USER MOD reduce.3.24.130724 H: found=0, std=0, add=596, rem=0, adj=25 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= 0.993 USER MOD Set 1.2: A 76 LYS NZ :NH3+ 139:sc= 1.16 (180deg=-0.0479) USER MOD Set 2.1: A 25 SER OG : rot -160:sc= 0 USER MOD Set 2.2: A 66 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: A 38 SER OG : rot 180:sc= 0 USER MOD Set 3.2: A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 4 ASN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 5 LYS NZ :NH3+ 167:sc= -0.0354 (180deg=-0.233) USER MOD Single : A 6 ASN : amide:sc= -0.127 K(o=-0.13,f=-1.5!) USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ -174:sc=-0.000877 (180deg=-0.0613) USER MOD Single : A 13 MET CE :methyl 141:sc= -0.0289 (180deg=-1.03) USER MOD Single : A 15 LYS NZ :NH3+ -167:sc= 1.25 (180deg=1.22) USER MOD Single : A 17 ASN : amide:sc= -1.84 K(o=-1.8,f=-2.7!) USER MOD Single : A 18 GLN : amide:sc= 0 K(o=0,f=-0.88) USER MOD Single : A 19 CYS SG : rot 180:sc= 0 USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 THR OG1 : rot 170:sc= -0.166 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 TYR OH : rot 114:sc= 1.36 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 CYS SG : rot 47:sc= 0.0986 USER MOD Single : A 33 ASN : amide:sc= -0.252 X(o=-0.25,f=0) USER MOD Single : A 35 SER OG : rot 81:sc= 1.25 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ -161:sc= 0 (180deg=-0.0161) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 GLN :FLIP amide:sc= -0.0286 F(o=-1.6!,f=-0.029) 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 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot -134:sc= 1.25 USER MOD Single : A 72 ASN : amide:sc= -0.0269 X(o=-0.027,f=-0.097) USER MOD ----------------------------------------------------------------- ATOM 46 N ASN A 4 22.743 24.456 28.960 1.00 0.00 N ATOM 47 CA ASN A 4 23.182 23.138 28.532 1.00 0.00 C ATOM 48 C ASN A 4 24.304 22.566 29.402 1.00 0.00 C ATOM 49 O ASN A 4 25.360 23.186 29.530 1.00 0.00 O ATOM 50 CB ASN A 4 23.780 23.203 27.126 1.00 0.00 C ATOM 51 CG ASN A 4 22.734 23.448 26.057 1.00 0.00 C ATOM 52 OD1 ASN A 4 21.552 23.163 26.252 1.00 0.00 O ATOM 53 ND2 ASN A 4 23.164 23.979 24.918 1.00 0.00 N ATOM 0 HA ASN A 4 22.290 22.514 28.593 1.00 0.00 H new ATOM 0 HB2 ASN A 4 24.525 23.998 27.089 1.00 0.00 H new ATOM 0 HB3 ASN A 4 24.300 22.269 26.913 1.00 0.00 H new ATOM 0 HD21 ASN A 4 22.505 24.166 24.162 1.00 0.00 H new ATOM 0 HD22 ASN A 4 24.153 24.200 24.799 1.00 0.00 H new ATOM 60 N LYS A 5 24.097 21.391 29.976 1.00 0.00 N ATOM 61 CA LYS A 5 25.096 20.772 30.844 1.00 0.00 C ATOM 62 C LYS A 5 26.281 20.193 30.070 1.00 0.00 C ATOM 63 O LYS A 5 27.276 19.775 30.663 1.00 0.00 O ATOM 64 CB LYS A 5 24.449 19.670 31.685 1.00 0.00 C ATOM 65 CG LYS A 5 23.887 18.519 30.866 1.00 0.00 C ATOM 66 CD LYS A 5 23.195 17.493 31.749 1.00 0.00 C ATOM 67 CE LYS A 5 22.660 16.328 30.933 1.00 0.00 C ATOM 68 NZ LYS A 5 23.746 15.585 30.236 1.00 0.00 N1+ ATOM 0 H LYS A 5 23.245 20.843 29.858 1.00 0.00 H new ATOM 0 HA LYS A 5 25.484 21.562 31.488 1.00 0.00 H new ATOM 0 HB2 LYS A 5 25.188 19.279 32.384 1.00 0.00 H new ATOM 0 HB3 LYS A 5 23.646 20.105 32.281 1.00 0.00 H new ATOM 0 HG2 LYS A 5 23.180 18.905 30.132 1.00 0.00 H new ATOM 0 HG3 LYS A 5 24.693 18.039 30.311 1.00 0.00 H new ATOM 0 HD2 LYS A 5 23.896 17.123 32.497 1.00 0.00 H new ATOM 0 HD3 LYS A 5 22.375 17.968 32.288 1.00 0.00 H new ATOM 0 HE2 LYS A 5 22.118 15.646 31.588 1.00 0.00 H new ATOM 0 HE3 LYS A 5 21.946 16.699 30.198 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 23.374 14.683 29.877 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 24.101 16.154 29.441 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 24.522 15.399 30.903 1.00 0.00 H new ATOM 82 N ASN A 6 26.167 20.168 28.747 1.00 0.00 N ATOM 83 CA ASN A 6 27.189 19.535 27.904 1.00 0.00 C ATOM 84 C ASN A 6 28.128 20.605 27.312 1.00 0.00 C ATOM 85 O ASN A 6 29.322 20.601 27.597 1.00 0.00 O ATOM 86 CB ASN A 6 26.520 18.638 26.843 1.00 0.00 C ATOM 87 CG ASN A 6 27.534 17.754 26.139 1.00 0.00 C ATOM 88 OD1 ASN A 6 28.522 18.211 25.592 1.00 0.00 O ATOM 89 ND2 ASN A 6 27.360 16.455 26.149 1.00 0.00 N ATOM 0 H ASN A 6 25.385 20.574 28.233 1.00 0.00 H new ATOM 0 HA ASN A 6 27.818 18.879 28.505 1.00 0.00 H new ATOM 0 HB2 ASN A 6 25.761 18.016 27.318 1.00 0.00 H new ATOM 0 HB3 ASN A 6 26.008 19.261 26.110 1.00 0.00 H new ATOM 0 HD21 ASN A 6 28.046 15.845 25.704 1.00 0.00 H new ATOM 0 HD22 ASN A 6 26.539 16.054 26.602 1.00 0.00 H new ATOM 96 N GLU A 7 27.591 21.580 26.570 1.00 0.00 N ATOM 97 CA GLU A 7 28.393 22.679 25.998 1.00 0.00 C ATOM 98 C GLU A 7 28.716 23.765 27.038 1.00 0.00 C ATOM 99 O GLU A 7 29.881 24.059 27.309 1.00 0.00 O ATOM 100 CB GLU A 7 27.690 23.272 24.759 1.00 0.00 C ATOM 101 CG GLU A 7 27.767 22.308 23.564 1.00 0.00 C ATOM 102 CD GLU A 7 26.986 22.771 22.320 1.00 0.00 C ATOM 103 OE1 GLU A 7 26.861 23.993 22.082 1.00 0.00 O ATOM 104 OE2 GLU A 7 26.495 21.892 21.568 1.00 0.00 O ATOM 0 H GLU A 7 26.597 21.634 26.348 1.00 0.00 H new ATOM 0 HA GLU A 7 29.348 22.260 25.682 1.00 0.00 H new ATOM 0 HB2 GLU A 7 26.647 23.481 24.995 1.00 0.00 H new ATOM 0 HB3 GLU A 7 28.154 24.222 24.494 1.00 0.00 H new ATOM 0 HG2 GLU A 7 28.813 22.171 23.291 1.00 0.00 H new ATOM 0 HG3 GLU A 7 27.388 21.334 23.874 1.00 0.00 H new ATOM 111 N TYR A 8 27.692 24.333 27.684 1.00 0.00 N ATOM 112 CA TYR A 8 27.809 25.360 28.732 1.00 0.00 C ATOM 113 C TYR A 8 28.566 24.869 29.969 1.00 0.00 C ATOM 114 O TYR A 8 29.072 25.702 30.715 1.00 0.00 O ATOM 115 CB TYR A 8 26.413 25.921 29.063 1.00 0.00 C ATOM 116 CG TYR A 8 26.439 27.346 29.585 1.00 0.00 C ATOM 117 CD1 TYR A 8 26.651 27.588 30.953 1.00 0.00 C ATOM 118 CD2 TYR A 8 26.299 28.432 28.699 1.00 0.00 C ATOM 119 CE1 TYR A 8 26.780 28.902 31.438 1.00 0.00 C ATOM 120 CE2 TYR A 8 26.405 29.753 29.179 1.00 0.00 