USER MOD reduce.3.24.130724 H: found=0, std=0, add=788, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 784 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 86 THR OG1 : rot -132:sc= 0.71 USER MOD Set 1.2: A 100 LYS NZ :NH3+ -132:sc= -1.86! (180deg=-9.17!) USER MOD Set 2.1: A 61 HIS : no HE2:sc= -0.249 K(o=0.86,f=-12!) USER MOD Set 2.2: A 74 THR OG1 : rot -132:sc= 1.11 USER MOD Set 3.1: A 67 SER OG : rot 119:sc= 1.15 USER MOD Set 3.2: A 70 GLN : amide:sc= 0.867 K(o=2,f=-0.59) USER MOD Set 4.1: A 39 HIS : +bothHN:sc= -4.76! C(o=-11!,f=-27!) USER MOD Set 4.2: A 89 CYS SG : rot 51:sc= -2.73! USER MOD Set 4.3: A 92 HIS : no HD1:sc= -3.85 K(o=-11,f=-20!) USER MOD Set 5.1: A 1 GLU N :NH3+ -155:sc= -0.389 (180deg=-0.394!) USER MOD Set 5.2: A 3 TYR OH : rot 178:sc= 0.915 USER MOD Single : A 2 THR OG1 : rot 81:sc= -0.243 USER MOD Single : A 4 THR OG1 : rot 180:sc= 0.0608 USER MOD Single : A 6 LYS NZ :NH3+ -172:sc= -4.57! (180deg=-4.76!) USER MOD Single : A 9 SER OG : rot 180:sc= -0.831 USER MOD Single : A 11 LYS NZ :NH3+ -145:sc= -0.587! (180deg=-2.9!) USER MOD Single : A 20 LYS NZ :NH3+ 172:sc= 0.0937! (180deg=0.0425!) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ -163:sc= -5! (180deg=-5.01!) USER MOD Single : A 28 THR OG1 : rot 82:sc= -0.0368 USER MOD Single : A 33 ASN : amide:sc= -4.66! C(o=-4.7!,f=-7.4!) USER MOD Single : A 34 ASN : amide:sc= 1.21 K(o=1.2,f=-0.053) USER MOD Single : A 35 LYS NZ :NH3+ 150:sc= -0.0288 (180deg=-0.678) USER MOD Single : A 40 ASN : amide:sc= -1.69! C(o=-1.7!,f=-12!) USER MOD Single : A 48 ASN : amide:sc= -0.648 K(o=-0.65,f=-4.6!) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 SER OG : rot -149:sc= 0.512 USER MOD Single : A 57 LYS NZ :NH3+ 169:sc= -0.53! (180deg=-1.46!) USER MOD Single : A 58 SER OG : rot -149:sc= -0.571 USER MOD Single : A 60 SER OG : rot 88:sc= -1.28 USER MOD Single : A 62 LYS NZ :NH3+ -108:sc= -1.74! (180deg=-3.37!) USER MOD Single : A 63 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 66 MET CE :methyl -110:sc= -0.0498 (180deg=-0.177) USER MOD Single : A 71 SER OG : rot 156:sc= -1.59 USER MOD Single : A 72 THR OG1 : rot 180:sc= -0.04 USER MOD Single : A 73 SER OG : rot 46:sc= 0.878 USER MOD Single : A 75 THR OG1 : rot 180:sc= -0.331! USER MOD Single : A 85 TYR OH : rot 7:sc= 1.06 USER MOD Single : A 88 TYR OH : rot 28:sc= 1.06 USER MOD Single : A 97 MET CE :methyl -122:sc= -3.96! (180deg=-10.7!) USER MOD Single : A 102 THR OG1 : rot -47:sc= 0.694 USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 -4.846 -6.082 -15.429 1.00 0.00 N ATOM 2 CA GLU A 1 -3.622 -5.549 -16.089 1.00 0.00 C ATOM 3 C GLU A 1 -3.434 -4.076 -15.641 1.00 0.00 C ATOM 4 O GLU A 1 -4.268 -3.646 -14.879 1.00 0.00 O ATOM 5 CB GLU A 1 -3.863 -5.759 -17.628 1.00 0.00 C ATOM 6 CG GLU A 1 -2.652 -5.292 -18.512 1.00 0.00 C ATOM 7 CD GLU A 1 -1.306 -5.365 -17.818 1.00 0.00 C ATOM 8 OE1 GLU A 1 -1.045 -6.340 -17.145 1.00 0.00 O ATOM 9 OE2 GLU A 1 -0.625 -4.386 -18.005 1.00 0.00 O ATOM 0 H1 GLU A 1 -4.777 -7.117 -15.353 1.00 0.00 H new ATOM 0 H2 GLU A 1 -4.935 -5.670 -14.478 1.00 0.00 H new ATOM 0 H3 GLU A 1 -5.682 -5.832 -15.994 1.00 0.00 H new ATOM 0 HA GLU A 1 -2.691 -6.048 -15.820 1.00 0.00 H new ATOM 0 HB2 GLU A 1 -4.058 -6.814 -17.818 1.00 0.00 H new ATOM 0 HB3 GLU A 1 -4.756 -5.211 -17.928 1.00 0.00 H new ATOM 0 HG2 GLU A 1 -2.617 -5.906 -19.412 1.00 0.00 H new ATOM 0 HG3 GLU A 1 -2.827 -4.265 -18.833 1.00 0.00 H new ATOM 18 N THR A 2 -2.457 -3.322 -16.073 1.00 0.00 N ATOM 19 CA THR A 2 -2.209 -1.858 -15.653 1.00 0.00 C ATOM 20 C THR A 2 -3.423 -1.039 -15.146 1.00 0.00 C ATOM 21 O THR A 2 -3.994 -0.194 -15.802 1.00 0.00 O ATOM 22 CB THR A 2 -1.533 -1.117 -16.842 1.00 0.00 C ATOM 23 OG1 THR A 2 -0.268 -1.745 -16.965 1.00 0.00 O ATOM 24 CG2 THR A 2 -1.019 0.247 -16.445 1.00 0.00 C ATOM 0 H THR A 2 -1.766 -3.662 -16.742 1.00 0.00 H new ATOM 0 HA THR A 2 -1.574 -1.928 -14.770 1.00 0.00 H new ATOM 0 HB THR A 2 -2.238 -1.102 -17.673 1.00 0.00 H new ATOM 0 HG1 THR A 2 -0.366 -2.583 -17.464 1.00 0.00 H new ATOM 0 HG21 THR A 2 -0.555 0.726 -17.307 1.00 0.00 H new ATOM 0 HG22 THR A 2 -1.848 0.860 -16.092 1.00 0.00 H new ATOM 0 HG23 THR A 2 -0.282 0.141 -15.649 1.00 0.00 H new ATOM 32 N TYR A 3 -3.781 -1.354 -13.921 1.00 0.00 N ATOM 33 CA TYR A 3 -4.932 -0.672 -13.219 1.00 0.00 C ATOM 34 C TYR A 3 -4.433 0.700 -12.688 1.00 0.00 C ATOM 35 O TYR A 3 -3.460 0.768 -11.964 1.00 0.00 O ATOM 36 CB TYR A 3 -5.424 -1.528 -12.007 1.00 0.00 C ATOM 37 CG TYR A 3 -5.787 -2.958 -12.406 1.00 0.00 C ATOM 38 CD1 TYR A 3 -7.044 -3.264 -12.880 1.00 0.00 C ATOM 39 CD2 TYR A 3 -4.848 -3.959 -12.303 1.00 0.00 C ATOM 40 CE1 TYR A 3 -7.351 -4.561 -13.248 1.00 0.00 C ATOM 41 CE2 TYR A 3 -5.165 -5.249 -12.670 1.00 0.00 C ATOM 42 CZ TYR A 3 -6.412 -5.548 -13.146 1.00 0.00 C ATOM 43 OH TYR A 3 -6.705 -6.824 -13.554 1.00 0.00 O ATOM 0 H TYR A 3 -3.317 -2.070 -13.362 1.00 0.00 H new ATOM 0 HA TYR A 3 -5.757 -0.548 -13.920 1.00 0.00 H new ATOM 0 HB2 TYR A 3 -4.645 -1.554 -11.245 1.00 0.00 H new ATOM 0 HB3 TYR A 3 -6.293 -1.048 -11.557 1.00 0.00 H new ATOM 0 HD1 TYR A 3 -7.791 -2.489 -12.964 1.00 0.00 H new ATOM 0 HD2 TYR A 3 -3.859 -3.733 -11.933 1.00 0.00 H new ATOM 0 HE1 TYR A 3 -8.338 -4.795 -13.618 1.00 0.00 H new ATOM 0 HE2 TYR A 3 -4.424 -6.029 -12.581 1.00 0.00 H new ATOM 0 HH TYR A 3 -5.915 -7.393 -13.442 1.00 0.00 H new ATOM 53 N THR A 4 -5.111 1.747 -13.047 1.00 0.00 N ATOM 54 CA THR A 4 -4.742 3.151 -12.615 1.00 0.00 C ATOM 55 C THR A 4 -4.786 3.551 -11.123 1.00 0.00 C ATOM 56 O THR A 4 -5.598 4.348 -10.688 1.00 0.00 O ATOM 57 CB THR A 4 -5.636 4.134 -13.420 1.00 0.00 C ATOM 58 OG1 THR A 4 -6.935 3.560 -13.421 1.00 0.00 O ATOM 59 CG2 THR A 4 -5.321 4.108 -14.899 1.00 0.00 C ATOM 0 H THR A 4 -5.938 1.703 -13.643 1.00 0.00 H new ATOM 0 HA THR A 4 -3.672 3.196 -12.820 1.00 0.00 H new ATOM 0 HB THR A 4 -5.513 5.126 -12.986 1.00 0.00 H new ATOM 0 HG1 THR A 4 -7.549 4.141 -13.917 1.00 0.00 H new ATOM 0 HG21 THR A 4 -5.970 4.811 -15.422 1.00 0.00 H new ATOM 0 HG22 THR A 4 -4.280 4.391 -15.054 1.00 0.00 H new ATOM 0 HG23 THR A 4 -5.486 3.103 -15.288 1.00 0.00 H new ATOM 67 N VAL A 5 -3.894 3.030 -10.325 1.00 0.00 N ATOM 68 CA VAL A 5 -3.896 3.386 -8.850 1.00 0.00 C ATOM 69 C VAL A 5 -3.285 4.786 -8.584 1.00 0.00 C ATOM 70 O VAL A 5 -2.448 5.296 -9.306 1.00 0.00 O ATOM 71 CB VAL A 5 -3.106 2.271 -8.080 1.00 0.00 C ATOM 72 CG1 VAL A 5 -3.186 2.515 -6.556 1.00 0.00 C ATOM 73 CG2 VAL A 5 -3.754 0.899 -8.331 1.00 0.00 C ATOM 0 H VAL A 5 -3.165 2.378 -10.614 1.00 0.00 H new ATOM 0 HA VAL A 5 -4.926 3.435 -8.495 1.00 0.00 H new ATOM 0 HB VAL A 5 -2.074 2.296 -8.431 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -2.634 1.734 -6.033 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -2.752 3.487 -6.320 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -4.229 2.496 -6.239 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -3.199 0.131 -7.793 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -4.786 0.914 -7.980 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -3.737 0.678 -9.398 1.00 0.00 H new ATOM 83 N LYS A 6 -3.729 5.415 -7.538 1.00 0.00 N ATOM 84 CA LYS A 6 -3.223 6.783 -7.176 1.00 0.00 C ATOM 85 C LYS A 6 -2.543 6.930 -5.806 1.00 0.00 C ATOM 86 O LYS A 6 -2.826 6.244 -4.848 1.00 0.00 O ATOM 87 CB LYS A 6 -4.469 7.732 -7.322 1.00 0.00 C ATOM 88 CG LYS A 6 -4.269 8.822 -8.425 1.00 0.00 C ATOM 89 CD LYS A 6 -3.724 8.217 -9.760 1.00 0.00 C ATOM 90 CE LYS A 6 -4.572 7.086 -10.324 1.00 0.00 C ATOM 91 NZ LYS A 6 -3.683 6.339 -11.255 1.00 0.00 N ATOM 0 H LYS A 6 -4.433 5.041 -6.902 1.00 0.00 H new ATOM 0 HA LYS A 6 -2.400 7.036 -7.845 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -5.349 7.135 -7.561 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -4.664 8.219 -6.366 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -5.218 9.322 -8.616 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -3.576 9.581 -8.062 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -3.655 9.011 -10.504 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -2.712 7.849 -9.592 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -4.938 6.437 -9.528 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -5.446 7.475 -10.846 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -4.241 5.634 -11.777 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -3.248 7.003 -11.927 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -2.938 5.858 -10.712 1.00 0.00 H new ATOM 105 N LEU A 7 -1.650 7.871 -5.796 1.00 0.00 N ATOM 106 CA LEU A 7 -0.849 8.209 -4.580 1.00 0.00 C ATOM 107 C LEU A 7 -1.335 9.601 -4.100 1.00 0.00 C ATOM 108 O LEU A 7 -0.624 10.591 -4.116 1.00 0.00 O ATOM 109 CB LEU A 7 0.651 8.221 -4.999 1.00 0.00 C ATOM 110 CG LEU A 7 0.972 7.123 -6.035 1.00 0.00 C ATOM 111 CD1 LEU A 7 2.328 7.437 -6.640 1.00 0.00 C ATOM 112 CD2 LEU A 7 1.069 5.786 -5.320 1.00 0.00 C ATOM 0 H LEU A 7 -1.430 8.445 -6.610 1.00 0.00 H new ATOM 0 HA LEU A 7 -0.969 7.494 -3.766 1.00 0.00 H new ATOM 0 HB2 LEU A 7 0.903 9.196 -5.415 1.00 0.00 H new ATOM 0 HB3 LEU A 7 1.275 8.080 -4.116 1.00 0.00 H new ATOM 0 HG LEU A 7 0.199 7.083 -6.802 1.00 0.00 H new ATOM 0 HD11 LEU A 7 2.582 6.676 -7.378 1.00 0.00 H new ATOM 0 HD12 LEU A 7 2.294 8.414 -7.123 1.00 0.00 H new ATOM 0 HD13 LEU A 7 3.083 7.447 -5.854 1.00 0.00 H new ATOM 0 HD21 LEU A 7 1.296 5.002 -6.043 1.00 0.00 H new ATOM 0 HD22 LEU A 7 1.861 5.830 -4.572 1.00 0.00 H new ATOM 0 HD23 LEU A 7 0.120 5.565 -4.831 1.00 0.00 H new ATOM 124 N GLY A 8 -2.565 9.630 -3.678 1.00 0.00 N ATOM 125 CA GLY A 8 -3.199 10.906 -3.183 1.00 0.00 C ATOM 126 C GLY A 8 -3.975 11.663 -4.260 1.00 0.00 C ATOM 127 O GLY A 8 -3.895 11.370 -5.434 1.00 0.00 O ATOM 0 H GLY A 8 -3.178 8.815 -3.650 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -3.873 10.671 -2.359 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -2.421 11.556 -2.783 1.00 0.00 H new ATOM 131 N SER A 9 -4.720 12.628 -3.820 1.00 0.00 N ATOM 132 CA SER A 9 -5.548 13.486 -4.741 1.00 0.00 C ATOM 133 C SER A 9 -5.139 14.975 -4.709 1.00 0.00 C ATOM 134 O SER A 9 -4.609 15.464 -5.686 1.00 0.00 O ATOM 135 CB SER A 9 -7.039 13.333 -4.341 1.00 0.00 C ATOM 136 OG SER A 9 -7.096 13.746 -2.975 1.00 0.00 O ATOM 0 H SER A 9 -4.801 12.876 -2.834 1.00 0.00 H new ATOM 0 HA SER A 9 -5.379 13.146 -5.763 1.00 0.00 H new ATOM 0 HB2 SER A 9 -7.682 13.951 -4.968 1.00 0.00 H new ATOM 0 HB3 SER A 9 -7.376 12.303 -4.457 1.00 0.00 H new ATOM 0 HG SER A 9 -8.018 13.677 -2.651 1.00 0.00 H new ATOM 142 N ASP A 10 -5.381 15.637 -3.616 1.00 0.00 N ATOM 143 CA ASP A 10 -5.037 17.091 -3.459 1.00 0.00 C ATOM 144 C ASP A 10 -4.198 17.473 -2.164 1.00 0.00 C ATOM 145 O ASP A 10 -3.515 16.651 -1.578 1.00 0.00 O ATOM 146 CB ASP A 10 -6.439 17.773 -3.564 1.00 0.00 C ATOM 147 CG ASP A 10 -6.381 19.242 -3.860 1.00 0.00 C ATOM 148 OD1 ASP A 10 -5.350 19.775 -4.222 1.00 0.00 O ATOM 149 OD2 ASP A 10 -7.417 19.846 -3.710 1.00 0.00 O ATOM 0 H ASP A 10 -5.818 15.223 -2.792 1.00 0.00 H new ATOM 0 HA ASP A 10 -4.332 17.434 -4.216 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -7.015 17.278 -4.345 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -6.976 17.622 -2.628 1.00 0.00 H new ATOM 154 N LYS A 11 -4.273 18.712 -1.742 1.00 0.00 N ATOM 155 CA LYS A 11 -3.524 19.247 -0.520 1.00 0.00 C ATOM 156 C LYS A 11 -3.615 18.444 0.829 1.00 0.00 C ATOM 157 O LYS A 11 -4.205 18.896 1.790 1.00 0.00 O ATOM 158 CB LYS A 11 -3.988 20.716 -0.202 1.00 0.00 C ATOM 159 CG LYS A 11 -3.867 21.647 -1.409 1.00 0.00 C ATOM 160 CD LYS A 11 -5.301 