USER MOD reduce.3.24.130724 H: found=0, std=0, add=596, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 598 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 54 TYR OH : rot 180:sc= 0.169 USER MOD Set 1.2: A 76 LYS NZ :NH3+ 144:sc= 0.166 (180deg=0) USER MOD Set 2.1: A 53 GLN : amide:sc= 0.586 K(o=1.1,f=-2.3) USER MOD Set 2.2: A 72 ASN : amide:sc= 0.52 K(o=1.1,f=-2.3!) USER MOD Set 3.1: A 27 THR OG1 : rot 126:sc= 0.303 USER MOD Set 3.2: A 29 THR OG1 : rot 180:sc= 0.095 USER MOD Set 4.1: A 6 ASN : amide:sc= -0.231 K(o=-0.23,f=-2.2!) USER MOD Set 4.2: A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 ASN : amide:sc= 0 X(o=0,f=-0.094) USER MOD Single : A 5 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0534) USER MOD Single : A 8 TYR OH : rot 180:sc= -1.31 USER MOD Single : A 13 MET CE :methyl 159:sc= 0 (180deg=-0.579) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 ASN : amide:sc= 1.03 K(o=1,f=-0.078) USER MOD Single : A 18 GLN : amide:sc= 0 K(o=0,f=-0.85) USER MOD Single : A 19 CYS SG : rot 66:sc= 0.623 USER MOD Single : A 20 THR OG1 : rot 29:sc= -1.06 USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 28 TYR OH : rot 78:sc= 1.37 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 CYS SG : rot 56:sc= 0.104 USER MOD Single : A 33 ASN : amide:sc= 0 X(o=0,f=0.065) USER MOD Single : A 35 SER OG : rot -32:sc= 0.314 USER MOD Single : A 36 LYS NZ :NH3+ 158:sc= -0.0428 (180deg=-0.348) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 39 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 40 SER OG : rot 180:sc= 0.0156 USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 SER OG : rot 23:sc= 0.403 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.000502) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 THR OG1 : rot 170:sc= -1.5! USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot 107:sc= 0.585 USER MOD ----------------------------------------------------------------- ATOM 46 N ASN A 4 22.465 25.155 29.320 1.00 0.00 N ATOM 47 CA ASN A 4 22.139 23.934 30.044 1.00 0.00 C ATOM 48 C ASN A 4 23.397 23.363 30.687 1.00 0.00 C ATOM 49 O ASN A 4 24.474 23.951 30.592 1.00 0.00 O ATOM 50 CB ASN A 4 21.610 22.868 29.082 1.00 0.00 C ATOM 51 CG ASN A 4 20.217 23.181 28.572 1.00 0.00 C ATOM 52 OD1 ASN A 4 19.308 23.472 29.350 1.00 0.00 O ATOM 53 ND2 ASN A 4 20.039 23.111 27.258 1.00 0.00 N ATOM 0 HA ASN A 4 21.389 24.182 30.795 1.00 0.00 H new ATOM 0 HB2 ASN A 4 22.291 22.778 28.236 1.00 0.00 H new ATOM 0 HB3 ASN A 4 21.599 21.902 29.587 1.00 0.00 H new ATOM 0 HD21 ASN A 4 19.121 23.302 26.857 1.00 0.00 H new ATOM 0 HD22 ASN A 4 20.820 22.866 26.650 1.00 0.00 H new ATOM 60 N LYS A 5 23.254 22.216 31.340 1.00 0.00 N ATOM 61 CA LYS A 5 24.381 21.566 31.996 1.00 0.00 C ATOM 62 C LYS A 5 25.212 20.849 30.941 1.00 0.00 C ATOM 63 O LYS A 5 26.162 20.130 31.247 1.00 0.00 O ATOM 64 CB LYS A 5 23.876 20.582 33.051 1.00 0.00 C ATOM 65 CG LYS A 5 23.408 21.243 34.339 1.00 0.00 C ATOM 66 CD LYS A 5 23.001 20.210 35.378 1.00 0.00 C ATOM 67 CE LYS A 5 22.791 20.844 36.743 1.00 0.00 C ATOM 68 NZ LYS A 5 21.776 21.933 36.710 1.00 0.00 N1+ ATOM 0 H LYS A 5 22.369 21.717 31.429 1.00 0.00 H new ATOM 0 HA LYS A 5 25.001 22.308 32.499 1.00 0.00 H new ATOM 0 HB2 LYS A 5 23.052 20.005 32.630 1.00 0.00 H new ATOM 0 HB3 LYS A 5 24.673 19.876 33.286 1.00 0.00 H new ATOM 0 HG2 LYS A 5 24.206 21.869 34.739 1.00 0.00 H new ATOM 0 HG3 LYS A 5 22.564 21.900 34.127 1.00 0.00 H new ATOM 0 HD2 LYS A 5 22.083 19.716 35.060 1.00 0.00 H new ATOM 0 HD3 LYS A 5 23.770 19.440 35.448 1.00 0.00 H new ATOM 0 HE2 LYS A 5 22.476 20.078 37.452 1.00 0.00 H new ATOM 0 HE3 LYS A 5 23.738 21.244 37.105 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 21.542 22.219 37.682 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 22.159 22.749 36.191 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 20.917 21.592 36.234 1.00 0.00 H new ATOM 82 N ASN A 6 24.822 21.070 29.691 1.00 0.00 N ATOM 83 CA ASN A 6 25.485 20.447 28.543 1.00 0.00 C ATOM 84 C ASN A 6 26.412 21.449 27.826 1.00 0.00 C ATOM 85 O ASN A 6 27.626 21.271 27.851 1.00 0.00 O ATOM 86 CB ASN A 6 24.455 19.744 27.633 1.00 0.00 C ATOM 87 CG ASN A 6 25.056 18.547 26.900 1.00 0.00 C ATOM 88 OD1 ASN A 6 26.156 18.097 27.191 1.00 0.00 O ATOM 89 ND2 ASN A 6 24.345 17.983 25.954 1.00 0.00 N ATOM 0 H ASN A 6 24.044 21.681 29.442 1.00 0.00 H new ATOM 0 HA ASN A 6 26.148 19.654 28.889 1.00 0.00 H new ATOM 0 HB2 ASN A 6 23.608 19.412 28.234 1.00 0.00 H new ATOM 0 HB3 ASN A 6 24.069 20.458 26.905 1.00 0.00 H new ATOM 0 HD21 ASN A 6 24.709 17.168 25.460 1.00 0.00 H new ATOM 0 HD22 ASN A 6 23.428 18.359 25.712 1.00 0.00 H new ATOM 96 N GLU A 7 25.874 22.549 27.284 1.00 0.00 N ATOM 97 CA GLU A 7 26.679 23.640 26.701 1.00 0.00 C ATOM 98 C GLU A 7 27.285 24.563 27.770 1.00 0.00 C ATOM 99 O GLU A 7 28.503 24.697 27.868 1.00 0.00 O ATOM 100 CB GLU A 7 25.839 24.479 25.718 1.00 0.00 C ATOM 101 CG GLU A 7 25.565 23.749 24.396 1.00 0.00 C ATOM 102 CD GLU A 7 24.662 24.557 23.451 1.00 0.00 C ATOM 103 OE1 GLU A 7 23.932 23.948 22.633 1.00 0.00 O ATOM 104 OE2 GLU A 7 24.690 25.810 23.453 1.00 0.00 O ATOM 0 H GLU A 7 24.868 22.712 27.235 1.00 0.00 H new ATOM 0 HA GLU A 7 27.500 23.162 26.167 1.00 0.00 H new ATOM 0 HB2 GLU A 7 24.890 24.739 26.188 1.00 0.00 H new ATOM 0 HB3 GLU A 7 26.358 25.415 25.510 1.00 0.00 H new ATOM 0 HG2 GLU A 7 26.512 23.540 23.898 1.00 0.00 H new ATOM 0 HG3 GLU A 7 25.097 22.788 24.606 1.00 0.00 H new ATOM 111 N TYR A 8 26.445 25.192 28.602 1.00 0.00 N ATOM 112 CA TYR A 8 26.838 26.221 29.576 1.00 0.00 C ATOM 113 C TYR A 8 27.860 25.722 30.596 1.00 0.00 C ATOM 114 O TYR A 8 28.715 26.493 31.022 1.00 0.00 O ATOM 115 CB TYR A 8 25.566 26.732 30.253 1.00 0.00 C ATOM 116 CG TYR A 8 25.632 28.097 30.910 1.00 0.00 C ATOM 117 CD1 TYR A 8 26.070 29.182 30.163 1.00 0.00 C ATOM 118 CD2 TYR A 8 25.216 28.280 32.227 1.00 0.00 C ATOM 119 CE1 TYR A 8 26.095 30.452 30.715 1.00 0.00 C ATOM 120 CE2 TYR A 8 25.246 29.560 32.787 1.00 0.00 C ATOM 121 CZ TYR A 8 25.682 30.644 32.024 1.00 0.00 C ATOM 122 OH TYR A 8 25.712 31.938 32.531 1.00 0.00 O ATOM 0 H TYR A 8 25.444 24.994 28.617 1.00 0.00 H new ATOM 0 HA TYR A 8 27.342 27.032 29.051 1.00 0.00 H new ATOM 0 HB2 TYR A 8 24.772 26.754 29.507 1.00 0.00 H new ATOM 0 HB3 TYR A 8 25.271 26.006 31.011 1.00 0.00 H new ATOM 0 HD1 TYR A 8 26.394 29.035 29.143 1.00 0.00 H new ATOM 0 HD2 TYR A 8 24.873 27.439 32.811 1.00 0.00 H new ATOM 0 HE1 TYR A 8 26.436 31.291 30.127 1.00 0.00 H new ATOM 0 HE2 TYR A 8 24.932 29.710 33.809 1.00 0.00 H new ATOM 0 HH TYR A 8 25.396 31.933 33.459 1.00 0.00 H new ATOM 132 N LYS A 9 27.863 24.409 30.868 1.00 0.00 N ATOM 133 CA LYS A 9 28.903 23.672 31.604 1.00 0.00 C ATOM 134 C LYS A 9 30.329 24.107 31.233 1.00 0.00 C ATOM 135 O LYS A 9 31.167 24.237 32.116 1.00 0.00 O ATOM 136 CB LYS A 9 28.674 22.176 31.339 1.00 0.00 C ATOM 137 CG LYS A 9 29.863 21.236 31.604 1.00 0.00 C ATOM 138 CD LYS A 9 29.497 19.755 31.398 1.00 0.00 C ATOM 139 CE LYS A 9 29.056 19.443 29.956 1.00 0.00 C ATOM 140 NZ LYS A 9 28.608 18.039 29.797 1.00 0.00 N1+ ATOM 0 H LYS A 9 27.102 23.801 30.566 1.00 0.00 H new ATOM 0 HA LYS A 9 28.819 23.893 32.668 1.00 0.00 H new ATOM 0 HB2 LYS A 9 27.836 21.846 31.954 1.00 0.00 H new ATOM 0 HB3 LYS A 9 28.372 22.057 30.298 1.00 0.00 H new ATOM 0 HG2 LYS A 9 30.686 21.500 30.940 1.00 0.00 H new ATOM 0 HG3 LYS A 9 30.217 21.381 32.624 1.00 0.00 H new ATOM 0 HD2 LYS A 9 30.356 19.135 31.652 1.00 0.00 H new ATOM 0 HD3 LYS A 9 28.695 19.485 32.085 1.00 0.00 H new ATOM 0 HE2 LYS A 9 28.246 20.115 29.673 1.00 0.00 H new ATOM 0 HE3 LYS A 9 29.884 19.637 29.275 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 28.321 17.876 28.811 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 29.388 17.396 30.042 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 27.800 17.859 30.427 1.00 0.00 H new ATOM 154 N ILE A 10 30.599 24.394 29.958 1.00 0.00 N ATOM 155 CA ILE A 10 31.896 24.911 29.501 1.00 0.00 C ATOM 156 C ILE A 10 32.242 26.264 30.148 1.00 0.00 C ATOM 157 O ILE A 10 33.339 26.425 30.675 1.00 0.00 O ATOM 158 CB ILE A 10 31.880 25.016 27.962 1.00 0.00 C ATOM 159 CG1 ILE A 10 31.789 23.657 27.242 1.00 0.00 C ATOM 160 CG2 ILE A 10 33.047 25.876 27.449 1.00 0.00 C ATOM 161 CD1 ILE A 10 33.004 22.754 27.430 1.00 0.00 C ATOM 0 H ILE A 10 29.920 24.274 29.206 