C ATOM 121 CZ TYR A 8 26.669 29.990 30.544 1.00 0.00 C ATOM 122 OH TYR A 8 26.839 31.262 30.984 1.00 0.00 O ATOM 0 H TYR A 8 26.723 24.083 27.486 1.00 0.00 H new ATOM 0 HA TYR A 8 28.421 26.175 28.345 1.00 0.00 H new ATOM 0 HB2 TYR A 8 25.793 25.882 28.167 1.00 0.00 H new ATOM 0 HB3 TYR A 8 25.940 25.279 29.806 1.00 0.00 H new ATOM 0 HD1 TYR A 8 26.716 26.756 31.639 1.00 0.00 H new ATOM 0 HD2 TYR A 8 26.110 28.252 27.651 1.00 0.00 H new ATOM 0 HE1 TYR A 8 26.963 29.078 32.488 1.00 0.00 H new ATOM 0 HE2 TYR A 8 26.284 30.585 28.501 1.00 0.00 H new ATOM 0 HH TYR A 8 26.729 31.885 30.235 1.00 0.00 H new ATOM 132 N LYS A 9 28.783 23.554 30.138 1.00 0.00 N ATOM 133 CA LYS A 9 29.731 23.020 31.135 1.00 0.00 C ATOM 134 C LYS A 9 31.084 23.736 31.066 1.00 0.00 C ATOM 135 O LYS A 9 31.630 24.084 32.104 1.00 0.00 O ATOM 136 CB LYS A 9 29.868 21.493 30.990 1.00 0.00 C ATOM 137 CG LYS A 9 31.237 20.900 31.365 1.00 0.00 C ATOM 138 CD LYS A 9 31.297 19.377 31.161 1.00 0.00 C ATOM 139 CE LYS A 9 30.328 18.589 32.053 1.00 0.00 C ATOM 140 NZ LYS A 9 30.609 18.805 33.491 1.00 0.00 N1+ ATOM 0 H LYS A 9 28.310 22.834 29.592 1.00 0.00 H new ATOM 0 HA LYS A 9 29.329 23.218 32.129 1.00 0.00 H new ATOM 0 HB2 LYS A 9 29.107 21.019 31.610 1.00 0.00 H new ATOM 0 HB3 LYS A 9 29.649 21.225 29.956 1.00 0.00 H new ATOM 0 HG2 LYS A 9 32.012 21.374 30.763 1.00 0.00 H new ATOM 0 HG3 LYS A 9 31.456 21.132 32.407 1.00 0.00 H new ATOM 0 HD2 LYS A 9 31.079 19.152 30.117 1.00 0.00 H new ATOM 0 HD3 LYS A 9 32.313 19.035 31.355 1.00 0.00 H new ATOM 0 HE2 LYS A 9 29.304 18.890 31.833 1.00 0.00 H new ATOM 0 HE3 LYS A 9 30.404 17.526 31.823 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 30.003 18.180 34.061 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 31.608 18.590 33.686 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 30.414 19.796 33.738 1.00 0.00 H new ATOM 154 N ILE A 10 31.596 24.031 29.870 1.00 0.00 N ATOM 155 CA ILE A 10 32.875 24.742 29.683 1.00 0.00 C ATOM 156 C ILE A 10 32.864 26.117 30.371 1.00 0.00 C ATOM 157 O ILE A 10 33.786 26.455 31.110 1.00 0.00 O ATOM 158 CB ILE A 10 33.165 24.869 28.176 1.00 0.00 C ATOM 159 CG1 ILE A 10 33.505 23.486 27.579 1.00 0.00 C ATOM 160 CG2 ILE A 10 34.301 25.872 27.901 1.00 0.00 C ATOM 161 CD1 ILE A 10 33.186 23.411 26.087 1.00 0.00 C ATOM 0 H ILE A 10 31.136 23.784 28.994 1.00 0.00 H new ATOM 0 HA ILE A 10 33.672 24.167 30.153 1.00 0.00 H new ATOM 0 HB ILE A 10 32.266 25.251 27.693 1.00 0.00 H new ATOM 0 HG12 ILE A 10 34.563 23.275 27.734 1.00 0.00 H new ATOM 0 HG13 ILE A 10 32.945 22.715 28.108 1.00 0.00 H new ATOM 0 HG21 ILE A 10 34.478 25.936 26.827 1.00 0.00 H new ATOM 0 HG22 ILE A 10 34.019 26.854 28.281 1.00 0.00 H new ATOM 0 HG23 ILE A 10 35.211 25.537 28.399 1.00 0.00 H new ATOM 0 HD11 ILE A 10 33.441 22.421 25.710 1.00 0.00 H new ATOM 0 HD12 ILE A 10 32.123 23.595 25.933 1.00 0.00 H new ATOM 0 HD13 ILE A 10 33.766 24.163 