USER MOD reduce.3.24.130724 H: found=0, std=0, add=708, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 704 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 51 TYR OH : rot 119:sc= -1.82 USER MOD Set 1.2: A 82 SER OG : rot -71:sc= -8.87! USER MOD Set 2.1: A 79 LYS NZ :NH3+ 173:sc= -2.26! (180deg=-2.78!) USER MOD Set 2.2: A 81 ASN : amide:sc= -3.85! C(o=-6.1!,f=-17!) USER MOD Set 3.1: A 64 ASN : amide:sc= -10.8! C(o=-23!,f=-18!) USER MOD Set 3.2: A 87 GLN : amide:sc= -12.2! C(o=-23!,f=-20!) USER MOD Set 4.1: A 45 CYS SG : rot 141:sc= -2.18! USER MOD Set 4.2: A 47 THR OG1 : rot 180:sc= 0.146 USER MOD Set 4.3: A 48 CYS SG : rot 113:sc= -2.35! USER MOD Set 4.4: A 86 CYS SG : rot -132:sc= -13.6! USER MOD Set 5.1: A 33 TYR OH : rot 180:sc= 0 USER MOD Set 5.2: A 85 SER OG : rot -171:sc= -5.55! USER MOD Set 6.1: A 22 SER OG : rot 180:sc= 0.392 USER MOD Set 6.2: A 25 GLN : amide:sc= -2.41 K(o=-2,f=-0.43) USER MOD Single : A 1 SER N :NH3+ -112:sc= -9.85! (180deg=-13.9!) USER MOD Single : A 1 SER OG : rot 150:sc= -2.36! USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 TYR OH : rot -100:sc= -1.27! USER MOD Single : A 7 SER OG : rot 120:sc= -2.35! USER MOD Single : A 8 HIS : no HD1:sc= -4.37! C(o=-4.4!,f=-6.5!) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 MET CE :methyl -160:sc= -4.94! (180deg=-5.51!) USER MOD Single : A 29 SER OG : rot 93:sc= 1.19 USER MOD Single : A 30 ASN : amide:sc= -7.44! C(o=-7.4!,f=-5.5!) USER MOD Single : A 42 SER OG : rot 77:sc= 0.899 USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 49 HIS : no HE2:sc= -24.9! C(o=-25!,f=-28!) USER MOD Single : A 53 ASN : amide:sc= -14.4! C(o=-14!,f=-26!) USER MOD Single : A 57 THR OG1 : rot 170:sc= -0.634! USER MOD Single : A 59 LYS NZ :NH3+ -165:sc= 0 (180deg=-0.0085) USER MOD Single : A 70 MET CE :methyl -131:sc= -20.9! (180deg=-31!) USER MOD Single : A 73 CYS SG : rot 180:sc= 0 USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 MET CE :methyl 174:sc= -5.66! (180deg=-5.96!) USER MOD Single : A 91 THR OG1 : rot -110:sc= -2! USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 1.589 -10.217 -7.629 1.00 0.00 N ATOM 2 CA SER A 1 2.428 -9.934 -8.833 1.00 0.00 C ATOM 3 C SER A 1 3.725 -9.229 -8.430 1.00 0.00 C ATOM 4 O SER A 1 4.151 -9.284 -7.294 1.00 0.00 O ATOM 5 CB SER A 1 1.581 -9.020 -9.721 1.00 0.00 C ATOM 6 OG SER A 1 1.110 -9.763 -10.838 1.00 0.00 O ATOM 0 H1 SER A 1 1.548 -11.244 -7.468 1.00 0.00 H new ATOM 0 H2 SER A 1 2.007 -9.753 -6.798 1.00 0.00 H new ATOM 0 H3 SER A 1 0.627 -9.852 -7.782 1.00 0.00 H new ATOM 0 HA SER A 1 2.710 -10.852 -9.349 1.00 0.00 H new ATOM 0 HB2 SER A 1 0.740 -8.619 -9.155 1.00 0.00 H new ATOM 0 HB3 SER A 1 2.173 -8.169 -10.058 1.00 0.00 H new ATOM 0 HG SER A 1 0.247 -9.402 -11.131 1.00 0.00 H new ATOM 14 N LYS A 2 4.349 -8.563 -9.361 1.00 0.00 N ATOM 15 CA LYS A 2 5.619 -7.841 -9.051 1.00 0.00 C ATOM 16 C LYS A 2 5.303 -6.542 -8.315 1.00 0.00 C ATOM 17 O LYS A 2 4.485 -5.759 -8.756 1.00 0.00 O ATOM 18 CB LYS A 2 6.244 -7.537 -10.412 1.00 0.00 C ATOM 19 CG LYS A 2 7.767 -7.637 -10.311 1.00 0.00 C ATOM 20 CD LYS A 2 8.278 -8.682 -11.303 1.00 0.00 C ATOM 21 CE LYS A 2 9.805 -8.752 -11.231 1.00 0.00 C ATOM 22 NZ LYS A 2 10.264 -8.587 -12.638 1.00 0.00 N ATOM 0 H LYS A 2 4.034 -8.486 -10.328 1.00 0.00 H new ATOM 0 HA LYS A 2 6.287 -8.424 -8.417 1.00 0.00 H new ATOM 0 HB2 LYS A 2 5.872 -8.238 -11.159 1.00 0.00 H new ATOM 0 HB3 LYS A 2 5.956 -6.539 -10.741 1.00 0.00 H new ATOM 0 HG2 LYS A 2 8.220 -6.668 -10.522 1.00 0.00 H new ATOM 0 HG3 LYS A 2 8.057 -7.911 -9.297 1.00 0.00 H new ATOM 0 HD2 LYS A 2 7.848 -9.657 -11.074 1.00 0.00 H new ATOM 0 HD3 LYS A 2 7.963 -8.424 -12.314 1.00 0.00 H new ATOM 0 HE2 LYS A 2 10.206 -7.967 -10.590 1.00 0.00 H new ATOM 0 HE3 LYS A 2 10.138 -9.704 -10.816 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 11.303 -8.624 -12.671 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 9.872 -9.352 -13.223 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 9.939 -7.670 -13.004 1.00 0.00 H new ATOM 36 N VAL A 3 5.918 -6.304 -7.189 1.00 0.00 N ATOM 37 CA VAL A 3 5.604 -5.057 -6.449 1.00 0.00 C ATOM 38 C VAL A 3 6.858 -4.411 -5.854 1.00 0.00 C ATOM 39 O VAL A 3 7.792 -5.075 -5.453 1.00 0.00 O ATOM 40 CB VAL A 3 4.662 -5.513 -5.345 1.00 0.00 C ATOM 41 CG1 VAL A 3 4.580 -4.444 -4.271 1.00 0.00 C ATOM 42 CG2 VAL A 3 3.280 -5.740 -5.932 1.00 0.00 C ATOM 0 H VAL A 3 6.614 -6.911 -6.757 1.00 0.00 H new ATOM 0 HA VAL A 3 5.169 -4.298 -7.099 1.00 0.00 H new ATOM 0 HB VAL A 3 5.035 -6.439 -4.907 1.00 0.00 H new ATOM 0 HG11 VAL A 3 3.905 -4.773 -3.481 1.00 0.00 H new ATOM 0 HG12 VAL A 3 5.572 -4.272 -3.852 1.00 0.00 H new ATOM 0 HG13 VAL A 3 4.205 -3.518 -4.707 1.00 0.00 H new ATOM 0 HG21 VAL A 3 2.600 -6.067 -5.146 1.00 0.00 H new ATOM 0 HG22 VAL A 3 2.912 -4.811 -6.366 1.00 0.00 H new ATOM 0 HG23 VAL A 3 3.335 -6.506 -6.706 1.00 0.00 H new ATOM 52 N VAL A 4 6.852 -3.109 -5.771 1.00 0.00 N ATOM 53 CA VAL A 4 8.004 -2.375 -5.175 1.00 0.00 C ATOM 54 C VAL A 4 7.475 -1.369 -4.161 1.00 0.00 C ATOM 55 O VAL A 4 6.602 -0.579 -4.453 1.00 0.00 O ATOM 56 CB VAL A 4 8.704 -1.680 -6.338 1.00 0.00 C ATOM 57 CG1 VAL A 4 9.592 -0.553 -5.807 1.00 0.00 C ATOM 58 CG2 VAL A 4 9.565 -2.695 -7.094 1.00 0.00 C ATOM 0 H VAL A 4 6.088 -2.515 -6.095 1.00 0.00 H new ATOM 0 HA VAL A 4 8.700 -3.031 -4.652 1.00 0.00 H new ATOM 0 HB VAL A 4 7.956 -1.262 -7.012 1.00 0.00 H new ATOM 0 HG11 VAL A 4 10.090 -0.059 -6.641 1.00 0.00 H new ATOM 0 HG12 VAL A 4 8.979 0.171 -5.270 1.00 0.00 H new ATOM 0 HG13 VAL A 4 10.340 -0.967 -5.131 1.00 0.00 H new ATOM 0 HG21 VAL A 4 10.066 -2.199 -7.926 1.00 0.00 H new ATOM 0 HG22 VAL A 4 10.311 -3.114 -6.419 1.00 0.00 H new ATOM 0 HG23 VAL A 4 8.932 -3.496 -7.477 1.00 0.00 H new ATOM 68 N TYR A 5 7.974 -1.420 -2.967 1.00 0.00 N ATOM 69 CA TYR A 5 7.475 -0.504 -1.909 1.00 0.00 C ATOM 70 C TYR A 5 8.391 0.687 -1.692 1.00 0.00 C ATOM 71 O TYR A 5 9.596 0.569 -1.688 1.00 0.00 O ATOM 72 CB TYR A 5 7.453 -1.375 -0.669 1.00 0.00 C ATOM 73 CG TYR A 5 6.624 -2.583 -0.978 1.00 0.00 C ATOM 74 CD1 TYR A 5 5.256 -2.422 -1.228 1.00 0.00 C ATOM 75 CD2 TYR A 5 7.202 -3.862 -1.024 1.00 0.00 C ATOM 76 CE1 TYR A 5 4.465 -3.536 -1.520 1.00 0.00 C ATOM 77 CE2 TYR A 5 6.409 -4.954 -1.309 1.00 0.00 C ATOM 78 CZ TYR A 5 5.042 -4.806 -1.556 1.00 0.00 C ATOM 79 OH TYR A 5 4.266 -5.911 -1.840 1.00 0.00 O ATOM 0 H TYR A 5 8.712 -2.060 -2.673 1.00 0.00 H new ATOM 0 HA TYR A 5 6.506 -0.078 -2.170 1.00 0.00 H new ATOM 0 HB2 TYR A 5 8.465 -1.667 -0.388 1.00 0.00 H new ATOM 0 HB3 TYR A 5 7.033 -0.828 0.175 1.00 0.00 H new ATOM 0 HD1 TYR A 5 4.813 -1.438 -1.195 1.00 0.00 H new ATOM 0 HD2 TYR A 5 8.258 -3.989 -0.838 1.00 0.00 H new ATOM 0 HE1 TYR A 5 3.410 -3.415 -1.717 1.00 0.00 H new ATOM 0 HE2 TYR A 5 6.852 -5.939 -1.342 1.00 0.00 H new ATOM 0 HH TYR A 5 4.037 -6.373 -1.007 1.00 0.00 H new ATOM 89 N VAL A 6 7.816 1.833 -1.482 1.00 0.00 N ATOM 90 CA VAL A 6 8.661 3.040 -1.228 1.00 0.00 C ATOM 91 C VAL A 6 8.333 3.634 0.133 1.00 0.00 C ATOM 92 O VAL A 6 7.184 3.806 0.486 1.00 0.00 O ATOM 93 CB VAL A 6 8.322 4.056 -2.316 1.00 0.00 C ATOM 94 CG1 VAL A 6 9.458 5.080 -2.429 1.00 0.00 C ATOM 95 CG2 VAL A 6 8.148 3.343 -3.649 1.00 0.00 C ATOM 0 H VAL A 6 6.809 1.992 -1.474 1.00 0.00 H new ATOM 0 HA VAL A 6 9.719 2.778 -1.241 1.00 0.00 H new ATOM 0 HB VAL A 6 7.394 4.566 -2.057 1.00 0.00 H new ATOM 0 HG11 VAL A 6 9.217 5.806 -3.206 1.00 0.00 H new ATOM 0 HG12 VAL A 6 9.580 5.595 -1.476 1.00 0.00 H new ATOM 0 HG13 VAL A 6 10.385 4.568 -2.686 1.00 0.00 H new ATOM 0 HG21 VAL A 6 7.906 4.072 -4.423 1.00 0.00 H new ATOM 0 HG22 VAL A 6 9.073 2.830 -3.911 1.00 0.00 H new ATOM 0 HG23 VAL A 6 7.340 2.616 -3.570 1.00 0.00 H new ATOM 105 N SER A 7 9.329 3.980 0.890 1.00 0.00 N ATOM 106 CA SER A 7 9.058 4.597 2.208 1.00 0.00 C ATOM 107 C SER A 7 8.721 6.070 1.978 1.00 0.00 C ATOM 108 O SER A 7 8.251 6.446 0.922 1.00 0.00 O ATOM 109 CB SER A 7 10.357 4.448 2.997 1.00 0.00 C ATOM 110 OG SER A 7 11.433 4.982 2.237 1.00 0.00 O ATOM 0 H SER A 7 10.314 3.863 0.654 1.00 0.00 H new ATOM 0 HA SER A 7 8.227 4.138 2.744 1.00 0.00 H new ATOM 0 HB2 SER A 7 10.278 4.968 3.952 1.00 0.00 H new ATOM 0 HB3 SER A 7 10.541 3.397 3.221 1.00 0.00 H new ATOM 0 HG SER A 7 11.855 5.712 2.736 1.00 0.00 H new ATOM 116 N HIS A 8 8.974 6.910 2.930 1.00 0.00 N ATOM 117 CA HIS A 8 8.683 8.358 2.726 1.00 0.00 C ATOM 118 C HIS A 8 10.005 9.122 2.629 1.00 0.00 C ATOM 119 O HIS A 8 10.045 10.276 2.253 1.00 0.00 O ATOM 120 CB HIS A 8 7.842 8.821 3.933 1.00 0.00 C ATOM 121 CG HIS A 8 7.954 7.850 5.069 1.00 0.00 C ATOM 122 ND1 HIS A 8 6.908 7.027 5.400 1.00 0.00 N ATOM 123 CD2 HIS A 8 8.969 7.550 5.942 1.00 0.00 C ATOM 124 CE1 HIS A 8 7.300 6.264 6.437 1.00 0.00 C ATOM 125 NE2 HIS A 8 8.552 6.544 6.809 1.00 0.00 N ATOM 0 H HIS A 8 9.368 6.665 3.839 1.00 0.00 H new ATOM 0 HA HIS A 8 8.130 8.543 1.805 1.00 0.00 H new ATOM 0 HB2 HIS A 8 8.177 9.806 4.258 1.00 0.00 H new ATOM 0 HB3 HIS A 8 6.798 8.921 3.637 1.00 0.00 H new ATOM 0 HD2 HIS A 8 9.941 8.021 5.955 1.00 0.00 H new ATOM 0 HE1 HIS A 8 6.679 5.518 6.910 1.00 0.00 H new ATOM 0 HE2 HIS A 8 9.086 6.114 7.564 1.00 0.00 H new ATOM 133 N ASP A 9 11.092 8.467 2.941 1.00 0.00 N ATOM 134 CA ASP A 9 12.424 9.126 2.845 1.00 0.00 C ATOM 135 C ASP A 9 13.120 8.693 1.549 1.00 0.00 C ATOM 136 O ASP A 9 14.248 9.060 1.287 1.00 0.00 O ATOM 137 CB ASP A 9 13.202 8.637 4.067 1.00 0.00 C ATOM 138 CG ASP A 9 13.411 7.124 3.967 1.00 0.00 C ATOM 139 OD1 ASP A 9 12.995 6.554 2.973 1.00 0.00 O ATOM 140 OD2 ASP A 9 13.983 6.564 4.887 1.00 0.00 O ATOM 0 H ASP A 9 11.113 7.498 3.260 1.00 0.00 H new ATOM 0 HA ASP A 9 12.353 10.214 2.826 1.00 0.00 H new ATOM 0 HB2 ASP A 9 14.165 9.145 4.126 1.00 0.00 H new ATOM 0 HB3 ASP A 9 12.657 8.880 4.979 1.00 0.00 H new ATOM 145 N GLY A 10 12.452 7.913 0.736 1.00 0.00 N ATOM 146 CA GLY A 10 13.071 7.457 -0.542 1.00 0.00 C ATOM 147 C GLY A 10 13.372 5.956 -0.478 1.00 0.00 C ATOM 148 O GLY A 10 13.360 5.273 -1.483 1.00 0.00 O ATOM 0 H GLY A 10 11.505 7.573 0.904 1.00 0.00 H new ATOM 0 HA2 GLY A 10 12.399 7.665 -1.375 1.00 0.00 H new ATOM 0 HA3 GLY A 10 13.990 8.012 -0.728 1.00 0.00 H new ATOM 152 N THR A 11 13.639 5.431 0.688 1.00 0.00 N ATOM 153 CA THR A 11 13.933 3.981 0.794 1.00 0.00 C ATOM 154 C THR A 11 12.849 3.194 0.064 1.00 0.00 C ATOM 155 O THR A 11 11.670 3.462 0.188 1.00 0.00 O ATOM 156 CB THR A 11 13.958 3.685 2.305 1.00 0.00 C ATOM 157 OG1 THR A 11 15.261 3.255 