USER MOD reduce.3.24.130724 H: found=0, std=0, add=677, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 452 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 24 ASN :FLIP amide:sc= 0 F(o=-0.69,f=0) USER MOD Set 1.2: A 33 ASN :FLIP amide:sc= 0 X(o=-0.17,f=0) USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 75:sc= 0.245 USER MOD Single : A 13 MET CE :methyl -151:sc= -0.664 (180deg=-3.7!) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0.0477 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 LYS NZ :NH3+ -161:sc= -0.353 (180deg=-1.24!) USER MOD Single : A 27 LYS NZ :NH3+ -177:sc= -2.11 (180deg=-2.3) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.12) USER MOD Single : A 34 HIS : no HD1:sc= -1.92! C(o=-1.9!,f=-3.4!) USER MOD Single : A 35 CYS SG : rot 180:sc= -6.94! USER MOD Single : A 37 THR OG1 : rot 180:sc= -0.388 USER MOD Single : A 39 ASN : amide:sc= -0.0252 X(o=-0.025,f=-0.025) USER MOD Single : A 40 CYS SG : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 48 ASN : amide:sc= -0.239 K(o=-0.24,f=-1.7!) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=-0.13) USER MOD Single : A 50 SER OG : rot 160:sc=-0.00683 USER MOD Single : A 53 ASN : amide:sc= 0 X(o=0,f=-0.014) USER MOD Single : A 55 GLN : amide:sc= -0.257 K(o=-0.26,f=-2.5!) USER MOD Single : A 59 MET CE :methyl -106:sc= -0.0168 (180deg=-0.18) USER MOD Single : A 62 SER OG : rot 180:sc= -0.0305 USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 66 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 69 TYR OH : rot 109:sc= 0.274 USER MOD Single : A 71 GLN : amide:sc= -0.0156 X(o=-0.016,f=-0.21) USER MOD Single : A 76 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 77 SER OG : rot 90:sc= -0.026 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 SER OG : rot -46:sc= 1.21 USER MOD Single : A 92 ASN : amide:sc= -2.85! C(o=-2.9!,f=-7.5!) USER MOD Single : A 97 TYR OH : rot -36:sc= 1.57 USER MOD Single : A 98 TYR OH : rot 180:sc= -1.31 USER MOD ----------------------------------------------------------------- ATOM 11 N LEU A 6 11.795 -8.958 1.327 1.00 0.00 N ATOM 12 CA LEU A 6 10.720 -7.974 1.280 1.00 0.00 C ATOM 13 C LEU A 6 10.906 -7.026 0.098 1.00 0.00 C ATOM 14 O LEU A 6 9.943 -6.440 -0.397 1.00 0.00 O ATOM 15 CB LEU A 6 10.669 -7.179 2.587 1.00 0.00 C ATOM 16 CG LEU A 6 9.407 -7.390 3.425 1.00 0.00 C ATOM 17 CD1 LEU A 6 9.671 -7.042 4.881 1.00 0.00 C ATOM 18 CD2 LEU A 6 8.257 -6.558 2.876 1.00 0.00 C ATOM 0 HA LEU A 6 9.777 -8.506 1.152 1.00 0.00 H new ATOM 0 HB2 LEU A 6 11.536 -7.446 3.191 1.00 0.00 H new ATOM 0 HB3 LEU A 6 10.758 -6.118 2.353 1.00 0.00 H new ATOM 0 HG LEU A 6 9.127 -8.442 3.368 1.00 0.00 H new ATOM 0 HD11 LEU A 6 8.763 -7.198 5.463 1.00 0.00 H new ATOM 0 HD12 LEU A 6 10.465 -7.680 5.269 1.00 0.00 H new ATOM 0 HD13 LEU A 6 9.975 -5.998 4.956 1.00 0.00 H new ATOM 0 HD21 LEU A 6 7.367 -6.721 3.484 1.00 0.00 H new ATOM 0 HD22 LEU A 6 8.527 -5.502 2.902 1.00 0.00 H new ATOM 0 HD23 LEU A 6 8.052 -6.854 1.847 1.00 0.00 H new ATOM 28 N GLY A 7 12.151 -6.890 -0.352 1.00 0.00 N ATOM 29 CA GLY A 7 12.441 -6.017 -1.475 1.00 0.00 C ATOM 30 C GLY A 7 11.977 -6.605 -2.793 1.00 0.00 C ATOM 31 O GLY A 7 11.481 -5.886 -3.661 1.00 0.00 O ATOM 0 H GLY A 7 12.962 -7.368 0.041 1.00 0.00 H new ATOM 0 HA2 GLY A 7 11.956 -5.053 -1.318 1.00 0.00 H new ATOM 0 HA3 GLY A 7 13.514 -5.830 -1.520 1.00 0.00 H new ATOM 35 N ALA A 8 12.133 -7.918 -2.942 1.00 0.00 N ATOM 36 CA ALA A 8 11.723 -8.606 -4.160 1.00 0.00 C ATOM 37 C ALA A 8 10.215 -8.511 -4.352 1.00 0.00 C ATOM 38 O ALA A 8 9.734 -8.254 -5.456 1.00 0.00 O ATOM 39 CB ALA A 8 12.163 -10.062 -4.119 1.00 0.00 C ATOM 0 H ALA A 8 12.541 -8.526 -2.232 1.00 0.00 H new ATOM 0 HA ALA A 8 12.206 -8.120 -5.008 1.00 0.00 H new ATOM 0 HB1 ALA A 8 11.850 -10.563 -5.035 1.00 0.00 H new ATOM 0 HB2 ALA A 8 13.248 -10.112 -4.031 1.00 0.00 H new ATOM 0 HB3 ALA A 8 11.707 -10.556 -3.261 1.00 0.00 H new ATOM 45 N LEU A 9 9.473 -8.716 -3.267 1.00 0.00 N ATOM 46 CA LEU A 9 8.018 -8.648 -3.313 1.00 0.00 C ATOM 47 C LEU A 9 7.560 -7.241 -3.681 1.00 0.00 C ATOM 48 O LEU A 9 6.702 -7.066 -4.547 1.00 0.00 O ATOM 49 CB LEU A 9 7.422 -9.061 -1.968 1.00 0.00 C ATOM 50 CG LEU A 9 5.900 -9.200 -1.947 1.00 0.00 C ATOM 51 CD1 LEU A 9 5.449 -10.241 -2.955 1.00 0.00 C ATOM 52 CD2 LEU A 9 5.422 -9.562 -0.551 1.00 0.00 C ATOM 0 H LEU A 9 9.856 -8.930 -2.346 1.00 0.00 H new ATOM 0 HA LEU A 9 7.666 -9.340 -4.078 1.00 0.00 H new ATOM 0 HB2 LEU A 9 7.862 -10.013 -1.670 1.00 0.00 H new ATOM 0 HB3 LEU A 9 7.714 -8.326 -1.218 1.00 0.00 H new ATOM 0 HG LEU A 9 5.459 -8.242 -2.224 1.00 0.00 H new ATOM 0 HD11 LEU A 9 4.363 -10.328 -2.927 1.00 0.00 H new ATOM 0 HD12 LEU A 9 5.764 -9.940 -3.954 1.00 0.00 H new ATOM 0 HD13 LEU A 9 5.896 -11.204 -2.708 1.00 0.00 H new ATOM 0 HD21 LEU A 9 4.336 -9.658 -0.552 1.00 0.00 H new ATOM 0 HD22 LEU A 9 5.869 -10.508 -0.247 1.00 0.00 H new ATOM 0 HD23 LEU A 9 5.717 -8.780 0.149 1.00 0.00 H new ATOM 62 N TYR A 10 8.145 -6.244 -3.022 1.00 0.00 N ATOM 63 CA TYR A 10 7.804 -4.850 -3.282 1.00 0.00 C ATOM 64 C TYR A 10 7.993 -4.526 -4.762 1.00 0.00 C ATOM 65 O TYR A 10 7.185 -3.816 -5.360 1.00 0.00 O ATOM 66 CB TYR A 10 8.671 -3.923 -2.419 1.00 0.00 C ATOM 67 CG TYR A 10 8.698 -2.484 -2.892 1.00 0.00 C ATOM 68 CD1 TYR A 10 7.711 -1.585 -2.507 1.00 0.00 C ATOM 69 CD2 TYR A 10 9.716 -2.026 -3.720 1.00 0.00 C ATOM 70 CE1 TYR A 10 7.736 -0.268 -2.936 1.00 0.00 C ATOM 71 CE2 TYR A 10 9.747 -0.715 -4.154 1.00 0.00 C ATOM 72 CZ TYR A 10 8.756 0.160 -3.760 1.00 0.00 C ATOM 73 OH TYR A 10 8.786 1.467 -4.188 1.00 0.00 O ATOM 0 H TYR A 10 8.857 -6.377 -2.304 1.00 0.00 H new ATOM 0 HA TYR A 10 6.757 -4.692 -3.022 1.00 0.00 H new ATOM 0 HB2 TYR A 10 8.303 -3.950 -1.393 1.00 0.00 H new ATOM 0 HB3 TYR A 10 9.691 -4.308 -2.403 1.00 0.00 H new ATOM 0 HD1 TYR A 10 6.911 -1.918 -1.863 1.00 0.00 H new ATOM 0 HD2 TYR A 10 10.496 -2.706 -4.029 1.00 0.00 H new ATOM 0 HE1 TYR A 10 6.962 0.419 -2.627 1.00 0.00 H new ATOM 0 HE2 TYR A 10 10.544 -0.376 -4.799 1.00 0.00 H new ATOM 0 HH TYR A 10 9.569 1.606 -4.760 1.00 0.00 H new ATOM 81 N LEU A 11 9.061 -5.059 -5.345 1.00 0.00 N ATOM 82 CA LEU A 11 9.352 -4.833 -6.754 1.00 0.00 C ATOM 83 C LEU A 11 8.263 -5.444 -7.627 1.00 0.00 C ATOM 84 O LEU A 11 7.907 -4.894 -8.668 1.00 0.00 O ATOM 85 CB LEU A 11 10.713 -5.424 -7.120 1.00 0.00 C ATOM 86 CG LEU A 11 11.759 -4.402 -7.564 1.00 0.00 C ATOM 87 CD1 LEU A 11 13.157 -4.871 -7.187 1.00 0.00 C ATOM 88 CD2 LEU A 11 11.663 -4.160 -9.064 1.00 0.00 C ATOM 0 H LEU A 11 9.739 -5.650 -4.863 1.00 0.00 H new ATOM 0 HA LEU A 11 9.379 -3.758 -6.931 1.00 0.00 H new ATOM 0 HB2 LEU A 11 11.100 -5.968 -6.259 1.00 0.00 H new ATOM 0 HB3 LEU A 11 10.574 -6.151 -7.920 1.00 0.00 H new ATOM 0 HG LEU A 11 11.562 -3.461 -7.050 1.00 0.00 H new ATOM 0 HD11 LEU A 11 13.889 -4.131 -7.511 1.00 0.00 H new ATOM 0 HD12 LEU A 11 13.220 -4.995 -6.106 1.00 0.00 H new ATOM 0 HD13 LEU A 11 13.365 -5.824 -7.674 1.00 0.00 H new ATOM 0 HD21 LEU A 11 12.415 -3.430 -9.364 1.00 0.00 H new ATOM 0 HD22 LEU A 11 11.835 -5.096 -9.595 1.00 0.00 H new ATOM 0 HD23 LEU A 11 10.671 -3.781 -9.309 1.00 0.00 H new ATOM 98 N SER A 12 7.732 -6.581 -7.187 1.00 0.00 N ATOM 99 CA SER A 12 6.674 -7.263 -7.922 1.00 0.00 C ATOM 100 C SER A 12 5.438 -6.378 -8.010 1.00 0.00 C ATOM 101 O SER A 12 4.750 -6.359 -9.030 1.00 0.00 O ATOM 102 CB SER A 12 6.324 -8.592 -7.249 1.00 0.00 C ATOM 103 OG SER A 12 7.495 -9.310 -6.901 1.00 0.00 O ATOM 0 H SER A 12 8.017 -7.048 -6.326 1.00 0.00 H new ATOM 0 HA SER A 12 7.032 -7.469 -8.931 1.00 0.00 H new ATOM 0 HB2 SER A 12 5.729 -8.405 -6.355 1.00 0.00 H new ATOM 0 HB3 SER A 12 5.711 -9.193 -7.920 1.00 0.00 H new ATOM 0 HG SER A 12 7.909 -8.899 -6.113 1.00 0.00 H new ATOM 107 N MET A 13 5.173 -5.635 -6.938 1.00 0.00 N ATOM 108 CA MET A 13 4.025 -4.732 -6.906 1.00 0.00 C ATOM 109 C MET A 13 4.336 -3.464 -7.689 1.00 0.00 C ATOM 110 O MET A 13 3.433 -2.754 -8.132 1.00 0.00 O ATOM 111 CB MET A 13 3.636 -4.373 -5.465 1.00 0.00 C ATOM 112 CG MET A 13 4.471 -5.067 -4.399 1.00 0.00 C ATOM 113 SD MET A 13 3.558 -5.388 -2.874 1.00 0.00 S ATOM 114 CE MET A 13 2.577 -3.896 -2.717 1.00 0.00 C ATOM 0 H MET A 13 5.733 -5.640 -6.086 1.00 0.00 H new ATOM 0 HA MET A 13 3.181 -5.246 -7.367 1.00 0.00 H new ATOM 0 HB2 MET A 13 3.726 -3.295 -5.335 1.00 0.00 H new ATOM 0 HB3 MET A 13 2.587 -4.627 -5.310 1.00 0.00 H new ATOM 0 HG2 MET A 13 4.844 -6.011 -4.797 1.00 0.00 H new ATOM 0 HG3 MET A 13 5.341 -4.451 -4.171 1.00 0.00 H new ATOM 0 HE1 MET A 13 2.381 -3.698 -1.663 1.00 0.00 H new ATOM 0 HE2 MET A 13 3.121 -3.056 -3.149 1.00 0.00 H new ATOM 0 HE3 MET A 13 1.631 -4.025 -3.244 1.00 0.00 H new ATOM 120 N LYS A 14 5.626 -3.193 -7.864 1.00 0.00 N ATOM 121 CA LYS A 14 6.074 -2.019 -8.602 1.00 0.00 C ATOM 122 C LYS A 14 6.019 -2.278 -10.102 1.00 0.00 C ATOM 123 O LYS A 14 6.246 -1.376 -10.911 1.00 0.00 O ATOM 124 CB LYS A 14 7.499 -1.645 -8.190 1.00 0.00 C ATOM 125 CG LYS A 14 7.564 -0.523 -7.167 1.00 0.00 C ATOM 126 CD LYS A 14 8.027 0.780 -7.798 1.00 0.00 C ATOM 127 CE LYS A 14 9.506 0.737 -8.147 1.00 0.00 C ATOM 128 NZ LYS A 14 9.953 1.990 -8.816 1.00 0.00 N ATOM 0 H LYS A 14 6.382 -3.774 -7.502 1.00 0.00 H new ATOM 0 HA LYS A 14 5.407 -1.190 -8.365 1.00 0.00 H new ATOM 0 HB2 LYS A 14 7.993 -2.527 -7.781 1.00 0.00 H new ATOM 0 HB3 LYS A 14 8.058 -1.349 -9.077 1.00 0.00 H new ATOM 0 HG2 LYS A 14 6.581 -0.382 -6.717 1.00 0.00 H new ATOM 0 HG3 LYS A 14 8.245 -0.801 -6.363 1.00 0.00 H new ATOM 0 HD2 LYS A 14 7.445 0.976 -8.699 1.00 0.00 H new ATOM 0 HD3 LYS A 14 7.838 1.605 -7.111 1.00 0.00 H new ATOM 0 HE2 LYS A 14 10.089 0.582 -7.239 1.00 0.00 H new ATOM 0 HE3 LYS A 14 9.701 -0.113 -8.801 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 10.967 1.922 -9.038 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 9.414 2.125 -9.695 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 9.791 2.799 -8.183 1.00 0.00 H new ATOM 134 N ASP A 15 5.718 -3.521 -10.466 1.00 0.00 N ATOM 135 CA ASP A 15 5.633 -3.914 -11.867 1.00 0.00 C ATOM 136 C ASP A 15 4.463 -3.223 -12.559 1.00 0.00 