25.553 1.00 0.00 H new ATOM 173 N LEU A 11 31.787 26.885 30.176 1.00 0.00 N ATOM 174 CA LEU A 11 31.564 28.190 30.812 1.00 0.00 C ATOM 175 C LEU A 11 31.323 28.093 32.330 1.00 0.00 C ATOM 176 O LEU A 11 31.417 29.090 33.043 1.00 0.00 O ATOM 177 CB LEU A 11 30.401 28.890 30.088 1.00 0.00 C ATOM 178 CG LEU A 11 30.833 29.467 28.722 1.00 0.00 C ATOM 179 CD1 LEU A 11 29.607 29.901 27.922 1.00 0.00 C ATOM 180 CD2 LEU A 11 31.743 30.690 28.859 1.00 0.00 C ATOM 0 H LEU A 11 31.026 26.610 29.555 1.00 0.00 H new ATOM 0 HA LEU A 11 32.473 28.783 30.714 1.00 0.00 H new ATOM 0 HB2 LEU A 11 29.586 28.181 29.941 1.00 0.00 H new ATOM 0 HB3 LEU A 11 30.015 29.693 30.715 1.00 0.00 H new ATOM 0 HG LEU A 11 31.380 28.671 28.217 1.00 0.00 H new ATOM 0 HD11 LEU A 11 29.924 30.306 26.961 1.00 0.00 H new ATOM 0 HD12 LEU A 11 28.957 29.041 27.757 1.00 0.00 H new ATOM 0 HD13 LEU A 11 29.063 30.666 28.476 1.00 0.00 H new ATOM 0 HD21 LEU A 11 32.015 31.054 27.868 1.00 0.00 H new ATOM 0 HD22 LEU A 11 31.217 31.476 29.402 1.00 0.00 H new ATOM 0 HD23 LEU A 11 32.645 30.413 29.405 1.00 0.00 H new ATOM 192 N ILE A 12 31.061 26.885 32.827 1.00 0.00 N ATOM 193 CA ILE A 12 30.881 26.572 34.251 1.00 0.00 C ATOM 194 C ILE A 12 32.205 26.125 34.889 1.00 0.00 C ATOM 195 O ILE A 12 32.435 26.369 36.071 1.00 0.00 O ATOM 196 CB ILE A 12 29.735 25.548 34.421 1.00 0.00 C ATOM 197 CG1 ILE A 12 28.418 26.161 33.890 1.00 0.00 C ATOM 198 CG2 ILE A 12 29.595 25.109 35.888 1.00 0.00 C ATOM 199 CD1 ILE A 12 27.298 25.142 33.661 1.00 0.00 C ATOM 0 H ILE A 12 30.964 26.064 32.230 1.00 0.00 H new ATOM 0 HA ILE A 12 30.585 27.472 34.791 1.00 0.00 H new ATOM 0 HB ILE A 12 29.968 24.654 33.842 1.00 0.00 H new ATOM 0 HG12 ILE A 12 28.070 26.914 34.597 1.00 0.00 H new ATOM 0 HG13 ILE A 12 28.623 26.676 32.951 1.00 0.00 H new ATOM 0 HG21 ILE A 12 28.781 24.389 35.976 1.00 0.00 H new ATOM 0 HG22 ILE A 12 30.525 24.648 36.220 1.00 0.00 H new ATOM 0 HG23 ILE A 12 29.379 25.978 36.509 1.00 0.00 H new ATOM 0 HD11 ILE A 12 26.411 25.654 33.289 1.00 0.00 H new ATOM 0 HD12 ILE A 12 27.623 24.402 32.930 1.00 0.00 H new ATOM 0 HD13 ILE A 12 27.062 24.644 34.601 1.00 0.00 H new ATOM 211 N MET A 13 33.145 25.577 34.118 1.00 0.00 N ATOM 212 CA MET A 13 34.480 25.261 34.637 1.00 0.00 C ATOM 213 C MET A 13 35.218 26.522 35.115 1.00 0.00 C ATOM 214 O MET A 13 35.748 26.523 36.221 1.00 0.00 O ATOM 215 CB MET A 13 35.302 24.467 33.617 1.00 0.00 C ATOM 216 CG MET A 13 34.676 23.142 33.155 1.00 0.00 C ATOM 217 SD MET A 13 34.351 21.857 34.402 1.00 0.00 S ATOM 218 CE MET A 13 32.727 22.341 35.064 1.00 0.00 C ATOM 0 H MET A 13 33.009 25.343 33.135 1.00 0.00 H new ATOM 0 HA MET A 13 34.349 24.623 35.511 1.00 0.00 H new ATOM 0 HB2 MET A 13 35.469 25.095 32.742 1.00 0.00 H new ATOM 0 HB3 MET A 13 36.280 24.256 34.049 1.00 0.00 H new ATOM 0 HG2 MET A 13 33.731 23.375 32.664 1.00 0.00 H new ATOM 0 HG3 MET A 13 35.331 22.712 32.398 1.00 0.00 H