USER MOD reduce.3.24.130724 H: found=0, std=0, add=577, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 579 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 Single : A 5 THR OG1 : rot 180:sc= 0 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 130:sc= -0.624 USER MOD Single : A 12 ASN : amide:sc= 0.0607 X(o=0.061,f=-0.27) USER MOD Single : A 16 ASN : amide:sc= -0.0395 K(o=-0.04,f=-1.6!) USER MOD Single : A 18 LYS NZ :NH3+ 153:sc= -2.22! (180deg=-3.8!) USER MOD Single : A 19 THR OG1 : rot -145:sc= -0.518 USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 THR OG1 : rot 59:sc= 0.228 USER MOD Single : A 28 LYS NZ :NH3+ 157:sc= -0.126 (180deg=-0.645) USER MOD Single : A 29 LYS NZ :NH3+ 165:sc= 0.0358 (180deg=0.0151) USER MOD Single : A 33 THR OG1 : rot -87:sc= -1.74! USER MOD Single : A 46 ASN : amide:sc= -0.526 X(o=-0.53,f=-0.028) 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= -1.76 F(o=-4,f=-1.8) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ -111:sc= -0.432 (180deg=-2.7!) USER MOD Single : A 64 LYS NZ :NH3+ -129:sc= -0.162 (180deg=-2.62!) USER MOD Single : A 65 SER OG : rot -109:sc= 1.31 USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 GLN : amide:sc= -0.0941 X(o=-0.094,f=-0.012) USER MOD Single : A 80 SER OG : rot 102:sc= 1.16 USER MOD Single : A 81 ASN : amide:sc= -0.184 K(o=-0.18,f=-2.1!) USER MOD ----------------------------------------------------------------- ATOM 53 N VAL A 4 101.036 114.314 -41.299 1.00 0.00 N ATOM 54 CA VAL A 4 102.228 113.969 -40.542 1.00 0.00 C ATOM 55 C VAL A 4 103.145 115.182 -40.288 1.00 0.00 C ATOM 56 O VAL A 4 103.725 115.323 -39.221 1.00 0.00 O ATOM 57 CB VAL A 4 102.997 112.881 -41.282 1.00 0.00 C ATOM 58 CG1 VAL A 4 102.124 111.643 -41.501 1.00 0.00 C ATOM 59 CG2 VAL A 4 103.569 113.413 -42.591 1.00 0.00 C ATOM 0 HA VAL A 4 101.904 113.609 -39.566 1.00 0.00 H new ATOM 0 HB VAL A 4 103.839 112.575 -40.661 1.00 0.00 H new ATOM 0 HG11 VAL A 4 102.697 110.883 -42.031 1.00 0.00 H new ATOM 0 HG12 VAL A 4 101.803 111.249 -40.537 1.00 0.00 H new ATOM 0 HG13 VAL A 4 101.249 111.915 -42.091 1.00 0.00 H new ATOM 0 HG21 VAL A 4 104.113 112.618 -43.100 1.00 0.00 H new ATOM 0 HG22 VAL A 4 102.756 113.762 -43.228 1.00 0.00 H new ATOM 0 HG23 VAL A 4 104.247 114.240 -42.382 1.00 0.00 H new ATOM 69 N THR A 5 103.263 116.041 -41.312 1.00 0.00 N ATOM 70 CA THR A 5 104.066 117.240 -41.109 1.00 0.00 C ATOM 71 C THR A 5 103.558 118.123 -39.951 1.00 0.00 C ATOM 72 O THR A 5 104.342 118.691 -39.201 1.00 0.00 O ATOM 73 CB THR A 5 104.185 118.051 -42.399 1.00 0.00 C ATOM 74 OG1 THR A 5 104.793 119.300 -42.159 1.00 0.00 O ATOM 75 CG2 THR A 5 102.843 118.226 -43.098 1.00 0.00 C ATOM 0 H THR A 5 102.838 115.934 -42.233 1.00 0.00 H new ATOM 0 HA THR A 5 105.059 116.893 -40.821 1.00 0.00 H new ATOM 0 HB THR A 5 104.825 117.481 -43.072 1.00 0.00 H new ATOM 0 HG1 THR A 5 104.859 119.799 -43.000 1.00 0.00 H new ATOM 0 HG21 THR A 5 102.980 118.809 -44.009 1.00 0.00 H new ATOM 0 HG22 THR A 5 102.434 117.248 -43.351 1.00 0.00 H new ATOM 0 HG23 THR A 5 102.153 118.747 -42.435 1.00 0.00 H new ATOM 83 N TYR A 6 102.220 118.215 -39.855 1.00 0.00 N ATOM 84 CA TYR A 6 101.647 118.833 -38.665 1.00 0.00 C ATOM 85 C TYR A 6 102.027 118.080 -37.373 1.00 0.00 C ATOM 86 O TYR A 6 102.251 118.697 -36.342 1.00 0.00 O ATOM 87 CB TYR A 6 100.121 118.927 -38.772 1.00 0.00 C ATOM 88 CG TYR A 6 99.677 119.964 -39.770 1.00 0.00 C ATOM 89 CD1 TYR A 6 100.111 121.308 -39.640 1.00 0.00 C ATOM 90 CD2 TYR A 6 98.808 119.623 -40.840 1.00 0.00 C ATOM 91 CE1 TYR A 6 99.684 122.297 -40.562 1.00 0.00 C ATOM 92 CE2 TYR A 6 98.381 120.607 -41.765 1.00 0.00 C ATOM 93 CZ TYR A 6 98.823 121.945 -41.629 1.00 0.00 C ATOM 94 OH TYR A 6 98.416 122.902 -42.535 1.00 0.00 O ATOM 0 H TYR A 6 101.552 117.886 -40.552 1.00 0.00 H new ATOM 0 HA TYR A 6 102.068 119.837 -38.608 1.00 0.00 H new ATOM 0 HB2 TYR A 6 99.719 117.955 -39.059 1.00 0.00 H new ATOM 0 HB3 TYR A 6 99.705 119.167 -37.793 1.00 0.00 H new ATOM 0 HD1 TYR A 6 100.773 121.581 -38.831 1.00 0.00 H new ATOM 0 HD2 TYR A 6 98.469 118.603 -40.950 1.00 0.00 H new ATOM 0 HE1 TYR A 6 100.016 123.319 -40.450 1.00 0.00 H new ATOM 0 HE2 TYR A 6 97.718 120.337 -42.574 1.00 0.00 H new ATOM 0 HH TYR A 6 97.829 122.491 -43.203 1.00 0.00 H new ATOM 104 N ILE A 7 102.068 116.734 -37.466 1.00 0.00 N ATOM 105 CA ILE A 7 102.505 115.963 -36.307 1.00 0.00 C ATOM 106 C ILE A 7 103.942 116.332 -35.887 1.00 0.00 C ATOM 107 O ILE A 7 104.236 116.515 -34.713 1.00 0.00 O ATOM 108 CB ILE A 7 102.405 114.467 -36.610 1.00 0.00 C ATOM 109 CG1 ILE A 7 101.005 114.103 -37.105 1.00 0.00 C ATOM 110 CG2 ILE A 7 102.784 113.634 -35.386 1.00 0.00 C ATOM 111 CD1 ILE A 7 99.934 114.558 -36.117 1.00 0.00 C ATOM 0 H ILE A 7 101.816 116.190 -38.291 1.00 0.00 H new ATOM 0 HA ILE A 7 101.848 116.207 -35.472 1.00 0.00 H new ATOM 0 HB ILE A 7 103.114 114.238 -37.405 1.00 0.00 H new ATOM 0 HG12 ILE A 7 100.828 114.566 -38.076 1.00 0.00 H new ATOM 0 HG13 ILE A 7 100.936 113.025 -37.249 1.00 0.00 H new ATOM 0 HG21 ILE A 7 102.704 112.574 -35.628 1.00 0.00 H new ATOM 0 HG22 ILE A 7 103.808 113.863 -35.093 1.00 0.00 H new ATOM 0 HG23 ILE A 7 102.110 113.869 -34.563 1.00 0.00 H new ATOM 0 HD11 ILE A 7 98.949 114.285 -36.497 1.00 0.00 H new ATOM 0 HD12 ILE A 7 100.098 114.075 -35.154 1.00 0.00 H new ATOM 0 HD13 ILE A 7 99.988 115.640 -35.994 1.00 0.00 H new ATOM 123 N ILE A 8 104.808 116.426 -36.915 1.00 0.00 N ATOM 124 CA ILE A 8 106.164 116.908 -36.709 1.00 0.00 C ATOM 125 C ILE A 8 106.169 118.303 -36.051 1.00 0.00 C ATOM 126 O ILE A 8 106.851 118.538 -35.061 1.00 0.00 O ATOM 127 CB ILE A 8 106.879 116.971 -38.065 1.00 0.00 C ATOM 128 CG1 ILE A 8 106.884 115.613 -38.777 1.00 0.00 C ATOM 129 CG2 ILE A 8 108.306 117.494 -37.898 1.00 0.00 C ATOM 130 CD1 ILE A 8 107.139 115.747 -40.280 1.00 0.00 C ATOM 0 H ILE A 8 104.586 116.176 -37.878 1.00 0.00 H new ATOM 0 HA ILE A 8 106.682 116.222 -36.039 1.00 0.00 H new ATOM 0 HB ILE A 8 106.320 117.665 -38.693 1.00 0.00 H new ATOM 0 HG12 ILE A 8 107.651 114.977 -38.336 1.00 0.00 H new ATOM 0 HG13 ILE A 8 105.927 115.117 -38.616 1.00 0.00 H new ATOM 0 HG21 ILE A 8 108.796 117.531 -38.871 1.00 0.00 H new ATOM 0 HG22 ILE A 8 108.279 118.495 -37.467 1.00 0.00 H new ATOM 0 HG23 ILE A 8 108.862 116.829 -37.237 1.00 0.00 H new ATOM 0 HD11 ILE A 8 107.133 114.759 -40.740 1.00 0.00 H new ATOM 0 HD12 ILE A 8 106.357 116.360 -40.728 1.00 0.00 H new ATOM 0 HD13 ILE A 8 108.108 116.218 -40.444 1.00 0.00 H new ATOM 142 N LYS A 9 105.367 119.201 -36.659 1.00 0.00 N ATOM 143 CA LYS A 9 105.255 120.557 -36.145 1.00 0.00 C ATOM 144 C LYS A 9 104.831 120.576 -34.665 1.00 0.00 C ATOM 145 O LYS A 9 105.455 121.217 -33.828 1.00 0.00 O ATOM 146 CB LYS A 9 104.208 121.298 -36.977 1.00 0.00 C ATOM 147 CG LYS A 9 104.330 122.816 -36.836 1.00 0.00 C ATOM 148 CD LYS A 9 105.072 123.443 -38.018 1.00 0.00 C ATOM 149 CE LYS A 9 106.584 123.236 -37.916 1.00 0.00 C ATOM 150 NZ LYS A 9 107.343 124.385 -38.398 1.00 0.00 N ATOM 0 H LYS A 9 104.804 119.007 -37.487 1.00 0.00 H new ATOM 0 HA LYS A 9 106.231 121.038 -36.215 1.00 0.00 H new ATOM 0 HB2 LYS A 9 104.317 121.022 -38.026 1.00 0.00 H new ATOM 0 HB3 LYS A 9 103.211 120.985 -36.667 1.00 0.00 H new ATOM 0 HG2 LYS A 9 103.335 123.254 -36.759 1.00 0.00 H new ATOM 0 HG3 LYS A 9 104.855 123.053 -35.911 1.00 0.00 H new ATOM 0 HD2 LYS A 9 104.708 123.007 -38.948 1.00 0.00 H new ATOM 0 HD3 LYS A 9 104.853 124.510 -38.059 1.00 0.00 H new ATOM 0 HE2 LYS A 9 106.850 123.039 -36.878 1.00 0.00 H new ATOM 0 HE3 LYS A 9 106.865 122.353 -38.490 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 108.361 124.192 -38.306 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 107.112 124.559 -39.397 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 107.098 125.224 -37.835 1.00 0.00 H new ATOM 164 N ALA A 10 103.737 119.834 -34.402 1.00 0.00 N ATOM 165 CA ALA A 10 103.125 119.901 -33.084 1.00 0.00 C ATOM 166 C ALA A 10 104.033 119.268 -32.017 1.00 0.00 C ATOM 167 O ALA A 10 104.236 119.834 -30.949 1.00 0.00 O ATOM 168 CB ALA A 10 101.760 119.203 -33.091 1.00 0.00 C ATOM 0 H ALA A 10 103.281 119.207 -35.065 1.00 0.00 H new ATOM 0 HA ALA A 10 102.986 120.953 -32.835 1.00 0.00 H new ATOM 0 HB1 ALA A 10 101.316 119.262 -32.097 1.00 0.00 H new ATOM 0 HB2 ALA A 10 101.105 119.693 -33.811 1.00 0.00 H new ATOM 0 HB3 ALA A 10 101.888 