USER MOD reduce.3.24.130724 H: found=0, std=0, add=760, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 759 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 1 MET N :NH3+ -108:sc= 0.402 (180deg=0.000433) USER MOD Set 1.2: A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ -137:sc= -0.473 (180deg=-2.72!) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0.00472 USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 SER OG : rot 110:sc= -0.77 USER MOD Single : A 12 ASN : amide:sc= -3 X(o=-3,f=-3!) USER MOD Single : A 16 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 18 LYS NZ :NH3+ 144:sc= 0 (180deg=-0.577) USER MOD Single : A 19 THR OG1 : rot -160:sc= -2.5! USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 THR OG1 : rot 180:sc= -0.835 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ -155:sc= -0.0887 (180deg=-0.52) USER MOD Single : A 33 THR OG1 : rot -91:sc= -2.17! USER MOD Single : A 41 HIS : no HD1:sc= -2.32 K(o=-2.3,f=-6.5!) USER MOD Single : A 46 ASN :FLIP amide:sc= -0.895 F(o=-1.8,f=-0.9) USER MOD Single : A 50 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 52 ASN :FLIP amide:sc= -3.29! C(o=-4.7!,f=-3.3!) USER MOD Single : A 58 LYS NZ :NH3+ -123:sc=-0.00672 (180deg=-1.95!) USER MOD Single : A 59 LYS NZ :NH3+ 150:sc= -0.629 (180deg=-2.71!) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot -105:sc= 0.992 USER MOD Single : A 72 THR OG1 : rot 180:sc= 0.156 USER MOD Single : A 76 GLN : amide:sc= -0.317 K(o=-0.32,f=-2.7!) USER MOD Single : A 80 SER OG : rot 96:sc= 1.16 USER MOD Single : A 81 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 84 THR OG1 : rot 99:sc= 1.2 USER MOD Single : A 86 TYR OH : rot 180:sc= 0 USER MOD Single : A 88 GLN : amide:sc= -0.367 X(o=-0.37,f=-0.51) USER MOD Single : A 90 ASN : amide:sc= -0.0251 K(o=-0.025,f=-1.1) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 100.039 116.106 -48.055 1.00 0.00 N ATOM 2 CA MET A 1 98.868 116.911 -47.725 1.00 0.00 C ATOM 3 C MET A 1 98.044 116.251 -46.619 1.00 0.00 C ATOM 4 O MET A 1 96.999 115.656 -46.856 1.00 0.00 O ATOM 5 CB MET A 1 97.977 117.137 -48.947 1.00 0.00 C ATOM 6 CG MET A 1 98.688 117.955 -50.026 1.00 0.00 C ATOM 7 SD MET A 1 99.427 116.886 -51.270 1.00 0.00 S ATOM 8 CE MET A 1 97.972 116.659 -52.304 1.00 0.00 C ATOM 0 H1 MET A 1 100.895 116.577 -47.699 1.00 0.00 H new ATOM 0 H2 MET A 1 99.951 115.168 -47.614 1.00 0.00 H new ATOM 0 H3 MET A 1 100.107 115.999 -49.087 1.00 0.00 H new ATOM 0 HA MET A 1 99.236 117.876 -47.376 1.00 0.00 H new ATOM 0 HB2 MET A 1 97.676 116.174 -49.360 1.00 0.00 H new ATOM 0 HB3 MET A 1 97.066 117.652 -48.642 1.00 0.00 H new ATOM 0 HG2 MET A 1 97.978 118.632 -50.500 1.00 0.00 H new ATOM 0 HG3 MET A 1 99.460 118.573 -49.568 1.00 0.00 H new ATOM 0 HE1 MET A 1 98.222 116.015 -53.147 1.00 0.00 H new ATOM 0 HE2 MET A 1 97.177 116.198 -51.718 1.00 0.00 H new ATOM 0 HE3 MET A 1 97.634 117.627 -52.675 1.00 0.00 H new ATOM 20 N SER A 2 98.588 116.400 -45.397 1.00 0.00 N ATOM 21 CA SER A 2 98.529 115.279 -44.481 1.00 0.00 C ATOM 22 C SER A 2 99.135 115.681 -43.135 1.00 0.00 C ATOM 23 O SER A 2 99.989 116.554 -43.046 1.00 0.00 O ATOM 24 CB SER A 2 99.294 114.084 -45.072 1.00 0.00 C ATOM 25 OG SER A 2 100.696 114.281 -45.212 1.00 0.00 O ATOM 0 H SER A 2 99.046 117.241 -45.047 1.00 0.00 H new ATOM 0 HA SER A 2 97.489 114.991 -44.329 1.00 0.00 H new ATOM 0 HB2 SER A 2 99.126 113.214 -44.438 1.00 0.00 H new ATOM 0 HB3 SER A 2 98.875 113.851 -46.051 1.00 0.00 H new ATOM 0 HG SER A 2 101.103 113.475 -45.592 1.00 0.00 H new ATOM 31 N LYS A 3 98.631 114.984 -42.101 1.00 0.00 N ATOM 32 CA LYS A 3 98.824 115.514 -40.758 1.00 0.00 C ATOM 33 C LYS A 3 100.306 115.584 -40.319 1.00 0.00 C ATOM 34 O LYS A 3 100.664 116.388 -39.470 1.00 0.00 O ATOM 35 CB LYS A 3 97.949 114.766 -39.749 1.00 0.00 C ATOM 36 CG LYS A 3 98.578 113.508 -39.143 1.00 0.00 C ATOM 37 CD LYS A 3 97.732 112.260 -39.399 1.00 0.00 C ATOM 38 CE LYS A 3 96.285 112.437 -38.943 1.00 0.00 C ATOM 39 NZ LYS A 3 95.640 111.169 -38.622 1.00 0.00 N ATOM 0 H LYS A 3 98.118 114.105 -42.167 1.00 0.00 H new ATOM 0 HA LYS A 3 98.497 116.554 -40.785 1.00 0.00 H new ATOM 0 HB2 LYS A 3 97.691 115.449 -38.940 1.00 0.00 H new ATOM 0 HB3 LYS A 3 97.016 114.486 -40.239 1.00 0.00 H new ATOM 0 HG2 LYS A 3 99.573 113.363 -39.563 1.00 0.00 H new ATOM 0 HG3 LYS A 3 98.702 113.647 -38.069 1.00 0.00 H new ATOM 0 HD2 LYS A 3 97.749 112.024 -40.463 1.00 0.00 H new ATOM 0 HD3 LYS A 3 98.174 111.411 -38.877 1.00 0.00 H new ATOM 0 HE2 LYS A 3 96.261 113.085 -38.067 1.00 0.00 H new ATOM 0 HE3 LYS A 3 95.719 112.940 -39.727 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 94.676 111.161 -39.013 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 96.188 110.387 -39.034 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 95.596 111.054 -37.589 1.00 0.00 H new ATOM 53 N VAL A 4 101.141 114.710 -40.918 1.00 0.00 N ATOM 54 CA VAL A 4 102.387 114.342 -40.262 1.00 0.00 C ATOM 55 C VAL A 4 103.288 115.566 -39.986 1.00 0.00 C ATOM 56 O VAL A 4 103.927 115.656 -38.949 1.00 0.00 O ATOM 57 CB VAL A 4 103.145 113.324 -41.119 1.00 0.00 C ATOM 58 CG1 VAL A 4 102.271 112.128 -41.500 1.00 0.00 C ATOM 59 CG2 VAL A 4 103.750 113.970 -42.363 1.00 0.00 C ATOM 0 H VAL A 4 100.975 114.266 -41.821 1.00 0.00 H new ATOM 0 HA VAL A 4 102.130 113.901 -39.299 1.00 0.00 H new ATOM 0 HB VAL A 4 103.963 112.950 -40.503 1.00 0.00 H new ATOM 0 HG11 VAL A 4 102.850 111.433 -42.107 1.00 0.00 H new ATOM 0 HG12 VAL A 4 101.931 111.623 -40.596 1.00 0.00 H new ATOM 0 HG13 VAL A 4 101.408 112.474 -42.069 1.00 0.00 H new ATOM 0 HG21 VAL A 4 104.279 113.215 -42.944 1.00 0.00 H new ATOM 0 HG22 VAL A 4 102.956 114.405 -42.970 1.00 0.00 H new ATOM 0 HG23 VAL A 4 104.448 114.752 -42.064 1.00 0.00 H new ATOM 69 N THR A 5 103.302 116.491 -40.961 1.00 0.00 N ATOM 70 CA THR A 5 104.058 117.720 -40.781 1.00 0.00 C ATOM 71 C THR A 5 103.587 118.506 -39.538 1.00 0.00 C ATOM 72 O THR A 5 104.393 119.041 -38.787 1.00 0.00 O ATOM 73 CB THR A 5 103.818 118.595 -42.017 1.00 0.00 C ATOM 74 OG1 THR A 5 103.924 117.860 -43.218 1.00 0.00 O ATOM 75 CG2 THR A 5 104.695 119.849 -42.018 1.00 0.00 C ATOM 0 H THR A 5 102.812 116.408 -41.852 1.00 0.00 H new ATOM 0 HA THR A 5 105.110 117.469 -40.647 1.00 0.00 H new ATOM 0 HB THR A 5 102.787 118.943 -41.959 1.00 0.00 H new ATOM 0 HG1 THR A 5 103.763 118.454 -43.980 1.00 0.00 H new ATOM 0 HG21 THR A 5 104.489 120.436 -42.913 1.00 0.00 H new ATOM 0 HG22 THR A 5 104.476 120.447 -41.133 1.00 0.00 H new ATOM 0 HG23 THR A 5 105.745 119.558 -42.009 1.00 0.00 H new ATOM 83 N TYR A 6 102.252 118.546 -39.371 1.00 0.00 N ATOM 84 CA TYR A 6 101.686 119.150 -38.170 1.00 0.00 C ATOM 85 C TYR A 6 102.095 118.381 -36.894 1.00 0.00 C ATOM 86 O TYR A 6 102.333 118.979 -35.854 1.00 0.00 O ATOM 87 CB TYR A 6 100.156 119.229 -38.275 1.00 0.00 C ATOM 88 CG TYR A 6 99.719 120.202 -39.343 1.00 0.00 C ATOM 89 CD1 TYR A 6 100.102 121.563 -39.253 1.00 0.00 C ATOM 90 CD2 TYR A 6 98.956 119.772 -40.459 1.00 0.00 C ATOM 91 CE1 TYR A 6 99.765 122.477 -40.283 1.00 0.00 C ATOM 92 CE2 TYR A 6 98.616 120.681 -41.491 1.00 0.00 C ATOM 93 CZ TYR A 6 99.022 122.035 -41.403 1.00 0.00 C ATOM 94 OH TYR A 6 98.694 122.921 -42.408 1.00 0.00 O ATOM 0 H TYR A 6 101.571 118.177 -40.035 1.00 0.00 H new ATOM 0 HA TYR A 6 102.089 120.160 -38.093 1.00 0.00 H new ATOM 0 HB2 TYR A 6 99.755 118.240 -38.498 1.00 0.00 H new ATOM 0 HB3 TYR A 6 99.741 119.533 -37.314 1.00 0.00 H new ATOM 0 HD1 TYR A 6 100.656 121.907 -38.392 1.00 0.00 H new ATOM 0 HD2 TYR A 6 98.632 118.744 -40.522 1.00 0.00 H new ATOM 0 HE1 TYR A 6 100.075 123.509 -40.213 1.00 0.00 H new ATOM 0 HE2 TYR A 6 98.048 120.342 -42.344 1.00 0.00 H new ATOM 0 HH TYR A 6 98.184 122.454 -43.102 1.00 0.00 H new ATOM 104 N ILE A 7 102.146 117.038 -37.022 1.00 0.00 N ATOM 105 CA ILE A 7 102.598 116.216 -35.906 1.00 0.00 C ATOM 106 C ILE A 7 104.038 116.566 -35.495 1.00 0.00 C ATOM 107 O ILE A 7 104.345 116.724 -34.321 1.00 0.00 O ATOM 108 CB ILE A 7 102.519 114.740 -36.295 1.00 0.00 C ATOM 109 CG1 ILE A 7 101.127 114.384 -36.818 1.00 0.00 C ATOM 110 CG2 ILE A 7 102.907 113.843 -35.120 1.00 0.00 C ATOM 111 CD1 ILE A 7 100.044 114.892 -35.873 1.00 0.00 C ATOM 0 H ILE A 7 101.886 116.523 -37.863 1.00 0.00 H new ATOM 0 HA ILE A 7 101.948 116.413 -35.054 1.00 0.00 H new ATOM 0 HB ILE A 7 103.234 114.568 -37.100 1.00 0.00 H new ATOM 0 HG12 ILE A 7 100.984 114.818 -37.808 1.00 0.00 H new ATOM 0 HG13 ILE A 7 101.041 113.303 -36.928 1.00 0.00 H new ATOM 0 HG21 ILE A 7 102.842 112.798 -35.423 1.00 0.00 H new ATOM 0 HG22 ILE A 7 103.928 114.069 -34.811 1.00 0.00 H new ATOM 0 HG23 ILE A 7 102.228 114.021 -34.286 1.00 0.00 H new ATOM 0 HD11 ILE A 7 99.063 114.626 -36.267 1.00 0.00 H new ATOM 0 HD12 ILE A 7 100.176 114.438 -34.891 1.00 0.00 H new ATOM 0 HD13 ILE A 7 100.118 115.976 -35.784 1.00 0.00 H new ATOM 123 N ILE A 8 104.895 116.670 -36.531 1.00 0.00 N ATOM 124 CA ILE A 8 106.252 117.142 -36.308 1.00 0.00 C ATOM 125 C ILE A 8 106.252 118.520 -35.621 1.00 0.00 C ATOM 126 O ILE A 8 106.910 118.725 -34.610 1.00 0.00 O ATOM 127 CB ILE A 8 106.979 117.241 -37.654 1.00 0.00 C ATOM 128 CG1 ILE A 8 106.995 115.903 -38.398 1.00 0.00 C ATOM 129 CG2 ILE A 8 108.406 117.761 -37.471 1.00 0.00 C ATOM 130 CD1 ILE A 8 107.233 116.088 -39.898 1.00 0.00 C ATOM 0 H ILE A 8 104.670 116.438 -37.498 1.00 0.00 H new ATOM 0 HA ILE A 8 106.764 116.434 -35.656 1.00 0.00 H new ATOM 0 HB ILE A 8 106.421 117.953 -38.263 1.00 0.00 H new ATOM 0 HG12 ILE A 8 107.775 115.266 -37.982 1.00 0.00 H new ATOM 0 HG13 ILE A 8 106.047 115.389 -38.241 1.00 0.00 H new ATOM 0 HG21 ILE A 8 108.899 117.821 -38.442 1.00 0.00 H new ATOM 0 HG22 ILE A 8 108.377 118.751 -37.017 1.00 0.00 H new ATOM 0 HG23 ILE A 8 108.961 117.081 -36.824 1.00 0.00 H new ATOM 0 HD11 ILE A 8 107.237 115.115 -40.389 1.00 0.00 H new ATOM 0 HD12 ILE A 8 106.438 116.703 -40.319 1.00 0.00 H new ATOM 0 HD13 ILE A 8 108.194 116.578 -40.056 1.00 0.00 H new ATOM 142 N LYS A 9 105.459 119.434 -36.216 1.00 0.00 N ATOM 143 CA LYS A 9 105.380 120.788 -35.691 1.00 0.00 C ATOM 144 C LYS A 9 104.993 120.800 -34.199 1.00 0.00 C ATOM 145 O LYS A 9 105.645 121.425 -33.373 1.00 0.00 O ATOM 146 CB LYS A 9 104.301 121.530 -36.476 1.00 0.00 C ATOM 147 CG LYS A 9 104.402 123.046 -36.317 1.00 0.00 C ATOM 148 CD LYS A 9 104.737 123.740 -37.638 1.00 0.00 C ATOM 149 CE LYS A 9 105.981 123.138 -38.299 1.00 0.00 C ATOM 150 NZ LYS A 9 105.746 122.706 -39.673 1.00 0.00 N ATOM 0 H LYS A 9 104.883 119.255 -37.038 1.00 0.00 H new ATOM 0 HA LYS A 9 106.357 121.261 -35.791 1.00 0.00 H new ATOM 0 HB2 LYS A 9 104.382 121.272 -37.532 1.00 0.00 H new ATOM 0 HB3 LYS A 9 103.319 121.197 -36.141 1.00 0.00 H new ATOM 0 HG2 LYS A 9 103.458 123.434 -35.933 1.00 0.00 H new ATOM 0 HG3 LYS A 9 105.168 123.283 -35.579 1.00 0.00 H new ATOM 0 HD2 LYS A 9 103.889 123.657 -38.317 1.00 0.00 H new ATOM 0 HD3 LYS A 9 104.899 124.803 -37.459 1.00 0.00 H new ATOM 0 HE2 LYS A 9 106.784 123.875 -38.288 1.00 0.00 H new ATOM 0 HE3 LYS A 9 106.322 122.287 -37.710 