1.00 0.00 H new ATOM 0 HA ILE A 10 32.676 24.216 29.812 1.00 0.00 H new ATOM 0 HB ILE A 10 30.952 25.527 27.705 1.00 0.00 H new ATOM 0 HG12 ILE A 10 30.903 23.131 27.599 1.00 0.00 H new ATOM 0 HG13 ILE A 10 31.647 23.835 26.176 1.00 0.00 H new ATOM 0 HG21 ILE A 10 33.008 25.931 26.361 1.00 0.00 H new ATOM 0 HG22 ILE A 10 32.970 26.880 27.866 1.00 0.00 H new ATOM 0 HG23 ILE A 10 33.992 25.428 27.756 1.00 0.00 H new ATOM 0 HD11 ILE A 10 32.851 21.821 26.888 1.00 0.00 H new ATOM 0 HD12 ILE A 10 33.893 23.255 27.046 1.00 0.00 H new ATOM 0 HD13 ILE A 10 33.138 22.540 28.490 1.00 0.00 H new ATOM 173 N LEU A 11 31.317 27.234 30.140 1.00 0.00 N ATOM 174 CA LEU A 11 31.520 28.547 30.774 1.00 0.00 C ATOM 175 C LEU A 11 31.640 28.431 32.305 1.00 0.00 C ATOM 176 O LEU A 11 32.357 29.210 32.937 1.00 0.00 O ATOM 177 CB LEU A 11 30.397 29.507 30.352 1.00 0.00 C ATOM 178 CG LEU A 11 30.667 30.128 28.964 1.00 0.00 C ATOM 179 CD1 LEU A 11 29.346 30.471 28.279 1.00 0.00 C ATOM 180 CD2 LEU A 11 31.507 31.399 29.088 1.00 0.00 C ATOM 0 H LEU A 11 30.406 27.132 29.694 1.00 0.00 H new ATOM 0 HA LEU A 11 32.468 28.958 30.428 1.00 0.00 H new ATOM 0 HB2 LEU A 11 29.448 28.971 30.332 1.00 0.00 H new ATOM 0 HB3 LEU A 11 30.299 30.301 31.093 1.00 0.00 H new ATOM 0 HG LEU A 11 31.215 29.397 28.370 1.00 0.00 H new ATOM 0 HD11 LEU A 11 29.546 30.908 27.301 1.00 0.00 H new ATOM 0 HD12 LEU A 11 28.753 29.564 28.157 1.00 0.00 H new ATOM 0 HD13 LEU A 11 28.794 31.185 28.890 1.00 0.00 H new ATOM 0 HD21 LEU A 11 31.683 31.817 28.097 1.00 0.00 H new ATOM 0 HD22 LEU A 11 30.976 32.128 29.700 1.00 0.00 H new ATOM 0 HD23 LEU A 11 32.462 31.160 29.556 1.00 0.00 H new ATOM 192 N ILE A 12 31.016 27.405 32.889 1.00 0.00 N ATOM 193 CA ILE A 12 31.110 27.107 34.333 1.00 0.00 C ATOM 194 C ILE A 12 32.546 26.719 34.720 1.00 0.00 C ATOM 195 O ILE A 12 33.036 27.137 35.769 1.00 0.00 O ATOM 196 CB ILE A 12 30.077 26.039 34.766 1.00 0.00 C ATOM 197 CG1 ILE A 12 28.623 26.457 34.454 1.00 0.00 C ATOM 198 CG2 ILE A 12 30.215 25.677 36.257 1.00 0.00 C ATOM 199 CD1 ILE A 12 28.125 27.731 35.144 1.00 0.00 C ATOM 0 H ILE A 12 30.426 26.750 32.376 1.00 0.00 H new ATOM 0 HA ILE A 12 30.861 28.016 34.880 1.00 0.00 H new ATOM 0 HB ILE A 12 30.302 25.153 34.172 1.00 0.00 H new ATOM 0 HG12 ILE A 12 28.528 26.591 33.376 1.00 0.00 H new ATOM 0 HG13 ILE A 12 27.963 25.636 34.732 1.00 0.00 H new ATOM 0 HG21 ILE A 12 29.471 24.924 36.519 1.00 0.00 H new ATOM 0 HG22 ILE A 12 31.213 25.281 36.445 1.00 0.00 H new ATOM 0 HG23 ILE A 12 30.058 26.569 36.864 1.00 0.00 H new ATOM 0 HD11 ILE A 12 27.093 27.925 34.850 1.00 0.00 H new ATOM 0 HD12 ILE A 12 28.176 27.603 36.225 1.00 0.00 H new ATOM 0 HD13 ILE A 12 28.751 28.573 34.848 1.00 0.00 H new ATOM 211 N MET A 13 33.273 26.015 33.839 1.00 0.00 N ATOM 212 CA MET A 13 34.672 25.630 34.063 1.00 0.00 C ATOM 213 C MET A 13 35.636 26.819 34.213 1.00 0.00 C ATOM 214 O MET A 13 36.717 26.629 34.766 1.00 0.00 O ATOM 215 CB MET A 13 35.172 24.697 32.945 1.00 0.00 C ATOM 216 CG MET A 13 34.411 23.372 32.846 1.00 0.00 C ATOM 217 SD MET A 13 34.605 22.263 34.267 1.00 0.00 S ATOM 218 CE MET A 13 33.409 20.982 33.795 1.00 0.00 C ATOM 0 H MET A 13 32.902 25.695 32.944 1.00 0.00 H new ATOM 0 HA MET A 13 34.674 25.105 35.018 1.00 0.00 H new ATOM 0 HB2 MET A 13 35.096 25.219 31.991 1.00 0.00 H new ATOM 0 HB3 MET A 13 36.228 24.485 33.109 1.00 0.00 H new ATOM 0 HG2 MET A 13 33.351 23.589 32.717 1.00 0.00 H new ATOM 0 HG3 MET A 13 34.741 22.848 31.949 1.00 0.00 H new ATOM 0 HE1 MET A 13 33.640 20.057 34.323 1.00 0.00 H new ATOM 0 HE2 MET A 13 32.403 21.309 34.058 1.00 0.00 H new ATOM 0 HE3 MET A 13 33.465 20.810 32.720 1.00 0.00 H new ATOM 228 N LEU A 14 35.194 28.014 33.837 1.00 0.00 N ATOM 229 CA LEU A 14 35.996 29.210 34.040 1.00 0.00 C ATOM 230 C LEU A 14 35.559 29.950 35.321 1.00 0.00 C ATOM 231 O LEU A 14 36.395 30.331 36.140 1.00 0.00 O ATOM 232 CB LEU A 14 35.881 30.141 32.833 1.00 0.00 C ATOM 233 CG LEU A 14 36.446 29.595 31.520 1.00 0.00 C ATOM 234 CD1 LEU A 14 35.447 29.772 30.387 1.00 0.00 C ATOM 235 CD2 LEU A 14 37.767 30.271 31.182 1.00 0.00 C ATOM 0 H LEU A 14 34.290 28.178 33.393 1.00 0.00 H new ATOM 0 HA LEU A 14 37.036 28.905 34.153 1.00 0.00 H new ATOM 0 HB2 LEU A 14 34.829 30.383 32.682 1.00 0.00 H new ATOM 0 HB3 LEU A 14 36.392 31.075 33.067 1.00 0.00 H new ATOM 0 HG LEU A 14 36.630 28.528 31.647 1.00 0.00 H new ATOM 0 HD11 LEU A 14 35.870 29.377 29.464 1.00 0.00 H new ATOM 0 HD12 LEU A 14 34.529 29.235 30.624 1.00 0.00 H new ATOM 0 HD13 LEU A 14 35.225 30.832 30.260 1.00 0.00 H new ATOM 0 HD21 LEU A 14 38.152 29.869 30.245 1.00 0.00 H new ATOM 0 HD22 LEU A 14 37.610 31.345 31.079 1.00 0.00 H new ATOM 0 HD23 LEU A 14 38.486 30.084 31.980 1.00 0.00 H new ATOM 247 N LYS A 15 34.248 30.147 35.481 1.00 0.00 N ATOM 248 CA LYS A 15 33.680 30.857 36.642 1.00 0.00 C ATOM 249 C LYS A 15 33.825 30.194 38.023 1.00 0.00 C ATOM 250 O LYS A 15 34.159 30.861 39.001 1.00 0.00 O ATOM 251 CB LYS A 15 32.197 31.141 36.378 1.00 0.00 C ATOM 252 CG LYS A 15 31.560 32.131 37.341 1.00 0.00 C ATOM 253 CD LYS A 15 30.849 31.436 38.492 1.00 0.00 C ATOM 254 CE LYS A 15 29.873 32.370 39.187 1.00 0.00 C ATOM 255 NZ LYS A 15 29.140 31.692 40.292 1.00 0.00 N1+ ATOM 0 H LYS A 15 33.548 29.822 34.814 1.00 0.00 H new ATOM 0 HA LYS A 15 34.286 31.760 36.719 1.00 0.00 H new ATOM 0 HB2 LYS A 15 32.089 31.522 35.362 1.00 0.00 H new ATOM 0 HB3 LYS A 15 31.647 30.201 36.427 1.00 0.00 H new ATOM 0 HG2 LYS A 15 32.328 32.795 37.738 1.00 0.00 H new ATOM 0 HG3 LYS A 15 30.848 32.755 36.800 1.00 0.00 H new ATOM 0 HD2 LYS A 15 30.315 30.563 38.117 1.00 0.00 H new ATOM 0 HD3 LYS A 15 31.584 31.075 39.211 1.00 0.00 H new ATOM 0 HE2 LYS A 15 30.414 33.229 39.585 1.00 0.00 H new ATOM 0 HE3 LYS A 15 29.158 32.753 38.459 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 28.485 32.365 40.739 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 28.602 30.888 39.910 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 29.820 31.349 41.000 1.00 0.00 H new ATOM 269 N GLU A 16 33.573 28.890 38.096 1.00 0.00 N ATOM 270 CA GLU A 16 33.667 28.135 39.352 1.00 0.00 C ATOM 271 C GLU A 16 35.113 28.143 39.814 1.00 0.00 C ATOM 272 O GLU A 16 35.431 28.083 41.002 1.00 0.00 O ATOM 273 CB GLU A 16 33.181 26.700 39.154 1.00 0.00 C ATOM 274 CG GLU A 16 33.178 25.868 40.427 1.00 0.00 C ATOM 275 CD GLU A 16 32.646 24.466 40.204 1.00 0.00 C ATOM 276 OE1 GLU A 16 32.315 24.130 39.047 1.00 0.00 O ATOM 277 OE2 GLU A 16 32.557 23.698 41.186 1.00 0.00 O ATOM 0 H GLU A 16 33.299 28.325 37.293 1.00 0.00 H new ATOM 0 HA GLU A 16 33.034 28.601 40.107 1.00 0.00 H new ATOM 0 HB2 GLU A 16 32.171 26.722 38.744 1.00 0.00 H new ATOM 0 HB3 GLU A 16 33.815 26.211 38.414 1.00 0.00 H new ATOM 0 HG2 GLU A 16 34.193 25.810 40.821 1.00 0.00 H new ATOM 0 HG3 GLU A 16 32.571 26.367 41.182 1.00 0.00 H new ATOM 284 N ASN A 17 35.965 28.217 38.810 1.00 0.00 N ATOM 285 CA ASN A 17 37.422 28.206 38.942 1.00 0.00 C ATOM 286 C ASN A 17 38.026 29.620 38.853 1.00 0.00 C ATOM 287 O ASN A 17 39.222 29.747 38.603 1.00 0.00 O ATOM 288 CB ASN A 17 38.046 27.218 37.933 1.00 0.00 C ATOM 289 CG ASN A 17 37.554 25.791 38.110 1.00 0.00 C ATOM 290 OD1 ASN A 17 37.465 25.264 39.209 1.00 0.00 O ATOM 291 ND2 ASN A 17 37.207 25.108 37.048 1.00 0.00 N ATOM 0 H ASN A 17 35.657 28.289 37.840 1.00 0.00 H new ATOM 0 HA ASN A 17 37.671 27.850 39.942 1.00 0.00 H new ATOM 0 HB2 ASN A 17 37.819 27.551 36.920 1.00 0.00 H new ATOM 0 HB3 ASN A 17 39.131 27.237 38.039 1.00 0.00 H new ATOM 0 HD21 ASN A 17 36.868 24.151 37.145 1.00 0.00 H new ATOM 0 HD22 ASN A 17 37.275 25.533 36.123 1.00 0.00 H new ATOM 298 N GLN A 18 37.250 30.680 39.070 1.00 0.00 N ATOM 299 CA GLN A 18 37.821 32.043 39.185 1.00 0.00 C ATOM 300 C GLN A 18 38.752 32.504 38.057 1.00 0.00 C ATOM 301 O GLN A 18 39.768 33.158 38.288 1.00 0.00 O ATOM 302 CB GLN A 18 38.566 32.172 40.516 1.00 0.00 C ATOM 303 CG GLN A 18 37.662 32.114 41.737 1.00 0.00 C ATOM 304 CD GLN A 18 38.435 32.171 43.040 1.00 0.00 C ATOM 305 OE1 GLN A 18 39.608 31.806 43.096 1.00 0.00 O ATOM 306 NE2 GLN A 18 37.777 32.634 44.097 1.00 0.00 N ATOM 0 H GLN A 18 36.236 30.635 39.170 1.00 0.00 H new ATOM 0 HA GLN A 18 36.953 32.698 39.116 1.00 0.00 H new ATOM 0 HB2 GLN A 18 39.306 31.374 40.586 1.00 0.00 H new ATOM 0 HB3 GLN A 18 39.112 33.115 40.525 1.00 0.00 H new ATOM 0 HG2 