118.157 -33.369 1.00 0.00 H new ATOM 174 N SER A 11 104.566 118.073 -32.356 1.00 0.00 N ATOM 175 CA SER A 11 105.570 117.490 -31.479 1.00 0.00 C ATOM 176 C SER A 11 106.735 118.458 -31.186 1.00 0.00 C ATOM 177 O SER A 11 107.169 118.614 -30.051 1.00 0.00 O ATOM 178 CB SER A 11 106.130 116.204 -32.110 1.00 0.00 C ATOM 179 OG SER A 11 107.267 115.660 -31.451 1.00 0.00 O ATOM 0 H SER A 11 104.327 117.529 -33.185 1.00 0.00 H new ATOM 0 HA SER A 11 105.076 117.269 -30.533 1.00 0.00 H new ATOM 0 HB2 SER A 11 105.342 115.451 -32.125 1.00 0.00 H new ATOM 0 HB3 SER A 11 106.394 116.410 -33.147 1.00 0.00 H new ATOM 0 HG SER A 11 107.121 114.706 -31.281 1.00 0.00 H new ATOM 185 N ASN A 12 107.199 119.076 -32.296 1.00 0.00 N ATOM 186 CA ASN A 12 108.250 120.089 -32.312 1.00 0.00 C ATOM 187 C ASN A 12 109.542 119.481 -32.856 1.00 0.00 C ATOM 188 O ASN A 12 110.540 119.343 -32.159 1.00 0.00 O ATOM 189 CB ASN A 12 108.494 120.715 -30.937 1.00 0.00 C ATOM 190 CG ASN A 12 109.190 122.069 -31.090 1.00 0.00 C ATOM 191 OD1 ASN A 12 108.619 123.122 -30.829 1.00 0.00 O ATOM 192 ND2 ASN A 12 110.456 121.965 -31.529 1.00 0.00 N ATOM 0 H ASN A 12 106.834 118.870 -33.226 1.00 0.00 H new ATOM 0 HA ASN A 12 107.914 120.894 -32.965 1.00 0.00 H new ATOM 0 HB2 ASN A 12 107.546 120.842 -30.414 1.00 0.00 H new ATOM 0 HB3 ASN A 12 109.107 120.049 -30.330 1.00 0.00 H new ATOM 0 HD21 ASN A 12 111.018 122.805 -31.668 1.00 0.00 H new ATOM 0 HD22 ASN A 12 110.855 121.046 -31.723 1.00 0.00 H new ATOM 199 N ASP A 13 109.445 119.127 -34.153 1.00 0.00 N ATOM 200 CA ASP A 13 110.621 118.634 -34.859 1.00 0.00 C ATOM 201 C ASP A 13 111.310 117.483 -34.102 1.00 0.00 C ATOM 202 O ASP A 13 112.519 117.479 -33.906 1.00 0.00 O ATOM 203 CB ASP A 13 111.610 119.780 -35.074 1.00 0.00 C ATOM 204 CG ASP A 13 112.464 119.500 -36.313 1.00 0.00 C ATOM 205 OD1 ASP A 13 112.881 118.356 -36.491 1.00 0.00 O ATOM 206 OD2 ASP A 13 112.703 120.427 -37.083 1.00 0.00 O ATOM 0 H ASP A 13 108.591 119.174 -34.709 1.00 0.00 H new ATOM 0 HA ASP A 13 110.290 118.242 -35.821 1.00 0.00 H new ATOM 0 HB2 ASP A 13 111.071 120.720 -35.197 1.00 0.00 H new ATOM 0 HB3 ASP A 13 112.249 119.891 -34.198 1.00 0.00 H new ATOM 211 N VAL A 14 110.464 116.515 -33.696 1.00 0.00 N ATOM 212 CA VAL A 14 110.951 115.172 -33.427 1.00 0.00 C ATOM 213 C VAL A 14 110.735 114.289 -34.662 1.00 0.00 C ATOM 214 O VAL A 14 111.674 113.784 -35.264 1.00 0.00 O ATOM 215 CB VAL A 14 110.197 114.615 -32.219 1.00 0.00 C ATOM 216 CG1 VAL A 14 110.480 113.127 -32.003 1.00 0.00 C ATOM 217 CG2 VAL A 14 110.536 115.414 -30.961 1.00 0.00 C ATOM 0 H VAL A 14 109.463 116.646 -33.553 1.00 0.00 H new ATOM 0 HA VAL A 14 112.018 115.190 -33.206 1.00 0.00 H new ATOM 0 HB VAL A 14 109.132 114.716 -32.425 1.00 0.00 H new ATOM 0 HG11 VAL A 14 109.924 112.773 -31.135 1.00 0.00 H new ATOM 0 HG12 VAL A 14 110.171 112.566 -32.885 1.00 0.00 H new ATOM 0 HG13 VAL A 14 111.547 112.980 -31.835 1.00 0.00 H new ATOM 0 HG21 VAL A 14 109.990 115.004 -30.111 1.00 0.00 H new ATOM 0 HG22 VAL A 14 111.607 115.352 -30.769 1.00 0.00 H new ATOM 0 HG23 VAL A 14 110.253 116.457 -31.105 1.00 0.00 H new ATOM 227 N LEU A 15 109.437 114.140 -34.992 1.00 0.00 N ATOM 228 CA LEU A 15 109.089 113.128 -35.970 1.00 0.00 C ATOM 229 C LEU A 15 109.681 113.508 -37.331 1.00 0.00 C ATOM 230 O LEU A 15 110.135 114.624 -37.553 1.00 0.00 O ATOM 231 CB LEU A 15 107.566 112.999 -36.107 1.00 0.00 C ATOM 232 CG LEU A 15 106.821 112.544 -34.845 1.00 0.00 C ATOM 233 CD1 LEU A 15 107.247 111.156 -34.358 1.00 0.00 C ATOM 234 CD2 LEU A 15 106.919 113.569 -33.717 1.00 0.00 C ATOM 0 H LEU A 15 108.660 114.681 -34.612 1.00 0.00 H new ATOM 0 HA LEU A 15 109.494 112.173 -35.634 1.00 0.00 H new ATOM 0 HB2 LEU A 15 107.164 113.964 -36.416 1.00 0.00 H new ATOM 0 HB3 LEU A 15 107.350 112.293 -36.909 1.00 0.00 H new ATOM 0 HG LEU A 15 105.775 112.467 -35.141 1.00 0.00 H new ATOM 0 HD11 LEU A 15 106.682 110.895 -33.463 1.00 0.00 H new ATOM 0 HD12 LEU A 15 107.051 110.421 -35.138 1.00 0.00 H new ATOM 0 HD13 LEU A 15 108.312 111.163 -34.126 1.00 0.00 H new ATOM 0 HD21 LEU A 15 106.377 113.203 -32.845 1.00 0.00 H new ATOM 0 HD22 LEU A 15 107.966 113.723 -33.455 1.00 0.00 H new ATOM 0 HD23 LEU A 15 106.484 114.513 -34.045 1.00 0.00 H new ATOM 246 N ASN A 16 109.638 112.497 -38.218 1.00 0.00 N ATOM 247 CA ASN A 16 109.591 112.785 -39.645 1.00 0.00 C ATOM 248 C ASN A 16 108.119 112.791 -40.094 1.00 0.00 C ATOM 249 O ASN A 16 107.213 112.965 -39.289 1.00 0.00 O ATOM 250 CB ASN A 16 110.429 111.744 -40.401 1.00 0.00 C ATOM 251 CG ASN A 16 111.900 111.836 -39.982 1.00 0.00 C ATOM 252 OD1 ASN A 16 112.303 112.715 -39.228 1.00 0.00 O ATOM 253 ND2 ASN A 16 112.663 110.871 -40.524 1.00 0.00 N ATOM 0 H ASN A 16 109.635 111.507 -37.974 1.00 0.00 H new ATOM 0 HA ASN A 16 110.016 113.764 -39.865 1.00 0.00 H new ATOM 0 HB2 ASN A 16 110.048 110.743 -40.197 1.00 0.00 H new ATOM 0 HB3 ASN A 16 110.339 111.906 -41.475 1.00 0.00 H new ATOM 0 HD21 ASN A 16 113.661 110.833 -40.316 1.00 0.00 H new ATOM 0 HD22 ASN A 16 112.244 110.177 -41.143 1.00 0.00 H new ATOM 260 N GLU A 17 107.930 112.591 -41.414 1.00 0.00 N ATOM 261 CA GLU A 17 106.745 111.868 -41.862 1.00 0.00 C ATOM 262 C GLU A 17 106.602 110.508 -41.153 1.00 0.00 C ATOM 263 O GLU A 17 105.579 110.204 -40.552 1.00 0.00 O ATOM 264 CB GLU A 17 106.818 111.660 -43.375 1.00 0.00 C ATOM 265 CG GLU A 17 106.611 112.966 -44.143 1.00 0.00 C ATOM 266 CD GLU A 17 107.153 112.824 -45.567 1.00 0.00 C ATOM 267 OE1 GLU A 17 106.400 112.404 -46.443 1.00 0.00 O ATOM 268 OE2 GLU A 17 108.325 113.135 -45.783 1.00 0.00 O ATOM 0 H GLU A 17 108.558 112.908 -42.153 1.00 0.00 H new ATOM 0 HA GLU A 17 105.869 112.465 -41.608 1.00 0.00 H new ATOM 0 HB2 GLU A 17 107.787 111.235 -43.636 1.00 0.00 H new ATOM 0 HB3 GLU A 17 106.061 110.937 -43.679 1.00 0.00 H new ATOM 0 HG2 GLU A 17 105.551 113.217 -44.171 1.00 0.00 H new ATOM 0 HG3 GLU A 17 107.119 113.784 -43.631 1.00 0.00 H new ATOM 275 N LYS A 18 107.688 109.723 -41.267 1.00 0.00 N ATOM 276 CA LYS A 18 107.544 108.291 -41.065 1.00 0.00 C ATOM 277 C LYS A 18 107.120 107.957 -39.624 1.00 0.00 C ATOM 278 O LYS A 18 106.180 107.205 -39.397 1.00 0.00 O ATOM 279 CB LYS A 18 108.866 107.598 -41.390 1.00 0.00 C ATOM 280 CG LYS A 18 109.215 107.711 -42.871 1.00 0.00 C ATOM 281 CD LYS A 18 110.272 106.687 -43.280 1.00 0.00 C ATOM 282 CE LYS A 18 110.927 107.042 -44.614 1.00 0.00 C ATOM 283 NZ LYS A 18 111.260 105.862 -45.405 1.00 0.00 N ATOM 0 H LYS A 18 108.630 110.046 -41.488 1.00 0.00 H new ATOM 0 HA LYS A 18 106.759 107.933 -41.731 1.00 0.00 H new ATOM 0 HB2 LYS A 18 109.664 108.040 -40.794 1.00 0.00 H new ATOM 0 HB3 LYS A 18 108.804 106.546 -41.110 1.00 0.00 H new ATOM 0 HG2 LYS A 18 108.316 107.565 -43.469 1.00 0.00 H new ATOM 0 HG3 LYS A 18 109.580 108.716 -43.084 1.00 0.00 H new ATOM 0 HD2 LYS A 18 111.037 106.626 -42.506 1.00 0.00 H new ATOM 0 HD3 LYS A 18 109.813 105.701 -43.353 1.00 0.00 H new ATOM 0 HE2 LYS A 18 110.255 107.681 -45.186 1.00 0.00 H new ATOM 0 HE3 LYS A 18 111.833 107.618 -44.428 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 111.261 106.110 -46.415 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 112.202 105.516 -45.133 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 110.554 105.118 -45.232 1.00 0.00 H new ATOM 297 N THR A 19 107.859 108.561 -38.675 1.00 0.00 N ATOM 298 CA THR A 19 107.477 108.399 -37.279 1.00 0.00 C ATOM 299 C THR A 19 106.145 109.091 -36.927 1.00 0.00 C ATOM 300 O THR A 19 105.412 108.631 -36.060 1.00 0.00 O ATOM 301 CB THR A 19 108.601 108.928 -36.386 1.00 0.00 C ATOM 302 OG1 THR A 19 108.911 110.265 -36.706 1.00 0.00 O ATOM 303 CG2 THR A 19 109.851 108.047 -36.478 1.00 0.00 C ATOM 0 H THR A 19 108.683 109.137 -38.845 1.00 0.00 H new ATOM 0 HA THR A 19 107.321 107.334 -37.107 1.00 0.00 H new ATOM 0 HB THR A 19 108.245 108.895 -35.356 1.00 0.00 H new ATOM 0 HG1 THR A 19 109.873 110.414 -36.592 1.00 0.00 H new ATOM 0 HG21 THR A 19 110.630 108.452 -35.831 1.00 0.00 H new ATOM 0 HG22 THR A 19 109.606 107.033 -36.161 1.00 0.00 H new ATOM 0 HG23 THR A 19 110.208 108.028 -37.508 1.00 0.00 H new ATOM 311 N ALA A 20 105.872 110.212 -37.619 1.00 0.00 N ATOM 312 CA ALA A 20 104.622 110.906 -37.366 1.00 0.00 C ATOM 313 C ALA A 20 103.397 110.029 -37.693 1.00 0.00 C ATOM 314 O ALA A 20 102.458 109.953 -36.912 1.00 0.00 O ATOM 315 CB ALA A 20 104.594 