21.841 -1.953 1.00 0.00 C ATOM 161 CE LYS A 11 -5.244 22.430 -3.332 1.00 0.00 C ATOM 162 NZ LYS A 11 -6.580 22.177 -3.929 1.00 0.00 N ATOM 0 H LYS A 11 -4.845 19.418 -2.205 1.00 0.00 H new ATOM 0 HA LYS A 11 -2.487 19.156 -0.842 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -5.024 20.700 0.137 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -3.390 21.112 0.619 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -3.428 22.602 -1.121 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -3.218 21.214 -2.170 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -5.824 20.885 -1.977 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -5.866 22.496 -1.290 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -5.027 23.498 -3.294 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -4.456 21.966 -3.924 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -6.476 21.992 -4.947 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -7.015 21.352 -3.469 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -7.186 23.010 -3.789 1.00 0.00 H new ATOM 176 N GLY A 12 -3.040 17.276 0.898 1.00 0.00 N ATOM 177 CA GLY A 12 -3.093 16.458 2.183 1.00 0.00 C ATOM 178 C GLY A 12 -3.878 15.167 2.037 1.00 0.00 C ATOM 179 O GLY A 12 -3.724 14.231 2.793 1.00 0.00 O ATOM 0 H GLY A 12 -2.531 16.837 0.131 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -2.077 16.224 2.499 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -3.542 17.061 2.972 1.00 0.00 H new ATOM 183 N LEU A 13 -4.710 15.151 1.043 1.00 0.00 N ATOM 184 CA LEU A 13 -5.565 13.955 0.755 1.00 0.00 C ATOM 185 C LEU A 13 -4.661 12.853 0.132 1.00 0.00 C ATOM 186 O LEU A 13 -4.723 12.544 -1.040 1.00 0.00 O ATOM 187 CB LEU A 13 -6.685 14.411 -0.218 1.00 0.00 C ATOM 188 CG LEU A 13 -7.739 15.353 0.409 1.00 0.00 C ATOM 189 CD1 LEU A 13 -7.133 16.704 0.805 1.00 0.00 C ATOM 190 CD2 LEU A 13 -8.789 15.643 -0.661 1.00 0.00 C ATOM 0 H LEU A 13 -4.843 15.930 0.398 1.00 0.00 H new ATOM 0 HA LEU A 13 -6.027 13.543 1.652 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -6.226 14.916 -1.068 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -7.192 13.528 -0.607 1.00 0.00 H new ATOM 0 HG LEU A 13 -8.147 14.869 1.297 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -7.907 17.336 1.241 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -6.339 16.547 1.535 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -6.722 17.192 -0.079 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -9.551 16.307 -0.253 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -8.313 16.120 -1.518 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -9.253 14.709 -0.978 1.00 0.00 H new ATOM 202 N LEU A 14 -3.833 12.276 0.947 1.00 0.00 N ATOM 203 CA LEU A 14 -2.901 11.205 0.465 1.00 0.00 C ATOM 204 C LEU A 14 -3.409 9.745 0.556 1.00 0.00 C ATOM 205 O LEU A 14 -2.893 8.917 1.273 1.00 0.00 O ATOM 206 CB LEU A 14 -1.579 11.415 1.267 1.00 0.00 C ATOM 207 CG LEU A 14 -0.950 12.792 0.961 1.00 0.00 C ATOM 208 CD1 LEU A 14 0.341 12.926 1.767 1.00 0.00 C ATOM 209 CD2 LEU A 14 -0.553 12.869 -0.512 1.00 0.00 C ATOM 0 H LEU A 14 -3.754 12.497 1.940 1.00 0.00 H new ATOM 0 HA LEU A 14 -2.778 11.318 -0.612 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -1.782 11.335 2.335 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -0.870 10.625 1.017 1.00 0.00 H new ATOM 0 HG LEU A 14 -1.671 13.571 1.208 1.00 0.00 H new ATOM 0 HD11 LEU A 14 0.799 13.894 1.563 1.00 0.00 H new ATOM 0 HD12 LEU A 14 0.116 12.849 2.831 1.00 0.00 H new ATOM 0 HD13 LEU A 14 1.031 12.131 1.484 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -0.110 13.843 -0.719 1.00 0.00 H new ATOM 0 HD22 LEU A 14 0.172 12.086 -0.735 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -1.437 12.732 -1.135 1.00 0.00 H new ATOM 221 N VAL A 15 -4.428 9.451 -0.200 1.00 0.00 N ATOM 222 CA VAL A 15 -4.982 8.046 -0.179 1.00 0.00 C ATOM 223 C VAL A 15 -4.353 7.172 -1.295 1.00 0.00 C ATOM 224 O VAL A 15 -3.749 7.668 -2.226 1.00 0.00 O ATOM 225 CB VAL A 15 -6.532 8.111 -0.360 1.00 0.00 C ATOM 226 CG1 VAL A 15 -7.150 8.910 0.795 1.00 0.00 C ATOM 227 CG2 VAL A 15 -6.911 8.828 -1.669 1.00 0.00 C ATOM 0 H VAL A 15 -4.903 10.102 -0.826 1.00 0.00 H new ATOM 0 HA VAL A 15 -4.734 7.586 0.778 1.00 0.00 H new ATOM 0 HB VAL A 15 -6.904 7.087 -0.380 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -8.232 8.955 0.668 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -6.915 8.422 1.741 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -6.742 9.921 0.797 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -7.996 8.857 -1.767 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -6.520 9.845 -1.653 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -6.485 8.289 -2.515 1.00 0.00 H new ATOM 237 N PHE A 16 -4.524 5.889 -1.170 1.00 0.00 N ATOM 238 CA PHE A 16 -3.968 4.902 -2.171 1.00 0.00 C ATOM 239 C PHE A 16 -5.041 4.157 -3.012 1.00 0.00 C ATOM 240 O PHE A 16 -4.887 2.993 -3.333 1.00 0.00 O ATOM 241 CB PHE A 16 -3.096 3.928 -1.327 1.00 0.00 C ATOM 242 CG PHE A 16 -1.591 4.118 -1.549 1.00 0.00 C ATOM 243 CD1 PHE A 16 -0.992 5.356 -1.602 1.00 0.00 C ATOM 244 CD2 PHE A 16 -0.809 2.998 -1.677 1.00 0.00 C ATOM 245 CE1 PHE A 16 0.374 5.456 -1.782 1.00 0.00 C ATOM 246 CE2 PHE A 16 0.547 3.087 -1.854 1.00 0.00 C ATOM 247 CZ PHE A 16 1.142 4.319 -1.905 1.00 0.00 C ATOM 0 H PHE A 16 -5.037 5.459 -0.401 1.00 0.00 H new ATOM 0 HA PHE A 16 -3.393 5.424 -2.936 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -3.322 4.071 -0.270 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -3.366 2.901 -1.574 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -1.590 6.250 -1.503 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -1.273 2.024 -1.637 1.00 0.00 H new ATOM 0 HE1 PHE A 16 0.841 6.429 -1.826 1.00 0.00 H new ATOM 0 HE2 PHE A 16 1.142 2.191 -1.953 1.00 0.00 H new ATOM 0 HZ PHE A 16 2.210 4.399 -2.041 1.00 0.00 H new ATOM 257 N GLU A 17 -6.093 4.839 -3.366 1.00 0.00 N ATOM 258 CA GLU A 17 -7.173 4.178 -4.174 1.00 0.00 C ATOM 259 C GLU A 17 -6.808 3.714 -5.619 1.00 0.00 C ATOM 260 O GLU A 17 -5.900 4.233 -6.238 1.00 0.00 O ATOM 261 CB GLU A 17 -8.390 5.148 -4.233 1.00 0.00 C ATOM 262 CG GLU A 17 -9.268 5.067 -2.917 1.00 0.00 C ATOM 263 CD GLU A 17 -9.801 3.675 -2.618 1.00 0.00 C ATOM 264 OE1 GLU A 17 -9.100 2.928 -1.971 1.00 0.00 O ATOM 265 OE2 GLU A 17 -10.892 3.346 -3.035 1.00 0.00 O ATOM 0 H GLU A 17 -6.258 5.819 -3.136 1.00 0.00 H new ATOM 0 HA GLU A 17 -7.382 3.243 -3.654 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -8.035 6.169 -4.371 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -9.007 4.905 -5.098 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -8.670 5.406 -2.071 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -10.108 5.755 -3.009 1.00 0.00 H new ATOM 272 N PRO A 18 -7.530 2.739 -6.134 1.00 0.00 N ATOM 273 CA PRO A 18 -8.467 1.833 -5.376 1.00 0.00 C ATOM 274 C PRO A 18 -7.962 1.087 -4.100 1.00 0.00 C ATOM 275 O PRO A 18 -8.762 0.424 -3.478 1.00 0.00 O ATOM 276 CB PRO A 18 -8.969 0.869 -6.486 1.00 0.00 C ATOM 277 CG PRO A 18 -7.816 0.904 -7.518 1.00 0.00 C ATOM 278 CD PRO A 18 -7.503 2.395 -7.581 1.00 0.00 C ATOM 0 HA PRO A 18 -9.227 2.441 -4.886 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -9.138 -0.137 -6.102 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -9.910 1.207 -6.920 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -6.956 0.319 -7.191 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -8.121 0.509 -8.487 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -6.534 2.596 -8.037 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -8.246 2.951 -8.153 1.00 0.00 H new ATOM 286 N ALA A 19 -6.707 1.195 -3.747 1.00 0.00 N ATOM 287 CA ALA A 19 -6.063 0.539 -2.538 1.00 0.00 C ATOM 288 C ALA A 19 -6.052 -1.009 -2.468 1.00 0.00 C ATOM 289 O ALA A 19 -5.038 -1.600 -2.167 1.00 0.00 O ATOM 290 CB ALA A 19 -6.756 1.147 -1.288 1.00 0.00 C ATOM 0 H ALA A 19 -6.044 1.753 -4.285 1.00 0.00 H new ATOM 0 HA ALA A 19 -4.997 0.756 -2.605 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -6.329 0.708 -0.386 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -6.601 2.226 -1.275 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -7.824 0.934 -1.325 1.00 0.00 H new ATOM 296 N LYS A 20 -7.163 -1.619 -2.744 1.00 0.00 N ATOM 297 CA LYS A 20 -7.317 -3.109 -2.725 1.00 0.00 C ATOM 298 C LYS A 20 -7.409 -3.578 -4.207 1.00 0.00 C ATOM 299 O LYS A 20 -8.426 -3.463 -4.862 1.00 0.00 O ATOM 300 CB LYS A 20 -8.620 -3.448 -1.866 1.00 0.00 C ATOM 301 CG LYS A 20 -9.915 -2.685 -2.313 1.00 0.00 C ATOM 302 CD LYS A 20 -10.023 -1.287 -1.604 1.00 0.00 C ATOM 303 CE LYS A 20 -11.057 -0.410 -2.338 1.00 0.00 C ATOM 304 NZ LYS A 20 -10.736 1.012 -2.042 1.00 0.00 N ATOM 0 H LYS A 20 -8.019 -1.125 -2.996 1.00 0.00 H new ATOM 0 HA LYS A 20 -6.479 -3.631 -2.262 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -8.808 -4.520 -1.924 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -8.420 -3.215 -0.820 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -9.905 -2.548 -3.394 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -10.794 -3.285 -2.076 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -10.317 -1.418 -0.563 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -9.051 -0.794 -1.601 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -11.021 -0.595 -3.412 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -12.067 -0.651 -2.006 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -11.330 1.632 -2.629 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -10.919 1.207 -1.037 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -9.734 1.193 -2.252 1.00 0.00 H new ATOM 318 N LEU A 21 -6.318 -4.096 -4.704 1.00 0.00 N ATOM 319 CA LEU A 21 -6.266 -4.580 -6.133 1.00 0.00 C ATOM 320 C LEU A 21 -6.175 -6.112 -6.359 1.00 0.00 C ATOM 321 O LEU A 21 -5.116 -6.698 -6.248 1.00 0.00 O ATOM 322 CB LEU A 21 -5.054 -3.914 -6.802 1.00 0.00 C ATOM 323 CG LEU A 21 -5.122 -3.962 -8.371 1.00 0.00 C ATOM 324 CD1 LEU A 21 -3.692 -3.869 -8.884 1.00 0.00 C ATOM 325 CD2 LEU A 21 -5.799 -5.220 -8.990 1.00 0.00 C ATOM 0 H LEU A 21 -5.448 -4.210 -4.184 1.00 0.00 H new ATOM 0 HA LEU A 21 -7.228 -4.304 -6.565 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -4.991 -2.875 -6.477 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -4.142 -4.409 -6.467 1.00 0.00 H new ATOM 0 HG LEU A 21 -5.758 -3.131 -8.677 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -3.694 -3.899 -9.974 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -3.245 -2.934 -8.547 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -3.112 -4.708 -8.499 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -5.788 -5.142 -10.077 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -5.254 -6.114 -8.685 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -6.830 -5.287 -8.642 1.00 0.00 H new ATOM 337 N THR A 22 -7.258 -6.750 -6.679 1.00 0.00 N ATOM 338 CA THR A 22 -7.190 -8.242 -6.911 1.00 0.00 C ATOM 339 C THR A 22 -6.663 -8.598 -8.317 1.00 0.00 C ATOM 340 O THR A 22 -7.410 -8.976 -9.197 1.00 0.00 O ATOM 341 CB THR A 22 -8.589 -8.858 -6.742 1.00 0.00 C ATOM 342 OG1 THR A 22 -8.942 -8.502 -5.418 1.00 0.00 O ATOM 343 CG2 THR A 22 -8.532 -10.372 -6.618 1.00 0.00 C ATOM 0 H THR A 22 -8.179 -6.327 -6.792 1.00 0.00 H new ATOM 0 HA THR A 22 -6.494 -8.646 -6.176 1.00 0.00 H new ATOM 0 HB THR A 22 -9.226 -8.544 -7.569 1.00 0.00 H new ATOM 0 HG1 THR A 22 -9.833 -8.853 -5.211 1.00 0.00 H new ATOM 0 HG21 THR A 22 -9.542 -10.766 -6.500 1.00 