2.671 1.00 0.00 O ATOM 158 CG2 THR A 11 12.944 2.596 2.684 1.00 0.00 C ATOM 0 H THR A 11 13.665 5.946 1.568 1.00 0.00 H new ATOM 0 HA THR A 11 14.880 3.695 0.336 1.00 0.00 H new ATOM 0 HB THR A 11 13.690 4.598 2.836 1.00 0.00 H new ATOM 0 HG1 THR A 11 15.285 3.066 3.632 1.00 0.00 H new ATOM 0 HG21 THR A 11 12.990 2.414 3.758 1.00 0.00 H new ATOM 0 HG22 THR A 11 11.940 2.924 2.414 1.00 0.00 H new ATOM 0 HG23 THR A 11 13.181 1.676 2.149 1.00 0.00 H new ATOM 166 N ARG A 12 13.254 2.242 -0.701 1.00 0.00 N ATOM 167 CA ARG A 12 12.268 1.428 -1.470 1.00 0.00 C ATOM 168 C ARG A 12 12.512 -0.075 -1.283 1.00 0.00 C ATOM 169 O ARG A 12 13.575 -0.502 -0.880 1.00 0.00 O ATOM 170 CB ARG A 12 12.487 1.824 -2.930 1.00 0.00 C ATOM 171 CG ARG A 12 11.840 3.184 -3.193 1.00 0.00 C ATOM 172 CD ARG A 12 11.358 3.248 -4.645 1.00 0.00 C ATOM 173 NE ARG A 12 12.594 3.126 -5.465 1.00 0.00 N ATOM 174 CZ ARG A 12 12.668 3.721 -6.624 1.00 0.00 C ATOM 175 NH1 ARG A 12 11.825 3.413 -7.572 1.00 0.00 N ATOM 176 NH2 ARG A 12 13.587 4.623 -6.837 1.00 0.00 N ATOM 0 H ARG A 12 14.231 1.981 -0.836 1.00 0.00 H new ATOM 0 HA ARG A 12 11.248 1.613 -1.133 1.00 0.00 H new ATOM 0 HB2 ARG A 12 13.554 1.869 -3.150 1.00 0.00 H new ATOM 0 HB3 ARG A 12 12.057 1.071 -3.590 1.00 0.00 H new ATOM 0 HG2 ARG A 12 11.002 3.337 -2.513 1.00 0.00 H new ATOM 0 HG3 ARG A 12 12.556 3.983 -3.001 1.00 0.00 H new ATOM 0 HD2 ARG A 12 10.657 2.442 -4.864 1.00 0.00 H new ATOM 0 HD3 ARG A 12 10.840 4.185 -4.848 1.00 0.00 H new ATOM 0 HE ARG A 12 13.383 2.578 -5.121 1.00 0.00 H new ATOM 0 HH11 ARG A 12 11.108 2.707 -7.407 1.00 0.00 H new ATOM 0 HH12 ARG A 12 11.884 3.879 -8.478 1.00 0.00 H new ATOM 0 HH21 ARG A 12 14.247 4.863 -6.098 1.00 0.00 H new ATOM 0 HH22 ARG A 12 13.645 5.088 -7.743 1.00 0.00 H new ATOM 190 N ARG A 13 11.523 -0.874 -1.590 1.00 0.00 N ATOM 191 CA ARG A 13 11.665 -2.354 -1.456 1.00 0.00 C ATOM 192 C ARG A 13 10.986 -3.036 -2.646 1.00 0.00 C ATOM 193 O ARG A 13 10.113 -2.474 -3.273 1.00 0.00 O ATOM 194 CB ARG A 13 10.937 -2.717 -0.162 1.00 0.00 C ATOM 195 CG ARG A 13 11.502 -4.024 0.394 1.00 0.00 C ATOM 196 CD ARG A 13 12.002 -3.803 1.826 1.00 0.00 C ATOM 197 NE ARG A 13 10.948 -2.982 2.484 1.00 0.00 N ATOM 198 CZ ARG A 13 11.280 -2.077 3.364 1.00 0.00 C ATOM 199 NH1 ARG A 13 11.747 -2.440 4.528 1.00 0.00 N ATOM 200 NH2 ARG A 13 11.146 -0.810 3.081 1.00 0.00 N ATOM 0 H ARG A 13 10.614 -0.561 -1.931 1.00 0.00 H new ATOM 0 HA ARG A 13 12.708 -2.671 -1.435 1.00 0.00 H new ATOM 0 HB2 ARG A 13 11.054 -1.918 0.570 1.00 0.00 H new ATOM 0 HB3 ARG A 13 9.869 -2.822 -0.351 1.00 0.00 H new ATOM 0 HG2 ARG A 13 10.734 -4.798 0.382 1.00 0.00 H new ATOM 0 HG3 ARG A 13 12.319 -4.376 -0.236 1.00 0.00 H new ATOM 0 HD2 ARG A 13 12.144 -4.751 2.345 1.00 0.00 H new ATOM 0 HD3 ARG A 13 12.963 -3.289 1.833 1.00 0.00 H new ATOM 0 HE ARG A 13 9.967 -3.127 2.247 1.00 0.00 H new ATOM 0 HH11 ARG A 13 11.852 -3.430 4.749 1.00 0.00 H new ATOM 0 HH12 ARG A 13 12.007 -1.733 5.216 1.00 0.00 H new ATOM 0 HH21 ARG A 13 10.782 -0.526 2.172 1.00 0.00 H new ATOM 0 HH22 ARG A 13 11.406 -0.103 3.769 1.00 0.00 H new ATOM 214 N GLU A 14 11.371 -4.237 -2.968 1.00 0.00 N ATOM 215 CA GLU A 14 10.723 -4.926 -4.120 1.00 0.00 C ATOM 216 C GLU A 14 10.286 -6.339 -3.726 1.00 0.00 C ATOM 217 O GLU A 14 11.081 -7.140 -3.275 1.00 0.00 O ATOM 218 CB GLU A 14 11.794 -4.976 -5.210 1.00 0.00 C ATOM 219 CG GLU A 14 12.309 -3.563 -5.485 1.00 0.00 C ATOM 220 CD GLU A 14 12.902 -3.500 -6.894 1.00 0.00 C ATOM 221 OE1 GLU A 14 12.471 -4.277 -7.731 1.00 0.00 O ATOM 222 OE2 GLU A 14 13.776 -2.678 -7.112 1.00 0.00 O ATOM 0 H GLU A 14 12.099 -4.769 -2.490 1.00 0.00 H new ATOM 0 HA GLU A 14 9.826 -4.405 -4.455 1.00 0.00 H new ATOM 0 HB2 GLU A 14 12.616 -5.620 -4.897 1.00 0.00 H new ATOM 0 HB3 GLU A 14 11.380 -5.407 -6.121 1.00 0.00 H new ATOM 0 HG2 GLU A 14 11.496 -2.843 -5.389 1.00 0.00 H new ATOM 0 HG3 GLU A 14 13.065 -3.290 -4.748 1.00 0.00 H new ATOM 229 N LEU A 15 9.030 -6.654 -3.895 1.00 0.00 N ATOM 230 CA LEU A 15 8.557 -8.020 -3.532 1.00 0.00 C ATOM 231 C LEU A 15 8.024 -8.752 -4.755 1.00 0.00 C ATOM 232 O LEU A 15 7.492 -8.159 -5.673 1.00 0.00 O ATOM 233 CB LEU A 15 7.400 -7.821 -2.550 1.00 0.00 C ATOM 234 CG LEU A 15 7.911 -7.660 -1.116 1.00 0.00 C ATOM 235 CD1 LEU A 15 6.735 -7.650 -0.155 1.00 0.00 C ATOM 236 CD2 LEU A 15 8.757 -8.821 -0.715 1.00 0.00 C ATOM 0 H LEU A 15 8.315 -6.028 -4.266 1.00 0.00 H new ATOM 0 HA LEU A 15 9.374 -8.606 -3.112 1.00 0.00 H new ATOM 0 HB2 LEU A 15 6.825 -6.940 -2.835 1.00 0.00 H new ATOM 0 HB3 LEU A 15 6.723 -8.674 -2.604 1.00 0.00 H new ATOM 0 HG LEU A 15 8.483 -6.733 -1.079 1.00 0.00 H new ATOM 0 HD11 LEU A 15 7.100 -7.535 0.866 1.00 0.00 H new ATOM 0 HD12 LEU A 15 6.073 -6.819 -0.399 1.00 0.00 H new ATOM 0 HD13 LEU A 15 6.187 -8.588 -0.241 1.00 0.00 H new ATOM 0 HD21 LEU A 15 9.107 -8.680 0.308 1.00 0.00 H new ATOM 0 HD22 LEU A 15 8.170 -9.737 -0.775 1.00 0.00 H new ATOM 0 HD23 LEU A 15 9.614 -8.895 -1.384 1.00 0.00 H new ATOM 248 N ASP A 16 8.116 -10.045 -4.742 1.00 0.00 N ATOM 249 CA ASP A 16 7.566 -10.840 -5.863 1.00 0.00 C ATOM 250 C ASP A 16 6.258 -11.454 -5.376 1.00 0.00 C ATOM 251 O ASP A 16 6.238 -12.519 -4.791 1.00 0.00 O ATOM 252 CB ASP A 16 8.609 -11.919 -6.156 1.00 0.00 C ATOM 253 CG ASP A 16 9.704 -11.342 -7.054 1.00 0.00 C ATOM 254 OD1 ASP A 16 10.124 -10.224 -6.799 1.00 0.00 O ATOM 255 OD2 ASP A 16 10.104 -12.026 -7.982 1.00 0.00 O ATOM 0 H ASP A 16 8.552 -10.589 -3.998 1.00 0.00 H new ATOM 0 HA ASP A 16 7.367 -10.259 -6.763 1.00 0.00 H new ATOM 0 HB2 ASP A 16 9.043 -12.283 -5.224 1.00 0.00 H new ATOM 0 HB3 ASP A 16 8.137 -12.773 -6.643 1.00 0.00 H new ATOM 260 N VAL A 17 5.169 -10.769 -5.572 1.00 0.00 N ATOM 261 CA VAL A 17 3.868 -11.288 -5.076 1.00 0.00 C ATOM 262 C VAL A 17 3.098 -11.971 -6.204 1.00 0.00 C ATOM 263 O VAL A 17 3.404 -11.808 -7.368 1.00 0.00 O ATOM 264 CB VAL A 17 3.127 -10.042 -4.580 1.00 0.00 C ATOM 265 CG1 VAL A 17 1.658 -10.381 -4.330 1.00 0.00 C ATOM 266 CG2 VAL A 17 3.764 -9.562 -3.275 1.00 0.00 C ATOM 0 H VAL A 17 5.124 -9.872 -6.055 1.00 0.00 H new ATOM 0 HA VAL A 17 3.986 -12.036 -4.292 1.00 0.00 H new ATOM 0 HB VAL A 17 3.194 -9.258 -5.334 1.00 0.00 H new ATOM 0 HG11 VAL A 17 1.134 -9.492 -3.977 1.00 0.00 H new ATOM 0 HG12 VAL A 17 1.202 -10.727 -5.257 1.00 0.00 H new ATOM 0 HG13 VAL A 17 1.589 -11.166 -3.577 1.00 0.00 H new ATOM 0 HG21 VAL A 17 3.240 -8.675 -2.919 1.00 0.00 H new ATOM 0 HG22 VAL A 17 3.695 -10.350 -2.525 1.00 0.00 H new ATOM 0 HG23 VAL A 17 4.812 -9.318 -3.450 1.00 0.00 H new ATOM 276 N ALA A 18 2.109 -12.751 -5.865 1.00 0.00 N ATOM 277 CA ALA A 18 1.327 -13.462 -6.920 1.00 0.00 C ATOM 278 C ALA A 18 -0.110 -12.934 -6.985 1.00 0.00 C ATOM 279 O ALA A 18 -0.348 -11.744 -6.943 1.00 0.00 O ATOM 280 CB ALA A 18 1.342 -14.933 -6.507 1.00 0.00 C ATOM 0 H ALA A 18 1.808 -12.928 -4.907 1.00 0.00 H new ATOM 0 HA ALA A 18 1.756 -13.311 -7.911 1.00 0.00 H new ATOM 0 HB1 ALA A 18 0.785 -15.521 -7.236 1.00 0.00 H new ATOM 0 HB2 ALA A 18 2.372 -15.288 -6.464 1.00 0.00 H new ATOM 0 HB3 ALA A 18 0.880 -15.040 -5.526 1.00 0.00 H new ATOM 286 N ASP A 19 -1.069 -13.815 -7.103 1.00 0.00 N ATOM 287 CA ASP A 19 -2.483 -13.379 -7.188 1.00 0.00 C ATOM 288 C ASP A 19 -3.228 -13.721 -5.895 1.00 0.00 C ATOM 289 O ASP A 19 -3.265 -14.857 -5.467 1.00 0.00 O ATOM 290 CB ASP A 19 -3.045 -14.167 -8.376 1.00 0.00 C ATOM 291 CG ASP A 19 -3.452 -15.575 -7.932 1.00 0.00 C ATOM 292 OD1 ASP A 19 -4.525 -15.709 -7.367 1.00 0.00 O ATOM 293 OD2 ASP A 19 -2.684 -16.494 -8.165 1.00 0.00 O ATOM 0 H ASP A 19 -0.926 -14.824 -7.144 1.00 0.00 H new ATOM 0 HA ASP A 19 -2.588 -12.302 -7.320 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -3.907 -13.646 -8.792 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -2.297 -14.229 -9.167 1.00 0.00 H new ATOM 298 N GLY A 20 -3.824 -12.745 -5.277 1.00 0.00 N ATOM 299 CA GLY A 20 -4.573 -13.006 -4.016 1.00 0.00 C ATOM 300 C GLY A 20 -3.834 -12.382 -2.831 1.00 0.00 C ATOM 301 O GLY A 20 -4.333 -12.360 -1.723 1.00 0.00 O ATOM 0 H GLY A 20 -3.826 -11.774 -5.590 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -5.578 -12.591 -4.088 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -4.682 -14.080 -3.863 1.00 0.00 H new ATOM 305 N VAL A 21 -2.653 -11.871 -3.047 1.00 0.00 N ATOM 306 CA VAL A 21 -1.903 -11.251 -1.917 1.00 0.00 C ATOM 307 C VAL A 21 -2.124 -9.741 -1.892 1.00 0.00 C ATOM 308 O VAL A 21 -2.612 -9.145 -2.831 1.00 0.00 O ATOM 309 CB VAL A 21 -0.427 -11.534 -2.183 1.00 0.00 C ATOM 310 CG1 VAL A 21 0.435 -10.821 -1.139 1.00 0.00 C ATOM 311 CG2 VAL A 21 -0.153 -13.036 -2.116 1.00 0.00 C ATOM 0 H VAL A 21 -2.177 -11.855 -3.949 1.00 0.00 H new ATOM 0 HA VAL A 21 -2.236 -11.656 -0.961 1.00 0.00 H new ATOM 0 HB VAL A 21 -0.179 -11.167 -3.179 1.00 0.00 H new ATOM 0 HG11 VAL A 21 1.487 -11.027 -1.334 1.00 0.00 H new ATOM 0 HG12 VAL A 21 0.259 -9.747 -1.194 1.00 0.00 H new ATOM 0 HG13 VAL A 21 0.173 -11.181 -0.144 1.00 0.00 H new ATOM 0 HG21 VAL A 21 0.904 -13.222 -2.308 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -0.413 -13.410 -1.126 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -0.754 -13.549 -2.867 1.00 0.00 H new ATOM 321 N SER A 22 -1.724 -9.132 -0.824 1.00 0.00 N ATOM 322 CA SER A 22 -1.843 -7.655 -0.686 1.00 0.00 C ATOM 323 C SER A 22 -0.449 -7.083 -0.448 1.00 0.00 C ATOM 324 O SER A 22 0.450 -7.789 -0.036 1.00 0.00 O ATOM 325 CB SER A 22 -2.738 -7.414 0.538 1.00 0.00 C ATOM 326 OG SER A 22 -3.127 -8.665 1.091 1.00 0.00 O ATOM 0 H SER A 22 -1.309 -9.601 -0.019 1.00 0.00 H new ATOM 0 HA SER A 22 -2.266 -7.181 -1.572 1.00 0.00 H new ATOM 0 HB2 SER A 22 -2.203 -6.825 1.283 1.00 0.00 H new ATOM 0 HB3 SER A 22 -3.619 -6.841 0.251 1.00 0.00 H new ATOM 0 HG SER A 22 -3.697 -8.514 1.874 1.00 0.00 H new ATOM 332 N LEU A 23 -0.246 -5.821 -0.684 1.00 0.00 N ATOM 333 CA LEU A 23 1.108 -5.262 -0.438 1.00 0.00 C ATOM 334 C LEU A 23 1.493 -5.499 1.019 1.00 0.00 C ATOM 335 O LEU A 23 2.635 -5.759 1.326 1.00 0.00 O ATOM 336 CB LEU A 23 1.005 -3.759 -0.739 1.00 0.00 C ATOM 337 CG LEU A 23 0.454 -3.555 -2.152 1.00 0.00 C ATOM 338 CD1 LEU A 23 0.652 -2.097 -2.570 1.00 0.00 C ATOM 339 CD2 LEU A 23 1.200 -4.468 -3.128 1.00 0.00 C ATOM 0 H LEU A 23 -0.944 -5.162 -1.030 1.00 0.00 H new ATOM 0 HA LEU A 23 1.870 -5.731 -1.061 1.00 0.00 H new ATOM 0 HB2 LEU A 23 0.354 -3.276 -0.011 1.00 0.00 H new ATOM 0 HB3 LEU A 23 1.986 -3.292 -0.649 1.00 0.00 H new ATOM 0 HG LEU A 23 -0.608 -3.798 -2.166 