new ATOM 0 HE1 MET A 13 32.126 21.449 35.242 1.00 0.00 H new ATOM 0 HE2 MET A 13 32.862 22.881 36.001 1.00 0.00 H new ATOM 0 HE3 MET A 13 32.218 22.984 34.346 1.00 0.00 H new ATOM 228 N LEU A 14 35.180 27.645 34.380 1.00 0.00 N ATOM 229 CA LEU A 14 35.725 28.911 34.887 1.00 0.00 C ATOM 230 C LEU A 14 34.824 29.612 35.914 1.00 0.00 C ATOM 231 O LEU A 14 35.287 30.537 36.576 1.00 0.00 O ATOM 232 CB LEU A 14 36.125 29.907 33.788 1.00 0.00 C ATOM 233 CG LEU A 14 36.147 29.472 32.313 1.00 0.00 C ATOM 234 CD1 LEU A 14 34.760 29.636 31.703 1.00 0.00 C ATOM 235 CD2 LEU A 14 37.134 30.334 31.530 1.00 0.00 C ATOM 0 H LEU A 14 34.782 27.701 33.443 1.00 0.00 H new ATOM 0 HA LEU A 14 36.634 28.594 35.398 1.00 0.00 H new ATOM 0 HB2 LEU A 14 35.448 30.758 33.863 1.00 0.00 H new ATOM 0 HB3 LEU A 14 37.123 30.271 34.031 1.00 0.00 H new ATOM 0 HG LEU A 14 36.451 28.426 32.263 1.00 0.00 H new ATOM 0 HD11 LEU A 14 34.783 29.326 30.658 1.00 0.00 H new ATOM 0 HD12 LEU A 14 34.047 29.018 32.249 1.00 0.00 H new ATOM 0 HD13 LEU A 14 34.457 30.681 31.765 1.00 0.00 H new ATOM 0 HD21 LEU A 14 37.144 30.019 30.486 1.00 0.00 H new ATOM 0 HD22 LEU A 14 36.832 31.380 31.591 1.00 0.00 H new ATOM 0 HD23 LEU A 14 38.132 30.219 31.953 1.00 0.00 H new ATOM 247 N LYS A 15 33.564 29.190 36.077 1.00 0.00 N ATOM 248 CA LYS A 15 32.756 29.587 37.239 1.00 0.00 C ATOM 249 C LYS A 15 33.339 28.964 38.508 1.00 0.00 C ATOM 250 O LYS A 15 33.704 29.696 39.419 1.00 0.00 O ATOM 251 CB LYS A 15 31.272 29.213 37.060 1.00 0.00 C ATOM 252 CG LYS A 15 30.385 29.638 38.250 1.00 0.00 C ATOM 253 CD LYS A 15 29.400 28.527 38.646 1.00 0.00 C ATOM 254 CE LYS A 15 28.802 28.791 40.036 1.00 0.00 C ATOM 255 NZ LYS A 15 28.015 27.632 40.513 1.00 0.00 N1+ ATOM 0 H LYS A 15 33.082 28.575 35.421 1.00 0.00 H new ATOM 0 HA LYS A 15 32.794 30.673 37.330 1.00 0.00 H new ATOM 0 HB2 LYS A 15 30.895 29.680 36.150 1.00 0.00 H new ATOM 0 HB3 LYS A 15 31.191 28.135 36.923 1.00 0.00 H new ATOM 0 HG2 LYS A 15 31.015 29.888 39.104 1.00 0.00 H new ATOM 0 HG3 LYS A 15 29.831 30.540 37.988 1.00 0.00 H new ATOM 0 HD2 LYS A 15 28.600 28.465 37.908 1.00 0.00 H new ATOM 0 HD3 LYS A 15 29.912 27.565 38.643 1.00 0.00 H new ATOM 0 HE2 LYS A 15 29.603 29.005 40.744 1.00 0.00 H new ATOM 0 HE3 LYS A 15 28.165 29.675 39.998 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 27.449 27.913 41.339 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 27.383 27.306 39.754 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 28.660 26.861 40.782 1.00 0.00 H new ATOM 269 N GLU A 16 33.460 27.636 38.560 1.00 0.00 N ATOM 270 CA GLU A 16 33.904 26.940 39.777 1.00 0.00 C ATOM 271 C GLU A 16 35.412 27.051 40.024 1.00 0.00 C ATOM 272 O GLU A 16 35.826 27.178 41.174 1.00 0.00 O ATOM 273 CB GLU A 16 33.475 25.465 39.770 1.00 0.00 C ATOM 274 CG GLU A 16 31.975 25.192 39.550 1.00 0.00 C ATOM 275 CD GLU A 16 30.999 25.826 40.558 1.00 0.00 C ATOM 276 OE1 GLU A 