112.175 -38.220 1.00 0.00 C ATOM 0 H ALA A 20 106.477 110.632 -38.324 1.00 0.00 H new ATOM 0 HA ALA A 20 104.568 111.150 -36.305 1.00 0.00 H new ATOM 0 HB1 ALA A 20 103.662 112.711 -38.044 1.00 0.00 H new ATOM 0 HB2 ALA A 20 105.436 112.813 -37.951 1.00 0.00 H new ATOM 0 HB3 ALA A 20 104.665 111.906 -39.274 1.00 0.00 H new ATOM 321 N THR A 21 103.449 109.374 -38.872 1.00 0.00 N ATOM 322 CA THR A 21 102.349 108.468 -39.188 1.00 0.00 C ATOM 323 C THR A 21 102.293 107.234 -38.265 1.00 0.00 C ATOM 324 O THR A 21 101.228 106.791 -37.858 1.00 0.00 O ATOM 325 CB THR A 21 102.379 108.077 -40.669 1.00 0.00 C ATOM 326 OG1 THR A 21 101.252 107.299 -41.003 1.00 0.00 O ATOM 327 CG2 THR A 21 103.664 107.379 -41.121 1.00 0.00 C ATOM 0 H THR A 21 104.188 109.451 -39.570 1.00 0.00 H new ATOM 0 HA THR A 21 101.425 109.013 -38.998 1.00 0.00 H new ATOM 0 HB THR A 21 102.353 109.021 -41.214 1.00 0.00 H new ATOM 0 HG1 THR A 21 101.289 107.061 -41.953 1.00 0.00 H new ATOM 0 HG21 THR A 21 103.594 107.140 -42.182 1.00 0.00 H new ATOM 0 HG22 THR A 21 104.515 108.039 -40.953 1.00 0.00 H new ATOM 0 HG23 THR A 21 103.799 106.460 -40.550 1.00 0.00 H new ATOM 335 N ILE A 22 103.494 106.708 -37.973 1.00 0.00 N ATOM 336 CA ILE A 22 103.574 105.496 -37.170 1.00 0.00 C ATOM 337 C ILE A 22 103.027 105.728 -35.750 1.00 0.00 C ATOM 338 O ILE A 22 102.181 104.988 -35.261 1.00 0.00 O ATOM 339 CB ILE A 22 105.042 105.073 -37.086 1.00 0.00 C ATOM 340 CG1 ILE A 22 105.596 104.727 -38.474 1.00 0.00 C ATOM 341 CG2 ILE A 22 105.269 103.947 -36.065 1.00 0.00 C ATOM 342 CD1 ILE A 22 105.591 103.230 -38.775 1.00 0.00 C ATOM 0 H ILE A 22 104.390 107.093 -38.273 1.00 0.00 H new ATOM 0 HA ILE A 22 102.970 104.719 -37.638 1.00 0.00 H new ATOM 0 HB ILE A 22 105.607 105.928 -36.715 1.00 0.00 H new ATOM 0 HG12 ILE A 22 105.006 105.244 -39.231 1.00 0.00 H new ATOM 0 HG13 ILE A 22 106.616 105.102 -38.553 1.00 0.00 H new ATOM 0 HG21 ILE A 22 106.326 103.683 -36.043 1.00 0.00 H new ATOM 0 HG22 ILE A 22 104.959 104.285 -35.076 1.00 0.00 H new ATOM 0 HG23 ILE A 22 104.683 103.073 -36.350 1.00 0.00 H new ATOM 0 HD11 ILE A 22 105.996 103.058 -39.772 1.00 0.00 H new ATOM 0 HD12 ILE A 22 106.204 102.709 -38.040 1.00 0.00 H new ATOM 0 HD13 ILE A 22 104.569 102.853 -38.728 1.00 0.00 H new ATOM 354 N LEU A 23 103.562 106.798 -35.130 1.00 0.00 N ATOM 355 CA LEU A 23 103.019 107.247 -33.857 1.00 0.00 C ATOM 356 C LEU A 23 101.491 107.450 -33.916 1.00 0.00 C ATOM 357 O LEU A 23 100.784 107.151 -32.965 1.00 0.00 O ATOM 358 CB LEU A 23 103.730 108.546 -33.444 1.00 0.00 C ATOM 359 CG LEU A 23 102.995 109.364 -32.375 1.00 0.00 C ATOM 360 CD1 LEU A 23 102.783 108.532 -31.110 1.00 0.00 C ATOM 361 CD2 LEU A 23 103.744 110.661 -32.064 1.00 0.00 C ATOM 0 H LEU A 23 104.346 107.346 -35.486 1.00 0.00 H new ATOM 0 HA LEU A 23 103.198 106.473 -33.110 1.00 0.00 H new ATOM 0 HB2 LEU A 23 104.725 108.298 -33.073 1.00 0.00 H new ATOM 0 HB3 LEU A 23 103.866 109.168 -34.329 1.00 0.00 H new ATOM 0 HG LEU A 23 102.015 109.635 -32.769 1.00 0.00 H new ATOM 0 HD11 LEU A 23 102.260 109.131 -30.364 1.00 0.00 H new ATOM 0 HD12 LEU A 23 102.188 107.650 -31.350 1.00 0.00 H new ATOM 0 HD13 LEU A 23 103.749 108.221 -30.713 1.00 0.00 H new ATOM 0 HD21 LEU A 23 103.201 111.221 -31.303 1.00 0.00 H new ATOM 0 HD22 LEU A 23 104.743 110.425 -31.697 1.00 0.00 H new ATOM 0 HD23 LEU A 23 103.823 111.262 -32.970 1.00 0.00 H new ATOM 373 N ILE A 24 101.031 107.986 -35.062 1.00 0.00 N ATOM 374 CA ILE A 24 99.608 108.220 -35.222 1.00 0.00 C ATOM 375 C ILE A 24 98.807 106.907 -35.257 1.00 0.00 C ATOM 376 O ILE A 24 97.774 106.781 -34.615 1.00 0.00 O ATOM 377 CB ILE A 24 99.410 109.059 -36.480 1.00 0.00 C ATOM 378 CG1 ILE A 24 99.923 110.465 -36.189 1.00 0.00 C ATOM 379 CG2 ILE A 24 97.962 109.057 -36.983 1.00 0.00 C ATOM 380 CD1 ILE A 24 98.834 111.358 -35.596 1.00 0.00 C ATOM 0 H ILE A 24 101.611 108.253 -35.858 1.00 0.00 H new ATOM 0 HA ILE A 24 99.222 108.763 -34.360 1.00 0.00 H new ATOM 0 HB ILE A 24 99.979 108.618 -37.298 1.00 0.00 H new ATOM 0 HG12 ILE A 24 100.763 110.409 -35.497 1.00 0.00 H new ATOM 0 HG13 ILE A 24 100.298 110.912 -37.110 1.00 0.00 H new ATOM 0 HG21 ILE A 24 97.888 109.672 -37.880 1.00 0.00 H new ATOM 0 HG22 ILE A 24 97.659 108.036 -37.217 1.00 0.00 H new ATOM 0 HG23 ILE A 24 97.308 109.462 -36.211 1.00 0.00 H new ATOM 0 HD11 ILE A 24 99.242 112.350 -35.404 1.00 0.00 H new ATOM 0 HD12 ILE A 24 98.005 111.436 -36.299 1.00 0.00 H new ATOM 0 HD13 ILE A 24 98.477 110.925 -34.661 1.00 0.00 H new ATOM 392 N THR A 25 99.334 105.948 -36.041 1.00 0.00 N ATOM 393 CA THR A 25 98.604 104.698 -36.180 1.00 0.00 C ATOM 394 C THR A 25 98.395 104.008 -34.818 1.00 0.00 C ATOM 395 O THR A 25 97.294 103.589 -34.482 1.00 0.00 O ATOM 396 CB THR A 25 99.372 103.764 -37.127 1.00 0.00 C ATOM 397 OG1 THR A 25 100.092 104.433 -38.147 1.00 0.00 O ATOM 398 CG2 THR A 25 98.450 102.693 -37.714 1.00 0.00 C ATOM 0 H THR A 25 100.212 106.015 -36.556 1.00 0.00 H new ATOM 0 HA THR A 25 97.620 104.921 -36.592 1.00 0.00 H new ATOM 0 HB THR A 25 100.127 103.280 -36.508 1.00 0.00 H new ATOM 0 HG1 THR A 25 100.733 105.053 -37.742 1.00 0.00 H new ATOM 0 HG21 THR A 25 99.021 102.047 -38.380 1.00 0.00 H new ATOM 0 HG22 THR A 25 98.025 102.097 -36.907 1.00 0.00 H new ATOM 0 HG23 THR A 25 97.646 103.172 -38.274 1.00 0.00 H new ATOM 406 N ILE A 26 99.506 103.916 -34.060 1.00 0.00 N ATOM 407 CA ILE A 26 99.375 103.462 -32.682 1.00 0.00 C ATOM 408 C ILE A 26 98.458 104.385 -31.859 1.00 0.00 C ATOM 409 O ILE A 26 97.537 103.942 -31.184 1.00 0.00 O ATOM 410 CB ILE A 26 100.746 103.404 -32.008 1.00 0.00 C ATOM 411 CG1 ILE A 26 101.790 102.625 -32.814 1.00 0.00 C ATOM 412 CG2 ILE A 26 100.610 102.807 -30.610 1.00 0.00 C ATOM 413 CD1 ILE A 26 103.153 103.310 -32.740 1.00 0.00 C ATOM 0 H ILE A 26 100.453 104.139 -34.367 1.00 0.00 H new ATOM 0 HA ILE A 26 98.930 102.468 -32.716 1.00 0.00 H new ATOM 0 HB ILE A 26 101.108 104.430 -31.947 1.00 0.00 H new ATOM 0 HG12 ILE A 26 101.868 101.608 -32.430 1.00 0.00 H new ATOM 0 HG13 ILE A 26 101.472 102.550 -33.854 1.00 0.00 H new ATOM 0 HG21 ILE A 26 101.590 102.768 -30.134 1.00 0.00 H new ATOM 0 HG22 ILE A 26 99.941 103.427 -30.013 1.00 0.00 H new ATOM 0 HG23 ILE A 26 100.202 101.799 -30.683 1.00 0.00 H new ATOM 0 HD11 ILE A 26 103.879 102.740 -33.319 1.00 0.00 H new ATOM 0 HD12 ILE A 26 103.076 104.318 -33.147 1.00 0.00 H new ATOM 0 HD13 ILE A 26 103.478 103.362 -31.701 1.00 0.00 H new ATOM 425 N ALA A 27 98.777 105.688 -31.966 1.00 0.00 N ATOM 426 CA ALA A 27 98.146 106.680 -31.099 1.00 0.00 C ATOM 427 C ALA A 27 96.609 106.593 -31.135 1.00 0.00 C ATOM 428 O ALA A 27 95.951 106.598 -30.102 1.00 0.00 O ATOM 429 CB ALA A 27 98.554 108.086 -31.548 1.00 0.00 C ATOM 0 H ALA A 27 99.453 106.065 -32.630 1.00 0.00 H new ATOM 0 HA ALA A 27 98.481 106.476 -30.082 1.00 0.00 H new ATOM 0 HB1 ALA A 27 98.083 108.826 -30.901 1.00 0.00 H new ATOM 0 HB2 ALA A 27 99.638 108.188 -31.486 1.00 0.00 H new ATOM 0 HB3 ALA A 27 98.232 108.247 -32.577 1.00 0.00 H new ATOM 435 N LYS A 28 96.081 106.513 -32.373 1.00 0.00 N ATOM 436 CA LYS A 28 94.647 106.343 -32.542 1.00 0.00 C ATOM 437 C LYS A 28 94.151 105.092 -31.799 1.00 0.00 C ATOM 438 O LYS A 28 93.277 105.154 -30.941 1.00 0.00 O ATOM 439 CB LYS A 28 94.321 106.262 -34.039 1.00 0.00 C ATOM 440 CG LYS A 28 93.896 107.620 -34.596 1.00 0.00 C ATOM 441 CD LYS A 28 92.553 108.075 -34.026 1.00 0.00 C ATOM 442 CE LYS A 28 91.919 109.181 -34.872 1.00 0.00 C ATOM 443 NZ LYS A 28 91.657 108.752 -36.241 1.00 0.00 N ATOM 0 H LYS A 28 96.617 106.563 -33.239 1.00 0.00 H new ATOM 0 HA LYS A 28 94.131 107.201 -32.111 1.00 0.00 H new ATOM 0 HB2 LYS A 28 95.194 105.902 -34.583 1.00 0.00 H new ATOM 0 HB3 LYS A 28 93.524 105.536 -34.200 1.00 0.00 H new ATOM 0 HG2 LYS A 28 94.659 108.363 -34.364 1.00 0.00 H new ATOM 0 HG3 LYS A 28 93.828 107.562 -35.682 1.00 0.00 H new ATOM 0 HD2 LYS A 28 91.874 107.224 -33.973 1.00 0.00 H new ATOM 0 HD3 LYS A 28 92.694 108.434 -33.006 1.00 0.00 H new ATOM 0 HE2 LYS A 28 90.985 109.499 -34.409 1.00 0.00 H new ATOM 0 HE3 LYS A 28 92.579 110.048 -34.886 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 90.908 109.345 -36.653 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 92.525 108.847 -36.807 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 91.351 107.758 -36.241 1.00 0.00 H new ATOM 457 N LYS A 29 94.769 103.962 -32.190 1.00 0.00 N ATOM 458 CA LYS A 29 94.207 102.669 -31.857 1.00 0.00 C ATOM 459 C LYS A 29 94.825 102.167 -30.546 1.00 0.00 C ATOM 460 O LYS A 29 96.030 101.979 -30.428 1.00 0.00 O ATOM 461 CB LYS A 29 94.528 101.677 -32.968 1.00 0.00 C ATOM 462 CG LYS A 29 93.868 100.333 -32.702 1.00 0.00 C ATOM 463 CD LYS A 29 94.035 99.393 -33.890 1.00 0.00 C ATOM 464 CE LYS A 29 92.823 99.422 -34.821 1.00 0.00 C ATOM 465 NZ LYS A 29 91.854 98.379 -34.505 1.00 0.00 N ATOM 0 H LYS A 29 95.637 103.931 -32.724 1.00 0.00 H new ATOM 0 HA LYS A 29 93.127 102.762 -31.744 1.00 0.00 H new ATOM 0 HB2 LYS A 29 94.185 102.072 -33.924 1.00 0.00 H new ATOM 0 HB3 LYS A 29 95.608 101.548 -33.045 1.00 0.00 H new ATOM 0 HG2 LYS A 29 94.305 99.880 -31.812 1.00 0.00 H new ATOM 0 HG3 LYS A 29 92.808 100.480 -32.497 1.00 0.00 H new ATOM 0 HD2 LYS A 29 94.928 99.672 -34.449 1.00 0.00 H new ATOM 0 HD3 LYS A 29 94.190 98.376 -33.528 1.00 0.00 H new ATOM 0 HE2 LYS A 29 92.339 100.396 -34.753 1.00 0.00 H new ATOM 0 HE3 LYS A 29 93.157 99.303 -35.852 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 90.952 98.588 -34.979 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 92.213 97.460 -34.834 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 91.704 98.344 -33.476 1.00 0.00 H new ATOM 479 N ASP A 30 93.914 101.965 -29.580 1.00 0.00 N ATOM 480 CA ASP A 30 94.310 101.495 -28.271 1.00 0.00 C ATOM 481 C ASP A 30 94.377 99.962 -28.273 1.00 0.00 C ATOM 482 O ASP A 30 93.370 99.279 -28.408 1.00 0.00 O ATOM 483 CB ASP A 30 93.276 101.965 -27.251 1.00 0.00 C ATOM 484 CG ASP A 30 93.319 103.490 -27.122 1.00 0.00 C ATOM 485 OD1 ASP A 30 94.412 104.037 -26.986 1.00 0.00 O ATOM 486 OD2 ASP A 30 92.259 104.111 -27.160 1.00 0.00 O ATOM 0 H ASP A 30 92.912 102.122 -29.692 1.00 0.00 H new ATOM 0 HA ASP A 30 95.292 101.891 -28.013 1.00 0.00 H new ATOM 0 HB2 ASP A 30 92.280 101.646 -27.558 1.00 0.00 H new ATOM 0 HB3 ASP A 30 93.474 101.505 -26.283 1.00 0.00 H new ATOM 491 N PHE A 31 95.626 99.479 -28.124 1.00 0.00 N ATOM 492 CA PHE A 31 95.931 98.101 -28.494 1.00 0.00 C ATOM 493 C PHE A 31 95.593 97.860 -29.975 1.00 0.00 C ATOM 494 O PHE A 31 94.788 97.005 -30.325 1.00 0.00 O ATOM 495 CB PHE A 31 95.178 97.084 -27.619 1.00 0.00 C ATOM 496 CG PHE A 31 95.549 97.160 -26.160 1.00 0.00 C ATOM 497 CD1 PHE A 31 94.900 98.096 -25.313 1.00 0.00 C ATOM 498 CD2 PHE A 31 96.531 96.297 -25.607 1.00 0.00 C ATOM 499 CE1 PHE A 31 95.209 98.155 -23.931 1.00 0.00 C ATOM 500 CE2 PHE A 31 96.842 96.351 -24.225 1.00 0.00 C ATOM 501 CZ PHE A 31 96.176 97.277 -23.387 1.00 0.00 C ATOM 0 H PHE A 31 96.415 100.013 -27.759 1.00 0.00 H new ATOM 0 HA PHE A 31 96.999 97.954 -28.331 1.00 0.00 H new ATOM 0 HB2 PHE A 31 94.106 97.250 -27.723 1.00 0.00 H new ATOM 0 HB3 PHE A 31 95.382 96.078 -27.986 1.00 0.00 H new ATOM 0 HD1 PHE A 31 94.164 98.770 -25.726 1.00 0.00 H new ATOM 0 HD2 PHE A 31 97.046 95.593 -26.245 1.00 0.00 H new ATOM 0 HE1 PHE A 31 94.707 98.869 -23.294 1.00 0.00 H new ATOM 0 HE2 PHE A 31 97.586 95.686 -23.812 1.00 0.00 H new ATOM 0 HZ PHE A 31 96.406 97.313 -22.332 1.00 0.00 H new ATOM 511 N ILE A 32 96.269 98.676 -30.808 1.00 0.00 N ATOM 512 CA ILE A 32 96.903 98.212 -32.031 1.00 0.00 C ATOM 513 C ILE A 32 97.756 96.956 -31.772 1.00 0.00 C ATOM 514 O ILE A 32 97.603 96.269 -30.772 1.00 0.00 O ATOM 515 CB ILE A 32 97.707 99.383 -32.630 1.00 0.00 C ATOM 516 CG1 ILE A 32 97.786 99.257 -34.148 1.00 0.00 C ATOM 517 CG2 ILE A 32 99.100 99.528 -32.018 1.00 0.00 C ATOM 518 CD1 ILE A 32 98.023 100.610 -34.816 1.00 0.00 C ATOM 0 H ILE A 32 96.384 99.675 -30.640 1.00 0.00 H new ATOM 0 HA ILE A 32 96.153 97.903 -32.759 1.00 0.00 H new ATOM 0 HB ILE A 32 97.167 100.296 -32.378 1.00 0.00 H new ATOM 0 HG12 ILE A 32 98.592 98.573 -34.415 1.00 0.00 H new ATOM 0 HG13 ILE A 32 96.861 98.822 -34.526 1.00 0.00 H new ATOM 0 HG21 ILE A 32 99.615 100.369 -32.481 1.00 0.00 H new ATOM 0 HG22 ILE A 32 99.010 99.704 -30.946 1.00 0.00 H new ATOM 0 HG23 ILE A 32 99.670 98.615 -32.189 1.00 0.00 H new ATOM 0 HD11 ILE A 32 98.073 100.478 -35.897 1.00 0.00 H new ATOM 0 HD12 ILE A 32 97.204 101.286 -34.570 1.00 0.00 H new ATOM 0 HD13 ILE A 32 98.962 101.033 -34.458 1.00 0.00 H new ATOM 530 N THR A 33 98.651 96.694 -32.742 1.00 0.00 N ATOM 531 CA THR A 33 99.983 96.237 -32.373 1.00 0.00 C ATOM 532 C THR A 33 101.003 96.820 -33.358 1.00 0.00 C ATOM 533 O THR A 33 100.665 97.563 -34.274 1.00 0.00 O ATOM 534 CB THR A 33 100.046 94.700 -32.378 1.00 0.00 C ATOM 535 OG1 THR A 33 100.127 94.157 -33.677 1.00 0.00 O ATOM 536 CG2 THR A 33 98.881 94.073 -31.601 1.00 0.00 C ATOM 0 H THR A 33 98.479 96.788 -33.743 1.00 0.00 H new ATOM 0 HA THR A 33 100.217 96.579 -31.365 1.00 0.00 H new ATOM 0 HB THR A 33 100.973 94.444 -31.865 1.00 0.00 H new ATOM 0 HG1 THR A 33 99.224 94.036 -34.038 1.00 0.00 H new ATOM 0 HG21 THR A 33 98.966 92.987 -31.631 1.00 0.00 H new ATOM 0 HG22 THR A 33 98.911 94.411 -30.565 1.00 0.00 H new ATOM 0 HG23 THR A 33 97.937 94.376 -32.054 1.00 0.00 H new ATOM 544 N ALA A 34 102.267 96.436 -33.113 1.00 0.00 N ATOM 545 CA ALA A 34 103.254 96.565 -34.180 1.00 0.00 C ATOM 546 C ALA A 34 102.801 95.906 -35.502 1.00 0.00 C ATOM 547 O ALA A 34 103.034 96.433 -36.582 1.00 0.00 O ATOM 548 CB ALA A 34 104.580 95.958 -33.722 1.00 0.00 C ATOM 0 H ALA A 34 102.611 96.054 -32.232 1.00 0.00 H new ATOM 0 HA ALA A 34 103.373 97.629 -34.384 1.00 0.00 H new ATOM 0 HB1 ALA A 34 105.318 96.054 -34.518 1.00 0.00 H new ATOM 0 HB2 ALA A 34 104.933 96.483 -32.835 1.00 0.00 H new ATOM 0 HB3 ALA A 34 104.435 94.904 -33.486 1.00 0.00 H new ATOM 554 N ALA A 35 102.151 94.735 -35.352 1.00 0.00 N ATOM 555 CA ALA A 35 101.644 94.028 -36.519 1.00 0.00 C ATOM 556 C ALA A 35 100.662 94.898 -37.330 1.00 0.00 C ATOM 557 O ALA A 35 100.776 95.010 -38.545 1.00 0.00 O ATOM 558 CB ALA A 35 100.979 92.713 -36.086 1.00 0.00 C ATOM 0 H ALA A 35 101.974 94.278 -34.457 1.00 0.00 H new ATOM 0 HA ALA A 35 102.487 93.802 -37.171 1.00 0.00 H new ATOM 0 HB1 ALA A 35 100.602 92.189 -36.965 1.00 0.00 H new ATOM 0 HB2 ALA A 35 101.710 92.086 -35.576 1.00 0.00 H new ATOM 0 HB3 ALA A 35 100.152 92.929 -35.410 1.00 0.00 H new ATOM 564 N GLU A 36 99.693 95.491 -36.606 1.00 0.00 N ATOM 565 CA GLU A 36 98.729 96.326 -37.305 1.00 0.00 C ATOM 566 C GLU A 36 99.394 97.538 -37.989 1.00 0.00 C ATOM 567 O GLU A 36 99.039 97.895 -39.105 1.00 0.00 O ATOM 568 CB GLU A 36 97.614 96.782 -36.353 1.00 0.00 C ATOM 569 CG GLU A 36 96.239 96.395 -36.890 1.00 0.00 C ATOM 570 CD GLU A 36 95.208 96.395 -35.760 1.00 0.00 C ATOM 571 OE1 GLU A 36 95.351 95.595 -34.835 1.00 0.00 O ATOM 572 OE2 GLU A 36 94.273 97.192 -35.816 1.00 0.00 O ATOM 0 H GLU A 36 99.568 95.410 -35.597 1.00 0.00 H new ATOM 0 HA GLU A 36 98.288 95.716 -38.093 1.00 0.00 H new ATOM 0 HB2 GLU A 36 97.764 96.333 -35.371 1.00 0.00 H new ATOM 0 HB3 GLU A 36 97.665 97.863 -36.220 1.00 0.00 H new ATOM 0 HG2 GLU A 36 95.935 97.095 -37.669 1.00 0.00 H new ATOM 0 HG3 GLU A 36 96.285 95.408 -37.349 1.00 0.00 H new ATOM 579 N VAL A 37 100.362 98.152 -37.275 1.00 0.00 N ATOM 580 CA VAL A 37 101.087 99.243 -37.910 1.00 0.00 C ATOM 581 C VAL A 37 101.807 98.775 -39.193 1.00 0.00 C ATOM 582 O VAL A 37 101.744 99.428 -40.227 1.00 0.00 O ATOM 583 CB VAL A 37 102.097 99.821 -36.916 1.00 0.00 C ATOM 584 CG1 VAL A 37 102.970 100.894 -37.572 1.00 0.00 C ATOM 585 CG2 VAL A 37 101.391 100.383 -35.680 1.00 0.00 C ATOM 0 H VAL A 37 100.638 97.922 -36.320 1.00 0.00 H new ATOM 0 HA VAL A 37 100.371 100.012 -38.200 1.00 0.00 H new ATOM 0 HB VAL A 37 102.747 99.006 -36.597 1.00 0.00 H new ATOM 0 HG11 VAL A 37 103.677 101.285 -36.840 1.00 0.00 H new ATOM 0 HG12 VAL A 37 103.517 100.457 -38.408 1.00 0.00 H new ATOM 0 HG13 VAL A 37 102.339 101.705 -37.936 1.00 0.00 H new ATOM 0 HG21 VAL A 37 102.132 100.787 -34.990 1.00 0.00 H new ATOM 0 HG22 VAL A 37 100.705 101.175 -35.981 1.00 0.00 H new ATOM 0 HG23 VAL A 37 100.832 99.588 -35.187 1.00 0.00 H new ATOM 595 N ARG A 38 102.488 97.617 -39.068 1.00 0.00 N ATOM 596 CA ARG A 38 103.042 96.977 -40.250 1.00 0.00 C ATOM 597 C ARG A 38 101.982 96.768 -41.355 1.00 0.00 C ATOM 598 O ARG A 38 102.229 97.014 -42.529 1.00 0.00 O ATOM 599 CB ARG A 38 103.654 95.638 -39.848 1.00 0.00 C ATOM 600 CG ARG A 38 104.937 95.820 -39.037 1.00 0.00 C ATOM 601 CD ARG A 38 106.031 94.826 -39.445 1.00 0.00 C ATOM 602 NE ARG A 38 106.203 93.793 -38.440 1.00 0.00 N ATOM 603 CZ ARG A 38 105.288 92.809 -38.372 1.00 0.00 C ATOM 604 NH1 ARG A 38 104.974 92.115 -39.462 1.00 0.00 N ATOM 605 NH2 ARG A 38 104.697 92.530 -37.213 1.00 0.00 N ATOM 0 H ARG A 38 102.657 97.130 -38.188 1.00 0.00 H new ATOM 0 HA ARG A 38 103.806 97.634 -40.665 1.00 0.00 H new ATOM 0 HB2 ARG A 38 102.932 95.070 -39.262 1.00 0.00 H new ATOM 0 HB3 ARG A 38 103.869 95.054 -40.743 1.00 0.00 H new ATOM 0 HG2 ARG A 38 105.306 96.837 -39.169 1.00 0.00 H new ATOM 0 HG3 ARG A 38 104.714 95.697 -37.977 1.00 0.00 H new ATOM 0 HD2 ARG A 38 105.773 94.368 -40.400 1.00 0.00 H new ATOM 0 HD3 ARG A 38 106.972 95.356 -39.590 1.00 0.00 H new ATOM 0 HE ARG A 38 106.998 93.813 -37.801 1.00 0.00 H new ATOM 0 HH11 ARG A 38 105.427 92.328 -40.351 1.00 0.00 H new ATOM 0 HH12 ARG A 38 104.280 91.369 -39.409 1.00 0.00 H new ATOM 0 HH21 ARG A 38 104.938 93.062 -36.377 1.00 0.00 H new ATOM 0 HH22 ARG A 38 104.003 91.784 -37.161 1.00 0.00 H new ATOM 619 N GLU A 39 100.799 96.301 -40.909 1.00 0.00 N ATOM 620 CA GLU A 39 99.775 95.911 -41.866 1.00 0.00 C ATOM 621 C GLU A 39 99.158 97.127 -42.585 1.00 0.00 C ATOM 622 O GLU A 39 98.912 97.100 -43.784 1.00 0.00 O ATOM 623 CB GLU A 39 98.682 95.146 -41.124 1.00 0.00 C ATOM 624 CG GLU A 39 99.219 93.854 -40.514 1.00 0.00 C ATOM 625 CD GLU A 39 98.679 92.619 -41.244 1.00 0.00 C ATOM 626 OE1 GLU A 39 97.597 92.155 -40.888 1.00 0.00 O ATOM 627 OE2 GLU A 39 99.347 92.138 -42.158 1.00 0.00 O ATOM 0 H GLU A 39 100.545 96.191 -39.927 1.00 0.00 H new ATOM 0 HA GLU A 39 100.239 95.285 -42.628 1.00 0.00 H new ATOM 0 HB2 GLU A 39 98.266 95.775 -40.337 1.00 0.00 H new ATOM 0 HB3 GLU A 39 97.868 94.914 -41.811 1.00 0.00 H new ATOM 0 HG2 GLU A 39 100.308 93.856 -40.557 1.00 0.00 H new ATOM 0 HG3 GLU A 39 98.942 93.805 -39.461 1.00 0.00 H new ATOM 719 N ASN A 46 108.159 98.070 -44.706 1.00 0.00 N ATOM 720 CA ASN A 46 108.222 97.743 -43.282 1.00 0.00 C ATOM 721 C ASN A 46 109.451 98.291 -42.532 1.00 0.00 C ATOM 722 O ASN A 46 109.361 98.611 -41.355 1.00 0.00 O ATOM 723 CB ASN A 46 108.171 96.228 -43.082 1.00 0.00 C ATOM 724 CG ASN A 46 109.303 95.522 -43.840 1.00 0.00 C ATOM 725 OD1 ASN A 46 109.146 95.091 -44.976 1.00 0.00 O ATOM 726 ND2 ASN A 46 110.447 95.438 -43.136 1.00 0.00 N ATOM 0 HA ASN A 46 107.352 98.239 -42.852 1.00 0.00 H new ATOM 0 HB2 ASN A 46 108.245 95.998 -42.019 1.00 0.00 H new ATOM 0 HB3 ASN A 46 107.209 95.847 -43.425 1.00 0.00 H new ATOM 0 HD21 ASN A 46 111.266 94.989 -43.546 1.00 0.00 H new ATOM 0 HD22 ASN A 46 110.495 95.824 -42.193 1.00 0.00 H new ATOM 733 N ALA A 47 110.601 98.355 -43.233 1.00 0.00 N ATOM 734 CA ALA A 47 111.846 98.458 -42.477 1.00 0.00 C ATOM 735 C ALA A 47 111.858 99.681 -41.531 1.00 0.00 C ATOM 736 O ALA A 47 112.217 99.585 -40.362 1.00 0.00 O ATOM 737 CB ALA A 47 113.027 98.537 -43.445 1.00 0.00 C ATOM 0 H ALA A 47 110.687 98.338 -44.249 1.00 0.00 H new ATOM 0 HA ALA A 47 111.930 97.567 -41.855 1.00 0.00 H new ATOM 0 HB1 ALA A 47 113.956 98.614 -42.880 1.00 0.00 H new ATOM 0 HB2 ALA A 47 113.051 97.640 -44.063 1.00 0.00 H new ATOM 0 HB3 ALA A 47 112.917 99.414 -44.083 1.00 0.00 H new ATOM 743 N VAL A 48 111.428 100.823 -42.104 1.00 0.00 N ATOM 744 CA VAL A 48 111.304 102.004 -41.261 1.00 0.00 C ATOM 745 C VAL A 48 110.294 101.797 -40.116 1.00 0.00 C ATOM 746 O VAL A 48 110.516 102.247 -39.003 1.00 0.00 O ATOM 747 CB VAL A 48 110.895 103.216 -42.100 1.00 0.00 C ATOM 748 CG1 VAL A 48 111.867 103.435 -43.258 1.00 0.00 C ATOM 749 CG2 VAL A 48 109.465 103.089 -42.614 1.00 0.00 C ATOM 0 H VAL A 48 111.177 100.942 -43.086 1.00 0.00 H new ATOM 0 HA VAL A 48 112.281 102.183 -40.813 1.00 0.00 H new ATOM 0 HB VAL A 48 110.936 104.089 -41.448 1.00 0.00 H new ATOM 0 HG11 VAL A 48 111.553 104.303 -43.838 1.00 0.00 H new ATOM 0 HG12 VAL A 48 112.869 103.605 -42.865 1.00 0.00 H new ATOM 0 HG13 VAL A 48 111.874 102.553 -43.899 1.00 0.00 H new ATOM 0 HG21 VAL A 48 109.211 103.969 -43.205 1.00 0.00 H new ATOM 0 HG22 VAL A 48 109.379 102.197 -43.235 1.00 0.00 H new ATOM 0 HG23 VAL A 48 108.780 103.010 -41.769 1.00 0.00 H new ATOM 759 N VAL A 49 109.188 101.104 -40.445 1.00 0.00 N ATOM 760 CA VAL A 49 108.084 100.968 -39.506 1.00 0.00 C ATOM 761 C VAL A 49 108.522 100.296 -38.189 1.00 0.00 C ATOM 762 O VAL A 49 108.133 100.717 -37.107 1.00 0.00 O ATOM 763 CB VAL A 49 106.961 100.158 -40.167 1.00 0.00 C ATOM 764 CG1 VAL A 49 105.810 99.880 -39.202 1.00 0.00 C ATOM 765 CG2 VAL A 49 106.451 100.853 -41.427 1.00 0.00 C ATOM 0 H VAL A 49 109.046 100.640 -41.342 1.00 0.00 H new ATOM 0 HA VAL A 49 107.728 101.966 -39.252 1.00 0.00 H new ATOM 0 HB VAL A 49 107.388 99.196 -40.452 1.00 0.00 H new ATOM 0 HG11 VAL A 49 105.038 99.304 -39.713 1.00 0.00 H new ATOM 0 HG12 VAL A 49 106.180 99.313 -38.348 1.00 0.00 H new ATOM 0 HG13 VAL A 49 105.389 100.824 -38.856 1.00 0.00 H new ATOM 0 HG21 VAL A 49 105.656 100.257 -41.875 1.00 0.00 H new ATOM 0 HG22 VAL A 49 106.064 101.838 -41.168 1.00 0.00 H new ATOM 0 HG23 VAL A 49 107.269 100.961 -42.140 1.00 0.00 H new ATOM 775 N ASN A 50 109.346 99.238 -38.339 1.00 0.00 N ATOM 776 CA ASN A 50 110.015 98.681 -37.169 1.00 0.00 C ATOM 777 C ASN A 50 110.798 99.755 -36.385 1.00 0.00 C ATOM 778 O ASN A 50 110.701 99.852 -35.168 1.00 0.00 O ATOM 779 CB ASN A 50 110.978 97.574 -37.616 1.00 0.00 C ATOM 780 CG ASN A 50 111.006 96.451 -36.575 1.00 0.00 C ATOM 781 OD1 ASN A 50 111.847 96.415 -35.686 1.00 0.00 O ATOM 782 ND2 ASN A 50 110.028 95.544 -36.752 1.00 0.00 N ATOM 0 H ASN A 50 109.552 98.775 -39.224 1.00 0.00 H new ATOM 0 HA ASN A 50 109.249 98.278 -36.506 1.00 0.00 H new ATOM 0 HB2 ASN A 50 110.666 97.178 -38.582 1.00 0.00 H new ATOM 0 HB3 ASN A 50 111.979 97.983 -37.748 1.00 0.00 H new ATOM 0 HD21 ASN A 50 109.948 94.750 -36.117 1.00 0.00 H new ATOM 0 HD22 ASN A 50 109.367 95.650 -37.521 1.00 0.00 H new ATOM 789 N SER A 51 111.570 100.550 -37.153 1.00 0.00 N ATOM 790 CA SER A 51 112.355 101.584 -36.493 1.00 0.00 C ATOM 791 C SER A 51 111.474 102.632 -35.776 1.00 0.00 C ATOM 792 O SER A 51 111.772 103.040 -34.662 1.00 0.00 O ATOM 793 CB SER A 51 113.271 102.265 -37.522 1.00 0.00 C ATOM 794 OG SER A 51 113.807 103.518 -37.118 1.00 0.00 O ATOM 0 H SER A 51 111.659 100.497 -38.168 1.00 0.00 H new ATOM 0 HA SER A 51 112.956 101.102 -35.721 1.00 0.00 H new ATOM 0 HB2 SER A 51 114.097 101.592 -37.752 1.00 0.00 H new ATOM 0 HB3 SER A 51 112.710 102.408 -38.446 1.00 0.00 H new ATOM 0 HG SER A 51 114.376 103.875 -37.831 1.00 0.00 H new ATOM 800 N ASN A 52 110.395 103.049 -36.470 1.00 0.00 N ATOM 801 CA ASN A 52 109.596 104.190 -36.048 1.00 0.00 C ATOM 802 C ASN A 52 108.807 103.943 -34.746 1.00 0.00 C ATOM 803 O ASN A 52 108.636 104.828 -33.919 1.00 0.00 O ATOM 804 CB ASN A 52 108.599 104.508 -37.160 1.00 0.00 C ATOM 805 CG ASN A 52 109.320 104.890 -38.461 1.00 0.00 C ATOM 806 OD1 ASN A 52 108.790 104.306 -39.550 1.00 0.00 O flip ATOM 807 ND2 ASN A 52 110.286 105.644 -38.468 1.00 0.00 N flip ATOM 0 H ASN A 52 110.066 102.603 -37.326 1.00 0.00 H new ATOM 0 HA ASN A 52 110.284 105.013 -35.853 1.00 0.00 H new ATOM 0 HB2 ASN A 52 107.959 103.643 -37.336 1.00 0.00 H new ATOM 0 HB3 ASN A 52 107.950 105.326 -36.847 1.00 0.00 H new ATOM 0 HD21 ASN A 52 110.626 106.046 -37.594 1.00 0.00 H new ATOM 0 HD22 ASN A 52 110.750 105.870 -39.348 1.00 0.00 H new ATOM 814 N ILE A 53 108.285 102.713 -34.631 1.00 0.00 N ATOM 815 CA ILE A 53 107.641 102.354 -33.383 1.00 0.00 C ATOM 816 C ILE A 53 108.659 102.303 -32.226 1.00 0.00 C ATOM 817 O ILE A 53 108.443 102.864 -31.160 1.00 0.00 O ATOM 818 CB ILE A 53 106.961 100.996 -33.543 1.00 0.00 C ATOM 819 CG1 ILE A 53 105.998 100.959 -34.733 1.00 0.00 C ATOM 820 CG2 ILE A 53 106.205 100.606 -32.278 1.00 0.00 C ATOM 821 CD1 ILE A 53 105.669 99.523 -35.123 1.00 0.00 C ATOM 0 H ILE A 53 108.298 101.991 -35.352 1.00 0.00 H new ATOM 0 HA ILE A 53 106.898 103.114 -33.140 1.00 0.00 H new ATOM 0 HB ILE A 53 107.761 100.279 -33.728 1.00 0.00 H new ATOM 0 HG12 ILE A 53 105.081 101.490 -34.480 1.00 0.00 H new ATOM 0 HG13 ILE A 53 106.443 101.478 -35.582 1.00 0.00 H new ATOM 0 HG21 ILE A 53 105.731 99.635 -32.422 1.00 0.00 H new ATOM 0 HG22 ILE A 53 106.901 100.550 -31.441 1.00 0.00 H new ATOM 0 HG23 ILE A 53 105.441 101.354 -32.065 1.00 0.00 H new ATOM 0 HD11 ILE A 53 104.983 99.524 -35.970 1.00 0.00 H new ATOM 0 HD12 ILE A 53 106.586 99.002 -35.399 1.00 0.00 H new ATOM 0 HD13 ILE A 53 105.202 99.015 -34.279 1.00 0.00 H