1.00 0.00 H new ATOM 0 HD11 LEU A 23 0.260 -1.951 -3.576 1.00 0.00 H new ATOM 0 HD12 LEU A 23 0.123 -1.444 -1.876 1.00 0.00 H new ATOM 0 HD13 LEU A 23 1.715 -1.856 -2.556 1.00 0.00 H new ATOM 0 HD21 LEU A 23 0.808 -4.323 -4.134 1.00 0.00 H new ATOM 0 HD22 LEU A 23 2.262 -4.225 -3.114 1.00 0.00 H new ATOM 0 HD23 LEU A 23 1.062 -5.508 -2.831 1.00 0.00 H new ATOM 351 N MET A 24 0.552 -5.421 1.924 1.00 0.00 N ATOM 352 CA MET A 24 0.896 -5.650 3.354 1.00 0.00 C ATOM 353 C MET A 24 1.011 -7.127 3.657 1.00 0.00 C ATOM 354 O MET A 24 1.153 -7.516 4.787 1.00 0.00 O ATOM 355 CB MET A 24 -0.226 -5.035 4.175 1.00 0.00 C ATOM 356 CG MET A 24 0.307 -4.672 5.564 1.00 0.00 C ATOM 357 SD MET A 24 -0.986 -4.951 6.793 1.00 0.00 S ATOM 358 CE MET A 24 -0.871 -6.752 6.791 1.00 0.00 C ATOM 0 H MET A 24 -0.428 -5.211 1.736 1.00 0.00 H new ATOM 0 HA MET A 24 1.859 -5.199 3.592 1.00 0.00 H new ATOM 0 HB2 MET A 24 -0.612 -4.146 3.677 1.00 0.00 H new ATOM 0 HB3 MET A 24 -1.055 -5.737 4.263 1.00 0.00 H new ATOM 0 HG2 MET A 24 1.184 -5.276 5.799 1.00 0.00 H new ATOM 0 HG3 MET A 24 0.624 -3.629 5.583 1.00 0.00 H new ATOM 0 HE1 MET A 24 -1.790 -7.176 7.196 1.00 0.00 H new ATOM 0 HE2 MET A 24 -0.727 -7.106 5.770 1.00 0.00 H new ATOM 0 HE3 MET A 24 -0.027 -7.063 7.406 1.00 0.00 H new ATOM 368 N GLN A 25 0.950 -7.954 2.669 1.00 0.00 N ATOM 369 CA GLN A 25 1.074 -9.406 2.931 1.00 0.00 C ATOM 370 C GLN A 25 2.490 -9.877 2.558 1.00 0.00 C ATOM 371 O GLN A 25 3.295 -10.174 3.417 1.00 0.00 O ATOM 372 CB GLN A 25 0.006 -10.033 2.052 1.00 0.00 C ATOM 373 CG GLN A 25 0.096 -11.557 2.123 1.00 0.00 C ATOM 374 CD GLN A 25 -1.289 -12.177 1.885 1.00 0.00 C ATOM 375 OE1 GLN A 25 -1.475 -13.359 2.095 1.00 0.00 O ATOM 376 NE2 GLN A 25 -2.278 -11.434 1.452 1.00 0.00 N ATOM 0 H GLN A 25 0.820 -7.693 1.692 1.00 0.00 H new ATOM 0 HA GLN A 25 0.934 -9.680 3.977 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -0.982 -9.704 2.375 1.00 0.00 H new ATOM 0 HB3 GLN A 25 0.131 -9.701 1.021 1.00 0.00 H new ATOM 0 HG2 GLN A 25 0.801 -11.923 1.376 1.00 0.00 H new ATOM 0 HG3 GLN A 25 0.477 -11.862 3.097 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -2.129 -10.441 1.273 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -3.196 -11.849 1.294 1.00 0.00 H new ATOM 385 N ALA A 26 2.814 -9.932 1.285 1.00 0.00 N ATOM 386 CA ALA A 26 4.193 -10.366 0.898 1.00 0.00 C ATOM 387 C ALA A 26 5.198 -9.627 1.771 1.00 0.00 C ATOM 388 O ALA A 26 6.024 -10.214 2.442 1.00 0.00 O ATOM 389 CB ALA A 26 4.390 -9.939 -0.564 1.00 0.00 C ATOM 0 H ALA A 26 2.193 -9.699 0.510 1.00 0.00 H new ATOM 0 HA ALA A 26 4.329 -11.441 1.020 1.00 0.00 H new ATOM 0 HB1 ALA A 26 5.385 -10.233 -0.898 1.00 0.00 H new ATOM 0 HB2 ALA A 26 3.640 -10.423 -1.189 1.00 0.00 H new ATOM 0 HB3 ALA A 26 4.285 -8.857 -0.644 1.00 0.00 H new ATOM 395 N ALA A 27 5.118 -8.329 1.758 1.00 0.00 N ATOM 396 CA ALA A 27 6.046 -7.505 2.572 1.00 0.00 C ATOM 397 C ALA A 27 5.981 -7.987 4.016 1.00 0.00 C ATOM 398 O ALA A 27 6.974 -8.333 4.622 1.00 0.00 O ATOM 399 CB ALA A 27 5.482 -6.096 2.434 1.00 0.00 C ATOM 0 H ALA A 27 4.440 -7.798 1.211 1.00 0.00 H new ATOM 0 HA ALA A 27 7.090 -7.558 2.262 1.00 0.00 H new ATOM 0 HB1 ALA A 27 6.099 -5.400 3.003 1.00 0.00 H new ATOM 0 HB2 ALA A 27 5.482 -5.806 1.383 1.00 0.00 H new ATOM 0 HB3 ALA A 27 4.462 -6.073 2.817 1.00 0.00 H new ATOM 405 N VAL A 28 4.792 -8.044 4.538 1.00 0.00 N ATOM 406 CA VAL A 28 4.577 -8.543 5.922 1.00 0.00 C ATOM 407 C VAL A 28 5.530 -9.714 6.196 1.00 0.00 C ATOM 408 O VAL A 28 6.333 -9.679 7.107 1.00 0.00 O ATOM 409 CB VAL A 28 3.104 -8.978 5.876 1.00 0.00 C ATOM 410 CG1 VAL A 28 2.933 -10.475 6.186 1.00 0.00 C ATOM 411 CG2 VAL A 28 2.285 -8.185 6.885 1.00 0.00 C ATOM 0 H VAL A 28 3.941 -7.760 4.053 1.00 0.00 H new ATOM 0 HA VAL A 28 4.773 -7.822 6.716 1.00 0.00 H new ATOM 0 HB VAL A 28 2.753 -8.786 4.862 1.00 0.00 H new ATOM 0 HG11 VAL A 28 1.876 -10.737 6.142 1.00 0.00 H new ATOM 0 HG12 VAL A 28 3.484 -11.064 5.452 1.00 0.00 H new ATOM 0 HG13 VAL A 28 3.318 -10.686 7.184 1.00 0.00 H new ATOM 0 HG21 VAL A 28 1.244 -8.505 6.840 1.00 0.00 H new ATOM 0 HG22 VAL A 28 2.675 -8.359 7.888 1.00 0.00 H new ATOM 0 HG23 VAL A 28 2.349 -7.122 6.651 1.00 0.00 H new ATOM 421 N SER A 29 5.457 -10.736 5.392 1.00 0.00 N ATOM 422 CA SER A 29 6.367 -11.900 5.574 1.00 0.00 C ATOM 423 C SER A 29 7.803 -11.419 5.475 1.00 0.00 C ATOM 424 O SER A 29 8.646 -11.731 6.293 1.00 0.00 O ATOM 425 CB SER A 29 6.078 -12.817 4.402 1.00 0.00 C ATOM 426 OG SER A 29 5.051 -12.256 3.593 1.00 0.00 O ATOM 0 H SER A 29 4.803 -10.816 4.613 1.00 0.00 H new ATOM 0 HA SER A 29 6.223 -12.394 6.535 1.00 0.00 H new ATOM 0 HB2 SER A 29 6.982 -12.961 3.810 1.00 0.00 H new ATOM 0 HB3 SER A 29 5.773 -13.799 4.763 1.00 0.00 H new ATOM 0 HG SER A 29 5.454 -11.720 2.878 1.00 0.00 H new ATOM 432 N ASN A 30 8.069 -10.637 4.471 1.00 0.00 N ATOM 433 CA ASN A 30 9.430 -10.084 4.281 1.00 0.00 C ATOM 434 C ASN A 30 9.772 -9.156 5.449 1.00 0.00 C ATOM 435 O ASN A 30 10.866 -8.636 5.545 1.00 0.00 O ATOM 436 CB ASN A 30 9.323 -9.303 2.968 1.00 0.00 C ATOM 437 CG ASN A 30 9.835 -10.171 1.819 1.00 0.00 C ATOM 438 OD1 ASN A 30 11.027 -10.287 1.611 1.00 0.00 O ATOM 439 ND2 ASN A 30 8.974 -10.790 1.058 1.00 0.00 N ATOM 0 H ASN A 30 7.389 -10.355 3.765 1.00 0.00 H new ATOM 0 HA ASN A 30 10.212 -10.843 4.246 1.00 0.00 H new ATOM 0 HB2 ASN A 30 8.288 -9.014 2.787 1.00 0.00 H new ATOM 0 HB3 ASN A 30 9.904 -8.383 3.031 1.00 0.00 H new ATOM 0 HD21 ASN A 30 9.301 -11.372 0.287 1.00 0.00 H new ATOM 0 HD22 ASN A 30 7.974 -10.691 1.234 1.00 0.00 H new ATOM 446 N GLY A 31 8.834 -8.940 6.337 1.00 0.00 N ATOM 447 CA GLY A 31 9.095 -8.038 7.501 1.00 0.00 C ATOM 448 C GLY A 31 8.809 -6.599 7.092 1.00 0.00 C ATOM 449 O GLY A 31 8.671 -5.723 7.924 1.00 0.00 O ATOM 0 H GLY A 31 7.900 -9.349 6.307 1.00 0.00 H new ATOM 0 HA2 GLY A 31 8.465 -8.321 8.344 1.00 0.00 H new ATOM 0 HA3 GLY A 31 10.130 -8.137 7.828 1.00 0.00 H new ATOM 453 N ILE A 32 8.701 -6.351 5.819 1.00 0.00 N ATOM 454 CA ILE A 32 8.399 -4.976 5.354 1.00 0.00 C ATOM 455 C ILE A 32 7.286 -4.395 6.238 1.00 0.00 C ATOM 456 O ILE A 32 7.314 -3.235 6.601 1.00 0.00 O ATOM 457 CB ILE A 32 7.969 -5.174 3.903 1.00 0.00 C ATOM 458 CG1 ILE A 32 9.199 -5.509 3.057 1.00 0.00 C ATOM 459 CG2 ILE A 32 7.309 -3.907 3.350 1.00 0.00 C ATOM 460 CD1 ILE A 32 8.827 -5.458 1.574 1.00 0.00 C ATOM 0 H ILE A 32 8.810 -7.045 5.080 1.00 0.00 H new ATOM 0 HA ILE A 32 9.230 -4.273 5.417 1.00 0.00 H new ATOM 0 HB ILE A 32 7.246 -5.989 3.862 1.00 0.00 H new ATOM 0 HG12 ILE A 32 10.001 -4.801 3.266 1.00 0.00 H new ATOM 0 HG13 ILE A 32 9.573 -6.500 3.315 1.00 0.00 H new ATOM 0 HG21 ILE A 32 7.012 -4.074 2.315 1.00 0.00 H new ATOM 0 HG22 ILE A 32 6.429 -3.665 3.946 1.00 0.00 H new ATOM 0 HG23 ILE A 32 8.016 -3.079 3.395 1.00 0.00 H new ATOM 0 HD11 ILE A 32 9.703 -5.697 0.971 1.00 0.00 H new ATOM 0 HD12 ILE A 32 8.039 -6.183 1.372 1.00 0.00 H new ATOM 0 HD13 ILE A 32 8.474 -4.458 1.322 1.00 0.00 H new ATOM 472 N TYR A 33 6.326 -5.204 6.622 1.00 0.00 N ATOM 473 CA TYR A 33 5.243 -4.695 7.525 1.00 0.00 C ATOM 474 C TYR A 33 5.293 -5.379 8.885 1.00 0.00 C ATOM 475 O TYR A 33 4.473 -6.226 9.181 1.00 0.00 O ATOM 476 CB TYR A 33 3.912 -5.050 6.877 1.00 0.00 C ATOM 477 CG TYR A 33 3.695 -4.196 5.675 1.00 0.00 C ATOM 478 CD1 TYR A 33 3.284 -2.862 5.799 1.00 0.00 C ATOM 479 CD2 TYR A 33 3.902 -4.754 4.431 1.00 0.00 C ATOM 480 CE1 TYR A 33 3.080 -2.089 4.646 1.00 0.00 C ATOM 481 CE2 TYR A 33 3.704 -3.999 3.284 1.00 0.00 C ATOM 482 CZ TYR A 33 3.291 -2.662 3.381 1.00 0.00 C ATOM 483 OH TYR A 33 3.094 -1.912 2.240 1.00 0.00 O ATOM 0 H TYR A 33 6.245 -6.185 6.353 1.00 0.00 H new ATOM 0 HA TYR A 33 5.368 -3.622 7.667 1.00 0.00 H new ATOM 0 HB2 TYR A 33 3.904 -6.102 6.594 1.00 0.00 H new ATOM 0 HB3 TYR A 33 3.100 -4.905 7.589 1.00 0.00 H new ATOM 0 HD1 TYR A 33 3.125 -2.431 6.777 1.00 0.00 H new ATOM 0 HD2 TYR A 33 4.220 -5.783 4.349 1.00 0.00 H new ATOM 0 HE1 TYR A 33 2.763 -1.060 4.731 1.00 0.00 H new ATOM 0 HE2 TYR A 33 3.868 -4.442 2.313 1.00 0.00 H new ATOM 0 HH TYR A 33 3.285 -2.461 1.451 1.00 0.00 H new ATOM 559 N CYS A 39 -4.159 -5.738 10.525 1.00 0.00 N ATOM 560 CA CYS A 39 -5.134 -5.895 9.394 1.00 0.00 C ATOM 561 C CYS A 39 -5.236 -7.363 8.987 1.00 0.00 C ATOM 562 O CYS A 39 -6.302 -7.947 9.004 1.00 0.00 O ATOM 563 CB CYS A 39 -4.618 -5.054 8.209 1.00 0.00 C ATOM 564 SG CYS A 39 -2.806 -5.008 8.172 1.00 0.00 S ATOM 0 HA CYS A 39 -6.125 -5.558 9.698 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -4.992 -5.471 7.274 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -5.008 -4.039 8.284 1.00 0.00 H new ATOM 569 N GLY A 40 -4.140 -7.967 8.611 1.00 0.00 N ATOM 570 CA GLY A 40 -4.191 -9.394 8.191 1.00 0.00 C ATOM 571 C GLY A 40 -5.386 -9.583 7.260 1.00 0.00 C ATOM 572 O GLY A 40 -6.164 -10.505 7.403 1.00 0.00 O ATOM 0 H GLY A 40 -3.217 -7.535 8.577 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -3.268 -9.673 7.683 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -4.284 -10.042 9.062 1.00 0.00 H new ATOM 576 N GLY A 41 -5.545 -8.699 6.312 1.00 0.00 N ATOM 577 CA GLY A 41 -6.697 -8.805 5.378 1.00 0.00 C ATOM 578 C GLY A 41 -7.944 -8.242 6.061 1.00 0.00 C ATOM 579 O GLY A 41 -9.053 -8.662 5.795 1.00 0.00 O ATOM 0 H GLY A 41 -4.924 -7.907 6.146 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -6.490 -8.255 4.460 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -6.859 -9.845 5.096 1.00 0.00 H new ATOM 583 N SER A 42 -7.771 -7.295 6.945 1.00 0.00 N ATOM 584 CA SER A 42 -8.947 -6.708 7.649 1.00 0.00 C ATOM 585 C SER A 42 -9.096 -5.226 7.303 1.00 0.00 C ATOM 586 O SER A 42 -10.190 -4.732 7.111 1.00 0.00 O ATOM 587 CB SER A 42 -8.656 -6.889 9.137 1.00 0.00 C ATOM 588 OG SER A 42 -8.589 -8.276 9.438 1.00 0.00 O ATOM 0 H SER A 42 -6.867 -6.903 7.209 1.00 0.00 H new ATOM 0 HA SER A 42 -9.879 -7.191 7.357 1.00 0.00 H new ATOM 0 HB2 SER A 42 -7.716 -6.403 9.397 1.00 0.00 H new ATOM 0 HB3 SER A 42 -9.436 -6.413 9.732 1.00 0.00 H new ATOM 0 HG SER A 42 -7.730 -8.636 9.134 1.00 0.00 H new ATOM 594 N ALA A 43 -8.004 -4.517 7.210 1.00 0.00 N ATOM 595 CA ALA A 43 -8.070 -3.065 6.862 1.00 0.00 C ATOM 596 C ALA A 43 -8.604 -2.230 8.025 1.00 0.00 C ATOM 597 O ALA A 43 -9.590 -1.531 7.900 1.00 0.00 O ATOM 598 CB ALA A 43 -9.021 -2.973 5.679 1.00 0.00 C ATOM 0 H ALA A 43 -7.063 -4.881 7.361 1.00 0.00 H new ATOM 0 HA ALA A 43 -7.078 -2.676 6.632 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -9.117 -1.932 