C ATOM 137 O ASP A 15 3.843 -2.319 -11.998 1.00 0.00 O ATOM 138 CB ASP A 15 5.492 -5.435 -11.978 1.00 0.00 C ATOM 139 CG ASP A 15 6.054 -5.976 -13.277 1.00 0.00 C ATOM 140 OD1 ASP A 15 7.294 -6.001 -13.423 1.00 0.00 O ATOM 141 OD2 ASP A 15 5.256 -6.376 -14.150 1.00 0.00 O ATOM 0 H ASP A 15 5.528 -4.276 -9.806 1.00 0.00 H new ATOM 0 HA ASP A 15 6.551 -3.604 -12.366 1.00 0.00 H new ATOM 0 HB2 ASP A 15 6.005 -5.906 -11.140 1.00 0.00 H new ATOM 0 HB3 ASP A 15 4.439 -5.706 -11.901 1.00 0.00 H new ATOM 144 N THR A 16 4.171 -3.648 -13.782 1.00 0.00 N ATOM 145 CA THR A 16 3.081 -3.065 -14.556 1.00 0.00 C ATOM 146 C THR A 16 1.763 -3.796 -14.306 1.00 0.00 C ATOM 147 O THR A 16 0.980 -3.400 -13.441 1.00 0.00 O ATOM 148 CB THR A 16 3.393 -3.086 -16.065 1.00 0.00 C ATOM 149 OG1 THR A 16 4.285 -4.168 -16.364 1.00 0.00 O ATOM 150 CG2 THR A 16 4.018 -1.771 -16.507 1.00 0.00 C ATOM 0 H THR A 16 4.674 -4.395 -14.260 1.00 0.00 H new ATOM 0 HA THR A 16 2.980 -2.031 -14.226 1.00 0.00 H new ATOM 0 HB THR A 16 2.457 -3.225 -16.606 1.00 0.00 H new ATOM 0 HG1 THR A 16 4.478 -4.177 -17.325 1.00 0.00 H new ATOM 0 HG21 THR A 16 4.229 -1.810 -17.576 1.00 0.00 H new ATOM 0 HG22 THR A 16 3.327 -0.953 -16.303 1.00 0.00 H new ATOM 0 HG23 THR A 16 4.946 -1.607 -15.959 1.00 0.00 H new ATOM 158 N GLU A 17 1.519 -4.857 -15.071 1.00 0.00 N ATOM 159 CA GLU A 17 0.292 -5.635 -14.935 1.00 0.00 C ATOM 160 C GLU A 17 0.420 -6.676 -13.827 1.00 0.00 C ATOM 161 O GLU A 17 -0.578 -7.119 -13.262 1.00 0.00 O ATOM 162 CB GLU A 17 -0.049 -6.324 -16.258 1.00 0.00 C ATOM 163 CG GLU A 17 -1.344 -5.833 -16.884 1.00 0.00 C ATOM 164 CD GLU A 17 -2.248 -6.966 -17.325 1.00 0.00 C ATOM 165 OE1 GLU A 17 -2.131 -8.075 -16.759 1.00 0.00 O ATOM 166 OE2 GLU A 17 -3.074 -6.747 -18.236 1.00 0.00 O ATOM 0 H GLU A 17 2.156 -5.197 -15.792 1.00 0.00 H new ATOM 0 HA GLU A 17 -0.512 -4.948 -14.670 1.00 0.00 H new ATOM 0 HB2 GLU A 17 0.768 -6.165 -16.962 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -0.121 -7.399 -16.090 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -1.875 -5.208 -16.166 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -1.111 -5.204 -17.743 1.00 0.00 H new ATOM 169 N LYS A 18 1.654 -7.065 -13.529 1.00 0.00 N ATOM 170 CA LYS A 18 1.911 -8.058 -12.493 1.00 0.00 C ATOM 171 C LYS A 18 1.717 -7.461 -11.101 1.00 0.00 C ATOM 172 O LYS A 18 1.270 -8.146 -10.182 1.00 0.00 O ATOM 173 CB LYS A 18 3.329 -8.614 -12.632 1.00 0.00 C ATOM 174 CG LYS A 18 3.411 -9.858 -13.503 1.00 0.00 C ATOM 175 CD LYS A 18 3.107 -11.117 -12.706 1.00 0.00 C ATOM 176 CE LYS A 18 4.287 -12.076 -12.706 1.00 0.00 C ATOM 177 NZ LYS A 18 3.858 -13.487 -12.910 1.00 0.00 N ATOM 0 H LYS A 18 2.491 -6.708 -13.989 1.00 0.00 H new ATOM 0 HA LYS A 18 1.196 -8.871 -12.619 1.00 0.00 H new ATOM 0 HB2 LYS A 18 3.973 -7.842 -13.053 1.00 0.00 H new ATOM 0 HB3 LYS A 18 3.718 -8.848 -11.641 1.00 0.00 H new ATOM 0 HG2 LYS A 18 2.707 -9.771 -14.331 1.00 0.00 H new ATOM 0 HG3 LYS A 18 4.407 -9.933 -13.939 1.00 0.00 H new ATOM 0 HD2 LYS A 18 2.856 -10.848 -11.680 1.00 0.00 H new ATOM 0 HD3 LYS A 18 2.233 -11.614 -13.128 1.00 0.00 H new ATOM 0 HE2 LYS A 18 4.985 -11.792 -13.493 1.00 0.00 H new ATOM 0 HE3 LYS A 18 4.822 -11.993 -11.760 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 4.692 -14.108 -12.903 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 3.212 -13.767 -12.145 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 3.370 -13.573 -13.824 1.00 0.00 H new ATOM 183 N GLY A 19 2.056 -6.184 -10.955 1.00 0.00 N ATOM 184 CA GLY A 19 1.913 -5.520 -9.672 1.00 0.00 C ATOM 185 C GLY A 19 0.559 -4.862 -9.499 1.00 0.00 C ATOM 186 O GLY A 19 -0.397 -5.196 -10.198 1.00 0.00 O ATOM 0 H GLY A 19 2.427 -5.597 -11.702 1.00 0.00 H new ATOM 0 HA2 GLY A 19 2.064 -6.246 -8.873 1.00 0.00 H new ATOM 0 HA3 GLY A 19 2.694 -4.767 -9.569 1.00 0.00 H new ATOM 190 N ILE A 20 0.482 -3.923 -8.561 1.00 0.00 N ATOM 191 CA ILE A 20 -0.759 -3.207 -8.289 1.00 0.00 C ATOM 192 C ILE A 20 -1.111 -2.269 -9.441 1.00 0.00 C ATOM 193 O ILE A 20 -0.434 -2.255 -10.468 1.00 0.00 O ATOM 194 CB ILE A 20 -0.663 -2.389 -6.984 1.00 0.00 C ATOM 195 CG1 ILE A 20 0.380 -1.279 -7.125 1.00 0.00 C ATOM 196 CG2 ILE A 20 -0.319 -3.291 -5.807 1.00 0.00 C ATOM 197 CD1 ILE A 20 -0.160 0.094 -6.795 1.00 0.00 C ATOM 0 H ILE A 20 1.267 -3.640 -7.975 1.00 0.00 H new ATOM 0 HA ILE A 20 -1.542 -3.957 -8.180 1.00 0.00 H new ATOM 0 HB ILE A 20 -1.635 -1.933 -6.795 1.00 0.00 H new ATOM 0 HG12 ILE A 20 1.224 -1.497 -6.470 1.00 0.00 H new ATOM 0 HG13 ILE A 20 0.762 -1.276 -8.146 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -0.256 -2.694 -4.897 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -1.094 -4.049 -5.691 1.00 0.00 H new ATOM 0 HG23 ILE A 20 0.640 -3.777 -5.989 1.00 0.00 H new ATOM 0 HD11 ILE A 20 0.631 0.835 -6.915 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -0.985 0.332 -7.467 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -0.516 0.107 -5.765 1.00 0.00 H new ATOM 207 N LYS A 21 -2.173 -1.488 -9.264 1.00 0.00 N ATOM 208 CA LYS A 21 -2.609 -0.548 -10.289 1.00 0.00 C ATOM 209 C LYS A 21 -2.089 0.857 -9.998 1.00 0.00 C ATOM 210 O LYS A 21 -2.838 1.728 -9.552 1.00 0.00 O ATOM 211 CB LYS A 21 -4.134 -0.536 -10.386 1.00 0.00 C ATOM 212 CG LYS A 21 -4.726 -1.878 -10.784 1.00 0.00 C ATOM 213 CD LYS A 21 -6.015 -1.708 -11.568 1.00 0.00 C ATOM 214 CE LYS A 21 -6.343 -2.950 -12.381 1.00 0.00 C ATOM 215 NZ LYS A 21 -5.191 -3.389 -13.215 1.00 0.00 N ATOM 0 H LYS A 21 -2.746 -1.488 -8.420 1.00 0.00 H new ATOM 0 HA LYS A 21 -2.197 -0.874 -11.244 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -4.549 -0.236 -9.424 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -4.438 0.217 -11.113 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -4.004 -2.431 -11.385 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -4.918 -2.471 -9.890 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -6.834 -1.495 -10.881 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -5.926 -0.850 -12.234 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -6.633 -3.758 -11.709 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -7.200 -2.747 -13.024 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -5.530 -4.014 -13.974 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -4.727 -2.557 -13.632 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -4.509 -3.904 -12.622 1.00 0.00 H new ATOM 221 N GLU A 22 -0.799 1.067 -10.251 1.00 0.00 N ATOM 222 CA GLU A 22 -0.167 2.358 -10.019 1.00 0.00 C ATOM 223 C GLU A 22 -0.903 3.472 -10.753 1.00 0.00 C ATOM 224 O GLU A 22 -0.793 3.609 -11.971 1.00 0.00 O ATOM 225 CB GLU A 22 1.296 2.319 -10.465 1.00 0.00 C ATOM 226 CG GLU A 22 2.073 1.142 -9.898 1.00 0.00 C ATOM 227 CD GLU A 22 2.698 0.282 -10.979 1.00 0.00 C ATOM 228 OE1 GLU A 22 1.947 -0.423 -11.683 1.00 0.00 O ATOM 229 OE2 GLU A 22 3.938 0.317 -11.120 1.00 0.00 O ATOM 0 H GLU A 22 -0.170 0.353 -10.619 1.00 0.00 H new ATOM 0 HA GLU A 22 -0.212 2.566 -8.950 1.00 0.00 H new ATOM 0 HB2 GLU A 22 1.334 2.279 -11.554 1.00 0.00 H new ATOM 0 HB3 GLU A 22 1.784 3.246 -10.163 1.00 0.00 H new ATOM 0 HG2 GLU A 22 2.855 1.513 -9.236 1.00 0.00 H new ATOM 0 HG3 GLU A 22 1.406 0.529 -9.291 1.00 0.00 H new ATOM 232 N LEU A 23 -1.656 4.266 -9.999 1.00 0.00 N ATOM 233 CA LEU A 23 -2.416 5.372 -10.570 1.00 0.00 C ATOM 234 C LEU A 23 -2.135 6.669 -9.822 1.00 0.00 C ATOM 235 O LEU A 23 -2.216 6.718 -8.595 1.00 0.00 O ATOM 236 CB LEU A 23 -3.914 5.068 -10.522 1.00 0.00 C ATOM 237 CG LEU A 23 -4.642 5.159 -11.863 1.00 0.00 C ATOM 238 CD1 LEU A 23 -4.556 3.833 -12.602 1.00 0.00 C ATOM 239 CD2 LEU A 23 -6.094 5.562 -11.653 1.00 0.00 C ATOM 0 H LEU A 23 -1.756 4.164 -8.989 1.00 0.00 H new ATOM 0 HA LEU A 23 -2.105 5.492 -11.608 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -4.052 4.064 -10.120 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -4.386 5.759 -9.823 1.00 0.00 H new ATOM 0 HG LEU A 23 -4.158 5.924 -12.470 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -5.079 3.913 -13.555 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -3.510 3.584 -12.782 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -5.017 3.050 -12.000 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -6.598 5.622 -12.618 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -6.591 4.819 -11.029 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -6.134 6.534 -11.161 1.00 0.00 H new ATOM 249 N ASN A 24 -1.812 7.718 -10.569 1.00 0.00 N ATOM 250 CA ASN A 24 -1.528 9.020 -9.977 1.00 0.00 C ATOM 251 C ASN A 24 -2.787 9.598 -9.341 1.00 0.00 C ATOM 252 O ASN A 24 -3.900 9.316 -9.786 1.00 0.00 O ATOM 253 CB ASN A 24 -0.987 9.982 -11.036 1.00 0.00 C ATOM 254 CG ASN A 24 0.447 9.673 -11.418 1.00 0.00 C ATOM 255 OD1 ASN A 24 0.660 8.513 -12.031 1.00 0.00 O flip ATOM 256 ND2 ASN A 24 1.354 10.466 -11.165 1.00 0.00 N flip ATOM 0 H ASN A 24 -1.740 7.693 -11.586 1.00 0.00 H new ATOM 0 HA ASN A 24 -0.771 8.889 -9.204 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -1.616 9.931 -11.925 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -1.048 11.003 -10.660 1.00 0.00 H new ATOM 0 HD21 ASN A 24 1.145 11.346 -10.693 1.00 0.00 H new ATOM 0 HD22 ASN A 24 2.314 10.243 -11.428 1.00 0.00 H new ATOM 261 N LEU A 25 -2.613 10.400 -8.295 1.00 0.00 N ATOM 262 CA LEU A 25 -3.749 11.001 -7.605 1.00 0.00 C ATOM 263 C LEU A 25 -3.398 12.389 -7.079 1.00 0.00 C ATOM 264 O LEU A 25 -2.241 12.671 -6.763 1.00 0.00 O ATOM 265 CB LEU A 25 -4.201 10.101 -6.453 1.00 0.00 C ATOM 266 CG LEU A 25 -5.713 9.963 -6.280 1.00 0.00 C ATOM 267 CD1 LEU A 25 -6.058 8.574 -5.759 1.00 0.00 C ATOM 268 CD2 LEU A 25 -6.241 11.035 -5.338 1.00 0.00 C ATOM 0 H LEU A 25 -1.702 10.648 -7.909 1.00 0.00 H new ATOM 0 HA LEU A 25 -4.565 11.104 -8.320 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -3.778 9.108 -6.604 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -3.781 10.489 -5.525 1.00 0.00 H new ATOM 0 HG LEU A 25 -6.189 10.097 -7.251 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -7.138 8.488 -5.640 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -5.710 7.823 -6.468 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -5.573 8.416 -4.796 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -7.319 10.922 -5.226 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -5.762 10.932 -4.364 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -6.020 12.021 -5.748 1.00 0.00 H new ATOM 278 N GLU A 26 -4.407 13.251 -6.989 1.00 0.00 N ATOM 279 CA GLU A 26 -4.209 14.611 -6.501 1.00 0.00 C ATOM 280 C GLU A 26 -5.103 14.894 -5.298 1.00 0.00 C ATOM 281 O GLU A 26 -6.267 14.497 -5.269 1.00 0.00 O ATOM 282 CB GLU A 26 -4.503 15.618 -7.614 1.00 0.00 C ATOM 283 CG GLU A 26 -4.162 17.052 -7.244 1.00 0.00 C ATOM 284 CD GLU A 26 -4.654 18.054 -8.271 1.00 0.00 C ATOM 285 OE1 GLU A 26 -5.766 17.860 -8.805 1.00 0.00 O ATOM 286 OE2 GLU A 26 -3.925 19.031 -8.541 1.00 0.00 O ATOM 0 H GLU A 26 -5.369 13.031 -7.248 1.00 0.00 H new ATOM 0 HA GLU A 26 -3.169 14.712 -6.190 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -3.940 15.338 -8.504 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -5.560 15.560 -7.874 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -4.601 17.287 -6.274 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -3.082 17.148 -7.137 1.00 0.00 H new ATOM 289 N LYS A 27 -4.546 15.585 -4.307 1.00 0.00 N ATOM 290 CA LYS A 27 -5.291 15.927 -3.100 1.00 0.00 C ATOM 291 C LYS A 27 -5.891 17.325 -3.215 1.00 0.00 C ATOM 292 O LYS A 27 -7.065 17.483 -3.552 1.00 0.00 O ATOM 293 CB LYS A 27 -4.379 15.847 -1.874 1.00 0.00 C ATOM 294 CG LYS A 27 -5.125 15.576 -0.579 1.00 0.00 C ATOM 295 CD LYS A 27 -5.217 14.087 -0.293 1.00 0.00 C ATOM 296 CE LYS A 27 -4.061 13.618 0.575 1.00 0.00 C ATOM 297 NZ LYS A 27 -4.154 12.164 0.881 1.00 0.00 N ATOM 0 H LYS A 27 -3.582 15.919 -4.316 1.00 0.00 H new ATOM 0 HA LYS A 27 -6.104 15.210 -2.985 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -3.642 15.060 -2.031 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -3.830 16.784 -1.778 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -4.618 16.076 0.246 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -6.128 15.999 -0.640 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -6.161 13.868 0.206 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -5.217 13.534 -1.232 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -3.119 13.823 0.067 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -4.052 14.185 1.506 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -3.377 11.893 1.516 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -5.064 11.964 1.343 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -4.086 11.618 -0.002 1.00 0.00 H new ATOM 303 N ASP A 28 -5.074 18.337 -2.938 1.00 0.00 N ATOM 304 CA ASP A 28 -5.517 19.724 -3.013 1.00 0.00 C ATOM 305 C ASP A 28 -4.681 20.495 -4.028 1.00 0.00 C ATOM 306 O ASP A 28 -5.198 20.979 -5.035 1.00 0.00 O ATOM 307 CB ASP A 28 -5.419 20.391 -1.640 1.00 0.00 C ATOM 308 CG ASP A 28 -6.269 19.693 -0.596 1.00 0.00 C ATOM 309 OD1 ASP A 28 -7.511 19.717 -0.728 1.00 0.00 O ATOM 310 OD2 ASP A 28 -5.693 19.122 0.355 1.00 0.00 O ATOM 0 H ASP A 28 -4.100 18.221 -2.659 1.00 0.00 H new ATOM 0 HA ASP A 28 -6.558 19.735 -3.335 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -4.379 20.395 -1.314 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -5.731 21.432 -1.722 1.00 0.00 H new ATOM 313 N LYS A 29 -3.384 20.599 -3.757 1.00 0.00 N ATOM 314 CA LYS A 29 -2.469 21.304 -4.645 1.00 0.00 C ATOM 315 C LYS A 29 -1.240 20.451 -4.948 1.00 0.00 C ATOM 316 O LYS A 29 -0.273 20.928 -5.542 1.00 0.00 O ATOM 317 CB LYS A 29 -2.040 22.634 -4.021 1.00 0.00 C ATOM 318 CG LYS A 29 -1.883 23.759 -5.031 1.00 0.00 C ATOM 319 CD LYS A 29 -0.428 24.173 -5.182 1.00 0.00 C ATOM 320 CE LYS A 29 -0.201 24.951 -6.467 1.00 0.00 C ATOM 321 NZ LYS A 29 -0.070 26.413 -6.218 1.00 0.00 N ATOM 0 H LYS A 29 -2.943 20.203 -2.927 1.00 0.00 H new ATOM 0 HA LYS A 29 -2.992 21.503 -5.581 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -2.776 22.929 -3.273 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -1.094 22.492 -3.498 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -2.274 23.439 -5.997 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -2.476 24.618 -4.716 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -0.132 24.783 -4.329 1.00 0.00 H new ATOM 0 HD3 LYS A 29 0.206 23.287 -5.175 1.00 0.00 H new ATOM 0 HE2 LYS A 29 0.700 24.585 -6.958 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -1.031 24.773 -7.150 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 0.084 26.906 -7.120 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -0.940 26.769 -5.773 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 0.738 26.587 -5.587 1.00 0.00 H new ATOM 327 N LYS A 30 -1.287 19.187 -4.536 1.00 0.00 N ATOM 328 CA LYS A 30 -0.177 18.265 -4.761 1.00 0.00 C ATOM 329 C LYS A 30 -0.639 17.029 -5.526 1.00 0.00 C ATOM 330 O LYS A 30 -1.758 16.552 -5.336 1.00 0.00 O ATOM 331 CB LYS A 30 0.449 17.849 -3.427 1.00 0.00 C ATOM 332 CG LYS A 30 1.018 19.010 -2.628 1.00 0.00 C ATOM 333 CD LYS A 30 1.566 18.547 -1.287 1.00 0.00 C ATOM 334 CE LYS A 30 1.782 19.715 -0.336 1.00 0.00 C ATOM 335 NZ LYS A 30 2.637 20.773 -0.940 1.00 0.00 N ATOM 0 H LYS A 30 -2.082 18.778 -4.045 1.00 0.00 H new ATOM 0 HA LYS A 30 0.572 18.781 -5.361 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -0.305 17.341 -2.825 1.00 0.00 H new ATOM 0 HB3 LYS A 30 1.244 17.128 -3.618 1.00 0.00 H new ATOM 0 HG2 LYS A 30 1.811 19.493 -3.199 1.00 0.00 H new ATOM 0 HG3 LYS A 30 0.241 19.757 -2.467 1.00 0.00 H new ATOM 0 HD2 LYS A 30 0.875 17.834 -0.837 1.00 0.00 H new ATOM 0 HD3 LYS A 30 2.509 18.023 -1.440 1.00 0.00 H new ATOM 0 HE2 LYS A 30 0.818 20.141 -0.060 1.00 0.00 H new ATOM 0 HE3 LYS A 30 2.245 19.354 0.582 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 2.914 21.457 -0.207 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 3.490 20.339 -1.348 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 2.106 21.263 -1.688 1.00 0.00 H new ATOM 341 N ILE A 31 0.233 16.512 -6.388 1.00 0.00 N ATOM 342 CA ILE A 31 -0.076 15.329 -7.182 1.00 0.00 C ATOM 343 C ILE A 31 0.898 14.199 -6.871 1.00 0.00 C ATOM 344 O ILE A 31 1.995 14.140 -7.429 1.00 0.00 O ATOM 345 CB ILE A 31 -0.026 15.639 -8.687 1.00 0.00 C ATOM 346 CG1 ILE A 31 -0.875 16.870 -8.996 1.00 0.00 C ATOM 347 CG2 ILE A 31 -0.504 14.441 -9.495 1.00 0.00 C ATOM 348 CD1 ILE A 31 -0.246 17.790 -10.015 1.00 0.00 C ATOM 0 H ILE A 31 1.163 16.897 -6.554 1.00 0.00 H new ATOM 0 HA ILE A 31 -1.087 15.018 -6.919 1.00 0.00 H new ATOM 0 HB ILE A 31 1.006 15.848 -8.968 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -1.850 16.548 -9.361 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -1.047 17.425 -8.074 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -0.462 14.679 -10.558 1.00 0.00 H new ATOM 0 HG22 ILE A 31 0.137 13.584 -9.289 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -1.530 14.201 -9.217 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -0.901 18.644 -10.188 1.00 0.00 H new ATOM 0 HD12 ILE A 31 0.717 18.141 -9.643 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -0.099 17.250 -10.951 1.00 0.00 H new ATOM 358 N PHE A 32 0.493 13.306 -5.976 1.00 0.00 N ATOM 359 CA PHE A 32 1.334 12.179 -5.585 1.00 0.00 C ATOM 360 C PHE A 32 1.428 11.150 -6.709 1.00 0.00 C ATOM 361 O PHE A 32 0.557 11.086 -7.580 1.00 0.00 O ATOM 362 CB PHE A 32 0.792 11.524 -4.315 1.00 0.00 C ATOM 363 CG PHE A 32 0.303 12.513 -3.299 1.00 0.00 C ATOM 364 CD1 PHE A 32 1.135 13.523 -2.847 1.00 0.00 C ATOM 365 CD2 PHE A 32 -0.987 12.438 -2.803 1.00 0.00 C ATOM 366 CE1 PHE A 32 0.692 14.439 -1.919 1.00 0.00 C ATOM 367 CE2 PHE A 32 -1.439 13.353 -1.872 1.00 0.00 C ATOM 368 CZ PHE A 32 -0.598 14.357 -1.429 1.00 0.00 C ATOM 0 H PHE A 32 -0.412 13.340 -5.507 1.00 0.00 H new ATOM 0 HA PHE A 32 2.336 12.560 -5.386 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -0.025 10.853 -4.581 1.00 0.00 H new ATOM 0 HB3 PHE A 32 1.575 10.912 -3.868 1.00 0.00 H new ATOM 0 HD1 PHE A 32 2.144 13.593 -3.227 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -1.647 11.656 -3.148 1.00 0.00 H new ATOM 0 HE1 PHE A 32 1.352 15.221 -1.574 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -2.447 13.284 -1.491 1.00 0.00 H new ATOM 0 HZ PHE A 32 -0.948 15.075 -0.702 1.00 0.00 H new ATOM 376 N ASN A 33 2.496 10.353 -6.688 1.00 0.00 N ATOM 377 CA ASN A 33 2.713 9.331 -7.711 1.00 0.00 C ATOM 378 C ASN A 33 2.292 7.946 -7.223 1.00 0.00 C ATOM 379 O ASN A 33 2.631 7.531 -6.111 1.00 0.00 O ATOM 380 CB ASN A 33 4.184 9.309 -8.129 1.00 0.00 C ATOM 381 CG ASN A 33 4.690 10.676 -8.541 1.00 0.00 C ATOM 382 OD1 ASN A 33 4.414 11.060 -9.783 1.00 0.00 O flip ATOM 383 ND2 ASN A 33 5.323 11.381 -7.755 1.00 0.00 N flip ATOM 0 H ASN A 33 3.224 10.395 -5.974 1.00 0.00 H new ATOM 0 HA ASN A 33 2.093 9.587 -8.570 1.00 0.00 H new ATOM 0 HB2 ASN A 33 4.788 8.936 -7.302 1.00 0.00 H new ATOM 0 HB3 ASN A 33 4.313 8.613 -8.958 1.00 0.00 H new ATOM 0 HD21 ASN A 33 5.513 11.047 -6.810 1.00 0.00 H new ATOM 0 HD22 ASN A 33 5.657 12.299 -8.049 1.00 0.00 H new ATOM 388 N HIS A 34 1.556 7.233 -8.076 1.00 0.00 N ATOM 389 CA HIS A 34 1.084 5.888 -7.758 1.00 0.00 C ATOM 390 C HIS A 34 0.379 5.857 -6.407 1.00 0.00 C ATOM 391 O HIS A 34 0.813 5.167 -5.489 1.00 0.00 O ATOM 392 CB HIS A 34 2.252 4.895 -7.758 1.00 0.00 C ATOM 393 CG HIS A 34 3.282 5.172 -8.810 1.00 0.00 C ATOM 394 ND1 HIS A 34 3.010 5.133 -10.161 1.00 0.00 N ATOM 395 CD2 HIS A 34 4.592 5.493 -8.701 1.00 0.00 C ATOM 396 CE1 HIS A 34 4.109 5.418 -10.838 1.00 0.00 C ATOM 397 NE2 HIS A 34 5.082 5.641 -9.975 1.00 0.00 N ATOM 0 H HIS A 34 1.273 7.568 -8.997 1.00 0.00 H new ATOM 0 HA HIS A 34 0.368 5.597 -8.527 1.00 0.00 H new ATOM 0 HB2 HIS A 34 2.732 4.913 -6.779 1.00 0.00 H new ATOM 0 HB3 HIS A 34 1.860 3.888 -7.902 1.00 0.00 H new ATOM 0 HD2 HIS A 34 5.148 5.611 -7.783 1.00 0.00 H new ATOM 0 HE1 HIS A 34 4.196 5.461 -11.914 1.00 0.00 H new ATOM 0 HE2 HIS A 34 6.043 5.884 -10.216 1.00 0.00 H new ATOM 404 N CYS A 35 -0.711 6.609 -6.295 1.00 0.00 N ATOM 405 CA