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 106.623 122.308 -40.067 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 105.000 121.981 -39.686 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 105.447 123.520 -40.247 1.00 0.00 H new ATOM 164 N ALA A 10 103.896 120.069 -33.920 1.00 0.00 N ATOM 165 CA ALA A 10 103.353 120.089 -32.572 1.00 0.00 C ATOM 166 C ALA A 10 104.313 119.424 -31.575 1.00 0.00 C ATOM 167 O ALA A 10 104.569 119.954 -30.501 1.00 0.00 O ATOM 168 CB ALA A 10 101.988 119.389 -32.538 1.00 0.00 C ATOM 0 H ALA A 10 103.394 119.484 -34.588 1.00 0.00 H new ATOM 0 HA ALA A 10 103.227 121.131 -32.277 1.00 0.00 H new ATOM 0 HB1 ALA A 10 101.593 119.411 -31.522 1.00 0.00 H new ATOM 0 HB2 ALA A 10 101.298 119.904 -33.207 1.00 0.00 H new ATOM 0 HB3 ALA A 10 102.102 118.354 -32.860 1.00 0.00 H new ATOM 174 N SER A 11 104.831 118.242 -31.979 1.00 0.00 N ATOM 175 CA SER A 11 105.816 117.585 -31.136 1.00 0.00 C ATOM 176 C SER A 11 106.951 118.530 -30.705 1.00 0.00 C ATOM 177 O SER A 11 107.220 118.687 -29.522 1.00 0.00 O ATOM 178 CB SER A 11 106.393 116.360 -31.862 1.00 0.00 C ATOM 179 OG SER A 11 107.513 115.761 -31.221 1.00 0.00 O ATOM 0 H SER A 11 104.590 117.755 -32.842 1.00 0.00 H new ATOM 0 HA SER A 11 105.304 117.269 -30.227 1.00 0.00 H new ATOM 0 HB2 SER A 11 105.607 115.612 -31.964 1.00 0.00 H new ATOM 0 HB3 SER A 11 106.684 116.656 -32.870 1.00 0.00 H new ATOM 0 HG SER A 11 107.253 114.891 -30.853 1.00 0.00 H new ATOM 185 N ASN A 12 107.565 119.134 -31.750 1.00 0.00 N ATOM 186 CA ASN A 12 108.563 120.204 -31.611 1.00 0.00 C ATOM 187 C ASN A 12 109.656 120.192 -32.705 1.00 0.00 C ATOM 188 O ASN A 12 110.746 120.710 -32.490 1.00 0.00 O ATOM 189 CB ASN A 12 109.287 120.201 -30.259 1.00 0.00 C ATOM 190 CG ASN A 12 110.034 118.883 -30.022 1.00 0.00 C ATOM 191 OD1 ASN A 12 109.557 117.979 -29.349 1.00 0.00 O ATOM 192 ND2 ASN A 12 111.245 118.850 -30.607 1.00 0.00 N ATOM 0 H ASN A 12 107.374 118.884 -32.720 1.00 0.00 H new ATOM 0 HA ASN A 12 107.954 121.103 -31.708 1.00 0.00 H new ATOM 0 HB2 ASN A 12 109.992 121.031 -30.221 1.00 0.00 H new ATOM 0 HB3 ASN A 12 108.565 120.360 -29.458 1.00 0.00 H new ATOM 0 HD21 ASN A 12 111.839 118.027 -30.504 1.00 0.00 H new ATOM 0 HD22 ASN A 12 111.569 119.648 -31.153 1.00 0.00 H new ATOM 199 N ASP A 13 109.336 119.600 -33.876 1.00 0.00 N ATOM 200 CA ASP A 13 110.359 118.929 -34.664 1.00 0.00 C ATOM 201 C ASP A 13 111.194 117.967 -33.808 1.00 0.00 C ATOM 202 O ASP A 13 112.398 118.127 -33.650 1.00 0.00 O ATOM 203 CB ASP A 13 111.261 119.971 -35.325 1.00 0.00 C ATOM 204 CG ASP A 13 110.458 120.804 -36.327 1.00 0.00 C ATOM 205 OD1 ASP A 13 110.227 120.327 -37.437 1.00 0.00 O ATOM 206 OD2 ASP A 13 110.073 121.920 -35.985 1.00 0.00 O ATOM 0 H ASP A 13 108.399 119.579 -34.278 1.00 0.00 H new ATOM 0 HA ASP A 13 109.863 118.335 -35.431 1.00 0.00 H new ATOM 0 HB2 ASP A 13 111.695 120.621 -34.566 1.00 0.00 H new ATOM 0 HB3 ASP A 13 112.089 119.477 -35.833 1.00 0.00 H new ATOM 211 N VAL A 14 110.473 116.964 -33.270 1.00 0.00 N ATOM 212 CA VAL A 14 111.054 115.630 -33.254 1.00 0.00 C ATOM 213 C VAL A 14 110.849 114.971 -34.621 1.00 0.00 C ATOM 214 O VAL A 14 111.793 114.699 -35.352 1.00 0.00 O ATOM 215 CB VAL A 14 110.404 114.800 -32.143 1.00 0.00 C ATOM 216 CG1 VAL A 14 110.807 113.326 -32.217 1.00 0.00 C ATOM 217 CG2 VAL A 14 110.749 115.372 -30.769 1.00 0.00 C ATOM 0 H VAL A 14 109.541 117.051 -32.865 1.00 0.00 H new ATOM 0 HA VAL A 14 112.124 115.692 -33.055 1.00 0.00 H new ATOM 0 HB VAL A 14 109.326 114.856 -32.291 1.00 0.00 H new ATOM 0 HG11 VAL A 14 110.323 112.775 -31.410 1.00 0.00 H new ATOM 0 HG12 VAL A 14 110.497 112.912 -33.176 1.00 0.00 H new ATOM 0 HG13 VAL A 14 111.889 113.239 -32.117 1.00 0.00 H new ATOM 0 HG21 VAL A 14 110.277 114.768 -29.994 1.00 0.00 H new ATOM 0 HG22 VAL A 14 111.830 115.360 -30.631 1.00 0.00 H new ATOM 0 HG23 VAL A 14 110.386 116.398 -30.700 1.00 0.00 H new ATOM 227 N LEU A 15 109.555 114.736 -34.911 1.00 0.00 N ATOM 228 CA LEU A 15 109.239 113.634 -35.801 1.00 0.00 C ATOM 229 C LEU A 15 109.806 113.919 -37.197 1.00 0.00 C ATOM 230 O LEU A 15 110.302 115.001 -37.487 1.00 0.00 O ATOM 231 CB LEU A 15 107.720 113.448 -35.900 1.00 0.00 C ATOM 232 CG LEU A 15 107.040 112.847 -34.663 1.00 0.00 C ATOM 233 CD1 LEU A 15 107.541 111.445 -34.315 1.00 0.00 C ATOM 234 CD2 LEU A 15 107.117 113.772 -33.448 1.00 0.00 C ATOM 0 H LEU A 15 108.760 115.269 -34.558 1.00 0.00 H new ATOM 0 HA LEU A 15 109.685 112.723 -35.401 1.00 0.00 H new ATOM 0 HB2 LEU A 15 107.267 114.418 -36.106 1.00 0.00 H new ATOM 0 HB3 LEU A 15 107.506 112.808 -36.756 1.00 0.00 H new ATOM 0 HG LEU A 15 105.990 112.745 -34.939 1.00 0.00 H new ATOM 0 HD11 LEU A 15 107.018 111.081 -33.431 1.00 0.00 H new ATOM 0 HD12 LEU A 15 107.351 110.773 -35.152 1.00 0.00 H new ATOM 0 HD13 LEU A 15 108.612 111.481 -34.114 1.00 0.00 H new ATOM 0 HD21 LEU A 15 106.621 113.300 -32.600 1.00 0.00 H new ATOM 0 HD22 LEU A 15 108.162 113.960 -33.199 1.00 0.00 H new ATOM 0 HD23 LEU A 15 106.623 114.716 -33.678 1.00 0.00 H new ATOM 246 N ASN A 16 109.695 112.871 -38.037 1.00 0.00 N ATOM 247 CA ASN A 16 109.675 113.094 -39.477 1.00 0.00 C ATOM 248 C ASN A 16 108.210 113.131 -39.947 1.00 0.00 C ATOM 249 O ASN A 16 107.299 113.361 -39.161 1.00 0.00 O ATOM 250 CB ASN A 16 110.484 111.989 -40.172 1.00 0.00 C ATOM 251 CG ASN A 16 111.953 112.057 -39.747 1.00 0.00 C ATOM 252 OD1 ASN A 16 112.407 111.332 -38.870 1.00 0.00 O ATOM 253 ND2 ASN A 16 112.656 112.978 -40.431 1.00 0.00 N ATOM 0 H ASN A 16 109.621 111.896 -37.746 1.00 0.00 H new ATOM 0 HA ASN A 16 110.137 114.047 -39.735 1.00 0.00 H new ATOM 0 HB2 ASN A 16 110.070 111.013 -39.919 1.00 0.00 H new ATOM 0 HB3 ASN A 16 110.406 112.098 -41.254 1.00 0.00 H new ATOM 0 HD21 ASN A 16 113.647 113.113 -40.233 1.00 0.00 H new ATOM 0 HD22 ASN A 16 112.198 113.541 -41.148 1.00 0.00 H new ATOM 260 N GLU A 17 108.032 112.895 -41.263 1.00 0.00 N ATOM 261 CA GLU A 17 106.798 112.264 -41.708 1.00 0.00 C ATOM 262 C GLU A 17 106.565 110.919 -40.996 1.00 0.00 C ATOM 263 O GLU A 17 105.542 110.699 -40.360 1.00 0.00 O ATOM 264 CB GLU A 17 106.849 112.048 -43.221 1.00 0.00 C ATOM 265 CG GLU A 17 106.921 113.375 -43.985 1.00 0.00 C ATOM 266 CD GLU A 17 108.349 113.658 -44.461 1.00 0.00 C ATOM 267 OE1 GLU A 17 109.288 113.208 -43.805 1.00 0.00 O ATOM 268 OE2 GLU A 17 108.506 114.325 -45.482 1.00 0.00 O ATOM 0 H GLU A 17 108.701 113.124 -41.998 1.00 0.00 H new ATOM 0 HA GLU A 17 105.968 112.925 -41.457 1.00 0.00 H new ATOM 0 HB2 GLU A 17 107.716 111.437 -43.472 1.00 0.00 H new ATOM 0 HB3 GLU A 17 105.966 111.493 -43.539 1.00 0.00 H new ATOM 0 HG2 GLU A 17 106.248 113.342 -44.842 1.00 0.00 H new ATOM 0 HG3 GLU A 17 106.580 114.187 -43.343 1.00 0.00 H new ATOM 275 N LYS A 18 107.576 110.046 -41.151 1.00 0.00 N ATOM 276 CA LYS A 18 107.310 108.625 -40.989 1.00 0.00 C ATOM 277 C LYS A 18 106.880 108.284 -39.551 1.00 0.00 C ATOM 278 O LYS A 18 105.881 107.610 -39.329 1.00 0.00 O ATOM 279 CB LYS A 18 108.569 107.838 -41.346 1.00 0.00 C ATOM 280 CG LYS A 18 108.953 108.022 -42.811 1.00 0.00 C ATOM 281 CD LYS A 18 109.966 106.972 -43.261 1.00 0.00 C ATOM 282 CE LYS A 18 110.699 107.393 -44.536 1.00 0.00 C ATOM 283 NZ LYS A 18 110.105 106.817 -45.736 1.00 0.00 N ATOM 0 H LYS A 18 108.539 110.293 -41.378 1.00 0.00 H new ATOM 0 HA LYS A 18 106.489 108.355 -41.653 1.00 0.00 H new ATOM 0 HB2 LYS A 18 109.393 108.162 -40.710 1.00 0.00 H new ATOM 0 HB3 LYS A 18 108.406 106.780 -41.143 1.00 0.00 H new ATOM 0 HG2 LYS A 18 108.060 107.957 -43.433 1.00 0.00 H new ATOM 0 HG3 LYS A 18 109.371 109.018 -42.956 1.00 0.00 H new ATOM 0 HD2 LYS A 18 110.691 106.803 -42.465 1.00 0.00 H new ATOM 0 HD3 LYS A 18 109.455 106.025 -43.433 1.00 0.00 H new ATOM 0 HE2 LYS A 18 110.689 108.480 -44.615 1.00 0.00 H new ATOM 0 HE3 LYS A 18 111.743 107.088 -44.469 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 110.162 107.503 -46.515 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 110.620 105.952 -45.998 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 109.108 106.584 -45.552 1.00 0.00 H new ATOM 297 N THR A 19 107.686 108.792 -38.598 1.00 0.00 N ATOM 298 CA THR A 19 107.322 108.617 -37.200 1.00 0.00 C ATOM 299 C THR A 19 106.029 109.365 -36.813 1.00 0.00 C ATOM 300 O THR A 19 105.269 108.906 -35.971 1.00 0.00 O ATOM 301 CB THR A 19 108.489 109.066 -36.315 1.00 0.00 C ATOM 302 OG1 THR A 19 108.772 110.433 -36.511 1.00 0.00 O ATOM 303 CG2 THR A 19 109.738 108.211 -36.553 1.00 0.00 C ATOM 0 H THR A 19 108.552 109.302 -38.769 1.00 0.00 H new ATOM 0 HA THR A 19 107.117 107.558 -37.044 1.00 0.00 H new ATOM 0 HB THR A 19 108.187 108.925 -35.277 1.00 0.00 H new ATOM 0 HG1 THR A 19 109.682 110.626 -36.202 1.00 0.00 H new ATOM 0 HG21 THR A 19 110.545 108.559 -35.908 1.00 0.00 H new ATOM 0 HG22 THR A 19 109.514 107.169 -36.325 1.00 0.00 H new ATOM 0 HG23 THR A 19 110.044 108.297 -37.596 1.00 0.00 H new ATOM 311 N ALA A 20 105.822 110.532 -37.452 1.00 0.00 N ATOM 312 CA ALA A 20 104.608 111.279 -37.172 1.00 0.00 C ATOM 313 C ALA A 20 103.340 110.486 -37.545 1.00 0.00 C ATOM 314 O ALA A 20 102.391 110.420 -36.774 1.00 0.00 O ATOM 315 CB ALA A 20 104.653 112.578 -37.984 1.00 0.00 C ATOM 0 H ALA A 20 106.454 110.953 -38.133 1.00 0.00 H new ATOM 0 HA ALA A 20 104.561 111.480 -36.102 1.00 0.00 H new ATOM 0 HB1 ALA A 20 103.751 113.159 -37.792 1.00 0.00 H new ATOM 0 HB2 ALA A 20 105.528 113.159 -37.693 1.00 0.00 H new ATOM 0 HB3 ALA A 20 104.712 112.341 -39.046 1.00 0.00 H new ATOM 321 N THR A 21 103.371 109.891 -38.754 1.00 0.00 N ATOM 322 CA THR A 21 102.222 109.084 -39.161 1.00 0.00 C ATOM 323 C THR A 21 102.059 107.805 -38.309 1.00 0.00 C ATOM 324 O THR A 21 100.952 107.387 -37.993 1.00 0.00 O ATOM 325 CB THR A 21 102.295 108.779 -40.666 1.00 0.00 C ATOM 326 OG1 THR A 21 101.004 108.633 -41.216 1.00 0.00 O ATOM 327 CG2 THR A 21 103.189 107.590 -41.028 1.00 0.00 C ATOM 0 H THR A 21 104.135 109.951 -39.427 1.00 0.00 H new ATOM 0 HA THR A 21 101.322 109.670 -38.976 1.00 0.00 H new ATOM 0 HB THR A 21 102.777 109.647 -41.115 1.00 0.00 H new ATOM 0 HG1 THR A 21 101.076 108.441 -42.174 1.00 0.00 H new ATOM 0 HG21 THR A 21 103.183 107.446 -42.108 1.00 0.00 H new ATOM 0 HG22 THR A 21 104.208 107.786 -40.694 1.00 0.00 H new ATOM 0 HG23 THR A 21 102.814 106.691 -40.540 1.00 0.00 H new ATOM 335 N ILE A 22 103.217 107.211 -37.971 1.00 0.00 N ATOM 336 CA ILE A 22 103.218 105.949 -37.244 1.00 0.00 C ATOM 337 C ILE A 22 102.718 106.133 -35.799 1.00 0.00 C ATOM 338 O ILE A 22 101.830 105.427 -35.334 1.00 0.00 O ATOM 339 CB ILE A 22 104.651 105.417 -37.240 1.00 0.00 C ATOM 340 CG1 ILE A 22 105.125 105.108 -38.666 1.00 0.00 C ATOM 341 CG2 ILE A 22 104.835 104.225 -36.291 1.00 0.00 C ATOM 342 CD1 ILE A 22 104.974 103.634 -39.049 1.00 0.00 C ATOM 0 H ILE A 22 104.142 107.582 -38.188 1.00 0.00 H new ATOM 0 HA ILE A 22 102.543 105.245 -37.731 1.00 0.00 H new ATOM 0 HB ILE A 22 105.289 106.208 -36.846 1.00 0.00 H new ATOM 0 HG12 ILE A 22 104.559 105.719 -39.370 1.00 0.00 H new ATOM 0 HG13 ILE A 22 