0.00 H new ATOM 0 HG22 THR A 22 -8.080 -10.794 -7.516 1.00 0.00 H new ATOM 0 HG23 THR A 22 -7.933 -10.644 -5.749 1.00 0.00 H new ATOM 351 N ILE A 23 -5.375 -8.460 -8.504 1.00 0.00 N ATOM 352 CA ILE A 23 -4.767 -8.787 -9.841 1.00 0.00 C ATOM 353 C ILE A 23 -4.663 -10.296 -10.038 1.00 0.00 C ATOM 354 O ILE A 23 -5.015 -11.066 -9.162 1.00 0.00 O ATOM 355 CB ILE A 23 -3.292 -8.277 -10.026 1.00 0.00 C ATOM 356 CG1 ILE A 23 -2.329 -8.832 -8.955 1.00 0.00 C ATOM 357 CG2 ILE A 23 -3.203 -6.785 -9.998 1.00 0.00 C ATOM 358 CD1 ILE A 23 -0.914 -9.042 -9.570 1.00 0.00 C ATOM 0 H ILE A 23 -4.716 -8.137 -7.796 1.00 0.00 H new ATOM 0 HA ILE A 23 -5.432 -8.293 -10.549 1.00 0.00 H new ATOM 0 HB ILE A 23 -2.991 -8.648 -11.006 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -2.270 -8.141 -8.114 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -2.710 -9.776 -8.566 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -2.165 -6.480 -10.130 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -3.808 -6.369 -10.803 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -3.571 -6.416 -9.040 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -0.240 -9.434 -8.808 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -0.978 -9.750 -10.396 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -0.532 -8.089 -9.937 1.00 0.00 H new ATOM 370 N LYS A 24 -4.176 -10.697 -11.181 1.00 0.00 N ATOM 371 CA LYS A 24 -4.039 -12.155 -11.408 1.00 0.00 C ATOM 372 C LYS A 24 -2.524 -12.518 -11.361 1.00 0.00 C ATOM 373 O LYS A 24 -1.712 -11.624 -11.496 1.00 0.00 O ATOM 374 CB LYS A 24 -4.717 -12.486 -12.795 1.00 0.00 C ATOM 375 CG LYS A 24 -4.127 -11.748 -14.047 1.00 0.00 C ATOM 376 CD LYS A 24 -2.669 -12.227 -14.359 1.00 0.00 C ATOM 377 CE LYS A 24 -2.226 -11.878 -15.792 1.00 0.00 C ATOM 378 NZ LYS A 24 -1.914 -10.425 -15.827 1.00 0.00 N ATOM 0 H LYS A 24 -3.875 -10.093 -11.946 1.00 0.00 H new ATOM 0 HA LYS A 24 -4.535 -12.751 -10.642 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -4.644 -13.560 -12.964 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -5.778 -12.246 -12.724 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -4.764 -11.930 -14.912 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -4.128 -10.672 -13.871 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -1.980 -11.770 -13.648 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -2.606 -13.306 -14.216 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -1.352 -12.464 -16.075 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -3.015 -12.117 -16.505 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -1.893 -10.098 -16.814 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -2.644 -9.900 -15.304 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -0.986 -10.258 -15.387 1.00 0.00 H new ATOM 392 N PRO A 25 -2.149 -13.764 -11.171 1.00 0.00 N ATOM 393 CA PRO A 25 -0.727 -14.232 -11.351 1.00 0.00 C ATOM 394 C PRO A 25 0.155 -13.533 -12.441 1.00 0.00 C ATOM 395 O PRO A 25 0.431 -14.103 -13.478 1.00 0.00 O ATOM 396 CB PRO A 25 -0.928 -15.776 -11.544 1.00 0.00 C ATOM 397 CG PRO A 25 -2.471 -15.962 -11.703 1.00 0.00 C ATOM 398 CD PRO A 25 -3.043 -14.891 -10.781 1.00 0.00 C ATOM 0 HA PRO A 25 -0.107 -13.955 -10.498 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -0.394 -16.137 -12.423 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -0.549 -16.334 -10.688 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -2.790 -15.818 -12.735 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -2.790 -16.961 -11.407 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -4.095 -14.683 -10.975 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -2.959 -15.152 -9.726 1.00 0.00 H new ATOM 406 N GLY A 26 0.561 -12.309 -12.206 1.00 0.00 N ATOM 407 CA GLY A 26 1.424 -11.573 -13.213 1.00 0.00 C ATOM 408 C GLY A 26 0.651 -10.532 -14.009 1.00 0.00 C ATOM 409 O GLY A 26 0.552 -10.610 -15.216 1.00 0.00 O ATOM 0 H GLY A 26 0.338 -11.779 -11.364 1.00 0.00 H new ATOM 0 HA2 GLY A 26 2.247 -11.085 -12.690 1.00 0.00 H new ATOM 0 HA3 GLY A 26 1.866 -12.294 -13.901 1.00 0.00 H new ATOM 413 N ASP A 27 0.104 -9.584 -13.311 1.00 0.00 N ATOM 414 CA ASP A 27 -0.702 -8.467 -13.907 1.00 0.00 C ATOM 415 C ASP A 27 -0.049 -7.095 -13.551 1.00 0.00 C ATOM 416 O ASP A 27 0.657 -7.001 -12.564 1.00 0.00 O ATOM 417 CB ASP A 27 -2.102 -8.672 -13.288 1.00 0.00 C ATOM 418 CG ASP A 27 -3.312 -8.382 -14.101 1.00 0.00 C ATOM 419 OD1 ASP A 27 -3.247 -8.335 -15.304 1.00 0.00 O ATOM 420 OD2 ASP A 27 -4.316 -8.219 -13.461 1.00 0.00 O ATOM 0 H ASP A 27 0.183 -9.529 -12.296 1.00 0.00 H new ATOM 0 HA ASP A 27 -0.754 -8.469 -14.996 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -2.167 -9.711 -12.965 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -2.156 -8.055 -12.391 1.00 0.00 H new ATOM 425 N THR A 28 -0.305 -6.090 -14.335 1.00 0.00 N ATOM 426 CA THR A 28 0.289 -4.741 -14.042 1.00 0.00 C ATOM 427 C THR A 28 -0.601 -3.701 -13.335 1.00 0.00 C ATOM 428 O THR A 28 -1.813 -3.641 -13.421 1.00 0.00 O ATOM 429 CB THR A 28 0.757 -4.082 -15.333 1.00 0.00 C ATOM 430 OG1 THR A 28 1.507 -5.071 -16.003 1.00 0.00 O ATOM 431 CG2 THR A 28 1.863 -3.074 -15.144 1.00 0.00 C ATOM 0 H THR A 28 -0.896 -6.134 -15.165 1.00 0.00 H new ATOM 0 HA THR A 28 1.086 -4.993 -13.343 1.00 0.00 H new ATOM 0 HB THR A 28 -0.131 -3.650 -15.795 1.00 0.00 H new ATOM 0 HG1 THR A 28 0.900 -5.677 -16.477 1.00 0.00 H new ATOM 0 HG21 THR A 28 2.139 -2.651 -16.110 1.00 0.00 H new ATOM 0 HG22 THR A 28 1.520 -2.277 -14.483 1.00 0.00 H new ATOM 0 HG23 THR A 28 2.730 -3.564 -14.702 1.00 0.00 H new ATOM 439 N VAL A 29 0.075 -2.882 -12.595 1.00 0.00 N ATOM 440 CA VAL A 29 -0.504 -1.759 -11.802 1.00 0.00 C ATOM 441 C VAL A 29 0.111 -0.359 -12.126 1.00 0.00 C ATOM 442 O VAL A 29 1.295 -0.282 -12.403 1.00 0.00 O ATOM 443 CB VAL A 29 -0.304 -2.122 -10.301 1.00 0.00 C ATOM 444 CG1 VAL A 29 1.145 -1.962 -9.828 1.00 0.00 C ATOM 445 CG2 VAL A 29 -1.187 -1.229 -9.416 1.00 0.00 C ATOM 0 H VAL A 29 1.088 -2.950 -12.499 1.00 0.00 H new ATOM 0 HA VAL A 29 -1.557 -1.655 -12.062 1.00 0.00 H new ATOM 0 HB VAL A 29 -0.581 -3.172 -10.210 1.00 0.00 H new ATOM 0 HG11 VAL A 29 1.215 -2.231 -8.774 1.00 0.00 H new ATOM 0 HG12 VAL A 29 1.793 -2.615 -10.413 1.00 0.00 H new ATOM 0 HG13 VAL A 29 1.459 -0.926 -9.960 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -1.038 -1.493 -8.369 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -0.917 -0.184 -9.569 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -2.234 -1.375 -9.681 1.00 0.00 H new ATOM 455 N GLU A 30 -0.675 0.681 -12.089 1.00 0.00 N ATOM 456 CA GLU A 30 -0.206 2.074 -12.368 1.00 0.00 C ATOM 457 C GLU A 30 -0.277 2.918 -11.070 1.00 0.00 C ATOM 458 O GLU A 30 -1.313 2.998 -10.439 1.00 0.00 O ATOM 459 CB GLU A 30 -1.122 2.591 -13.511 1.00 0.00 C ATOM 460 CG GLU A 30 -0.948 4.133 -13.867 1.00 0.00 C ATOM 461 CD GLU A 30 -1.758 5.108 -13.030 1.00 0.00 C ATOM 462 OE1 GLU A 30 -1.332 5.471 -11.958 1.00 0.00 O ATOM 463 OE2 GLU A 30 -2.817 5.493 -13.479 1.00 0.00 O ATOM 0 H GLU A 30 -1.669 0.621 -11.867 1.00 0.00 H new ATOM 0 HA GLU A 30 0.835 2.133 -12.684 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -0.927 2.002 -14.407 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -2.161 2.413 -13.233 1.00 0.00 H new ATOM 0 HG2 GLU A 30 0.107 4.391 -13.769 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -1.215 4.276 -14.914 1.00 0.00 H new ATOM 470 N PHE A 31 0.828 3.503 -10.705 1.00 0.00 N ATOM 471 CA PHE A 31 0.912 4.359 -9.460 1.00 0.00 C ATOM 472 C PHE A 31 1.168 5.883 -9.730 1.00 0.00 C ATOM 473 O PHE A 31 2.289 6.348 -9.649 1.00 0.00 O ATOM 474 CB PHE A 31 2.052 3.772 -8.570 1.00 0.00 C ATOM 475 CG PHE A 31 1.757 2.390 -7.956 1.00 0.00 C ATOM 476 CD1 PHE A 31 0.616 2.146 -7.218 1.00 0.00 C ATOM 477 CD2 PHE A 31 2.668 1.366 -8.122 1.00 0.00 C ATOM 478 CE1 PHE A 31 0.394 0.904 -6.653 1.00 0.00 C ATOM 479 CE2 PHE A 31 2.451 0.124 -7.561 1.00 0.00 C ATOM 480 CZ PHE A 31 1.312 -0.109 -6.825 1.00 0.00 C ATOM 0 H PHE A 31 1.704 3.430 -11.222 1.00 0.00 H new ATOM 0 HA PHE A 31 -0.060 4.325 -8.968 1.00 0.00 H new ATOM 0 HB2 PHE A 31 2.959 3.699 -9.170 1.00 0.00 H new ATOM 0 HB3 PHE A 31 2.259 4.474 -7.762 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -0.110 2.933 -7.081 1.00 0.00 H new ATOM 0 HD2 PHE A 31 3.564 1.540 -8.700 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -0.501 0.727 -6.075 1.00 0.00 H new ATOM 0 HE2 PHE A 31 3.175 -0.665 -7.700 1.00 0.00 H new ATOM 0 HZ PHE A 31 1.139 -1.080 -6.385 1.00 0.00 H new ATOM 490 N LEU A 32 0.149 6.645 -10.036 1.00 0.00 N ATOM 491 CA LEU A 32 0.337 8.116 -10.310 1.00 0.00 C ATOM 492 C LEU A 32 0.130 9.034 -9.060 1.00 0.00 C ATOM 493 O LEU A 32 -0.810 8.900 -8.301 1.00 0.00 O ATOM 494 CB LEU A 32 -0.660 8.484 -11.475 1.00 0.00 C ATOM 495 CG LEU A 32 -0.342 9.819 -12.198 1.00 0.00 C ATOM 496 CD1 LEU A 32 -1.199 9.883 -13.458 1.00 0.00 C ATOM 497 CD2 LEU A 32 -0.770 11.001 -11.343 1.00 0.00 C ATOM 0 H LEU A 32 -0.814 6.316 -10.110 1.00 0.00 H new ATOM 0 HA LEU A 32 1.374 8.297 -10.592 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -0.654 7.678 -12.209 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -1.670 8.538 -11.068 1.00 0.00 H new ATOM 0 HG LEU A 32 0.727 9.861 -12.404 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -0.997 10.813 -13.989 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -0.961 9.038 -14.103 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -2.253 9.844 -13.183 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -0.540 11.930 -11.865 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -1.843 10.946 -11.157 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -0.235 10.976 -10.394 1.00 0.00 H new ATOM 509 N ASN A 33 1.020 9.972 -8.883 1.00 0.00 N ATOM 510 CA ASN A 33 0.984 10.950 -7.726 1.00 0.00 C ATOM 511 C ASN A 33 0.039 12.179 -7.918 1.00 0.00 C ATOM 512 O ASN A 33 0.331 13.270 -7.470 1.00 0.00 O ATOM 513 CB ASN A 33 2.437 11.390 -7.548 1.00 0.00 C ATOM 514 CG ASN A 33 2.851 12.331 -8.640 1.00 0.00 C ATOM 515 OD1 ASN A 33 2.683 12.091 -9.811 1.00 0.00 O ATOM 516 ND2 ASN A 33 3.401 13.439 -8.309 1.00 0.00 N ATOM 0 H ASN A 33 1.809 10.116 -9.514 1.00 0.00 H new ATOM 0 HA ASN A 33 0.563 10.461 -6.848 1.00 0.00 H new ATOM 0 HB2 ASN A 33 2.558 11.875 -6.580 1.00 0.00 H new ATOM 0 HB3 ASN A 33 3.088 10.516 -7.550 1.00 0.00 H new ATOM 0 HD21 ASN A 33 3.689 14.101 -9.030 1.00 0.00 H new ATOM 0 HD22 ASN A 33 3.551 13.660 -7.325 1.00 0.00 H new ATOM 523 N ASN A 34 -1.072 11.930 -8.549 1.00 0.00 N ATOM 524 CA ASN A 34 -2.120 12.972 -8.864 1.00 0.00 C ATOM 525 C ASN A 34 -1.684 14.465 -8.721 1.00 0.00 C ATOM 526 O ASN A 34 -1.406 15.109 -9.710 1.00 0.00 O ATOM 527 CB ASN A 34 -3.343 12.689 -7.956 1.00 0.00 C ATOM 528 CG ASN A 34 -4.555 13.317 -8.603 1.00 0.00 C ATOM 529 OD1 ASN A 34 -5.106 12.803 -9.544 1.00 0.00 O ATOM 530 ND2 ASN A 34 -5.034 14.427 -8.177 1.00 0.00 N ATOM 0 H ASN A 34 -1.319 10.998 -8.882 1.00 0.00 H new ATOM 0 HA ASN A 34 -2.340 12.872 -9.927 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -3.488 11.616 -7.835 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -3.184 13.104 -6.961 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -5.849 14.839 -8.632 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -4.600 14.898 -7.383 1.00 0.00 H new ATOM 537 N LYS A 35 -1.626 14.993 -7.526 1.00 0.00 N ATOM 538 CA LYS A 35 -1.207 16.431 -7.377 1.00 0.00 C ATOM 539 C LYS A 35 -0.252 16.710 -6.178 1.00 0.00 C ATOM 540 O LYS A 35 -0.142 17.822 -5.692 1.00 