CYS A 35 -1.479 6.667 -5.056 1.00 0.00 C ATOM 406 C CYS A 35 -2.662 5.711 -5.108 1.00 0.00 C ATOM 407 O CYS A 35 -3.452 5.736 -6.052 1.00 0.00 O ATOM 408 CB CYS A 35 -1.961 8.092 -4.807 1.00 0.00 C ATOM 409 SG CYS A 35 -1.129 9.323 -5.833 1.00 0.00 S ATOM 0 H CYS A 35 -1.083 7.188 -7.048 1.00 0.00 H new ATOM 0 HA CYS A 35 -0.832 6.363 -4.234 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -3.034 8.142 -4.992 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -1.807 8.341 -3.757 1.00 0.00 H new ATOM 0 HG CYS A 35 -1.598 10.504 -5.560 1.00 0.00 H new ATOM 413 N PHE A 36 -2.770 4.860 -4.096 1.00 0.00 N ATOM 414 CA PHE A 36 -3.847 3.882 -4.035 1.00 0.00 C ATOM 415 C PHE A 36 -4.378 3.728 -2.612 1.00 0.00 C ATOM 416 O PHE A 36 -3.994 4.473 -1.712 1.00 0.00 O ATOM 417 CB PHE A 36 -3.355 2.529 -4.561 1.00 0.00 C ATOM 418 CG PHE A 36 -1.956 2.173 -4.129 1.00 0.00 C ATOM 419 CD1 PHE A 36 -0.852 2.776 -4.718 1.00 0.00 C ATOM 420 CD2 PHE A 36 -1.741 1.225 -3.140 1.00 0.00 C ATOM 421 CE1 PHE A 36 0.431 2.442 -4.328 1.00 0.00 C ATOM 422 CE2 PHE A 36 -0.459 0.887 -2.751 1.00 0.00 C ATOM 423 CZ PHE A 36 0.626 1.495 -3.346 1.00 0.00 C ATOM 0 H PHE A 36 -2.125 4.828 -3.307 1.00 0.00 H new ATOM 0 HA PHE A 36 -4.664 4.239 -4.662 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -4.038 1.750 -4.222 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -3.396 2.538 -5.650 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -0.998 3.516 -5.491 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -2.586 0.745 -2.668 1.00 0.00 H new ATOM 0 HE1 PHE A 36 1.280 2.922 -4.792 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -0.307 0.146 -1.980 1.00 0.00 H new ATOM 0 HZ PHE A 36 1.628 1.229 -3.043 1.00 0.00 H new ATOM 431 N THR A 37 -5.261 2.751 -2.420 1.00 0.00 N ATOM 432 CA THR A 37 -5.845 2.490 -1.110 1.00 0.00 C ATOM 433 C THR A 37 -5.117 1.348 -0.408 1.00 0.00 C ATOM 434 O THR A 37 -4.462 0.528 -1.053 1.00 0.00 O ATOM 435 CB THR A 37 -7.341 2.143 -1.221 1.00 0.00 C ATOM 436 OG1 THR A 37 -7.534 1.107 -2.192 1.00 0.00 O ATOM 437 CG2 THR A 37 -8.153 3.369 -1.614 1.00 0.00 C ATOM 0 H THR A 37 -5.587 2.127 -3.158 1.00 0.00 H new ATOM 0 HA THR A 37 -5.737 3.403 -0.524 1.00 0.00 H new ATOM 0 HB THR A 37 -7.683 1.796 -0.246 1.00 0.00 H new ATOM 0 HG1 THR A 37 -8.488 0.891 -2.255 1.00 0.00 H new ATOM 0 HG21 THR A 37 -9.207 3.100 -1.686 1.00 0.00 H new ATOM 0 HG22 THR A 37 -8.028 4.145 -0.859 1.00 0.00 H new ATOM 0 HG23 THR A 37 -7.807 3.741 -2.578 1.00 0.00 H new ATOM 445 N GLY A 38 -5.231 1.304 0.917 1.00 0.00 N ATOM 446 CA GLY A 38 -4.576 0.261 1.685 1.00 0.00 C ATOM 447 C GLY A 38 -5.154 -1.117 1.418 1.00 0.00 C ATOM 448 O GLY A 38 -4.413 -2.080 1.222 1.00 0.00 O ATOM 0 H GLY A 38 -5.766 1.973 1.472 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -3.512 0.256 1.448 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -4.665 0.488 2.747 1.00 0.00 H new ATOM 452 N ASN A 39 -6.482 -1.210 1.417 1.00 0.00 N ATOM 453 CA ASN A 39 -7.162 -2.480 1.180 1.00 0.00 C ATOM 454 C ASN A 39 -6.806 -3.056 -0.188 1.00 0.00 C ATOM 455 O ASN A 39 -6.991 -4.248 -0.436 1.00 0.00 O ATOM 456 CB ASN A 39 -8.677 -2.296 1.285 1.00 0.00 C ATOM 457 CG ASN A 39 -9.425 -3.613 1.216 1.00 0.00 C ATOM 458 OD1 ASN A 39 -9.243 -4.490 2.060 1.00 0.00 O ATOM 459 ND2 ASN A 39 -10.274 -3.761 0.204 1.00 0.00 N ATOM 0 H ASN A 39 -7.108 -0.421 1.578 1.00 0.00 H new ATOM 0 HA ASN A 39 -6.828 -3.183 1.943 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -8.915 -1.795 2.223 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -9.018 -1.645 0.480 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -10.804 -4.627 0.106 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -10.395 -3.009 -0.474 1.00 0.00 H new ATOM 464 N CYS A 40 -6.296 -2.206 -1.075 1.00 0.00 N ATOM 465 CA CYS A 40 -5.918 -2.637 -2.416 1.00 0.00 C ATOM 466 C CYS A 40 -4.727 -3.588 -2.373 1.00 0.00 C ATOM 467 O CYS A 40 -4.743 -4.645 -3.004 1.00 0.00 O ATOM 468 CB CYS A 40 -5.588 -1.425 -3.292 1.00 0.00 C ATOM 469 SG CYS A 40 -5.346 -1.824 -5.039 1.00 0.00 S ATOM 0 H CYS A 40 -6.135 -1.216 -0.889 1.00 0.00 H new ATOM 0 HA CYS A 40 -6.766 -3.169 -2.848 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -6.394 -0.696 -3.205 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -4.685 -0.949 -2.910 1.00 0.00 H new ATOM 0 HG CYS A 40 -5.074 -0.737 -5.699 1.00 0.00 H new ATOM 473 N VAL A 41 -3.694 -3.206 -1.627 1.00 0.00 N ATOM 474 CA VAL A 41 -2.493 -4.026 -1.504 1.00 0.00 C ATOM 475 C VAL A 41 -2.817 -5.392 -0.910 1.00 0.00 C ATOM 476 O VAL A 41 -2.192 -6.393 -1.258 1.00 0.00 O ATOM 477 CB VAL A 41 -1.428 -3.336 -0.631 1.00 0.00 C ATOM 478 CG1 VAL A 41 -0.172 -4.190 -0.534 1.00 0.00 C ATOM 479 CG2 VAL A 41 -1.100 -1.963 -1.185 1.00 0.00 C ATOM 0 H VAL A 41 -3.665 -2.334 -1.099 1.00 0.00 H new ATOM 0 HA VAL A 41 -2.096 -4.157 -2.511 1.00 0.00 H new ATOM 0 HB VAL A 41 -1.833 -3.216 0.374 1.00 0.00 H new ATOM 0 HG11 VAL A 41 0.566 -3.683 0.087 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -0.421 -5.153 -0.089 1.00 0.00 H new ATOM 0 HG13 VAL A 41 0.239 -4.347 -1.531 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -0.346 -1.488 -0.557 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -0.717 -2.062 -2.200 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -2.001 -1.350 -1.196 1.00 0.00 H new ATOM 489 N ILE A 42 -3.796 -5.430 -0.011 1.00 0.00 N ATOM 490 CA ILE A 42 -4.194 -6.679 0.623 1.00 0.00 C ATOM 491 C ILE A 42 -4.862 -7.608 -0.381 1.00 0.00 C ATOM 492 O ILE A 42 -4.609 -8.812 -0.388 1.00 0.00 O ATOM 493 CB ILE A 42 -5.159 -6.443 1.803 1.00 0.00 C ATOM 494 CG1 ILE A 42 -4.777 -5.176 2.576 1.00 0.00 C ATOM 495 CG2 ILE A 42 -5.164 -7.649 2.728 1.00 0.00 C ATOM 496 CD1 ILE A 42 -3.422 -5.252 3.254 1.00 0.00 C ATOM 0 H ILE A 42 -4.325 -4.613 0.293 1.00 0.00 H new ATOM 0 HA ILE A 42 -3.283 -7.140 1.003 1.00 0.00 H new ATOM 0 HB ILE A 42 -6.163 -6.305 1.402 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -4.782 -4.329 1.890 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -5.539 -4.979 3.330 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -5.849 -7.469 3.557 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -5.487 -8.531 2.175 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -4.159 -7.813 3.117 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -3.225 -4.318 3.779 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -3.417 -6.077 3.966 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -2.648 -5.416 2.504 1.00 0.00 H new ATOM 506 N ASP A 43 -5.716 -7.042 -1.230 1.00 0.00 N ATOM 507 CA ASP A 43 -6.420 -7.822 -2.242 1.00 0.00 C ATOM 508 C ASP A 43 -5.453 -8.338 -3.304 1.00 0.00 C ATOM 509 O ASP A 43 -5.594 -9.459 -3.791 1.00 0.00 O ATOM 510 CB ASP A 43 -7.514 -6.978 -2.896 1.00 0.00 C ATOM 511 CG ASP A 43 -8.516 -7.821 -3.661 1.00 0.00 C ATOM 512 OD1 ASP A 43 -9.269 -8.579 -3.015 1.00 0.00 O ATOM 513 OD2 ASP A 43 -8.548 -7.722 -4.906 1.00 0.00 O ATOM 0 H ASP A 43 -5.937 -6.046 -1.237 1.00 0.00 H new ATOM 0 HA ASP A 43 -6.879 -8.679 -1.750 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -8.036 -6.406 -2.128 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -7.057 -6.258 -3.574 1.00 0.00 H new ATOM 516 N TRP A 44 -4.469 -7.514 -3.653 1.00 0.00 N ATOM 517 CA TRP A 44 -3.477 -7.892 -4.653 1.00 0.00 C ATOM 518 C TRP A 44 -2.566 -8.990 -4.116 1.00 0.00 C ATOM 519 O TRP A 44 -2.389 -10.029 -4.750 1.00 0.00 O ATOM 520 CB TRP A 44 -2.643 -6.675 -5.064 1.00 0.00 C ATOM 521 CG TRP A 44 -1.573 -6.998 -6.064 1.00 0.00 C ATOM 522 CD1 TRP A 44 -1.716 -7.083 -7.419 1.00 0.00 C ATOM 523 CD2 TRP A 44 -0.196 -7.279 -5.788 1.00 0.00 C ATOM 524 NE1 TRP A 44 -0.516 -7.401 -8.000 1.00 0.00 N ATOM 525 CE2 TRP A 44 0.434 -7.527 -7.022 1.00 0.00 C ATOM 526 CE3 TRP A 44 0.566 -7.347 -4.618 1.00 0.00 C ATOM 527 CZ2 TRP A 44 1.788 -7.835 -7.118 1.00 0.00 C ATOM 528 CZ3 TRP A 44 1.911 -7.653 -4.715 1.00 0.00 C ATOM 529 CH2 TRP A 44 2.509 -7.893 -5.958 1.00 0.00 C ATOM 0 H TRP A 44 -4.338 -6.582 -3.259 1.00 0.00 H new ATOM 0 HA TRP A 44 -4.003 -8.272 -5.529 1.00 0.00 H new ATOM 0 HB2 TRP A 44 -3.303 -5.915 -5.482 1.00 0.00 H new ATOM 0 HB3 TRP A 44 -2.182 -6.243 -4.176 1.00 0.00 H new ATOM 0 HD1 TRP A 44 -2.640 -6.923 -7.955 1.00 0.00 H new ATOM 0 HE1 TRP A 44 -0.356 -7.524 -9.000 1.00 0.00 H new ATOM 0 HE3 TRP A 44 0.112 -7.164 -3.655 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 2.253 -8.022 -8.075 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 2.510 -7.708 -3.818 1.00 0.00 H new ATOM 0 HH2 TRP A 44 3.562 -8.129 -6.001 1.00 0.00 H new ATOM 538 N LEU A 45 -1.998 -8.749 -2.938 1.00 0.00 N ATOM 539 CA LEU A 45 -1.111 -9.715 -2.302 1.00 0.00 C ATOM 540 C LEU A 45 -1.827 -11.046 -2.105 1.00 0.00 C ATOM 541 O LEU A 45 -1.251 -12.115 -2.314 1.00 0.00 O ATOM 542 CB LEU A 45 -0.626 -9.179 -0.955 1.00 0.00 C ATOM 543 CG LEU A 45 0.867 -8.866 -0.882 1.00 0.00 C ATOM 544 CD1 LEU A 45 1.127 -7.414 -1.245 1.00 0.00 C ATOM 545 CD2 LEU A 45 1.406 -9.172 0.505 1.00 0.00 C ATOM 0 H LEU A 45 -2.137 -7.891 -2.404 1.00 0.00 H new ATOM 0 HA LEU A 45 -0.250 -9.874 -2.951 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -1.183 -8.272 -0.720 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -0.866 -9.910 -0.183 1.00 0.00 H new ATOM 0 HG LEU A 45 1.386 -9.498 -1.602 1.00 0.00 H new ATOM 0 HD11 LEU A 45 2.196 -7.210 -1.187 1.00 0.00 H new ATOM 0 HD12 LEU A 45 0.776 -7.224 -2.259 1.00 0.00 H new ATOM 0 HD13 LEU A 45 0.596 -6.764 -0.549 1.00 0.00 H new ATOM 0 HD21 LEU A 45 2.471 -8.943 0.540 1.00 0.00 H new ATOM 0 HD22 LEU A 45 0.880 -8.565 1.242 1.00 0.00 H new ATOM 0 HD23 LEU A 45 1.254 -10.228 0.730 1.00 0.00 H new ATOM 555 N VAL A 46 -3.092 -10.966 -1.701 1.00 0.00 N ATOM 556 CA VAL A 46 -3.908 -12.153 -1.474 1.00 0.00 C ATOM 557 C VAL A 46 -4.223 -12.851 -2.794 1.00 0.00 C ATOM 558 O VAL A 46 -4.314 -14.078 -2.853 1.00 0.00 O ATOM 559 CB VAL A 46 -5.218 -11.783 -0.738 1.00 0.00 C ATOM 560 CG1 VAL A 46 -6.307 -12.821 -0.966 1.00 0.00 C ATOM 561 CG2 VAL A 46 -4.956 -11.604 0.749 1.00 0.00 C ATOM 0 