16 29.787 25.526 40.450 1.00 0.00 O ATOM 277 OE2 GLU A 16 31.391 26.643 41.424 1.00 0.00 O ATOM 0 H GLU A 16 33.257 27.017 37.775 1.00 0.00 H new ATOM 0 HA GLU A 16 33.408 27.450 40.603 1.00 0.00 H new ATOM 0 HB2 GLU A 16 34.035 24.950 38.990 1.00 0.00 H new ATOM 0 HB3 GLU A 16 33.768 25.019 40.720 1.00 0.00 H new ATOM 0 HG2 GLU A 16 31.709 25.542 38.553 1.00 0.00 H new ATOM 0 HG3 GLU A 16 31.821 24.113 39.561 1.00 0.00 H new ATOM 284 N ASN A 17 36.166 27.012 38.927 1.00 0.00 N ATOM 285 CA ASN A 17 37.602 27.265 38.906 1.00 0.00 C ATOM 286 C ASN A 17 37.820 28.750 39.244 1.00 0.00 C ATOM 287 O ASN A 17 38.834 29.105 39.856 1.00 0.00 O ATOM 288 CB ASN A 17 38.191 26.936 37.535 1.00 0.00 C ATOM 289 CG ASN A 17 38.160 25.452 37.228 1.00 0.00 C ATOM 290 OD1 ASN A 17 37.738 25.039 36.148 1.00 0.00 O ATOM 291 ND2 ASN A 17 38.608 24.641 38.180 1.00 0.00 N ATOM 0 H ASN A 17 35.784 26.798 38.006 1.00 0.00 H new ATOM 0 HA ASN A 17 38.105 26.631 39.636 1.00 0.00 H new ATOM 0 HB2 ASN A 17 37.636 27.474 36.767 1.00 0.00 H new ATOM 0 HB3 ASN A 17 39.221 27.291 37.491 1.00 0.00 H new ATOM 0 HD21 ASN A 17 38.611 23.632 38.031 1.00 0.00 H new ATOM 0 HD22 ASN A 17 38.949 25.027 39.060 1.00 0.00 H new ATOM 298 N GLN A 18 36.887 29.579 38.740 1.00 0.00 N ATOM 299 CA GLN A 18 36.777 31.053 38.906 1.00 0.00 C ATOM 300 C GLN A 18 37.707 31.958 38.076 1.00 0.00 C ATOM 301 O GLN A 18 37.842 33.142 38.382 1.00 0.00 O ATOM 302 CB GLN A 18 36.774 31.492 40.385 1.00 0.00 C ATOM 303 CG GLN A 18 35.541 31.052 41.159 1.00 0.00 C ATOM 304 CD GLN A 18 35.601 31.436 42.625 1.00 0.00 C ATOM 305 OE1 GLN A 18 36.682 31.609 43.188 1.00 0.00 O ATOM 306 NE2 GLN A 18 34.437 31.572 43.252 1.00 0.00 N ATOM 0 H GLN A 18 36.130 29.215 38.161 1.00 0.00 H new ATOM 0 HA GLN A 18 35.798 31.225 38.459 1.00 0.00 H new ATOM 0 HB2 GLN A 18 37.661 31.089 40.875 1.00 0.00 H new ATOM 0 HB3 GLN A 18 36.851 32.578 40.431 1.00 0.00 H new ATOM 0 HG2 GLN A 18 34.655 31.498 40.707 1.00 0.00 H new ATOM 0 HG3 GLN A 18 35.431 29.971 41.075 1.00 0.00 H new ATOM 0 HE21 GLN A 18 33.564 31.419 42.746 1.00 0.00 H new ATOM 0 HE22 GLN A 18 34.416 31.829 44.239 1.00 0.00 H new ATOM 315 N CYS A 19 38.344 31.418 37.040 1.00 0.00 N ATOM 316 CA CYS A 19 39.213 32.227 36.181 1.00 0.00 C ATOM 317 C CYS A 19 38.426 32.895 35.041 1.00 0.00 C ATOM 318 O CYS A 19 38.528 32.477 33.887 1.00 0.00 O ATOM 319 CB CYS A 19 40.334 31.363 35.600 1.00 0.00 C ATOM 320 SG CYS A 19 41.760 31.164 36.693 1.00 0.00 S ATOM 0 H CYS A 19 38.278 30.435 36.775 1.00 0.00 H new ATOM 0 HA CYS A 19 39.643 33.015 36.799 1.00 0.00 H new ATOM 0 HB2 CYS A 19 39.932 30.378 35.363 1.00 0.00 H new ATOM 0 HB3 CYS A 19 40.669 31.805 34.662 1.00 0.00 H new ATOM 0 HG CYS A 19 42.651 30.416 36.112 1.00 0.00 H new ATOM 326 N THR A 20 37.646 33.926 35.364 1.00 0.00 N ATOM 327 CA THR A 20 36.843 34.616 34.344 1.00 0.00 C ATOM 328 C THR A 20 36.781 36.132 34.550 1.00 0.00 C ATOM 