GLN A 18 36.956 32.944 41.701 1.00 0.00 H new ATOM 0 HG3 GLN A 18 37.076 31.196 41.707 1.00 0.00 H new ATOM 0 HE21 GLN A 18 36.804 32.926 44.004 1.00 0.00 H new ATOM 0 HE22 GLN A 18 38.245 32.698 45.001 1.00 0.00 H new ATOM 315 N CYS A 19 38.374 32.145 36.848 1.00 0.00 N ATOM 316 CA CYS A 19 39.095 32.461 35.611 1.00 0.00 C ATOM 317 C CYS A 19 38.256 33.256 34.600 1.00 0.00 C ATOM 318 O CYS A 19 38.700 33.492 33.483 1.00 0.00 O ATOM 319 CB CYS A 19 39.645 31.169 35.006 1.00 0.00 C ATOM 320 SG CYS A 19 40.993 30.511 36.032 1.00 0.00 S ATOM 0 H CYS A 19 37.525 31.604 36.683 1.00 0.00 H new ATOM 0 HA CYS A 19 39.922 33.123 35.868 1.00 0.00 H new ATOM 0 HB2 CYS A 19 38.848 30.430 34.925 1.00 0.00 H new ATOM 0 HB3 CYS A 19 40.008 31.359 33.996 1.00 0.00 H new ATOM 0 HG CYS A 19 40.520 30.139 37.184 1.00 0.00 H new ATOM 326 N THR A 20 37.075 33.715 35.013 1.00 0.00 N ATOM 327 CA THR A 20 36.153 34.386 34.092 1.00 0.00 C ATOM 328 C THR A 20 36.459 35.857 33.836 1.00 0.00 C ATOM 329 O THR A 20 35.887 36.756 34.453 1.00 0.00 O ATOM 330 CB THR A 20 34.702 34.283 34.601 1.00 0.00 C ATOM 331 OG1 THR A 20 33.817 34.924 33.673 1.00 0.00 O ATOM 332 CG2 THR A 20 34.565 34.938 35.968 1.00 0.00 C ATOM 0 H THR A 20 36.734 33.636 35.971 1.00 0.00 H new ATOM 0 HA THR A 20 36.287 33.859 33.147 1.00 0.00 H new ATOM 0 HB THR A 20 34.440 33.229 34.690 1.00 0.00 H new ATOM 0 HG1 THR A 20 34.195 34.872 32.771 1.00 0.00 H new ATOM 0 HG21 THR A 20 33.533 34.855 36.310 1.00 0.00 H new ATOM 0 HG22 THR A 20 35.224 34.439 36.678 1.00 0.00 H new ATOM 0 HG23 THR A 20 34.839 35.990 35.896 1.00 0.00 H new ATOM 340 N THR A 21 37.381 36.067 32.905 1.00 0.00 N ATOM 341 CA THR A 21 37.819 37.416 32.496 1.00 0.00 C ATOM 342 C THR A 21 38.711 37.392 31.252 1.00 0.00 C ATOM 343 O THR A 21 39.354 36.391 30.930 1.00 0.00 O ATOM 344 CB THR A 21 38.528 38.147 33.667 1.00 0.00 C ATOM 345 OG1 THR A 21 38.774 39.505 33.371 1.00 0.00 O ATOM 346 CG2 THR A 21 39.892 37.557 34.032 1.00 0.00 C ATOM 0 H THR A 21 37.853 35.313 32.406 1.00 0.00 H new ATOM 0 HA THR A 21 36.919 37.971 32.231 1.00 0.00 H new ATOM 0 HB THR A 21 37.832 38.026 34.497 1.00 0.00 H new ATOM 0 HG1 THR A 21 39.220 39.930 34.133 1.00 0.00 H new ATOM 0 HG21 THR A 21 40.324 38.122 34.858 1.00 0.00 H new ATOM 0 HG22 THR A 21 39.770 36.515 34.329 1.00 0.00 H new ATOM 0 HG23 THR A 21 40.555 37.613 33.169 1.00 0.00 H new ATOM 354 N GLU A 22 38.756 38.540 30.582 1.00 0.00 N ATOM 355 CA GLU A 22 39.511 38.719 29.345 1.00 0.00 C ATOM 356 C GLU A 22 41.007 38.501 29.517 1.00 0.00 C ATOM 357 O GLU A 22 41.659 37.935 28.640 1.00 0.00 O ATOM 358 CB GLU A 22 39.259 40.118 28.778 1.00 0.00 C ATOM 359 CG GLU A 22 37.809 40.381 28.407 1.00 0.00 C ATOM 360 CD GLU A 22 37.591 41.775 27.852 1.00 0.00 C ATOM 361 OE1 GLU A 22 38.566 42.555 27.800 1.00 0.00 O ATOM 362 OE2 GLU A 22 36.446 42.092 27.469 1.00 0.00 O ATOM 0 H GLU A 22 38.265 39.381 30.885 1.00 0.00 H new ATOM 0 HA GLU A 22 39.156 37.957 28.651 1.00 0.00 H new ATOM 0 HB2 GLU A 22 39.576 40.859 29.512 1.00 0.00 H new ATOM 0 HB3 GLU A 22 39.881 40.258 27.894 1.00 0.00 H new ATOM 0 HG2 GLU A 22 37.488 39.646 27.669 1.00 0.00 H new ATOM 0 HG3 GLU A 22 37.182 40.243 29.288 1.00 0.00 H new ATOM 369 N LEU A 23 41.563 38.960 30.639 1.00 0.00 N ATOM 370 CA LEU A 23 42.994 38.805 30.884 1.00 0.00 C ATOM 371 C LEU A 23 43.384 37.324 30.920 1.00 0.00 C ATOM 372 O LEU A 23 44.435 36.948 30.401 1.00 0.00 O ATOM 373 CB LEU A 23 43.419 39.542 32.161 1.00 0.00 C ATOM 374 CG LEU A 23 42.831 39.128 33.513 1.00 0.00 C ATOM 375 CD1 LEU A 23 43.653 38.002 34.118 1.00 0.00 C ATOM 376 CD2 LEU A 23 42.811 40.321 34.458 1.00 0.00 C ATOM 0 H LEU A 23 41.051 39.436 31.382 1.00 0.00 H new ATOM 0 HA LEU A 23 43.534 39.263 30.055 1.00 0.00 H new ATOM 0 HB2 LEU A 23 44.503 39.458 32.239 1.00 0.00 H new ATOM 0 HB3 LEU A 23 43.191 40.598 32.017 1.00 0.00 H new ATOM 0 HG LEU A 23 41.810 38.777 33.361 1.00 0.00 H new ATOM 0 HD11 LEU A 23 43.226 37.716 35.079 1.00 0.00 H new ATOM 0 HD12 LEU A 23 43.644 37.143 33.447 1.00 0.00 H new ATOM 0 HD13 LEU A 23 44.680 38.338 34.263 1.00 0.00 H new ATOM 0 HD21 LEU A 23 42.391 40.018 35.417 1.00 0.00 H new ATOM 0 HD22 LEU A 23 43.828 40.685 34.605 1.00 0.00 H new ATOM 0 HD23 LEU A 23 42.200 41.115 34.029 1.00 0.00 H new ATOM 388 N LYS A 24 42.542 36.472 31.531 1.00 0.00 N ATOM 389 CA LYS A 24 42.812 35.042 31.580 1.00 0.00 C ATOM 390 C LYS A 24 42.348 34.398 30.265 1.00 0.00 C ATOM 391 O LYS A 24 41.230 34.652 29.817 1.00 0.00 O ATOM 392 CB LYS A 24 42.079 34.389 32.754 1.00 0.00 C ATOM 393 CG LYS A 24 42.830 34.452 34.074 1.00 0.00 C ATOM 394 CD LYS A 24 42.059 35.253 35.111 1.00 0.00 C ATOM 395 CE LYS A 24 42.828 35.361 36.419 1.00 0.00 C ATOM 396 NZ LYS A 24 42.101 36.184 37.425 1.00 0.00 N1+ ATOM 0 H LYS A 24 41.677 36.755 31.992 1.00 0.00 H new ATOM 0 HA LYS A 24 43.883 34.891 31.716 1.00 0.00 H new ATOM 0 HB2 LYS A 24 41.110 34.874 32.877 1.00 0.00 H new ATOM 0 HB3 LYS A 24 41.884 33.345 32.510 1.00 0.00 H new ATOM 0 HG2 LYS A 24 43.002 33.442 34.446 1.00 0.00 H new ATOM 0 HG3 LYS A 24 43.809 34.904 33.916 1.00 0.00 H new ATOM 0 HD2 LYS A 24 41.856 36.252 34.724 1.00 0.00 H new ATOM 0 HD3 LYS A 24 41.094 34.780 35.293 1.00 0.00 H new ATOM 0 HE2 LYS A 24 43.000 34.363 36.822 1.00 0.00 H new ATOM 0 HE3 LYS A 24 43.807 35.801 36.229 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 42.658 36.233 38.302 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 41.959 37.144 37.051 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 41.177 35.751 37.626 1.00 0.00 H new ATOM 410 N SER A 25 43.190 33.570 29.646 1.00 0.00 N ATOM 411 CA SER A 25 42.831 32.903 28.401 1.00 0.00 C ATOM 412 C SER A 25 43.064 31.411 28.581 1.00 0.00 C ATOM 413 O SER A 25 44.041 31.013 29.218 1.00 0.00 O ATOM 414 CB SER A 25 43.670 33.437 27.240 1.00 0.00 C ATOM 415 OG SER A 25 43.385 34.803 26.991 1.00 0.00 O ATOM 0 H SER A 25 44.124 33.347 29.989 1.00 0.00 H new ATOM 0 HA SER A 25 41.784 33.095 28.166 1.00 0.00 H new ATOM 0 HB2 SER A 25 44.729 33.319 27.468 1.00 0.00 H new ATOM 0 HB3 SER A 25 43.470 32.851 26.343 1.00 0.00 H new ATOM 0 HG SER A 25 43.935 35.121 26.245 1.00 0.00 H new ATOM 421 N PHE A 26 42.185 30.578 28.033 1.00 0.00 N ATOM 422 CA PHE A 26 42.365 29.132 28.207 1.00 0.00 C ATOM 423 C PHE A 26 42.705 28.423 26.875 1.00 0.00 C ATOM 424 O PHE A 26 42.018 28.616 25.868 1.00 0.00 O ATOM 425 CB PHE A 26 41.059 28.570 28.796 1.00 0.00 C ATOM 426 CG PHE A 26 41.095 28.149 30.253 1.00 0.00 C ATOM 427 CD1 PHE A 26 40.874 29.078 31.290 1.00 0.00 C ATOM 428 CD2 PHE A 26 41.231 26.788 30.571 1.00 0.00 C ATOM 429 CE1 PHE A 26 40.712 28.627 32.617 1.00 0.00 C ATOM 430 CE2 PHE A 26 41.068 26.346 31.891 1.00 0.00 C ATOM 431 CZ PHE A 26 40.801 27.259 32.919 1.00 0.00 C ATOM 0 H PHE A 26 41.371 30.858 27.485 1.00 0.00 H new ATOM 0 HA PHE A 26 43.207 28.951 28.876 1.00 0.00 H new ATOM 0 HB2 PHE A 26 40.281 29.324 28.679 1.00 0.00 H new ATOM 0 HB3 PHE A 26 40.760 27.708 28.200 1.00 0.00 H new ATOM 0 HD1 PHE A 26 40.829 30.134 31.069 1.00 0.00 H new ATOM 0 HD2 PHE A 26 41.463 26.076 29.792 1.00 0.00 H new ATOM 0 HE1 PHE A 26 40.518 29.339 33.406 1.00 0.00 H new ATOM 0 HE2 PHE A 26 41.149 25.293 32.117 1.00 0.00 H new ATOM 0 HZ PHE A 26 40.665 26.914 33.933 1.00 0.00 H new ATOM 441 N THR A 27 43.723 27.551 26.869 1.00 0.00 N ATOM 442 CA THR A 27 44.015 26.638 25.742 1.00 0.00 C ATOM 443 C THR A 27 43.080 25.419 25.736 1.00 0.00 C ATOM 444 O THR A 27 42.548 25.016 26.774 1.00 0.00 O ATOM 445 CB THR A 27 45.473 26.135 25.731 1.00 0.00 C ATOM 446 OG1 THR A 27 45.676 25.147 26.718 1.00 0.00 O ATOM 447 CG2 THR A 27 46.516 27.229 25.937 1.00 0.00 C ATOM 0 H THR A 27 44.374 27.455 27.648 1.00 0.00 H new ATOM 0 HA THR A 27 43.849 27.237 24.847 1.00 0.00 H new ATOM 0 HB THR A 27 45.613 25.727 24.730 1.00 0.00 H new ATOM 0 HG1 THR A 27 46.057 24.345 26.304 1.00 0.00 H new ATOM 0 HG21 THR A 27 47.513 26.790 25.915 1.00 0.00 H new ATOM 0 HG22 THR A 27 46.428 27.969 25.142 1.00 0.00 H new ATOM 0 HG23 THR A 27 46.353 27.711 26.901 1.00 0.00 H new ATOM 455 N TYR A 28 42.919 24.760 24.581 1.00 0.00 N ATOM 456 CA TYR A 28 42.124 23.527 24.493 1.00 0.00 C ATOM 457 C TYR A 28 42.689 22.357 25.321 1.00 0.00 C ATOM 458 O TYR A 28 41.902 21.565 25.831 1.00 0.00 O ATOM 459 CB TYR A 28 41.946 23.092 23.030 1.00 0.00 C ATOM 460 CG TYR A 28 41.152 