new ATOM 833 N GLY A 54 109.770 101.592 -32.496 1.00 0.00 N ATOM 834 CA GLY A 54 110.810 101.499 -31.486 1.00 0.00 C ATOM 835 C GLY A 54 111.376 102.862 -31.059 1.00 0.00 C ATOM 836 O GLY A 54 111.614 103.113 -29.888 1.00 0.00 O ATOM 0 H GLY A 54 109.956 101.098 -33.369 1.00 0.00 H new ATOM 0 HA2 GLY A 54 110.409 100.991 -30.609 1.00 0.00 H new ATOM 0 HA3 GLY A 54 111.622 100.881 -31.869 1.00 0.00 H new ATOM 840 N VAL A 55 111.594 103.713 -32.073 1.00 0.00 N ATOM 841 CA VAL A 55 112.209 105.000 -31.791 1.00 0.00 C ATOM 842 C VAL A 55 111.286 105.931 -30.968 1.00 0.00 C ATOM 843 O VAL A 55 111.746 106.688 -30.123 1.00 0.00 O ATOM 844 CB VAL A 55 112.670 105.648 -33.096 1.00 0.00 C ATOM 845 CG1 VAL A 55 111.500 106.246 -33.856 1.00 0.00 C ATOM 846 CG2 VAL A 55 113.744 106.700 -32.838 1.00 0.00 C ATOM 0 H VAL A 55 111.363 103.538 -33.051 1.00 0.00 H new ATOM 0 HA VAL A 55 113.083 104.829 -31.162 1.00 0.00 H new ATOM 0 HB VAL A 55 113.107 104.865 -33.716 1.00 0.00 H new ATOM 0 HG11 VAL A 55 111.860 106.700 -34.780 1.00 0.00 H new ATOM 0 HG12 VAL A 55 110.781 105.462 -34.093 1.00 0.00 H new ATOM 0 HG13 VAL A 55 111.018 107.007 -33.242 1.00 0.00 H new ATOM 0 HG21 VAL A 55 114.053 107.144 -33.784 1.00 0.00 H new ATOM 0 HG22 VAL A 55 113.344 107.476 -32.186 1.00 0.00 H new ATOM 0 HG23 VAL A 55 114.604 106.232 -32.359 1.00 0.00 H new ATOM 856 N LEU A 56 109.968 105.841 -31.257 1.00 0.00 N ATOM 857 CA LEU A 56 108.995 106.356 -30.300 1.00 0.00 C ATOM 858 C LEU A 56 109.195 105.728 -28.901 1.00 0.00 C ATOM 859 O LEU A 56 109.243 106.423 -27.894 1.00 0.00 O ATOM 860 CB LEU A 56 107.604 105.976 -30.820 1.00 0.00 C ATOM 861 CG LEU A 56 107.027 106.943 -31.859 1.00 0.00 C ATOM 862 CD1 LEU A 56 108.091 107.671 -32.677 1.00 0.00 C ATOM 863 CD2 LEU A 56 106.106 106.182 -32.804 1.00 0.00 C ATOM 0 H LEU A 56 109.578 105.434 -32.107 1.00 0.00 H new ATOM 0 HA LEU A 56 109.114 107.435 -30.203 1.00 0.00 H new ATOM 0 HB2 LEU A 56 107.654 104.979 -31.258 1.00 0.00 H new ATOM 0 HB3 LEU A 56 106.918 105.919 -29.975 1.00 0.00 H new ATOM 0 HG LEU A 56 106.481 107.705 -31.302 1.00 0.00 H new ATOM 0 HD11 LEU A 56 107.608 108.338 -33.391 1.00 0.00 H new ATOM 0 HD12 LEU A 56 108.727 108.253 -32.010 1.00 0.00 H new ATOM 0 HD13 LEU A 56 108.699 106.943 -33.214 1.00 0.00 H new ATOM 0 HD21 LEU A 56 105.695 106.869 -33.543 1.00 0.00 H new ATOM 0 HD22 LEU A 56 106.671 105.399 -33.310 1.00 0.00 H new ATOM 0 HD23 LEU A 56 105.292 105.732 -32.235 1.00 0.00 H new ATOM 875 N ILE A 57 109.335 104.388 -28.893 1.00 0.00 N ATOM 876 CA ILE A 57 109.417 103.722 -27.600 1.00 0.00 C ATOM 877 C ILE A 57 110.647 104.181 -26.785 1.00 0.00 C ATOM 878 O ILE A 57 110.564 104.408 -25.584 1.00 0.00 O ATOM 879 CB ILE A 57 109.459 102.206 -27.802 1.00 0.00 C ATOM 880 CG1 ILE A 57 108.239 101.719 -28.599 1.00 0.00 C ATOM 881 CG2 ILE A 57 109.639 101.477 -26.466 1.00 0.00 C ATOM 882 CD1 ILE A 57 107.244 100.872 -27.804 1.00 0.00 C ATOM 0 H ILE A 57 109.390 103.787 -29.715 1.00 0.00 H new ATOM 0 HA ILE A 57 108.529 103.996 -27.030 1.00 0.00 H new ATOM 0 HB ILE A 57 110.333 101.960 -28.404 1.00 0.00 H new ATOM 0 HG12 ILE A 57 107.715 102.587 -29.000 1.00 0.00 H new ATOM 0 HG13 ILE A 57 108.589 101.137 -29.451 1.00 0.00 H new ATOM 0 HG21 ILE A 57 109.665 100.401 -26.639 1.00 0.00 H new ATOM 0 HG22 ILE A 57 110.573 101.793 -26.002 1.00 0.00 H new ATOM 0 HG23 ILE A 57 108.806 101.718 -25.805 1.00 0.00 H new ATOM 0 HD11 ILE A 57 106.419 100.576 -28.452 1.00 0.00 H new ATOM 0 HD12 ILE A 57 107.745 99.981 -27.426 1.00 0.00 H new ATOM 0 HD13 ILE A 57 106.858 101.454 -26.967 1.00 0.00 H new ATOM 894 N LYS A 58 111.779 104.302 -27.506 1.00 0.00 N ATOM 895 CA LYS A 58 113.042 104.589 -26.842 1.00 0.00 C ATOM 896 C LYS A 58 113.112 106.039 -26.296 1.00 0.00 C ATOM 897 O LYS A 58 113.868 106.333 -25.378 1.00 0.00 O ATOM 898 CB LYS A 58 114.186 104.290 -27.817 1.00 0.00 C ATOM 899 CG LYS A 58 114.445 105.428 -28.800 1.00 0.00 C ATOM 900 CD LYS A 58 115.605 106.317 -28.352 1.00 0.00 C ATOM 901 CE LYS A 58 116.269 107.028 -29.531 1.00 0.00 C ATOM 902 NZ LYS A 58 117.351 107.911 -29.110 1.00 0.00 N ATOM 0 H LYS A 58 111.835 104.207 -28.520 1.00 0.00 H new ATOM 0 HA LYS A 58 113.132 103.947 -25.966 1.00 0.00 H new ATOM 0 HB2 LYS A 58 115.096 104.092 -27.251 1.00 0.00 H new ATOM 0 HB3 LYS A 58 113.953 103.382 -28.374 1.00 0.00 H new ATOM 0 HG2 LYS A 58 114.664 105.014 -29.784 1.00 0.00 H new ATOM 0 HG3 LYS A 58 113.543 106.032 -28.902 1.00 0.00 H new ATOM 0 HD2 LYS A 58 115.240 107.058 -27.640 1.00 0.00 H new ATOM 0 HD3 LYS A 58 116.346 105.711 -27.830 1.00 0.00 H new ATOM 0 HE2 LYS A 58 116.660 106.285 -30.226 1.00 0.00 H new ATOM 0 HE3 LYS A 58 115.520 107.607 -30.071 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 117.769 108.370 -29.944 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 116.976 108.637 -28.467 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 118.080 107.356 -28.618 1.00 0.00 H new ATOM 916 N LYS A 59 112.288 106.914 -26.911 1.00 0.00 N ATOM 917 CA LYS A 59 112.026 108.220 -26.337 1.00 0.00 C ATOM 918 C LYS A 59 111.096 108.112 -25.113 1.00 0.00 C ATOM 919 O LYS A 59 111.371 108.660 -24.052 1.00 0.00 O ATOM 920 CB LYS A 59 111.356 109.068 -27.417 1.00 0.00 C ATOM 921 CG LYS A 59 112.270 109.321 -28.615 1.00 0.00 C ATOM 922 CD LYS A 59 111.480 109.822 -29.823 1.00 0.00 C ATOM 923 CE LYS A 59 112.364 110.587 -30.810 1.00 0.00 C ATOM 924 NZ LYS A 59 113.568 109.845 -31.169 1.00 0.00 N ATOM 0 H LYS A 59 111.807 106.730 -27.791 1.00 0.00 H new ATOM 0 HA LYS A 59 112.960 108.671 -26.003 1.00 0.00 H new ATOM 0 HB2 LYS A 59 110.449 108.568 -27.756 1.00 0.00 H new ATOM 0 HB3 LYS A 59 111.052 110.023 -26.988 1.00 0.00 H new ATOM 0 HG2 LYS A 59 113.030 110.054 -28.346 1.00 0.00 H new ATOM 0 HG3 LYS A 59 112.793 108.401 -28.876 1.00 0.00 H new ATOM 0 HD2 LYS A 59 111.019 108.975 -30.331 1.00 0.00 H new ATOM 0 HD3 LYS A 59 110.671 110.469 -29.484 1.00 0.00 H new ATOM 0 HE2 LYS A 59 111.792 110.805 -31.712 1.00 0.00 H new ATOM 0 HE3 LYS A 59 112.647 111.545 -30.373 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 114.401 110.318 -30.765 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 113.504 108.877 -30.794 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 113.658 109.810 -32.204 1.00 0.00 H new ATOM 938 N GLY A 60 109.986 107.375 -25.327 1.00 0.00 N ATOM 939 CA GLY A 60 108.678 107.954 -25.147 1.00 0.00 C ATOM 940 C GLY A 60 108.427 108.960 -26.266 1.00 0.00 C ATOM 941 O GLY A 60 108.885 110.095 -26.229 1.00 0.00 O ATOM 0 H GLY A 60 109.988 106.398 -25.619 1.00 0.00 H new ATOM 0 HA2 GLY A 60 107.915 107.175 -25.162 1.00 0.00 H new ATOM 0 HA3 GLY A 60 108.613 108.445 -24.176 1.00 0.00 H new ATOM 945 N LEU A 61 107.671 108.454 -27.255 1.00 0.00 N ATOM 946 CA LEU A 61 106.278 108.170 -27.034 1.00 0.00 C ATOM 947 C LEU A 61 105.849 107.180 -28.114 1.00 0.00 C ATOM 948 O LEU A 61 105.511 107.535 -29.236 1.00 0.00 O ATOM 949 CB LEU A 61 105.523 109.483 -27.248 1.00 0.00 C ATOM 950 CG LEU A 61 105.943 110.278 -28.504 1.00 0.00 C ATOM 951 CD1 LEU A 61 104.824 111.202 -28.951 1.00 0.00 C ATOM 952 CD2 LEU A 61 107.217 111.090 -28.281 1.00 0.00 C ATOM 0 H LEU A 61 108.011 108.243 -28.193 1.00 0.00 H new ATOM 0 HA LEU A 61 106.086 107.766 -26.040 1.00 0.00 H new ATOM 0 HB2 LEU A 61 104.457 109.266 -27.313 1.00 0.00 H new ATOM 0 HB3 LEU A 61 105.666 110.115 -26.371 1.00 0.00 H new ATOM 0 HG LEU A 61 106.148 109.544 -29.284 1.00 0.00 H new ATOM 0 HD11 LEU A 61 105.139 111.753 -29.837 1.00 0.00 H new ATOM 0 HD12 LEU A 61 103.938 110.613 -29.187 1.00 0.00 H new ATOM 0 HD13 LEU A 61 104.591 111.904 -28.151 1.00 0.00 H new ATOM 0 HD21 LEU A 61 107.469 111.630 -29.194 1.00 0.00 H new ATOM 0 HD22 LEU A 61 107.058 111.801 -27.471 1.00 0.00 H new ATOM 0 HD23 LEU A 61 108.035 110.419 -28.019 1.00 0.00 H new ATOM 964 N VAL A 62 105.853 105.909 -27.699 1.00 0.00 N ATOM 965 CA VAL A 62 104.697 105.100 -27.423 1.00 0.00 C ATOM 966 C VAL A 62 105.067 104.130 -26.291 1.00 0.00 C ATOM 967 O VAL A 62 106.219 103.738 -26.147 1.00 0.00 O ATOM 968 CB VAL A 62 104.295 104.376 -28.705 1.00 0.00 C ATOM 969 CG1 VAL A 62 105.366 103.389 -29.155 1.00 0.00 C ATOM 970 CG2 VAL A 62 102.948 103.685 -28.549 1.00 0.00 C ATOM 0 H VAL A 62 106.724 105.402 -27.542 1.00 0.00 H new ATOM 0 HA VAL A 62 103.842 105.694 -27.100 1.00 0.00 H new ATOM 0 HB VAL A 62 104.198 