329 O THR A 20 36.171 36.620 35.500 1.00 0.00 O ATOM 330 CB THR A 20 35.454 33.960 34.244 1.00 0.00 C ATOM 331 OG1 THR A 20 34.663 34.673 33.336 1.00 0.00 O ATOM 332 CG2 THR A 20 34.644 33.852 35.540 1.00 0.00 C ATOM 0 H THR A 20 37.550 34.301 36.308 1.00 0.00 H new ATOM 0 HA THR A 20 37.343 34.497 33.383 1.00 0.00 H new ATOM 0 HB THR A 20 35.680 32.939 33.935 1.00 0.00 H new ATOM 0 HG1 THR A 20 33.780 34.254 33.272 1.00 0.00 H new ATOM 0 HG21 THR A 20 33.688 33.372 35.332 1.00 0.00 H new ATOM 0 HG22 THR A 20 35.198 33.258 36.267 1.00 0.00 H new ATOM 0 HG23 THR A 20 34.469 34.849 35.944 1.00 0.00 H new ATOM 340 N THR A 21 37.491 36.800 33.658 1.00 0.00 N ATOM 341 CA THR A 21 37.613 38.244 33.568 1.00 0.00 C ATOM 342 C THR A 21 38.102 38.549 32.144 1.00 0.00 C ATOM 343 O THR A 21 38.495 37.642 31.393 1.00 0.00 O ATOM 344 CB THR A 21 38.616 38.800 34.593 1.00 0.00 C ATOM 345 OG1 THR A 21 39.925 38.288 34.315 1.00 0.00 O ATOM 346 CG2 THR A 21 38.208 38.407 36.006 1.00 0.00 C ATOM 0 H THR A 21 38.029 36.321 32.936 1.00 0.00 H new ATOM 0 HA THR A 21 36.653 38.714 33.783 1.00 0.00 H new ATOM 0 HB THR A 21 38.623 39.887 34.518 1.00 0.00 H new ATOM 0 HG1 THR A 21 40.585 38.763 34.862 1.00 0.00 H new ATOM 0 HG21 THR A 21 38.929 38.809 36.718 1.00 0.00 H new ATOM 0 HG22 THR A 21 37.219 38.810 36.224 1.00 0.00 H new ATOM 0 HG23 THR A 21 38.184 37.320 36.089 1.00 0.00 H new ATOM 354 N GLU A 22 38.091 39.815 31.740 1.00 0.00 N ATOM 355 CA GLU A 22 38.585 40.137 30.405 1.00 0.00 C ATOM 356 C GLU A 22 40.066 39.747 30.325 1.00 0.00 C ATOM 357 O GLU A 22 40.507 39.135 29.352 1.00 0.00 O ATOM 358 CB GLU A 22 38.415 41.628 30.115 1.00 0.00 C ATOM 359 CG GLU A 22 36.967 42.076 30.006 1.00 0.00 C ATOM 360 CD GLU A 22 36.834 43.571 29.790 1.00 0.00 C ATOM 361 OE1 GLU A 22 37.852 44.284 29.915 1.00 0.00 O ATOM 362 OE2 GLU A 22 35.711 44.034 29.497 1.00 0.00 O ATOM 0 H GLU A 22 37.760 40.607 32.291 1.00 0.00 H new ATOM 0 HA GLU A 22 38.014 39.583 29.660 1.00 0.00 H new ATOM 0 HB2 GLU A 22 38.903 42.199 30.905 1.00 0.00 H new ATOM 0 HB3 GLU A 22 38.930 41.868 29.184 1.00 0.00 H new ATOM 0 HG2 GLU A 22 36.489 41.549 29.180 1.00 0.00 H new ATOM 0 HG3 GLU A 22 36.434 41.795 30.914 1.00 0.00 H new ATOM 369 N LEU A 23 40.821 40.108 31.359 1.00 0.00 N ATOM 370 CA LEU A 23 42.230 39.762 31.474 1.00 0.00 C ATOM 371 C LEU A 23 42.527 38.265 31.680 1.00 0.00 C ATOM 372 O LEU A 23 43.483 37.744 31.106 1.00 0.00 O ATOM 373 CB LEU A 23 42.861 40.557 32.620 1.00 0.00 C ATOM 374 CG LEU A 23 42.627 42.069 32.580 1.00 0.00 C ATOM 375 CD1 LEU A 23 43.242 42.738 33.800 1.00 0.00 C ATOM 376 CD2 LEU A 23 43.185 42.667 31.298 1.00 0.00 C ATOM 0 H LEU A 23 40.467 40.653 32.145 1.00 0.00 H new ATOM 0 HA LEU A 23 42.666 40.020 30.509 1.00 0.00 H new ATOM 0 HB2 LEU A 23 42.473 40.172 33.563 1.00 0.00 H new ATOM 0 HB3 LEU A 23 43.935 40.373 32.618 1.00 0.00 H new ATOM 0 HG LEU A 23 41.552 42.249 32.597 1.00 