24.010 22.113 1.00 0.00 C ATOM 461 CD1 TYR A 28 40.009 24.689 22.584 1.00 0.00 C ATOM 462 CD2 TYR A 28 41.501 24.103 20.750 1.00 0.00 C ATOM 463 CE1 TYR A 28 39.228 25.461 21.705 1.00 0.00 C ATOM 464 CE2 TYR A 28 40.718 24.870 19.865 1.00 0.00 C ATOM 465 CZ TYR A 28 39.576 25.546 20.342 1.00 0.00 C ATOM 466 OH TYR A 28 38.811 26.274 19.492 1.00 0.00 O ATOM 0 H TYR A 28 43.328 25.059 23.696 1.00 0.00 H new ATOM 0 HA TYR A 28 41.156 23.776 24.927 1.00 0.00 H new ATOM 0 HB2 TYR A 28 42.937 22.959 22.596 1.00 0.00 H new ATOM 0 HB3 TYR A 28 41.463 22.115 23.027 1.00 0.00 H new ATOM 0 HD1 TYR A 28 39.732 24.616 23.625 1.00 0.00 H new ATOM 0 HD2 TYR A 28 42.373 23.583 20.382 1.00 0.00 H new ATOM 0 HE1 TYR A 28 38.361 25.989 22.075 1.00 0.00 H new ATOM 0 HE2 TYR A 28 40.992 24.940 18.823 1.00 0.00 H new ATOM 0 HH TYR A 28 39.010 27.227 19.607 1.00 0.00 H new ATOM 476 N THR A 29 44.011 22.243 25.510 1.00 0.00 N ATOM 477 CA THR A 29 44.593 21.194 26.372 1.00 0.00 C ATOM 478 C THR A 29 44.301 21.452 27.849 1.00 0.00 C ATOM 479 O THR A 29 43.854 20.550 28.556 1.00 0.00 O ATOM 480 CB THR A 29 46.107 21.042 26.171 1.00 0.00 C ATOM 481 OG1 THR A 29 46.801 22.243 26.420 1.00 0.00 O ATOM 482 CG2 THR A 29 46.458 20.603 24.754 1.00 0.00 C ATOM 0 H THR A 29 44.700 22.861 25.080 1.00 0.00 H new ATOM 0 HA THR A 29 44.114 20.263 26.071 1.00 0.00 H new ATOM 0 HB THR A 29 46.411 20.278 26.887 1.00 0.00 H new ATOM 0 HG1 THR A 29 47.761 22.101 26.282 1.00 0.00 H new ATOM 0 HG21 THR A 29 47.540 20.509 24.660 1.00 0.00 H new ATOM 0 HG22 THR A 29 45.990 19.641 24.545 1.00 0.00 H new ATOM 0 HG23 THR A 29 46.095 21.345 24.043 1.00 0.00 H new ATOM 490 N LYS A 30 44.450 22.702 28.304 1.00 0.00 N ATOM 491 CA LYS A 30 44.119 23.122 29.671 1.00 0.00 C ATOM 492 C LYS A 30 42.617 22.979 29.970 1.00 0.00 C ATOM 493 O LYS A 30 42.257 22.569 31.071 1.00 0.00 O ATOM 494 CB LYS A 30 44.653 24.550 29.850 1.00 0.00 C ATOM 495 CG LYS A 30 44.419 25.168 31.232 1.00 0.00 C ATOM 496 CD LYS A 30 44.998 24.389 32.416 1.00 0.00 C ATOM 497 CE LYS A 30 44.917 25.285 33.655 1.00 0.00 C ATOM 498 NZ LYS A 30 45.784 24.799 34.748 1.00 0.00 N1+ ATOM 0 H LYS A 30 44.809 23.461 27.725 1.00 0.00 H new ATOM 0 HA LYS A 30 44.595 22.471 30.404 1.00 0.00 H new ATOM 0 HB2 LYS A 30 45.724 24.548 29.648 1.00 0.00 H new ATOM 0 HB3 LYS A 30 44.189 25.191 29.100 1.00 0.00 H new ATOM 0 HG2 LYS A 30 44.845 26.171 31.238 1.00 0.00 H new ATOM 0 HG3 LYS A 30 43.345 25.277 31.383 1.00 0.00 H new ATOM 0 HD2 LYS A 30 44.440 23.467 32.575 1.00 0.00 H new ATOM 0 HD3 LYS A 30 46.032 24.106 32.217 1.00 0.00 H new ATOM 0 HE2 LYS A 30 45.207 26.301 33.387 1.00 0.00 H new ATOM 0 HE3 LYS A 30 43.885 25.329 34.003 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 45.699 25.434 35.567 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 45.492 23.839 35.022 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 46.772 24.781 34.425 1.00 0.00 H new ATOM 512 N LEU A 31 41.742 23.235 28.989 1.00 0.00 N ATOM 513 CA LEU A 31 40.310 22.921 29.095 1.00 0.00 C ATOM 514 C LEU A 31 40.030 21.410 29.103 1.00 0.00 C ATOM 515 O LEU A 31 39.155 20.976 29.847 1.00 0.00 O ATOM 516 CB LEU A 31 39.517 23.575 27.945 1.00 0.00 C ATOM 517 CG LEU A 31 39.411 25.107 28.001 1.00 0.00 C ATOM 518 CD1 LEU A 31 38.871 25.677 26.690 1.00 0.00 C ATOM 519 CD2 LEU A 31 38.494 25.575 29.133 1.00 0.00 C ATOM 0 H LEU A 31 42.005 23.664 28.102 1.00 0.00 H new ATOM 0 HA LEU A 31 39.983 23.328 30.052 1.00 0.00 H new ATOM 0 HB2 LEU A 31 39.983 23.295 27.000 1.00 0.00 H new ATOM 0 HB3 LEU A 31 38.510 23.159 27.939 1.00 0.00 H new ATOM 0 HG LEU A 31 40.423 25.471 28.178 1.00 0.00 H new ATOM 0 HD11 LEU A 31 38.809 26.763 26.764 1.00 0.00 H new ATOM 0 HD12 LEU A 31 39.540 25.407 25.873 1.00 0.00 H new ATOM 0 HD13 LEU A 31 37.879 25.269 26.497 1.00 0.00 H new ATOM 0 HD21 LEU A 31 38.447 26.664 29.137 1.00 0.00 H new ATOM 0 HD22 LEU A 31 37.494 25.169 28.982 1.00 0.00 H new ATOM 0 HD23 LEU A 31 38.887 25.225 30.088 1.00 0.00 H new ATOM 531 N CYS A 32 40.754 20.606 28.316 1.00 0.00 N ATOM 532 CA CYS A 32 40.584 19.149 28.255 1.00 0.00 C ATOM 533 C CYS A 32 40.770 18.494 29.636 1.00 0.00 C ATOM 534 O CYS A 32 39.941 17.679 30.039 1.00 0.00 O ATOM 535 CB CYS A 32 41.552 18.589 27.197 1.00 0.00 C ATOM 536 SG CYS A 32 41.355 16.796 27.001 1.00 0.00 S ATOM 0 H CYS A 32 41.485 20.954 27.695 1.00 0.00 H new ATOM 0 HA CYS A 32 39.563 18.909 27.959 1.00 0.00 H new ATOM 0 HB2 CYS A 32 41.374 19.083 26.242 1.00 0.00 H new ATOM 0 HB3 CYS A 32 42.579 18.814 27.486 1.00 0.00 H new ATOM 0 HG CYS A 32 40.118 16.525 26.709 1.00 0.00 H new ATOM 542 N ASN A 33 41.780 18.915 30.413 1.00 0.00 N ATOM 543 CA ASN A 33 42.001 18.436 31.780 1.00 0.00 C ATOM 544 C ASN A 33 40.797 18.670 32.715 1.00 0.00 C ATOM 545 O ASN A 33 40.359 17.735 33.385 1.00 0.00 O ATOM 546 CB ASN A 33 43.266 19.108 32.344 1.00 0.00 C ATOM 547 CG ASN A 33 44.544 18.458 31.854 1.00 0.00 C ATOM 548 OD1 ASN A 33 45.172 18.892 30.904 1.00 0.00 O ATOM 549 ND2 ASN A 33 44.974 17.388 32.481 1.00 0.00 N ATOM 0 H ASN A 33 42.469 19.602 30.105 1.00 0.00 H new ATOM 0 HA ASN A 33 42.131 17.355 31.733 1.00 0.00 H new ATOM 0 HB2 ASN A 33 43.268 20.161 32.063 1.00 0.00 H new ATOM 0 HB3 ASN A 33 43.238 19.069 33.433 1.00 0.00 H new ATOM 0 HD21 ASN A 33 45.829 16.925 32.172 1.00 0.00 H new ATOM 0 HD22 ASN A 33 44.453 17.019 33.277 1.00 0.00 H new ATOM 556 N ILE A 34 40.264 19.897 32.769 1.00 0.00 N ATOM 557 CA ILE A 34 39.191 20.258 33.718 1.00 0.00 C ATOM 558 C ILE A 34 37.796 19.848 33.226 1.00 0.00 C ATOM 559 O ILE A 34 36.971 19.381 34.010 1.00 0.00 O ATOM 560 CB ILE A 34 39.263 21.757 34.097 1.00 0.00 C ATOM 561 CG1 ILE A 34 38.958 22.728 32.934 1.00 0.00 C ATOM 562 CG2 ILE A 34 40.645 22.062 34.693 1.00 0.00 C ATOM 563 CD1 ILE A 34 39.053 24.197 33.356 1.00 0.00 C ATOM 0 H ILE A 34 40.557 20.664 32.164 1.00 0.00 H new ATOM 0 HA ILE A 34 39.363 19.680 34.626 1.00 0.00 H new ATOM 0 HB ILE A 34 38.474 21.927 34.830 1.00 0.00 H new ATOM 0 HG12 ILE A 34 39.656 22.542 32.117 1.00 0.00 H new ATOM 0 HG13 ILE A 34 37.958 22.528 32.550 1.00 0.00 H new ATOM 0 HG21 ILE A 34 40.701 23.117 34.962 1.00 0.00 H new ATOM 0 HG22 ILE A 34 40.800 21.452 35.583 1.00 0.00 H new ATOM 0 HG23 ILE A 34 41.417 21.834 33.958 1.00 0.00 H new ATOM 0 HD11 ILE A 34 38.830 24.836 32.502 1.00 0.00 H new ATOM 0 HD12 ILE A 34 38.336 24.394 34.153 1.00 0.00 H new ATOM 0 HD13 ILE A 34 40.061 24.408 33.714 1.00 0.00 H new ATOM 575 N SER A 35 37.538 19.985 31.921 1.00 0.00 N ATOM 576 CA SER A 35 36.251 19.664 31.300 1.00 0.00 C ATOM 577 C SER A 35 36.117 18.192 30.894 1.00 0.00 C ATOM 578 O SER A 35 35.008 17.756 30.569 1.00 0.00 O ATOM 579 CB SER A 35 35.998 20.583 30.103 1.00 0.00 C ATOM 580 OG SER A 35 34.638 20.498 29.731 1.00 0.00 O ATOM 0 H SER A 35 38.231 20.328 31.256 1.00 0.00 H new ATOM 0 HA SER A 35 35.488 19.835 32.059 1.00 0.00 H new ATOM 0 HB2 SER A 35 36.254 21.611 30.358 1.00 0.00 H new ATOM 0 HB3 SER A 35 36.635 20.294 29.267 1.00 0.00 H new ATOM 0 HG SER A 35 34.306 19.593 29.909 1.00 0.00 H new ATOM 586 N LYS A 36 37.216 17.422 30.936 1.00 0.00 N ATOM 587 CA LYS A 36 37.249 15.951 30.831 1.00 0.00 C ATOM 588 C LYS A 36 36.694 15.384 29.522 1.00 0.00 C ATOM 589 O LYS A 36 36.062 14.327 29.490 1.00 0.00 O ATOM 590 CB LYS A 36 36.575 15.364 32.074 1.00 0.00 C ATOM 591 CG LYS A 36 37.361 15.632 33.365 1.00 0.00 C ATOM 592 CD LYS A 36 38.563 14.704 33.574 1.00 0.00 C ATOM 593 CE LYS A 36 39.024 14.740 35.036 1.00 0.00 C ATOM 594 NZ LYS A 36 38.034 14.094 35.935 1.00 0.00 N1+ ATOM 0 H LYS A 36 38.147 17.823 31.049 1.00 0.00 H new ATOM 0 HA LYS A 36 38.294 15.643 30.796 1.00 0.00 H new ATOM 0 HB2 LYS A 36 35.574 15.784 32.171 1.00 0.00 H new ATOM 0 HB3 LYS A 36 36.458 14.288 31.943 1.00 0.00 H new ATOM 0 HG2 LYS A 36 37.711 16.664 33.356 1.00 0.00 H new ATOM 0 HG3 LYS A 36 36.686 15.531 34.215 1.00 0.00 H new ATOM 0 HD2 LYS A 36 38.295 13.685 33.296 1.00 0.00 H new ATOM 0 HD3 LYS A 36 39.382 15.007 32.921 1.00 0.00 H new ATOM 0 HE2 LYS A 36 39.985 14.234 35.128 1.00 0.00 H new ATOM 0 HE3 LYS A 36 39.177 15.774 35.345 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 38.504 13.799 36.814 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 37.275 14.769 36.158 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 37.628 13.261 35.463 1.00 0.00 H new ATOM 608 N LEU A 