106.172 105.396 -38.764 1.00 0.00 H new ATOM 0 HG21 ILE A 22 105.871 103.887 -36.328 1.00 0.00 H new ATOM 0 HG22 ILE A 22 104.588 104.528 -35.274 1.00 0.00 H new ATOM 0 HG23 ILE A 22 104.177 103.412 -36.597 1.00 0.00 H new ATOM 0 HD11 ILE A 22 105.328 103.485 -40.069 1.00 0.00 H new ATOM 0 HD12 ILE A 22 105.562 103.019 -38.368 1.00 0.00 H new ATOM 0 HD13 ILE A 22 103.925 103.347 -38.983 1.00 0.00 H new ATOM 354 N LEU A 23 103.343 107.122 -35.129 1.00 0.00 N ATOM 355 CA LEU A 23 102.882 107.522 -33.806 1.00 0.00 C ATOM 356 C LEU A 23 101.367 107.821 -33.788 1.00 0.00 C ATOM 357 O LEU A 23 100.677 107.502 -32.831 1.00 0.00 O ATOM 358 CB LEU A 23 103.675 108.764 -33.364 1.00 0.00 C ATOM 359 CG LEU A 23 103.049 109.556 -32.210 1.00 0.00 C ATOM 360 CD1 LEU A 23 102.928 108.689 -30.956 1.00 0.00 C ATOM 361 CD2 LEU A 23 103.856 110.825 -31.922 1.00 0.00 C ATOM 0 H LEU A 23 104.148 107.641 -35.480 1.00 0.00 H new ATOM 0 HA LEU A 23 103.051 106.697 -33.114 1.00 0.00 H new ATOM 0 HB2 LEU A 23 104.676 108.451 -33.069 1.00 0.00 H new ATOM 0 HB3 LEU A 23 103.788 109.428 -34.221 1.00 0.00 H new ATOM 0 HG LEU A 23 102.044 109.855 -32.510 1.00 0.00 H new ATOM 0 HD11 LEU A 23 102.481 109.273 -30.151 1.00 0.00 H new ATOM 0 HD12 LEU A 23 102.298 107.825 -31.170 1.00 0.00 H new ATOM 0 HD13 LEU A 23 103.918 108.350 -30.651 1.00 0.00 H new ATOM 0 HD21 LEU A 23 103.394 111.371 -31.100 1.00 0.00 H new ATOM 0 HD22 LEU A 23 104.876 110.554 -31.649 1.00 0.00 H new ATOM 0 HD23 LEU A 23 103.874 111.455 -32.812 1.00 0.00 H new ATOM 373 N ILE A 24 100.905 108.462 -34.878 1.00 0.00 N ATOM 374 CA ILE A 24 99.485 108.727 -34.990 1.00 0.00 C ATOM 375 C ILE A 24 98.668 107.424 -35.005 1.00 0.00 C ATOM 376 O ILE A 24 97.687 107.279 -34.289 1.00 0.00 O ATOM 377 CB ILE A 24 99.260 109.570 -36.240 1.00 0.00 C ATOM 378 CG1 ILE A 24 99.830 110.962 -35.984 1.00 0.00 C ATOM 379 CG2 ILE A 24 97.791 109.607 -36.675 1.00 0.00 C ATOM 380 CD1 ILE A 24 98.801 111.893 -35.344 1.00 0.00 C ATOM 0 H ILE A 24 101.478 108.789 -35.656 1.00 0.00 H new ATOM 0 HA ILE A 24 99.136 109.280 -34.118 1.00 0.00 H new ATOM 0 HB ILE A 24 99.782 109.112 -37.080 1.00 0.00 H new ATOM 0 HG12 ILE A 24 100.701 110.883 -35.334 1.00 0.00 H new ATOM 0 HG13 ILE A 24 100.172 111.392 -36.925 1.00 0.00 H new ATOM 0 HG21 ILE A 24 97.692 110.222 -37.570 1.00 0.00 H new ATOM 0 HG22 ILE A 24 97.450 108.595 -36.891 1.00 0.00 H new ATOM 0 HG23 ILE A 24 97.185 110.031 -35.874 1.00 0.00 H new ATOM 0 HD11 ILE A 24 99.249 112.873 -35.179 1.00 0.00 H new ATOM 0 HD12 ILE A 24 97.941 111.994 -36.006 1.00 0.00 H new ATOM 0 HD13 ILE A 24 98.478 111.477 -34.390 1.00 0.00 H new ATOM 392 N THR A 25 99.125 106.498 -35.866 1.00 0.00 N ATOM 393 CA THR A 25 98.340 105.296 -36.088 1.00 0.00 C ATOM 394 C THR A 25 98.162 104.491 -34.784 1.00 0.00 C ATOM 395 O THR A 25 97.062 104.065 -34.452 1.00 0.00 O ATOM 396 CB THR A 25 99.005 104.432 -37.168 1.00 0.00 C ATOM 397 OG1 THR A 25 99.754 105.194 -38.092 1.00 0.00 O ATOM 398 CG2 THR A 25 97.976 103.581 -37.909 1.00 0.00 C ATOM 0 H THR A 25 99.996 106.561 -36.393 1.00 0.00 H new ATOM 0 HA THR A 25 97.348 105.593 -36.428 1.00 0.00 H new ATOM 0 HB THR A 25 99.700 103.776 -36.644 1.00 0.00 H new ATOM 0 HG1 THR A 25 100.158 104.598 -38.757 1.00 0.00 H new ATOM 0 HG21 THR A 25 98.479 102.981 -38.667 1.00 0.00 H new ATOM 0 HG22 THR A 25 97.471 102.923 -37.202 1.00 0.00 H new ATOM 0 HG23 THR A 25 97.243 104.231 -38.388 1.00 0.00 H new ATOM 406 N ILE A 26 99.292 104.308 -34.069 1.00 0.00 N ATOM 407 CA ILE A 26 99.189 103.792 -32.708 1.00 0.00 C ATOM 408 C ILE A 26 98.316 104.700 -31.821 1.00 0.00 C ATOM 409 O ILE A 26 97.400 104.252 -31.143 1.00 0.00 O ATOM 410 CB ILE A 26 100.582 103.698 -32.081 1.00 0.00 C ATOM 411 CG1 ILE A 26 101.560 102.870 -32.922 1.00 0.00 C ATOM 412 CG2 ILE A 26 100.497 103.160 -30.652 1.00 0.00 C ATOM 413 CD1 ILE A 26 102.956 103.487 -32.894 1.00 0.00 C ATOM 0 H ILE A 26 100.238 104.502 -34.399 1.00 0.00 H new ATOM 0 HA ILE A 26 98.726 102.807 -32.767 1.00 0.00 H new ATOM 0 HB ILE A 26 100.982 104.712 -32.052 1.00 0.00 H new ATOM 0 HG12 ILE A 26 101.601 101.850 -32.541 1.00 0.00 H new ATOM 0 HG13 ILE A 26 101.204 102.812 -33.950 1.00 0.00 H new ATOM 0 HG21 ILE A 26 101.498 103.101 -30.225 1.00 0.00 H new ATOM 0 HG22 ILE A 26 99.883 103.828 -30.048 1.00 0.00 H new ATOM 0 HG23 ILE A 26 100.049 102.167 -30.663 1.00 0.00 H new ATOM 0 HD11 ILE A 26 103.633 102.883 -33.498 1.00 0.00 H new ATOM 0 HD12 ILE A 26 102.915 104.499 -33.298 1.00 0.00 H new ATOM 0 HD13 ILE A 26 103.318 103.521 -31.867 1.00 0.00 H new ATOM 425 N ALA A 27 98.670 105.996 -31.883 1.00 0.00 N ATOM 426 CA ALA A 27 98.108 106.960 -30.940 1.00 0.00 C ATOM 427 C ALA A 27 96.569 106.920 -30.904 1.00 0.00 C ATOM 428 O ALA A 27 95.958 106.890 -29.842 1.00 0.00 O ATOM 429 CB ALA A 27 98.535 108.365 -31.365 1.00 0.00 C ATOM 0 H ALA A 27 99.326 106.386 -32.560 1.00 0.00 H new ATOM 0 HA ALA A 27 98.478 106.703 -29.947 1.00 0.00 H new ATOM 0 HB1 ALA A 27 98.123 109.096 -30.670 1.00 0.00 H new ATOM 0 HB2 ALA A 27 99.623 108.432 -31.359 1.00 0.00 H new ATOM 0 HB3 ALA A 27 98.164 108.570 -32.369 1.00 0.00 H new ATOM 435 N LYS A 28 95.986 106.922 -32.120 1.00 0.00 N ATOM 436 CA LYS A 28 94.551 106.720 -32.255 1.00 0.00 C ATOM 437 C LYS A 28 94.107 105.425 -31.556 1.00 0.00 C ATOM 438 O LYS A 28 93.260 105.422 -30.672 1.00 0.00 O ATOM 439 CB LYS A 28 94.168 106.684 -33.743 1.00 0.00 C ATOM 440 CG LYS A 28 92.854 107.422 -34.004 1.00 0.00 C ATOM 441 CD LYS A 28 91.653 106.677 -33.421 1.00 0.00 C ATOM 442 CE LYS A 28 91.270 105.460 -34.264 1.00 0.00 C ATOM 443 NZ LYS A 28 90.289 105.784 -35.293 1.00 0.00 N ATOM 0 H LYS A 28 96.485 107.059 -32.999 1.00 0.00 H new ATOM 0 HA LYS A 28 94.038 107.553 -31.773 1.00 0.00 H new ATOM 0 HB2 LYS A 28 94.964 107.136 -34.335 1.00 0.00 H new ATOM 0 HB3 LYS A 28 94.076 105.649 -34.071 1.00 0.00 H new ATOM 0 HG2 LYS A 28 92.907 108.421 -33.570 1.00 0.00 H new ATOM 0 HG3 LYS A 28 92.716 107.548 -35.078 1.00 0.00 H new ATOM 0 HD2 LYS A 28 91.884 106.356 -32.405 1.00 0.00 H new ATOM 0 HD3 LYS A 28 90.802 107.355 -33.356 1.00 0.00 H new ATOM 0 HE2 LYS A 28 92.164 105.051 -34.734 1.00 0.00 H new ATOM 0 HE3 LYS A 28 90.868 104.683 -33.614 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 90.061 104.928 -35.838 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 89.424 106.150 -34.845 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 90.681 106.506 -35.931 1.00 0.00 H new ATOM 457 N LYS A 29 94.745 104.335 -32.023 1.00 0.00 N ATOM 458 CA LYS A 29 94.224 103.008 -31.764 1.00 0.00 C ATOM 459 C LYS A 29 94.876 102.440 -30.495 1.00 0.00 C ATOM 460 O LYS A 29 96.087 102.286 -30.403 1.00 0.00 O ATOM 461 CB LYS A 29 94.550 102.107 -32.949 1.00 0.00 C ATOM 462 CG LYS A 29 93.926 100.730 -32.779 1.00 0.00 C ATOM 463 CD LYS A 29 94.145 99.873 -34.021 1.00 0.00 C ATOM 464 CE LYS A 29 92.980 99.978 -35.006 1.00 0.00 C ATOM 465 NZ LYS A 29 91.736 99.463 -34.450 1.00 0.00 N ATOM 0 H LYS A 29 95.605 104.360 -32.570 1.00 0.00 H new ATOM 0 HA LYS A 29 93.144 103.057 -31.623 1.00 0.00 H new ATOM 0 HB2 LYS A 29 94.184 102.564 -33.869 1.00 0.00 H new ATOM 0 HB3 LYS A 29 95.631 102.010 -33.049 1.00 0.00 H new ATOM 0 HG2 LYS A 29 94.360 100.235 -31.910 1.00 0.00 H new ATOM 0 HG3 LYS A 29 92.858 100.832 -32.587 1.00 0.00 H new ATOM 0 HD2 LYS A 29 95.066 100.181 -34.516 1.00 0.00 H new ATOM 0 HD3 LYS A 29 94.275 98.832 -33.724 1.00 0.00 H new ATOM 0 HE2 LYS A 29 92.843 101.021 -35.293 1.00 0.00 H new ATOM 0 HE3 LYS A 29 93.225 99.427 -35.914 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 91.110 99.159 -35.223 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 91.941 98.653 -33.831 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 91.267 100.210 -33.898 1.00 0.00 H new ATOM 479 N ASP A 30 93.984 102.144 -29.533 1.00 0.00 N ATOM 480 CA ASP A 30 94.407 101.705 -28.220 1.00 0.00 C ATOM 481 C ASP A 30 94.449 100.172 -28.176 1.00 0.00 C ATOM 482 O ASP A 30 93.424 99.503 -28.157 1.00 0.00 O ATOM 483 CB ASP A 30 93.407 102.218 -27.188 1.00 0.00 C ATOM 484 CG ASP A 30 93.489 103.743 -27.093 1.00 0.00 C ATOM 485 OD1 ASP A 30 94.599 104.272 -27.082 1.00 0.00 O ATOM 486 OD2 ASP A 30 92.440 104.384 -27.030 1.00 0.00 O ATOM 0 H ASP A 30 92.973 102.205 -29.653 1.00 0.00 H new ATOM 0 HA ASP A 30 95.402 102.094 -28.002 1.00 0.00 H new ATOM 0 HB2 ASP A 30 92.397 101.917 -27.467 1.00 0.00 H new ATOM 0 HB3 ASP A 30 93.615 101.773 -26.215 1.00 0.00 H new ATOM 491 N PHE A 31 95.699 99.673 -28.159 1.00 0.00 N ATOM 492 CA PHE A 31 95.932 98.288 -28.554 1.00 0.00 C ATOM 493 C PHE A 31 95.533 98.102 -30.026 1.00 0.00 C ATOM 494 O PHE A 31 94.676 97.296 -30.368 1.00 0.00 O ATOM 495 CB PHE A 31 95.154 97.278 -27.679 1.00 0.00 C ATOM 496 CG PHE A 31 95.291 97.433 -26.177 1.00 0.00 C ATOM 497 CD1 PHE A 31 96.384 98.128 -25.588 1.00 0.00 C ATOM 498 CD2 PHE A 31 94.299 96.879 -25.326 1.00 0.00 C ATOM 499 CE1 PHE A 31 96.465 98.287 -24.184 1.00 0.00 C ATOM 500 CE2 PHE A 31 94.384 97.025 -23.920 1.00 0.00 C ATOM 501 CZ PHE A 31 95.468 97.733 -23.348 1.00 0.00 C ATOM 0 H PHE A 31 96.532 100.194 -27.885 1.00 0.00 H new ATOM 0 HA PHE A 31 96.994 98.086 -28.414 1.00 0.00 H new ATOM 0 HB2 PHE A 31 94.097 97.350 -27.934 1.00 0.00 H new ATOM 0 HB3 PHE A 31 95.479 96.273 -27.949 1.00 0.00 H new ATOM 0 HD1 PHE A 31 97.159 98.538 -26.218 1.00 0.00 H new ATOM 0 HD2 PHE A 31 93.469 96.339 -25.756 1.00 0.00 H new ATOM 0 HE1 PHE A 31 97.290 98.833 -23.750 1.00 0.00 H new ATOM 0 HE2 PHE A 31 93.623 96.597 -23.285 1.00 0.00 H new ATOM 0 HZ PHE A 31 95.533 97.850 -22.276 1.00 0.00 H new ATOM 511 N ILE A 32 96.217 98.907 -30.866 1.00 0.00 N ATOM 512 CA ILE A 32 96.822 98.417 -32.089 1.00 0.00 C ATOM 513 C ILE A 32 97.719 97.203 -31.800 1.00 0.00 C ATOM 514 O ILE A 32 97.597 96.544 -30.776 1.00 0.00 O ATOM 515 CB ILE A 32 97.568 99.587 -32.761 1.00 0.00 C ATOM 516 CG1 ILE A 32 97.626 99.376 -34.270 1.00 0.00 C ATOM 517 CG2 ILE A 32 98.963 99.825 -32.176 1.00 0.00 C ATOM 518 CD1 ILE A 32 97.764 100.698 -35.021 1.00 0.00 C ATOM 0 H ILE A 32 96.356 99.904 -30.704 1.00 0.00 H new ATOM 0 HA ILE A 32 96.063 98.059 -32.784 1.00 0.00 H new ATOM 0 HB ILE A 32 97.000 100.493 -32.551 1.00 0.00 H new ATOM 0 HG12 ILE A 32 98.468 98.729 -34.515 1.00 0.00 H new ATOM 0 HG13 ILE A 32 96.723 98.862 -34.600 1.00 0.00 H new ATOM 0 HG21 ILE A 32 99.436 100.661 -32.691 1.00 0.00 H new ATOM 0 HG22 ILE A 32 98.878 100.055 -31.114 1.00 0.00 H new ATOM 0 HG23 ILE A 32 99.570 98.929 -32.306 1.00 0.00 H new ATOM 0 HD11 ILE A 32 97.802 100.505 -36.093 1.00 0.00 H new ATOM 0 HD12 ILE A 32 96.908 101.335 -34.797 1.00 0.00 H new ATOM 0 HD13 ILE A 32 98.681 101.199 -34.710 1.00 0.00 H new ATOM 530 N THR A 33 98.616 96.943 -32.764 1.00 0.00 N ATOM 531 CA THR A 33 99.965 96.543 -32.388 1.00 0.00 C ATOM 532 C THR A 33 100.955 97.148 -33.391 1.00 0.00 C ATOM 533 O THR A 33 100.591 97.910 -34.280 1.00 0.00 O ATOM 534 CB THR A 33 100.074 95.006 -32.335 1.00 0.00 C ATOM 535 OG1 THR A 33 100.200 94.415 -33.609 1.00 0.00 O ATOM 536 