105.131 -29.485 1.00 0.00 H new ATOM 0 HG11 VAL A 62 105.043 102.894 -30.071 1.00 0.00 H new ATOM 0 HG12 VAL A 62 106.298 103.923 -29.341 1.00 0.00 H new ATOM 0 HG13 VAL A 62 105.524 102.643 -28.376 1.00 0.00 H new ATOM 0 HG21 VAL A 62 102.689 103.178 -29.479 1.00 0.00 H new ATOM 0 HG22 VAL A 62 103.005 102.955 -27.742 1.00 0.00 H new ATOM 0 HG23 VAL A 62 102.184 104.426 -28.315 1.00 0.00 H new ATOM 980 N GLU A 63 104.042 103.762 -25.500 1.00 0.00 N ATOM 981 CA GLU A 63 104.238 102.695 -24.522 1.00 0.00 C ATOM 982 C GLU A 63 103.546 101.408 -25.001 1.00 0.00 C ATOM 983 O GLU A 63 102.344 101.362 -25.230 1.00 0.00 O ATOM 984 CB GLU A 63 103.681 103.107 -23.160 1.00 0.00 C ATOM 985 CG GLU A 63 104.740 103.793 -22.298 1.00 0.00 C ATOM 986 CD GLU A 63 104.074 104.525 -21.131 1.00 0.00 C ATOM 987 OE1 GLU A 63 103.172 103.954 -20.520 1.00 0.00 O ATOM 988 OE2 GLU A 63 104.464 105.657 -20.848 1.00 0.00 O ATOM 0 H GLU A 63 103.109 104.173 -25.520 1.00 0.00 H new ATOM 0 HA GLU A 63 105.308 102.511 -24.421 1.00 0.00 H new ATOM 0 HB2 GLU A 63 102.836 103.780 -23.302 1.00 0.00 H new ATOM 0 HB3 GLU A 63 103.304 102.226 -22.640 1.00 0.00 H new ATOM 0 HG2 GLU A 63 105.446 103.054 -21.919 1.00 0.00 H new ATOM 0 HG3 GLU A 63 105.311 104.498 -22.902 1.00 0.00 H new ATOM 995 N LYS A 64 104.382 100.365 -25.119 1.00 0.00 N ATOM 996 CA LYS A 64 103.868 99.086 -25.550 1.00 0.00 C ATOM 997 C LYS A 64 103.224 98.362 -24.364 1.00 0.00 C ATOM 998 O LYS A 64 103.880 97.975 -23.405 1.00 0.00 O ATOM 999 CB LYS A 64 105.014 98.269 -26.133 1.00 0.00 C ATOM 1000 CG LYS A 64 104.584 96.842 -26.454 1.00 0.00 C ATOM 1001 CD LYS A 64 105.056 95.846 -25.395 1.00 0.00 C ATOM 1002 CE LYS A 64 105.275 94.451 -25.981 1.00 0.00 C ATOM 1003 NZ LYS A 64 105.082 93.397 -24.993 1.00 0.00 N ATOM 0 H LYS A 64 105.383 100.392 -24.926 1.00 0.00 H new ATOM 0 HA LYS A 64 103.105 99.223 -26.316 1.00 0.00 H new ATOM 0 HB2 LYS A 64 105.380 98.751 -27.039 1.00 0.00 H new ATOM 0 HB3 LYS A 64 105.843 98.249 -25.426 1.00 0.00 H new ATOM 0 HG2 LYS A 64 103.498 96.800 -26.531 1.00 0.00 H new ATOM 0 HG3 LYS A 64 104.984 96.553 -27.426 1.00 0.00 H new ATOM 0 HD2 LYS A 64 105.985 96.203 -24.950 1.00 0.00 H new ATOM 0 HD3 LYS A 64 104.319 95.792 -24.594 1.00 0.00 H new ATOM 0 HE2 LYS A 64 104.587 94.297 -26.812 1.00 0.00 H new ATOM 0 HE3 LYS A 64 106.285 94.385 -26.387 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 105.903 92.759 -25.001 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 104.982 93.821 -24.049 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 104.223 92.858 -25.224 1.00 0.00 H new ATOM 1017 N SER A 65 101.893 98.213 -24.509 1.00 0.00 N ATOM 1018 CA SER A 65 101.102 97.576 -23.464 1.00 0.00 C ATOM 1019 C SER A 65 100.564 96.244 -23.992 1.00 0.00 C ATOM 1020 O SER A 65 99.646 96.210 -24.802 1.00 0.00 O ATOM 1021 CB SER A 65 99.896 98.477 -23.147 1.00 0.00 C ATOM 1022 OG SER A 65 98.982 97.984 -22.173 1.00 0.00 O ATOM 0 H SER A 65 101.362 98.521 -25.324 1.00 0.00 H new ATOM 0 HA SER A 65 101.716 97.418 -22.577 1.00 0.00 H new ATOM 0 HB2 SER A 65 100.270 99.443 -22.808 1.00 0.00 H new ATOM 0 HB3 SER A 65 99.348 98.654 -24.072 1.00 0.00 H new ATOM 0 HG SER A 65 98.147 97.720 -22.612 1.00 0.00 H new ATOM 1028 N GLY A 66 101.172 95.156 -23.480 1.00 0.00 N ATOM 1029 CA GLY A 66 101.725 94.172 -24.397 1.00 0.00 C ATOM 1030 C GLY A 66 100.808 92.952 -24.500 1.00 0.00 C ATOM 1031 O GLY A 66 100.954 91.971 -23.782 1.00 0.00 O ATOM 0 H GLY A 66 101.284 94.952 -22.487 1.00 0.00 H new ATOM 0 HA2 GLY A 66 101.855 94.619 -25.382 1.00 0.00 H new ATOM 0 HA3 GLY A 66 102.712 93.863 -24.054 1.00 0.00 H new ATOM 1035 N ASP A 67 99.859 93.087 -25.443 1.00 0.00 N ATOM 1036 CA ASP A 67 100.221 93.006 -26.849 1.00 0.00 C ATOM 1037 C ASP A 67 99.270 93.869 -27.687 1.00 0.00 C ATOM 1038 O ASP A 67 98.544 93.380 -28.544 1.00 0.00 O ATOM 1039 CB ASP A 67 100.157 91.551 -27.315 1.00 0.00 C ATOM 1040 CG ASP A 67 101.226 90.728 -26.593 1.00 0.00 C ATOM 1041 OD1 ASP A 67 102.408 91.035 -26.749 1.00 0.00 O ATOM 1042 OD2 ASP A 67 100.865 89.791 -25.883 1.00 0.00 O ATOM 0 H ASP A 67 98.869 93.247 -25.256 1.00 0.00 H new ATOM 0 HA ASP A 67 101.238 93.378 -26.978 1.00 0.00 H new ATOM 0 HB2 ASP A 67 99.169 91.138 -27.113 1.00 0.00 H new ATOM 0 HB3 ASP A 67 100.310 91.498 -28.393 1.00 0.00 H new ATOM 1047 N GLY A 68 99.316 95.179 -27.373 1.00 0.00 N ATOM 1048 CA GLY A 68 99.391 96.189 -28.407 1.00 0.00 C ATOM 1049 C GLY A 68 100.146 97.415 -27.893 1.00 0.00 C ATOM 1050 O GLY A 68 100.527 97.504 -26.733 1.00 0.00 O ATOM 0 H GLY A 68 99.302 95.543 -26.420 1.00 0.00 H new ATOM 0 HA2 GLY A 68 99.894 95.784 -29.285 1.00 0.00 H new ATOM 0 HA3 GLY A 68 98.387 96.476 -28.719 1.00 0.00 H new ATOM 1054 N LEU A 69 100.330 98.353 -28.842 1.00 0.00 N ATOM 1055 CA LEU A 69 101.097 99.551 -28.553 1.00 0.00 C ATOM 1056 C LEU A 69 100.110 100.682 -28.262 1.00 0.00 C ATOM 1057 O LEU A 69 99.069 100.788 -28.898 1.00 0.00 O ATOM 1058 CB LEU A 69 101.996 99.874 -29.755 1.00 0.00 C ATOM 1059 CG LEU A 69 102.873 98.688 -30.186 1.00 0.00 C ATOM 1060 CD1 LEU A 69 104.128 99.182 -30.894 1.00 0.00 C ATOM 1061 CD2 LEU A 69 103.266 97.761 -29.034 1.00 0.00 C ATOM 0 H LEU A 69 99.962 98.296 -29.791 1.00 0.00 H new ATOM 0 HA LEU A 69 101.742 99.414 -27.685 1.00 0.00 H new ATOM 0 HB2 LEU A 69 101.373 100.182 -30.595 1.00 0.00 H new ATOM 0 HB3 LEU A 69 102.636 100.720 -29.506 1.00 0.00 H new ATOM 0 HG LEU A 69 102.260 98.099 -30.869 1.00 0.00 H new ATOM 0 HD11 LEU A 69 104.737 98.329 -31.192 1.00 0.00 H new ATOM 0 HD12 LEU A 69 103.846 99.753 -31.778 1.00 0.00 H new ATOM 0 HD13 LEU A 69 104.700 99.818 -30.219 1.00 0.00 H new ATOM 0 HD21 LEU A 69 103.884 96.948 -29.416 1.00 0.00 H new ATOM 0 HD22 LEU A 69 103.827 98.325 -28.289 1.00 0.00 H new ATOM 0 HD23 LEU A 69 102.367 97.349 -28.576 1.00 0.00 H new ATOM 1073 N ILE A 70 100.477 101.506 -27.259 1.00 0.00 N ATOM 1074 CA ILE A 70 99.614 102.644 -26.986 1.00 0.00 C ATOM 1075 C ILE A 70 100.412 103.768 -26.336 1.00 0.00 C ATOM 1076 O ILE A 70 101.368 103.545 -25.606 1.00 0.00 O ATOM 1077 CB ILE A 70 98.499 102.243 -26.030 1.00 0.00 C ATOM 1078 CG1 ILE A 70 99.043 101.650 -24.735 1.00 0.00 C ATOM 1079 CG2 ILE A 70 97.551 101.249 -26.680 1.00 0.00 C ATOM 1080 CD1 ILE A 70 98.008 101.767 -23.617 1.00 0.00 C ATOM 0 H ILE A 70 101.304 101.409 -26.670 1.00 0.00 H new ATOM 0 HA ILE A 70 99.193 102.981 -27.933 1.00 0.00 H new ATOM 0 HB ILE A 70 97.954 103.156 -25.789 1.00 0.00 H new ATOM 0 HG12 ILE A 70 99.304 100.603 -24.889 1.00 0.00 H new ATOM 0 HG13 ILE A 70 99.958 102.168 -24.447 1.00 0.00 H new ATOM 0 HG21 ILE A 70 96.765 100.981 -25.974 1.00 0.00 H new ATOM 0 HG22 ILE A 70 97.104 101.699 -27.567 1.00 0.00 H new ATOM 0 HG23 ILE A 70 98.103 100.354 -26.966 1.00 0.00 H new ATOM 0 HD11 ILE A 70 98.413 101.339 -22.700 1.00 0.00 H new ATOM 0 HD12 ILE A 70 97.768 102.817 -23.452 1.00 0.00 H new ATOM 0 HD13 ILE A 70 97.104 101.228 -23.900 1.00 0.00 H new ATOM 1092 N ILE A 71 99.949 104.992 -26.627 1.00 0.00 N ATOM 1093 CA ILE A 71 100.891 106.095 -26.609 1.00 0.00 C ATOM 1094 C ILE A 71 100.874 106.787 -25.247 1.00 0.00 C ATOM 1095 O ILE A 71 99.871 106.807 -24.544 1.00 0.00 O ATOM 1096 CB ILE A 71 100.539 107.083 -27.710 1.00 0.00 C ATOM 1097 CG1 ILE A 71 99.109 107.604 -27.520 1.00 0.00 C ATOM 1098 CG2 ILE A 71 100.777 106.435 -29.076 1.00 0.00 C ATOM 1099 CD1 ILE A 71 98.695 108.674 -28.530 1.00 0.00 C ATOM 0 H ILE A 71 98.985 105.226 -26.863 1.00 0.00 H new ATOM 0 HA ILE A 71 101.896 105.710 -26.784 1.00 0.00 H new ATOM 0 HB ILE A 71 101.189 107.957 -27.657 1.00 0.00 H new ATOM 0 HG12 ILE A 71 98.416 106.766 -27.591 1.00 0.00 H new ATOM 0 HG13 ILE A 71 99.013 108.013 -26.514 1.00 0.00 H new ATOM 0 HG21 ILE A 71 100.524 107.144 -29.864 1.00 0.00 H new ATOM 0 HG22 ILE A 71 101.825 106.151 -29.166 1.00 0.00 H new ATOM 0 HG23 ILE A 71 100.151 105.548 -29.172 1.00 0.00 H new ATOM 0 HD11 ILE A 71 97.671 108.989 -28.327 1.00 0.00 H new ATOM 0 HD12 ILE A 71 99.362 109.532 -28.446 1.00 0.00 H new ATOM 0 HD13 ILE A 71 98.756 108.265 -29.539 1.00 0.00 H new ATOM 1111 N THR A 72 102.054 107.353 -24.927 1.00 0.00 N ATOM 1112 CA THR A 72 102.185 108.030 -23.652 1.00 0.00 C ATOM 1113 C THR A 72 101.580 109.433 -23.775 1.00 0.00 C ATOM 1114 O THR A 72 101.347 109.942 -24.865 1.00 0.00 O ATOM 1115 CB THR A 72 103.656 108.083 -23.200 1.00 0.00 C ATOM 