H VAL A 46 -3.576 -10.086 -1.524 1.00 0.00 H new ATOM 0 HA VAL A 46 -3.340 -12.839 -0.846 1.00 0.00 H new ATOM 0 HB VAL A 46 -5.574 -10.840 -1.152 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -7.210 -12.524 -0.433 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -6.523 -12.894 -2.032 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -5.969 -13.790 -0.597 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -5.886 -11.344 1.254 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -4.565 -12.533 1.164 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -4.228 -10.806 0.897 1.00 0.00 H new ATOM 571 N SER A 47 -4.380 -12.062 -3.852 1.00 0.00 N ATOM 572 CA SER A 47 -4.678 -12.602 -5.173 1.00 0.00 C ATOM 573 C SER A 47 -3.497 -13.406 -5.710 1.00 0.00 C ATOM 574 O SER A 47 -3.654 -14.233 -6.608 1.00 0.00 O ATOM 575 CB SER A 47 -5.025 -11.472 -6.143 1.00 0.00 C ATOM 576 OG SER A 47 -4.741 -11.839 -7.481 1.00 0.00 O ATOM 0 H SER A 47 -4.306 -11.045 -3.820 1.00 0.00 H new ATOM 0 HA SER A 47 -5.536 -13.268 -5.082 1.00 0.00 H new ATOM 0 HB2 SER A 47 -6.081 -11.220 -6.049 1.00 0.00 H new ATOM 0 HB3 SER A 47 -4.460 -10.578 -5.881 1.00 0.00 H new ATOM 0 HG SER A 47 -4.974 -11.099 -8.080 1.00 0.00 H new ATOM 580 N ASN A 48 -2.317 -13.158 -5.150 1.00 0.00 N ATOM 581 CA ASN A 48 -1.107 -13.857 -5.570 1.00 0.00 C ATOM 582 C ASN A 48 -0.830 -15.056 -4.668 1.00 0.00 C ATOM 583 O ASN A 48 -1.686 -15.466 -3.884 1.00 0.00 O ATOM 584 CB ASN A 48 0.089 -12.902 -5.554 1.00 0.00 C ATOM 585 CG ASN A 48 0.510 -12.479 -6.948 1.00 0.00 C ATOM 586 OD1 ASN A 48 0.316 -13.212 -7.917 1.00 0.00 O ATOM 587 ND2 ASN A 48 1.091 -11.290 -7.055 1.00 0.00 N ATOM 0 H ASN A 48 -2.173 -12.478 -4.404 1.00 0.00 H new ATOM 0 HA ASN A 48 -1.260 -14.219 -6.587 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -0.164 -12.017 -4.970 1.00 0.00 H new ATOM 0 HB3 ASN A 48 0.929 -13.385 -5.054 1.00 0.00 H new ATOM 0 HD21 ASN A 48 1.396 -10.952 -7.968 1.00 0.00 H new ATOM 0 HD22 ASN A 48 1.232 -10.715 -6.225 1.00 0.00 H new ATOM 592 N GLN A 49 0.372 -15.615 -4.787 1.00 0.00 N ATOM 593 CA GLN A 49 0.760 -16.768 -3.983 1.00 0.00 C ATOM 594 C GLN A 49 1.427 -16.327 -2.683 1.00 0.00 C ATOM 595 O GLN A 49 1.814 -17.160 -1.862 1.00 0.00 O ATOM 596 CB GLN A 49 1.705 -17.676 -4.771 1.00 0.00 C ATOM 597 CG GLN A 49 1.249 -19.126 -4.818 1.00 0.00 C ATOM 598 CD GLN A 49 2.362 -20.079 -5.210 1.00 0.00 C ATOM 599 OE1 GLN A 49 3.211 -19.753 -6.038 1.00 0.00 O ATOM 600 NE2 GLN A 49 2.358 -21.266 -4.614 1.00 0.00 N ATOM 0 H GLN A 49 1.092 -15.288 -5.431 1.00 0.00 H new ATOM 0 HA GLN A 49 -0.144 -17.325 -3.737 1.00 0.00 H new ATOM 0 HB2 GLN A 49 1.795 -17.298 -5.789 1.00 0.00 H new ATOM 0 HB3 GLN A 49 2.698 -17.629 -4.325 1.00 0.00 H new ATOM 0 HG2 GLN A 49 0.859 -19.412 -3.841 1.00 0.00 H new ATOM 0 HG3 GLN A 49 0.428 -19.221 -5.529 1.00 0.00 H new ATOM 0 HE21 GLN A 49 1.633 -21.492 -3.933 1.00 0.00 H new ATOM 0 HE22 GLN A 49 3.080 -21.951 -4.837 1.00 0.00 H new ATOM 605 N SER A 50 1.552 -15.016 -2.501 1.00 0.00 N ATOM 606 CA SER A 50 2.167 -14.466 -1.298 1.00 0.00 C ATOM 607 C SER A 50 1.332 -14.807 -0.068 1.00 0.00 C ATOM 608 O SER A 50 1.838 -15.372 0.902 1.00 0.00 O ATOM 609 CB SER A 50 2.318 -12.950 -1.425 1.00 0.00 C ATOM 610 OG SER A 50 2.376 -12.334 -0.150 1.00 0.00 O ATOM 0 H SER A 50 1.236 -14.315 -3.171 1.00 0.00 H new ATOM 0 HA SER A 50 3.156 -14.910 -1.183 1.00 0.00 H new ATOM 0 HB2 SER A 50 3.223 -12.717 -1.986 1.00 0.00 H new ATOM 0 HB3 SER A 50 1.479 -12.544 -1.991 1.00 0.00 H new ATOM 0 HG SER A 50 2.783 -11.447 -0.234 1.00 0.00 H new ATOM 614 N VAL A 51 0.049 -14.464 -0.123 1.00 0.00 N ATOM 615 CA VAL A 51 -0.868 -14.735 0.978 1.00 0.00 C ATOM 616 C VAL A 51 -2.191 -15.280 0.457 1.00 0.00 C ATOM 617 O VAL A 51 -2.437 -15.293 -0.749 1.00 0.00 O ATOM 618 CB VAL A 51 -1.154 -13.469 1.810 1.00 0.00 C ATOM 619 CG1 VAL A 51 0.023 -13.137 2.714 1.00 0.00 C ATOM 620 CG2 VAL A 51 -1.479 -12.294 0.901 1.00 0.00 C ATOM 0 H VAL A 51 -0.380 -13.996 -0.921 1.00 0.00 H new ATOM 0 HA VAL A 51 -0.383 -15.475 1.614 1.00 0.00 H new ATOM 0 HB VAL A 51 -2.021 -13.666 2.441 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -0.203 -12.240 3.291 1.00 0.00 H new ATOM 0 HG12 VAL A 51 0.206 -13.969 3.394 1.00 0.00 H new ATOM 0 HG13 VAL A 51 0.911 -12.963 2.106 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -1.678 -11.410 1.506 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -0.633 -12.099 0.241 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -2.359 -12.529 0.303 1.00 0.00 H new ATOM 630 N ARG A 52 -3.041 -15.722 1.375 1.00 0.00 N ATOM 631 CA ARG A 52 -4.346 -16.260 1.015 1.00 0.00 C ATOM 632 C ARG A 52 -5.451 -15.474 1.705 1.00 0.00 C ATOM 633 O ARG A 52 -6.356 -14.953 1.056 1.00 0.00 O ATOM 634 CB ARG A 52 -4.440 -17.739 1.394 1.00 0.00 C ATOM 635 CG ARG A 52 -4.149 -18.681 0.237 1.00 0.00 C ATOM 636 CD ARG A 52 -2.700 -19.137 0.244 1.00 0.00 C ATOM 637 NE ARG A 52 -2.392 -19.960 1.410 1.00 0.00 N ATOM 638 CZ ARG A 52 -1.717 -21.104 1.349 1.00 0.00 C ATOM 639 NH1 ARG A 52 -1.283 -21.562 0.182 1.00 0.00 N ATOM 640 NH2 ARG A 52 -1.473 -21.791 2.457 1.00 0.00 N ATOM 0 H ARG A 52 -2.849 -15.718 2.377 1.00 0.00 H new ATOM 0 HA ARG A 52 -4.469 -16.168 -0.064 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -3.740 -17.944 2.204 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -5.439 -17.945 1.777 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -4.805 -19.549 0.299 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -4.370 -18.181 -0.706 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -2.494 -19.703 -0.664 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -2.045 -18.265 0.232 1.00 0.00 H new ATOM 0 HE ARG A 52 -2.713 -19.639 2.323 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -1.467 -21.036 -0.672 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -0.766 -22.440 0.139 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -1.803 -21.442 3.357 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -0.955 -22.668 2.409 1.00 0.00 H new ATOM 648 N ASN A 53 -5.366 -15.390 3.027 1.00 0.00 N ATOM 649 CA ASN A 53 -6.354 -14.658 3.811 1.00 0.00 C ATOM 650 C ASN A 53 -6.043 -13.166 3.815 1.00 0.00 C ATOM 651 O ASN A 53 -4.901 -12.762 3.598 1.00 0.00 O ATOM 652 CB ASN A 53 -6.397 -15.187 5.246 1.00 0.00 C ATOM 653 CG ASN A 53 -7.739 -15.796 5.600 1.00 0.00 C ATOM 654 OD1 ASN A 53 -8.761 -15.111 5.607 1.00 0.00 O ATOM 655 ND2 ASN A 53 -7.743 -17.091 5.893 1.00 0.00 N ATOM 0 H ASN A 53 -4.623 -15.819 3.579 1.00 0.00 H new ATOM 0 HA ASN A 53 -7.330 -14.808 3.350 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -5.616 -15.936 5.377 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -6.178 -14.373 5.937 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -8.618 -17.556 6.136 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -6.872 -17.621 5.875 1.00 0.00 H new ATOM 660 N ARG A 54 -7.061 -12.352 4.077 1.00 0.00 N ATOM 661 CA ARG A 54 -6.886 -10.905 4.121 1.00 0.00 C ATOM 662 C ARG A 54 -6.001 -10.513 5.301 1.00 0.00 C ATOM 663 O ARG A 54 -5.288 -9.509 5.252 1.00 0.00 O ATOM 664 CB ARG A 54 -8.245 -10.211 4.227 1.00 0.00 C ATOM 665 CG ARG A 54 -8.158 -8.695 4.242 1.00 0.00 C ATOM 666 CD ARG A 54 -9.337 -8.077 4.976 1.00 0.00 C ATOM 667 NE ARG A 54 -9.024 -7.793 6.374 1.00 0.00 N ATOM 668 CZ ARG A 54 -9.946 -7.544 7.301 1.00 0.00 C ATOM 669 NH1 ARG A 54 -11.233 -7.539 6.978 1.00 0.00 N ATOM 670 NH2 ARG A 54 -9.579 -7.301 8.551 1.00 0.00 N ATOM 0 H ARG A 54 -8.013 -12.669 4.261 1.00 0.00 H new ATOM 0 HA ARG A 54 -6.400 -10.585 3.199 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -8.868 -10.522 3.388 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -8.744 -10.546 5.136 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -7.228 -8.388 4.721 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -8.128 -8.321 3.219 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -9.632 -7.154 4.476 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -10.190 -8.754 4.926 1.00 0.00 H new ATOM 0 HE ARG A 54 -8.044 -7.785 6.656 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -11.518 -7.726 6.017 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -11.937 -7.348 7.691 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -8.590 -7.305 8.802 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -10.285 -7.110 9.262 1.00 0.00 H new ATOM 678 N GLN A 55 -6.050 -11.318 6.357 1.00 0.00 N ATOM 679 CA GLN A 55 -5.252 -11.064 7.550 1.00 0.00 C ATOM 680 C GLN A 55 -3.769 -11.276 7.268 1.00 0.00 C ATOM 681 O GLN A 55 -2.929 -10.481 7.691 1.00 0.00 O ATOM 682 CB GLN A 55 -5.703 -11.973 8.692 1.00 0.00 C ATOM 683 CG GLN A 55 -6.271 -11.219 9.882 1.00 0.00 C ATOM 684 CD GLN A 55 -7.348 -12.001 10.611 1.00 0.00 C ATOM 685 OE1 GLN A 55 -7.878 -12.983 10.091 1.00 0.00 O ATOM 686 NE2 GLN A 55 -7.675 -11.568 11.824 1.00 0.00 N ATOM 0 H GLN A 55 -6.634 -12.152 6.411 1.00 0.00 H new ATOM 0 HA GLN A 55 -5.401 -10.025 7.843 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -6.457 -12.665 8.318 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -4.856 -12.573 9.024 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -5.465 -10.985 10.577 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -6.684 -10.270 9.542 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -7.210 -10.749 12.216 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -8.391 -12.054 12.363 1.00 0.00 H new ATOM 691 N GLU A 56 -3.454 -12.352 6.552 1.00 0.00 N ATOM 692 CA GLU A 56 -2.070 -12.666 6.212 1.00 0.00 C ATOM 693 C GLU A 56 -1.465 -11.570 5.342 1.00 0.00 C ATOM 694 O GLU A 56 -0.324 -11.156 5.547 1.00 0.00 O ATOM 695 CB GLU A 56 -1.992 -14.012 5.489 1.00 0.00 C ATOM 696 CG GLU A 56 -2.366 -15.195 6.366 1.00 0.00 C ATOM 697 CD GLU A 56 -2.218 -16.522 5.649 1.00 0.00 C ATOM 698 OE1 GLU A 56 -2.842 -16.693 4.580 1.00 0.00 O ATOM 699 OE2 GLU A 56 -1.478 -17.391 6.155 1.00 0.00 O ATOM 0 H GLU A 56 -4.138 -13.020 6.197 1.00 0.00 H new ATOM 0 HA GLU A 56 -1.498 -12.728 7.138 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -2.653 -13.989 4.623 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -0.979 -14.155 5.113 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -1.737 -15.195 7.257 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -3.396 -15.081 6.703 1.00 0.00 H new ATOM 702 N GLY A 57 -2.242 -11.095 4.375 1.00 0.00 N ATOM 703 CA GLY A 57 -1.767 -10.043 3.498 1.00 0.00 C ATOM 704 C GLY A 57 -1.707 -8.703 4.202 1.00 0.00 C ATOM 705 O GLY A 57 -0.999 -7.796 3.768 1.00 0.00 O ATOM 0 H GLY A 57 -3.190 -11.419 4.184 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -0.776 -10.302 3.125 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -2.424 -9.969 2.632 1.00 0.00 H new ATOM 709 N LEU A 58 -2.454 -8.585 5.296 1.00 0.00 N ATOM 710 CA LEU A 58 -2.485 -7.354 6.072 1.00 0.00 C ATOM 711 C LEU A 58 -1.176 -7.157 6.834 1.00 0.00 C ATOM 712 O LEU A 58 -0.633 -6.053 6.874 1.00 0.00 O ATOM 713 CB LEU A 58 -3.663 -7.372 7.047 1.00 0.00 C ATOM 714 CG LEU A 58 -4.376 -6.031 7.228 1.00 0.00 C ATOM 715 CD1 LEU A 58 -5.849 -6.246 7.534 1.00 0.00 C ATOM 716 CD2 LEU A 58 -3.713 -5.219 8.331 1.00 0.00 C ATOM 0 H LEU A 58 -3.046 -9.330 5.664 1.00 0.00 H new ATOM 0 HA LEU A 58 -2.609 -6.520 5.381 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -4.389 -8.108 6.702 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -3.305 -7.709 8.019 1.00 0.00 H new ATOM 0 HG LEU A 58 -4.298 -5.472 6.296 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -6.339 -5.281 7.659 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -6.317 -6.786 6.711 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -5.949 -6.826 8.452 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -4.233 -4.268 8.446 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -3.759 -5.773 9.268 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -2.671 -5.033 8.070 1.00 0.00 H new ATOM 726 N MET A 59 -0.673 -8.235 7.434 1.00 0.00 N ATOM 727 CA MET A 59 0.578 -8.169 8.188 1.00 0.00 C ATOM 728 C MET A 59 1.759 -7.947 7.251 1.00 0.00 C ATOM 729 O MET A 59 2.624 -7.113 7.520 1.00 0.00 O ATOM 730 CB MET A 59 0.802 -9.442 9.011 1.00 0.00 C ATOM 731 CG MET A 59 0.055 -10.654 8.491 1.00 0.00 C ATOM 732 SD MET A 59 0.740 -12.207 9.101 1.00 0.00 S ATOM 733 CE MET A 59 2.206 -12.352 8.082 1.00 0.00 C ATOM 0 H MET A 59 -1.108 -9.157 7.413 1.00 0.00 H new ATOM 0 HA MET A 59 0.502 -7.325 8.874 1.00 0.00 H new ATOM 0 HB2 MET A 59 1.868 -9.666 9.030 1.00 0.00 H new ATOM 0 HB3 MET A 59 0.497 -9.255 10.041 1.00 0.00 H new ATOM 0 HG2 MET A 59 -0.993 -10.584 8.784 1.00 0.00 H new ATOM 0 HG3 MET A 59 0.082 -10.653 7.401 1.00 0.00 H new ATOM 0 HE1 MET A 59 2.049 -13.121 7.326 1.00 0.00 H new ATOM 0 HE2 MET A 59 2.406 -11.398 7.594 1.00 0.00 H new ATOM 0 HE3 MET A 59 3.057 -12.625 8.706 1.00 0.00 H new ATOM 739 N ILE A 60 1.788 -8.694 6.150 1.00 0.00 N ATOM 740 CA ILE A 60 2.862 -8.569 5.174 1.00 0.00 C ATOM 741 C ILE A 60 2.952 -7.137 4.654 1.00 0.00 C ATOM 742 O ILE A 60 4.034 -6.547 4.610 1.00 0.00 O ATOM 743 CB ILE A 60 2.664 -9.532 3.986 1.00 0.00 C ATOM 744 CG1 ILE A 60 2.548 -10.978 4.482 1.00 0.00 C ATOM 745 CG2 ILE A 60 3.810 -9.395 2.992 1.00 0.00 C ATOM 746 CD1 ILE A 60 3.810 -11.507 5.134 1.00 0.00 C ATOM 0 H ILE A 60 1.081 -9.390 5.914 1.00 0.00 H new ATOM 0 HA ILE A 60 3.790 -8.831 5.682 1.00 0.00 H new ATOM 0 HB ILE A 60 1.737 -9.268 3.478 1.00 0.00 H new ATOM 0 HG12 ILE A 60 1.727 -11.042 5.197 1.00 0.00 H new ATOM 0 HG13 ILE A 60 2.289 -11.621 3.641 1.00 0.00 H new ATOM 0 HG21 ILE A 60 3.654 -10.082 2.160 1.00 0.00 H new ATOM 0 HG22 ILE A 60 3.846 -8.372 2.617 1.00 0.00 H new ATOM 0 HG23 ILE A 60 4.751 -9.633 3.487 1.00 0.00 H new ATOM 0 HD11 ILE A 60 3.649 -12.535 5.458 1.00 0.00 H new ATOM 0 HD12 ILE A 60 4.630 -11.477 4.417 1.00 0.00 H new ATOM 0 HD13 ILE A 60 4.060 -10.890 5.997 1.00 0.00 H new ATOM 756 N ALA A 61 1.806 -6.581 4.273 1.00 0.00 N ATOM 757 CA ALA A 61 1.753 -5.213 3.772 1.00 0.00 C ATOM 758 C ALA A 61 2.236 -4.240 4.838 1.00 0.00 C ATOM 759 O ALA A 61 2.859 -3.222 4.530 1.00 0.00 O ATOM 760 CB ALA A 61 0.339 -4.862 3.332 1.00 0.00 C ATOM 0 H ALA A 61 0.904 -7.056 4.302 1.00 0.00 H new ATOM 0 HA ALA A 61 2.412 -5.135 2.907 1.00 0.00 H new ATOM 0 HB1 ALA A 61 0.317 -3.837 2.961 1.00 0.00 H new ATOM 0 HB2 ALA A 61 0.025 -5.542 2.540 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -0.340 -4.955 4.180 1.00 0.00 H new ATOM 766 N SER A 62 1.960 -4.568 6.097 1.00 0.00 N ATOM 767 CA SER A 62 2.380 -3.731 7.213 1.00 0.00 C ATOM 768 C SER A 62 3.900 -3.652 7.256 1.00 0.00 C ATOM 769 O SER A 62 4.470 -2.616 7.600 1.00 0.00 O ATOM 770 CB SER A 62 1.845 -4.289 8.533 1.00 0.00 C ATOM 771 OG SER A 62 0.829 -3.456 9.064 1.00 0.00 O ATOM 0 H SER A 62 1.448 -5.407 6.368 1.00 0.00 H new ATOM 0 HA SER A 62 1.973 -2.730 7.072 1.00 0.00 H new ATOM 0 HB2 SER A 62 1.451 -5.293 8.374 1.00 0.00 H new ATOM 0 HB3 SER A 62 2.660 -4.377 9.251 1.00 0.00 H new ATOM 0 HG SER A 62 0.502 -3.835 9.907 1.00 0.00 H new ATOM 775 N SER A 63 4.548 -4.752 6.883 1.00 0.00 N ATOM 776 CA SER A 63 6.003 -4.811 6.858 1.00 0.00 C ATOM 777 C SER A 63 6.538 -3.954 5.719 1.00 0.00 C ATOM 778 O SER A 63 7.608 -3.354 5.827 1.00 0.00 O ATOM 779 CB SER A 63 6.476 -6.257 6.697 1.00 0.00 C ATOM 780 OG SER A 63 7.364 -6.624 7.739 1.00 0.00 O ATOM 0 H SER A 63 4.086 -5.614 6.594 1.00 0.00 H new ATOM 0 HA SER A 63 6.385 -4.425 7.803 1.00 0.00 H new ATOM 0 HB2 SER A 63 5.616 -6.926 6.696 1.00 0.00 H new ATOM 0 HB3 SER A 63 6.972 -6.375 5.734 1.00 0.00 H new ATOM 0 HG SER A 63 7.650 -7.553 7.613 1.00 0.00 H new ATOM 784 N LEU A 64 5.772 -3.895 4.631 1.00 0.00 N ATOM 785 CA LEU A 64 6.149 -3.099 3.469 1.00 0.00 C ATOM 786 C LEU A 64 6.343 -1.642 3.867 1.00 0.00 C ATOM 787 O LEU A 64 7.411 -1.066 3.665 1.00 0.00 O ATOM 788 CB LEU A 64 5.071 -3.198 2.386 1.00 0.00 C ATOM 789 CG LEU A 64 5.435 -4.057 1.177 1.00 0.00 C ATOM 790 CD1 LEU A 64 4.253 -4.918 0.758 1.00 0.00 C ATOM 791 CD2 LEU A 64 5.897 -3.182 0.022 1.00 0.00 C ATOM 0 H LEU A 64 4.886 -4.390 4.532 1.00 0.00 H new ATOM 0 HA LEU A 64 7.088 -3.488 3.074 1.00 0.00 H new ATOM 0 HB2 LEU A 64 4.163 -3.600 2.836 1.00 0.00 H new ATOM 0 HB3 LEU A 64 4.836 -2.192 2.038 1.00 0.00 H new ATOM 0 HG LEU A 64 6.256 -4.717 1.458 1.00 0.00 H new ATOM 0 HD11 LEU A 64 4.531 -5.523 -0.105 1.00 0.00 H new ATOM 0 HD12 LEU A 64 3.968 -5.571 1.583 1.00 0.00 H new ATOM 0 HD13 LEU A 64 3.411 -4.277 0.495 1.00 0.00 H new ATOM 0 HD21 LEU A 64 6.152 -3.811 -0.831 1.00 0.00 H new ATOM 0 HD22 LEU A 64 5.097 -2.497 -0.258 1.00 0.00 H new ATOM 0 HD23 LEU A 64 6.774 -2.610 0.327 1.00 0.00 H new ATOM 801 N LEU A 65 5.297 -1.056 4.440 1.00 0.00 N ATOM 802 CA LEU A 65 5.337 0.332 4.878 1.00 0.00 C ATOM 803 C LEU A 65 6.305 0.501 6.045 1.00 0.00 C ATOM 804 O LEU A 65 6.877 1.573 6.238 1.00 0.00 O ATOM 805 CB LEU A 65 3.934 0.797 5.281 1.00 0.00 C ATOM 806 CG LEU A 65 3.850 2.221 5.837 1.00 0.00 C ATOM 807 CD1 LEU A 65 4.251 3.236 4.778 1.00 0.00 C ATOM 808 CD2 LEU A 65 2.444 2.508 6.342 1.00 0.00 C ATOM 0 H LEU A 65 4.408 -1.525 4.612 1.00 0.00 H new ATOM 0 HA LEU A 65 5.689 0.946 4.049 1.00 0.00 H new ATOM 0 HB2 LEU A 65 3.282 0.726 4.411 1.00 0.00 H new ATOM 0 HB3 LEU A 65 3.542 0.109 6.030 1.00 0.00 H new ATOM 0 HG LEU A 65 4.545 2.306 6.672 1.00 0.00 H new ATOM 0 HD11 LEU A 65 4.184 4.241 5.194 1.00 0.00 H new ATOM 0 HD12 LEU A 65 5.275 3.043 4.458 1.00 0.00 H new ATOM 0 HD13 LEU A 65 3.582 3.152 3.922 1.00 0.00 H new ATOM 0 HD21 LEU A 65 2.399 3.524 6.735 1.00 0.00 H new ATOM 0 HD22 LEU A 65 1.734 2.404 5.521 1.00 0.00 H new ATOM 0 HD23 LEU A 65 2.190 1.802 7.133 1.00 0.00 H new ATOM 818 N ASN A 66 6.488 -0.571 6.813 1.00 0.00 N ATOM 819 CA ASN A 66 7.394 -0.548 7.956 1.00 0.00 C ATOM 820 C ASN A 66 8.805 -0.178 7.509 1.00 0.00 C ATOM 821 O ASN A 66 9.456 0.674 8.113 1.00 0.00 O ATOM 822 CB ASN A 66 7.402 -1.912 8.654 1.00 0.00 C ATOM 823 CG ASN A 66 8.680 -2.161 9.433 1.00 0.00 C ATOM 824 OD1 ASN A 66 8.931 -1.527 10.456 1.00 0.00 O ATOM 825 ND2 ASN A 66 9.497 -3.089 8.946 1.00 0.00 N ATOM 0 H ASN A 66 6.021 -1.465 6.664 1.00 0.00 H new ATOM 0 HA ASN A 66 7.043 0.205 8.661 1.00 0.00 H new ATOM 0 HB2 ASN A 66 6.550 -1.975 9.331 1.00 0.00 H new ATOM 0 HB3 ASN A 66 7.276 -2.698 7.909 1.00 0.00 H new ATOM 0 HD21 ASN A 66 10.373 -3.299 9.425 1.00 0.00 H new ATOM 0 HD22 ASN A 66 9.248 -3.591 8.094 1.00 0.00 H new ATOM 830 N GLU A 67 9.263 -0.822 6.440 1.00 0.00 N ATOM 831 CA GLU A 67 10.591 -0.557 5.900 1.00 0.00 C ATOM 832 C GLU A 67 10.628 0.806 5.220 1.00 0.00 C ATOM 833 O GLU A 67 11.697 1.372 4.995 1.00 0.00 O ATOM 834 CB GLU A 67 10.987 -1.649 4.904 1.00 0.00 C ATOM 835 CG GLU A 67 11.762 -2.796 5.531 1.00 0.00 C ATOM 836 CD GLU A 67 12.690 -3.481 4.545 1.00 0.00 C ATOM 837 OE1 GLU A 67 13.401 -2.770 3.805 1.00 0.00 O ATOM 838 OE2 GLU A 67 12.705 -4.730 4.515 1.00 0.00 O ATOM 0 H GLU A 67 8.734 -1.530 5.931 1.00 0.00 H new ATOM 0 HA GLU A 67 11.304 -0.556 6.725 1.00 0.00 H new ATOM 0 HB2 GLU A 67 10.086 -2.045 4.435 1.00 0.00 H new ATOM 0 HB3 GLU A 67 11.590 -1.205 4.112 1.00 0.00 H new ATOM 0 HG2 GLU A 67 12.345 -2.419 6.371 1.00 0.00 H new ATOM 0 HG3 GLU A 67 11.060 -3.527 5.932 1.00 0.00 H new ATOM 841 N GLY A 68 9.446 1.324 4.894 1.00 0.00 N ATOM 842 CA GLY A 68 9.356 2.616 4.239 1.00 0.00 C ATOM 843 C GLY A 68 9.102 2.489 2.751 1.00 0.00 C ATOM 844 O GLY A 68 9.329 3.433 1.993 1.00 0.00 O ATOM 0 H GLY A 68 8.550 0.871 5.072 1.00 0.00 H new ATOM 0 HA2 GLY A 68 8.554 3.197 4.694 1.00 0.00 H new ATOM 0 HA3 GLY A 68 10.281 3.169 4.402 1.00 0.00 H new ATOM 848 N TYR A 69 8.627 1.320 2.334 1.00 0.00 N ATOM 849 CA TYR A 69 8.340 1.067 0.928 1.00 0.00 C ATOM 850 C TYR A 69 7.144 1.889 0.459 1.00 0.00 C ATOM 851 O TYR A 69 7.106 2.348 -0.682 1.00 0.00 O ATOM 852 CB TYR A 69 8.071 -0.423 0.700 1.00 0.00 C ATOM 853 CG TYR A 69 9.313 -1.286 0.775 1.00 0.00 C ATOM 854 CD1 TYR A 69 10.435 -0.996 0.008 1.00 0.00 C ATOM 855 CD2 TYR A 69 9.360 -2.393 1.612 1.00 0.00 C ATOM 856 CE1 TYR A 69 11.569 -1.783 0.075 1.00 0.00 C ATOM 857 CE2 TYR A 69 10.491 -3.186 1.684 1.00 0.00 C ATOM 858 CZ TYR A 69 