CG2 THR A 33 98.909 94.353 -31.578 1.00 0.00 C ATOM 0 H THR A 33 98.436 97.001 -33.766 1.00 0.00 H new ATOM 0 HA THR A 33 100.203 96.915 -31.392 1.00 0.00 H new ATOM 0 HB THR A 33 100.994 94.817 -31.782 1.00 0.00 H new ATOM 0 HG1 THR A 33 99.311 94.194 -33.957 1.00 0.00 H new ATOM 0 HG21 THR A 33 99.039 93.271 -31.573 1.00 0.00 H new ATOM 0 HG22 THR A 33 98.890 94.721 -30.552 1.00 0.00 H new ATOM 0 HG23 THR A 33 97.969 94.603 -32.071 1.00 0.00 H new ATOM 544 N ALA A 34 102.230 96.763 -33.200 1.00 0.00 N ATOM 545 CA ALA A 34 103.160 96.885 -34.318 1.00 0.00 C ATOM 546 C ALA A 34 102.652 96.166 -35.588 1.00 0.00 C ATOM 547 O ALA A 34 102.725 96.693 -36.690 1.00 0.00 O ATOM 548 CB ALA A 34 104.523 96.325 -33.912 1.00 0.00 C ATOM 0 H ALA A 34 102.616 96.387 -32.334 1.00 0.00 H new ATOM 0 HA ALA A 34 103.246 97.944 -34.561 1.00 0.00 H new ATOM 0 HB1 ALA A 34 105.217 96.416 -34.747 1.00 0.00 H new ATOM 0 HB2 ALA A 34 104.907 96.884 -33.059 1.00 0.00 H new ATOM 0 HB3 ALA A 34 104.418 95.275 -33.640 1.00 0.00 H new ATOM 554 N ALA A 35 102.135 94.945 -35.355 1.00 0.00 N ATOM 555 CA ALA A 35 101.632 94.126 -36.448 1.00 0.00 C ATOM 556 C ALA A 35 100.570 94.870 -37.282 1.00 0.00 C ATOM 557 O ALA A 35 100.650 94.920 -38.503 1.00 0.00 O ATOM 558 CB ALA A 35 101.059 92.814 -35.891 1.00 0.00 C ATOM 0 H ALA A 35 102.060 94.519 -34.431 1.00 0.00 H new ATOM 0 HA ALA A 35 102.465 93.903 -37.114 1.00 0.00 H new ATOM 0 HB1 ALA A 35 100.683 92.203 -36.712 1.00 0.00 H new ATOM 0 HB2 ALA A 35 101.842 92.270 -35.363 1.00 0.00 H new ATOM 0 HB3 ALA A 35 100.244 93.036 -35.202 1.00 0.00 H new ATOM 564 N GLU A 36 99.578 95.440 -36.567 1.00 0.00 N ATOM 565 CA GLU A 36 98.578 96.210 -37.290 1.00 0.00 C ATOM 566 C GLU A 36 99.191 97.423 -38.014 1.00 0.00 C ATOM 567 O GLU A 36 98.839 97.711 -39.150 1.00 0.00 O ATOM 568 CB GLU A 36 97.448 96.660 -36.355 1.00 0.00 C ATOM 569 CG GLU A 36 96.082 96.348 -36.958 1.00 0.00 C ATOM 570 CD GLU A 36 94.971 96.780 -35.998 1.00 0.00 C ATOM 571 OE1 GLU A 36 95.170 96.686 -34.788 1.00 0.00 O ATOM 572 OE2 GLU A 36 93.919 97.206 -36.474 1.00 0.00 O ATOM 0 H GLU A 36 99.459 95.383 -35.556 1.00 0.00 H new ATOM 0 HA GLU A 36 98.161 95.550 -38.051 1.00 0.00 H new ATOM 0 HB2 GLU A 36 97.547 96.159 -35.392 1.00 0.00 H new ATOM 0 HB3 GLU A 36 97.531 97.731 -36.168 1.00 0.00 H new ATOM 0 HG2 GLU A 36 95.970 96.864 -37.911 1.00 0.00 H new ATOM 0 HG3 GLU A 36 96.002 95.280 -37.162 1.00 0.00 H new ATOM 579 N VAL A 37 100.115 98.116 -37.316 1.00 0.00 N ATOM 580 CA VAL A 37 100.701 99.288 -37.953 1.00 0.00 C ATOM 581 C VAL A 37 101.421 98.927 -39.274 1.00 0.00 C ATOM 582 O VAL A 37 101.323 99.648 -40.258 1.00 0.00 O ATOM 583 CB VAL A 37 101.679 99.963 -36.984 1.00 0.00 C ATOM 584 CG1 VAL A 37 102.407 101.125 -37.666 1.00 0.00 C ATOM 585 CG2 VAL A 37 100.973 100.447 -35.714 1.00 0.00 C ATOM 0 H VAL A 37 100.447 97.897 -36.377 1.00 0.00 H new ATOM 0 HA VAL A 37 99.893 99.977 -38.201 1.00 0.00 H new ATOM 0 HB VAL A 37 102.415 99.214 -36.691 1.00 0.00 H new ATOM 0 HG11 VAL A 37 103.095 101.588 -36.959 1.00 0.00 H new ATOM 0 HG12 VAL A 37 102.965 100.751 -38.524 1.00 0.00 H new ATOM 0 HG13 VAL A 37 101.679 101.864 -38.001 1.00 0.00 H new ATOM 0 HG21 VAL A 37 101.699 100.920 -35.052 1.00 0.00 H new ATOM 0 HG22 VAL A 37 100.200 101.168 -35.980 1.00 0.00 H new ATOM 0 HG23 VAL A 37 100.517 99.598 -35.205 1.00 0.00 H new ATOM 595 N ARG A 38 102.143 97.786 -39.245 1.00 0.00 N ATOM 596 CA ARG A 38 102.613 97.202 -40.492 1.00 0.00 C ATOM 597 C ARG A 38 101.475 96.996 -41.516 1.00 0.00 C ATOM 598 O ARG A 38 101.614 97.303 -42.694 1.00 0.00 O ATOM 599 CB ARG A 38 103.285 95.868 -40.192 1.00 0.00 C ATOM 600 CG ARG A 38 104.487 96.025 -39.262 1.00 0.00 C ATOM 601 CD ARG A 38 105.631 95.083 -39.638 1.00 0.00 C ATOM 602 NE ARG A 38 106.608 95.043 -38.561 1.00 0.00 N ATOM 603 CZ ARG A 38 107.191 93.875 -38.228 1.00 0.00 C ATOM 604 NH1 ARG A 38 108.136 93.357 -39.006 1.00 0.00 N ATOM 605 NH2 ARG A 38 106.819 93.241 -37.119 1.00 0.00 N ATOM 0 H ARG A 38 102.399 97.277 -38.399 1.00 0.00 H new ATOM 0 HA ARG A 38 103.322 97.898 -40.940 1.00 0.00 H new ATOM 0 HB2 ARG A 38 102.561 95.192 -39.737 1.00 0.00 H new ATOM 0 HB3 ARG A 38 103.608 95.407 -41.126 1.00 0.00 H new ATOM 0 HG2 ARG A 38 104.840 97.056 -39.297 1.00 0.00 H new ATOM 0 HG3 ARG A 38 104.179 95.829 -38.235 1.00 0.00 H new ATOM 0 HD2 ARG A 38 105.243 94.082 -39.827 1.00 0.00 H new ATOM 0 HD3 ARG A 38 106.105 95.421 -40.560 1.00 0.00 H new ATOM 0 HE ARG A 38 106.851 95.897 -38.059 1.00 0.00 H new ATOM 0 HH11 ARG A 38 108.420 93.844 -39.856 1.00 0.00 H new ATOM 0 HH12 ARG A 38 108.577 92.473 -38.753 1.00 0.00 H new ATOM 0 HH21 ARG A 38 106.094 93.639 -36.523 1.00 0.00 H new ATOM 0 HH22 ARG A 38 107.259 92.357 -36.865 1.00 0.00 H new ATOM 619 N GLU A 39 100.354 96.457 -40.998 1.00 0.00 N ATOM 620 CA GLU A 39 99.300 96.007 -41.896 1.00 0.00 C ATOM 621 C GLU A 39 98.566 97.186 -42.568 1.00 0.00 C ATOM 622 O GLU A 39 98.249 97.148 -43.751 1.00 0.00 O ATOM 623 CB GLU A 39 98.304 95.173 -41.096 1.00 0.00 C ATOM 624 CG GLU A 39 98.959 93.919 -40.519 1.00 0.00 C ATOM 625 CD GLU A 39 98.436 92.647 -41.195 1.00 0.00 C ATOM 626 OE1 GLU A 39 98.142 92.694 -42.388 1.00 0.00 O ATOM 627 OE2 GLU A 39 98.329 91.624 -40.519 1.00 0.00 O ATOM 0 H GLU A 39 100.168 96.330 -40.003 1.00 0.00 H new ATOM 0 HA GLU A 39 99.755 95.415 -42.690 1.00 0.00 H new ATOM 0 HB2 GLU A 39 97.892 95.775 -40.286 1.00 0.00 H new ATOM 0 HB3 GLU A 39 97.470 94.887 -41.737 1.00 0.00 H new ATOM 0 HG2 GLU A 39 100.040 93.981 -40.646 1.00 0.00 H new ATOM 0 HG3 GLU A 39 98.767 93.868 -39.447 1.00 0.00 H new ATOM 634 N VAL A 40 98.320 98.223 -41.742 1.00 0.00 N ATOM 635 CA VAL A 40 97.450 99.317 -42.152 1.00 0.00 C ATOM 636 C VAL A 40 98.184 100.425 -42.931 1.00 0.00 C ATOM 637 O VAL A 40 97.545 101.324 -43.462 1.00 0.00 O ATOM 638 CB VAL A 40 96.807 99.946 -40.914 1.00 0.00 C ATOM 639 CG1 VAL A 40 97.865 100.386 -39.899 1.00 0.00 C ATOM 640 CG2 VAL A 40 95.910 101.126 -41.300 1.00 0.00 C ATOM 0 H VAL A 40 98.710 98.316 -40.804 1.00 0.00 H new ATOM 0 HA VAL A 40 96.704 98.884 -42.819 1.00 0.00 H new ATOM 0 HB VAL A 40 96.187 99.183 -40.444 1.00 0.00 H new ATOM 0 HG11 VAL A 40 97.375 100.829 -39.032 1.00 0.00 H new ATOM 0 HG12 VAL A 40 98.449 99.521 -39.584 1.00 0.00 H new ATOM 0 HG13 VAL A 40 98.525 101.122 -40.358 1.00 0.00 H new ATOM 0 HG21 VAL A 40 95.466 101.554 -40.402 1.00 0.00 H new ATOM 0 HG22 VAL A 40 96.505 101.885 -41.808 1.00 0.00 H new ATOM 0 HG23 VAL A 40 95.120 100.780 -41.966 1.00 0.00 H new ATOM 650 N HIS A 41 99.530 100.354 -42.965 1.00 0.00 N ATOM 651 CA HIS A 41 100.208 101.094 -44.000 1.00 0.00 C ATOM 652 C HIS A 41 99.876 100.489 -45.383 1.00 0.00 C ATOM 653 O HIS A 41 100.076 99.306 -45.628 1.00 0.00 O ATOM 654 CB HIS A 41 101.696 101.232 -43.633 1.00 0.00 C ATOM 655 CG HIS A 41 102.639 100.221 -44.252 1.00 0.00 C ATOM 656 ND1 HIS A 41 102.873 100.129 -45.579 1.00 0.00 N ATOM 657 CD2 HIS A 41 103.458 99.292 -43.591 1.00 0.00 C ATOM 658 CE1 HIS A 41 103.810 99.175 -45.716 1.00 0.00 C ATOM 659 NE2 HIS A 41 104.181 98.649 -44.535 1.00 0.00 N ATOM 0 H HIS A 41 100.121 99.824 -42.325 1.00 0.00 H new ATOM 0 HA HIS A 41 99.853 102.121 -44.078 1.00 0.00 H new ATOM 0 HB2 HIS A 41 102.028 102.230 -43.921 1.00 0.00 H new ATOM 0 HB3 HIS A 41 101.788 101.166 -42.549 1.00 0.00 H new ATOM 0 HD2 HIS A 41 103.502 99.122 -42.525 1.00 0.00 H new ATOM 0 HE1 HIS A 41 104.219 98.866 -46.667 1.00 0.00 H new ATOM 0 HE2 HIS A 41 104.870 97.912 -44.382 1.00 0.00 H new ATOM 667 N PRO A 42 99.358 101.371 -46.268 1.00 0.00 N ATOM 668 CA PRO A 42 99.888 101.511 -47.614 1.00 0.00 C ATOM 669 C PRO A 42 101.324 102.036 -47.600 1.00 0.00 C ATOM 670 O PRO A 42 102.263 101.368 -48.015 1.00 0.00 O ATOM 671 CB PRO A 42 98.955 102.495 -48.326 1.00 0.00 C ATOM 672 CG PRO A 42 97.925 102.953 -47.289 1.00 0.00 C ATOM 673 CD PRO A 42 98.201 102.206 -45.985 1.00 0.00 C ATOM 0 HA PRO A 42 99.926 100.548 -48.123 1.00 0.00 H new ATOM 0 HB2 PRO A 42 99.514 103.345 -48.717 1.00 0.00 H new ATOM 0 HB3 PRO A 42 98.464 102.018 -49.175 1.00 0.00 H new ATOM 0 HG2 PRO A 42 97.994 104.030 -47.133 1.00 0.00 H new ATOM 0 HG3 PRO A 42 96.914 102.746 -47.640 1.00 0.00 H new ATOM 0 HD2 PRO A 42 98.404 102.899 -45.169 1.00 0.00 H new ATOM 0 HD3 PRO A 42 97.343 101.604 -45.686 1.00 0.00 H new ATOM 681 N ASP A 43 101.420 103.279 -47.091 1.00 0.00 N ATOM 682 CA ASP A 43 102.486 104.171 -47.529 1.00 0.00 C ATOM 683 C ASP A 43 103.281 104.713 -46.330 1.00 0.00 C ATOM 684 O ASP A 43 103.611 105.891 -46.266 1.00 0.00 O ATOM 685 CB ASP A 43 101.871 105.337 -48.309 1.00 0.00 C ATOM 686 CG ASP A 43 100.914 106.150 -47.430 1.00 0.00 C ATOM 687 OD1 ASP A 43 99.767 105.737 -47.273 1.00 0.00 O ATOM 688 OD2 ASP A 43 101.331 107.186 -46.913 1.00 0.00 O ATOM 0 H ASP A 43 100.786 103.672 -46.395 1.00 0.00 H new ATOM 0 HA ASP A 43 103.172 103.612 -48.165 1.00 0.00 H new ATOM 0 HB2 ASP A 43 102.663 105.985 -48.684 1.00 0.00 H new ATOM 0 HB3 ASP A 43 101.335 104.954 -49.177 1.00 0.00 H new ATOM 693 N LEU A 44 103.569 103.788 -45.388 1.00 0.00 N ATOM 694 CA LEU A 44 104.647 104.023 -44.448 1.00 0.00 C ATOM 695 C LEU A 44 105.910 103.288 -44.915 1.00 0.00 C ATOM 696 O LEU A 44 106.892 103.901 -45.315 1.00 0.00 O ATOM 697 CB LEU A 44 104.215 103.542 -43.064 1.00 0.00 C ATOM 698 CG LEU A 44 103.284 104.533 -42.353 1.00 0.00 C ATOM 699 CD1 LEU A 44 102.125 105.023 -43.222 1.00 0.00 C ATOM 700 CD2 LEU A 44 102.750 103.959 -41.039 1.00 0.00 C ATOM 0 H LEU A 44 103.077 102.902 -45.272 1.00 0.00 H new ATOM 0 HA LEU A 44 104.873 105.088 -44.396 1.00 0.00 H new ATOM 0 HB2 LEU A 44 103.710 102.581 -43.160 1.00 0.00 H new ATOM 0 HB3 LEU A 44 105.100 103.377 -42.449 1.00 0.00 H new ATOM 0 HG LEU A 44 103.905 105.403 -42.138 1.00 0.00 H new ATOM 0 HD11 LEU A 44 101.511 105.720 -42.651 1.00 0.00 H new ATOM 0 HD12 LEU A 44 102.520 105.526 -44.105 1.00 0.00 H new ATOM 0 HD13 LEU A 44 101.517 104.173 -43.531 1.00 0.00 H new ATOM 0 HD21 LEU A 44 102.094 104.688 -40.563 1.00 0.00 H new ATOM 0 HD22 LEU A 44 102.190 103.046 -41.242 1.00 0.00 H new ATOM 0 HD23 LEU A 44 103.584 103.733 -40.375 1.00 0.00 H new ATOM 712 N GLY A 45 105.823 101.942 -44.844 1.00 0.00 N ATOM 713 CA GLY A 45 106.916 101.119 -45.339 1.00 0.00 C ATOM 714 C GLY A 45 107.332 100.096 -44.282 1.00 0.00 C ATOM 715 O GLY A 45 107.517 100.425 -43.123 1.00 0.00 O ATOM 0 H GLY A 45 105.030 101.428 -44.460 1.00 0.00 H new ATOM 0 HA2 GLY A 45 106.610 100.606 -46.251 1.00 0.00 H new ATOM 0 HA3 GLY A 45 107.766 101.750 -45.599 1.00 0.00 H new ATOM 719 N ASN A 46 107.489 98.840 -44.729 1.00 0.00 N ATOM 720 CA ASN A 46 107.756 97.819 -43.721 1.00 0.00 C ATOM 721 C ASN A 46 109.014 98.126 -42.886 1.00 0.00 C ATOM 722 O ASN A 46 108.989 98.090 -41.662 1.00 0.00 O ATOM 723 CB ASN A 46 107.879 96.443 -44.370 1.00 0.00 C ATOM 724 CG ASN A 46 108.962 96.420 -45.455 1.00 0.00 C ATOM 725 OD1 ASN A 46 108.525 96.869 -46.645 1.00 0.00 O flip ATOM 726 ND2 ASN A 46 110.100 96.027 -45.226 1.00 0.00 N flip ATOM 0 H ASN A 46 107.441 98.529 -45.699 1.00 0.00 H new ATOM 0 HA ASN A 46 106.906 97.822 -43.038 1.00 0.00 H new ATOM 0 HB2 ASN A 46 108.113 95.701 -43.607 1.00 0.00 H new ATOM 0 HB3 ASN A 46 106.921 96.160 -44.806 1.00 0.00 H new ATOM 0 HD21 ASN A 46 110.349 95.702 -44.292 1.00 0.00 H new ATOM 0 HD22 ASN A 46 110.798 96.025 -45.970 1.00 0.00 H new ATOM 733 N ALA A 47 110.105 98.425 -43.616 1.00 0.00 N ATOM 734 CA ALA A 47 111.355 98.677 -42.915 1.00 0.00 C ATOM 735 C ALA A 47 111.261 99.923 -42.014 1.00 0.00 C ATOM 736 O ALA A 47 111.671 99.900 -40.859 1.00 0.00 O ATOM 737 CB ALA A 47 112.482 98.853 -43.932 1.00 0.00 C ATOM 0 H ALA A 47 110.140 98.493 -44.633 1.00 0.00 H new ATOM 0 HA ALA A 47 111.563 97.821 -42.274 1.00 0.00 H new ATOM 0 HB1 ALA A 47 113.419 99.042 -43.408 1.00 0.00 H new ATOM 0 HB2 ALA A 47 112.577 97.947 -44.530 1.00 0.00 H new ATOM 0 HB3 ALA A 47 112.255 99.696 -44.584 1.00 0.00 H new ATOM 743 N VAL A 48 110.697 101.003 -42.594 1.00 0.00 N ATOM 744 CA VAL A 48 110.601 102.210 -41.783 1.00 0.00 C ATOM 745 C VAL A 48 109.681 102.003 -40.566 1.00 0.00 C ATOM 746 O VAL A 48 109.977 102.466 -39.475 1.00 0.00 O ATOM 747 CB VAL A 48 110.143 103.413 -42.618 1.00 0.00 C ATOM 748 CG1 VAL A 48 110.982 103.561 -43.886 1.00 0.00 C ATOM 749 CG2 VAL A 48 108.657 103.351 -42.966 1.00 0.00 C ATOM 0 H VAL A 48 110.331 101.059 -43.544 1.00 0.00 H new ATOM 0 HA VAL A 48 111.602 102.425 -41.409 1.00 0.00 H new ATOM 0 HB VAL A 48 110.295 104.295 -41.996 1.00 0.00 H new ATOM 0 HG11 VAL A 48 110.632 104.422 -44.455 1.00 0.00 H new ATOM 0 HG12 VAL A 48 112.028 103.705 -43.615 1.00 0.00 H new ATOM 0 HG13 VAL A 48 110.885 102.661 -44.493 1.00 0.00 H new ATOM 0 HG21 VAL A 48 108.385 104.225 -43.557 1.00 0.00 H new ATOM 0 HG22 VAL A 48 108.455 102.447 -43.541 1.00 0.00 H new ATOM 0 HG23 VAL A 48 108.069 103.336 -42.048 1.00 0.00 H new ATOM 759 N VAL A 49 108.564 101.289 -40.809 1.00 0.00 N ATOM 760 CA VAL A 49 107.549 101.154 -39.773 1.00 0.00 C ATOM 761 C VAL A 49 108.105 100.501 -38.493 1.00 0.00 C ATOM 762 O VAL A 49 107.804 100.926 -37.384 1.00 0.00 O ATOM 763 CB VAL A 49 106.363 100.361 -40.335 1.00 0.00 C ATOM 764 CG1 VAL A 49 105.346 100.000 -39.255 1.00 0.00 C ATOM 765 CG2 VAL A 49 105.679 101.165 -41.429 1.00 0.00 C ATOM 0 H VAL A 49 108.355 100.815 -41.687 1.00 0.00 H new ATOM 0 HA VAL A 49 107.215 102.150 -39.483 1.00 0.00 H new ATOM 0 HB VAL A 49 106.757 99.430 -40.742 1.00 0.00 H new ATOM 0 HG11 VAL A 49 104.525 99.439 -39.701 1.00 0.00 H new ATOM 0 HG12 VAL A 49 105.828 99.391 -38.490 1.00 0.00 H new ATOM 0 HG13 VAL A 49 104.958 100.912 -38.801 1.00 0.00 H new ATOM 0 HG21 VAL A 49 104.837 100.597 -41.825 1.00 0.00 H new ATOM 0 HG22 VAL A 49 105.319 102.108 -41.017 1.00 0.00 H new ATOM 0 HG23 VAL A 49 106.390 101.367 -42.230 1.00 0.00 H new ATOM 775 N ASN A 50 108.926 99.453 -38.708 1.00 0.00 N ATOM 776 CA ASN A 50 109.678 98.890 -37.594 1.00 0.00 C ATOM 777 C ASN A 50 110.501 99.965 -36.854 1.00 0.00 C ATOM 778 O ASN A 50 110.488 100.044 -35.631 1.00 0.00 O ATOM 779 CB ASN A 50 110.621 97.799 -38.118 1.00 0.00 C ATOM 780 CG ASN A 50 110.747 96.677 -37.085 1.00 0.00 C ATOM 781 OD1 ASN A 50 111.668 96.641 -36.278 1.00 0.00 O ATOM 782 ND2 ASN A 50 109.758 95.770 -37.171 1.00 0.00 N ATOM 0 H ASN A 50 109.075 99.001 -39.610 1.00 0.00 H new ATOM 0 HA ASN A 50 108.964 98.470 -36.886 1.00 0.00 H new ATOM 0 HB2 ASN A 50 110.241 97.399 -39.058 1.00 0.00 H new ATOM 0 HB3 ASN A 50 111.603 98.224 -38.327 1.00 0.00 H new ATOM 0 HD21 ASN A 50 109.738 94.975 -36.532 1.00 0.00 H new ATOM 0 HD22 ASN A 50 109.028 95.877 -37.875 1.00 0.00 H new ATOM 789 N SER A 51 111.207 100.779 -37.662 1.00 0.00 N ATOM 790 CA SER A 51 112.002 101.834 -37.052 1.00 0.00 C ATOM 791 C SER A 51 111.137 102.859 -36.288 1.00 0.00 C ATOM 792 O SER A 51 111.489 103.279 -35.193 1.00 0.00 O ATOM 793 CB SER A 51 112.827 102.544 -38.138 1.00 0.00 C ATOM 794 OG SER A 51 113.375 103.798 -37.751 1.00 0.00 O ATOM 0 H SER A 51 111.239 100.726 -38.680 1.00 0.00 H new ATOM 0 HA SER A 51 112.663 101.369 -36.321 1.00 0.00 H new ATOM 0 HB2 SER A 51 113.641 101.887 -38.443 1.00 0.00 H new ATOM 0 HB3 SER A 51 112.195 102.695 -39.013 1.00 0.00 H new ATOM 0 HG SER A 51 113.883 104.177 -38.498 1.00 0.00 H new ATOM 800 N ASN A 52 110.008 103.245 -36.917 1.00 0.00 N ATOM 801 CA ASN A 52 109.226 104.368 -36.424 1.00 0.00 C ATOM 802 C ASN A 52 108.543 104.084 -35.069 1.00 0.00 C ATOM 803 O ASN A 52 108.485 104.925 -34.182 1.00 0.00 O ATOM 804 CB ASN A 52 108.142 104.680 -37.451 1.00 0.00 C ATOM 805 CG ASN A 52 108.761 105.147 -38.776 1.00 0.00 C ATOM 806 OD1 ASN A 52 108.261 104.514 -39.853 1.00 0.00 O flip ATOM 807 ND2 ASN A 52 109.625 106.014 -38.813 1.00 0.00 N flip ATOM 0 H ASN A 52 109.632 102.796 -37.753 1.00 0.00 H new ATOM 0 HA ASN A 52 109.910 105.203 -36.275 1.00 0.00 H new ATOM 0 HB2 ASN A 52 107.532 103.793 -37.623 1.00 0.00 H new ATOM 0 HB3 ASN A 52 107.479 105.453 -37.062 1.00 0.00 H new ATOM 0 HD21 ASN A 52 109.951 106.446 -37.949 1.00 0.00 H new ATOM 0 HD22 ASN A 52 110.019 106.304 -39.708 1.00 0.00 H new ATOM 814 N ILE A 53 107.988 102.869 -34.976 1.00 0.00 N ATOM 815 CA ILE A 53 107.385 102.480 -33.716 1.00 0.00 C ATOM 816 C ILE A 53 108.446 102.367 -32.603 1.00 0.00 C ATOM 817 O ILE A 53 108.283 102.890 -31.509 1.00 0.00 O ATOM 818 CB ILE A 53 106.670 101.142 -33.895 1.00 0.00 C ATOM 819 CG1 ILE A 53 105.638 101.176 -35.026 1.00 0.00 C ATOM 820 CG2 ILE A 53 105.987 100.711 -32.601 1.00 0.00 C ATOM 821 CD1 ILE A 53 105.353 99.772 -35.550 1.00 0.00 C ATOM 0 H ILE A 53 107.948 102.176 -35.723 1.00 0.00 H new ATOM 0 HA ILE A 53 106.669 103.246 -33.419 1.00 0.00 H new ATOM 0 HB ILE A 53 107.439 100.417 -34.162 1.00 0.00 H new ATOM 0 HG12 ILE A 53 104.714 101.628 -34.666 1.00 0.00 H new ATOM 0 HG13 ILE A 53 106.004 101.804 -35.838 1.00 0.00 H new ATOM 0 HG21 ILE A 53 105.485 99.756 -32.755 1.00 0.00 H new ATOM 0 HG22 ILE A 53 106.733 100.606 -31.813 1.00 0.00 H new ATOM 0 HG23 ILE A 53 105.254 101.463 -32.309 1.00 0.00 H new ATOM 0 HD11 ILE A 53 104.617 99.825 -36.352 1.00 0.00 H new ATOM 0 HD12 ILE A 53 106.274 99.332 -35.932 1.00 0.00 H new ATOM 0 HD13 ILE A 53 104.964 99.154 -34.741 1.00 0.00 H new ATOM 833 N GLY A 54 109.527 101.642 -32.945 1.00 0.00 N ATOM 834 CA GLY A 54 110.613 101.493 -31.992 1.00 0.00 C ATOM 835 C GLY A 54 111.230 102.829 -31.552 1.00 0.00 C ATOM 836 O GLY A 54 111.533 103.032 -30.386 1.00 0.00 O ATOM 0 H GLY A 54 109.660 101.172 -33.840 1.00 0.00 H new ATOM 0 HA2 GLY A 54 110.244 100.965 -31.113 1.00 0.00 H new ATOM 0 HA3 GLY A 54 111.391 100.871 -32.434 1.00 0.00 H new ATOM 840 N VAL A 55 111.419 103.712 -32.544 1.00 0.00 N ATOM 841 CA VAL A 55 112.085 104.971 -32.242 1.00 0.00 C ATOM 842 C VAL A 55 111.232 105.894 -31.338 1.00 0.00 C ATOM 843 O VAL A 55 111.757 106.607 -30.492 1.00 0.00 O ATOM 844 CB VAL A 55 112.491 105.659 -33.543 1.00 0.00 C ATOM 845 CG1 VAL A 55 111.287 106.279 -34.223 1.00 0.00 C ATOM 846 CG2 VAL A 55 113.586 106.696 -33.307 1.00 0.00 C ATOM 0 H VAL A 55 111.133 103.582 -33.515 1.00 0.00 H new ATOM 0 HA VAL A 55 112.984 104.751 -31.666 1.00 0.00 H new ATOM 0 HB VAL A 55 112.900 104.899 -34.208 1.00 0.00 H new ATOM 0 HG11 VAL A 55 111.601 106.763 -35.148 1.00 0.00 H new ATOM 0 HG12 VAL A 55 110.557 105.502 -34.450 1.00 0.00 H new ATOM 0 HG13 VAL A 55 110.836 107.018 -33.561 1.00 0.00 H new ATOM 0 HG21 VAL A 55 113.851 107.167 -34.254 1.00 0.00 H new ATOM 0 HG22 VAL A 55 113.225 107.455 -32.613 1.00 0.00 H new ATOM 0 HG23 VAL A 55 114.465 106.208 -32.886 1.00 0.00 H new ATOM 856 N LEU A 56 109.899 105.853 -31.561 1.00 0.00 N ATOM 857 CA LEU A 56 108.992 106.349 -30.531 1.00 0.00 C ATOM 858 C LEU A 56 109.240 105.654 -29.174 1.00 0.00 C ATOM 859 O LEU A 56 109.361 106.301 -28.142 1.00 0.00 O ATOM 860 CB LEU A 56 107.572 106.021 -31.003 1.00 0.00 C ATOM 861 CG LEU A 56 106.967 107.031 -31.985 1.00 0.00 C ATOM 862 CD1 LEU A 56 107.987 107.747 -32.875 1.00 0.00 C ATOM 863 CD2 LEU A 56 105.952 106.317 -32.870 1.00 0.00 C ATOM 0 H LEU A 56 109.454 105.497 -32.407 1.00 0.00 H new ATOM 0 HA LEU A 56 109.146 107.418 -30.387 1.00 0.00 H new ATOM 0 HB2 LEU A 56 107.580 105.038 -31.474 1.00 0.00 H new ATOM 0 HB3 LEU A 56 106.922 105.951 -30.131 1.00 0.00 H new ATOM 0 HG LEU A 56 106.504 107.805 -31.373 1.00 0.00 H new ATOM 0 HD11 LEU A 56 107.469 108.441 -33.536 1.00 0.00 H new ATOM 0 HD12 LEU A 56 108.691 108.297 -32.251 1.00 0.00 H new ATOM 0 HD13 LEU A 56 108.528 107.013 -33.472 1.00 0.00 H new ATOM 0 HD21 LEU A 56 105.517 107.029 -33.572 1.00 0.00 H new ATOM 0 HD22 LEU A 56 106.449 105.520 -33.423 1.00 0.00 H new ATOM 0 HD23 LEU A 56 105.164 105.891 -32.249 1.00 0.00 H new ATOM 875 N ILE A 57 109.338 104.314 -29.232 1.00 0.00 N ATOM 876 CA ILE A 57 109.461 103.593 -27.971 1.00 0.00 C ATOM 877 C ILE A 57 110.742 103.983 -27.199 1.00 0.00 C ATOM 878 O ILE A 57 110.724 104.163 -25.987 1.00 0.00 O ATOM 879 CB ILE A 57 109.441 102.088 -28.243 1.00 0.00 C ATOM 880 CG1 ILE A 57 108.156 101.679 -28.983 1.00 0.00 C ATOM 881 CG2 ILE A 57 109.680 101.292 -26.956 1.00 0.00 C ATOM 882 CD1 ILE A 57 107.189 100.822 -28.167 1.00 0.00 C ATOM 0 H ILE A 57 109.335 103.747 -30.080 1.00 0.00 H new ATOM 0 HA ILE A 57 108.614 103.867 -27.342 1.00 0.00 H new ATOM 0 HB ILE A 57 110.268 101.842 -28.909 1.00 0.00 H new ATOM 0 HG12 ILE A 57 107.636 102.582 -29.304 1.00 0.00 H new ATOM 0 HG13 ILE A 57 108.432 101.132 -29.884 1.00 0.00 H new ATOM 0 HG21 ILE A 57 109.661 100.225 -27.179 1.00 0.00 H new ATOM 0 HG22 ILE A 57 110.651 101.558 -26.539 1.00 0.00 H new ATOM 0 HG23 ILE A 57 108.898 101.526 -26.233 1.00 0.00 H new ATOM 0 HD11 ILE A 57 106.314 100.584 -28.772 1.00 0.00 H new ATOM 0 HD12 ILE A 57 107.685 99.899 -27.867 1.00 0.00 H new ATOM 0 HD13 ILE A 57 106.877 101.371 -27.279 1.00 0.00 H new ATOM 894 N LYS A 58 111.842 104.099 -27.969 1.00 0.00 N ATOM 895 CA LYS A 58 113.145 104.341 -27.367 1.00 0.00 C ATOM 896 C LYS A 58 113.280 105.775 -26.792 1.00 0.00 C ATOM 897 O LYS A 58 114.088 106.027 -25.906 1.00 0.00 O ATOM 898 CB LYS A 58 114.228 104.036 -28.409 1.00 0.00 C ATOM 899 CG LYS A 58 114.476 105.196 -29.369 1.00 0.00 C ATOM 900 CD LYS A 58 115.677 106.040 -28.944 1.00 0.00 C ATOM 901 CE LYS A 58 116.073 107.054 -30.018 1.00 0.00 C ATOM 902 NZ LYS A 58 115.608 108.403 -29.718 1.00 0.00 N ATOM 0 H LYS A 58 111.845 104.029 -28.987 1.00 0.00 H new ATOM 0 HA LYS A 58 113.266 103.678 -26.511 1.00 0.00 H new ATOM 0 HB2 LYS A 58 115.158 103.790 -27.897 1.00 0.00 H new ATOM 0 HB3 LYS A 58 113.937 103.155 -28.980 1.00 0.00 H new ATOM 0 HG2 LYS A 58 114.643 104.807 -30.373 1.00 0.00 H new ATOM 0 HG3 LYS A 58 113.588 105.826 -29.415 1.00 0.00 H new ATOM 0 HD2 LYS A 58 115.442 106.565 -28.018 1.00 0.00 H new ATOM 0 HD3 LYS A 58 116.523 105.386 -28.733 1.00 0.00 H new ATOM 0 HE2 LYS A 58 117.158 107.063 -30.121 1.00 0.00 H new ATOM 0 HE3 LYS A 58 115.664 106.738 -30.978 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 115.018 108.749 -30.501 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 115.048 108.390 -28.842 