37 36.900 16.110 28.431 1.00 0.00 N ATOM 609 CA LEU A 37 36.362 15.814 27.117 1.00 0.00 C ATOM 610 C LEU A 37 37.324 16.304 26.037 1.00 0.00 C ATOM 611 O LEU A 37 38.065 17.262 26.259 1.00 0.00 O ATOM 612 CB LEU A 37 34.946 16.402 27.053 1.00 0.00 C ATOM 613 CG LEU A 37 34.780 17.926 27.252 1.00 0.00 C ATOM 614 CD1 LEU A 37 34.960 18.747 25.983 1.00 0.00 C ATOM 615 CD2 LEU A 37 33.358 18.250 27.713 1.00 0.00 C ATOM 0 H LEU A 37 37.471 16.955 28.442 1.00 0.00 H new ATOM 0 HA LEU A 37 36.270 14.744 26.932 1.00 0.00 H new ATOM 0 HB2 LEU A 37 34.522 16.144 26.083 1.00 0.00 H new ATOM 0 HB3 LEU A 37 34.342 15.899 27.808 1.00 0.00 H new ATOM 0 HG LEU A 37 35.552 18.183 27.977 1.00 0.00 H new ATOM 0 HD11 LEU A 37 34.827 19.804 26.212 1.00 0.00 H new ATOM 0 HD12 LEU A 37 35.961 18.585 25.584 1.00 0.00 H new ATOM 0 HD13 LEU A 37 34.221 18.440 25.243 1.00 0.00 H new ATOM 0 HD21 LEU A 37 33.256 19.327 27.849 1.00 0.00 H new ATOM 0 HD22 LEU A 37 32.646 17.910 26.961 1.00 0.00 H new ATOM 0 HD23 LEU A 37 33.158 17.744 28.658 1.00 0.00 H new ATOM 627 N SER A 38 37.331 15.617 24.894 1.00 0.00 N ATOM 628 CA SER A 38 38.356 15.761 23.858 1.00 0.00 C ATOM 629 C SER A 38 38.531 17.210 23.395 1.00 0.00 C ATOM 630 O SER A 38 37.569 17.979 23.315 1.00 0.00 O ATOM 631 CB SER A 38 38.027 14.866 22.657 1.00 0.00 C ATOM 632 OG SER A 38 37.864 13.518 23.066 1.00 0.00 O ATOM 0 H SER A 38 36.612 14.933 24.658 1.00 0.00 H new ATOM 0 HA SER A 38 39.300 15.449 24.304 1.00 0.00 H new ATOM 0 HB2 SER A 38 37.115 15.218 22.174 1.00 0.00 H new ATOM 0 HB3 SER A 38 38.825 14.933 21.918 1.00 0.00 H new ATOM 0 HG SER A 38 37.653 12.963 22.286 1.00 0.00 H new ATOM 638 N MET A 39 39.763 17.580 23.028 1.00 0.00 N ATOM 639 CA MET A 39 40.079 18.948 22.592 1.00 0.00 C ATOM 640 C MET A 39 39.270 19.401 21.357 1.00 0.00 C ATOM 641 O MET A 39 39.026 20.593 21.187 1.00 0.00 O ATOM 642 CB MET A 39 41.591 19.123 22.402 1.00 0.00 C ATOM 643 CG MET A 39 42.265 18.129 21.452 1.00 0.00 C ATOM 644 SD MET A 39 44.016 18.532 21.219 1.00 0.00 S ATOM 645 CE MET A 39 44.646 16.931 20.657 1.00 0.00 C ATOM 0 H MET A 39 40.563 16.948 23.024 1.00 0.00 H new ATOM 0 HA MET A 39 39.764 19.616 23.393 1.00 0.00 H new ATOM 0 HB2 MET A 39 41.777 20.132 22.033 1.00 0.00 H new ATOM 0 HB3 MET A 39 42.071 19.047 23.377 1.00 0.00 H new ATOM 0 HG2 MET A 39 42.171 17.119 21.851 1.00 0.00 H new ATOM 0 HG3 MET A 39 41.755 18.139 20.489 1.00 0.00 H new ATOM 0 HE1 MET A 39 45.717 17.007 20.468 1.00 0.00 H new ATOM 0 HE2 MET A 39 44.466 16.179 21.425 1.00 0.00 H new ATOM 0 HE3 MET A 39 44.135 16.641 19.739 1.00 0.00 H new ATOM 655 N SER A 40 38.777 18.468 20.537 1.00 0.00 N ATOM 656 CA SER A 40 37.797 18.711 19.470 1.00 0.00 C ATOM 657 C SER A 40 36.373 18.994 19.986 1.00 0.00 C ATOM 658 O SER A 40 35.715 19.915 19.496 1.00 0.00 O ATOM 659 CB SER A 40 37.786 17.491 18.554 1.00 0.00 C ATOM 660 OG SER A 40 37.557 16.318 19.310 1.00 0.00 O ATOM 0 H SER A 40 39.058 17.489 20.598 1.00 0.00 H new ATOM 0 HA SER A 40 38.102 19.612 18.938 1.00 0.00 H new ATOM 0 HB2 SER A 40 37.010 17.602 17.797 1.00 0.00 H new ATOM 0 HB3 SER A 40 38.737 17.414 18.027 1.00 0.00 H new ATOM 0 HG SER A 40 37.550 15.541 18.713 1.00 0.00 H new ATOM 666 N THR A 41 35.901 18.265 21.002 1.00 0.00 N ATOM 667 CA THR A 41 34.577 18.435 21.633 1.00 0.00 C ATOM 668 C THR A 41 34.448 19.813 22.300 1.00 0.00 C ATOM 669 O THR A 41 33.440 20.507 22.130 1.00 0.00 O ATOM 670 CB THR A 41 34.316 17.307 22.662 1.00 0.00 C ATOM 671 OG1 THR A 41 34.676 16.051 22.135 1.00 0.00 O ATOM 672 CG2 THR A 41 32.843 17.224 23.061 1.00 0.00 C ATOM 0 H THR A 41 36.444 17.513 21.426 1.00 0.00 H new ATOM 0 HA THR A 41 33.823 18.372 20.848 1.00 0.00 H new ATOM 0 HB THR A 41 34.922 17.551 23.535 1.00 0.00 H new ATOM 0 HG1 THR A 41 34.504 15.355 22.803 1.00 0.00 H new ATOM 0 HG21 THR A 41 32.707 16.420 23.784 1.00 0.00 H new ATOM 0 HG22 THR A 41 32.533 18.169 23.507 1.00 0.00 H new ATOM 0 HG23 THR A 41 32.237 17.024 22.177 1.00 0.00 H new ATOM 680 N VAL A 42 35.497 20.270 22.997 1.00 0.00 N ATOM 681 CA VAL A 42 35.541 21.635 23.562 1.00 0.00 C ATOM 682 C VAL A 42 35.683 22.714 22.489 1.00 0.00 C ATOM 683 O VAL A 42 35.051 23.762 22.581 1.00 0.00 O ATOM 684 CB VAL A 42 36.617 21.769 24.650 1.00 0.00 C ATOM 685 CG1 VAL A 42 38.046 21.645 24.137 1.00 0.00 C ATOM 686 CG2 VAL A 42 36.487 23.103 25.384 1.00 0.00 C ATOM 0 H VAL A 42 36.332 19.716 23.186 1.00 0.00 H new ATOM 0 HA VAL A 42 34.574 21.800 24.038 1.00 0.00 H new ATOM 0 HB VAL A 42 36.435 20.930 25.322 1.00 0.00 H new ATOM 0 HG11 VAL A 42 38.742 21.752 24.969 1.00 0.00 H new ATOM 0 HG12 VAL A 42 38.182 20.668 23.673 1.00 0.00 H new ATOM 0 HG13 VAL A 42 38.238 22.426 23.402 1.00 0.00 H new ATOM 0 HG21 VAL A 42 37.260 23.174 26.149 1.00 0.00 H new ATOM 0 HG22 VAL A 42 36.603 23.922 24.674 1.00 0.00 H new ATOM 0 HG23 VAL A 42 35.505 23.166 25.853 1.00 0.00 H new ATOM 696 N ARG A 43 36.445 22.454 21.423 1.00 0.00 N ATOM 697 CA ARG A 43 36.572 23.332 20.259 1.00 0.00 C ATOM 698 C ARG A 43 35.219 23.575 19.575 1.00 0.00 C ATOM 699 O ARG A 43 34.925 24.722 19.245 1.00 0.00 O ATOM 700 CB ARG A 43 37.656 22.709 19.369 1.00 0.00 C ATOM 701 CG ARG A 43 37.720 23.232 17.944 1.00 0.00 C ATOM 702 CD ARG A 43 38.906 22.572 17.222 1.00 0.00 C ATOM 703 NE ARG A 43 38.968 22.918 15.793 1.00 0.00 N ATOM 704 CZ ARG A 43 38.261 22.396 14.807 1.00 0.00 C ATOM 705 NH1 ARG A 43 37.387 21.462 15.051 1.00 0.00 N ATOM 706 NH2 ARG A 43 38.419 22.817 13.593 1.00 0.00 N ATOM 0 H ARG A 43 37.005 21.605 21.345 1.00 0.00 H new ATOM 0 HA ARG A 43 36.883 24.340 20.533 1.00 0.00 H new ATOM 0 HB2 ARG A 43 38.625 22.872 19.840 1.00 0.00 H new ATOM 0 HB3 ARG A 43 37.496 21.631 19.334 1.00 0.00 H new ATOM 0 HG2 ARG A 43 36.790 23.012 17.420 1.00 0.00 H new ATOM 0 HG3 ARG A 43 37.836 24.316 17.945 1.00 0.00 H new ATOM 0 HD2 ARG A 43 39.834 22.876 17.705 1.00 0.00 H new ATOM 0 HD3 ARG A 43 38.832 21.490 17.326 1.00 0.00 H new ATOM 0 HE ARG A 43 39.634 23.645 15.534 1.00 0.00 H new ATOM 0 HH11 ARG A 43 37.247 21.132 16.006 1.00 0.00 H new ATOM 0 HH12 ARG A 43 36.843 21.061 14.287 1.00 0.00 H new ATOM 0 HH21 ARG A 43 39.093 23.556 13.393 1.00 0.00 H new ATOM 0 HH22 ARG A 43 37.870 22.409 12.836 1.00 0.00 H new ATOM 720 N ARG A 44 34.356 22.557 19.426 1.00 0.00 N ATOM 721 CA ARG A 44 33.005 22.698 18.862 1.00 0.00 C ATOM 722 C ARG A 44 32.111 23.659 19.658 1.00 0.00 C ATOM 723 O ARG A 44 31.438 24.501 19.069 1.00 0.00 O ATOM 724 CB ARG A 44 32.355 21.301 18.736 1.00 0.00 C ATOM 725 CG ARG A 44 31.570 21.246 17.425 1.00 0.00 C ATOM 726 CD ARG A 44 30.638 20.035 17.270 1.00 0.00 C ATOM 727 NE ARG A 44 30.069 20.018 15.907 1.00 0.00 N ATOM 728 CZ ARG A 44 28.892 19.580 15.499 1.00 0.00 C ATOM 729 NH1 ARG A 44 28.049 19.074 16.348 1.00 0.00 N ATOM 730 NH2 ARG A 44 28.551 19.686 14.249 1.00 0.00 N ATOM 0 H ARG A 44 34.581 21.600 19.698 1.00 0.00 H new ATOM 0 HA ARG A 44 33.106 23.148 17.874 1.00 0.00 H new ATOM 0 HB2 ARG A 44 33.120 20.525 18.752 1.00 0.00 H new ATOM 0 HB3 ARG A 44 31.693 21.114 19.582 1.00 0.00 H new ATOM 0 HG2 ARG A 44 30.975 22.155 17.338 1.00 0.00 H new ATOM 0 HG3 ARG A 44 32.278 21.248 16.596 1.00 0.00 H new ATOM 0 HD2 ARG A 44 31.189 19.113 17.456 1.00 0.00 H new ATOM 0 HD3 ARG A 44 29.838 20.083 18.008 1.00 0.00 H new ATOM 0 HE ARG A 44 30.671 20.399 15.177 1.00 0.00 H new ATOM 0 HH11 ARG A 44 28.295 19.013 17.336 1.00 0.00 H new ATOM 0 HH12 ARG A 44 27.141 18.737 16.027 1.00 0.00 H new ATOM 0 HH21 ARG A 44 29.194 20.109 13.579 1.00 0.00 H new ATOM 0 HH22 ARG A 44 27.641 19.346 13.938 1.00 0.00 H new ATOM 744 N SER A 45 32.126 23.560 20.988 1.00 0.00 N ATOM 745 CA SER A 45 31.350 24.427 21.894 1.00 0.00 C ATOM 746 C SER A 45 31.954 25.833 22.030 1.00 0.00 C ATOM 747 O SER A 45 31.230 26.815 21.874 1.00 0.00 O ATOM 748 CB SER A 45 31.162 23.737 23.251 1.00 0.00 C ATOM 749 OG SER A 45 32.360 23.146 23.718 1.00 0.00 O ATOM 0 H SER A 45 32.686 22.864 21.481 1.00 0.00 H new ATOM 0 HA SER A 45 30.366 24.578 21.451 1.00 0.00 H new ATOM 0 HB2 SER A 45 30.809 24.465 23.981 1.00 0.00 H new ATOM 0 HB3 SER A 45 30.391 22.972 23.164 1.00 0.00 H new ATOM 0 HG SER A 45 33.127 23.582 23.293 1.00 0.00 H new ATOM 755 N ILE A 46 33.277 25.963 22.194 1.00 0.00 N ATOM 756 CA ILE A 46 33.983 27.262 22.156 1.00 0.00 C ATOM 757 C ILE A 46 33.704 28.037 20.861 1.00 0.00 C ATOM 758 O ILE A 46 33.425 