0.00 O ATOM 541 CB LYS A 35 -2.580 17.181 -7.332 1.00 0.00 C ATOM 542 CG LYS A 35 -2.477 18.659 -7.767 1.00 0.00 C ATOM 543 CD LYS A 35 -2.186 19.571 -6.531 1.00 0.00 C ATOM 544 CE LYS A 35 -0.919 20.390 -6.721 1.00 0.00 C ATOM 545 NZ LYS A 35 -1.148 21.230 -7.942 1.00 0.00 N ATOM 0 H LYS A 35 -1.845 14.506 -6.657 1.00 0.00 H new ATOM 0 HA LYS A 35 -0.574 16.778 -8.193 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -3.290 16.666 -7.980 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -2.980 17.134 -6.319 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -1.684 18.773 -8.506 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -3.406 18.970 -8.246 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -3.030 20.240 -6.366 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -2.089 18.953 -5.638 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -0.724 21.014 -5.849 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -0.052 19.743 -6.850 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -0.616 22.119 -7.856 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -0.825 20.713 -8.785 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -2.162 21.441 -8.033 1.00 0.00 H new ATOM 559 N VAL A 36 0.438 15.689 -5.759 1.00 0.00 N ATOM 560 CA VAL A 36 1.399 15.797 -4.597 1.00 0.00 C ATOM 561 C VAL A 36 2.701 14.934 -4.748 1.00 0.00 C ATOM 562 O VAL A 36 2.655 13.824 -5.247 1.00 0.00 O ATOM 563 CB VAL A 36 0.631 15.387 -3.290 1.00 0.00 C ATOM 564 CG1 VAL A 36 1.565 15.547 -2.079 1.00 0.00 C ATOM 565 CG2 VAL A 36 -0.563 16.317 -3.026 1.00 0.00 C ATOM 0 H VAL A 36 0.384 14.759 -6.174 1.00 0.00 H new ATOM 0 HA VAL A 36 1.744 16.830 -4.559 1.00 0.00 H new ATOM 0 HB VAL A 36 0.293 14.360 -3.425 1.00 0.00 H new ATOM 0 HG11 VAL A 36 1.034 15.263 -1.170 1.00 0.00 H new ATOM 0 HG12 VAL A 36 2.437 14.906 -2.205 1.00 0.00 H new ATOM 0 HG13 VAL A 36 1.886 16.586 -2.002 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -1.072 16.005 -2.114 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -0.208 17.341 -2.911 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -1.257 16.265 -3.865 1.00 0.00 H new ATOM 575 N PRO A 37 3.825 15.463 -4.319 1.00 0.00 N ATOM 576 CA PRO A 37 5.074 14.691 -4.002 1.00 0.00 C ATOM 577 C PRO A 37 5.339 14.313 -2.488 1.00 0.00 C ATOM 578 O PRO A 37 4.588 14.640 -1.588 1.00 0.00 O ATOM 579 CB PRO A 37 6.103 15.619 -4.612 1.00 0.00 C ATOM 580 CG PRO A 37 5.595 17.005 -4.076 1.00 0.00 C ATOM 581 CD PRO A 37 4.040 16.920 -4.139 1.00 0.00 C ATOM 0 HA PRO A 37 5.056 13.674 -4.394 1.00 0.00 H new ATOM 0 HB2 PRO A 37 7.115 15.392 -4.278 1.00 0.00 H new ATOM 0 HB3 PRO A 37 6.109 15.573 -5.701 1.00 0.00 H new ATOM 0 HG2 PRO A 37 5.939 17.184 -3.057 1.00 0.00 H new ATOM 0 HG3 PRO A 37 5.970 17.826 -4.688 1.00 0.00 H new ATOM 0 HD2 PRO A 37 3.572 17.293 -3.228 1.00 0.00 H new ATOM 0 HD3 PRO A 37 3.632 17.499 -4.967 1.00 0.00 H new ATOM 589 N PRO A 38 6.416 13.608 -2.218 1.00 0.00 N ATOM 590 CA PRO A 38 7.075 12.593 -3.095 1.00 0.00 C ATOM 591 C PRO A 38 6.715 11.138 -2.633 1.00 0.00 C ATOM 592 O PRO A 38 6.773 10.798 -1.467 1.00 0.00 O ATOM 593 CB PRO A 38 8.518 13.014 -2.931 1.00 0.00 C ATOM 594 CG PRO A 38 8.609 13.285 -1.384 1.00 0.00 C ATOM 595 CD PRO A 38 7.186 13.767 -0.953 1.00 0.00 C ATOM 0 HA PRO A 38 6.775 12.561 -4.142 1.00 0.00 H new ATOM 0 HB2 PRO A 38 9.209 12.233 -3.249 1.00 0.00 H new ATOM 0 HB3 PRO A 38 8.752 13.904 -3.515 1.00 0.00 H new ATOM 0 HG2 PRO A 38 8.896 12.382 -0.845 1.00 0.00 H new ATOM 0 HG3 PRO A 38 9.362 14.041 -1.163 1.00 0.00 H new ATOM 0 HD2 PRO A 38 6.776 13.161 -0.145 1.00 0.00 H new ATOM 0 HD3 PRO A 38 7.192 14.800 -0.605 1.00 0.00 H new ATOM 603 N HIS A 39 6.360 10.287 -3.552 1.00 0.00 N ATOM 604 CA HIS A 39 5.987 8.867 -3.170 1.00 0.00 C ATOM 605 C HIS A 39 7.076 7.795 -3.495 1.00 0.00 C ATOM 606 O HIS A 39 7.317 7.534 -4.654 1.00 0.00 O ATOM 607 CB HIS A 39 4.669 8.503 -3.915 1.00 0.00 C ATOM 608 CG HIS A 39 3.592 9.592 -3.815 1.00 0.00 C ATOM 609 ND1 HIS A 39 2.673 9.682 -2.857 1.00 0.00 N ATOM 610 CD2 HIS A 39 3.440 10.619 -4.713 1.00 0.00 C ATOM 611 CE1 HIS A 39 1.978 10.757 -3.188 1.00 0.00 C ATOM 612 NE2 HIS A 39 2.434 11.291 -4.264 1.00 0.00 N ATOM 0 H HIS A 39 6.307 10.496 -4.549 1.00 0.00 H new ATOM 0 HA HIS A 39 5.876 8.848 -2.086 1.00 0.00 H new ATOM 0 HB2 HIS A 39 4.893 8.319 -4.966 1.00 0.00 H new ATOM 0 HB3 HIS A 39 4.274 7.573 -3.506 1.00 0.00 H new ATOM 0 HD1 HIS A 39 2.537 9.066 -2.055 1.00 0.00 H new ATOM 0 HD2 HIS A 39 4.029 10.819 -5.596 1.00 0.00 H new ATOM 0 HE1 HIS A 39 1.137 11.137 -2.627 1.00 0.00 H new ATOM 0 HE2 HIS A 39 2.054 12.130 -4.702 1.00 0.00 H new ATOM 620 N ASN A 40 7.699 7.216 -2.499 1.00 0.00 N ATOM 621 CA ASN A 40 8.760 6.160 -2.702 1.00 0.00 C ATOM 622 C ASN A 40 8.011 4.895 -2.215 1.00 0.00 C ATOM 623 O ASN A 40 7.789 4.791 -1.025 1.00 0.00 O ATOM 624 CB ASN A 40 9.989 6.534 -1.793 1.00 0.00 C ATOM 625 CG ASN A 40 11.306 6.172 -2.445 1.00 0.00 C ATOM 626 OD1 ASN A 40 11.574 6.515 -3.562 1.00 0.00 O ATOM 627 ND2 ASN A 40 12.213 5.496 -1.857 1.00 0.00 N ATOM 0 H ASN A 40 7.515 7.434 -1.520 1.00 0.00 H new ATOM 0 HA ASN A 40 9.158 6.042 -3.710 1.00 0.00 H new ATOM 0 HB2 ASN A 40 9.971 7.603 -1.581 1.00 0.00 H new ATOM 0 HB3 ASN A 40 9.904 6.018 -0.837 1.00 0.00 H new ATOM 0 HD21 ASN A 40 13.087 5.286 -2.340 1.00 0.00 H new ATOM 0 HD22 ASN A 40 12.065 5.165 -0.904 1.00 0.00 H new ATOM 634 N VAL A 41 7.626 3.982 -3.066 1.00 0.00 N ATOM 635 CA VAL A 41 6.891 2.777 -2.520 1.00 0.00 C ATOM 636 C VAL A 41 7.685 1.475 -2.367 1.00 0.00 C ATOM 637 O VAL A 41 8.269 0.912 -3.276 1.00 0.00 O ATOM 638 CB VAL A 41 5.641 2.464 -3.391 1.00 0.00 C ATOM 639 CG1 VAL A 41 4.669 3.652 -3.349 1.00 0.00 C ATOM 640 CG2 VAL A 41 5.999 2.220 -4.870 1.00 0.00 C ATOM 0 H VAL A 41 7.774 4.002 -4.075 1.00 0.00 H new ATOM 0 HA VAL A 41 6.644 3.091 -1.506 1.00 0.00 H new ATOM 0 HB VAL A 41 5.195 1.559 -2.978 1.00 0.00 H new ATOM 0 HG11 VAL A 41 3.795 3.429 -3.960 1.00 0.00 H new ATOM 0 HG12 VAL A 41 4.356 3.830 -2.320 1.00 0.00 H new ATOM 0 HG13 VAL A 41 5.165 4.542 -3.737 1.00 0.00 H new ATOM 0 HG21 VAL A 41 5.091 2.006 -5.434 1.00 0.00 H new ATOM 0 HG22 VAL A 41 6.479 3.109 -5.279 1.00 0.00 H new ATOM 0 HG23 VAL A 41 6.680 1.373 -4.944 1.00 0.00 H new ATOM 650 N VAL A 42 7.635 1.039 -1.149 1.00 0.00 N ATOM 651 CA VAL A 42 8.327 -0.209 -0.709 1.00 0.00 C ATOM 652 C VAL A 42 7.288 -1.312 -0.332 1.00 0.00 C ATOM 653 O VAL A 42 6.158 -1.005 0.012 1.00 0.00 O ATOM 654 CB VAL A 42 9.217 0.240 0.466 1.00 0.00 C ATOM 655 CG1 VAL A 42 10.143 -0.890 0.885 1.00 0.00 C ATOM 656 CG2 VAL A 42 10.100 1.446 0.038 1.00 0.00 C ATOM 0 H VAL A 42 7.123 1.512 -0.404 1.00 0.00 H new ATOM 0 HA VAL A 42 8.933 -0.671 -1.488 1.00 0.00 H new ATOM 0 HB VAL A 42 8.566 0.521 1.294 1.00 0.00 H new ATOM 0 HG11 VAL A 42 10.767 -0.560 1.716 1.00 0.00 H new ATOM 0 HG12 VAL A 42 9.550 -1.750 1.195 1.00 0.00 H new ATOM 0 HG13 VAL A 42 10.777 -1.171 0.044 1.00 0.00 H new ATOM 0 HG21 VAL A 42 10.725 1.755 0.876 1.00 0.00 H new ATOM 0 HG22 VAL A 42 10.734 1.154 -0.799 1.00 0.00 H new ATOM 0 HG23 VAL A 42 9.461 2.276 -0.263 1.00 0.00 H new ATOM 666 N PHE A 43 7.661 -2.560 -0.404 1.00 0.00 N ATOM 667 CA PHE A 43 6.715 -3.678 -0.053 1.00 0.00 C ATOM 668 C PHE A 43 6.882 -4.132 1.419 1.00 0.00 C ATOM 669 O PHE A 43 7.887 -3.873 2.056 1.00 0.00 O ATOM 670 CB PHE A 43 6.979 -4.865 -1.025 1.00 0.00 C ATOM 671 CG PHE A 43 5.924 -4.934 -2.137 1.00 0.00 C ATOM 672 CD1 PHE A 43 5.484 -3.813 -2.811 1.00 0.00 C ATOM 673 CD2 PHE A 43 5.408 -6.158 -2.486 1.00 0.00 C ATOM 674 CE1 PHE A 43 4.548 -3.916 -3.816 1.00 0.00 C ATOM 675 CE2 PHE A 43 4.473 -6.267 -3.488 1.00 0.00 C ATOM 676 CZ PHE A 43 4.042 -5.146 -4.155 1.00 0.00 C ATOM 0 H PHE A 43 8.590 -2.865 -0.694 1.00 0.00 H new ATOM 0 HA PHE A 43 5.690 -3.323 -0.158 1.00 0.00 H new ATOM 0 HB2 PHE A 43 7.969 -4.759 -1.469 1.00 0.00 H new ATOM 0 HB3 PHE A 43 6.979 -5.800 -0.465 1.00 0.00 H new ATOM 0 HD1 PHE A 43 5.879 -2.843 -2.547 1.00 0.00 H new ATOM 0 HD2 PHE A 43 5.741 -7.045 -1.967 1.00 0.00 H new ATOM 0 HE1 PHE A 43 4.213 -3.031 -4.336 1.00 0.00 H new ATOM 0 HE2 PHE A 43 4.076 -7.236 -3.751 1.00 0.00 H new ATOM 0 HZ PHE A 43 3.308 -5.232 -4.943 1.00 0.00 H new ATOM 686 N ASP A 44 5.895 -4.787 1.951 1.00 0.00 N ATOM 687 CA ASP A 44 6.007 -5.250 3.372 1.00 0.00 C ATOM 688 C ASP A 44 6.434 -6.751 3.659 1.00 0.00 C ATOM 689 O ASP A 44 6.512 -7.623 2.809 1.00 0.00 O ATOM 690 CB ASP A 44 4.621 -4.875 3.958 1.00 0.00 C ATOM 691 CG ASP A 44 3.711 -6.056 3.870 1.00 0.00 C ATOM 692 OD1 ASP A 44 3.136 -6.319 2.839 1.00 0.00 O ATOM 693 OD2 ASP A 44 3.663 -6.656 4.910 1.00 0.00 O ATOM 0 H ASP A 44 5.023 -5.024 1.478 1.00 0.00 H new ATOM 0 HA ASP A 44 6.861 -4.767 3.847 1.00 0.00 H new ATOM 0 HB2 ASP A 44 4.726 -4.559 4.996 1.00 0.00 H new ATOM 0 HB3 ASP A 44 4.197 -4.034 3.410 1.00 0.00 H new ATOM 698 N ALA A 45 6.716 -6.985 4.914 1.00 0.00 N ATOM 699 CA ALA A 45 7.144 -8.317 5.445 1.00 0.00 C ATOM 700 C ALA A 45 6.167 -9.011 6.465 1.00 0.00 C ATOM 701 O ALA A 45 6.523 -9.947 7.158 1.00 0.00 O ATOM 702 CB ALA A 45 8.542 -8.061 6.053 1.00 0.00 C ATOM 0 H ALA A 45 6.663 -6.264 5.633 1.00 0.00 H new ATOM 0 HA ALA A 45 7.147 -9.044 4.633 1.00 0.00 H new ATOM 0 HB1 ALA A 45 8.934 -8.990 6.468 1.00 0.00 H new ATOM 0 HB2 ALA A 45 9.215 -7.698 5.277 1.00 0.00 H new ATOM 0 HB3 ALA A 45 8.464 -7.315 6.844 1.00 0.00 H new ATOM 708 N ALA A 46 4.963 -8.520 6.523 1.00 0.00 N ATOM 709 CA ALA A 46 3.877 -9.035 7.424 1.00 0.00 C ATOM 710 C ALA A 46 2.739 -9.702 6.587 1.00 0.00 C ATOM 711 O ALA A 46 2.340 -10.822 6.826 1.00 0.00 O ATOM 712 CB ALA A 46 3.416 -7.800 8.229 1.00 0.00 C ATOM 0 H ALA A 46 4.664 -7.733 5.948 1.00 0.00 H new ATOM 0 HA ALA A 46 4.211 -9.822 8.100 1.00 0.00 H new ATOM 0 HB1 ALA A 46 2.620 -8.089 8.915 1.00 0.00 H new ATOM 0 HB2 ALA A 46 4.257 -7.401 8.796 1.00 0.00 H new ATOM 0 HB3 ALA A 46 3.045 -7.037 7.544 1.00 0.00 H new ATOM 718 N LEU A 47 2.276 -8.978 5.612 1.00 0.00 N ATOM 719 CA LEU A 47 1.183 -9.396 4.655 1.00 0.00 C ATOM 720 C LEU A 47 1.923 -10.087 3.453 1.00 0.00 C ATOM 721 O LEU A 47 1.601 -10.042 2.281 1.00 0.00 O ATOM 722 CB LEU A 47 0.449 -8.112 4.192 1.00 0.00 C ATOM 723 CG LEU A 47 -0.308 -7.264 5.275 1.00 0.00 C ATOM 724 CD1 LEU A 47 -1.243 -8.125 6.124 1.00 0.00 C ATOM 725 CD2 LEU A 47 0.657 -6.575 6.220 1.00 0.00 C ATOM 0 H LEU A 47 2.631 -8.042 5.417 1.00 0.00 H new ATOM 0 HA LEU A 47 0.450 -10.073 5.093 1.00 0.00 H new ATOM 0 HB2 LEU A 47 1.182 -7.463 3.712 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -0.273 -8.398 3.427 1.00 0.00 H new ATOM 0 HG LEU A 47 -0.885 -6.525 4.719 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -1.746 -7.498 6.860 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -1.986 -8.598 5.481 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -0.665 -8.894 6.637 1.00 0.00 H new ATOM 0 HD21 LEU A 47 0.096 -5.998 6.955 1.00 0.00 H new ATOM 0 HD22 LEU A 47 1.262 -7.323 6.731 1.00 0.00 H new ATOM 0 HD23 LEU A 47 1.307 -5.908 5.654 1.00 0.00 H new ATOM 737 N ASN A 48 2.964 -10.756 3.837 1.00 0.00 N ATOM 738 CA ASN A 48 3.871 -11.504 2.941 1.00 0.00 C ATOM 739 C ASN A 48 3.636 -13.050 3.060 1.00 0.00 C ATOM 740 O ASN A 48 4.183 -13.652 3.957 1.00 0.00 O ATOM 741 CB ASN A 48 5.217 -10.965 3.422 1.00 0.00 C ATOM 742 CG ASN A 48 6.351 -11.298 2.516 1.00 0.00 C ATOM 743 OD1 ASN A 48 6.702 -12.417 2.232 1.00 0.00 O ATOM 744 ND2 ASN A 48 6.995 -10.324 2.007 1.00 0.00 N ATOM 0 H ASN A 48 3.240 -10.816 4.817 1.00 0.00 H new ATOM 0 HA ASN A 48 