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 116.426 109.033 -29.597 1.00 0.00 H new ATOM 916 N LYS A 59 112.450 106.684 -27.344 1.00 0.00 N ATOM 917 CA LYS A 59 112.241 107.977 -26.719 1.00 0.00 C ATOM 918 C LYS A 59 111.363 107.842 -25.459 1.00 0.00 C ATOM 919 O LYS A 59 111.697 108.344 -24.393 1.00 0.00 O ATOM 920 CB LYS A 59 111.536 108.876 -27.734 1.00 0.00 C ATOM 921 CG LYS A 59 112.389 109.161 -28.970 1.00 0.00 C ATOM 922 CD LYS A 59 111.534 109.637 -30.144 1.00 0.00 C ATOM 923 CE LYS A 59 112.390 110.120 -31.316 1.00 0.00 C ATOM 924 NZ LYS A 59 111.593 110.413 -32.501 1.00 0.00 N ATOM 0 H LYS A 59 111.928 106.537 -28.208 1.00 0.00 H new ATOM 0 HA LYS A 59 113.200 108.399 -26.419 1.00 0.00 H new ATOM 0 HB2 LYS A 59 110.603 108.404 -28.043 1.00 0.00 H new ATOM 0 HB3 LYS A 59 111.273 109.819 -27.255 1.00 0.00 H new ATOM 0 HG2 LYS A 59 113.135 109.919 -28.731 1.00 0.00 H new ATOM 0 HG3 LYS A 59 112.931 108.259 -29.255 1.00 0.00 H new ATOM 0 HD2 LYS A 59 110.889 108.823 -30.477 1.00 0.00 H new ATOM 0 HD3 LYS A 59 110.882 110.446 -29.814 1.00 0.00 H new ATOM 0 HE2 LYS A 59 112.937 111.015 -31.019 1.00 0.00 H new ATOM 0 HE3 LYS A 59 113.132 109.359 -31.559 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 112.053 111.166 -33.052 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 111.512 109.557 -33.085 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 110.644 110.726 -32.212 1.00 0.00 H new ATOM 938 N GLY A 60 110.228 107.138 -25.651 1.00 0.00 N ATOM 939 CA GLY A 60 108.945 107.736 -25.382 1.00 0.00 C ATOM 940 C GLY A 60 108.663 108.791 -26.446 1.00 0.00 C ATOM 941 O GLY A 60 109.151 109.913 -26.388 1.00 0.00 O ATOM 0 H GLY A 60 110.193 106.175 -25.985 1.00 0.00 H new ATOM 0 HA2 GLY A 60 108.165 106.975 -25.389 1.00 0.00 H new ATOM 0 HA3 GLY A 60 108.940 108.189 -24.391 1.00 0.00 H new ATOM 945 N LEU A 61 107.846 108.343 -27.414 1.00 0.00 N ATOM 946 CA LEU A 61 106.459 108.094 -27.126 1.00 0.00 C ATOM 947 C LEU A 61 105.932 107.147 -28.200 1.00 0.00 C ATOM 948 O LEU A 61 105.545 107.540 -29.293 1.00 0.00 O ATOM 949 CB LEU A 61 105.749 109.443 -27.256 1.00 0.00 C ATOM 950 CG LEU A 61 106.096 110.261 -28.519 1.00 0.00 C ATOM 951 CD1 LEU A 61 105.002 111.277 -28.795 1.00 0.00 C ATOM 952 CD2 LEU A 61 107.431 110.989 -28.406 1.00 0.00 C ATOM 0 H LEU A 61 108.131 108.155 -28.375 1.00 0.00 H new ATOM 0 HA LEU A 61 106.304 107.660 -26.138 1.00 0.00 H new ATOM 0 HB2 LEU A 61 104.673 109.270 -27.241 1.00 0.00 H new ATOM 0 HB3 LEU A 61 105.987 110.045 -26.379 1.00 0.00 H new ATOM 0 HG LEU A 61 106.177 109.548 -29.340 1.00 0.00 H new ATOM 0 HD11 LEU A 61 105.254 111.850 -29.687 1.00 0.00 H new ATOM 0 HD12 LEU A 61 104.056 110.759 -28.952 1.00 0.00 H new ATOM 0 HD13 LEU A 61 104.910 111.952 -27.944 1.00 0.00 H new ATOM 0 HD21 LEU A 61 107.620 111.546 -29.323 1.00 0.00 H new ATOM 0 HD22 LEU A 61 107.399 111.679 -27.562 1.00 0.00 H new ATOM 0 HD23 LEU A 61 108.229 110.263 -28.251 1.00 0.00 H new ATOM 964 N VAL A 62 105.915 105.866 -27.814 1.00 0.00 N ATOM 965 CA VAL A 62 104.757 105.082 -27.464 1.00 0.00 C ATOM 966 C VAL A 62 105.184 104.072 -26.387 1.00 0.00 C ATOM 967 O VAL A 62 106.333 103.647 -26.343 1.00 0.00 O ATOM 968 CB VAL A 62 104.245 104.381 -28.717 1.00 0.00 C ATOM 969 CG1 VAL A 62 105.290 103.426 -29.282 1.00 0.00 C ATOM 970 CG2 VAL A 62 102.923 103.659 -28.465 1.00 0.00 C ATOM 0 H VAL A 62 106.777 105.326 -27.737 1.00 0.00 H new ATOM 0 HA VAL A 62 103.951 105.702 -27.070 1.00 0.00 H new ATOM 0 HB VAL A 62 104.057 105.154 -29.462 1.00 0.00 H new ATOM 0 HG11 VAL A 62 104.895 102.941 -30.175 1.00 0.00 H new ATOM 0 HG12 VAL A 62 106.191 103.983 -29.540 1.00 0.00 H new ATOM 0 HG13 VAL A 62 105.533 102.669 -28.536 1.00 0.00 H new ATOM 0 HG21 VAL A 62 102.593 103.173 -29.383 1.00 0.00 H new ATOM 0 HG22 VAL A 62 103.061 102.909 -27.686 1.00 0.00 H new ATOM 0 HG23 VAL A 62 102.170 104.379 -28.145 1.00 0.00 H new ATOM 980 N GLU A 63 104.213 103.713 -25.528 1.00 0.00 N ATOM 981 CA GLU A 63 104.436 102.581 -24.633 1.00 0.00 C ATOM 982 C GLU A 63 103.666 101.348 -25.136 1.00 0.00 C ATOM 983 O GLU A 63 102.468 101.383 -25.381 1.00 0.00 O ATOM 984 CB GLU A 63 103.994 102.929 -23.210 1.00 0.00 C ATOM 985 CG GLU A 63 105.138 103.530 -22.393 1.00 0.00 C ATOM 986 CD GLU A 63 104.592 104.144 -21.103 1.00 0.00 C ATOM 987 OE1 GLU A 63 103.642 103.595 -20.548 1.00 0.00 O ATOM 988 OE2 GLU A 63 105.124 105.164 -20.667 1.00 0.00 O ATOM 0 H GLU A 63 103.306 104.172 -25.440 1.00 0.00 H new ATOM 0 HA GLU A 63 105.502 102.353 -24.622 1.00 0.00 H new ATOM 0 HB2 GLU A 63 103.165 103.635 -23.249 1.00 0.00 H new ATOM 0 HB3 GLU A 63 103.625 102.031 -22.714 1.00 0.00 H new ATOM 0 HG2 GLU A 63 105.871 102.759 -22.157 1.00 0.00 H new ATOM 0 HG3 GLU A 63 105.653 104.291 -22.978 1.00 0.00 H new ATOM 995 N LYS A 64 104.435 100.251 -25.257 1.00 0.00 N ATOM 996 CA LYS A 64 103.837 99.001 -25.662 1.00 0.00 C ATOM 997 C LYS A 64 103.172 98.328 -24.458 1.00 0.00 C ATOM 998 O LYS A 64 103.807 97.989 -23.466 1.00 0.00 O ATOM 999 CB LYS A 64 104.923 98.106 -26.247 1.00 0.00 C ATOM 1000 CG LYS A 64 104.383 96.718 -26.578 1.00 0.00 C ATOM 1001 CD LYS A 64 104.746 95.691 -25.506 1.00 0.00 C ATOM 1002 CE LYS A 64 104.842 94.276 -26.080 1.00 0.00 C ATOM 1003 NZ LYS A 64 106.130 94.020 -26.712 1.00 0.00 N ATOM 0 H LYS A 64 105.439 100.219 -25.083 1.00 0.00 H new ATOM 0 HA LYS A 64 103.071 99.179 -26.417 1.00 0.00 H new ATOM 0 HB2 LYS A 64 105.328 98.565 -27.149 1.00 0.00 H new ATOM 0 HB3 LYS A 64 105.746 98.018 -25.537 1.00 0.00 H new ATOM 0 HG2 LYS A 64 103.299 96.766 -26.681 1.00 0.00 H new ATOM 0 HG3 LYS A 64 104.781 96.394 -27.540 1.00 0.00 H new ATOM 0 HD2 LYS A 64 105.698 95.963 -25.050 1.00 0.00 H new ATOM 0 HD3 LYS A 64 103.996 95.712 -24.715 1.00 0.00 H new ATOM 0 HE2 LYS A 64 104.681 93.551 -25.282 1.00 0.00 H new ATOM 0 HE3 LYS A 64 104.046 94.128 -26.810 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 106.147 93.049 -27.085 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 106.274 94.693 -27.491 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 106.890 94.134 -26.011 1.00 0.00 H new ATOM 1017 N SER A 65 101.845 98.167 -24.626 1.00 0.00 N ATOM 1018 CA SER A 65 101.038 97.535 -23.592 1.00 0.00 C ATOM 1019 C SER A 65 100.506 96.200 -24.120 1.00 0.00 C ATOM 1020 O SER A 65 99.598 96.160 -24.941 1.00 0.00 O ATOM 1021 CB SER A 65 99.830 98.440 -23.294 1.00 0.00 C ATOM 1022 OG SER A 65 98.865 97.904 -22.395 1.00 0.00 O ATOM 0 H SER A 65 101.328 98.463 -25.454 1.00 0.00 H new ATOM 0 HA SER A 65 101.639 97.379 -22.696 1.00 0.00 H new ATOM 0 HB2 SER A 65 100.197 99.382 -22.886 1.00 0.00 H new ATOM 0 HB3 SER A 65 99.333 98.673 -24.236 1.00 0.00 H new ATOM 0 HG SER A 65 98.075 97.614 -22.898 1.00 0.00 H new ATOM 1028 N GLY A 66 101.105 95.117 -23.592 1.00 0.00 N ATOM 1029 CA GLY A 66 101.463 94.029 -24.486 1.00 0.00 C ATOM 1030 C GLY A 66 100.330 93.008 -24.569 1.00 0.00 C ATOM 1031 O GLY A 66 100.189 92.130 -23.726 1.00 0.00 O ATOM 0 H GLY A 66 101.336 94.984 -22.608 1.00 0.00 H new ATOM 0 HA2 GLY A 66 101.679 94.423 -25.479 1.00 0.00 H new ATOM 0 HA3 GLY A 66 102.372 93.544 -24.131 1.00 0.00 H new ATOM 1035 N ASP A 67 99.535 93.183 -25.640 1.00 0.00 N ATOM 1036 CA ASP A 67 100.037 92.956 -26.991 1.00 0.00 C ATOM 1037 C ASP A 67 100.476 94.264 -27.682 1.00 0.00 C ATOM 1038 O ASP A 67 101.502 94.309 -28.350 1.00 0.00 O ATOM 1039 CB ASP A 67 98.958 92.255 -27.822 1.00 0.00 C ATOM 1040 CG ASP A 67 97.713 93.138 -27.956 1.00 0.00 C ATOM 1041 OD1 ASP A 67 97.082 93.423 -26.941 1.00 0.00 O ATOM 1042 OD2 ASP A 67 97.389 93.527 -29.077 1.00 0.00 O ATOM 0 H ASP A 67 98.559 93.476 -25.590 1.00 0.00 H new ATOM 0 HA ASP A 67 100.922 92.324 -26.916 1.00 0.00 H new ATOM 0 HB2 ASP A 67 99.350 92.020 -28.811 1.00 0.00 H new ATOM 0 HB3 ASP A 67 98.689 91.309 -27.353 1.00 0.00 H new ATOM 1047 N GLY A 68 99.652 95.316 -27.487 1.00 0.00 N ATOM 1048 CA GLY A 68 99.487 96.342 -28.495 1.00 0.00 C ATOM 1049 C GLY A 68 100.030 97.670 -27.981 1.00 0.00 C ATOM 1050 O GLY A 68 100.199 97.889 -26.787 1.00 0.00 O ATOM 0 H GLY A 68 99.101 95.461 -26.641 1.00 0.00 H new ATOM 0 HA2 GLY A 68 100.010 96.055 -29.407 1.00 0.00 H new ATOM 0 HA3 GLY A 68 98.433 96.446 -28.751 1.00 0.00 H new ATOM 1054 N LEU A 69 100.291 98.539 -28.975 1.00 0.00 N ATOM 1055 CA LEU A 69 101.123 99.695 -28.723 1.00 0.00 C ATOM 1056 C LEU A 69 100.199 100.875 -28.448 1.00 0.00 C ATOM 1057 O LEU A 69 99.195 101.062 -29.122 1.00 0.00 O ATOM 1058 CB LEU A 69 102.014 99.947 -29.944 1.00 0.00 C ATOM 1059 CG LEU A 69 102.868 98.724 -30.320 1.00 0.00 C ATOM 1060 CD1 LEU A 69 104.152 99.157 -31.019 1.00 0.00 C ATOM 1061 CD2 LEU A 69 103.217 97.820 -29.135 1.00 0.00 C ATOM 0 H LEU A 69 99.942 98.454 -29.930 1.00 0.00 H new ATOM 0 HA LEU A 69 101.776 99.543 -27.863 1.00 0.00 H new ATOM 0 HB2 LEU A 69 101.389 100.223 -30.793 1.00 0.00 H new ATOM 0 HB3 LEU A 69 102.669 100.794 -29.741 1.00 0.00 H new ATOM 0 HG LEU A 69 102.247 98.135 -30.995 1.00 0.00 H new ATOM 0 HD11 LEU A 69 104.741 98.277 -31.276 1.00 0.00 H new ATOM 0 HD12 LEU A 69 103.904 99.706 -31.928 1.00 0.00 H new ATOM 0 HD13 LEU A 69 104.730 99.798 -30.354 1.00 0.00 H new ATOM 0 HD21 LEU A 69 103.820 96.981 -29.483 1.00 0.00 H new ATOM 0 HD22 LEU A 69 103.780 98.390 -28.396 1.00 0.00 H new ATOM 0 HD23 LEU A 69 102.300 97.444 -28.682 1.00 0.00 H new ATOM 1073 N ILE A 70 100.582 101.649 -27.414 1.00 0.00 N ATOM 1074 CA ILE A 70 99.726 102.765 -27.067 1.00 0.00 C ATOM 1075 C ILE A 70 100.551 103.846 -26.385 1.00 0.00 C ATOM 1076 O ILE A 70 101.529 103.585 -25.701 1.00 0.00 O ATOM 1077 CB ILE A 70 98.637 102.322 -26.097 1.00 0.00 C ATOM 1078 CG1 ILE A 70 99.215 101.647 -24.859 1.00 0.00 C ATOM 1079 CG2 ILE A 70 97.650 101.384 -26.771 1.00 0.00 C ATOM 1080 CD1 ILE A 70 98.195 101.648 -23.721 1.00 0.00 C ATOM 0 H ILE A 70 101.421 101.526 -26.847 1.00 0.00 H new ATOM 0 HA ILE A 70 99.272 103.145 -27.983 1.00 0.00 H new ATOM 0 HB ILE A 70 98.115 103.226 -25.783 1.00 0.00 H new ATOM 0 HG12 ILE A 70 99.502 100.623 -25.097 1.00 0.00 H new ATOM 0 HG13 ILE A 70 100.120 102.166 -24.544 1.00 0.00 H new ATOM 0 HG21 ILE A 70 96.885 101.085 -26.055 1.00 0.00 H new ATOM 0 HG22 ILE A 70 97.180 101.894 -27.612 1.00 0.00 H new ATOM 0 HG23 ILE A 70 98.176 100.500 -27.131 1.00 0.00 H new ATOM 0 HD11 ILE A 70 98.626 101.162 -22.846 1.00 0.00 H new ATOM 0 HD12 ILE A 70 97.929 102.675 -23.471 1.00 0.00 H new ATOM 0 HD13 ILE A 70 97.301 101.108 -24.033 1.00 0.00 H new ATOM 1092 N ILE A 71 100.080 105.081 -26.606 1.00 0.00 N ATOM 1093 CA ILE A 71 101.015 106.179 -26.520 1.00 0.00 C ATOM 1094 C ILE A 71 100.969 106.794 -25.122 1.00 0.00 C ATOM 1095 O ILE A 71 99.957 106.769 -24.433 1.00 0.00 O ATOM 1096 CB ILE A 71 100.673 107.208 -27.586 1.00 0.00 C ATOM 1097 CG1 ILE A 71 99.287 107.803 -27.320 1.00 0.00 C ATOM 1098 CG2 ILE A 71 100.805 106.581 -28.977 1.00 0.00 C ATOM 1099 CD1 ILE A 71 98.865 108.843 -28.356 1.00 0.00 C ATOM 0 H ILE A 71 99.115 105.324 -26.831 1.00 0.00 H new ATOM 0 HA ILE A 71 102.029 105.820 -26.694 1.00 0.00 H new