5.370 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -8.629 -3.563 4.851 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -9.999 -3.358 5.968 1.00 0.00 H new ATOM 604 N SER A 44 -7.946 -2.269 9.140 1.00 0.00 N ATOM 605 CA SER A 44 -8.393 -1.446 10.302 1.00 0.00 C ATOM 606 C SER A 44 -7.202 -0.685 10.902 1.00 0.00 C ATOM 607 O SER A 44 -7.284 -0.152 11.991 1.00 0.00 O ATOM 608 CB SER A 44 -8.948 -2.454 11.309 1.00 0.00 C ATOM 609 OG SER A 44 -10.153 -3.011 10.800 1.00 0.00 O ATOM 0 H SER A 44 -7.114 -2.835 9.304 1.00 0.00 H new ATOM 0 HA SER A 44 -9.136 -0.700 10.020 1.00 0.00 H new ATOM 0 HB2 SER A 44 -8.218 -3.243 11.492 1.00 0.00 H new ATOM 0 HB3 SER A 44 -9.135 -1.965 12.265 1.00 0.00 H new ATOM 0 HG SER A 44 -10.511 -3.659 11.442 1.00 0.00 H new ATOM 615 N CYS A 45 -6.080 -0.667 10.223 1.00 0.00 N ATOM 616 CA CYS A 45 -4.878 0.025 10.801 1.00 0.00 C ATOM 617 C CYS A 45 -4.435 1.279 10.044 1.00 0.00 C ATOM 618 O CYS A 45 -4.049 1.233 8.905 1.00 0.00 O ATOM 619 CB CYS A 45 -3.719 -0.991 10.829 1.00 0.00 C ATOM 620 SG CYS A 45 -4.235 -2.590 10.156 1.00 0.00 S ATOM 0 H CYS A 45 -5.942 -1.094 9.307 1.00 0.00 H new ATOM 0 HA CYS A 45 -5.157 0.372 11.796 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -2.879 -0.604 10.252 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -3.370 -1.120 11.853 1.00 0.00 H new ATOM 0 HG CYS A 45 -3.269 -3.095 9.447 1.00 0.00 H new ATOM 625 N ALA A 46 -4.416 2.399 10.700 1.00 0.00 N ATOM 626 CA ALA A 46 -3.935 3.630 10.022 1.00 0.00 C ATOM 627 C ALA A 46 -2.404 3.612 9.951 1.00 0.00 C ATOM 628 O ALA A 46 -1.785 4.516 9.428 1.00 0.00 O ATOM 629 CB ALA A 46 -4.420 4.784 10.900 1.00 0.00 C ATOM 0 H ALA A 46 -4.710 2.517 11.670 1.00 0.00 H new ATOM 0 HA ALA A 46 -4.306 3.719 9.001 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -4.103 5.731 10.464 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -5.508 4.760 10.964 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -3.996 4.684 11.899 1.00 0.00 H new ATOM 635 N THR A 47 -1.788 2.589 10.481 1.00 0.00 N ATOM 636 CA THR A 47 -0.298 2.515 10.457 1.00 0.00 C ATOM 637 C THR A 47 0.207 1.948 9.126 1.00 0.00 C ATOM 638 O THR A 47 1.347 2.150 8.754 1.00 0.00 O ATOM 639 CB THR A 47 0.068 1.578 11.609 1.00 0.00 C ATOM 640 OG1 THR A 47 -0.912 0.554 11.712 1.00 0.00 O ATOM 641 CG2 THR A 47 0.122 2.370 12.917 1.00 0.00 C ATOM 0 H THR A 47 -2.253 1.800 10.930 1.00 0.00 H new ATOM 0 HA THR A 47 0.156 3.500 10.562 1.00 0.00 H new ATOM 0 HB THR A 47 1.044 1.131 11.419 1.00 0.00 H new ATOM 0 HG1 THR A 47 -0.679 -0.049 12.449 1.00 0.00 H new ATOM 0 HG21 THR A 47 0.383 1.701 13.737 1.00 0.00 H new ATOM 0 HG22 THR A 47 0.874 3.155 12.836 1.00 0.00 H new ATOM 0 HG23 THR A 47 -0.852 2.819 13.111 1.00 0.00 H new ATOM 649 N CYS A 48 -0.617 1.238 8.403 1.00 0.00 N ATOM 650 CA CYS A 48 -0.147 0.670 7.101 1.00 0.00 C ATOM 651 C CYS A 48 -0.601 1.564 5.942 1.00 0.00 C ATOM 652 O CYS A 48 -0.575 1.166 4.799 1.00 0.00 O ATOM 653 CB CYS A 48 -0.732 -0.756 6.968 1.00 0.00 C ATOM 654 SG CYS A 48 -1.322 -1.402 8.544 1.00 0.00 S ATOM 0 H CYS A 48 -1.584 1.027 8.651 1.00 0.00 H new ATOM 0 HA CYS A 48 0.942 0.625 7.070 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -1.554 -0.744 6.252 1.00 0.00 H new ATOM 0 HB3 CYS A 48 0.031 -1.423 6.567 1.00 0.00 H new ATOM 0 HG CYS A 48 -2.616 -1.522 8.507 1.00 0.00 H new ATOM 659 N HIS A 49 -0.993 2.780 6.214 1.00 0.00 N ATOM 660 CA HIS A 49 -1.408 3.677 5.095 1.00 0.00 C ATOM 661 C HIS A 49 -0.361 3.565 3.984 1.00 0.00 C ATOM 662 O HIS A 49 0.824 3.599 4.248 1.00 0.00 O ATOM 663 CB HIS A 49 -1.417 5.091 5.696 1.00 0.00 C ATOM 664 CG HIS A 49 -2.037 6.068 4.723 1.00 0.00 C ATOM 665 ND1 HIS A 49 -2.540 7.298 5.126 1.00 0.00 N ATOM 666 CD2 HIS A 49 -2.237 6.018 3.365 1.00 0.00 C ATOM 667 CE1 HIS A 49 -3.010 7.924 4.033 1.00 0.00 C ATOM 668 NE2 HIS A 49 -2.848 7.189 2.934 1.00 0.00 N ATOM 0 H HIS A 49 -1.044 3.187 7.148 1.00 0.00 H new ATOM 0 HA HIS A 49 -2.381 3.426 4.673 1.00 0.00 H new ATOM 0 HB2 HIS A 49 -1.977 5.093 6.631 1.00 0.00 H new ATOM 0 HB3 HIS A 49 -0.399 5.400 5.933 1.00 0.00 H new ATOM 0 HD1 HIS A 49 -2.551 7.661 6.079 1.00 0.00 H new ATOM 0 HD2 HIS A 49 -1.960 5.191 2.727 1.00 0.00 H new ATOM 0 HE1 HIS A 49 -3.464 8.904 4.045 1.00 0.00 H new ATOM 676 N VAL A 50 -0.767 3.428 2.750 1.00 0.00 N ATOM 677 CA VAL A 50 0.236 3.319 1.662 1.00 0.00 C ATOM 678 C VAL A 50 -0.203 4.137 0.469 1.00 0.00 C ATOM 679 O VAL A 50 -1.368 4.411 0.270 1.00 0.00 O ATOM 680 CB VAL A 50 0.312 1.850 1.277 1.00 0.00 C ATOM 681 CG1 VAL A 50 0.929 1.066 2.421 1.00 0.00 C ATOM 682 CG2 VAL A 50 -1.089 1.327 0.977 1.00 0.00 C ATOM 0 H VAL A 50 -1.742 3.388 2.454 1.00 0.00 H new ATOM 0 HA VAL A 50 1.207 3.691 1.989 1.00 0.00 H new ATOM 0 HB VAL A 50 0.930 1.733 0.387 1.00 0.00 H new ATOM 0 HG11 VAL A 50 0.986 0.012 2.150 1.00 0.00 H new ATOM 0 HG12 VAL A 50 1.931 1.444 2.622 1.00 0.00 H new ATOM 0 HG13 VAL A 50 0.313 1.179 3.313 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -1.033 0.274 0.701 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -1.716 1.437 1.862 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -1.521 1.895 0.153 1.00 0.00 H new ATOM 692 N TYR A 51 0.741 4.514 -0.318 1.00 0.00 N ATOM 693 CA TYR A 51 0.451 5.325 -1.522 1.00 0.00 C ATOM 694 C TYR A 51 0.871 4.556 -2.770 1.00 0.00 C ATOM 695 O TYR A 51 2.030 4.260 -2.976 1.00 0.00 O ATOM 696 CB TYR A 51 1.306 6.576 -1.336 1.00 0.00 C ATOM 697 CG TYR A 51 0.540 7.646 -0.575 1.00 0.00 C ATOM 698 CD1 TYR A 51 -0.733 7.373 -0.041 1.00 0.00 C ATOM 699 CD2 TYR A 51 1.085 8.938 -0.450 1.00 0.00 C ATOM 700 CE1 TYR A 51 -1.446 8.379 0.618 1.00 0.00 C ATOM 701 CE2 TYR A 51 0.361 9.947 0.199 1.00 0.00 C ATOM 702 CZ TYR A 51 -0.902 9.666 0.735 1.00 0.00 C ATOM 703 OH TYR A 51 -1.618 10.658 1.372 1.00 0.00 O ATOM 0 H TYR A 51 1.727 4.292 -0.180 1.00 0.00 H new ATOM 0 HA TYR A 51 -0.606 5.563 -1.642 1.00 0.00 H new ATOM 0 HB2 TYR A 51 2.218 6.322 -0.796 1.00 0.00 H new ATOM 0 HB3 TYR A 51 1.609 6.962 -2.309 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -1.159 6.386 -0.140 1.00 0.00 H new ATOM 0 HD2 TYR A 51 2.063 9.152 -0.855 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -2.418 8.164 1.038 1.00 0.00 H new ATOM 0 HE2 TYR A 51 0.776 10.940 0.286 1.00 0.00 H new ATOM 0 HH TYR A 51 -1.118 10.971 2.155 1.00 0.00 H new ATOM 713 N VAL A 52 -0.065 4.232 -3.606 1.00 0.00 N ATOM 714 CA VAL A 52 0.287 3.483 -4.852 1.00 0.00 C ATOM 715 C VAL A 52 0.490 4.490 -5.999 1.00 0.00 C ATOM 716 O VAL A 52 0.110 5.639 -5.885 1.00 0.00 O ATOM 717 CB VAL A 52 -0.905 2.562 -5.140 1.00 0.00 C ATOM 718 CG1 VAL A 52 -0.570 1.608 -6.300 1.00 0.00 C ATOM 719 CG2 VAL A 52 -1.223 1.743 -3.889 1.00 0.00 C ATOM 0 H VAL A 52 -1.055 4.448 -3.490 1.00 0.00 H new ATOM 0 HA VAL A 52 1.205 2.905 -4.748 1.00 0.00 H new ATOM 0 HB VAL A 52 -1.767 3.170 -5.416 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -1.424 0.959 -6.495 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -0.343 2.188 -7.194 1.00 0.00 H new ATOM 0 HG13 VAL A 52 0.294 1.000 -6.033 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -2.070 1.087 -4.089 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -0.355 1.142 -3.617 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -1.471 2.415 -3.067 1.00 0.00 H new ATOM 729 N ASN A 53 1.068 4.091 -7.108 1.00 0.00 N ATOM 730 CA ASN A 53 1.252 5.062 -8.230 1.00 0.00 C ATOM 731 C ASN A 53 -0.027 5.102 -9.070 1.00 0.00 C ATOM 732 O ASN A 53 -0.613 4.080 -9.364 1.00 0.00 O ATOM 733 CB ASN A 53 2.388 4.486 -9.065 1.00 0.00 C ATOM 734 CG ASN A 53 1.943 3.123 -9.529 1.00 0.00 C ATOM 735 OD1 ASN A 53 1.176 3.027 -10.462 1.00 0.00 O ATOM 736 ND2 ASN A 53 2.353 2.067 -8.891 1.00 0.00 N ATOM 0 H ASN A 53 1.415 3.148 -7.282 1.00 0.00 H new ATOM 0 HA ASN A 53 1.467 6.072 -7.880 1.00 0.00 H new ATOM 0 HB2 ASN A 53 2.607 5.131 -9.916 1.00 0.00 H new ATOM 0 HB3 ASN A 53 3.302 4.414 -8.476 1.00 0.00 H new ATOM 0 HD21 ASN A 53 2.029 1.142 -9.174 1.00 0.00 H new ATOM 0 HD22 ASN A 53 2.999 2.163 -8.107 1.00 0.00 H new ATOM 743 N GLU A 54 -0.461 6.264 -9.463 1.00 0.00 N ATOM 744 CA GLU A 54 -1.709 6.366 -10.281 1.00 0.00 C ATOM 745 C GLU A 54 -1.792 5.259 -11.349 1.00 0.00 C ATOM 746 O GLU A 54 -2.859 4.963 -11.849 1.00 0.00 O ATOM 747 CB GLU A 54 -1.622 7.738 -10.949 1.00 0.00 C ATOM 748 CG GLU A 54 -0.553 7.708 -12.044 1.00 0.00 C ATOM 749 CD GLU A 54 0.006 9.116 -12.253 1.00 0.00 C ATOM 750 OE1 GLU A 54 -0.788 10.030 -12.408 1.00 0.00 O ATOM 751 OE2 GLU A 54 1.217 9.257 -12.252 1.00 0.00 O ATOM 0 H GLU A 54 -0.007 7.153 -9.255 1.00 0.00 H new ATOM 0 HA GLU A 54 -2.598 6.248 -9.662 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -2.588 8.008 -11.377 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -1.377 8.500 -10.209 1.00 0.00 H new ATOM 0 HG2 GLU A 54 0.249 7.025 -11.765 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -0.981 7.334 -12.974 1.00 0.00 H new ATOM 758 N ALA A 55 -0.691 4.659 -11.723 1.00 0.00 N ATOM 759 CA ALA A 55 -0.747 3.599 -12.775 1.00 0.00 C ATOM 760 C ALA A 55 -1.310 2.280 -12.225 1.00 0.00 C ATOM 761 O ALA A 55 -2.204 1.696 -12.804 1.00 0.00 O ATOM 762 CB ALA A 55 0.704 3.412 -13.218 1.00 0.00 C ATOM 0 H ALA A 55 0.238 4.855 -11.349 1.00 0.00 H new ATOM 0 HA ALA A 55 -1.405 3.887 -13.595 1.00 0.00 H new ATOM 0 HB1 ALA A 55 0.752 2.647 -13.993 1.00 0.00 H new ATOM 0 HB2 ALA A 55 1.088 4.353 -13.613 1.00 0.00 H new ATOM 0 HB3 ALA A 55 1.308 3.103 -12.365 1.00 0.00 H new ATOM 768 N PHE A 56 -0.785 1.795 -11.133 1.00 0.00 N ATOM 769 CA PHE A 56 -1.281 0.499 -10.573 1.00 0.00 C ATOM 770 C PHE A 56 -2.511 0.717 -9.684 1.00 0.00 C ATOM 771 O PHE A 56 -3.121 -0.226 -9.219 1.00 0.00 O ATOM 772 CB PHE A 56 -0.102 -0.051 -9.771 1.00 0.00 C ATOM 773 CG PHE A 56 0.946 -0.568 -10.742 1.00 0.00 C ATOM 774 CD1 PHE A 56 1.844 0.340 -11.328 1.00 0.00 C ATOM 775 CD2 PHE A 56 1.038 -1.941 -11.073 1.00 0.00 C ATOM 776 CE1 PHE A 56 2.809 -0.107 -12.231 1.00 0.00 C ATOM 777 CE2 PHE A 56 2.007 -2.370 -11.974 1.00 0.00 C ATOM 778 CZ PHE A 56 2.889 -1.459 -12.558 1.00 0.00 C ATOM 0 H PHE A 56 -0.035 2.237 -10.603 1.00 0.00 H new ATOM 0 HA PHE A 56 -1.602 -0.193 -11.352 1.00 0.00 H new ATOM 0 HB2 PHE A 56 0.321 0.729 -9.138 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -0.434 -0.852 -9.111 1.00 0.00 H new ATOM 0 HD1 PHE A 56 1.787 1.389 -11.078 1.00 0.00 H new ATOM 0 HD2 PHE A 56 0.359 -2.653 -10.628 1.00 0.00 H new ATOM 0 HE1 PHE A 56 