3.744 -11.367 1.867 1.00 0.00 H new ATOM 0 HB2 ASN A 48 5.150 -9.882 3.523 1.00 0.00 H new ATOM 0 HB3 ASN A 48 5.426 -11.366 4.414 1.00 0.00 H new ATOM 0 HD21 ASN A 48 7.780 -10.503 1.381 1.00 0.00 H new ATOM 0 HD22 ASN A 48 6.726 -9.365 2.225 1.00 0.00 H new ATOM 751 N PRO A 49 2.847 -13.671 2.199 1.00 0.00 N ATOM 752 CA PRO A 49 2.568 -15.153 2.264 1.00 0.00 C ATOM 753 C PRO A 49 3.770 -16.048 2.668 1.00 0.00 C ATOM 754 O PRO A 49 3.660 -16.929 3.493 1.00 0.00 O ATOM 755 CB PRO A 49 1.983 -15.439 0.853 1.00 0.00 C ATOM 756 CG PRO A 49 2.419 -14.193 0.040 1.00 0.00 C ATOM 757 CD PRO A 49 2.149 -13.064 1.035 1.00 0.00 C ATOM 0 HA PRO A 49 1.885 -15.412 3.073 1.00 0.00 H new ATOM 0 HB2 PRO A 49 2.384 -16.359 0.428 1.00 0.00 H new ATOM 0 HB3 PRO A 49 0.899 -15.546 0.879 1.00 0.00 H new ATOM 0 HG2 PRO A 49 3.469 -14.240 -0.250 1.00 0.00 H new ATOM 0 HG3 PRO A 49 1.840 -14.079 -0.876 1.00 0.00 H new ATOM 0 HD2 PRO A 49 2.578 -12.110 0.728 1.00 0.00 H new ATOM 0 HD3 PRO A 49 1.087 -12.894 1.213 1.00 0.00 H new ATOM 765 N ALA A 50 4.890 -15.786 2.059 1.00 0.00 N ATOM 766 CA ALA A 50 6.150 -16.553 2.344 1.00 0.00 C ATOM 767 C ALA A 50 7.079 -15.583 3.123 1.00 0.00 C ATOM 768 O ALA A 50 8.268 -15.503 2.893 1.00 0.00 O ATOM 769 CB ALA A 50 6.743 -16.968 0.980 1.00 0.00 C ATOM 0 H ALA A 50 4.995 -15.055 1.356 1.00 0.00 H new ATOM 0 HA ALA A 50 6.001 -17.454 2.938 1.00 0.00 H new ATOM 0 HB1 ALA A 50 7.663 -17.530 1.139 1.00 0.00 H new ATOM 0 HB2 ALA A 50 6.025 -17.591 0.446 1.00 0.00 H new ATOM 0 HB3 ALA A 50 6.959 -16.077 0.391 1.00 0.00 H new ATOM 775 N LYS A 51 6.443 -14.893 4.028 1.00 0.00 N ATOM 776 CA LYS A 51 7.014 -13.872 4.941 1.00 0.00 C ATOM 777 C LYS A 51 8.549 -13.671 4.968 1.00 0.00 C ATOM 778 O LYS A 51 9.219 -13.841 5.974 1.00 0.00 O ATOM 779 CB LYS A 51 6.417 -14.260 6.286 1.00 0.00 C ATOM 780 CG LYS A 51 6.204 -12.964 7.065 1.00 0.00 C ATOM 781 CD LYS A 51 6.546 -13.231 8.504 1.00 0.00 C ATOM 782 CE LYS A 51 8.069 -13.317 8.617 1.00 0.00 C ATOM 783 NZ LYS A 51 8.380 -13.359 10.079 1.00 0.00 N ATOM 0 H LYS A 51 5.442 -15.018 4.179 1.00 0.00 H new ATOM 0 HA LYS A 51 6.751 -12.874 4.590 1.00 0.00 H new ATOM 0 HB2 LYS A 51 5.474 -14.790 6.152 1.00 0.00 H new ATOM 0 HB3 LYS A 51 7.085 -14.930 6.826 1.00 0.00 H new ATOM 0 HG2 LYS A 51 6.833 -12.170 6.664 1.00 0.00 H new ATOM 0 HG3 LYS A 51 5.171 -12.629 6.974 1.00 0.00 H new ATOM 0 HD2 LYS A 51 6.160 -12.436 9.142 1.00 0.00 H new ATOM 0 HD3 LYS A 51 6.085 -14.160 8.840 1.00 0.00 H new ATOM 0 HE2 LYS A 51 8.447 -14.207 8.114 1.00 0.00 H new ATOM 0 HE3 LYS A 51 8.543 -12.457 8.143 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 9.410 -13.418 10.213 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 8.020 -12.497 10.535 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 7.927 -14.192 10.507 1.00 0.00 H new ATOM 797 N SER A 52 9.014 -13.285 3.819 1.00 0.00 N ATOM 798 CA SER A 52 10.476 -13.025 3.572 1.00 0.00 C ATOM 799 C SER A 52 10.945 -11.558 3.643 1.00 0.00 C ATOM 800 O SER A 52 10.185 -10.607 3.608 1.00 0.00 O ATOM 801 CB SER A 52 10.814 -13.608 2.184 1.00 0.00 C ATOM 802 OG SER A 52 12.181 -13.253 1.946 1.00 0.00 O ATOM 0 H SER A 52 8.425 -13.130 3.001 1.00 0.00 H new ATOM 0 HA SER A 52 11.010 -13.503 4.394 1.00 0.00 H new ATOM 0 HB2 SER A 52 10.680 -14.690 2.169 1.00 0.00 H new ATOM 0 HB3 SER A 52 10.161 -13.195 1.415 1.00 0.00 H new ATOM 0 HG SER A 52 12.326 -13.139 0.984 1.00 0.00 H new ATOM 808 N ALA A 53 12.237 -11.418 3.719 1.00 0.00 N ATOM 809 CA ALA A 53 12.883 -10.073 3.803 1.00 0.00 C ATOM 810 C ALA A 53 13.388 -9.611 2.439 1.00 0.00 C ATOM 811 O ALA A 53 13.817 -8.477 2.302 1.00 0.00 O ATOM 812 CB ALA A 53 14.011 -10.211 4.857 1.00 0.00 C ATOM 0 H ALA A 53 12.893 -12.199 3.727 1.00 0.00 H new ATOM 0 HA ALA A 53 12.177 -9.300 4.107 1.00 0.00 H new ATOM 0 HB1 ALA A 53 14.526 -9.256 4.966 1.00 0.00 H new ATOM 0 HB2 ALA A 53 13.580 -10.503 5.815 1.00 0.00 H new ATOM 0 HB3 ALA A 53 14.722 -10.971 4.532 1.00 0.00 H new ATOM 818 N ASP A 54 13.319 -10.474 1.472 1.00 0.00 N ATOM 819 CA ASP A 54 13.771 -10.091 0.128 1.00 0.00 C ATOM 820 C ASP A 54 12.440 -9.408 -0.375 1.00 0.00 C ATOM 821 O ASP A 54 12.409 -8.190 -0.379 1.00 0.00 O ATOM 822 CB ASP A 54 14.230 -11.453 -0.505 1.00 0.00 C ATOM 823 CG ASP A 54 13.196 -11.982 -1.426 1.00 0.00 C ATOM 824 OD1 ASP A 54 13.208 -11.504 -2.539 1.00 0.00 O ATOM 825 OD2 ASP A 54 12.467 -12.796 -0.900 1.00 0.00 O ATOM 0 H ASP A 54 12.968 -11.427 1.561 1.00 0.00 H new ATOM 0 HA ASP A 54 14.605 -9.415 -0.060 1.00 0.00 H new ATOM 0 HB2 ASP A 54 15.166 -11.311 -1.045 1.00 0.00 H new ATOM 0 HB3 ASP A 54 14.425 -12.178 0.285 1.00 0.00 H new ATOM 830 N LEU A 55 11.405 -10.140 -0.735 1.00 0.00 N ATOM 831 CA LEU A 55 10.083 -9.592 -1.222 1.00 0.00 C ATOM 832 C LEU A 55 9.825 -8.133 -0.808 1.00 0.00 C ATOM 833 O LEU A 55 9.702 -7.266 -1.652 1.00 0.00 O ATOM 834 CB LEU A 55 8.943 -10.529 -0.680 1.00 0.00 C ATOM 835 CG LEU A 55 8.467 -11.595 -1.699 1.00 0.00 C ATOM 836 CD1 LEU A 55 7.878 -10.922 -2.943 1.00 0.00 C ATOM 837 CD2 LEU A 55 9.638 -12.456 -2.152 1.00 0.00 C ATOM 0 H LEU A 55 11.425 -11.159 -0.709 1.00 0.00 H new ATOM 0 HA LEU A 55 10.104 -9.580 -2.312 1.00 0.00 H new ATOM 0 HB2 LEU A 55 9.298 -11.033 0.219 1.00 0.00 H new ATOM 0 HB3 LEU A 55 8.091 -9.916 -0.386 1.00 0.00 H new ATOM 0 HG LEU A 55 7.712 -12.208 -1.206 1.00 0.00 H new ATOM 0 HD11 LEU A 55 7.549 -11.685 -3.648 1.00 0.00 H new ATOM 0 HD12 LEU A 55 7.028 -10.304 -2.654 1.00 0.00 H new ATOM 0 HD13 LEU A 55 8.638 -10.297 -3.413 1.00 0.00 H new ATOM 0 HD21 LEU A 55 9.287 -13.200 -2.867 1.00 0.00 H new ATOM 0 HD22 LEU A 55 10.392 -11.826 -2.624 1.00 0.00 H new ATOM 0 HD23 LEU A 55 10.074 -12.960 -1.289 1.00 0.00 H new ATOM 849 N ALA A 56 9.753 -7.929 0.486 1.00 0.00 N ATOM 850 CA ALA A 56 9.518 -6.571 1.101 1.00 0.00 C ATOM 851 C ALA A 56 10.100 -5.426 0.222 1.00 0.00 C ATOM 852 O ALA A 56 9.554 -4.360 0.076 1.00 0.00 O ATOM 853 CB ALA A 56 10.150 -6.647 2.511 1.00 0.00 C ATOM 0 H ALA A 56 9.851 -8.676 1.173 1.00 0.00 H new ATOM 0 HA ALA A 56 8.457 -6.330 1.170 1.00 0.00 H new ATOM 0 HB1 ALA A 56 10.018 -5.693 3.021 1.00 0.00 H new ATOM 0 HB2 ALA A 56 9.664 -7.436 3.086 1.00 0.00 H new ATOM 0 HB3 ALA A 56 11.214 -6.867 2.421 1.00 0.00 H new ATOM 859 N LYS A 57 11.239 -5.694 -0.346 1.00 0.00 N ATOM 860 CA LYS A 57 11.899 -4.683 -1.235 1.00 0.00 C ATOM 861 C LYS A 57 12.030 -5.272 -2.646 1.00 0.00 C ATOM 862 O LYS A 57 11.665 -4.609 -3.588 1.00 0.00 O ATOM 863 CB LYS A 57 13.269 -4.315 -0.648 1.00 0.00 C ATOM 864 CG LYS A 57 14.275 -5.499 -0.692 1.00 0.00 C ATOM 865 CD LYS A 57 15.420 -5.240 0.310 1.00 0.00 C ATOM 866 CE LYS A 57 14.859 -4.989 1.704 1.00 0.00 C ATOM 867 NZ LYS A 57 13.923 -6.110 2.012 1.00 0.00 N ATOM 0 H LYS A 57 11.749 -6.571 -0.237 1.00 0.00 H new ATOM 0 HA LYS A 57 11.302 -3.773 -1.297 1.00 0.00 H new ATOM 0 HB2 LYS A 57 13.682 -3.471 -1.201 1.00 0.00 H new ATOM 0 HB3 LYS A 57 13.142 -3.989 0.384 1.00 0.00 H new ATOM 0 HG2 LYS A 57 13.767 -6.431 -0.446 1.00 0.00 H new ATOM 0 HG3 LYS A 57 14.677 -5.611 -1.699 1.00 0.00 H new ATOM 0 HD2 LYS A 57 16.094 -6.096 0.331 1.00 0.00 H new ATOM 0 HD3 LYS A 57 16.007 -4.380 -0.013 1.00 0.00 H new ATOM 0 HE2 LYS A 57 15.662 -4.945 2.440 1.00 0.00 H new ATOM 0 HE3 LYS A 57 14.339 -4.032 1.743 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 13.663 -6.078 3.018 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 13.066 -6.017 1.430 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 14.387 -7.017 1.803 1.00 0.00 H new ATOM 881 N SER A 58 12.528 -6.477 -2.726 1.00 0.00 N ATOM 882 CA SER A 58 12.735 -7.234 -4.017 1.00 0.00 C ATOM 883 C SER A 58 11.563 -7.092 -4.995 1.00 0.00 C ATOM 884 O SER A 58 11.714 -7.195 -6.194 1.00 0.00 O ATOM 885 CB SER A 58 12.938 -8.713 -3.692 1.00 0.00 C ATOM 886 OG SER A 58 13.960 -8.710 -2.698 1.00 0.00 O ATOM 0 H SER A 58 12.819 -7.005 -1.903 1.00 0.00 H new ATOM 0 HA SER A 58 13.611 -6.807 -4.506 1.00 0.00 H new ATOM 0 HB2 SER A 58 12.021 -9.170 -3.320 1.00 0.00 H new ATOM 0 HB3 SER A 58 13.240 -9.278 -4.574 1.00 0.00 H new ATOM 0 HG SER A 58 14.492 -9.530 -2.773 1.00 0.00 H new ATOM 892 N LEU A 59 10.416 -6.873 -4.416 1.00 0.00 N ATOM 893 CA LEU A 59 9.155 -6.701 -5.197 1.00 0.00 C ATOM 894 C LEU A 59 8.869 -5.174 -5.353 1.00 0.00 C ATOM 895 O LEU A 59 8.446 -4.723 -6.399 1.00 0.00 O ATOM 896 CB LEU A 59 8.048 -7.454 -4.403 1.00 0.00 C ATOM 897 CG LEU A 59 6.939 -8.040 -5.310 1.00 0.00 C ATOM 898 CD1 LEU A 59 6.390 -6.967 -6.241 1.00 0.00 C ATOM 899 CD2 LEU A 59 7.513 -9.164 -6.180 1.00 0.00 C ATOM 0 H LEU A 59 10.295 -6.804 -3.406 1.00 0.00 H new ATOM 0 HA LEU A 59 9.209 -7.111 -6.206 1.00 0.00 H new ATOM 0 HB2 LEU A 59 8.505 -8.262 -3.831 1.00 0.00 H new ATOM 0 HB3 LEU A 59 7.597 -6.770 -3.684 1.00 0.00 H new ATOM 0 HG LEU A 59 6.146 -8.420 -4.666 1.00 0.00 H new ATOM 0 HD11 LEU A 59 5.611 -7.396 -6.872 1.00 0.00 H new ATOM 0 HD12 LEU A 59 5.971 -6.153 -5.650 1.00 0.00 H new ATOM 0 HD13 LEU A 59 7.195 -6.583 -6.868 1.00 0.00 H new ATOM 0 HD21 LEU A 59 6.726 -9.571 -6.815 1.00 0.00 H new ATOM 0 HD22 LEU A 59 8.314 -8.768 -6.804 1.00 0.00 H new ATOM 0 HD23 LEU A 59 7.908 -9.954 -5.541 1.00 0.00 H new ATOM 911 N SER A 60 9.090 -4.388 -4.325 1.00 0.00 N ATOM 912 CA SER A 60 8.825 -2.912 -4.468 1.00 0.00 C ATOM 913 C SER A 60 9.988 -2.123 -5.114 1.00 0.00 C ATOM 914 O SER A 60 10.862 -2.697 -5.734 1.00 0.00 O ATOM 915 CB SER A 60 8.567 -2.388 -3.114 1.00 0.00 C ATOM 916 OG SER A 60 9.795 -2.583 -2.411 1.00 0.00 O ATOM 0 H SER A 60 9.434 -4.690 -3.413 1.00 0.00 H new ATOM 0 HA SER A 60 7.976 -2.783 -5.139 1.00 0.00 H new ATOM 0 HB2 SER A 60 8.290 -1.334 -3.143 1.00 0.00 H new ATOM 0 HB3 SER A 60 7.746 -2.920 -2.633 1.00 0.00 H new ATOM 0 HG SER A 60 10.376 -1.806 -2.546 1.00 0.00 H new ATOM 922 N HIS A 61 10.016 -0.823 -4.989 1.00 0.00 N ATOM 923 CA HIS A 61 11.138 -0.040 -5.615 1.00 0.00 C ATOM 924 C HIS A 61 11.819 0.926 -4.609 1.00 0.00 C ATOM 925 O HIS A 61 11.448 1.029 -3.456 1.00 0.00 O ATOM 926 CB HIS A 61 10.530 0.729 -6.833 1.00 0.00 C ATOM 927 CG HIS A 61 9.706 -0.193 -7.740 1.00 0.00 C ATOM 928 ND1 HIS A 61 9.868 -1.464 -7.883 1.00 0.00 N ATOM 929 CD2 HIS A 61 8.654 0.099 -8.584 1.00 0.00 C ATOM 930 CE1 HIS A 61 9.006 -1.933 -8.729 1.00 0.00 C ATOM 931 NE2 HIS A 61 8.229 -0.990 -9.191 1.00 0.00 N ATOM 0 H HIS A 61 9.322 -0.268 -4.488 1.00 0.00 H new ATOM 0 HA HIS A 61 11.930 -0.716 -5.939 1.00 0.00 H new ATOM 0 HB2 HIS A 61 9.899 1.540 -6.471 1.00 0.00 H new ATOM 0 HB3 HIS A 61 11.333 1.184 -7.412 1.00 0.00 H new ATOM 0 HD1 HIS A 61 10.573 -2.020 -7.400 1.00 0.00 H new ATOM 0 HD2 HIS A 61 8.237 1.085 -8.727 1.00 0.00 H new ATOM 0 HE1 HIS A 61 8.938 -2.972 -9.016 1.00 0.00 H new ATOM 939 N LYS A 62 12.828 1.620 -5.056 1.00 0.00 N ATOM 940 CA LYS A 62 13.533 2.587 -4.140 1.00 0.00 C ATOM 941 C LYS A 62 13.593 4.033 -4.632 1.00 0.00 C ATOM 942 O LYS A 62 14.151 4.870 -3.954 1.00 0.00 O ATOM 943 CB LYS A 62 14.967 2.067 -3.886 1.00 0.00 C ATOM 944 CG LYS A 62 14.965 0.911 -2.840 1.00 0.00 C ATOM 945 CD LYS A 62 14.978 1.462 -1.356 1.00 0.00 C ATOM 946 CE LYS A 62 13.731 2.271 -0.970 1.00 0.00 C ATOM 947 NZ LYS A 62 13.833 2.552 0.482 1.00 0.00 N ATOM 0 H LYS A 62 13.199 1.567 -6.005 1.00 0.00 H new ATOM 0 HA LYS A 62 12.938 2.625 -3.227 1.00 0.00 H new ATOM 0 HB2 LYS A 62 15.401 1.715 -4.822 1.00 0.00 H new ATOM 0 HB3 LYS A 62 15.596 2.883 -3.530 1.00 0.00 H new ATOM 0 HG2 LYS A 62 14.083 0.288 -2.989 1.00 0.00 H new ATOM 0 HG3 LYS A 62 15.836 0.275 -2.999 1.00 0.00 H new ATOM 0 HD2 