ATOM 0 HB ILE A 71 101.379 108.037 -27.546 1.00 0.00 H new ATOM 0 HG12 ILE A 71 98.552 106.999 -27.303 1.00 0.00 H new ATOM 0 HG13 ILE A 71 99.280 108.262 -26.331 1.00 0.00 H new ATOM 0 HG21 ILE A 71 100.559 107.324 -29.736 1.00 0.00 H new ATOM 0 HG22 ILE A 71 101.828 106.237 -29.125 1.00 0.00 H new ATOM 0 HG23 ILE A 71 100.122 105.736 -29.061 1.00 0.00 H new ATOM 0 HD11 ILE A 71 97.874 109.223 -28.107 1.00 0.00 H new ATOM 0 HD12 ILE A 71 99.580 109.666 -28.357 1.00 0.00 H new ATOM 0 HD13 ILE A 71 98.840 108.383 -29.344 1.00 0.00 H new ATOM 1111 N THR A 72 102.141 107.344 -24.763 1.00 0.00 N ATOM 1112 CA THR A 72 102.270 107.940 -23.450 1.00 0.00 C ATOM 1113 C THR A 72 101.599 109.321 -23.470 1.00 0.00 C ATOM 1114 O THR A 72 101.125 109.798 -24.495 1.00 0.00 O ATOM 1115 CB THR A 72 103.758 108.079 -23.079 1.00 0.00 C ATOM 1116 OG1 THR A 72 104.301 109.257 -23.620 1.00 0.00 O ATOM 1117 CG2 THR A 72 104.649 106.889 -23.473 1.00 0.00 C ATOM 0 H THR A 72 102.976 107.382 -25.348 1.00 0.00 H new ATOM 0 HA THR A 72 101.787 107.307 -22.706 1.00 0.00 H new ATOM 0 HB THR A 72 103.759 108.111 -21.989 1.00 0.00 H new ATOM 0 HG1 THR A 72 105.246 109.326 -23.371 1.00 0.00 H new ATOM 0 HG21 THR A 72 105.676 107.087 -23.168 1.00 0.00 H new ATOM 0 HG22 THR A 72 104.291 105.987 -22.978 1.00 0.00 H new ATOM 0 HG23 THR A 72 104.612 106.749 -24.553 1.00 0.00 H new ATOM 1125 N GLY A 73 101.591 109.931 -22.272 1.00 0.00 N ATOM 1126 CA GLY A 73 101.069 111.290 -22.212 1.00 0.00 C ATOM 1127 C GLY A 73 101.797 112.279 -23.152 1.00 0.00 C ATOM 1128 O GLY A 73 101.194 113.232 -23.629 1.00 0.00 O ATOM 0 H GLY A 73 101.918 109.532 -21.392 1.00 0.00 H new ATOM 0 HA2 GLY A 73 100.009 111.274 -22.467 1.00 0.00 H new ATOM 0 HA3 GLY A 73 101.145 111.654 -21.187 1.00 0.00 H new ATOM 1132 N GLU A 74 103.104 112.024 -23.400 1.00 0.00 N ATOM 1133 CA GLU A 74 103.828 112.931 -24.285 1.00 0.00 C ATOM 1134 C GLU A 74 103.145 113.033 -25.658 1.00 0.00 C ATOM 1135 O GLU A 74 102.835 114.118 -26.131 1.00 0.00 O ATOM 1136 CB GLU A 74 105.274 112.475 -24.483 1.00 0.00 C ATOM 1137 CG GLU A 74 105.990 112.187 -23.168 1.00 0.00 C ATOM 1138 CD GLU A 74 107.378 111.605 -23.446 1.00 0.00 C ATOM 1139 OE1 GLU A 74 107.457 110.545 -24.064 1.00 0.00 O ATOM 1140 OE2 GLU A 74 108.363 112.218 -23.039 1.00 0.00 O ATOM 0 H GLU A 74 103.641 111.244 -23.021 1.00 0.00 H new ATOM 0 HA GLU A 74 103.822 113.911 -23.807 1.00 0.00 H new ATOM 0 HB2 GLU A 74 105.285 111.577 -25.101 1.00 0.00 H new ATOM 0 HB3 GLU A 74 105.821 113.244 -25.028 1.00 0.00 H new ATOM 0 HG2 GLU A 74 106.081 113.104 -22.585 1.00 0.00 H new ATOM 0 HG3 GLU A 74 105.405 111.487 -22.572 1.00 0.00 H new ATOM 1147 N ALA A 75 102.901 111.842 -26.246 1.00 0.00 N ATOM 1148 CA ALA A 75 102.172 111.821 -27.508 1.00 0.00 C ATOM 1149 C ALA A 75 100.800 112.498 -27.368 1.00 0.00 C ATOM 1150 O ALA A 75 100.424 113.326 -28.182 1.00 0.00 O ATOM 1151 CB ALA A 75 101.954 110.373 -27.956 1.00 0.00 C ATOM 0 H ALA A 75 103.185 110.933 -25.882 1.00 0.00 H new ATOM 0 HA ALA A 75 102.765 112.364 -28.244 1.00 0.00 H new ATOM 0 HB1 ALA A 75 101.409 110.362 -28.900 1.00 0.00 H new ATOM 0 HB2 ALA A 75 102.919 109.884 -28.089 1.00 0.00 H new ATOM 0 HB3 ALA A 75 101.379 109.840 -27.199 1.00 0.00 H new ATOM 1157 N GLN A 76 100.094 112.125 -26.287 1.00 0.00 N ATOM 1158 CA GLN A 76 98.715 112.569 -26.160 1.00 0.00 C ATOM 1159 C GLN A 76 98.566 114.107 -26.271 1.00 0.00 C ATOM 1160 O GLN A 76 97.591 114.601 -26.823 1.00 0.00 O ATOM 1161 CB GLN A 76 98.206 112.095 -24.800 1.00 0.00 C ATOM 1162 CG GLN A 76 97.789 110.624 -24.823 1.00 0.00 C ATOM 1163 CD GLN A 76 97.711 110.083 -23.394 1.00 0.00 C ATOM 1164 OE1 GLN A 76 98.583 109.358 -22.929 1.00 0.00 O ATOM 1165 NE2 GLN A 76 96.610 110.488 -22.738 1.00 0.00 N ATOM 0 H GLN A 76 100.444 111.543 -25.525 1.00 0.00 H new ATOM 0 HA GLN A 76 98.134 112.146 -26.979 1.00 0.00 H new ATOM 0 HB2 GLN A 76 98.985 112.239 -24.052 1.00 0.00 H new ATOM 0 HB3 GLN A 76 97.357 112.708 -24.498 1.00 0.00 H new ATOM 0 HG2 GLN A 76 96.822 110.519 -25.314 1.00 0.00 H new ATOM 0 HG3 GLN A 76 98.506 110.043 -25.403 1.00 0.00 H new ATOM 0 HE21 GLN A 76 95.933 111.093 -23.203 1.00 0.00 H new ATOM 0 HE22 GLN A 76 96.451 110.190 -21.775 1.00 0.00 H new ATOM 1174 N ASP A 77 99.569 114.829 -25.729 1.00 0.00 N ATOM 1175 CA ASP A 77 99.584 116.270 -25.915 1.00 0.00 C ATOM 1176 C ASP A 77 99.832 116.652 -27.386 1.00 0.00 C ATOM 1177 O ASP A 77 99.163 117.515 -27.940 1.00 0.00 O ATOM 1178 CB ASP A 77 100.680 116.875 -25.037 1.00 0.00 C ATOM 1179 CG ASP A 77 100.359 118.341 -24.739 1.00 0.00 C ATOM 1180 OD1 ASP A 77 100.719 119.197 -25.546 1.00 0.00 O ATOM 1181 OD2 ASP A 77 99.755 118.611 -23.702 1.00 0.00 O ATOM 0 H ASP A 77 100.342 114.447 -25.184 1.00 0.00 H new ATOM 0 HA ASP A 77 98.608 116.662 -25.630 1.00 0.00 H new ATOM 0 HB2 ASP A 77 100.762 116.315 -24.105 1.00 0.00 H new ATOM 0 HB3 ASP A 77 101.644 116.800 -25.540 1.00 0.00 H new ATOM 1186 N ILE A 78 100.828 115.960 -27.980 1.00 0.00 N ATOM 1187 CA ILE A 78 101.220 116.302 -29.334 1.00 0.00 C ATOM 1188 C ILE A 78 100.069 116.069 -30.334 1.00 0.00 C ATOM 1189 O ILE A 78 99.775 116.913 -31.168 1.00 0.00 O ATOM 1190 CB ILE A 78 102.426 115.431 -29.707 1.00 0.00 C ATOM 1191 CG1 ILE A 78 103.653 115.712 -28.832 1.00 0.00 C ATOM 1192 CG2 ILE A 78 102.788 115.554 -31.190 1.00 0.00 C ATOM 1193 CD1 ILE A 78 103.725 117.145 -28.296 1.00 0.00 C ATOM 0 H ILE A 78 101.348 115.194 -27.552 1.00 0.00 H new ATOM 0 HA ILE A 78 101.475 117.361 -29.381 1.00 0.00 H new ATOM 0 HB ILE A 78 102.117 114.403 -29.516 1.00 0.00 H new ATOM 0 HG12 ILE A 78 103.651 115.020 -27.990 1.00 0.00 H new ATOM 0 HG13 ILE A 78 104.553 115.507 -29.411 1.00 0.00 H new ATOM 0 HG21 ILE A 78 103.647 114.920 -31.409 1.00 0.00 H new ATOM 0 HG22 ILE A 78 101.941 115.239 -31.799 1.00 0.00 H new ATOM 0 HG23 ILE A 78 103.034 116.591 -31.420 1.00 0.00 H new ATOM 0 HD11 ILE A 78 104.622 117.261 -27.687 1.00 0.00 H new ATOM 0 HD12 ILE A 78 103.760 117.845 -29.131 1.00 0.00 H new ATOM 0 HD13 ILE A 78 102.844 117.351 -27.688 1.00 0.00 H new ATOM 1205 N ILE A 79 99.454 114.881 -30.198 1.00 0.00 N ATOM 1206 CA ILE A 79 98.410 114.478 -31.119 1.00 0.00 C ATOM 1207 C ILE A 79 97.185 115.397 -31.041 1.00 0.00 C ATOM 1208 O ILE A 79 96.629 115.796 -32.055 1.00 0.00 O ATOM 1209 CB ILE A 79 97.941 113.069 -30.762 1.00 0.00 C ATOM 1210 CG1 ILE A 79 99.074 112.052 -30.588 1.00 0.00 C ATOM 1211 CG2 ILE A 79 96.905 112.579 -31.770 1.00 0.00 C ATOM 1212 CD1 ILE A 79 100.344 112.380 -31.375 1.00 0.00 C ATOM 0 H ILE A 79 99.667 114.202 -29.467 1.00 0.00 H new ATOM 0 HA ILE A 79 98.831 114.527 -32.123 1.00 0.00 H new ATOM 0 HB ILE A 79 97.478 113.147 -29.778 1.00 0.00 H new ATOM 0 HG12 ILE A 79 99.325 111.983 -29.529 1.00 0.00 H new ATOM 0 HG13 ILE A 79 98.715 111.070 -30.895 1.00 0.00 H new ATOM 0 HG21 ILE A 79 96.582 111.574 -31.500 1.00 0.00 H new ATOM 0 HG22 ILE A 79 96.046 113.250 -31.764 1.00 0.00 H new ATOM 0 HG23 ILE A 79 97.346 112.563 -32.767 1.00 0.00 H new ATOM 0 HD11 ILE A 79 101.093 111.609 -31.194 1.00 0.00 H new ATOM 0 HD12 ILE A 79 100.113 112.419 -32.439 1.00 0.00 H new ATOM 0 HD13 ILE A 79 100.732 113.346 -31.053 1.00 0.00 H new ATOM 1224 N SER A 80 96.775 115.693 -29.793 1.00 0.00 N ATOM 1225 CA SER A 80 95.598 116.537 -29.659 1.00 0.00 C ATOM 1226 C SER A 80 95.791 117.904 -30.345 1.00 0.00 C ATOM 1227 O SER A 80 94.937 118.363 -31.094 1.00 0.00 O ATOM 1228 CB SER A 80 95.308 116.734 -28.165 1.00 0.00 C ATOM 1229 OG SER A 80 95.374 115.556 -27.368 1.00 0.00 O ATOM 0 H SER A 80 97.212 115.381 -28.926 1.00 0.00 H new ATOM 0 HA SER A 80 94.758 116.047 -30.151 1.00 0.00 H new ATOM 0 HB2 SER A 80 96.017 117.461 -27.768 1.00 0.00 H new ATOM 0 HB3 SER A 80 94.314 117.168 -28.060 1.00 0.00 H new ATOM 0 HG SER A 80 96.258 115.493 -26.950 1.00 0.00 H new ATOM 1235 N ASN A 81 96.959 118.515 -30.063 1.00 0.00 N ATOM 1236 CA ASN A 81 97.189 119.815 -30.679 1.00 0.00 C ATOM 1237 C ASN A 81 97.415 119.687 -32.200 1.00 0.00 C ATOM 1238 O ASN A 81 96.846 120.429 -32.989 1.00 0.00 O ATOM 1239 CB ASN A 81 98.412 120.484 -30.036 1.00 0.00 C ATOM 1240 CG ASN A 81 98.182 121.994 -29.912 1.00 0.00 C ATOM 1241 OD1 ASN A 81 98.524 122.773 -30.792 1.00 0.00 O ATOM 1242 ND2 ASN A 81 97.579 122.345 -28.761 1.00 0.00 N ATOM 0 H ASN A 81 97.699 118.157 -29.460 1.00 0.00 H new ATOM 0 HA ASN A 81 96.301 120.425 -30.516 1.00 0.00 H new ATOM 0 HB2 ASN A 81 98.596 120.054 -29.051 1.00 0.00 H new ATOM 0 HB3 ASN A 81 99.300 120.292 -30.638 1.00 0.00 H new ATOM 0 HD21 ASN A 81 97.374 123.326 -28.571 1.00 0.00 H new ATOM 0 HD22 ASN A 81 97.327 121.630 -28.079 1.00 0.00 H new ATOM 1249 N ALA A 82 98.263 118.700 -32.557 1.00 0.00 N ATOM 1250 CA ALA A 82 98.657 118.573 -33.952 1.00 0.00 C ATOM 1251 C ALA A 82 97.479 118.180 -34.853 1.00 0.00 C ATOM 1252 O ALA A 82 97.263 118.750 -35.912 1.00 0.00 O ATOM 1253 CB ALA A 82 99.752 117.526 -34.098 1.00 0.00 C ATOM 0 H ALA A 82 98.667 118.013 -31.921 1.00 0.00 H new ATOM 0 HA ALA A 82 99.021 119.551 -34.266 1.00 0.00 H new ATOM 0 HB1 ALA A 82 100.037 117.441 -35.147 1.00 0.00 H new ATOM 0 HB2 ALA A 82 100.620 117.823 -33.509 1.00 0.00 H new ATOM 0 HB3 ALA A 82 99.384 116.563 -33.743 1.00 0.00 H new ATOM 1259 N ALA A 83 96.747 117.157 -34.386 1.00 0.00 N ATOM 1260 CA ALA A 83 95.582 116.722 -35.134 1.00 0.00 C ATOM 1261 C ALA A 83 94.587 117.870 -35.402 1.00 0.00 C ATOM 1262 O ALA A 83 93.990 117.950 -36.467 1.00 0.00 O ATOM 1263 CB ALA A 83 94.904 115.560 -34.415 1.00 0.00 C ATOM 0 H ALA A 83 96.938 116.640 -33.528 1.00 0.00 H new ATOM 0 HA ALA A 83 95.926 116.383 -36.111 1.00 0.00 H new ATOM 0 HB1 ALA A 83 94.031 115.240 -34.984 1.00 0.00 H new ATOM 0 HB2 ALA A 83 95.604 114.729 -34.326 1.00 0.00 H new ATOM 0 HB3 ALA A 83 94.592 115.879 -33.421 1.00 0.00 H new ATOM 1269 N THR A 84 94.440 118.735 -34.381 1.00 0.00 N ATOM 1270 CA THR A 84 93.706 119.967 -34.622 1.00 0.00 C ATOM 1271 C THR A 84 94.379 120.851 -35.699 1.00 0.00 C ATOM 1272 O THR A 84 93.699 121.428 -36.540 1.00 0.00 O ATOM 1273 CB THR A 84 93.612 120.739 -33.299 1.00 0.00 C ATOM 1274 OG1 THR A 84 93.205 119.908 -32.229 1.00 0.00 O ATOM 1275 CG2 THR A 84 92.749 122.002 -33.427 1.00 0.00 C ATOM 0 H THR A 84 94.801 118.607 -33.436 1.00 0.00 H new ATOM 0 HA THR A 84 92.715 119.711 -34.996 1.00 0.00 H new ATOM 0 HB THR A 84 94.619 121.081 -33.058 1.00 0.00 H new ATOM 0 HG1 THR A 84 93.992 119.623 -31.719 1.00 0.00 H new ATOM 0 HG21 THR A 84 92.711 122.516 -32.466 1.00 0.00 H new ATOM 0 HG22 THR A 84 93.183 122.665 -34.176 1.00 0.00 H new ATOM 0 HG23 THR A 84 91.739 121.724 -33.730 1.00 0.00 H new ATOM 1283 N LEU A 85 95.727 120.935 -35.646 1.00 0.00 N ATOM 1284 CA LEU A 85 96.421 121.710 -36.664 1.00 0.00 C ATOM 1285 C LEU A 85 96.176 121.176 -38.089 1.00 0.00 C ATOM 1286 O LEU A 85 95.970 121.939 -39.023 1.00 0.00 O ATOM 1287 CB LEU A 85 97.921 121.712 -36.389 1.00 0.00 C ATOM 1288 CG LEU A 85 98.306 122.503 -35.144 1.00 0.00 C ATOM 1289 CD1 LEU A 85 99.825 122.531 -34.970 1.00 0.00 C ATOM 1290 CD2 LEU A 85 97.737 