11.592 -2.876 0.914 1.00 0.00 C ATOM 859 OH TYR A 69 12.719 -3.663 0.984 1.00 0.00 O ATOM 0 H TYR A 69 8.433 0.532 2.952 1.00 0.00 H new ATOM 0 HA TYR A 69 9.212 1.365 0.346 1.00 0.00 H new ATOM 0 HB2 TYR A 69 7.353 -0.771 1.442 1.00 0.00 H new ATOM 0 HB3 TYR A 69 7.607 -0.554 -0.278 1.00 0.00 H new ATOM 0 HD1 TYR A 69 10.420 -0.141 -0.652 1.00 0.00 H new ATOM 0 HD2 TYR A 69 8.499 -2.639 2.217 1.00 0.00 H new ATOM 0 HE1 TYR A 69 12.433 -1.543 -0.527 1.00 0.00 H new ATOM 0 HE2 TYR A 69 10.512 -4.044 2.340 1.00 0.00 H new ATOM 0 HH TYR A 69 13.165 -3.520 1.845 1.00 0.00 H new ATOM 867 N LEU A 70 6.170 2.070 1.345 1.00 0.00 N ATOM 868 CA LEU A 70 4.972 2.837 1.020 1.00 0.00 C ATOM 869 C LEU A 70 5.039 4.231 1.638 1.00 0.00 C ATOM 870 O LEU A 70 5.968 4.544 2.384 1.00 0.00 O ATOM 871 CB LEU A 70 3.725 2.105 1.523 1.00 0.00 C ATOM 872 CG LEU A 70 2.967 1.287 0.474 1.00 0.00 C ATOM 873 CD1 LEU A 70 2.219 2.206 -0.474 1.00 0.00 C ATOM 874 CD2 LEU A 70 3.917 0.379 -0.298 1.00 0.00 C ATOM 0 H LEU A 70 6.186 1.696 2.294 1.00 0.00 H new ATOM 0 HA LEU A 70 4.915 2.940 -0.064 1.00 0.00 H new ATOM 0 HB2 LEU A 70 4.020 1.438 2.333 1.00 0.00 H new ATOM 0 HB3 LEU A 70 3.041 2.840 1.948 1.00 0.00 H new ATOM 0 HG LEU A 70 2.243 0.657 0.990 1.00 0.00 H new ATOM 0 HD11 LEU A 70 1.685 1.609 -1.214 1.00 0.00 H new ATOM 0 HD12 LEU A 70 1.506 2.808 0.090 1.00 0.00 H new ATOM 0 HD13 LEU A 70 2.928 2.862 -0.980 1.00 0.00 H new ATOM 0 HD21 LEU A 70 3.355 -0.192 -1.037 1.00 0.00 H new ATOM 0 HD22 LEU A 70 4.669 0.985 -0.803 1.00 0.00 H new ATOM 0 HD23 LEU A 70 4.407 -0.306 0.393 1.00 0.00 H new ATOM 884 N GLN A 71 4.048 5.062 1.326 1.00 0.00 N ATOM 885 CA GLN A 71 3.994 6.419 1.855 1.00 0.00 C ATOM 886 C GLN A 71 2.550 6.830 2.145 1.00 0.00 C ATOM 887 O GLN A 71 1.796 7.156 1.229 1.00 0.00 O ATOM 888 CB GLN A 71 4.633 7.399 0.873 1.00 0.00 C ATOM 889 CG GLN A 71 5.376 8.539 1.551 1.00 0.00 C ATOM 890 CD GLN A 71 6.879 8.435 1.386 1.00 0.00 C ATOM 891 OE1 GLN A 71 7.446 7.343 1.415 1.00 0.00 O ATOM 892 NE2 GLN A 71 7.534 9.577 1.211 1.00 0.00 N ATOM 0 H GLN A 71 3.273 4.818 0.710 1.00 0.00 H new ATOM 0 HA GLN A 71 4.554 6.443 2.790 1.00 0.00 H new ATOM 0 HB2 GLN A 71 5.325 6.856 0.229 1.00 0.00 H new ATOM 0 HB3 GLN A 71 3.857 7.813 0.229 1.00 0.00 H new ATOM 0 HG2 GLN A 71 5.034 9.488 1.138 1.00 0.00 H new ATOM 0 HG3 GLN A 71 5.130 8.547 2.613 1.00 0.00 H new ATOM 0 HE21 GLN A 71 7.024 10.460 1.194 1.00 0.00 H new ATOM 0 HE22 GLN A 71 8.547 9.571 1.094 1.00 0.00 H new ATOM 897 N PRO A 72 2.147 6.815 3.429 1.00 0.00 N ATOM 898 CA PRO A 72 0.790 7.181 3.855 1.00 0.00 C ATOM 899 C PRO A 72 0.348 8.544 3.329 1.00 0.00 C ATOM 900 O PRO A 72 1.175 9.417 3.058 1.00 0.00 O ATOM 901 CB PRO A 72 0.897 7.212 5.389 1.00 0.00 C ATOM 902 CG PRO A 72 2.355 7.243 5.673 1.00 0.00 C ATOM 903 CD PRO A 72 2.972 6.438 4.584 1.00 0.00 C ATOM 0 HA PRO A 72 0.047 6.481 3.472 1.00 0.00 H new ATOM 0 HB2 PRO A 72 0.396 8.088 5.802 1.00 0.00 H new ATOM 0 HB3 PRO A 72 0.427 6.336 5.835 1.00 0.00 H new ATOM 0 HG2 PRO A 72 2.736 8.264 5.674 1.00 0.00 H new ATOM 0 HG3 PRO A 72 2.576 6.819 6.652 1.00 0.00 H new ATOM 0 HD2 PRO A 72 4.022 6.688 4.435 1.00 0.00 H new ATOM 0 HD3 PRO A 72 2.925 5.368 4.789 1.00 0.00 H new ATOM 905 N ALA A 73 -0.963 8.716 3.193 1.00 0.00 N ATOM 906 CA ALA A 73 -1.534 9.967 2.707 1.00 0.00 C ATOM 907 C ALA A 73 -2.918 10.199 3.301 1.00 0.00 C ATOM 908 O ALA A 73 -3.750 9.291 3.332 1.00 0.00 O ATOM 909 CB ALA A 73 -1.604 9.965 1.188 1.00 0.00 C ATOM 0 H ALA A 73 -1.654 7.999 3.414 1.00 0.00 H new ATOM 0 HA ALA A 73 -0.885 10.783 3.025 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -2.032 10.906 0.842 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -0.601 9.851 0.778 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -2.229 9.137 0.854 1.00 0.00 H new ATOM 915 N GLY A 74 -3.161 11.420 3.769 1.00 0.00 N ATOM 916 CA GLY A 74 -4.448 11.750 4.354 1.00 0.00 C ATOM 917 C GLY A 74 -4.343 12.121 5.819 1.00 0.00 C ATOM 918 O GLY A 74 -3.270 12.030 6.415 1.00 0.00 O ATOM 0 H GLY A 74 -2.489 12.187 3.753 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -4.891 12.580 3.804 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -5.121 10.900 4.245 1.00 0.00 H new ATOM 922 N ASP A 75 -5.463 12.543 6.401 1.00 0.00 N ATOM 923 CA ASP A 75 -5.496 12.932 7.806 1.00 0.00 C ATOM 924 C ASP A 75 -5.521 11.705 8.711 1.00 0.00 C ATOM 925 O ASP A 75 -4.933 11.706 9.793 1.00 0.00 O ATOM 926 CB ASP A 75 -6.718 13.809 8.083 1.00 0.00 C ATOM 927 CG ASP A 75 -6.356 15.092 8.806 1.00 0.00 C ATOM 928 OD1 ASP A 75 -5.967 16.066 8.128 1.00 0.00 O ATOM 929 OD2 ASP A 75 -6.463 15.123 10.050 1.00 0.00 O ATOM 0 H ASP A 75 -6.359 12.624 5.920 1.00 0.00 H new ATOM 0 HA ASP A 75 -4.591 13.500 8.022 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -7.209 14.052 7.141 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -7.436 13.248 8.681 1.00 0.00 H new ATOM 932 N MET A 76 -6.208 10.659 8.262 1.00 0.00 N ATOM 933 CA MET A 76 -6.316 9.424 9.030 1.00 0.00 C ATOM 934 C MET A 76 -4.951 8.763 9.206 1.00 0.00 C ATOM 935 O MET A 76 -4.531 8.470 10.325 1.00 0.00 O ATOM 936 CB MET A 76 -7.279 8.456 8.340 1.00 0.00 C ATOM 937 CG MET A 76 -7.735 7.313 9.231 1.00 0.00 C ATOM 938 SD MET A 76 -8.227 5.854 8.292 1.00 0.00 S ATOM 939 CE MET A 76 -9.075 4.907 9.555 1.00 0.00 C ATOM 0 H MET A 76 -6.699 10.643 7.368 1.00 0.00 H new ATOM 0 HA MET A 76 -6.704 9.675 10.017 1.00 0.00 H new ATOM 0 HB2 MET A 76 -8.153 9.009 7.997 1.00 0.00 H new ATOM 0 HB3 MET A 76 -6.795 8.044 7.454 1.00 0.00 H new ATOM 0 HG2 MET A 76 -6.929 7.046 9.914 1.00 0.00 H new ATOM 0 HG3 MET A 76 -8.573 7.646 9.843 1.00 0.00 H new ATOM 0 HE1 MET A 76 -9.439 3.973 9.127 1.00 0.00 H new ATOM 0 HE2 MET A 76 -8.385 4.688 10.370 1.00 0.00 H new ATOM 0 HE3 MET A 76 -9.918 5.483 9.937 1.00 0.00 H new ATOM 945 N SER A 77 -4.265 8.528 8.092 1.00 0.00 N ATOM 946 CA SER A 77 -2.948 7.897 8.120 1.00 0.00 C ATOM 947 C SER A 77 -1.940 8.761 8.874 1.00 0.00 C ATOM 948 O SER A 77 -0.962 8.252 9.424 1.00 0.00 O ATOM 949 CB SER A 77 -2.451 7.642 6.697 1.00 0.00 C ATOM 950 OG SER A 77 -2.320 8.854 5.976 1.00 0.00 O ATOM 0 H SER A 77 -4.599 8.765 7.158 1.00 0.00 H new ATOM 0 HA SER A 77 -3.044 6.945 8.642 1.00 0.00 H new ATOM 0 HB2 SER A 77 -1.489 7.130 6.731 1.00 0.00 H new ATOM 0 HB3 SER A 77 -3.146 6.981 6.179 1.00 0.00 H new ATOM 0 HG SER A 77 -1.417 9.213 6.101 1.00 0.00 H new ATOM 954 N LYS A 78 -2.183 10.067 8.895 1.00 0.00 N ATOM 955 CA LYS A 78 -1.294 10.999 9.580 1.00 0.00 C ATOM 956 C LYS A 78 -1.420 10.865 11.095 1.00 0.00 C ATOM 957 O LYS A 78 -0.516 11.251 11.837 1.00 0.00 O ATOM 958 CB LYS A 78 -1.605 12.438 9.155 1.00 0.00 C ATOM 959 CG LYS A 78 -0.689 12.957 8.060 1.00 0.00 C ATOM 960 CD LYS A 78 -0.898 14.442 7.815 1.00 0.00 C ATOM 961 CE LYS A 78 0.187 15.016 6.920 1.00 0.00 C ATOM 962 NZ LYS A 78 0.057 16.492 6.766 1.00 0.00 N ATOM 0 H LYS A 78 -2.988 10.504 8.446 1.00 0.00 H new ATOM 0 HA LYS A 78 -0.269 10.756 9.299 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -2.638 12.492 8.810 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -1.525 13.091 10.024 1.00 0.00 H new ATOM 0 HG2 LYS A 78 0.350 12.776 8.337 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -0.874 12.406 7.138 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -1.873 14.602 7.355 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -0.904 14.972 8.768 1.00 0.00 H new ATOM 0 HE2 LYS A 78 1.165 14.779 7.338 1.00 0.00 H new ATOM 0 HE3 LYS A 78 0.137 14.543 5.939 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 0.816 16.845 6.148 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -0.866 16.717 6.343 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 0.131 16.946 7.699 1.00 0.00 H new ATOM 968 N SER A 79 -2.543 10.313 11.547 1.00 0.00 N ATOM 969 CA SER A 79 -2.783 10.126 12.973 1.00 0.00 C ATOM 970 C SER A 79 -2.407 8.713 13.407 1.00 0.00 C ATOM 971 O SER A 79 -2.144 8.464 14.583 1.00 0.00 O ATOM 972 CB SER A 79 -4.248 10.403 13.309 1.00 0.00 C ATOM 973 OG SER A 79 -5.089 9.375 12.814 1.00 0.00 O ATOM 0 H SER A 79 -3.300 9.988 10.946 1.00 0.00 H new ATOM 0 HA SER A 79 -2.156 10.833 13.516 1.00 0.00 H new ATOM 0 HB2 SER A 79 -4.367 10.486 14.389 1.00 0.00 H new ATOM 0 HB3 SER A 79 -4.548 11.360 12.881 1.00 0.00 H new ATOM 0 HG SER A 79 -4.843 9.168 11.888 1.00 0.00 H new ATOM 977 N ALA A 80 -2.383 7.792 12.448 1.00 0.00 N ATOM 978 CA ALA A 80 -2.038 6.404 12.729 1.00 0.00 C ATOM 979 C ALA A 80 -0.552 6.258 13.039 1.00 0.00 C ATOM 980 O ALA A 80 -0.139 5.317 13.717 1.00 0.00 O ATOM 981 CB ALA A 80 -2.424 5.516 11.556 1.00 0.00 C ATOM 0 H ALA A 80 -2.599 7.983 11.469 1.00 0.00 H new ATOM 0 HA ALA A 80 -2.598 6.088 13.609 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -2.160 4.482 11.780 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -3.498 5.587 11.383 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -1.891 5.841 10.663 1.00 0.00 H new ATOM 1067 N PRO A 88 1.785 0.896 10.770 1.00 0.00 N ATOM 1068 CA PRO A 88 0.929 2.009 10.363 1.00 0.00 C ATOM 1069 C PRO A 88 0.204 1.743 9.048 1.00 0.00 C ATOM 1070 O PRO A 88 -0.109 2.674 8.304 1.00 0.00 O ATOM 1071 CB PRO A 88 1.925 3.155 10.208 1.00 0.00 C ATOM 1072 CG PRO A 88 3.197 2.500 9.779 1.00 0.00 C ATOM 1073 CD PRO A 88 3.184 1.101 10.345 1.00 0.00 C ATOM 0 HA PRO A 88 0.131 2.202 11.080 1.00 0.00 H new ATOM 0 HB2 PRO A 88 1.583 3.878 9.468 1.00 0.00 H new ATOM 0 HB3 PRO A 88 2.055 3.696 11.146 1.00 0.00 H new ATOM 0 HG2 PRO A 88 3.271 2.476 8.692 1.00 0.00 H new ATOM 0 HG3 PRO A 88 4.060 3.056 10.145 1.00 0.00 H new ATOM 0 HD2 PRO A 88 3.485 0.366 9.598 1.00 0.00 H new ATOM 0 HD3 PRO A 88 3.873 1.004 11.184 1.00 0.00 H new ATOM 1075 N PHE A 89 -0.066 0.472 8.767 1.00 0.00 N ATOM 1076 CA PHE A 89 -0.761 0.089 7.543 1.00 0.00 C ATOM 1077 C PHE A 89 -2.226 -0.227 7.829 1.00 0.00 C ATOM 1078 O PHE A 89 -2.537 -1.158 8.572 1.00 0.00 O ATOM 1079 CB PHE A 89 -0.082 -1.121 6.898 1.00 0.00 C ATOM 1080 CG PHE A 89 -0.364 -1.256 5.428 1.00 0.00 C ATOM 1081 CD1 PHE A 89 -1.569 -1.775 4.983 1.00 