3.496 0.597 -12.678 1.00 0.00 H new ATOM 0 HE2 PHE A 56 2.078 -3.418 -12.224 1.00 0.00 H new ATOM 0 HZ PHE A 56 3.632 -1.802 -13.262 1.00 0.00 H new ATOM 788 N THR A 57 -2.893 1.945 -9.449 1.00 0.00 N ATOM 789 CA THR A 57 -4.095 2.194 -8.598 1.00 0.00 C ATOM 790 C THR A 57 -5.372 2.005 -9.432 1.00 0.00 C ATOM 791 O THR A 57 -6.250 1.241 -9.083 1.00 0.00 O ATOM 792 CB THR A 57 -3.992 3.651 -8.136 1.00 0.00 C ATOM 793 OG1 THR A 57 -4.387 4.509 -9.197 1.00 0.00 O ATOM 794 CG2 THR A 57 -2.558 3.983 -7.723 1.00 0.00 C ATOM 0 H THR A 57 -2.429 2.780 -9.806 1.00 0.00 H new ATOM 0 HA THR A 57 -4.138 1.506 -7.754 1.00 0.00 H new ATOM 0 HB THR A 57 -4.647 3.794 -7.276 1.00 0.00 H new ATOM 0 HG1 THR A 57 -4.478 5.425 -8.861 1.00 0.00 H new ATOM 0 HG21 THR A 57 -2.504 5.022 -7.398 1.00 0.00 H new ATOM 0 HG22 THR A 57 -2.255 3.330 -6.904 1.00 0.00 H new ATOM 0 HG23 THR A 57 -1.891 3.834 -8.572 1.00 0.00 H new ATOM 802 N ASP A 58 -5.476 2.709 -10.534 1.00 0.00 N ATOM 803 CA ASP A 58 -6.691 2.596 -11.403 1.00 0.00 C ATOM 804 C ASP A 58 -6.858 1.163 -11.920 1.00 0.00 C ATOM 805 O ASP A 58 -7.889 0.795 -12.447 1.00 0.00 O ATOM 806 CB ASP A 58 -6.431 3.558 -12.564 1.00 0.00 C ATOM 807 CG ASP A 58 -5.402 2.945 -13.519 1.00 0.00 C ATOM 808 OD1 ASP A 58 -5.763 2.029 -14.238 1.00 0.00 O ATOM 809 OD2 ASP A 58 -4.271 3.404 -13.513 1.00 0.00 O ATOM 0 H ASP A 58 -4.767 3.361 -10.871 1.00 0.00 H new ATOM 0 HA ASP A 58 -7.606 2.838 -10.862 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -7.360 3.761 -13.096 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -6.066 4.512 -12.184 1.00 0.00 H new ATOM 814 N LYS A 59 -5.852 0.356 -11.763 1.00 0.00 N ATOM 815 CA LYS A 59 -5.930 -1.062 -12.231 1.00 0.00 C ATOM 816 C LYS A 59 -6.700 -1.875 -11.229 1.00 0.00 C ATOM 817 O LYS A 59 -7.641 -2.586 -11.518 1.00 0.00 O ATOM 818 CB LYS A 59 -4.494 -1.571 -12.158 1.00 0.00 C ATOM 819 CG LYS A 59 -3.538 -0.501 -12.690 1.00 0.00 C ATOM 820 CD LYS A 59 -2.313 -1.174 -13.312 1.00 0.00 C ATOM 821 CE LYS A 59 -2.656 -1.658 -14.723 1.00 0.00 C ATOM 822 NZ LYS A 59 -1.456 -2.416 -15.172 1.00 0.00 N ATOM 0 H LYS A 59 -4.967 0.615 -11.327 1.00 0.00 H new ATOM 0 HA LYS A 59 -6.391 -1.133 -13.216 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -4.239 -1.820 -11.128 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -4.392 -2.486 -12.742 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -4.043 0.116 -13.433 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -3.230 0.162 -11.881 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -1.480 -0.472 -13.350 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -1.995 -2.015 -12.695 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -3.544 -2.291 -14.718 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -2.865 -0.820 -15.388 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -1.502 -2.561 -16.201 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -0.598 -1.879 -14.936 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -1.429 -3.339 -14.693 1.00 0.00 H new ATOM 836 N VAL A 60 -6.220 -1.780 -10.048 1.00 0.00 N ATOM 837 CA VAL A 60 -6.763 -2.521 -8.913 1.00 0.00 C ATOM 838 C VAL A 60 -8.069 -1.878 -8.423 1.00 0.00 C ATOM 839 O VAL A 60 -8.301 -0.704 -8.633 1.00 0.00 O ATOM 840 CB VAL A 60 -5.598 -2.383 -7.936 1.00 0.00 C ATOM 841 CG1 VAL A 60 -5.816 -1.203 -7.003 1.00 0.00 C ATOM 842 CG2 VAL A 60 -5.406 -3.670 -7.169 1.00 0.00 C ATOM 0 H VAL A 60 -5.427 -1.184 -9.811 1.00 0.00 H new ATOM 0 HA VAL A 60 -7.053 -3.555 -9.098 1.00 0.00 H new ATOM 0 HB VAL A 60 -4.686 -2.189 -8.500 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -4.974 -1.123 -6.315 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -5.895 -0.287 -7.588 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -6.735 -1.352 -6.436 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -4.572 -3.559 -6.475 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -6.314 -3.900 -6.611 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -5.193 -4.481 -7.866 1.00 0.00 H new ATOM 852 N PRO A 61 -8.883 -2.682 -7.798 1.00 0.00 N ATOM 853 CA PRO A 61 -10.193 -2.205 -7.282 1.00 0.00 C ATOM 854 C PRO A 61 -10.023 -1.147 -6.209 1.00 0.00 C ATOM 855 O PRO A 61 -8.945 -0.900 -5.706 1.00 0.00 O ATOM 856 CB PRO A 61 -10.842 -3.467 -6.722 1.00 0.00 C ATOM 857 CG PRO A 61 -9.696 -4.382 -6.435 1.00 0.00 C ATOM 858 CD PRO A 61 -8.667 -4.101 -7.499 1.00 0.00 C ATOM 0 HA PRO A 61 -10.796 -1.727 -8.054 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -11.414 -3.252 -5.819 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -11.533 -3.910 -7.439 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -9.289 -4.199 -5.440 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -10.012 -5.425 -6.463 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -7.655 -4.289 -7.141 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -8.815 -4.726 -8.379 1.00 0.00 H new ATOM 866 N ALA A 62 -11.102 -0.512 -5.882 1.00 0.00 N ATOM 867 CA ALA A 62 -11.077 0.555 -4.867 1.00 0.00 C ATOM 868 C ALA A 62 -11.087 -0.041 -3.464 1.00 0.00 C ATOM 869 O ALA A 62 -10.925 -1.230 -3.276 1.00 0.00 O ATOM 870 CB ALA A 62 -12.357 1.329 -5.150 1.00 0.00 C ATOM 0 H ALA A 62 -12.020 -0.694 -6.287 1.00 0.00 H new ATOM 0 HA ALA A 62 -10.186 1.181 -4.914 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -12.445 2.157 -4.446 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -12.329 1.719 -6.168 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -13.215 0.666 -5.039 1.00 0.00 H new ATOM 876 N ALA A 63 -11.264 0.784 -2.479 1.00 0.00 N ATOM 877 CA ALA A 63 -11.273 0.283 -1.076 1.00 0.00 C ATOM 878 C ALA A 63 -12.674 0.376 -0.463 1.00 0.00 C ATOM 879 O ALA A 63 -13.507 1.147 -0.896 1.00 0.00 O ATOM 880 CB ALA A 63 -10.308 1.199 -0.331 1.00 0.00 C ATOM 0 H ALA A 63 -11.404 1.789 -2.581 1.00 0.00 H new ATOM 0 HA ALA A 63 -10.983 -0.766 -1.020 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -10.255 0.898 0.715 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -9.317 1.126 -0.780 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -10.661 2.228 -0.395 1.00 0.00 H new ATOM 886 N ASN A 64 -12.930 -0.406 0.550 1.00 0.00 N ATOM 887 CA ASN A 64 -14.273 -0.371 1.211 1.00 0.00 C ATOM 888 C ASN A 64 -14.380 0.823 2.170 1.00 0.00 C ATOM 889 O ASN A 64 -13.623 1.770 2.089 1.00 0.00 O ATOM 890 CB ASN A 64 -14.410 -1.693 1.985 1.00 0.00 C ATOM 891 CG ASN A 64 -13.099 -2.065 2.691 1.00 0.00 C ATOM 892 OD1 ASN A 64 -12.859 -3.223 2.969 1.00 0.00 O ATOM 893 ND2 ASN A 64 -12.233 -1.136 2.998 1.00 0.00 N ATOM 0 H ASN A 64 -12.268 -1.070 0.952 1.00 0.00 H new ATOM 0 HA ASN A 64 -15.067 -0.258 0.473 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -15.209 -1.605 2.721 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -14.695 -2.491 1.299 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -11.363 -1.385 3.468 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -12.427 -0.161 2.768 1.00 0.00 H new ATOM 900 N GLU A 65 -15.326 0.783 3.073 1.00 0.00 N ATOM 901 CA GLU A 65 -15.507 1.908 4.037 1.00 0.00 C ATOM 902 C GLU A 65 -14.503 1.820 5.192 1.00 0.00 C ATOM 903 O GLU A 65 -14.205 2.810 5.830 1.00 0.00 O ATOM 904 CB GLU A 65 -16.941 1.740 4.548 1.00 0.00 C ATOM 905 CG GLU A 65 -16.988 0.655 5.628 1.00 0.00 C ATOM 906 CD GLU A 65 -18.417 0.519 6.155 1.00 0.00 C ATOM 907 OE1 GLU A 65 -19.205 -0.151 5.507 1.00 0.00 O ATOM 908 OE2 GLU A 65 -18.701 1.089 7.196 1.00 0.00 O ATOM 0 H GLU A 65 -15.985 0.013 3.184 1.00 0.00 H new ATOM 0 HA GLU A 65 -15.338 2.879 3.572 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -17.304 2.684 4.953 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -17.601 1.472 3.723 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -16.649 -0.296 5.218 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -16.311 0.910 6.444 1.00 0.00 H new ATOM 915 N ARG A 66 -13.968 0.660 5.474 1.00 0.00 N ATOM 916 CA ARG A 66 -12.980 0.594 6.605 1.00 0.00 C ATOM 917 C ARG A 66 -11.710 1.317 6.183 1.00 0.00 C ATOM 918 O ARG A 66 -11.137 2.070 6.937 1.00 0.00 O ATOM 919 CB ARG A 66 -12.650 -0.882 6.924 1.00 0.00 C ATOM 920 CG ARG A 66 -13.331 -1.855 5.970 1.00 0.00 C ATOM 921 CD ARG A 66 -13.045 -3.288 6.420 1.00 0.00 C ATOM 922 NE ARG A 66 -13.568 -4.148 5.323 1.00 0.00 N ATOM 923 CZ ARG A 66 -13.067 -5.337 5.130 1.00 0.00 C ATOM 924 NH1 ARG A 66 -11.817 -5.470 4.780 1.00 0.00 N ATOM 925 NH2 ARG A 66 -13.816 -6.395 5.287 1.00 0.00 N ATOM 0 H ARG A 66 -14.160 -0.219 4.993 1.00 0.00 H new ATOM 0 HA ARG A 66 -13.402 1.064 7.493 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -11.571 -1.028 6.876 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -12.957 -1.106 7.946 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -14.406 -1.674 5.954 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -12.967 -1.701 4.954 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -11.978 -3.448 6.572 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -13.539 -3.511 7.366 1.00 0.00 H new ATOM 0 HE ARG A 66 -14.318 -3.807 4.722 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -11.231 -4.644 4.657 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -11.426 -6.400 4.629 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -14.793 -6.292 5.561 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -13.424 -7.324 5.136 1.00 0.00 H new ATOM 939 N GLU A 67 -11.287 1.100 4.964 1.00 0.00 N ATOM 940 CA GLU A 67 -10.059 1.759 4.447 1.00 0.00 C ATOM 941 C GLU A 67 -10.197 3.278 4.496 1.00 0.00 C ATOM 942 O GLU A 67 -9.265 3.995 4.232 1.00 0.00 O ATOM 943 CB GLU A 67 -9.966 1.284 3.001 1.00 0.00 C ATOM 944 CG GLU A 67 -9.073 2.228 2.197 1.00 0.00 C ATOM 945 CD GLU A 67 -9.938 3.283 1.510 1.00 0.00 C ATOM 946 OE1 GLU A 67 -11.099 2.999 1.265 1.00 0.00 O ATOM 947 OE2 GLU A 67 -9.427 4.358 1.240 1.00 0.00 O ATOM 0 H GLU A 67 -11.751 0.483 4.297 1.00 0.00 H new ATOM 0 HA GLU A 67 -9.175 1.510 5.034 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -9.563 0.272 2.967 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -10.961 1.246 2.558 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -8.348 2.708 2.854 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -8.507 1.666 1.454 1.00 0.00 H new ATOM 954 N ILE A 68 -11.344 3.780 4.811 1.00 0.00 N ATOM 955 CA ILE A 68 -11.507 5.250 4.858 1.00 0.00 C ATOM 956 C ILE A 68 -11.192 5.759 6.271 1.00 0.00 C ATOM 957 O ILE A 68 -10.984 6.935 6.485 1.00 