1116 OG1 THR A 72 104.279 109.238 -23.764 1.00 0.00 O ATOM 1117 CG2 THR A 72 104.400 106.755 -23.484 1.00 0.00 C ATOM 0 H THR A 72 102.888 107.350 -25.514 1.00 0.00 H new ATOM 0 HA THR A 72 101.644 107.475 -22.886 1.00 0.00 H new ATOM 0 HB THR A 72 103.704 108.187 -22.116 1.00 0.00 H new ATOM 0 HG1 THR A 72 105.215 109.277 -23.478 1.00 0.00 H new ATOM 0 HG21 THR A 72 105.434 106.838 -23.149 1.00 0.00 H new ATOM 0 HG22 THR A 72 103.910 105.942 -22.949 1.00 0.00 H new ATOM 0 HG23 THR A 72 104.381 106.549 -24.554 1.00 0.00 H new ATOM 1125 N GLY A 73 101.346 110.023 -22.589 1.00 0.00 N ATOM 1126 CA GLY A 73 100.715 111.337 -22.589 1.00 0.00 C ATOM 1127 C GLY A 73 101.433 112.375 -23.483 1.00 0.00 C ATOM 1128 O GLY A 73 100.813 113.318 -23.960 1.00 0.00 O ATOM 0 H GLY A 73 101.571 109.633 -21.674 1.00 0.00 H new ATOM 0 HA2 GLY A 73 99.683 111.234 -22.925 1.00 0.00 H new ATOM 0 HA3 GLY A 73 100.681 111.713 -21.567 1.00 0.00 H new ATOM 1132 N GLU A 74 102.753 112.163 -23.692 1.00 0.00 N ATOM 1133 CA GLU A 74 103.462 113.060 -24.596 1.00 0.00 C ATOM 1134 C GLU A 74 102.810 113.076 -25.989 1.00 0.00 C ATOM 1135 O GLU A 74 102.493 114.131 -26.525 1.00 0.00 O ATOM 1136 CB GLU A 74 104.926 112.635 -24.749 1.00 0.00 C ATOM 1137 CG GLU A 74 105.831 112.865 -23.528 1.00 0.00 C ATOM 1138 CD GLU A 74 105.077 113.208 -22.236 1.00 0.00 C ATOM 1139 OE1 GLU A 74 104.730 114.373 -22.049 1.00 0.00 O ATOM 1140 OE2 GLU A 74 104.845 112.304 -21.434 1.00 0.00 O ATOM 0 H GLU A 74 103.311 111.421 -23.269 1.00 0.00 H new ATOM 0 HA GLU A 74 103.411 114.058 -24.160 1.00 0.00 H new ATOM 0 HB2 GLU A 74 104.950 111.574 -24.998 1.00 0.00 H new ATOM 0 HB3 GLU A 74 105.352 113.172 -25.597 1.00 0.00 H new ATOM 0 HG2 GLU A 74 106.428 111.969 -23.359 1.00 0.00 H new ATOM 0 HG3 GLU A 74 106.527 113.673 -23.754 1.00 0.00 H new ATOM 1147 N ALA A 75 102.605 111.853 -26.524 1.00 0.00 N ATOM 1148 CA ALA A 75 101.920 111.749 -27.806 1.00 0.00 C ATOM 1149 C ALA A 75 100.532 112.402 -27.751 1.00 0.00 C ATOM 1150 O ALA A 75 100.179 113.200 -28.605 1.00 0.00 O ATOM 1151 CB ALA A 75 101.753 110.273 -28.183 1.00 0.00 C ATOM 0 H ALA A 75 102.893 110.969 -26.103 1.00 0.00 H new ATOM 0 HA ALA A 75 102.524 112.268 -28.551 1.00 0.00 H new ATOM 0 HB1 ALA A 75 101.240 110.198 -29.142 1.00 0.00 H new ATOM 0 HB2 ALA A 75 102.734 109.803 -28.258 1.00 0.00 H new ATOM 0 HB3 ALA A 75 101.166 109.766 -27.417 1.00 0.00 H new ATOM 1157 N GLN A 76 99.784 112.048 -26.690 1.00 0.00 N ATOM 1158 CA GLN A 76 98.397 112.487 -26.629 1.00 0.00 C ATOM 1159 C GLN A 76 98.243 114.022 -26.780 1.00 0.00 C ATOM 1160 O GLN A 76 97.285 114.498 -27.378 1.00 0.00 O ATOM 1161 CB GLN A 76 97.816 112.024 -25.293 1.00 0.00 C ATOM 1162 CG GLN A 76 97.313 110.582 -25.360 1.00 0.00 C ATOM 1163 CD GLN A 76 96.431 110.282 -24.146 1.00 0.00 C ATOM 1164 OE1 GLN A 76 96.751 109.455 -23.301 1.00 0.00 O ATOM 1165 NE2 GLN A 76 95.302 111.014 -24.124 1.00 0.00 N ATOM 0 H GLN A 76 100.105 111.485 -25.902 1.00 0.00 H new ATOM 0 HA GLN A 76 97.857 112.047 -27.467 1.00 0.00 H new ATOM 0 HB2 GLN A 76 98.577 112.107 -24.517 1.00 0.00 H new ATOM 0 HB3 GLN A 76 96.996 112.682 -25.006 1.00 0.00 H new ATOM 0 HG2 GLN A 76 96.747 110.427 -26.279 1.00 0.00 H new ATOM 0 HG3 GLN A 76 98.158 109.894 -25.386 1.00 0.00 H new ATOM 0 HE21 GLN A 76 95.113 111.683 -24.871 1.00 0.00 H new ATOM 0 HE22 GLN A 76 94.635 110.900 -23.361 1.00 0.00 H new ATOM 1174 N ASP A 77 99.220 114.761 -26.217 1.00 0.00 N ATOM 1175 CA ASP A 77 99.239 116.198 -26.430 1.00 0.00 C ATOM 1176 C ASP A 77 99.534 116.549 -27.901 1.00 0.00 C ATOM 1177 O ASP A 77 98.884 117.401 -28.494 1.00 0.00 O ATOM 1178 CB ASP A 77 100.303 116.824 -25.530 1.00 0.00 C ATOM 1179 CG ASP A 77 99.977 118.298 -25.280 1.00 0.00 C ATOM 1180 OD1 ASP A 77 98.815 118.606 -25.018 1.00 0.00 O ATOM 1181 OD2 ASP A 77 100.888 119.121 -25.350 1.00 0.00 O ATOM 0 H ASP A 77 99.973 114.393 -25.636 1.00 0.00 H new ATOM 0 HA ASP A 77 98.254 116.594 -26.183 1.00 0.00 H new ATOM 0 HB2 ASP A 77 100.350 116.288 -24.582 1.00 0.00 H new ATOM 0 HB3 ASP A 77 101.284 116.734 -25.996 1.00 0.00 H new ATOM 1186 N ILE A 78 100.548 115.844 -28.448 1.00 0.00 N ATOM 1187 CA ILE A 78 100.982 116.147 -29.798 1.00 0.00 C ATOM 1188 C ILE A 78 99.859 115.886 -30.821 1.00 0.00 C ATOM 1189 O ILE A 78 99.596 116.705 -31.692 1.00 0.00 O ATOM 1190 CB ILE A 78 102.199 115.261 -30.103 1.00 0.00 C ATOM 1191 CG1 ILE A 78 103.415 115.590 -29.227 1.00 0.00 C ATOM 1192 CG2 ILE A 78 102.582 115.281 -31.588 1.00 0.00 C ATOM 1193 CD1 ILE A 78 103.429 117.015 -28.664 1.00 0.00 C ATOM 0 H ILE A 78 101.055 115.091 -27.983 1.00 0.00 H new ATOM 0 HA ILE A 78 101.242 117.203 -29.874 1.00 0.00 H new ATOM 0 HB ILE A 78 101.884 114.248 -29.853 1.00 0.00 H new ATOM 0 HG12 ILE A 78 103.449 114.885 -28.396 1.00 0.00 H new ATOM 0 HG13 ILE A 78 104.321 115.436 -29.813 1.00 0.00 H new ATOM 0 HG21 ILE A 78 103.448 114.639 -31.749 1.00 0.00 H new ATOM 0 HG22 ILE A 78 101.745 114.918 -32.185 1.00 0.00 H new ATOM 0 HG23 ILE A 78 102.826 116.300 -31.887 1.00 0.00 H new ATOM 0 HD11 ILE A 78 104.324 117.158 -28.058 1.00 0.00 H new ATOM 0 HD12 ILE A 78 103.429 117.731 -29.486 1.00 0.00 H new ATOM 0 HD13 ILE A 78 102.544 117.171 -28.047 1.00 0.00 H new ATOM 1205 N ILE A 79 99.233 114.704 -30.674 1.00 0.00 N ATOM 1206 CA ILE A 79 98.213 114.300 -31.621 1.00 0.00 C ATOM 1207 C ILE A 79 97.004 115.246 -31.602 1.00 0.00 C ATOM 1208 O ILE A 79 96.504 115.655 -32.642 1.00 0.00 O ATOM 1209 CB ILE A 79 97.717 112.902 -31.253 1.00 0.00 C ATOM 1210 CG1 ILE A 79 98.839 111.878 -31.054 1.00 0.00 C ATOM 1211 CG2 ILE A 79 96.693 112.412 -32.272 1.00 0.00 C ATOM 1212 CD1 ILE A 79 100.078 112.146 -31.906 1.00 0.00 C ATOM 0 H ILE A 79 99.418 114.037 -29.925 1.00 0.00 H new ATOM 0 HA ILE A 79 98.660 114.322 -32.615 1.00 0.00 H new ATOM 0 HB ILE A 79 97.235 112.996 -30.280 1.00 0.00 H new ATOM 0 HG12 ILE A 79 99.128 111.869 -30.003 1.00 0.00 H new ATOM 0 HG13 ILE A 79 98.457 110.884 -31.288 1.00 0.00 H new ATOM 0 HG21 ILE A 79 96.351 111.415 -31.994 1.00 0.00 H new ATOM 0 HG22 ILE A 79 95.844 113.095 -32.291 1.00 0.00 H new ATOM 0 HG23 ILE A 79 97.152 112.376 -33.260 1.00 0.00 H new ATOM 0 HD11 ILE A 79 100.827 111.379 -31.710 1.00 0.00 H new ATOM 0 HD12 ILE A 79 99.805 112.125 -32.961 1.00 0.00 H new ATOM 0 HD13 ILE A 79 100.487 113.125 -31.656 1.00 0.00 H new ATOM 1224 N SER A 80 96.555 115.561 -30.371 1.00 0.00 N ATOM 1225 CA SER A 80 95.398 116.438 -30.267 1.00 0.00 C ATOM 1226 C SER A 80 95.646 117.800 -30.942 1.00 0.00 C ATOM 1227 O SER A 80 94.825 118.289 -31.709 1.00 0.00 O ATOM 1228 CB SER A 80 95.087 116.654 -28.780 1.00 0.00 C ATOM 1229 OG SER A 80 95.091 115.481 -27.975 1.00 0.00 O ATOM 0 H SER A 80 96.955 115.239 -29.490 1.00 0.00 H new ATOM 0 HA SER A 80 94.559 115.967 -30.779 1.00 0.00 H new ATOM 0 HB2 SER A 80 95.816 117.355 -28.373 1.00 0.00 H new ATOM 0 HB3 SER A 80 94.109 117.127 -28.697 1.00 0.00 H new ATOM 0 HG SER A 80 95.928 115.436 -27.467 1.00 0.00 H new ATOM 1235 N ASN A 81 96.820 118.372 -30.621 1.00 0.00 N ATOM 1236 CA ASN A 81 97.131 119.661 -31.221 1.00 0.00 C ATOM 1237 C ASN A 81 97.367 119.536 -32.739 1.00 0.00 C ATOM 1238 O ASN A 81 96.868 120.330 -33.528 1.00 0.00 O ATOM 1239 CB ASN A 81 98.369 120.267 -30.552 1.00 0.00 C ATOM 1240 CG ASN A 81 98.210 121.787 -30.463 1.00 0.00 C ATOM 1241 OD1 ASN A 81 97.108 122.319 -30.407 1.00 0.00 O ATOM 1242 ND2 ASN A 81 99.383 122.445 -30.453 1.00 0.00 N ATOM 0 H ASN A 81 97.522 117.986 -29.990 1.00 0.00 H new ATOM 0 HA ASN A 81 96.274 120.316 -31.065 1.00 0.00 H new ATOM 0 HB2 ASN A 81 98.500 119.846 -29.555 1.00 0.00 H new ATOM 0 HB3 ASN A 81 99.263 120.017 -31.123 1.00 0.00 H new ATOM 0 HD21 ASN A 81 99.396 123.463 -30.395 1.00 0.00 H new ATOM 0 HD22 ASN A 81 100.259 121.926 -30.503 1.00 0.00 H new ATOM 1249 N ALA A 82 98.153 118.502 -33.098 1.00 0.00 N ATOM 1250 CA ALA A 82 98.571 118.390 -34.483 1.00 0.00 C ATOM 1251 C ALA A 82 97.384 118.114 -35.416 1.00 0.00 C ATOM 1252 O ALA A 82 97.234 118.746 -36.453 1.00 0.00 O ATOM 1253 CB ALA A 82 99.579 117.260 -34.629 1.00 0.00 C ATOM 0 H ALA A 82 98.491 117.771 -32.472 1.00 0.00 H new ATOM 0 HA ALA A 82 99.020 119.342 -34.765 1.00 0.00 H new ATOM 0 HB1 ALA A 82 99.889 117.181 -35.671 1.00 0.00 H new ATOM 0 HB2 ALA A 82 100.449 117.466 -34.006 1.00 0.00 H new ATOM 0 HB3 ALA A 82 99.122 116.322 -34.314 1.00 0.00 H new