29.232 20.928 1.00 0.00 O ATOM 759 CB ILE A 46 35.504 27.055 22.378 1.00 0.00 C ATOM 760 CG1 ILE A 46 35.813 26.865 23.883 1.00 0.00 C ATOM 761 CG2 ILE A 46 36.387 28.169 21.780 1.00 0.00 C ATOM 762 CD1 ILE A 46 35.906 28.150 24.694 1.00 0.00 C ATOM 0 H ILE A 46 33.896 25.169 22.358 1.00 0.00 H new ATOM 0 HA ILE A 46 33.595 27.874 22.971 1.00 0.00 H new ATOM 0 HB ILE A 46 35.762 26.148 21.832 1.00 0.00 H new ATOM 0 HG12 ILE A 46 35.039 26.234 24.319 1.00 0.00 H new ATOM 0 HG13 ILE A 46 36.755 26.325 23.979 1.00 0.00 H new ATOM 0 HG21 ILE A 46 37.436 27.948 21.979 1.00 0.00 H new ATOM 0 HG22 ILE A 46 36.225 28.223 20.703 1.00 0.00 H new ATOM 0 HG23 ILE A 46 36.125 29.124 22.234 1.00 0.00 H new ATOM 0 HD11 ILE A 46 36.125 27.909 25.734 1.00 0.00 H new ATOM 0 HD12 ILE A 46 36.701 28.777 24.292 1.00 0.00 H new ATOM 0 HD13 ILE A 46 34.958 28.685 24.638 1.00 0.00 H new ATOM 774 N LYS A 47 33.731 27.380 19.691 1.00 0.00 N ATOM 775 CA LYS A 47 33.553 28.046 18.385 1.00 0.00 C ATOM 776 C LYS A 47 32.141 28.626 18.238 1.00 0.00 C ATOM 777 O LYS A 47 31.977 29.708 17.688 1.00 0.00 O ATOM 778 CB LYS A 47 33.936 27.062 17.264 1.00 0.00 C ATOM 779 CG LYS A 47 33.880 27.677 15.854 1.00 0.00 C ATOM 780 CD LYS A 47 34.474 26.728 14.796 1.00 0.00 C ATOM 781 CE LYS A 47 36.011 26.762 14.749 1.00 0.00 C ATOM 782 NZ LYS A 47 36.542 27.825 13.855 1.00 0.00 N1+ ATOM 0 H LYS A 47 33.877 26.373 19.620 1.00 0.00 H new ATOM 0 HA LYS A 47 34.219 28.906 18.312 1.00 0.00 H new ATOM 0 HB2 LYS A 47 34.944 26.690 17.448 1.00 0.00 H new ATOM 0 HB3 LYS A 47 33.267 26.203 17.303 1.00 0.00 H new ATOM 0 HG2 LYS A 47 32.846 27.907 15.598 1.00 0.00 H new ATOM 0 HG3 LYS A 47 34.427 28.620 15.846 1.00 0.00 H new ATOM 0 HD2 LYS A 47 34.145 25.710 15.005 1.00 0.00 H new ATOM 0 HD3 LYS A 47 34.081 26.995 13.815 1.00 0.00 H new ATOM 0 HE2 LYS A 47 36.396 26.917 15.757 1.00 0.00 H new ATOM 0 HE3 LYS A 47 36.380 25.793 14.412 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 37.582 27.799 13.864 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 36.200 27.666 12.886 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 36.216 28.754 14.189 1.00 0.00 H new ATOM 796 N LYS A 48 31.142 27.957 18.815 1.00 0.00 N ATOM 797 CA LYS A 48 29.759 28.446 18.940 1.00 0.00 C ATOM 798 C LYS A 48 29.615 29.584 19.961 1.00 0.00 C ATOM 799 O LYS A 48 28.886 30.541 19.713 1.00 0.00 O ATOM 800 CB LYS A 48 28.874 27.242 19.288 1.00 0.00 C ATOM 801 CG LYS A 48 28.679 26.352 18.058 1.00 0.00 C ATOM 802 CD LYS A 48 27.762 25.171 18.392 1.00 0.00 C ATOM 803 CE LYS A 48 27.779 24.156 17.252 1.00 0.00 C ATOM 804 NZ LYS A 48 27.155 24.684 16.019 1.00 0.00 N1+ ATOM 0 H LYS A 48 31.272 27.031 19.222 1.00 0.00 H new ATOM 0 HA LYS A 48 29.444 28.887 17.994 1.00 0.00 H new ATOM 0 HB2 LYS A 48 29.331 26.666 20.093 1.00 0.00 H new ATOM 0 HB3 LYS A 48 27.906 27.587 19.653 1.00 0.00 H new ATOM 0 HG2 LYS A 48 28.249 26.935 17.244 1.00 0.00 H new ATOM 0 HG3 LYS A 48 29.645 25.984 17.711 1.00 0.00 H new ATOM 0 HD2 LYS A 48 28.089 24.696 19.317 1.00 0.00 H new ATOM 0 HD3 LYS A 48 26.745 25.526 18.558 1.00 0.00 H new ATOM 0 HE2 LYS A 48 28.809 23.868 17.040 1.00 0.00 H new ATOM 0 HE3 LYS A 48 27.254 23.254 17.564 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 27.175 23.953 15.279 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 26.169 24.951 16.216 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 27.681 25.520 15.694 1.00 0.00 H new ATOM 818 N PHE A 49 30.347 29.550 21.078 1.00 0.00 N ATOM 819 CA PHE A 49 30.365 30.658 22.050 1.00 0.00 C ATOM 820 C PHE A 49 30.991 31.967 21.539 1.00 0.00 C ATOM 821 O PHE A 49 30.715 33.015 22.134 1.00 0.00 O ATOM 822 CB PHE A 49 31.023 30.205 23.358 1.00 0.00 C ATOM 823 CG PHE A 49 30.235 29.244 24.238 1.00 0.00 C ATOM 824 CD1 PHE A 49 28.882 28.918 23.994 1.00 0.00 C ATOM 825 CD2 PHE A 49 30.869 28.716 25.376 1.00 0.00 C ATOM 826 CE1 PHE A 49 28.180 28.066 24.863 1.00 0.00 C ATOM 827 CE2 PHE A 49 30.158 27.887 26.258 1.00 0.00 C ATOM 828 CZ PHE A 49 28.819 27.556 26.001 1.00 0.00 C ATOM 0 H PHE A 49 30.941 28.762 21.337 1.00 0.00 H new ATOM 0 HA PHE A 49 29.319 30.907 22.225 1.00 0.00 H new ATOM 0 HB2 PHE A 49 31.975 29.734 23.112 1.00 0.00 H new ATOM 0 HB3 PHE A 49 31.250 31.094 23.947 1.00 0.00 H new ATOM 0 HD1 PHE A 49 28.382 29.329 23.129 1.00 0.00 H new ATOM 0 HD2 PHE A 49 31.905 28.949 25.572 1.00 0.00 H new ATOM 0 HE1 PHE A 49 27.153 27.805 24.655 1.00 0.00 H new ATOM 0 HE2 PHE A 49 30.645 27.501 27.141 1.00 0.00 H new ATOM 0 HZ PHE A 49 28.282 26.909 26.679 1.00 0.00 H new ATOM 838 N LEU A 50 31.731 31.937 20.423 1.00 0.00 N ATOM 839 CA LEU A 50 32.116 33.138 19.669 1.00 0.00 C ATOM 840 C LEU A 50 30.877 33.913 19.189 1.00 0.00 C ATOM 841 O LEU A 50 30.791 35.131 19.364 1.00 0.00 O ATOM 842 CB LEU A 50 33.010 32.769 18.470 1.00 0.00 C ATOM 843 CG LEU A 50 34.245 31.906 18.803 1.00 0.00 C ATOM 844 CD1 LEU A 50 35.076 31.673 17.549 1.00 0.00 C ATOM 845 CD2 LEU A 50 35.181 32.551 19.818 1.00 0.00 C ATOM 0 H LEU A 50 32.082 31.071 20.014 1.00 0.00 H new ATOM 0 HA LEU A 50 32.683 33.782 20.341 1.00 0.00 H new ATOM 0 HB2 LEU A 50 32.404 32.237 17.737 1.00 0.00 H new ATOM 0 HB3 LEU A 50 33.349 33.690 17.995 1.00 0.00 H new ATOM 0 HG LEU A 50 33.844 30.982 19.219 1.00 0.00 H new ATOM 0 HD11 LEU A 50 35.945 31.063 17.796 1.00 0.00 H new ATOM 0 HD12 LEU A 50 34.472 31.158 16.802 1.00 0.00 H new ATOM 0 HD13 LEU A 50 35.408 32.631 17.149 1.00 0.00 H new ATOM 0 HD21 LEU A 50 36.027 31.889 20.005 1.00 0.00 H new ATOM 0 HD22 LEU A 50 35.543 33.501 19.426 1.00 0.00 H new ATOM 0 HD23 LEU A 50 34.643 32.724 20.750 1.00 0.00 H new ATOM 857 N GLU A 51 29.886 33.199 18.641 1.00 0.00 N ATOM 858 CA GLU A 51 28.618 33.781 18.182 1.00 0.00 C ATOM 859 C GLU A 51 27.750 34.252 19.359 1.00 0.00 C ATOM 860 O GLU A 51 27.129 35.314 19.286 1.00 0.00 O ATOM 861 CB GLU A 51 27.818 32.778 17.329 1.00 0.00 C ATOM 862 CG GLU A 51 28.622 32.176 16.164 1.00 0.00 C ATOM 863 CD GLU A 51 27.732 31.537 15.086 1.00 0.00 C ATOM 864 OE1 GLU A 51 28.185 31.412 13.927 1.00 0.00 O ATOM 865 OE2 GLU A 51 26.556 31.188 15.348 1.00 0.00 O ATOM 0 H GLU A 51 29.942 32.190 18.502 1.00 0.00 H new ATOM 0 HA GLU A 51 28.876 34.645 17.570 1.00 0.00 H new ATOM 0 HB2 GLU A 51 27.465 31.970 17.970 1.00 0.00 H new ATOM 0 HB3 GLU A 51 26.935 33.277 16.930 1.00 0.00 H new ATOM 0 HG2 GLU A 51 29.231 32.957 15.708 1.00 0.00 H new ATOM 0 HG3 GLU A 51 29.308 31.424 16.554 1.00 0.00 H new ATOM 872 N LEU A 52 27.756 33.508 20.476 1.00 0.00 N ATOM 873 CA LEU A 52 27.044 33.897 21.705 1.00 0.00 C ATOM 874 C LEU A 52 27.631 35.137 22.399 1.00 0.00 C ATOM 875 O LEU A 52 27.008 35.654 23.318 1.00 0.00 O ATOM 876 CB LEU A 52 26.925 32.725 22.707 1.00 0.00 C ATOM 877 CG LEU A 52 26.237 31.451 22.170 1.00 0.00 C ATOM 878 CD1 LEU A 52 25.759 30.597 23.346 1.00 0.00 C ATOM 879 CD2 LEU A 52 24.996 31.708 21.307 1.00 0.00 C ATOM 0 H LEU A 52 28.254 32.621 20.553 1.00 0.00 H new ATOM 0 HA LEU A 52 26.044 34.170 21.369 1.00 0.00 H new ATOM 0 HB2 LEU A 52 27.926 32.459 23.047 1.00 0.00 H new ATOM 0 HB3 LEU A 52 26.373 33.073 23.580 1.00 0.00 H new ATOM 0 HG LEU A 52 26.992 30.966 21.552 1.00 0.00 H new ATOM 0 HD11 LEU A 52 25.273 29.697 22.968 1.00 0.00 H new ATOM 0 HD12 LEU A 52 26.613 30.317 23.963 1.00 0.00 H new ATOM 0 HD13 LEU A 52 25.050 31.168 23.946 1.00 0.00 H new ATOM 0 HD21 LEU A 52 24.580 30.757 20.975 1.00 0.00 H new ATOM 0 HD22 LEU A 52 24.250 32.245 21.893 1.00 0.00 H new ATOM 0 HD23 LEU A 52 25.274 32.305 20.439 1.00 0.00 H new ATOM 891 N GLN A 53 28.797 35.639 21.968 1.00 0.00 N ATOM 892 CA GLN A 53 29.532 36.736 22.621 1.00 0.00 C ATOM 893 C GLN A 53 29.956 36.379 24.060 1.00 0.00 C ATOM 894 O GLN A 53 30.065 37.261 24.917 1.00 0.00 O ATOM 895 CB GLN A 53 28.728 38.057 22.651 1.00 0.00 C ATOM 896 CG GLN A 53 27.826 38.368 21.446 1.00 0.00 C ATOM 897 CD GLN A 53 26.789 39.420 21.825 1.00 0.00 C ATOM 898 OE1 GLN A 53 27.115 40.510 22.285 1.00 0.00 O ATOM 899 NE2 GLN A 53 25.517 39.146 21.638 1.00 0.00 N ATOM 0 H GLN A 53 29.268 35.286 21.135 1.00 0.00 H new ATOM 0 HA GLN A 53 30.423 36.882 22.011 1.00 0.00 H new ATOM 0 HB2 GLN A 53 28.104 38.051 23.545 1.00 0.00 H new ATOM 0 HB3 GLN A 53 29.436 38.879 22.762 1.00 0.00 H new ATOM 0 HG2 GLN A 53 28.430 38.726 20.612 1.00 0.00 H new ATOM 0 HG3 GLN A 53 27.327 37.459 21.111 1.00 0.00 H new ATOM 