0.00 O ATOM 958 CB ILE A 68 -12.972 5.453 4.446 1.00 0.00 C ATOM 959 CG1 ILE A 68 -13.023 5.998 3.015 1.00 0.00 C ATOM 960 CG2 ILE A 68 -13.697 6.421 5.384 1.00 0.00 C ATOM 961 CD1 ILE A 68 -12.087 5.180 2.117 1.00 0.00 C ATOM 0 H ILE A 68 -12.178 3.239 5.039 1.00 0.00 H new ATOM 0 HA ILE A 68 -10.835 5.807 4.205 1.00 0.00 H new ATOM 0 HB ILE A 68 -13.476 4.488 4.505 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -14.043 5.950 2.633 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -12.728 7.047 3.004 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -14.731 6.538 5.058 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -13.679 6.026 6.400 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -13.198 7.390 5.363 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -12.126 5.570 1.100 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -11.067 5.251 2.494 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -12.402 4.137 2.118 1.00 0.00 H new ATOM 973 N GLY A 69 -11.152 4.876 7.232 1.00 0.00 N ATOM 974 CA GLY A 69 -10.843 5.304 8.630 1.00 0.00 C ATOM 975 C GLY A 69 -9.333 5.233 8.893 1.00 0.00 C ATOM 976 O GLY A 69 -8.648 6.238 8.878 1.00 0.00 O ATOM 0 H GLY A 69 -11.320 3.877 7.111 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -11.199 6.321 8.792 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -11.372 4.665 9.337 1.00 0.00 H new ATOM 980 N MET A 70 -8.805 4.062 9.161 1.00 0.00 N ATOM 981 CA MET A 70 -7.331 3.972 9.452 1.00 0.00 C ATOM 982 C MET A 70 -6.547 4.722 8.381 1.00 0.00 C ATOM 983 O MET A 70 -5.537 5.338 8.651 1.00 0.00 O ATOM 984 CB MET A 70 -6.890 2.486 9.430 1.00 0.00 C ATOM 985 CG MET A 70 -8.001 1.529 9.001 1.00 0.00 C ATOM 986 SD MET A 70 -8.513 1.887 7.319 1.00 0.00 S ATOM 987 CE MET A 70 -8.136 0.249 6.665 1.00 0.00 C ATOM 0 H MET A 70 -9.315 3.179 9.192 1.00 0.00 H new ATOM 0 HA MET A 70 -7.137 4.410 10.431 1.00 0.00 H new ATOM 0 HB2 MET A 70 -6.044 2.376 8.752 1.00 0.00 H new ATOM 0 HB3 MET A 70 -6.541 2.204 10.423 1.00 0.00 H new ATOM 0 HG2 MET A 70 -7.651 0.499 9.071 1.00 0.00 H new ATOM 0 HG3 MET A 70 -8.852 1.623 9.676 1.00 0.00 H new ATOM 0 HE1 MET A 70 -7.547 0.348 5.753 1.00 0.00 H new ATOM 0 HE2 MET A 70 -7.568 -0.316 7.404 1.00 0.00 H new ATOM 0 HE3 MET A 70 -9.065 -0.276 6.442 1.00 0.00 H new ATOM 997 N LEU A 71 -7.008 4.687 7.170 1.00 0.00 N ATOM 998 CA LEU A 71 -6.293 5.397 6.087 1.00 0.00 C ATOM 999 C LEU A 71 -6.353 6.900 6.367 1.00 0.00 C ATOM 1000 O LEU A 71 -5.454 7.649 6.038 1.00 0.00 O ATOM 1001 CB LEU A 71 -7.079 4.997 4.841 1.00 0.00 C ATOM 1002 CG LEU A 71 -6.303 5.306 3.554 1.00 0.00 C ATOM 1003 CD1 LEU A 71 -7.299 5.562 2.424 1.00 0.00 C ATOM 1004 CD2 LEU A 71 -5.436 6.552 3.730 1.00 0.00 C ATOM 0 H LEU A 71 -7.854 4.195 6.883 1.00 0.00 H new ATOM 0 HA LEU A 71 -5.236 5.152 5.986 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -7.307 3.932 4.881 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -8.032 5.526 4.827 1.00 0.00 H new ATOM 0 HG LEU A 71 -5.661 4.456 3.321 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -6.757 5.783 1.504 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -7.918 4.677 2.277 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -7.934 6.409 2.683 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -4.895 6.752 2.805 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -6.070 7.405 3.972 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -4.724 6.389 4.539 1.00 0.00 H new ATOM 1016 N GLU A 72 -7.403 7.336 7.010 1.00 0.00 N ATOM 1017 CA GLU A 72 -7.529 8.779 7.356 1.00 0.00 C ATOM 1018 C GLU A 72 -6.906 9.033 8.736 1.00 0.00 C ATOM 1019 O GLU A 72 -6.427 10.113 9.019 1.00 0.00 O ATOM 1020 CB GLU A 72 -9.044 9.046 7.362 1.00 0.00 C ATOM 1021 CG GLU A 72 -9.437 9.948 8.541 1.00 0.00 C ATOM 1022 CD GLU A 72 -10.629 10.821 8.141 1.00 0.00 C ATOM 1023 OE1 GLU A 72 -11.729 10.297 8.089 1.00 0.00 O ATOM 1024 OE2 GLU A 72 -10.421 11.997 7.896 1.00 0.00 O ATOM 0 H GLU A 72 -8.182 6.751 7.311 1.00 0.00 H new ATOM 0 HA GLU A 72 -7.013 9.436 6.656 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -9.338 9.518 6.424 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -9.584 8.101 7.426 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -9.693 9.340 9.408 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -8.594 10.575 8.829 1.00 0.00 H new ATOM 1031 N CYS A 73 -6.919 8.053 9.599 1.00 0.00 N ATOM 1032 CA CYS A 73 -6.335 8.261 10.954 1.00 0.00 C ATOM 1033 C CYS A 73 -4.951 8.885 10.809 1.00 0.00 C ATOM 1034 O CYS A 73 -4.635 9.877 11.435 1.00 0.00 O ATOM 1035 CB CYS A 73 -6.238 6.865 11.568 1.00 0.00 C ATOM 1036 SG CYS A 73 -7.433 6.715 12.919 1.00 0.00 S ATOM 0 H CYS A 73 -7.305 7.125 9.426 1.00 0.00 H new ATOM 0 HA CYS A 73 -6.933 8.926 11.577 1.00 0.00 H new ATOM 0 HB2 CYS A 73 -6.434 6.108 10.809 1.00 0.00 H new ATOM 0 HB3 CYS A 73 -5.229 6.689 11.940 1.00 0.00 H new ATOM 0 HG CYS A 73 -7.352 5.527 13.440 1.00 0.00 H new ATOM 1042 N VAL A 74 -4.135 8.328 9.965 1.00 0.00 N ATOM 1043 CA VAL A 74 -2.783 8.907 9.751 1.00 0.00 C ATOM 1044 C VAL A 74 -2.852 9.935 8.620 1.00 0.00 C ATOM 1045 O VAL A 74 -2.456 9.667 7.504 1.00 0.00 O ATOM 1046 CB VAL A 74 -1.889 7.732 9.357 1.00 0.00 C ATOM 1047 CG1 VAL A 74 -1.690 6.808 10.557 1.00 0.00 C ATOM 1048 CG2 VAL A 74 -2.545 6.950 8.223 1.00 0.00 C ATOM 0 H VAL A 74 -4.345 7.496 9.413 1.00 0.00 H new ATOM 0 HA VAL A 74 -2.399 9.412 10.637 1.00 0.00 H new ATOM 0 HB VAL A 74 -0.922 8.113 9.029 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -1.052 5.972 10.271 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -1.219 7.362 11.369 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -2.657 6.429 10.889 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -1.907 6.112 7.942 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -3.513 6.574 8.553 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -2.684 7.604 7.362 1.00 0.00 H new ATOM 1058 N THR A 75 -3.371 11.100 8.897 1.00 0.00 N ATOM 1059 CA THR A 75 -3.490 12.144 7.839 1.00 0.00 C ATOM 1060 C THR A 75 -2.169 12.300 7.078 1.00 0.00 C ATOM 1061 O THR A 75 -1.339 13.122 7.404 1.00 0.00 O ATOM 1062 CB THR A 75 -3.805 13.430 8.605 1.00 0.00 C ATOM 1063 OG1 THR A 75 -4.082 14.474 7.681 1.00 0.00 O ATOM 1064 CG2 THR A 75 -2.600 13.814 9.471 1.00 0.00 C ATOM 0 H THR A 75 -3.720 11.375 9.815 1.00 0.00 H new ATOM 0 HA THR A 75 -4.251 11.893 7.100 1.00 0.00 H new ATOM 0 HB THR A 75 -4.674 13.273 9.244 1.00 0.00 H new ATOM 0 HG1 THR A 75 -4.286 15.298 8.170 1.00 0.00 H new ATOM 0 HG21 THR A 75 -2.822 14.730 10.018 1.00 0.00 H new ATOM 0 HG22 THR A 75 -2.389 13.011 10.178 1.00 0.00 H new ATOM 0 HG23 THR A 75 -1.730 13.974 8.834 1.00 0.00 H new ATOM 1072 N ALA A 76 -1.970 11.525 6.054 1.00 0.00 N ATOM 1073 CA ALA A 76 -0.709 11.646 5.276 1.00 0.00 C ATOM 1074 C ALA A 76 -0.988 12.344 3.946 1.00 0.00 C ATOM 1075 O ALA A 76 -0.477 11.954 2.921 1.00 0.00 O ATOM 1076 CB ALA A 76 -0.243 10.211 5.044 1.00 0.00 C ATOM 0 H ALA A 76 -2.623 10.815 5.722 1.00 0.00 H new ATOM 0 HA ALA A 76 0.047 12.234 5.796 1.00 0.00 H new ATOM 0 HB1 ALA A 76 0.686 10.218 4.474 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -0.076 9.723 6.004 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -1.006 9.666 4.488 1.00 0.00 H new ATOM 1082 N GLU A 77 -1.809 13.363 3.963 1.00 0.00 N ATOM 1083 CA GLU A 77 -2.155 14.091 2.703 1.00 0.00 C ATOM 1084 C GLU A 77 -2.959 13.162 1.789 1.00 0.00 C ATOM 1085 O GLU A 77 -2.745 13.083 0.597 1.00 0.00 O ATOM 1086 CB GLU A 77 -0.807 14.546 2.098 1.00 0.00 C ATOM 1087 CG GLU A 77 -0.332 13.613 0.971 1.00 0.00 C ATOM 1088 CD GLU A 77 1.186 13.444 1.059 1.00 0.00 C ATOM 1089 OE1 GLU A 77 1.887 14.338 0.617 1.00 0.00 O ATOM 1090 OE2 GLU A 77 1.619 12.423 1.565 1.00 0.00 O ATOM 0 H GLU A 77 -2.259 13.726 4.804 1.00 0.00 H new ATOM 0 HA GLU A 77 -2.787 14.965 2.862 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -0.908 15.560 1.710 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -0.051 14.579 2.883 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -0.823 12.643 1.055 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -0.608 14.026 0.001 1.00 0.00 H new ATOM 1097 N LEU A 78 -3.902 12.478 2.382 1.00 0.00 N ATOM 1098 CA LEU A 78 -4.784 11.532 1.641 1.00 0.00 C ATOM 1099 C LEU A 78 -4.796 11.799 0.137 1.00 0.00 C ATOM 1100 O LEU A 78 -4.889 12.923 -0.315 1.00 0.00 O ATOM 1101 CB LEU A 78 -6.158 11.777 2.234 1.00 0.00 C ATOM 1102 CG LEU A 78 -6.751 10.437 2.664 1.00 0.00 C ATOM 1103 CD1 LEU A 78 -5.901 9.836 3.785 1.00 0.00 C ATOM 1104 CD2 LEU A 78 -8.176 10.649 3.164 1.00 0.00 C ATOM 0 H LEU A 78 -4.102 12.539 3.380 1.00 0.00 H new ATOM 0 HA LEU A 78 -4.442 10.502 1.743 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -6.086 12.450 3.088 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -6.805 12.259 1.502 1.00 0.00 H new ATOM 0 HG LEU A 78 -6.761 9.756 1.813 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -6.326 8.880 4.091 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -4.883 9.683 3.428 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -5.888 10.516 4.637 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -8.600 9.693 3.471 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -8.166 11.331 4.014 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -8.783 11.075 2.365 1.00 0.00 H new ATOM 1116 N LYS A 79 -4.685 10.757 -0.632 1.00 0.00 N ATOM 1117 CA LYS A 79 -4.668 10.900 -2.117 1.00 0.00 C ATOM 1118 C LYS A 79 -5.875 10.173 -2.703 1.00 0.00 C ATOM 1119 O LYS A 79 -6.566 9.463 -2.000 1.00 0.00 O ATOM 1120 CB LYS A 79 -3.381 10.204 -2.579 1.00 0.00 C ATOM 1121 CG LYS A 79 -2.260 10.427 -1.563 1.00 0.00 C ATOM 1122 CD LYS A 79 -1.699 11.818 -1.749 1.00 0.00 C ATOM 1123 CE LYS A 79 -0.514 11.839 -2.728 1.00 0.00 C ATOM 1124 NZ LYS A 79 -0.379 10.482 -3.347 1.00 0.00 N ATOM 0 H LYS A 79 -4.604 9.798 -0.294 1.00 0.00 H new ATOM 0 HA LYS A 79 -4.705 11.943 -2.432 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -3.562 9.136 -2.702 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -3.080 10.591 -3.553 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -2.641 10.307 -0.549 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -1.475 9.683 -1.699 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -2.484 12.479 -2.117 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -1.378 12.211 -0.784 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -0.674 12.592 -3.500 1.00 0.00 H new ATOM 0 HE3 LYS A 79 0.404 12.109 -2.205 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 0.341 10.513 -4.097 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -0.093 9.796 -2.620 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -1.291 10.194 -3.755 1.00 0.00 H new ATOM 1138 N PRO A 80 -6.077 10.339 -3.979 1.00 0.00 N ATOM 1139 CA PRO A 80 -7.195 9.643 -4.649 1.00 0.00 C ATOM 1140 C PRO A 80 -6.883 8.150 -4.705 1.00 0.00 C ATOM 1141 O PRO A 80 -7.763 7.313 -4.752 1.00 0.00 O ATOM 1142 CB PRO A 80 -7.217 10.253 -6.045 1.00 0.00 C ATOM 1143 CG PRO A 80 -5.833 10.769 -6.262 1.00 0.00 C ATOM 1144 CD PRO A 80 -5.304 11.168 -4.911 1.00 0.00 C ATOM 0 HA PRO A 80 -8.154 9.751 -4.143 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -7.484 9.510 -6.796 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -7.953 11.054 -6.114 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -5.201 10.005 -6.715 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -5.840 11.621 -6.942 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -4.234 10.975 -4.826 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -5.453 12.231 -4.720 1.00 0.00 H new ATOM 1152 N ASN A 81 -5.622 7.819 -4.703 1.00 0.00 N ATOM 1153 CA ASN A 81 -5.217 6.388 -4.758 1.00 0.00 C ATOM 1154 C ASN A 81 -4.733 5.889 -3.387 1.00 0.00 C ATOM 1155 O ASN A 81 -4.507 4.709 -3.204 1.00 0.00 O ATOM 1156 CB ASN A 81 -4.076 6.337 -5.773 1.00 0.00 C ATOM 1157 CG ASN A 81 -2.991 7.338 -5.376 1.00 0.00 C ATOM 1158 OD1 ASN A 81 -3.231 8.236 -4.594 1.00 0.00 O ATOM 1159 ND2 ASN A 81 -1.796 7.219 -5.887 1.00 0.00 N ATOM 0 H ASN A 81 -4.849 8.484 -4.665 1.00 0.00 H new ATOM 0 HA ASN A 81 -6.054 5.748 -5.038 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -3.659 5.331 -5.816 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -4.452 6.569 -6.770 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -1.063 7.880 -5.630 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -1.595 6.465 -6.544 1.00 0.00 H new ATOM 1166 N SER A 82 -4.554 6.759 -2.422 1.00 0.00 N ATOM 1167 CA SER A 82 -4.068 6.280 -1.088 1.00 0.00 C ATOM 1168 C SER A 82 -4.861 5.065 -0.609 1.00 0.00 C ATOM 1169 O SER A 82 -5.974 4.821 -1.033 1.00 0.00 O ATOM 1170 CB SER A 82 -4.333 7.435 -0.137 1.00 0.00 C ATOM 1171 OG SER A 82 -3.671 8.577 -0.619 1.00 0.00 O ATOM 0 H SER A 82 -4.720 7.763 -2.496 1.00 0.00 H new ATOM 0 HA SER A 82 -3.019 5.987 -1.139 1.00 0.00 H new ATOM 0 HB2 SER A 82 -5.404 7.623 -0.060 1.00 0.00 H new ATOM 0 HB3 SER A 82 -3.980 7.188 0.864 1.00 0.00 H new ATOM 0 HG SER A 82 -2.704 8.469 -0.500 1.00 0.00 H new ATOM 1177 N ARG A 83 -4.288 4.309 0.285 1.00 0.00 N ATOM 1178 CA ARG A 83 -4.985 3.109 0.821 1.00 0.00 C ATOM 1179 C ARG A 83 -4.141 2.469 1.927 1.00 0.00 C ATOM 1180 O ARG A 83 -2.958 2.711 2.031 1.00 0.00 O ATOM 1181 CB ARG A 83 -5.122 2.163 -0.373 1.00 0.00 C ATOM 1182 CG ARG A 83 -6.603 1.883 -0.628 1.00 0.00 C ATOM 1183 CD ARG A 83 -6.982 2.368 -2.027 1.00 0.00 C ATOM 1184 NE ARG A 83 -6.924 1.150 -2.878 1.00 0.00 N ATOM 1185 CZ ARG A 83 -7.326 1.201 -4.119 1.00 0.00 C ATOM 1186 NH1 ARG A 83 -8.263 2.041 -4.467 1.00 0.00 N ATOM 1187 NH2 ARG A 83 -6.791 0.414 -5.011 1.00 0.00 N ATOM 0 H ARG A 83 -3.358 4.474 0.670 1.00 0.00 H new ATOM 0 HA ARG A 83 -5.955 3.349 1.258 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -4.666 2.607 -1.258 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -4.592 1.231 -0.176 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -6.803 0.816 -0.535 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -7.213 2.388 0.121 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -7.978 2.810 -2.036 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -6.291 3.132 -2.382 1.00 0.00 H new ATOM 0 HE ARG A 83 -6.570 0.275 -2.492 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -8.681 2.657 -3.769 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -8.577 2.081 -5.436 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -6.058 -0.241 -4.739 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -7.105 0.454 -5.981 1.00 0.00 H new ATOM 1201 N LEU A 84 -4.736 1.646 2.743 1.00 0.00 N ATOM 1202 CA LEU A 84 -3.959 0.975 3.829 1.00 0.00 C ATOM 1203 C LEU A 84 -3.199 -0.222 3.253 1.00 0.00 C ATOM 1204 O LEU A 84 -3.734 -0.962 2.451 1.00 0.00 O ATOM 1205 CB LEU A 84 -5.004 0.465 4.836 1.00 0.00 C ATOM 1206 CG LEU A 84 -4.679 0.960 6.251 1.00 0.00 C ATOM 1207 CD1 LEU A 84 -5.482 0.130 7.241 1.00 0.00 C ATOM 1208 CD2 LEU A 84 -3.206 0.734 6.564 1.00 0.00 C ATOM 0 H LEU A 84 -5.727 1.407 2.708 1.00 0.00 H new ATOM 0 HA LEU A 84 -3.241 1.655 4.287 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -5.996 0.809 4.544 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -5.028 -0.625 4.823 1.00 0.00 H new ATOM 0 HG LEU A 84 -4.917 2.022 6.320 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -5.266 0.465 8.256 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -6.546 0.250 7.038 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -5.210 -0.921 7.140 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -2.989 1.090 7.571 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -2.979 -0.330 6.498 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -2.594 1.280 5.847 1.00 0.00 H new ATOM 1220 N SER A 85 -1.968 -0.436 3.674 1.00 0.00 N ATOM 1221 CA SER A 85 -1.198 -1.613 3.172 1.00 0.00 C ATOM 1222 C SER A 85 -2.155 -2.804 3.050 1.00 0.00 C ATOM 1223 O SER A 85 -2.003 -3.682 2.224 1.00 0.00 O ATOM 1224 CB SER A 85 -0.170 -1.920 4.258 1.00 0.00 C ATOM 1225 OG SER A 85 0.585 -0.758 4.546 1.00 0.00 O ATOM 0 H SER A 85 -1.471 0.155 4.341 1.00 0.00 H new ATOM 0 HA SER A 85 -0.732 -1.423 2.205 1.00 0.00 H new ATOM 0 HB2 SER A 85 -0.673 -2.270 5.159 1.00 0.00 H new ATOM 0 HB3 SER A 85 0.491 -2.722 3.930 1.00 0.00 H new ATOM 0 HG SER A 85 1.335 -0.992 5.132 1.00 0.00 H new ATOM 1231 N CYS A 86 -3.123 -2.823 3.925 1.00 0.00 N ATOM 1232 CA CYS A 86 -4.125 -3.939 3.974 1.00 0.00 C ATOM 1233 C CYS A 86 -5.360 -3.646 3.115 1.00 0.00 C ATOM 1234 O CYS A 86 -6.466 -3.988 3.485 1.00 0.00 O ATOM 1235 CB CYS A 86 -4.542 -4.084 5.467 1.00 0.00 C ATOM 1236 SG CYS A 86 -4.439 -2.508 6.384 1.00 0.00 S ATOM 0 H CYS A 86 -3.269 -2.097 4.626 1.00 0.00 H new ATOM 0 HA CYS A 86 -3.684 -4.853 3.577 1.00 0.00 H new ATOM 0 HB2 CYS A 86 -5.562 -4.464 5.520 1.00 0.00 H new ATOM 0 HB3 CYS A 86 -3.901 -4.823 5.949 1.00 0.00 H new ATOM 0 HG CYS A 86 -3.818 -2.701 7.510 1.00 0.00 H new ATOM 1241 N GLN A 87 -5.207 -3.020 1.978 1.00 0.00 N ATOM 1242 CA GLN A 87 -6.414 -2.738 1.147 1.00 0.00 C ATOM 1243 C GLN A 87 -6.285 -3.221 -0.294 1.00 0.00 C ATOM 1244 O GLN A 87 -7.231 -3.716 -0.872 1.00 0.00 O ATOM 1245 CB GLN A 87 -6.606 -1.222 1.200 1.00 0.00 C ATOM 1246 CG GLN A 87 -7.499 -0.854 2.389 1.00 0.00 C ATOM 1247 CD GLN A 87 -8.739 -1.755 2.410 1.00 0.00 C ATOM 1248 OE1 GLN A 87 -9.754 -1.430 1.825 1.00 0.00 O ATOM 1249 NE2 GLN A 87 -8.693 -2.883 3.060 1.00 0.00 N ATOM 0 H GLN A 87 -4.318 -2.698 1.595 1.00 0.00 H new ATOM 0 HA GLN A 87 -7.273 -3.281 1.542 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -5.639 -0.727 1.292 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -7.057 -0.871 0.272 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -6.943 -0.964 3.320 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -7.800 0.191 2.319 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -7.841 -3.155 3.550 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -9.509 -3.495 3.078 1.00 0.00 H new ATOM 1258 N ILE A 88 -5.155 -3.053 -0.896 1.00 0.00 N ATOM 1259 CA ILE A 88 -5.030 -3.481 -2.321 1.00 0.00 C ATOM 1260 C ILE A 88 -4.506 -4.906 -2.433 1.00 0.00 C ATOM 1261 O ILE A 88 -3.756 -5.386 -1.607 1.00 0.00 O ATOM 1262 CB ILE A 88 -4.048 -2.523 -2.993 1.00 0.00 C ATOM 1263 CG1 ILE A 88 -4.127 -1.131 -2.346 1.00 0.00 C ATOM 1264 CG2 ILE A 88 -4.398 -2.422 -4.478 1.00 0.00 C ATOM 1265 CD1 ILE A 88 -3.499 -0.081 -3.273 1.00 0.00 C ATOM 0 H ILE A 88 -4.318 -2.645 -0.480 1.00 0.00 H new ATOM 0 HA ILE A 88 -6.009 -3.457 -2.799 1.00 0.00 H new ATOM 0 HB ILE A 88 -3.033 -2.902 -2.872 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -5.167 -0.874 -2.144 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -3.609 -1.137 -1.387 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -3.704 -1.741 -4.970 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -4.325 -3.408 -4.937 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -5.415 -2.045 -4.587 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -3.561 0.901 -2.805 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -2.454 -0.333 -3.452 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -4.036 -0.065 -4.221 1.00 0.00 H new ATOM 1277 N ILE A 89 -4.893 -5.565 -3.480 1.00 0.00 N ATOM 1278 CA ILE A 89 -4.434 -6.954 -3.723 1.00 0.00 C ATOM 1279 C ILE A 89 -3.504 -6.965 -4.935 1.00 0.00 C ATOM 1280 O ILE A 89 -3.474 -6.027 -5.708 1.00 0.00 O ATOM 1281 CB ILE A 89 -5.709 -7.745 -4.011 1.00 0.00 C ATOM 1282 CG1 ILE A 89 -6.468 -8.004 -2.705 1.00 0.00 C ATOM 1283 CG2 ILE A 89 -5.343 -9.076 -4.662 1.00 0.00 C ATOM 1284 CD1 ILE A 89 -5.500 -8.508 -1.634 1.00 0.00 C ATOM 0 H ILE A 89 -5.521 -5.193 -4.193 1.00 0.00 H new ATOM 0 HA ILE A 89 -3.884 -7.377 -2.882 1.00 0.00 H new ATOM 0 HB ILE A 89 -6.345 -7.171 -4.685 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -6.953 -7.088 -2.368 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -7.256 -8.739 -2.871 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -6.251 -9.642 -4.868 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -4.811 -8.891 -5.595 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -4.705 -9.647 -3.988 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -6.045 -8.690 -0.708 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -5.036 -9.435 -1.970 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -4.728 -7.758 -1.459 1.00 0.00 H new ATOM 1296 N MET A 90 -2.746 -8.004 -5.117 1.00 0.00 N ATOM 1297 CA MET A 90 -1.830 -8.041 -6.289 1.00 0.00 C ATOM 1298 C MET A 90 -2.297 -9.076 -7.314 1.00 0.00 C ATOM 1299 O MET A 90 -2.191 -10.267 -7.101 1.00 0.00 O ATOM 1300 CB MET A 90 -0.470 -8.428 -5.718 1.00 0.00 C ATOM 1301 CG MET A 90 0.627 -7.638 -6.432 1.00 0.00 C ATOM 1302 SD MET A 90 0.335 -5.864 -6.225 1.00 0.00 S ATOM 1303 CE MET A 90 0.205 -5.464 -7.985 1.00 0.00 C ATOM 0 H MET A 90 -2.719 -8.825 -4.512 1.00 0.00 H new ATOM 0 HA MET A 