LYS A 62 15.078 0.621 -0.670 1.00 0.00 H new ATOM 0 HD3 LYS A 62 15.859 2.089 -1.222 1.00 0.00 H new ATOM 0 HE2 LYS A 62 13.681 3.199 -1.540 1.00 0.00 H new ATOM 0 HE3 LYS A 62 12.823 1.710 -1.192 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 13.137 1.975 0.997 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 14.790 2.318 0.814 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 13.643 3.560 0.655 1.00 0.00 H new ATOM 961 N GLN A 63 13.015 4.267 -5.770 1.00 0.00 N ATOM 962 CA GLN A 63 13.007 5.643 -6.348 1.00 0.00 C ATOM 963 C GLN A 63 11.573 6.197 -6.176 1.00 0.00 C ATOM 964 O GLN A 63 10.617 5.440 -6.161 1.00 0.00 O ATOM 965 CB GLN A 63 13.415 5.524 -7.832 1.00 0.00 C ATOM 966 CG GLN A 63 13.364 6.935 -8.516 1.00 0.00 C ATOM 967 CD GLN A 63 13.720 6.820 -9.987 1.00 0.00 C ATOM 968 OE1 GLN A 63 13.117 6.104 -10.745 1.00 0.00 O ATOM 969 NE2 GLN A 63 14.690 7.494 -10.484 1.00 0.00 N ATOM 0 H GLN A 63 12.542 3.561 -6.334 1.00 0.00 H new ATOM 0 HA GLN A 63 13.704 6.322 -5.857 1.00 0.00 H new ATOM 0 HB2 GLN A 63 14.420 5.109 -7.909 1.00 0.00 H new ATOM 0 HB3 GLN A 63 12.745 4.836 -8.348 1.00 0.00 H new ATOM 0 HG2 GLN A 63 12.367 7.363 -8.408 1.00 0.00 H new ATOM 0 HG3 GLN A 63 14.058 7.613 -8.019 1.00 0.00 H new ATOM 0 HE21 GLN A 63 15.236 8.117 -9.889 1.00 0.00 H new ATOM 0 HE22 GLN A 63 14.916 7.408 -11.475 1.00 0.00 H new ATOM 978 N LEU A 64 11.464 7.489 -6.064 1.00 0.00 N ATOM 979 CA LEU A 64 10.121 8.120 -5.881 1.00 0.00 C ATOM 980 C LEU A 64 9.539 8.991 -7.006 1.00 0.00 C ATOM 981 O LEU A 64 10.203 9.611 -7.815 1.00 0.00 O ATOM 982 CB LEU A 64 10.193 8.939 -4.531 1.00 0.00 C ATOM 983 CG LEU A 64 11.589 9.554 -4.251 1.00 0.00 C ATOM 984 CD1 LEU A 64 11.936 10.604 -5.296 1.00 0.00 C ATOM 985 CD2 LEU A 64 11.554 10.248 -2.893 1.00 0.00 C ATOM 0 H LEU A 64 12.248 8.141 -6.091 1.00 0.00 H new ATOM 0 HA LEU A 64 9.414 7.291 -5.881 1.00 0.00 H new ATOM 0 HB2 LEU A 64 9.453 9.738 -4.561 1.00 0.00 H new ATOM 0 HB3 LEU A 64 9.921 8.284 -3.703 1.00 0.00 H new ATOM 0 HG LEU A 64 12.330 8.755 -4.275 1.00 0.00 H new ATOM 0 HD11 LEU A 64 12.919 11.022 -5.080 1.00 0.00 H new ATOM 0 HD12 LEU A 64 11.947 10.144 -6.284 1.00 0.00 H new ATOM 0 HD13 LEU A 64 11.191 11.399 -5.274 1.00 0.00 H new ATOM 0 HD21 LEU A 64 12.530 10.685 -2.683 1.00 0.00 H new ATOM 0 HD22 LEU A 64 10.799 11.034 -2.905 1.00 0.00 H new ATOM 0 HD23 LEU A 64 11.308 9.521 -2.119 1.00 0.00 H new ATOM 997 N LEU A 65 8.239 9.000 -6.978 1.00 0.00 N ATOM 998 CA LEU A 65 7.426 9.771 -7.963 1.00 0.00 C ATOM 999 C LEU A 65 7.112 11.142 -7.313 1.00 0.00 C ATOM 1000 O LEU A 65 6.480 11.231 -6.273 1.00 0.00 O ATOM 1001 CB LEU A 65 6.135 8.949 -8.265 1.00 0.00 C ATOM 1002 CG LEU A 65 6.428 7.576 -8.932 1.00 0.00 C ATOM 1003 CD1 LEU A 65 7.031 6.559 -7.951 1.00 0.00 C ATOM 1004 CD2 LEU A 65 5.108 6.996 -9.403 1.00 0.00 C ATOM 0 H LEU A 65 7.685 8.488 -6.291 1.00 0.00 H new ATOM 0 HA LEU A 65 7.943 9.940 -8.907 1.00 0.00 H new ATOM 0 HB2 LEU A 65 5.590 8.786 -7.335 1.00 0.00 H new ATOM 0 HB3 LEU A 65 5.485 9.532 -8.918 1.00 0.00 H new ATOM 0 HG LEU A 65 7.139 7.748 -9.740 1.00 0.00 H new ATOM 0 HD11 LEU A 65 7.216 5.618 -8.470 1.00 0.00 H new ATOM 0 HD12 LEU A 65 7.971 6.946 -7.557 1.00 0.00 H new ATOM 0 HD13 LEU A 65 6.335 6.390 -7.129 1.00 0.00 H new ATOM 0 HD21 LEU A 65 5.283 6.030 -9.876 1.00 0.00 H new ATOM 0 HD22 LEU A 65 4.442 6.866 -8.550 1.00 0.00 H new ATOM 0 HD23 LEU A 65 4.648 7.674 -10.122 1.00 0.00 H new ATOM 1016 N MET A 66 7.592 12.166 -7.956 1.00 0.00 N ATOM 1017 CA MET A 66 7.400 13.580 -7.480 1.00 0.00 C ATOM 1018 C MET A 66 6.488 14.449 -8.382 1.00 0.00 C ATOM 1019 O MET A 66 5.524 15.025 -7.923 1.00 0.00 O ATOM 1020 CB MET A 66 8.819 14.198 -7.365 1.00 0.00 C ATOM 1021 CG MET A 66 9.716 13.336 -6.455 1.00 0.00 C ATOM 1022 SD MET A 66 11.408 13.928 -6.221 1.00 0.00 S ATOM 1023 CE MET A 66 12.142 13.142 -7.678 1.00 0.00 C ATOM 0 H MET A 66 8.128 12.088 -8.820 1.00 0.00 H new ATOM 0 HA MET A 66 6.875 13.558 -6.525 1.00 0.00 H new ATOM 0 HB2 MET A 66 9.267 14.279 -8.355 1.00 0.00 H new ATOM 0 HB3 MET A 66 8.749 15.209 -6.963 1.00 0.00 H new ATOM 0 HG2 MET A 66 9.241 13.259 -5.477 1.00 0.00 H new ATOM 0 HG3 MET A 66 9.759 12.329 -6.869 1.00 0.00 H new ATOM 0 HE1 MET A 66 12.804 12.336 -7.362 1.00 0.00 H new ATOM 0 HE2 MET A 66 11.352 12.736 -8.309 1.00 0.00 H new ATOM 0 HE3 MET A 66 12.713 13.880 -8.241 1.00 0.00 H new ATOM 1033 N SER A 67 6.844 14.509 -9.629 1.00 0.00 N ATOM 1034 CA SER A 67 6.125 15.289 -10.707 1.00 0.00 C ATOM 1035 C SER A 67 4.622 14.931 -10.913 1.00 0.00 C ATOM 1036 O SER A 67 4.351 14.027 -11.676 1.00 0.00 O ATOM 1037 CB SER A 67 6.876 15.070 -12.038 1.00 0.00 C ATOM 1038 OG SER A 67 8.249 14.987 -11.655 1.00 0.00 O ATOM 0 H SER A 67 7.664 14.016 -9.982 1.00 0.00 H new ATOM 0 HA SER A 67 6.128 16.328 -10.377 1.00 0.00 H new ATOM 0 HB2 SER A 67 6.546 14.159 -12.537 1.00 0.00 H new ATOM 0 HB3 SER A 67 6.705 15.893 -12.732 1.00 0.00 H new ATOM 0 HG SER A 67 8.606 14.109 -11.906 1.00 0.00 H new ATOM 1044 N PRO A 68 3.681 15.596 -10.267 1.00 0.00 N ATOM 1045 CA PRO A 68 2.207 15.366 -10.487 1.00 0.00 C ATOM 1046 C PRO A 68 1.778 14.872 -11.901 1.00 0.00 C ATOM 1047 O PRO A 68 1.488 15.657 -12.783 1.00 0.00 O ATOM 1048 CB PRO A 68 1.609 16.738 -10.041 1.00 0.00 C ATOM 1049 CG PRO A 68 2.850 17.659 -9.820 1.00 0.00 C ATOM 1050 CD PRO A 68 3.880 16.683 -9.272 1.00 0.00 C ATOM 0 HA PRO A 68 1.827 14.516 -9.920 1.00 0.00 H new ATOM 0 HB2 PRO A 68 0.944 17.146 -10.802 1.00 0.00 H new ATOM 0 HB3 PRO A 68 1.024 16.636 -9.127 1.00 0.00 H new ATOM 0 HG2 PRO A 68 3.183 18.124 -10.748 1.00 0.00 H new ATOM 0 HG3 PRO A 68 2.639 18.465 -9.118 1.00 0.00 H new ATOM 0 HD2 PRO A 68 4.893 17.085 -9.278 1.00 0.00 H new ATOM 0 HD3 PRO A 68 3.668 16.369 -8.250 1.00 0.00 H new ATOM 1058 N GLY A 69 1.752 13.576 -12.078 1.00 0.00 N ATOM 1059 CA GLY A 69 1.354 12.981 -13.421 1.00 0.00 C ATOM 1060 C GLY A 69 2.279 11.846 -13.848 1.00 0.00 C ATOM 1061 O GLY A 69 1.900 10.909 -14.521 1.00 0.00 O ATOM 0 H GLY A 69 1.987 12.892 -11.359 1.00 0.00 H new ATOM 0 HA2 GLY A 69 0.331 12.610 -13.363 1.00 0.00 H new ATOM 0 HA3 GLY A 69 1.367 13.763 -14.180 1.00 0.00 H new ATOM 1065 N GLN A 70 3.497 11.961 -13.424 1.00 0.00 N ATOM 1066 CA GLN A 70 4.555 10.953 -13.741 1.00 0.00 C ATOM 1067 C GLN A 70 4.328 9.608 -12.987 1.00 0.00 C ATOM 1068 O GLN A 70 4.895 9.340 -11.947 1.00 0.00 O ATOM 1069 CB GLN A 70 5.879 11.677 -13.384 1.00 0.00 C ATOM 1070 CG GLN A 70 7.131 10.748 -13.542 1.00 0.00 C ATOM 1071 CD GLN A 70 8.417 11.564 -13.459 1.00 0.00 C ATOM 1072 OE1 GLN A 70 8.617 12.399 -12.608 1.00 0.00 O ATOM 1073 NE2 GLN A 70 9.355 11.390 -14.316 1.00 0.00 N ATOM 0 H GLN A 70 3.823 12.738 -12.849 1.00 0.00 H new ATOM 0 HA GLN A 70 4.554 10.640 -14.785 1.00 0.00 H new ATOM 0 HB2 GLN A 70 5.996 12.551 -14.025 1.00 0.00 H new ATOM 0 HB3 GLN A 70 5.826 12.039 -12.357 1.00 0.00 H new ATOM 0 HG2 GLN A 70 7.126 9.986 -12.763 1.00 0.00 H new ATOM 0 HG3 GLN A 70 7.086 10.226 -14.498 1.00 0.00 H new ATOM 0 HE21 GLN A 70 9.246 10.699 -15.059 1.00 0.00 H new ATOM 0 HE22 GLN A 70 10.210 11.942 -14.255 1.00 0.00 H new ATOM 1082 N SER A 71 3.477 8.797 -13.555 1.00 0.00 N ATOM 1083 CA SER A 71 3.153 7.449 -12.938 1.00 0.00 C ATOM 1084 C SER A 71 4.068 6.311 -13.414 1.00 0.00 C ATOM 1085 O SER A 71 4.701 6.392 -14.448 1.00 0.00 O ATOM 1086 CB SER A 71 1.742 7.007 -13.295 1.00 0.00 C ATOM 1087 OG SER A 71 1.533 5.883 -12.439 1.00 0.00 O ATOM 0 H SER A 71 2.983 8.999 -14.424 1.00 0.00 H new ATOM 0 HA SER A 71 3.286 7.610 -11.868 1.00 0.00 H new ATOM 0 HB2 SER A 71 1.013 7.796 -13.111 1.00 0.00 H new ATOM 0 HB3 SER A 71 1.658 6.735 -14.347 1.00 0.00 H new ATOM 0 HG SER A 71 0.572 5.752 -12.301 1.00 0.00 H new ATOM 1093 N THR A 72 4.105 5.272 -12.634 1.00 0.00 N ATOM 1094 CA THR A 72 4.955 4.069 -12.980 1.00 0.00 C ATOM 1095 C THR A 72 4.067 2.856 -13.247 1.00 0.00 C ATOM 1096 O THR A 72 3.033 2.708 -12.623 1.00 0.00 O ATOM 1097 CB THR A 72 5.925 3.693 -11.828 1.00 0.00 C ATOM 1098 OG1 THR A 72 6.574 2.525 -12.308 1.00 0.00 O ATOM 1099 CG2 THR A 72 5.262 3.163 -10.579 1.00 0.00 C ATOM 0 H THR A 72 3.584 5.190 -11.761 1.00 0.00 H new ATOM 0 HA THR A 72 5.532 4.338 -13.865 1.00 0.00 H new ATOM 0 HB THR A 72 6.505 4.583 -11.586 1.00 0.00 H new ATOM 0 HG1 THR A 72 7.217 2.210 -11.639 1.00 0.00 H new ATOM 0 HG21 THR A 72 6.023 2.929 -9.834 1.00 0.00 H new ATOM 0 HG22 THR A 72 4.583 3.916 -10.180 1.00 0.00 H new ATOM 0 HG23 THR A 72 4.701 2.260 -10.820 1.00 0.00 H new ATOM 1107 N SER A 73 4.490 2.023 -14.148 1.00 0.00 N ATOM 1108 CA SER A 73 3.728 0.777 -14.525 1.00 0.00 C ATOM 1109 C SER A 73 4.503 -0.433 -13.988 1.00 0.00 C ATOM 1110 O SER A 73 5.534 -0.804 -14.515 1.00 0.00 O ATOM 1111 CB SER A 73 3.605 0.725 -16.068 1.00 0.00 C ATOM 1112 OG SER A 73 4.942 0.821 -16.563 1.00 0.00 O ATOM 0 H SER A 73 5.361 2.147 -14.664 1.00 0.00 H new ATOM 0 HA SER A 73 2.725 0.773 -14.098 1.00 0.00 H new ATOM 0 HB2 SER A 73 3.132 -0.202 -16.393 1.00 0.00 H new ATOM 0 HB3 SER A 73 2.989 1.544 -16.440 1.00 0.00 H new ATOM 0 HG SER A 73 5.522 0.214 -16.058 1.00 0.00 H new ATOM 1118 N THR A 74 3.999 -1.044 -12.954 1.00 0.00 N ATOM 1119 CA THR A 74 4.727 -2.238 -12.373 1.00 0.00 C ATOM 1120 C THR A 74 3.934 -3.542 -12.447 1.00 0.00 C ATOM 1121 O THR A 74 2.757 -3.552 -12.164 1.00 0.00 O ATOM 1122 CB THR A 74 5.065 -1.949 -10.894 1.00 0.00 C ATOM 1123 OG1 THR A 74 5.839 -0.757 -10.922 1.00 0.00 O ATOM 1124 CG2 THR A 74 6.092 -2.932 -10.354 1.00 0.00 C ATOM 0 H THR A 74 3.132 -0.786 -12.483 1.00 0.00 H new ATOM 0 HA THR A 74 5.624 -2.378 -12.977 1.00 0.00 H new ATOM 0 HB THR A 74 4.139 -1.954 -10.319 1.00 0.00 H new ATOM 0 HG1 THR A 74 6.638 -0.872 -10.366 1.00 0.00 H new ATOM 0 HG21 THR A 74 6.306 -2.699 -9.311 1.00 0.00 H new ATOM 0 HG22 THR A 74 5.698 -3.946 -10.426 1.00 0.00 H new ATOM 0 HG23 THR A 74 7.009 -2.857 -10.938 1.00 0.00 H new ATOM 1132 N THR A 75 4.573 -4.608 -12.840 1.00 0.00 N ATOM 1133 CA THR A 75 3.866 -5.949 -12.935 1.00 0.00 C ATOM 1134 C THR A 75 4.436 -6.987 -11.964 1.00 0.00 C ATOM 1135 O THR A 75 5.457 -6.789 -11.333 1.00 0.00 O ATOM 1136 CB THR A 75 3.972 -6.550 -14.377 1.00 0.00 C ATOM 1137 OG1 THR A 75 3.253 -7.776 -14.310 1.00 0.00 O ATOM 1138 CG2 THR A 75 5.363 -7.063 -14.723 1.00 0.00 C ATOM 0 H THR A 75 5.558 -4.624 -13.104 1.00 0.00 H new ATOM 0 HA THR A 75 2.827 -5.744 -12.678 1.00 0.00 H new ATOM 0 HB THR A 75 3.650 -5.780 -15.077 1.00 0.00 H new ATOM 0 HG1 THR A 75 3.273 -8.215 -15.186 1.00 0.00 H new ATOM 0 HG21 THR A 75 5.361 -7.465 -15.736 1.00 0.00 H new ATOM 0 HG22 THR A 75 6.079 -6.244 -14.659 1.00 0.00 H new ATOM 0 HG23 THR A 75 5.646 -7.848 -14.022 1.00 0.00 H new ATOM 1146 N PHE A 76 3.745 -8.076 -11.893 1.00 0.00 N ATOM 1147 CA PHE A 76 4.114 -9.232 -11.017 1.00 0.00 C ATOM 1148 C PHE A 76 4.475 -10.424 -11.951 1.00 0.00 C ATOM 1149 O PHE A 76 4.333 -10.309 -13.154 1.00 0.00 O ATOM 1150 CB PHE A 76 2.870 -9.471 -10.119 1.00 0.00 C ATOM 1151 CG PHE A 76 2.747 -8.252 -9.194 1.00 0.00 C ATOM 1152 CD1 PHE A 76 2.219 -7.071 -9.667 1.00 0.00 C ATOM 1153 CD2 PHE A 76 3.183 -8.305 -7.888 1.00 0.00 C ATOM 1154 CE1 PHE A 76 2.128 -5.961 -8.866 1.00 0.00 C ATOM 1155 CE2 PHE A 76 3.093 -7.194 -7.076 1.00 0.00 C ATOM 1156 CZ PHE A 76 2.565 -6.020 -7.566 1.00 0.00 C ATOM 0 H PHE A 76 2.892 -8.229 -12.432 1.00 0.00 H new ATOM 0 HA PHE A 76 4.979 -9.076 -10.373 1.00 0.00 H new ATOM 0 HB2 PHE A 76 1.972 -9.587 -10.726 1.00 0.00 H new ATOM 0 HB3 PHE A 76 2.983 -10.387 -9.538 1.00 0.00 H new ATOM 0 HD1 PHE A 76 1.870 -7.018 -10.688 1.00 0.00 H new ATOM 0 HD2 PHE A 76 3.598 -9.223 -7.498 1.00 0.00 H new ATOM 0 HE1 PHE A 76 1.714 -5.043 -9.257 1.00 0.00 H new ATOM 0 HE2 PHE A 76 3.437 -7.245 -6.054 1.00 0.00 H new ATOM 0 HZ PHE A 76 2.495 -5.150 -6.930 1.00 0.00 H new ATOM 1166 N PRO A 77 4.932 -11.523 -11.404 1.00 0.00 N ATOM 1167 CA PRO A 77 4.938 -12.834 -12.115 1.00 0.00 C ATOM 1168 C PRO A 77 3.749 -13.744 -11.689 1.00 0.00 C ATOM 1169 O PRO A 77 2.865 -13.337 -10.956 1.00 0.00 O ATOM 1170 CB PRO A 77 6.316 -13.332 -11.737 1.00 0.00 C ATOM 1171 CG PRO A 77 6.361 -12.981 -10.207 1.00 0.00 C ATOM 1172 CD PRO A 77 5.550 -11.649 -10.054 1.00 0.00 C ATOM 0 HA PRO A 77 4.784 -12.797 -13.193 1.00 0.00 H new ATOM 0 HB2 PRO A 77 6.430 -14.401 -11.917 1.00 0.00 H new ATOM 0 HB3 PRO A 77 7.103 -12.828 -12.298 1.00 0.00 H new ATOM 0 HG2 PRO A 77 5.920 -13.779 -9.609 1.00 0.00 H new ATOM 0 HG3 PRO A 77 7.388 -12.856 -9.864 1.00 0.00 H new ATOM 0 HD2 PRO A 77 4.802 -11.713 -9.264 1.00 0.00 H new ATOM 0 HD3 PRO A 77 6.193 -10.802 -9.816 1.00 0.00 H new ATOM 1180 N ALA A 78 3.780 -14.951 -12.162 1.00 0.00 N ATOM 1181 CA ALA A 78 2.713 -15.967 -11.846 1.00 0.00 C ATOM 1182 C ALA A 78 3.316 -16.930 -10.779 1.00 0.00 C ATOM 1183 O ALA A 78 2.660 -17.545 -9.960 1.00 0.00 O ATOM 1184 CB ALA A 78 2.385 -16.668 -13.175 1.00 0.00 C ATOM 0 H ALA A 78 4.518 -15.299 -12.774 1.00 0.00 H new ATOM 0 HA ALA A 78 1.792 -15.550 -11.439 1.00 0.00 H new ATOM 0 HB1 ALA A 78 1.613 -17.420 -13.009 1.00 0.00 H new ATOM 0 HB2 ALA A 78 2.026 -15.933 -13.895 1.00 0.00 H new ATOM 0 HB3 ALA A 78 3.283 -17.149 -13.564 1.00 0.00 H new ATOM 1190 N ASP A 79 4.602 -16.959 -10.886 1.00 0.00 N ATOM 1191 CA ASP A 79 5.603 -17.724 -10.100 1.00 0.00 C ATOM 1192 C ASP A 79 5.782 -17.027 -8.702 1.00 0.00 C ATOM 1193 O ASP A 79 6.862 -16.703 -8.238 1.00 0.00 O ATOM 1194 CB ASP A 79 6.847 -17.692 -11.063 1.00 0.00 C ATOM 1195 CG ASP A 79 6.418 -17.687 -12.529 1.00 0.00 C ATOM 1196 OD1 ASP A 79 6.265 -18.764 -13.056 1.00 0.00 O ATOM 1197 OD2 ASP A 79 6.252 -16.574 -13.014 1.00 0.00 O ATOM 0 H ASP A 79 5.063 -16.394 -11.599 1.00 0.00 H new ATOM 0 HA ASP A 79 5.361 -18.753 -9.835 1.00 0.00 H new ATOM 0 HB2 ASP A 79 7.447 -16.806 -10.855 1.00 0.00 H new ATOM 0 HB3 ASP A 79 7.480 -18.558 -10.871 1.00 0.00 H new ATOM 1202 N ALA A 80 4.670 -16.812 -8.057 1.00 0.00 N ATOM 1203 CA ALA A 80 4.651 -16.150 -6.711 1.00 0.00 C ATOM 1204 C ALA A 80 3.936 -16.978 -5.592 1.00 0.00 C ATOM 1205 O ALA A 80 3.275 -17.962 -5.857 1.00 0.00 O ATOM 1206 CB ALA A 80 3.984 -14.770 -6.970 1.00 0.00 C ATOM 0 H ALA A 80 3.749 -17.072 -8.410 1.00 0.00 H new ATOM 0 HA ALA A 80 5.659 -16.055 -6.308 1.00 0.00 H new ATOM 0 HB1 ALA A 80 3.927 -14.212 -6.035 1.00 0.00 H new ATOM 0 HB2 ALA A 80 4.577 -14.209 -7.692 1.00 0.00 H new ATOM 0 HB3 ALA A 80 2.979 -14.920 -7.365 1.00 0.00 H new ATOM 1212 N PRO A 81 4.087 -16.559 -4.355 1.00 0.00 N ATOM 1213 CA PRO A 81 3.149 -16.970 -3.269 1.00 0.00 C ATOM 1214 C PRO A 81 1.900 -16.033 -3.201 1.00 0.00 C ATOM 1215 O PRO A 81 1.995 -14.860 -3.503 1.00 0.00 O ATOM 1216 CB PRO A 81 4.085 -16.930 -2.062 1.00 0.00 C ATOM 1217 CG PRO A 81 4.880 -15.615 -2.347 1.00 0.00 C ATOM 1218 CD PRO A 81 5.185 -15.678 -3.865 1.00 0.00 C ATOM 0 HA PRO A 81 2.672 -17.943 -3.383 1.00 0.00 H new ATOM 0 HB2 PRO A 81 3.540 -16.887 -1.119 1.00 0.00 H new ATOM 0 HB3 PRO A 81 4.735 -17.803 -2.015 1.00 0.00 H new ATOM 0 HG2 PRO A 81 4.293 -14.732 -2.095 1.00 0.00 H new ATOM 0 HG3 PRO A 81 5.796 -15.568 -1.758 1.00 0.00 H new ATOM 0 HD2 PRO A 81 5.158 -14.692 -4.330 1.00 0.00 H new ATOM 0 HD3 PRO A 81 6.170 -16.099 -4.068 1.00 0.00 H new ATOM 1226 N ALA A 82 0.790 -16.595 -2.813 1.00 0.00 N ATOM 1227 CA ALA A 82 -0.537 -15.890 -2.675 1.00 0.00 C ATOM 1228 C ALA A 82 -0.665 -14.326 -2.635 1.00 0.00 C ATOM 1229 O ALA A 82 0.150 -13.581 -2.119 1.00 0.00 O ATOM 1230 CB ALA A 82 -1.183 -16.524 -1.421 1.00 0.00 C ATOM 0 H ALA A 82 0.739 -17.584 -2.567 1.00 0.00 H new ATOM 0 HA ALA A 82 -1.028 -16.044 -3.636 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -2.157 -16.069 -1.244 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -1.306 -17.596 -1.578 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -0.541 -16.355 -0.556 1.00 0.00 H new ATOM 1236 N GLY A 83 -1.750 -13.862 -3.184 1.00 0.00 N ATOM 1237 CA GLY A 83 -2.094 -12.409 -3.271 1.00 0.00 C ATOM 1238 C GLY A 83 -2.320 -11.592 -2.005 1.00 0.00 C ATOM 1239 O GLY A 83 -3.405 -11.083 -1.803 1.00 0.00 O ATOM 0 H GLY A 83 -2.457 -14.467 -3.602 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -1.295 -11.922 -3.830 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -2.999 -12.328 -3.872 1.00 0.00 H new ATOM 1243 N GLU A 84 -1.326 -11.496 -1.184 1.00 0.00 N ATOM 1244 CA GLU A 84 -1.505 -10.687 0.065 1.00 0.00 C ATOM 1245 C GLU A 84 -0.553 -9.465 0.267 1.00 0.00 C ATOM 1246 O GLU A 84 -0.792 -8.583 1.067 1.00 0.00 O ATOM 1247 CB GLU A 84 -1.375 -11.698 1.246 1.00 0.00 C ATOM 1248 CG GLU A 84 -2.649 -11.583 2.169 1.00 0.00 C ATOM 1249 CD GLU A 84 -2.760 -10.229 2.827 1.00 0.00 C ATOM 1250 OE1 GLU A 84 -1.922 -9.943 3.645 1.00 0.00 O ATOM 1251 OE2 GLU A 84 -3.664 -9.491 2.510 1.00 0.00 O ATOM 0 H GLU A 84 -0.410 -11.928 -1.308 1.00 0.00 H new ATOM 0 HA GLU A 84 -2.479 -10.201 0.001 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -1.280 -12.714 0.862 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -0.474 -11.489 1.822 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -3.543 -11.770 1.575 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -2.609 -12.355 2.937 1.00 0.00 H new ATOM 1258 N TYR A 85 0.515 -9.403 -0.477 1.00 0.00 N ATOM 1259 CA TYR A 85 1.490 -8.246 -0.304 1.00 0.00 C ATOM 1260 C TYR A 85 0.930 -6.798 -0.300 1.00 0.00 C ATOM 1261 O TYR A 85 0.062 -6.407 -1.065 1.00 0.00 O ATOM 1262 CB TYR A 85 2.622 -8.318 -1.406 1.00 0.00 C ATOM 1263 CG TYR A 85 2.443 -9.461 -2.396 1.00 0.00 C ATOM 1264 CD1 TYR A 85 2.567 -10.765 -1.984 1.00 0.00 C ATOM 1265 CD2 TYR A 85 2.150 -9.196 -3.709 1.00 0.00 C ATOM 1266 CE1 TYR A 85 2.396 -11.795 -2.883 1.00 0.00 C ATOM 1267 CE2 TYR A 85 1.982 -10.230 -4.603 1.00 0.00 C ATOM 1268 CZ TYR A 85 2.103 -11.529 -4.193 1.00 0.00 C ATOM 1269 OH TYR A 85 1.928 -12.553 -5.087 1.00 0.00 O ATOM 0 H TYR A 85 0.769 -10.084 -1.193 1.00 0.00 H new ATOM 0 HA TYR A 85 1.849 -8.406 0.713 1.00 0.00 H new ATOM 0 HB2 TYR A 85 2.644 -7.376 -1.953 1.00 0.00 H new ATOM 0 HB3 TYR A 85 3.589 -8.424 -0.914 1.00 0.00 H new ATOM 0 HD1 TYR A 85 2.799 -10.984 -0.952 1.00 0.00 H new ATOM 0 HD2 TYR A 85 2.051 -8.174 -4.043 1.00 0.00 H new ATOM 0 HE1 TYR A 85 2.494 -12.818 -2.552 1.00 0.00 H new ATOM 0 HE2 TYR A 85 1.753 -10.013 -5.636 1.00 0.00 H new ATOM 0 HH TYR A 85 1.940 -13.409 -4.610 1.00 0.00 H new ATOM 1279 N THR A 86 1.506 -6.050 0.596 1.00 0.00 N ATOM 1280 CA THR A 86 1.169 -4.606 0.830 1.00 0.00 C ATOM 1281 C THR A 86 2.357 -3.683 0.492 1.00 0.00 C ATOM 1282 O THR A 86 3.506 -3.965 0.767 1.00 0.00 O ATOM 1283 CB THR A 86 0.815 -4.396 2.308 1.00 0.00 C ATOM 1284 OG1 THR A 86 -0.071 -5.452 2.654 1.00 0.00 O ATOM 1285 CG2 THR A 86 -0.094 -3.214 2.514 1.00 0.00 C ATOM 0 H THR A 86 2.240 -6.397 1.214 1.00 0.00 H new ATOM 0 HA THR A 86 0.328 -4.357 0.183 1.00 0.00 H new ATOM 0 HB THR A 86 1.753 -4.307 2.857 1.00 0.00 H new ATOM 0 HG1 THR A 86 -0.847 -5.086 3.128 1.00 0.00 H new ATOM 0 HG21 THR A 86 -0.316 -3.106 3.576 1.00 0.00 H new ATOM 0 HG22 THR A 86 0.397 -2.310 2.153 1.00 0.00 H new ATOM 0 HG23 THR A 86 -1.022 -3.368 1.963 1.00 0.00 H new ATOM 1293 N PHE A 87 2.040 -2.583 -0.120 1.00 0.00 N ATOM 1294 CA PHE A 87 3.025 -1.544 -0.533 1.00 0.00 C ATOM 1295 C PHE A 87 2.803 -0.159 0.108 1.00 0.00 C ATOM 1296 O PHE A 87 1.721 0.381 0.026 1.00 0.00 O ATOM 1297 CB PHE A 87 2.990 -1.372 -2.075 1.00 0.00 C ATOM 1298 CG PHE A 87 1.680 -1.854 -2.673 1.00 0.00 C ATOM 1299 CD1 PHE A 87 1.440 -3.203 -2.732 1.00 0.00 C ATOM 1300 CD2 PHE A 87 0.735 -0.977 -3.145 1.00 0.00 C ATOM 1301 CE1 PHE A 87 0.275 -3.683 -3.253 1.00 0.00 C ATOM 1302 CE2 PHE A 87 -0.444 -1.451 -3.673 1.00 0.00 C ATOM 1303 CZ PHE A 87 -0.680 -2.809 -3.730 1.00 0.00 C ATOM 0 H PHE A 87 1.079 -2.347 -0.366 1.00 0.00 H new ATOM 0 HA PHE A 87 3.991 -1.908 -0.182 1.00 0.00 H new ATOM 0 HB2 PHE A 87 3.138 -0.322 -2.326 1.00 0.00 H new ATOM 0 HB3 PHE A 87 3.817 -1.925 -2.520 1.00 0.00 H new ATOM 0 HD1 PHE A 87 2.183 -3.894 -2.361 1.00 0.00 H new ATOM 0 HD2 PHE A 87 0.917 0.087 -3.102 1.00 0.00 H new ATOM 0 HE1 PHE A 87 0.100 -4.748 -3.292 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -1.186 -0.759 -4.043 1.00 0.00 H new ATOM 0 HZ PHE A 87 -1.604 -3.185 -4.144 1.00 0.00 H new ATOM 1313 N TYR A 88 3.799 0.388 0.727 1.00 0.00 N ATOM 1314 CA TYR A 88 3.680 1.729 1.375 1.00 0.00 C ATOM 1315 C TYR A 88 4.628 2.820 0.820 1.00 0.00 C ATOM 1316 O TYR A 88 5.747 2.520 0.447 1.00 0.00 O ATOM 1317 CB TYR A 88 3.930 1.530 2.893 1.00 0.00 C ATOM 1318 CG TYR A 88 5.196 0.703 3.090 1.00 0.00 C ATOM 1319 CD1 TYR A 88 5.116 -0.669 3.023 1.00 0.00 C ATOM 1320 CD2 TYR A 88 6.417 1.295 3.314 1.00 0.00 C ATOM 1321 CE1 TYR A 88 6.241 -1.440 3.177 1.00 0.00 C ATOM 1322 CE2 TYR A 88 7.542 0.510 3.467 1.00 0.00 C ATOM 1323 CZ TYR A 88 7.462 -0.858 3.400 1.00 0.00 C ATOM 1324 OH TYR A 88 8.587 -1.630 3.555 1.00 0.00 O ATOM 0 H TYR A 88 4.719 -0.043 0.818 1.00 0.00 H new ATOM 0 HA TYR A 88 2.681 2.105 1.157 1.00 0.00 H new ATOM 0 HB2 TYR A 88 4.033 2.497 3.386 1.00 0.00 H new ATOM 0 HB3 TYR A 88 3.078 1.027 3.351 1.00 0.00 H new ATOM 0 HD1 TYR A 88 4.161 -1.143 2.848 1.00 0.00 H new ATOM 0 HD2 TYR A 88 6.495 2.371 3.370 1.00 0.00 H new ATOM 0 HE1 TYR A 88 6.164 -2.516 3.122 1.00 0.00 H new ATOM 0 HE2 TYR A 88 8.499 0.979 3.642 1.00 0.00 H new ATOM 0 HH TYR A 88 8.476 -2.472 3.065 1.00 0.00 H new ATOM 1334 N CYS A 89 4.184 4.045 0.771 1.00 0.00 N ATOM 1335 CA CYS A 89 5.069 5.162 0.254 1.00 0.00 C ATOM 1336 C CYS A 89 6.207 5.511 1.286 1.00 0.00 C ATOM 1337 O CYS A 89 6.320 6.660 1.644 1.00 0.00 O ATOM 1338 CB CYS A 89 4.257 6.461 0.049 1.00 0.00 C ATOM 1339 SG CYS A 89 3.235 6.979 -1.336 1.00 0.00 S ATOM 0 H CYS A 89 3.251 4.335 1.063 1.00 0.00 H new ATOM 0 HA CYS A 89 5.490 4.808 -0.687 1.00 0.00 H new ATOM 0 HB2 CYS A 89 3.593 6.508 0.912 1.00 0.00 H new ATOM 0 HB3 CYS A 89 4.987 7.262 0.165 1.00 0.00 H new ATOM 0 HG CYS A 89 2.386 6.038 -1.624 1.00 0.00 H new ATOM 1344 N GLU A 90 7.008 4.589 1.731 1.00 0.00 N ATOM 1345 CA GLU A 90 8.114 4.872 2.734 1.00 0.00 C ATOM 1346 C GLU A 90 8.225 6.321 3.403 1.00 0.00 C ATOM 1347 O GLU A 90 7.901 6.430 4.573 1.00 0.00 O ATOM 1348 CB GLU A 90 9.377 4.408 1.944 1.00 0.00 C ATOM 1349 CG GLU A 90 10.710 4.670 2.718 1.00 0.00 C ATOM 1350 CD GLU A 90 11.885 4.106 1.960 1.00 0.00 C ATOM 1351 OE1 GLU A 90 12.081 4.484 0.823 1.00 0.00 O ATOM 1352 OE2 GLU A 90 12.591 3.289 2.509 1.00 0.00 O ATOM 0 H GLU A 90 6.954 3.612 1.442 1.00 0.00 H new ATOM 0 HA GLU A 90 7.925 4.344 3.669 1.00 0.00 H new ATOM 0 HB2 GLU A 90 9.292 3.343 1.727 1.00 0.00 H new ATOM 0 HB3 GLU A 90 9.411 4.927 0.986 1.00 0.00 H new ATOM 0 HG2 GLU A 90 10.846 5.741 2.866 1.00 0.00 H new ATOM 0 HG3 GLU A 90 10.657 4.216 3.708 1.00 0.00 H new ATOM 1359 N PRO A 91 8.639 7.380 2.728 1.00 0.00 N ATOM 1360 CA PRO A 91 8.641 8.775 3.311 1.00 0.00 C ATOM 1361 C PRO A 91 7.251 9.390 3.702 1.00 0.00 C ATOM 1362 O PRO A 91 7.129 10.213 4.588 1.00 0.00 O ATOM 1363 CB PRO A 91 9.391 9.577 2.230 1.00 0.00 C ATOM 1364 CG PRO A 91 8.962 8.841 0.933 1.00 0.00 C ATOM 1365 CD PRO A 91 9.141 7.363 1.328 1.00 0.00 C ATOM 0 HA PRO A 91 9.111 