0 HE21 GLN A 53 25.241 38.241 21.256 1.00 0.00 H new ATOM 0 HE22 GLN A 53 24.806 39.838 21.875 1.00 0.00 H new ATOM 908 N TYR A 54 30.158 35.092 24.355 1.00 0.00 N ATOM 909 CA TYR A 54 30.433 34.603 25.713 1.00 0.00 C ATOM 910 C TYR A 54 31.906 34.228 25.872 1.00 0.00 C ATOM 911 O TYR A 54 32.456 34.347 26.962 1.00 0.00 O ATOM 912 CB TYR A 54 29.532 33.418 26.080 1.00 0.00 C ATOM 913 CG TYR A 54 28.032 33.672 26.137 1.00 0.00 C ATOM 914 CD1 TYR A 54 27.512 34.981 26.177 1.00 0.00 C ATOM 915 CD2 TYR A 54 27.150 32.573 26.163 1.00 0.00 C ATOM 916 CE1 TYR A 54 26.128 35.202 26.227 1.00 0.00 C ATOM 917 CE2 TYR A 54 25.756 32.790 26.238 1.00 0.00 C ATOM 918 CZ TYR A 54 25.243 34.108 26.249 1.00 0.00 C ATOM 919 OH TYR A 54 23.901 34.335 26.211 1.00 0.00 O ATOM 0 H TYR A 54 30.136 34.352 23.653 1.00 0.00 H new ATOM 0 HA TYR A 54 30.209 35.417 26.403 1.00 0.00 H new ATOM 0 HB2 TYR A 54 29.712 32.621 25.358 1.00 0.00 H new ATOM 0 HB3 TYR A 54 29.848 33.043 27.054 1.00 0.00 H new ATOM 0 HD1 TYR A 54 28.187 35.824 26.169 1.00 0.00 H new ATOM 0 HD2 TYR A 54 27.539 31.566 26.126 1.00 0.00 H new ATOM 0 HE1 TYR A 54 25.742 36.210 26.249 1.00 0.00 H new ATOM 0 HE2 TYR A 54 25.081 31.948 26.287 1.00 0.00 H new ATOM 0 HH TYR A 54 23.424 33.479 26.232 1.00 0.00 H new ATOM 929 N VAL A 55 32.550 33.802 24.787 1.00 0.00 N ATOM 930 CA VAL A 55 33.991 33.544 24.718 1.00 0.00 C ATOM 931 C VAL A 55 34.507 34.114 23.396 1.00 0.00 C ATOM 932 O VAL A 55 33.735 34.285 22.455 1.00 0.00 O ATOM 933 CB VAL A 55 34.314 32.038 24.827 1.00 0.00 C ATOM 934 CG1 VAL A 55 35.794 31.705 24.640 1.00 0.00 C ATOM 935 CG2 VAL A 55 33.964 31.401 26.178 1.00 0.00 C ATOM 0 H VAL A 55 32.071 33.621 23.905 1.00 0.00 H new ATOM 0 HA VAL A 55 34.484 34.026 25.562 1.00 0.00 H new ATOM 0 HB VAL A 55 33.694 31.639 24.024 1.00 0.00 H new ATOM 0 HG11 VAL A 55 35.939 30.629 24.731 1.00 0.00 H new ATOM 0 HG12 VAL A 55 36.119 32.033 23.653 1.00 0.00 H new ATOM 0 HG13 VAL A 55 36.381 32.216 25.403 1.00 0.00 H new ATOM 0 HG21 VAL A 55 34.226 30.343 26.160 1.00 0.00 H new ATOM 0 HG22 VAL A 55 34.522 31.900 26.971 1.00 0.00 H new ATOM 0 HG23 VAL A 55 32.895 31.507 26.364 1.00 0.00 H new ATOM 945 N LYS A 56 35.806 34.380 23.312 1.00 0.00 N ATOM 946 CA LYS A 56 36.519 34.910 22.136 1.00 0.00 C ATOM 947 C LYS A 56 37.967 34.420 22.102 1.00 0.00 C ATOM 948 O LYS A 56 38.556 34.181 23.150 1.00 0.00 O ATOM 949 CB LYS A 56 36.451 36.449 22.125 1.00 0.00 C ATOM 950 CG LYS A 56 35.677 37.029 20.932 1.00 0.00 C ATOM 951 CD LYS A 56 36.248 38.351 20.382 1.00 0.00 C ATOM 952 CE LYS A 56 35.448 38.864 19.179 1.00 0.00 C ATOM 953 NZ LYS A 56 35.983 40.148 18.667 1.00 0.00 N1+ ATOM 0 H LYS A 56 36.432 34.226 24.102 1.00 0.00 H new ATOM 0 HA LYS A 56 36.029 34.537 21.237 1.00 0.00 H new ATOM 0 HB2 LYS A 56 35.983 36.789 23.049 1.00 0.00 H new ATOM 0 HB3 LYS A 56 37.465 36.848 22.116 1.00 0.00 H new ATOM 0 HG2 LYS A 56 35.665 36.291 20.130 1.00 0.00 H new ATOM 0 HG3 LYS A 56 34.642 37.192 21.231 1.00 0.00 H new ATOM 0 HD2 LYS A 56 36.242 39.104 21.170 1.00 0.00 H new ATOM 0 HD3 LYS A 56 37.288 38.204 20.090 1.00 0.00 H new ATOM 0 HE2 LYS A 56 35.470 38.119 18.384 1.00 0.00 H new ATOM 0 HE3 LYS A 56 34.404 38.994 19.466 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 35.415 40.461 17.854 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 35.939 40.866 19.418 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 36.971 40.018 18.370 1.00 0.00 H new ATOM 967 N GLU A 57 38.536 34.306 20.904 1.00 0.00 N ATOM 968 CA GLU A 57 39.924 33.876 20.739 1.00 0.00 C ATOM 969 C GLU A 57 40.903 34.960 21.211 1.00 0.00 C ATOM 970 O GLU A 57 40.609 36.150 21.102 1.00 0.00 O ATOM 971 CB GLU A 57 40.200 33.533 19.274 1.00 0.00 C ATOM 972 CG GLU A 57 40.102 34.722 18.333 1.00 0.00 C ATOM 973 CD GLU A 57 40.375 34.346 16.890 1.00 0.00 C ATOM 974 OE1 GLU A 57 40.357 35.248 16.026 1.00 0.00 O ATOM 975 OE2 GLU A 57 40.608 33.149 16.619 1.00 0.00 O ATOM 0 H GLU A 57 38.054 34.507 20.028 1.00 0.00 H new ATOM 0 HA GLU A 57 40.074 32.988 21.354 1.00 0.00 H new ATOM 0 HB2 GLU A 57 41.197 33.101 19.194 1.00 0.00 H new ATOM 0 HB3 GLU A 57 39.494 32.768 18.951 1.00 0.00 H new ATOM 0 HG2 GLU A 57 39.107 35.160 18.409 1.00 0.00 H new ATOM 0 HG3 GLU A 57 40.812 35.488 18.646 1.00 0.00 H new ATOM 1076 N LYS A 65 47.365 29.225 20.485 1.00 0.00 N ATOM 1077 CA LYS A 65 45.973 29.712 20.455 1.00 0.00 C ATOM 1078 C LYS A 65 45.240 29.506 21.788 1.00 0.00 C ATOM 1079 O LYS A 65 45.406 28.487 22.462 1.00 0.00 O ATOM 1080 CB LYS A 65 45.183 29.141 19.263 1.00 0.00 C ATOM 1081 CG LYS A 65 44.899 27.630 19.368 1.00 0.00 C ATOM 1082 CD LYS A 65 43.885 27.106 18.332 1.00 0.00 C ATOM 1083 CE LYS A 65 44.411 26.875 16.906 1.00 0.00 C ATOM 1084 NZ LYS A 65 43.407 26.281 15.998 1.00 0.00 N1+ ATOM 0 HA LYS A 65 46.033 30.790 20.307 1.00 0.00 H new ATOM 0 HB2 LYS A 65 44.236 29.674 19.179 1.00 0.00 H new ATOM 0 HB3 LYS A 65 45.739 29.333 18.346 1.00 0.00 H new ATOM 0 HG2 LYS A 65 45.836 27.086 19.250 1.00 0.00 H new ATOM 0 HG3 LYS A 65 44.526 27.410 20.368 1.00 0.00 H new ATOM 0 HD2 LYS A 65 43.477 26.165 18.701 1.00 0.00 H new ATOM 0 HD3 LYS A 65 43.057 27.813 18.279 1.00 0.00 H new ATOM 0 HE2 LYS A 65 44.746 27.826 16.492 1.00 0.00 H new ATOM 0 HE3 LYS A 65 45.282 26.221 16.950 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 43.825 26.152 15.055 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 43.104 25.359 16.371 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 42.585 26.914 15.928 1.00 0.00 H new ATOM 1098 N THR A 66 44.400 30.471 22.151 1.00 0.00 N ATOM 1099 CA THR A 66 43.755 30.525 23.469 1.00 0.00 C ATOM 1100 C THR A 66 42.482 31.378 23.415 1.00 0.00 C ATOM 1101 O THR A 66 42.318 32.195 22.506 1.00 0.00 O ATOM 1102 CB THR A 66 44.787 30.964 24.515 1.00 0.00 C ATOM 1103 OG1 THR A 66 44.206 30.905 25.783 1.00 0.00 O ATOM 1104 CG2 THR A 66 45.346 32.375 24.321 1.00 0.00 C ATOM 0 H THR A 66 44.143 31.245 21.538 1.00 0.00 H new ATOM 0 HA THR A 66 43.410 29.538 23.776 1.00 0.00 H new ATOM 0 HB THR A 66 45.625 30.277 24.400 1.00 0.00 H new ATOM 0 HG1 THR A 66 44.898 31.026 26.466 1.00 0.00 H new ATOM 0 HG21 THR A 66 46.067 32.592 25.109 1.00 0.00 H new ATOM 0 HG22 THR A 66 45.838 32.441 23.351 1.00 0.00 H new ATOM 0 HG23 THR A 66 44.532 33.098 24.364 1.00 0.00 H new ATOM 1112 N PHE A 67 41.571 31.169 24.368 1.00 0.00 N ATOM 1113 CA PHE A 67 40.186 31.662 24.333 1.00 0.00 C ATOM 1114 C PHE A 67 39.780 32.235 25.704 1.00 0.00 C ATOM 1115 O PHE A 67 39.880 31.538 26.711 1.00 0.00 O ATOM 1116 CB PHE A 67 39.209 30.569 23.845 1.00 0.00 C ATOM 1117 CG PHE A 67 39.570 29.932 22.507 1.00 0.00 C ATOM 1118 CD1 PHE A 67 40.536 28.905 22.469 1.00 0.00 C ATOM 1119 CD2 PHE A 67 38.969 30.359 21.303 1.00 0.00 C ATOM 1120 CE1 PHE A 67 40.956 28.366 21.241 1.00 0.00 C ATOM 1121 CE2 PHE A 67 39.358 29.782 20.080 1.00 0.00 C ATOM 1122 CZ PHE A 67 40.375 28.814 20.044 1.00 0.00 C ATOM 0 H PHE A 67 41.780 30.636 25.212 1.00 0.00 H new ATOM 0 HA PHE A 67 40.130 32.475 23.609 1.00 0.00 H new ATOM 0 HB2 PHE A 67 39.157 29.786 24.601 1.00 0.00 H new ATOM 0 HB3 PHE A 67 38.212 31.003 23.767 1.00 0.00 H new ATOM 0 HD1 PHE A 67 40.956 28.530 23.391 1.00 0.00 H new ATOM 0 HD2 PHE A 67 38.211 31.128 21.321 1.00 0.00 H new ATOM 0 HE1 PHE A 67 41.725 27.608 21.218 1.00 0.00 H new ATOM 0 HE2 PHE A 67 38.872 30.085 19.164 1.00 0.00 H new ATOM 0 HZ PHE A 67 40.709 28.415 19.098 1.00 0.00 H new ATOM 1132 N TYR A 68 39.340 33.496 25.756 1.00 0.00 N ATOM 1133 CA TYR A 68 38.961 34.218 26.980 1.00 0.00 C ATOM 1134 C TYR A 68 37.463 34.525 27.042 1.00 0.00 C ATOM 1135 O TYR A 68 36.775 34.545 26.025 1.00 0.00 O ATOM 1136 CB TYR A 68 39.759 35.521 27.106 1.00 0.00 C ATOM 1137 CG TYR A 68 39.414 36.592 26.082 1.00 0.00 C ATOM 1138 CD1 TYR A 68 38.366 37.505 26.324 1.00 0.00 C ATOM 1139 CD2 TYR A 68 40.167 36.687 24.895 1.00 0.00 C ATOM 1140 CE1 TYR A 68 38.128 38.555 25.414 1.00 0.00 C ATOM 1141 CE2 TYR A 68 39.897 37.709 23.964 1.00 0.00 C ATOM 1142 CZ TYR A 68 38.890 38.661 24.233 1.00 0.00 C ATOM 1143 OH TYR A 68 38.660 39.681 23.365 1.00 0.00 O ATOM 0 H TYR A 68 39.233 34.065 24.917 1.00 0.00 H new ATOM 0 HA TYR A 68 39.197 33.559 27.816 1.00 0.00 H new ATOM 0 HB2 TYR A 68 39.601 35.930 28.104 1.00 0.00 H new ATOM 0 HB3 TYR A 68 40.820 35.288 27.021 1.00 0.00 H new ATOM 0 HD1 TYR A 68 37.748 37.400 