123.919 -35.214 1.00 0.00 C ATOM 0 H LEU A 85 96.320 120.495 -34.942 1.00 0.00 H new ATOM 0 HA LEU A 85 96.020 122.722 -36.612 1.00 0.00 H new ATOM 0 HB2 LEU A 85 98.264 120.683 -36.278 1.00 0.00 H new ATOM 0 HB3 LEU A 85 98.441 122.130 -37.251 1.00 0.00 H new ATOM 0 HG LEU A 85 97.878 122.007 -34.273 1.00 0.00 H new ATOM 0 HD11 LEU A 85 100.078 123.100 -34.076 1.00 0.00 H new ATOM 0 HD12 LEU A 85 100.199 121.512 -34.869 1.00 0.00 H new ATOM 0 HD13 LEU A 85 100.282 123.001 -35.841 1.00 0.00 H new ATOM 0 HD21 LEU A 85 98.021 124.470 -34.317 1.00 0.00 H new ATOM 0 HD22 LEU A 85 98.133 124.427 -36.093 1.00 0.00 H new ATOM 0 HD23 LEU A 85 96.650 123.871 -35.281 1.00 0.00 H new ATOM 1302 N TYR A 86 96.228 119.834 -38.211 1.00 0.00 N ATOM 1303 CA TYR A 86 95.717 119.188 -39.415 1.00 0.00 C ATOM 1304 C TYR A 86 94.258 119.601 -39.682 1.00 0.00 C ATOM 1305 O TYR A 86 93.897 119.994 -40.783 1.00 0.00 O ATOM 1306 CB TYR A 86 96.047 117.665 -39.376 1.00 0.00 C ATOM 1307 CG TYR A 86 94.929 116.628 -39.338 1.00 0.00 C ATOM 1308 CD1 TYR A 86 93.798 116.694 -40.197 1.00 0.00 C ATOM 1309 CD2 TYR A 86 95.026 115.519 -38.453 1.00 0.00 C ATOM 1310 CE1 TYR A 86 92.783 115.710 -40.149 1.00 0.00 C ATOM 1311 CE2 TYR A 86 94.012 114.532 -38.397 1.00 0.00 C ATOM 1312 CZ TYR A 86 92.883 114.631 -39.241 1.00 0.00 C ATOM 1313 OH TYR A 86 91.885 113.680 -39.181 1.00 0.00 O ATOM 0 H TYR A 86 96.609 119.201 -37.508 1.00 0.00 H new ATOM 0 HA TYR A 86 96.228 119.540 -40.311 1.00 0.00 H new ATOM 0 HB2 TYR A 86 96.658 117.446 -40.252 1.00 0.00 H new ATOM 0 HB3 TYR A 86 96.673 117.494 -38.500 1.00 0.00 H new ATOM 0 HD1 TYR A 86 93.712 117.510 -40.899 1.00 0.00 H new ATOM 0 HD2 TYR A 86 95.890 115.428 -37.811 1.00 0.00 H new ATOM 0 HE1 TYR A 86 91.930 115.783 -40.807 1.00 0.00 H new ATOM 0 HE2 TYR A 86 94.102 113.704 -37.709 1.00 0.00 H new ATOM 0 HH TYR A 86 92.113 113.009 -38.505 1.00 0.00 H new ATOM 1323 N ALA A 87 93.452 119.473 -38.615 1.00 0.00 N ATOM 1324 CA ALA A 87 92.013 119.553 -38.813 1.00 0.00 C ATOM 1325 C ALA A 87 91.577 120.840 -39.550 1.00 0.00 C ATOM 1326 O ALA A 87 90.582 120.842 -40.264 1.00 0.00 O ATOM 1327 CB ALA A 87 91.321 119.470 -37.453 1.00 0.00 C ATOM 0 H ALA A 87 93.761 119.321 -37.655 1.00 0.00 H new ATOM 0 HA ALA A 87 91.719 118.717 -39.448 1.00 0.00 H new ATOM 0 HB1 ALA A 87 90.241 119.529 -37.590 1.00 0.00 H new ATOM 0 HB2 ALA A 87 91.575 118.525 -36.973 1.00 0.00 H new ATOM 0 HB3 ALA A 87 91.653 120.297 -36.825 1.00 0.00 H new ATOM 1333 N GLN A 88 92.359 121.920 -39.346 1.00 0.00 N ATOM 1334 CA GLN A 88 92.024 123.140 -40.068 1.00 0.00 C ATOM 1335 C GLN A 88 92.207 122.994 -41.594 1.00 0.00 C ATOM 1336 O GLN A 88 91.372 123.437 -42.374 1.00 0.00 O ATOM 1337 CB GLN A 88 92.809 124.339 -39.531 1.00 0.00 C ATOM 1338 CG GLN A 88 94.285 124.022 -39.328 1.00 0.00 C ATOM 1339 CD GLN A 88 95.115 125.304 -39.256 1.00 0.00 C ATOM 1340 OE1 GLN A 88 94.613 126.387 -38.978 1.00 0.00 O ATOM 1341 NE2 GLN A 88 96.417 125.101 -39.528 1.00 0.00 N ATOM 0 H GLN A 88 93.170 121.966 -38.729 1.00 0.00 H new ATOM 0 HA GLN A 88 90.964 123.323 -39.893 1.00 0.00 H new ATOM 0 HB2 GLN A 88 92.711 125.174 -40.225 1.00 0.00 H new ATOM 0 HB3 GLN A 88 92.375 124.659 -38.584 1.00 0.00 H new ATOM 0 HG2 GLN A 88 94.415 123.448 -38.410 1.00 0.00 H new ATOM 0 HG3 GLN A 88 94.643 123.398 -40.147 1.00 0.00 H new ATOM 0 HE21 GLN A 88 96.751 124.163 -39.750 1.00 0.00 H new ATOM 0 HE22 GLN A 88 97.070 125.885 -39.512 1.00 0.00 H new ATOM 1350 N GLU A 89 93.335 122.354 -41.974 1.00 0.00 N ATOM 1351 CA GLU A 89 93.915 122.559 -43.292 1.00 0.00 C ATOM 1352 C GLU A 89 93.836 121.263 -44.113 1.00 0.00 C ATOM 1353 O GLU A 89 93.271 121.223 -45.199 1.00 0.00 O ATOM 1354 CB GLU A 89 95.376 122.970 -43.122 1.00 0.00 C ATOM 1355 CG GLU A 89 95.509 124.459 -42.797 1.00 0.00 C ATOM 1356 CD GLU A 89 95.944 125.253 -44.033 1.00 0.00 C ATOM 1357 OE1 GLU A 89 95.503 124.918 -45.132 1.00 0.00 O ATOM 1358 OE2 GLU A 89 96.717 126.199 -43.882 1.00 0.00 O ATOM 0 H GLU A 89 93.848 121.700 -41.383 1.00 0.00 H new ATOM 0 HA GLU A 89 93.363 123.338 -43.818 1.00 0.00 H new ATOM 0 HB2 GLU A 89 95.830 122.381 -42.325 1.00 0.00 H new ATOM 0 HB3 GLU A 89 95.926 122.746 -44.036 1.00 0.00 H new ATOM 0 HG2 GLU A 89 94.556 124.842 -42.431 1.00 0.00 H new ATOM 0 HG3 GLU A 89 96.236 124.597 -41.997 1.00 0.00 H new ATOM 1365 N ASN A 90 94.439 120.215 -43.518 1.00 0.00 N ATOM 1366 CA ASN A 90 94.606 118.966 -44.238 1.00 0.00 C ATOM 1367 C ASN A 90 93.230 118.396 -44.625 1.00 0.00 C ATOM 1368 O ASN A 90 92.916 118.212 -45.795 1.00 0.00 O ATOM 1369 CB ASN A 90 95.433 118.027 -43.345 1.00 0.00 C ATOM 1370 CG ASN A 90 95.284 116.540 -43.703 1.00 0.00 C ATOM 1371 OD1 ASN A 90 95.098 116.160 -44.853 1.00 0.00 O ATOM 1372 ND2 ASN A 90 95.381 115.745 -42.624 1.00 0.00 N ATOM 0 H ASN A 90 94.805 120.219 -42.566 1.00 0.00 H new ATOM 0 HA ASN A 90 95.142 119.103 -45.177 1.00 0.00 H new ATOM 0 HB2 ASN A 90 96.485 118.305 -43.417 1.00 0.00 H new ATOM 0 HB3 ASN A 90 95.135 118.173 -42.307 1.00 0.00 H new ATOM 0 HD21 ASN A 90 95.299 114.734 -42.727 1.00 0.00 H new ATOM 0 HD22 ASN A 90 95.537 116.153 -41.702 1.00 0.00 H new ATOM 1379 N ALA A 91 92.440 118.133 -43.566 1.00 0.00 N ATOM 1380 CA ALA A 91 90.993 118.179 -43.729 1.00 0.00 C ATOM 1381 C ALA A 91 90.528 117.234 -44.856 1.00 0.00 C ATOM 1382 O ALA A 91 90.306 117.648 -45.987 1.00 0.00 O ATOM 1383 CB ALA A 91 90.554 119.622 -44.016 1.00 0.00 C ATOM 0 H ALA A 91 92.770 117.897 -42.630 1.00 0.00 H new ATOM 0 HA ALA A 91 90.527 117.840 -42.804 1.00 0.00 H new ATOM 0 HB1 ALA A 91 89.471 119.656 -44.138 1.00 0.00 H new ATOM 0 HB2 ALA A 91 90.846 120.263 -43.184 1.00 0.00 H new ATOM 0 HB3 ALA A 91 91.033 119.973 -44.930 1.00 0.00 H new ATOM 1389 N PRO A 92 90.393 115.938 -44.484 1.00 0.00 N ATOM 1390 CA PRO A 92 89.592 114.987 -45.238 1.00 0.00 C ATOM 1391 C PRO A 92 88.096 115.191 -44.984 1.00 0.00 C ATOM 1392 O PRO A 92 87.686 115.756 -43.978 1.00 0.00 O ATOM 1393 CB PRO A 92 90.033 113.606 -44.734 1.00 0.00 C ATOM 1394 CG PRO A 92 90.943 113.840 -43.520 1.00 0.00 C ATOM 1395 CD PRO A 92 91.101 115.354 -43.359 1.00 0.00 C ATOM 0 HA PRO A 92 89.739 115.106 -46.311 1.00 0.00 H new ATOM 0 HB2 PRO A 92 89.169 113.003 -44.457 1.00 0.00 H new ATOM 0 HB3 PRO A 92 90.564 113.062 -45.515 1.00 0.00 H new ATOM 0 HG2 PRO A 92 90.508 113.401 -42.622 1.00 0.00 H new ATOM 0 HG3 PRO A 92 91.913 113.365 -43.669 1.00 0.00 H new ATOM 0 HD2 PRO A 92 90.682 115.694 -42.412 1.00 0.00 H new ATOM 0 HD3 PRO A 92 92.152 115.642 -43.364 1.00 0.00 H new ATOM 1403 N GLU A 93 87.310 114.692 -45.962 1.00 0.00 N ATOM 1404 CA GLU A 93 86.845 115.575 -47.019 1.00 0.00 C ATOM 1405 C GLU A 93 86.043 116.741 -46.429 1.00 0.00 C ATOM 1406 O GLU A 93 84.819 116.770 -46.437 1.00 0.00 O ATOM 1407 CB GLU A 93 85.985 114.793 -48.009 1.00 0.00 C ATOM 1408 CG GLU A 93 85.447 115.679 -49.133 1.00 0.00 C ATOM 1409 CD GLU A 93 84.445 114.890 -49.979 1.00 0.00 C ATOM 1410 OE1 GLU A 93 83.425 114.467 -49.438 1.00 0.00 O ATOM 1411 OE2 GLU A 93 84.696 114.710 -51.170 1.00 0.00 O ATOM 0 H GLU A 93 87.002 113.722 -46.031 1.00 0.00 H new ATOM 0 HA GLU A 93 87.711 115.981 -47.543 1.00 0.00 H new ATOM 0 HB2 GLU A 93 86.574 113.982 -48.438 1.00 0.00 H new ATOM 0 HB3 GLU A 93 85.150 114.334 -47.479 1.00 0.00 H new ATOM 0 HG2 GLU A 93 84.967 116.563 -48.714 1.00 0.00 H new ATOM 0 HG3 GLU A 93 86.269 116.029 -49.758 1.00 0.00 H new ATOM 1418 N LEU A 94 86.849 117.687 -45.921 1.00 0.00 N ATOM 1419 CA LEU A 94 86.365 118.707 -45.001 1.00 0.00 C ATOM 1420 C LEU A 94 86.094 120.031 -45.743 1.00 0.00 C ATOM 1421 O LEU A 94 85.055 120.658 -45.573 1.00 0.00 O ATOM 1422 CB LEU A 94 87.399 118.901 -43.882 1.00 0.00 C ATOM 1423 CG LEU A 94 86.945 118.292 -42.559 1.00 0.00 C ATOM 1424 CD1 LEU A 94 88.154 118.096 -41.648 1.00 0.00 C ATOM 1425 CD2 LEU A 94 85.891 119.165 -41.880 1.00 0.00 C ATOM 0 H LEU A 94 87.843 117.759 -46.139 1.00 0.00 H new ATOM 0 HA LEU A 94 85.421 118.383 -44.564 1.00 0.00 H new ATOM 0 HB2 LEU A 94 88.344 118.448 -44.182 1.00 0.00 H new ATOM 0 HB3 LEU A 94 87.585 119.966 -43.744 1.00 0.00 H new ATOM 0 HG LEU A 94 86.486 117.324 -42.759 1.00 0.00 H new ATOM 0 HD11 LEU A 94 87.830 117.661 -40.702 1.00 0.00 H new ATOM 0 HD12 LEU A 94 88.868 117.428 -42.130 1.00 0.00 H new ATOM 0 HD13 LEU A 94 88.628 119.059 -41.461 1.00 0.00 H new ATOM 0 HD21 LEU A 94 85.588 118.704 -40.940 1.00 0.00 H new ATOM 0 HD22 LEU A 94 86.309 120.152 -41.682 1.00 0.00 H new ATOM 0 HD23 LEU A 94 85.024 119.262 -42.533 1.00 0.00 H new ATOM 1437 N LEU A 95 87.090 120.406 -46.568 1.00 0.00 N ATOM 1438 CA LEU A 95 87.574 121.773 -46.529 1.00 0.00 C ATOM 1439 C LEU A 95 88.700 121.951 -47.553 1.00 0.00 C ATOM 1440 O LEU A 95 88.575 122.683 -48.527 1.00 0.00 O ATOM 1441 CB LEU A 95 88.066 122.107 -45.119 1.00 0.00 C ATOM 1442 CG LEU A 95 88.563 123.550 -44.996 1.00 0.00 C ATOM 1443 CD1 LEU A 95 89.993 123.684 -45.521 1.00 0.00 C ATOM 1444 CD2 LEU A 95 87.624 124.522 -45.712 1.00 0.00 C ATOM 0 H LEU A 95 87.553 119.797 -47.242 1.00 0.00 H new ATOM 0 HA LEU A 95 86.763 122.455 -46.783 1.00 0.00 H new ATOM 0 HB2 LEU A 95 87.257 121.943 -44.407 1.00 0.00 H new ATOM 0 HB3 LEU A 95 88.872 121.425 -44.848 1.00 0.00 H new ATOM 0 HG LEU A 95 88.567 123.810 -43.938 1.00 0.00 H new ATOM 0 HD11 LEU A 95 90.321 124.719 -45.422 1.00 0.00 H new ATOM 0 HD12 LEU A 95 90.654 123.037 -44.945 1.00 0.00 H new ATOM 0 HD13 LEU A 95 90.024 123.392 -46.571 1.00 0.00 H new ATOM 0 HD21 LEU A 95 88.003 125.538 -45.607 1.00 0.00 H new ATOM 0 HD22 LEU A 95 87.569 124.263 -46.769 1.00 0.00 H new ATOM 0 HD23 LEU A 95 86.629 124.459 -45.271 1.00 0.00 H new ATOM 1456 N LYS A 96 89.804 121.234 -47.263 1.00 0.00 N ATOM 1457 CA LYS A 96 90.762 120.929 -48.310 1.00 0.00 C ATOM 1458 C LYS A 96 91.284 122.215 -48.967 1.00 0.00 C ATOM 1459 O LYS A 96 91.541 123.177 -48.243 1.00 0.00 O ATOM 1460 CB LYS A 96 90.104 120.013 -49.338 1.00 0.00 C ATOM 1461 CG LYS A 96 89.857 118.610 -48.782 1.00 0.00 C ATOM 1462 CD LYS A 96 91.157 117.820 -48.632 1.00 0.00 C ATOM 1463 CE LYS A 96 90.896 116.355 -48.269 1.00 0.00 C ATOM 1464 NZ LYS A 96 91.392 115.418 -49.272 1.00 0.00 N ATOM 1465 OXT LYS A 96 91.602 122.177 -50.155 1.00 0.00 O ATOM 0 H LYS A 96 90.038 120.871 -46.339 1.00 0.00 H new ATOM 0 HA LYS A 96 91.621 120.418 -47.875 1.00 0.00 H new ATOM 0 HB2 LYS A 96 89.157 120.448 -49.657 1.00 0.00 H new ATOM 0 HB3 LYS A 96 90.738 119.946 -50.222 1.00 0.00 H new ATOM 0 HG2 LYS A 96 89.364 118.685 -47.813 1.00 0.00 H new ATOM 0 HG3 LYS A 96 89.179 118.071 -49.444 1.00 0.00 H new ATOM 0 HD2 LYS A 96 91.721 117.868 -49.564 1.00 0.00 H new ATOM 0 HD3 LYS A 96 91.775 118.281 -47.861 1.00 0.00 H new ATOM 0 HE2 LYS A 96 91.367 116.135 -47.311 1.00 0.00 H new ATOM 0 HE3 LYS A 96 89.824 116.205 -48.139 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 91.186 114.445 -48.970 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 90.925 115.604 -50.182 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 92.420 115.537 -49.380 1.00 0.00 H new TER 1479 LYS A 96