90 -1.799 -7.084 -6.809 1.00 0.00 H new ATOM 0 HB2 MET A 90 -0.442 -8.224 -4.648 1.00 0.00 H new ATOM 0 HB3 MET A 90 -0.302 -9.498 -5.843 1.00 0.00 H new ATOM 0 HG2 MET A 90 1.603 -7.905 -6.027 1.00 0.00 H new ATOM 0 HG3 MET A 90 0.641 -7.893 -7.492 1.00 0.00 H new ATOM 0 HE1 MET A 90 -0.084 -4.419 -8.100 1.00 0.00 H new ATOM 0 HE2 MET A 90 1.168 -5.629 -8.468 1.00 0.00 H new ATOM 0 HE3 MET A 90 -0.547 -6.102 -8.449 1.00 0.00 H new ATOM 1313 N THR A 91 -2.797 -8.626 -8.431 1.00 0.00 N ATOM 1314 CA THR A 91 -3.255 -9.581 -9.479 1.00 0.00 C ATOM 1315 C THR A 91 -2.081 -9.933 -10.396 1.00 0.00 C ATOM 1316 O THR A 91 -1.107 -9.210 -10.454 1.00 0.00 O ATOM 1317 CB THR A 91 -4.341 -8.833 -10.253 1.00 0.00 C ATOM 1318 OG1 THR A 91 -4.093 -7.436 -10.182 1.00 0.00 O ATOM 1319 CG2 THR A 91 -5.709 -9.144 -9.643 1.00 0.00 C ATOM 0 H THR A 91 -2.908 -7.639 -8.664 1.00 0.00 H new ATOM 0 HA THR A 91 -3.633 -10.515 -9.062 1.00 0.00 H new ATOM 0 HB THR A 91 -4.331 -9.151 -11.296 1.00 0.00 H new ATOM 0 HG1 THR A 91 -4.775 -7.011 -9.621 1.00 0.00 H new ATOM 0 HG21 THR A 91 -6.483 -8.611 -10.195 1.00 0.00 H new ATOM 0 HG22 THR A 91 -5.897 -10.216 -9.699 1.00 0.00 H new ATOM 0 HG23 THR A 91 -5.723 -8.827 -8.600 1.00 0.00 H new ATOM 1327 N PRO A 92 -2.211 -11.036 -11.078 1.00 0.00 N ATOM 1328 CA PRO A 92 -1.139 -11.491 -11.997 1.00 0.00 C ATOM 1329 C PRO A 92 -1.083 -10.608 -13.248 1.00 0.00 C ATOM 1330 O PRO A 92 -0.253 -10.797 -14.116 1.00 0.00 O ATOM 1331 CB PRO A 92 -1.549 -12.919 -12.345 1.00 0.00 C ATOM 1332 CG PRO A 92 -3.028 -12.965 -12.131 1.00 0.00 C ATOM 1333 CD PRO A 92 -3.355 -11.953 -11.062 1.00 0.00 C ATOM 0 HA PRO A 92 -0.144 -11.436 -11.554 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -1.293 -13.162 -13.376 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -1.037 -13.642 -11.710 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -3.558 -12.734 -13.055 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -3.342 -13.963 -11.825 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -4.287 -11.431 -11.278 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -3.473 -12.426 -10.087 1.00 0.00 H new ATOM 1341 N GLU A 93 -1.953 -9.640 -13.344 1.00 0.00 N ATOM 1342 CA GLU A 93 -1.940 -8.741 -14.535 1.00 0.00 C ATOM 1343 C GLU A 93 -1.464 -7.342 -14.131 1.00 0.00 C ATOM 1344 O GLU A 93 -0.914 -6.607 -14.926 1.00 0.00 O ATOM 1345 CB GLU A 93 -3.389 -8.700 -15.024 1.00 0.00 C ATOM 1346 CG GLU A 93 -4.327 -8.481 -13.836 1.00 0.00 C ATOM 1347 CD GLU A 93 -5.431 -7.498 -14.231 1.00 0.00 C ATOM 1348 OE1 GLU A 93 -5.443 -7.081 -15.377 1.00 0.00 O ATOM 1349 OE2 GLU A 93 -6.246 -7.180 -13.381 1.00 0.00 O ATOM 0 H GLU A 93 -2.672 -9.432 -12.651 1.00 0.00 H new ATOM 0 HA GLU A 93 -1.264 -9.095 -15.313 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -3.515 -7.899 -15.752 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -3.639 -9.632 -15.530 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -4.764 -9.430 -13.525 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -3.768 -8.093 -12.984 1.00 0.00 H new ATOM 1356 N LEU A 94 -1.673 -6.972 -12.897 1.00 0.00 N ATOM 1357 CA LEU A 94 -1.236 -5.623 -12.429 1.00 0.00 C ATOM 1358 C LEU A 94 0.091 -5.732 -11.706 1.00 0.00 C ATOM 1359 O LEU A 94 0.205 -5.436 -10.536 1.00 0.00 O ATOM 1360 CB LEU A 94 -2.326 -5.175 -11.472 1.00 0.00 C ATOM 1361 CG LEU A 94 -3.690 -5.427 -12.109 1.00 0.00 C ATOM 1362 CD1 LEU A 94 -4.747 -4.627 -11.356 1.00 0.00 C ATOM 1363 CD2 LEU A 94 -3.658 -4.991 -13.582 1.00 0.00 C ATOM 0 H LEU A 94 -2.129 -7.547 -12.189 1.00 0.00 H new ATOM 0 HA LEU A 94 -1.097 -4.920 -13.250 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -2.245 -5.718 -10.531 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -2.210 -4.116 -11.240 1.00 0.00 H new ATOM 0 HG LEU A 94 -3.931 -6.489 -12.057 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -5.724 -4.802 -11.806 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -4.766 -4.941 -10.312 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -4.507 -3.565 -11.411 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -4.632 -5.171 -14.036 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -3.421 -3.929 -13.642 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -2.898 -5.563 -14.114 1.00 0.00 H new ATOM 1375 N ASP A 95 1.085 -6.190 -12.388 1.00 0.00 N ATOM 1376 CA ASP A 95 2.405 -6.361 -11.733 1.00 0.00 C ATOM 1377 C ASP A 95 3.368 -5.225 -12.059 1.00 0.00 C ATOM 1378 O ASP A 95 3.363 -4.672 -13.143 1.00 0.00 O ATOM 1379 CB ASP A 95 2.929 -7.686 -12.269 1.00 0.00 C ATOM 1380 CG ASP A 95 2.850 -7.691 -13.797 1.00 0.00 C ATOM 1381 OD1 ASP A 95 1.795 -8.016 -14.315 1.00 0.00 O ATOM 1382 OD2 ASP A 95 3.847 -7.372 -14.423 1.00 0.00 O ATOM 0 H ASP A 95 1.047 -6.455 -13.372 1.00 0.00 H new ATOM 0 HA ASP A 95 2.312 -6.350 -10.647 1.00 0.00 H new ATOM 0 HB2 ASP A 95 3.960 -7.837 -11.948 1.00 0.00 H new ATOM 0 HB3 ASP A 95 2.344 -8.511 -11.862 1.00 0.00 H new ATOM 1387 N GLY A 96 4.186 -4.867 -11.107 1.00 0.00 N ATOM 1388 CA GLY A 96 5.140 -3.748 -11.313 1.00 0.00 C ATOM 1389 C GLY A 96 4.573 -2.541 -10.590 1.00 0.00 C ATOM 1390 O GLY A 96 4.835 -1.406 -10.936 1.00 0.00 O ATOM 0 H GLY A 96 4.232 -5.308 -10.188 1.00 0.00 H new ATOM 0 HA2 GLY A 96 6.125 -4.004 -10.922 1.00 0.00 H new ATOM 0 HA3 GLY A 96 5.264 -3.538 -12.375 1.00 0.00 H new ATOM 1394 N ILE A 97 3.747 -2.787 -9.615 1.00 0.00 N ATOM 1395 CA ILE A 97 3.091 -1.669 -8.902 1.00 0.00 C ATOM 1396 C ILE A 97 4.009 -0.952 -7.924 1.00 0.00 C ATOM 1397 O ILE A 97 4.431 -1.486 -6.917 1.00 0.00 O ATOM 1398 CB ILE A 97 1.905 -2.303 -8.172 1.00 0.00 C ATOM 1399 CG1 ILE A 97 1.199 -1.246 -7.304 1.00 0.00 C ATOM 1400 CG2 ILE A 97 2.395 -3.462 -7.305 1.00 0.00 C ATOM 1401 CD1 ILE A 97 1.967 -0.994 -6.003 1.00 0.00 C ATOM 0 H ILE A 97 3.499 -3.719 -9.283 1.00 0.00 H new ATOM 0 HA ILE A 97 2.790 -0.896 -9.609 1.00 0.00 H new ATOM 0 HB ILE A 97 1.193 -2.686 -8.903 1.00 0.00 H new ATOM 0 HG12 ILE A 97 1.109 -0.314 -7.862 1.00 0.00 H new ATOM 0 HG13 ILE A 97 0.187 -1.578 -7.073 1.00 0.00 H new ATOM 0 HG21 ILE A 97 1.548 -3.912 -6.786 1.00 0.00 H new ATOM 0 HG22 ILE A 97 2.874 -4.211 -7.936 1.00 0.00 H new ATOM 0 HG23 ILE A 97 3.113 -3.091 -6.574 1.00 0.00 H new ATOM 0 HD11 ILE A 97 1.444 -0.243 -5.411 1.00 0.00 H new ATOM 0 HD12 ILE A 97 2.034 -1.922 -5.435 1.00 0.00 H new ATOM 0 HD13 ILE A 97 2.971 -0.638 -6.236 1.00 0.00 H new ATOM 1413 N VAL A 98 4.274 0.285 -8.214 1.00 0.00 N ATOM 1414 CA VAL A 98 5.115 1.117 -7.319 1.00 0.00 C ATOM 1415 C VAL A 98 4.281 1.565 -6.113 1.00 0.00 C ATOM 1416 O VAL A 98 3.250 2.188 -6.268 1.00 0.00 O ATOM 1417 CB VAL A 98 5.486 2.330 -8.173 1.00 0.00 C ATOM 1418 CG1 VAL A 98 6.602 3.119 -7.484 1.00 0.00 C ATOM 1419 CG2 VAL A 98 5.967 1.859 -9.548 1.00 0.00 C ATOM 0 H VAL A 98 3.937 0.764 -9.049 1.00 0.00 H new ATOM 0 HA VAL A 98 5.990 0.588 -6.941 1.00 0.00 H new ATOM 0 HB VAL A 98 4.612 2.969 -8.294 1.00 0.00 H new ATOM 0 HG11 VAL A 98 6.866 3.983 -8.093 1.00 0.00 H new ATOM 0 HG12 VAL A 98 6.259 3.456 -6.506 1.00 0.00 H new ATOM 0 HG13 VAL A 98 7.477 2.481 -7.362 1.00 0.00 H new ATOM 0 HG21 VAL A 98 6.231 2.724 -10.157 1.00 0.00 H new ATOM 0 HG22 VAL A 98 6.841 1.219 -9.428 1.00 0.00 H new ATOM 0 HG23 VAL A 98 5.172 1.299 -10.040 1.00 0.00 H new ATOM 1429 N VAL A 99 4.711 1.270 -4.918 1.00 0.00 N ATOM 1430 CA VAL A 99 3.920 1.709 -3.727 1.00 0.00 C ATOM 1431 C VAL A 99 4.600 2.881 -3.086 1.00 0.00 C ATOM 1432 O VAL A 99 5.625 3.346 -3.528 1.00 0.00 O ATOM 1433 CB VAL A 99 3.955 0.576 -2.703 1.00 0.00 C ATOM 1434 CG1 VAL A 99 2.721 0.629 -1.805 1.00 0.00 C ATOM 1435 CG2 VAL A 99 4.010 -0.753 -3.398 1.00 0.00 C ATOM 0 H VAL A 99 5.564 0.751 -4.712 1.00 0.00 H new ATOM 0 HA VAL A 99 2.905 1.965 -4.031 1.00 0.00 H new ATOM 0 HB VAL A 99 4.848 0.699 -2.090 1.00 0.00 H new ATOM 0 HG11 VAL A 99 2.762 -0.185 -1.082 1.00 0.00 H new ATOM 0 HG12 VAL A 99 2.696 1.582 -1.277 1.00 0.00 H new ATOM 0 HG13 VAL A 99 1.823 0.528 -2.414 1.00 0.00 H new ATOM 0 HG21 VAL A 99 4.035 -1.551 -2.656 1.00 0.00 H new ATOM 0 HG22 VAL A 99 3.129 -0.871 -4.028 1.00 0.00 H new ATOM 0 HG23 VAL A 99 4.907 -0.804 -4.015 1.00 0.00 H new ATOM 1445 N ASP A 100 4.063 3.319 -2.007 1.00 0.00 N ATOM 1446 CA ASP A 100 4.708 4.419 -1.273 1.00 0.00 C ATOM 1447 C ASP A 100 4.176 4.474 0.149 1.00 0.00 C ATOM 1448 O ASP A 100 3.004 4.290 0.388 1.00 0.00 O ATOM 1449 CB ASP A 100 4.372 5.713 -2.014 1.00 0.00 C ATOM 1450 CG ASP A 100 5.242 5.843 -3.266 1.00 0.00 C ATOM 1451 OD1 ASP A 100 6.369 6.291 -3.135 1.00 0.00 O ATOM 1452 OD2 ASP A 100 4.766 5.492 -4.332 1.00 0.00 O ATOM 0 H ASP A 100 3.200 2.964 -1.595 1.00 0.00 H new ATOM 0 HA ASP A 100 5.787 4.274 -1.222 1.00 0.00 H new ATOM 0 HB2 ASP A 100 3.318 5.719 -2.292 1.00 0.00 H new ATOM 0 HB3 ASP A 100 4.534 6.569 -1.359 1.00 0.00 H new ATOM 1457 N VAL A 101 5.011 4.754 1.092 1.00 0.00 N ATOM 1458 CA VAL A 101 4.502 4.856 2.494 1.00 0.00 C ATOM 1459 C VAL A 101 4.258 6.340 2.818 1.00 0.00 C ATOM 1460 O VAL A 101 5.184 7.095 3.034 1.00 0.00 O ATOM 1461 CB VAL A 101 5.579 4.236 3.388 1.00 0.00 C ATOM 1462 CG1 VAL A 101 5.274 4.553 4.852 1.00 0.00 C ATOM 1463 CG2 VAL A 101 5.579 2.711 3.197 1.00 0.00 C ATOM 0 H VAL A 101 6.010 4.916 0.969 1.00 0.00 H new ATOM 0 HA VAL A 101 3.558 4.332 2.647 1.00 0.00 H new ATOM 0 HB VAL A 101 6.553 4.646 3.119 1.00 0.00 H new ATOM 0 HG11 VAL A 101 6.041 4.111 5.487 1.00 0.00 H new ATOM 0 HG12 VAL A 101 5.262 5.633 4.995 1.00 0.00 H new ATOM 0 HG13 VAL A 101 4.301 4.141 5.118 1.00 0.00 H new ATOM 0 HG21 VAL A 101 6.345 2.265 3.832 1.00 0.00 H new ATOM 0 HG22 VAL A 101 4.603 2.310 3.470 1.00 0.00 H new ATOM 0 HG23 VAL A 101 5.790 2.475 2.154 1.00 0.00 H new ATOM 1473 N PRO A 102 2.999 6.704 2.787 1.00 0.00 N ATOM 1474 CA PRO A 102 2.570 8.116 3.021 1.00 0.00 C ATOM 1475 C PRO A 102 2.782 8.585 4.470 1.00 0.00 C ATOM 1476 O PRO A 102 1.848 8.649 5.243 1.00 0.00 O ATOM 1477 CB PRO A 102 1.075 8.077 2.740 1.00 0.00 C ATOM 1478 CG PRO A 102 0.677 6.659 2.961 1.00 0.00 C ATOM 1479 CD PRO A 102 1.853 5.828 2.540 1.00 0.00 C ATOM 0 HA PRO A 102 3.145 8.803 2.401 1.00 0.00 H new ATOM 0 HB2 PRO A 102 0.531 8.748 3.405 1.00 0.00 H new ATOM 0 HB3 PRO A 102 0.857 8.394 1.720 1.00 0.00 H new ATOM 0 HG2 PRO A 102 0.429 6.482 4.008 1.00 0.00 H new ATOM 0 HG3 PRO A 102 -0.208 6.407 2.377 1.00 0.00 H new ATOM 0 HD2 PRO A 102 1.921 4.907 3.118 1.00 0.00 H new ATOM 0 HD3 PRO A 102 1.786 5.541 1.491 1.00 0.00 H new