0.00 C ATOM 1082 CD2 PHE A 89 0.577 -0.859 4.490 1.00 0.00 C ATOM 1083 CE1 PHE A 89 -1.831 -1.899 3.631 1.00 0.00 C ATOM 1084 CE2 PHE A 89 0.321 -0.980 3.137 1.00 0.00 C ATOM 1085 CZ PHE A 89 -0.885 -1.501 2.708 1.00 0.00 C ATOM 0 H PHE A 89 0.186 -0.311 9.371 1.00 0.00 H new ATOM 0 HA PHE A 89 -0.715 0.930 6.851 1.00 0.00 H new ATOM 0 HB2 PHE A 89 0.995 -1.045 7.047 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -0.412 -2.027 7.407 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -2.313 -2.087 5.701 1.00 0.00 H new ATOM 0 HD2 PHE A 89 1.521 -0.451 4.820 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -2.774 -2.306 3.298 1.00 0.00 H new ATOM 0 HE2 PHE A 89 1.062 -0.668 2.416 1.00 0.00 H new ATOM 0 HZ PHE A 89 -1.087 -1.597 1.651 1.00 0.00 H new ATOM 1093 N LEU A 90 -3.121 0.554 7.234 1.00 0.00 N ATOM 1094 CA LEU A 90 -4.553 0.359 7.423 1.00 0.00 C ATOM 1095 C LEU A 90 -5.187 -0.259 6.181 1.00 0.00 C ATOM 1096 O LEU A 90 -4.934 0.180 5.059 1.00 0.00 O ATOM 1097 CB LEU A 90 -5.234 1.692 7.744 1.00 0.00 C ATOM 1098 CG LEU A 90 -4.866 2.299 9.099 1.00 0.00 C ATOM 1099 CD1 LEU A 90 -5.199 3.784 9.126 1.00 0.00 C ATOM 1100 CD2 LEU A 90 -5.586 1.570 10.223 1.00 0.00 C ATOM 0 H LEU A 90 -2.879 1.329 6.616 1.00 0.00 H new ATOM 0 HA LEU A 90 -4.692 -0.325 8.261 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -4.982 2.408 6.962 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -6.314 1.548 7.709 1.00 0.00 H new ATOM 0 HG LEU A 90 -3.792 2.184 9.248 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -4.931 4.199 10.097 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -4.638 4.297 8.345 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -6.267 3.921 8.955 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -5.312 2.015 11.179 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -6.663 1.653 10.079 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -5.299 0.518 10.217 1.00 0.00 H new ATOM 1110 N ASP A 91 -6.015 -1.279 6.391 1.00 0.00 N ATOM 1111 CA ASP A 91 -6.689 -1.956 5.289 1.00 0.00 C ATOM 1112 C ASP A 91 -8.020 -1.279 4.977 1.00 0.00 C ATOM 1113 O ASP A 91 -8.964 -1.921 4.520 1.00 0.00 O ATOM 1114 CB ASP A 91 -6.919 -3.430 5.630 1.00 0.00 C ATOM 1115 CG ASP A 91 -7.858 -3.611 6.807 1.00 0.00 C ATOM 1116 OD1 ASP A 91 -7.498 -3.187 7.925 1.00 0.00 O ATOM 1117 OD2 ASP A 91 -8.954 -4.179 6.609 1.00 0.00 O ATOM 0 H ASP A 91 -6.235 -1.654 7.314 1.00 0.00 H new ATOM 0 HA ASP A 91 -6.051 -1.893 4.408 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -7.329 -3.942 4.759 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -5.963 -3.901 5.856 1.00 0.00 H new ATOM 1120 N ASN A 92 -8.083 0.025 5.231 1.00 0.00 N ATOM 1121 CA ASN A 92 -9.294 0.797 4.984 1.00 0.00 C ATOM 1122 C ASN A 92 -9.130 1.680 3.749 1.00 0.00 C ATOM 1123 O ASN A 92 -8.056 2.234 3.513 1.00 0.00 O ATOM 1124 CB ASN A 92 -9.626 1.662 6.203 1.00 0.00 C ATOM 1125 CG ASN A 92 -11.115 1.905 6.352 1.00 0.00 C ATOM 1126 OD1 ASN A 92 -11.618 2.973 6.005 1.00 0.00 O ATOM 1127 ND2 ASN A 92 -11.827 0.913 6.872 1.00 0.00 N ATOM 0 H ASN A 92 -7.307 0.569 5.609 1.00 0.00 H new ATOM 0 HA ASN A 92 -10.113 0.101 4.806 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -9.248 1.177 7.103 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -9.111 2.619 6.117 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -12.834 1.019 6.998 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -11.368 0.044 7.146 1.00 0.00 H new ATOM 1132 N PRO A 93 -10.196 1.827 2.938 1.00 0.00 N ATOM 1133 CA PRO A 93 -10.153 2.650 1.729 1.00 0.00 C ATOM 1134 C PRO A 93 -10.049 4.138 2.049 1.00 0.00 C ATOM 1135 O PRO A 93 -9.692 4.946 1.191 1.00 0.00 O ATOM 1136 CB PRO A 93 -11.481 2.344 1.033 1.00 0.00 C ATOM 1137 CG PRO A 93 -12.389 1.872 2.112 1.00 0.00 C ATOM 1138 CD PRO A 93 -11.520 1.207 3.140 1.00 0.00 C ATOM 0 HA PRO A 93 -9.280 2.426 1.117 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -11.881 3.231 0.542 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -11.356 1.583 0.263 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -12.938 2.706 2.549 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -13.128 1.174 1.719 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -11.892 1.379 4.150 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -11.482 0.127 2.994 1.00 0.00 H new ATOM 1140 N ASP A 94 -10.362 4.492 3.292 1.00 0.00 N ATOM 1141 CA ASP A 94 -10.304 5.881 3.731 1.00 0.00 C ATOM 1142 C ASP A 94 -8.863 6.384 3.754 1.00 0.00 C ATOM 1143 O ASP A 94 -8.602 7.559 3.493 1.00 0.00 O ATOM 1144 CB ASP A 94 -10.929 6.025 5.122 1.00 0.00 C ATOM 1145 CG ASP A 94 -12.384 6.450 5.061 1.00 0.00 C ATOM 1146 OD1 ASP A 94 -13.019 6.252 4.004 1.00 0.00 O ATOM 1147 OD2 ASP A 94 -12.890 6.979 6.073 1.00 0.00 O ATOM 0 H ASP A 94 -10.659 3.835 4.013 1.00 0.00 H new ATOM 0 HA ASP A 94 -10.870 6.485 3.021 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -10.853 5.075 5.652 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -10.363 6.758 5.698 1.00 0.00 H new ATOM 1150 N ALA A 95 -7.932 5.487 4.063 1.00 0.00 N ATOM 1151 CA ALA A 95 -6.518 5.837 4.117 1.00 0.00 C ATOM 1152 C ALA A 95 -5.874 5.712 2.741 1.00 0.00 C ATOM 1153 O ALA A 95 -6.314 4.917 1.911 1.00 0.00 O ATOM 1154 CB ALA A 95 -5.796 4.958 5.126 1.00 0.00 C ATOM 0 H ALA A 95 -8.132 4.511 4.280 1.00 0.00 H new ATOM 0 HA ALA A 95 -6.434 6.876 4.436 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -4.741 5.230 5.156 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -6.236 5.100 6.113 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -5.893 3.913 4.833 1.00 0.00 H new ATOM 1160 N PHE A 96 -4.829 6.502 2.503 1.00 0.00 N ATOM 1161 CA PHE A 96 -4.131 6.475 1.222 1.00 0.00 C ATOM 1162 C PHE A 96 -2.689 6.012 1.389 1.00 0.00 C ATOM 1163 O PHE A 96 -2.060 6.260 2.417 1.00 0.00 O ATOM 1164 CB PHE A 96 -4.153 7.858 0.574 1.00 0.00 C ATOM 1165 CG PHE A 96 -5.533 8.396 0.333 1.00 0.00 C ATOM 1166 CD1 PHE A 96 -6.411 7.739 -0.512 1.00 0.00 C ATOM 1167 CD2 PHE A 96 -5.950 9.565 0.950 1.00 0.00 C ATOM 1168 CE1 PHE A 96 -7.680 8.234 -0.737 1.00 0.00 C ATOM 1169 CE2 PHE A 96 -7.217 10.066 0.728 1.00 0.00 C ATOM 1170 CZ PHE A 96 -8.082 9.400 -0.117 1.00 0.00 C ATOM 0 H PHE A 96 -4.449 7.166 3.178 1.00 0.00 H new ATOM 0 HA PHE A 96 -4.650 5.766 0.577 1.00 0.00 H new ATOM 0 HB2 PHE A 96 -3.608 8.555 1.211 1.00 0.00 H new ATOM 0 HB3 PHE A 96 -3.621 7.811 -0.376 1.00 0.00 H new ATOM 0 HD1 PHE A 96 -6.099 6.828 -1.001 1.00 0.00 H new ATOM 0 HD2 PHE A 96 -5.276 10.090 1.612 1.00 0.00 H new ATOM 0 HE1 PHE A 96 -8.356 7.710 -1.396 1.00 0.00 H new ATOM 0 HE2 PHE A 96 -7.531 10.978 1.215 1.00 0.00 H new ATOM 0 HZ PHE A 96 -9.073 9.791 -0.293 1.00 0.00 H new ATOM 1178 N TYR A 97 -2.172 5.347 0.362 1.00 0.00 N ATOM 1179 CA TYR A 97 -0.802 4.849 0.369 1.00 0.00 C ATOM 1180 C TYR A 97 -0.238 4.828 -1.049 1.00 0.00 C ATOM 1181 O TYR A 97 -0.610 3.977 -1.857 1.00 0.00 O ATOM 1182 CB TYR A 97 -0.745 3.439 0.965 1.00 0.00 C ATOM 1183 CG TYR A 97 -1.089 3.379 2.438 1.00 0.00 C ATOM 1184 CD1 TYR A 97 -0.225 3.898 3.395 1.00 0.00 C ATOM 1185 CD2 TYR A 97 -2.278 2.806 2.869 1.00 0.00 C ATOM 1186 CE1 TYR A 97 -0.536 3.845 4.740 1.00 0.00 C ATOM 1187 CE2 TYR A 97 -2.597 2.751 4.213 1.00 0.00 C ATOM 1188 CZ TYR A 97 -1.723 3.272 5.144 1.00 0.00 C ATOM 1189 OH TYR A 97 -2.037 3.219 6.482 1.00 0.00 O ATOM 0 H TYR A 97 -2.687 5.139 -0.494 1.00 0.00 H new ATOM 0 HA TYR A 97 -0.200 5.518 0.984 1.00 0.00 H new ATOM 0 HB2 TYR A 97 -1.432 2.795 0.415 1.00 0.00 H new ATOM 0 HB3 TYR A 97 0.257 3.034 0.819 1.00 0.00 H new ATOM 0 HD1 TYR A 97 0.705 4.350 3.082 1.00 0.00 H new ATOM 0 HD2 TYR A 97 -2.965 2.397 2.143 1.00 0.00 H new ATOM 0 HE1 TYR A 97 0.147 4.250 5.471 1.00 0.00 H new ATOM 0 HE2 TYR A 97 -3.526 2.302 4.532 1.00 0.00 H new ATOM 0 HH TYR A 97 -1.222 3.065 7.003 1.00 0.00 H new ATOM 1197 N TYR A 98 0.656 5.765 -1.349 1.00 0.00 N ATOM 1198 CA TYR A 98 1.259 5.839 -2.676 1.00 0.00 C ATOM 1199 C TYR A 98 2.692 5.317 -2.653 1.00 0.00 C ATOM 1200 O TYR A 98 3.188 4.883 -1.612 1.00 0.00 O ATOM 1201 CB TYR A 98 1.228 7.276 -3.209 1.00 0.00 C ATOM 1202 CG TYR A 98 2.007 8.269 -2.375 1.00 0.00 C ATOM 1203 CD1 TYR A 98 1.410 8.933 -1.312 1.00 0.00 C ATOM 1204 CD2 TYR A 98 3.337 8.549 -2.661 1.00 0.00 C ATOM 1205 CE1 TYR A 98 2.117 9.846 -0.554 1.00 0.00 C ATOM 1206 CE2 TYR A 98 4.051 9.463 -1.908 1.00 0.00 C ATOM 1207 CZ TYR A 98 3.437 10.108 -0.856 1.00 0.00 C ATOM 1208 OH TYR A 98 4.145 11.017 -0.105 1.00 0.00 O ATOM 0 H TYR A 98 0.978 6.480 -0.696 1.00 0.00 H new ATOM 0 HA TYR A 98 0.673 5.208 -3.344 1.00 0.00 H new ATOM 0 HB2 TYR A 98 1.625 7.283 -4.224 1.00 0.00 H new ATOM 0 HB3 TYR A 98 0.191 7.606 -3.270 1.00 0.00 H new ATOM 0 HD1 TYR A 98 0.376 8.732 -1.074 1.00 0.00 H new ATOM 0 HD2 TYR A 98 3.821 8.045 -3.484 1.00 0.00 H new ATOM 0 HE1 TYR A 98 1.638 10.352 0.271 1.00 0.00 H new ATOM 0 HE2 TYR A 98 5.085 9.670 -2.143 1.00 0.00 H new ATOM 0 HH TYR A 98 5.060 11.084 -0.449 1.00 0.00 H new ATOM 1216 N PHE A 99 3.351 5.359 -3.810 1.00 0.00 N ATOM 1217 CA PHE A 99 4.728 4.885 -3.922 1.00 0.00 C ATOM 1218 C PHE A 99 5.709 6.056 -3.915 1.00 0.00 C ATOM 1219 O PHE A 99 5.426 7.115 -4.474 1.00 0.00 O ATOM 1220 CB PHE A 99 4.902 4.056 -5.197 1.00 0.00 C ATOM 1221 CG PHE A 99 4.444 2.628 -5.058 1.00 0.00 C ATOM 1222 CD1 PHE A 99 4.859 1.852 -3.986 1.00 0.00 C ATOM 1223 CD2 PHE A 99 3.596 2.065 -5.999 1.00 0.00 C ATOM 1224 CE1 PHE A 99 4.439 0.541 -3.857 1.00 0.00 C ATOM 1225 CE2 PHE A 99 3.172 0.754 -5.874 1.00 0.00 C ATOM 1226 CZ PHE A 99 3.595 -0.008 -4.802 1.00 0.00 C ATOM 0 H PHE A 99 2.955 5.715 -4.680 1.00 0.00 H new ATOM 0 HA PHE A 99 4.943 4.254 -3.059 1.00 0.00 H new ATOM 0 HB2 PHE A 99 4.346 4.529 -6.006 1.00 0.00 H new ATOM 0 HB3 PHE A 99 5.953 4.065 -5.485 1.00 0.00 H new ATOM 0 HD1 PHE A 99 5.518 2.277 -3.243 1.00 0.00 H new ATOM 0 HD2 PHE A 99 3.263 2.656 -6.839 1.00 0.00 H new ATOM 0 HE1 PHE A 99 4.771 -0.053 -3.018 1.00 0.00 H new ATOM 0 HE2 PHE A 99 2.511 0.327 -6.614 1.00 0.00 H new ATOM 0 HZ PHE A 99 3.266 -1.032 -4.703 1.00 0.00 H new