27.204 1.00 0.00 H new ATOM 0 HD2 TYR A 68 40.954 35.974 24.698 1.00 0.00 H new ATOM 0 HE1 TYR A 68 37.357 39.282 25.623 1.00 0.00 H new ATOM 0 HE2 TYR A 68 40.460 37.764 23.044 1.00 0.00 H new ATOM 0 HH TYR A 68 39.272 39.607 22.604 1.00 0.00 H new ATOM 1153 N ILE A 69 36.963 34.788 28.251 1.00 0.00 N ATOM 1154 CA ILE A 69 35.549 35.054 28.522 1.00 0.00 C ATOM 1155 C ILE A 69 35.270 36.546 28.350 1.00 0.00 C ATOM 1156 O ILE A 69 35.858 37.379 29.043 1.00 0.00 O ATOM 1157 CB ILE A 69 35.126 34.585 29.932 1.00 0.00 C ATOM 1158 CG1 ILE A 69 35.705 33.220 30.365 1.00 0.00 C ATOM 1159 CG2 ILE A 69 33.591 34.489 29.968 1.00 0.00 C ATOM 1160 CD1 ILE A 69 37.197 33.253 30.733 1.00 0.00 C ATOM 0 H ILE A 69 37.544 34.823 29.089 1.00 0.00 H new ATOM 0 HA ILE A 69 34.957 34.483 27.807 1.00 0.00 H new ATOM 0 HB ILE A 69 35.526 35.321 30.629 1.00 0.00 H new ATOM 0 HG12 ILE A 69 35.140 32.854 31.222 1.00 0.00 H new ATOM 0 HG13 ILE A 69 35.558 32.503 29.557 1.00 0.00 H new ATOM 0 HG21 ILE A 69 33.270 34.159 30.956 1.00 0.00 H new ATOM 0 HG22 ILE A 69 33.160 35.467 29.755 1.00 0.00 H new ATOM 0 HG23 ILE A 69 33.254 33.773 29.219 1.00 0.00 H new ATOM 0 HD11 ILE A 69 37.522 32.254 31.025 1.00 0.00 H new ATOM 0 HD12 ILE A 69 37.777 33.586 29.872 1.00 0.00 H new ATOM 0 HD13 ILE A 69 37.352 33.942 31.563 1.00 0.00 H new ATOM 1172 N THR A 70 34.381 36.896 27.425 1.00 0.00 N ATOM 1173 CA THR A 70 33.988 38.277 27.145 1.00 0.00 C ATOM 1174 C THR A 70 32.909 38.779 28.120 1.00 0.00 C ATOM 1175 O THR A 70 32.060 37.998 28.570 1.00 0.00 O ATOM 1176 CB THR A 70 33.538 38.414 25.678 1.00 0.00 C ATOM 1177 OG1 THR A 70 32.452 37.572 25.365 1.00 0.00 O ATOM 1178 CG2 THR A 70 34.664 38.016 24.735 1.00 0.00 C ATOM 0 H THR A 70 33.903 36.215 26.836 1.00 0.00 H new ATOM 0 HA THR A 70 34.860 38.913 27.298 1.00 0.00 H new ATOM 0 HB THR A 70 33.250 39.458 25.556 1.00 0.00 H new ATOM 0 HG1 THR A 70 31.636 38.108 25.281 1.00 0.00 H new ATOM 0 HG21 THR A 70 34.328 38.119 23.703 1.00 0.00 H new ATOM 0 HG22 THR A 70 35.525 38.663 24.903 1.00 0.00 H new ATOM 0 HG23 THR A 70 34.947 36.980 24.923 1.00 0.00 H new ATOM 1186 N PRO A 71 32.878 40.090 28.440 1.00 0.00 N ATOM 1187 CA PRO A 71 31.979 40.666 29.450 1.00 0.00 C ATOM 1188 C PRO A 71 30.493 40.417 29.153 1.00 0.00 C ATOM 1189 O PRO A 71 29.713 40.158 30.068 1.00 0.00 O ATOM 1190 CB PRO A 71 32.305 42.164 29.487 1.00 0.00 C ATOM 1191 CG PRO A 71 32.869 42.418 28.091 1.00 0.00 C ATOM 1192 CD PRO A 71 33.674 41.150 27.836 1.00 0.00 C ATOM 0 HA PRO A 71 32.141 40.189 30.417 1.00 0.00 H new ATOM 0 HB2 PRO A 71 31.418 42.767 29.681 1.00 0.00 H new ATOM 0 HB3 PRO A 71 33.029 42.402 30.266 1.00 0.00 H new ATOM 0 HG2 PRO A 71 32.080 42.555 27.352 1.00 0.00 H new ATOM 0 HG3 PRO A 71 33.494 43.311 28.060 1.00 0.00 H new ATOM 0 HD2 PRO A 71 33.820 40.979 26.769 1.00 0.00 H new ATOM 0 HD3 PRO A 71 34.664 41.210 28.287 1.00 0.00 H new ATOM 1200 N ASN A 72 30.112 40.395 27.871 1.00 0.00 N ATOM 1201 CA ASN A 72 28.738 40.157 27.424 1.00 0.00 C ATOM 1202 C ASN A 72 28.207 38.761 27.837 1.00 0.00 C ATOM 1203 O ASN A 72 26.997 38.568 27.944 1.00 0.00 O ATOM 1204 CB ASN A 72 28.650 40.366 25.896 1.00 0.00 C ATOM 1205 CG ASN A 72 29.005 41.773 25.414 1.00 0.00 C ATOM 1206 OD1 ASN A 72 29.737 42.527 26.044 1.00 0.00 O ATOM 1207 ND2 ASN A 72 28.520 42.179 24.265 1.00 0.00 N ATOM 0 H ASN A 72 30.764 40.545 27.101 1.00 0.00 H new ATOM 0 HA ASN A 72 28.093 40.879 27.924 1.00 0.00 H new ATOM 0 HB2 ASN A 72 29.314 39.653 25.408 1.00 0.00 H new ATOM 0 HB3 ASN A 72 27.637 40.132 25.570 1.00 0.00 H new ATOM 0 HD21 ASN A 72 28.754 43.107 23.912 1.00 0.00 H new ATOM 0 HD22 ASN A 72 27.909 41.567 23.725 1.00 0.00 H new ATOM 1214 N GLY A 73 29.097 37.793 28.100 1.00 0.00 N ATOM 1215 CA GLY A 73 28.747 36.514 28.727 1.00 0.00 C ATOM 1216 C GLY A 73 28.878 36.509 30.245 1.00 0.00 C ATOM 1217 O GLY A 73 28.063 35.870 30.906 1.00 0.00 O ATOM 0 H GLY A 73 30.089 37.879 27.880 1.00 0.00 H new ATOM 0 HA2 GLY A 73 27.721 36.260 28.461 1.00 0.00 H new ATOM 0 HA3 GLY A 73 29.386 35.733 28.315 1.00 0.00 H new ATOM 1221 N ILE A 74 29.825 37.260 30.819 1.00 0.00 N ATOM 1222 CA ILE A 74 29.966 37.419 32.278 1.00 0.00 C ATOM 1223 C ILE A 74 28.682 37.970 32.915 1.00 0.00 C ATOM 1224 O ILE A 74 28.339 37.540 34.016 1.00 0.00 O ATOM 1225 CB ILE A 74 31.215 38.266 32.613 1.00 0.00 C ATOM 1226 CG1 ILE A 74 32.452 37.377 32.378 1.00 0.00 C ATOM 1227 CG2 ILE A 74 31.232 38.799 34.060 1.00 0.00 C ATOM 1228 CD1 ILE A 74 33.757 38.143 32.172 1.00 0.00 C ATOM 0 H ILE A 74 30.521 37.779 30.284 1.00 0.00 H new ATOM 0 HA ILE A 74 30.119 36.434 32.719 1.00 0.00 H new ATOM 0 HB ILE A 74 31.209 39.146 31.970 1.00 0.00 H new ATOM 0 HG12 ILE A 74 32.570 36.708 33.231 1.00 0.00 H new ATOM 0 HG13 ILE A 74 32.272 36.751 31.504 1.00 0.00 H new ATOM 0 HG21 ILE A 74 32.138 39.384 34.222 1.00 0.00 H new ATOM 0 HG22 ILE A 74 30.358 39.430 34.226 1.00 0.00 H new ATOM 0 HG23 ILE A 74 31.212 37.961 34.757 1.00 0.00 H new ATOM 0 HD11 ILE A 74 34.572 37.437 32.014 1.00 0.00 H new ATOM 0 HD12 ILE A 74 33.665 38.791 31.301 1.00 0.00 H new ATOM 0 HD13 ILE A 74 33.967 38.748 33.054 1.00 0.00 H new ATOM 1240 N GLU A 75 27.922 38.812 32.204 1.00 0.00 N ATOM 1241 CA GLU A 75 26.560 39.222 32.591 1.00 0.00 C ATOM 1242 C GLU A 75 25.639 38.032 32.900 1.00 0.00 C ATOM 1243 O GLU A 75 24.910 38.048 33.890 1.00 0.00 O ATOM 1244 CB GLU A 75 25.911 40.045 31.469 1.00 0.00 C ATOM 1245 CG GLU A 75 26.555 41.427 31.290 1.00 0.00 C ATOM 1246 CD GLU A 75 25.498 42.493 30.974 1.00 0.00 C ATOM 1247 OE1 GLU A 75 25.297 43.414 31.800 1.00 0.00 O ATOM 1248 OE2 GLU A 75 24.868 42.433 29.895 1.00 0.00 O ATOM 0 H GLU A 75 28.237 39.235 31.331 1.00 0.00 H new ATOM 0 HA GLU A 75 26.673 39.814 33.499 1.00 0.00 H new ATOM 0 HB2 GLU A 75 25.983 39.492 30.532 1.00 0.00 H new ATOM 0 HB3 GLU A 75 24.850 40.170 31.685 1.00 0.00 H new ATOM 0 HG2 GLU A 75 27.092 41.701 32.198 1.00 0.00 H new ATOM 0 HG3 GLU A 75 27.289 41.388 30.485 1.00 0.00 H new ATOM 1255 N LYS A 76 25.697 36.967 32.091 1.00 0.00 N ATOM 1256 CA LYS A 76 24.885 35.756 32.289 1.00 0.00 C ATOM 1257 C LYS A 76 25.350 34.963 33.514 1.00 0.00 C ATOM 1258 O LYS A 76 24.539 34.332 34.187 1.00 0.00 O ATOM 1259 CB LYS A 76 24.908 34.877 31.020 1.00 0.00 C ATOM 1260 CG LYS A 76 24.681 35.604 29.677 1.00 0.00 C ATOM 1261 CD LYS A 76 23.554 36.644 29.712 1.00 0.00 C ATOM 1262 CE LYS A 76 22.958 36.974 28.338 1.00 0.00 C ATOM 1263 NZ LYS A 76 21.899 36.009 27.958 1.00 0.00 N1+ ATOM 0 H LYS A 76 26.310 36.919 31.277 1.00 0.00 H new ATOM 0 HA LYS A 76 23.857 36.068 32.474 1.00 0.00 H new ATOM 0 HB2 LYS A 76 25.871 34.368 30.974 1.00 0.00 H new ATOM 0 HB3 LYS A 76 24.144 34.106 31.124 1.00 0.00 H new ATOM 0 HG2 LYS A 76 25.607 36.097 29.382 1.00 0.00 H new ATOM 0 HG3 LYS A 76 24.455 34.864 28.909 1.00 0.00 H new ATOM 0 HD2 LYS A 76 22.759 36.279 30.362 1.00 0.00 H new ATOM 0 HD3 LYS A 76 23.936 37.562 30.160 1.00 0.00 H new ATOM 0 HE2 LYS A 76 22.544 37.982 28.353 1.00 0.00 H new ATOM 0 HE3 LYS A 76 23.747 36.964 27.586 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 21.148 36.505 27.437 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 22.306 35.266 27.354 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 21.499 35.577 28.815 1.00 0.00 H new ATOM 1277 N LEU A 77 26.641 35.050 33.847 1.00 0.00 N ATOM 1278 CA LEU A 77 27.238 34.386 35.008 1.00 0.00 C ATOM 1279 C LEU A 77 26.792 35.012 36.345 1.00 0.00 C ATOM 1280 O LEU A 77 26.757 34.320 37.360 1.00 0.00 O ATOM 1281 CB LEU A 77 28.772 34.349 34.891 1.00 0.00 C ATOM 1282 CG LEU A 77 29.324 33.936 33.514 1.00 0.00 C ATOM 1283 CD1 LEU A 77 30.849 33.915 33.544 1.00 0.00 C ATOM 1284 CD2 LEU A 77 28.843 32.594 32.973 1.00 0.00 C ATOM 0 H LEU A 77 27.313 35.595 33.306 1.00 0.00 H new ATOM 0 HA LEU A 77 26.870 33.360 35.010 1.00 0.00 H new ATOM 0 HB2 LEU A 77 29.161 35.337 35.137 1.00 0.00 H new ATOM 0 HB3 LEU A 77 29.159 33.658 35.640 1.00 0.00 H new ATOM 0 HG LEU A 77 28.929 34.694 32.837 1.00 0.00 H new ATOM 0 HD11 LEU A 77 31.228 33.622 32.565 1.00 0.00 H new ATOM 0 HD12 LEU A 77 31.222 34.908 33.795 1.00 0.00 H new ATOM 0 HD13 LEU A 77 31.188 33.200 34.294 1.00 0.00 H new ATOM 0 HD21 LEU A 77 29.297 32.410 31.999 1.00 0.00 H new ATOM 0 HD22 LEU A 77 29.129 31.800 33.663 1.00 0.00 H new ATOM 0 HD23 LEU A 77 27.758 32.611 32.870 1.00 0.00 H new