8.787 4.295 1.00 0.00 H new ATOM 0 HB2 PRO A 91 9.096 10.626 2.221 1.00 0.00 H new ATOM 0 HB3 PRO A 91 10.471 9.551 2.377 1.00 0.00 H new ATOM 0 HG2 PRO A 91 7.932 9.068 0.657 1.00 0.00 H new ATOM 0 HG3 PRO A 91 9.587 9.115 0.083 1.00 0.00 H new ATOM 0 HD2 PRO A 91 8.563 6.693 0.691 1.00 0.00 H new ATOM 0 HD3 PRO A 91 10.181 7.043 1.267 1.00 0.00 H new ATOM 1373 N HIS A 92 6.214 8.972 3.038 1.00 0.00 N ATOM 1374 CA HIS A 92 4.810 9.471 3.294 1.00 0.00 C ATOM 1375 C HIS A 92 4.164 8.655 4.445 1.00 0.00 C ATOM 1376 O HIS A 92 3.201 7.930 4.264 1.00 0.00 O ATOM 1377 CB HIS A 92 3.958 9.314 1.978 1.00 0.00 C ATOM 1378 CG HIS A 92 4.102 10.439 0.944 1.00 0.00 C ATOM 1379 ND1 HIS A 92 3.826 10.279 -0.355 1.00 0.00 N ATOM 1380 CD2 HIS A 92 4.501 11.742 1.190 1.00 0.00 C ATOM 1381 CE1 HIS A 92 4.062 11.475 -0.864 1.00 0.00 C ATOM 1382 NE2 HIS A 92 4.448 12.311 0.030 1.00 0.00 N ATOM 0 H HIS A 92 6.272 8.276 2.295 1.00 0.00 H new ATOM 0 HA HIS A 92 4.841 10.522 3.583 1.00 0.00 H new ATOM 0 HB2 HIS A 92 4.232 8.373 1.502 1.00 0.00 H new ATOM 0 HB3 HIS A 92 2.907 9.236 2.257 1.00 0.00 H new ATOM 0 HD2 HIS A 92 4.790 12.182 2.133 1.00 0.00 H new ATOM 0 HE1 HIS A 92 3.944 11.720 -1.909 1.00 0.00 H new ATOM 0 HE2 HIS A 92 4.680 13.288 -0.149 1.00 0.00 H new ATOM 1390 N ARG A 93 4.719 8.804 5.614 1.00 0.00 N ATOM 1391 CA ARG A 93 4.185 8.067 6.812 1.00 0.00 C ATOM 1392 C ARG A 93 3.049 8.873 7.507 1.00 0.00 C ATOM 1393 O ARG A 93 2.961 10.079 7.397 1.00 0.00 O ATOM 1394 CB ARG A 93 5.418 7.827 7.726 1.00 0.00 C ATOM 1395 CG ARG A 93 5.049 7.014 9.004 1.00 0.00 C ATOM 1396 CD ARG A 93 6.353 6.700 9.741 1.00 0.00 C ATOM 1397 NE ARG A 93 5.975 5.889 10.964 1.00 0.00 N ATOM 1398 CZ ARG A 93 6.350 6.204 12.131 1.00 0.00 C ATOM 1399 NH1 ARG A 93 5.690 7.064 12.753 1.00 0.00 N ATOM 1400 NH2 ARG A 93 7.362 5.627 12.589 1.00 0.00 N ATOM 0 H ARG A 93 5.522 9.404 5.801 1.00 0.00 H new ATOM 0 HA ARG A 93 3.719 7.118 6.547 1.00 0.00 H new ATOM 0 HB2 ARG A 93 6.186 7.293 7.166 1.00 0.00 H new ATOM 0 HB3 ARG A 93 5.845 8.786 8.018 1.00 0.00 H new ATOM 0 HG2 ARG A 93 4.376 7.587 9.642 1.00 0.00 H new ATOM 0 HG3 ARG A 93 4.529 6.094 8.737 1.00 0.00 H new ATOM 0 HD2 ARG A 93 7.035 6.140 9.101 1.00 0.00 H new ATOM 0 HD3 ARG A 93 6.866 7.618 10.028 1.00 0.00 H new ATOM 0 HE ARG A 93 5.396 5.058 10.842 1.00 0.00 H new ATOM 0 HH11 ARG A 93 4.873 7.492 12.318 1.00 0.00 H new ATOM 0 HH12 ARG A 93 5.969 7.338 13.695 1.00 0.00 H new ATOM 0 HH21 ARG A 93 7.851 4.932 12.026 1.00 0.00 H new ATOM 0 HH22 ARG A 93 7.697 5.852 13.526 1.00 0.00 H new ATOM 1414 N GLY A 94 2.177 8.198 8.210 1.00 0.00 N ATOM 1415 CA GLY A 94 1.038 8.917 8.917 1.00 0.00 C ATOM 1416 C GLY A 94 -0.151 9.131 7.977 1.00 0.00 C ATOM 1417 O GLY A 94 -1.258 8.699 8.218 1.00 0.00 O ATOM 0 H GLY A 94 2.191 7.186 8.334 1.00 0.00 H new ATOM 0 HA2 GLY A 94 0.720 8.336 9.783 1.00 0.00 H new ATOM 0 HA3 GLY A 94 1.388 9.880 9.290 1.00 0.00 H new ATOM 1421 N ALA A 95 0.129 9.796 6.898 1.00 0.00 N ATOM 1422 CA ALA A 95 -0.911 10.104 5.862 1.00 0.00 C ATOM 1423 C ALA A 95 -1.169 8.886 4.915 1.00 0.00 C ATOM 1424 O ALA A 95 -0.851 8.875 3.745 1.00 0.00 O ATOM 1425 CB ALA A 95 -0.384 11.358 5.132 1.00 0.00 C ATOM 0 H ALA A 95 1.059 10.153 6.677 1.00 0.00 H new ATOM 0 HA ALA A 95 -1.891 10.297 6.299 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -1.090 11.650 4.355 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -0.272 12.174 5.846 1.00 0.00 H new ATOM 0 HB3 ALA A 95 0.583 11.136 4.679 1.00 0.00 H new ATOM 1431 N GLY A 96 -1.742 7.895 5.538 1.00 0.00 N ATOM 1432 CA GLY A 96 -2.152 6.550 4.950 1.00 0.00 C ATOM 1433 C GLY A 96 -1.822 6.136 3.505 1.00 0.00 C ATOM 1434 O GLY A 96 -2.662 5.597 2.811 1.00 0.00 O ATOM 0 H GLY A 96 -1.970 7.959 6.530 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -1.724 5.785 5.597 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -3.235 6.484 5.052 1.00 0.00 H new ATOM 1438 N MET A 97 -0.615 6.367 3.086 1.00 0.00 N ATOM 1439 CA MET A 97 -0.203 5.986 1.685 1.00 0.00 C ATOM 1440 C MET A 97 0.214 4.486 1.580 1.00 0.00 C ATOM 1441 O MET A 97 1.339 4.142 1.259 1.00 0.00 O ATOM 1442 CB MET A 97 0.964 6.928 1.284 1.00 0.00 C ATOM 1443 CG MET A 97 0.474 8.383 1.212 1.00 0.00 C ATOM 1444 SD MET A 97 0.927 9.328 -0.263 1.00 0.00 S ATOM 1445 CE MET A 97 -0.568 8.983 -1.217 1.00 0.00 C ATOM 0 H MET A 97 0.117 6.805 3.645 1.00 0.00 H new ATOM 0 HA MET A 97 -1.046 6.101 1.004 1.00 0.00 H new ATOM 0 HB2 MET A 97 1.773 6.845 2.010 1.00 0.00 H new ATOM 0 HB3 MET A 97 1.369 6.625 0.319 1.00 0.00 H new ATOM 0 HG2 MET A 97 -0.613 8.379 1.292 1.00 0.00 H new ATOM 0 HG3 MET A 97 0.856 8.913 2.085 1.00 0.00 H new ATOM 0 HE1 MET A 97 -0.297 8.505 -2.158 1.00 0.00 H new ATOM 0 HE2 MET A 97 -1.218 8.320 -0.647 1.00 0.00 H new ATOM 0 HE3 MET A 97 -1.092 9.916 -1.422 1.00 0.00 H new ATOM 1455 N VAL A 98 -0.745 3.664 1.901 1.00 0.00 N ATOM 1456 CA VAL A 98 -0.629 2.174 1.888 1.00 0.00 C ATOM 1457 C VAL A 98 -1.595 1.382 0.944 1.00 0.00 C ATOM 1458 O VAL A 98 -2.795 1.571 0.994 1.00 0.00 O ATOM 1459 CB VAL A 98 -0.836 1.719 3.353 1.00 0.00 C ATOM 1460 CG1 VAL A 98 0.314 2.211 4.245 1.00 0.00 C ATOM 1461 CG2 VAL A 98 -2.134 2.302 3.953 1.00 0.00 C ATOM 0 H VAL A 98 -1.667 3.988 2.192 1.00 0.00 H new ATOM 0 HA VAL A 98 0.351 1.941 1.471 1.00 0.00 H new ATOM 0 HB VAL A 98 -0.882 0.630 3.328 1.00 0.00 H new ATOM 0 HG11 VAL A 98 0.147 1.879 5.270 1.00 0.00 H new ATOM 0 HG12 VAL A 98 1.257 1.803 3.881 1.00 0.00 H new ATOM 0 HG13 VAL A 98 0.355 3.300 4.218 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -2.245 1.960 4.982 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -2.086 3.391 3.935 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -2.989 1.967 3.366 1.00 0.00 H new ATOM 1471 N GLY A 99 -1.079 0.526 0.097 1.00 0.00 N ATOM 1472 CA GLY A 99 -1.969 -0.288 -0.839 1.00 0.00 C ATOM 1473 C GLY A 99 -1.717 -1.804 -0.752 1.00 0.00 C ATOM 1474 O GLY A 99 -0.668 -2.222 -0.319 1.00 0.00 O ATOM 0 H GLY A 99 -0.080 0.344 0.001 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -3.014 -0.086 -0.603 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -1.804 0.043 -1.865 1.00 0.00 H new ATOM 1478 N LYS A 100 -2.657 -2.607 -1.153 1.00 0.00 N ATOM 1479 CA LYS A 100 -2.506 -4.105 -1.114 1.00 0.00 C ATOM 1480 C LYS A 100 -2.945 -4.772 -2.448 1.00 0.00 C ATOM 1481 O LYS A 100 -3.951 -4.420 -3.040 1.00 0.00 O ATOM 1482 CB LYS A 100 -3.350 -4.621 0.085 1.00 0.00 C ATOM 1483 CG LYS A 100 -3.313 -6.179 0.105 1.00 0.00 C ATOM 1484 CD LYS A 100 -4.177 -6.726 1.280 1.00 0.00 C ATOM 1485 CE LYS A 100 -3.509 -6.539 2.649 1.00 0.00 C ATOM 1486 NZ LYS A 100 -2.267 -7.332 2.645 1.00 0.00 N ATOM 0 H LYS A 100 -3.554 -2.288 -1.519 1.00 0.00 H new ATOM 0 HA LYS A 100 -1.456 -4.370 -0.986 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -2.956 -4.224 1.020 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -4.379 -4.271 -0.001 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -3.685 -6.570 -0.842 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -2.284 -6.524 0.210 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -5.143 -6.221 1.280 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -4.372 -7.786 1.118 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -3.292 -5.486 2.829 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -4.173 -6.869 3.448 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -2.215 -7.899 3.515 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -2.261 -7.964 1.819 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -1.448 -6.693 2.598 1.00 0.00 H new ATOM 1500 N ILE A 101 -2.175 -5.725 -2.892 1.00 0.00 N ATOM 1501 CA ILE A 101 -2.506 -6.444 -4.170 1.00 0.00 C ATOM 1502 C ILE A 101 -2.859 -7.942 -3.944 1.00 0.00 C ATOM 1503 O ILE A 101 -2.118 -8.709 -3.355 1.00 0.00 O ATOM 1504 CB ILE A 101 -1.268 -6.302 -5.148 1.00 0.00 C ATOM 1505 CG1 ILE A 101 -1.816 -6.153 -6.578 1.00 0.00 C ATOM 1506 CG2 ILE A 101 -0.353 -7.547 -5.110 1.00 0.00 C ATOM 1507 CD1 ILE A 101 -0.682 -6.290 -7.636 1.00 0.00 C ATOM 0 H ILE A 101 -1.325 -6.044 -2.428 1.00 0.00 H new ATOM 0 HA ILE A 101 -3.397 -5.990 -4.605 1.00 0.00 H new ATOM 0 HB ILE A 101 -0.678 -5.439 -4.837 1.00 0.00 H new ATOM 0 HG12 ILE A 101 -2.578 -6.911 -6.758 1.00 0.00 H new ATOM 0 HG13 ILE A 101 -2.300 -5.182 -6.685 1.00 0.00 H new ATOM 0 HG21 ILE A 101 0.482 -7.406 -5.796 1.00 0.00 H new ATOM 0 HG22 ILE A 101 0.028 -7.688 -4.098 1.00 0.00 H new ATOM 0 HG23 ILE A 101 -0.923 -8.427 -5.409 1.00 0.00 H new ATOM 0 HD11 ILE A 101 -1.102 -6.180 -8.636 1.00 0.00 H new ATOM 0 HD12 ILE A 101 0.066 -5.515 -7.469 1.00 0.00 H new ATOM 0 HD13 ILE A 101 -0.215 -7.271 -7.544 1.00 0.00 H new ATOM 1519 N THR A 102 -3.994 -8.343 -4.426 1.00 0.00 N ATOM 1520 CA THR A 102 -4.431 -9.771 -4.271 1.00 0.00 C ATOM 1521 C THR A 102 -4.341 -10.495 -5.591 1.00 0.00 C ATOM 1522 O THR A 102 -5.218 -10.465 -6.425 1.00 0.00 O ATOM 1523 CB THR A 102 -5.878 -9.829 -3.724 1.00 0.00 C ATOM 1524 OG1 THR A 102 -5.723 -9.452 -2.374 1.00 0.00 O ATOM 1525 CG2 THR A 102 -6.344 -11.254 -3.498 1.00 0.00 C ATOM 0 H THR A 102 -4.651 -7.745 -4.927 1.00 0.00 H new ATOM 0 HA THR A 102 -3.767 -10.264 -3.561 1.00 0.00 H new ATOM 0 HB THR A 102 -6.531 -9.266 -4.391 1.00 0.00 H new ATOM 0 HG1 THR A 102 -4.974 -9.946 -1.980 1.00 0.00 H new ATOM 0 HG21 THR A 102 -7.364 -11.247 -3.114 1.00 0.00 H new ATOM 0 HG22 THR A 102 -6.315 -11.800 -4.441 1.00 0.00 H new ATOM 0 HG23 THR A 102 -5.688 -11.741 -2.776 1.00 0.00 H new ATOM 1533 N VAL A 103 -3.235 -11.163 -5.725 1.00 0.00 N ATOM 1534 CA VAL A 103 -2.950 -11.938 -6.987 1.00 0.00 C ATOM 1535 C VAL A 103 -3.717 -13.271 -7.116 1.00 0.00 C ATOM 1536 O VAL A 103 -3.151 -14.338 -7.084 1.00 0.00 O ATOM 1537 CB VAL A 103 -1.401 -12.160 -7.042 1.00 0.00 C ATOM 1538 CG1 VAL A 103 -0.963 -12.515 -8.454 1.00 0.00 C ATOM 1539 CG2 VAL A 103 -0.608 -10.944 -6.573 1.00 0.00 C ATOM 0 H VAL A 103 -2.503 -11.214 -5.017 1.00 0.00 H new ATOM 0 HA VAL A 103 -3.309 -11.357 -7.836 1.00 0.00 H new ATOM 0 HB VAL A 103 -1.190 -12.982 -6.359 1.00 0.00 H new ATOM 0 HG11 VAL A 103 0.116 -12.666 -8.473 1.00 0.00 H new ATOM 0 HG12 VAL A 103 -1.463 -13.430 -8.771 1.00 0.00 H new ATOM 0 HG13 VAL A 103 -1.228 -11.704 -9.132 1.00 0.00 H new ATOM 0 HG21 VAL A 103 0.459 -11.160 -6.634 1.00 0.00 H new ATOM 0 HG22 VAL A 103 -0.843 -10.090 -7.208 1.00 0.00 H new ATOM 0 HG23 VAL A 103 -0.873 -10.713 -5.541 1.00 0.00 H new ATOM 1549 N ALA A 104 -5.002 -13.121 -7.288 1.00 0.00 N ATOM 1550 CA ALA A 104 -5.983 -14.257 -7.432 1.00 0.00 C ATOM 1551 C ALA A 104 -5.467 -15.721 -7.170 1.00 0.00 C ATOM 1552 O ALA A 104 -5.424 -16.557 -8.055 1.00 0.00 O ATOM 1553 CB ALA A 104 -6.561 -14.069 -8.858 1.00 0.00 C ATOM 0 H ALA A 104 -5.444 -12.203 -7.338 1.00 0.00 H new ATOM 0 HA ALA A 104 -6.720 -14.190 -6.631 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -7.291 -14.853 -9.061 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -7.045 -13.095 -8.929 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -5.754 -14.127 -9.588 1.00 0.00 H new ATOM 1559 N GLY A 105 -5.121 -15.914 -5.926 1.00 0.00 N ATOM 1560 CA GLY A 105 -4.589 -17.198 -5.348 1.00 0.00 C ATOM 1561 C GLY A 105 -3.620 -16.878 -4.200 1.00 0.00 C ATOM 1562 O GLY A 105 -2.805 -17.737 -3.917 1.00 0.00 O ATOM 1563 OXT GLY A 105 -3.747 -15.795 -3.650 1.00 0.00 O ATOM 0 H GLY A 105 -5.191 -15.173 -5.228 1.00 0.00 H new ATOM 0 HA2 GLY A 105 -5.411 -17.814 -4.984 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -4.078 -17.773 -6.120 1.00 0.00 H new