0.00 H new ATOM 0 HD11 LEU A 23 43.065 43.813 33.754 1.00 0.00 H new ATOM 0 HD12 LEU A 23 42.787 42.334 34.704 1.00 0.00 H new ATOM 0 HD13 LEU A 23 44.315 42.547 33.817 1.00 0.00 H new ATOM 0 HD21 LEU A 23 43.008 43.742 31.291 1.00 0.00 H new ATOM 0 HD22 LEU A 23 44.257 42.476 31.244 1.00 0.00 H new ATOM 0 HD23 LEU A 23 42.691 42.212 30.439 1.00 0.00 H new ATOM 388 N LYS A 24 41.722 37.575 32.493 1.00 0.00 N ATOM 389 CA LYS A 24 42.034 36.167 32.811 1.00 0.00 C ATOM 390 C LYS A 24 41.643 35.259 31.636 1.00 0.00 C ATOM 391 O LYS A 24 40.512 35.317 31.165 1.00 0.00 O ATOM 392 CB LYS A 24 41.290 35.733 34.092 1.00 0.00 C ATOM 393 CG LYS A 24 41.884 36.247 35.419 1.00 0.00 C ATOM 394 CD LYS A 24 40.949 36.164 36.637 1.00 0.00 C ATOM 395 CE LYS A 24 41.778 36.506 37.885 1.00 0.00 C ATOM 396 NZ LYS A 24 40.995 36.489 39.142 1.00 0.00 N1+ ATOM 0 H LYS A 24 40.879 37.945 32.932 1.00 0.00 H new ATOM 0 HA LYS A 24 43.107 36.075 32.982 1.00 0.00 H new ATOM 0 HB2 LYS A 24 40.257 36.073 34.022 1.00 0.00 H new ATOM 0 HB3 LYS A 24 41.266 34.644 34.124 1.00 0.00 H new ATOM 0 HG2 LYS A 24 42.788 35.678 35.637 1.00 0.00 H new ATOM 0 HG3 LYS A 24 42.186 37.286 35.284 1.00 0.00 H new ATOM 0 HD2 LYS A 24 40.116 36.859 36.528 1.00 0.00 H new ATOM 0 HD3 LYS A 24 40.521 35.165 36.724 1.00 0.00 H new ATOM 0 HE2 LYS A 24 42.601 35.796 37.970 1.00 0.00 H new ATOM 0 HE3 LYS A 24 42.221 37.493 37.757 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 41.616 36.728 39.941 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 40.225 37.186 39.081 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 40.593 35.541 39.288 1.00 0.00 H new ATOM 410 N SER A 25 42.572 34.433 31.152 1.00 0.00 N ATOM 411 CA SER A 25 42.436 33.723 29.865 1.00 0.00 C ATOM 412 C SER A 25 42.885 32.252 29.927 1.00 0.00 C ATOM 413 O SER A 25 43.684 31.862 30.781 1.00 0.00 O ATOM 414 CB SER A 25 43.142 34.477 28.715 1.00 0.00 C ATOM 415 OG SER A 25 44.552 34.580 28.868 1.00 0.00 O ATOM 0 H SER A 25 43.446 34.232 31.638 1.00 0.00 H new ATOM 0 HA SER A 25 41.367 33.706 29.651 1.00 0.00 H new ATOM 0 HB2 SER A 25 42.925 33.969 27.775 1.00 0.00 H new ATOM 0 HB3 SER A 25 42.721 35.480 28.640 1.00 0.00 H new ATOM 0 HG SER A 25 44.889 35.311 28.309 1.00 0.00 H new ATOM 421 N PHE A 26 42.363 31.439 29.002 1.00 0.00 N ATOM 422 CA PHE A 26 42.479 29.977 28.951 1.00 0.00 C ATOM 423 C PHE A 26 42.833 29.480 27.530 1.00 0.00 C ATOM 424 O PHE A 26 42.231 29.897 26.536 1.00 0.00 O ATOM 425 CB PHE A 26 41.150 29.362 29.439 1.00 0.00 C ATOM 426 CG PHE A 26 41.223 28.626 30.766 1.00 0.00 C ATOM 427 CD1 PHE A 26 41.078 29.313 31.986 1.00 0.00 C ATOM 428 CD2 PHE A 26 41.399 27.231 30.780 1.00 0.00 C ATOM 429 CE1 PHE A 26 41.153 28.609 33.205 1.00 0.00 C ATOM 430 CE2 PHE A 26 41.406 26.526 31.993 1.00 0.00 C ATOM 431 CZ PHE A 26 41.316 27.213 33.212 1.00 0.00 C ATOM 0 H PHE A 26 41.816 31.805 28.223 1.00 0.00 H new ATOM 0 HA PHE A 26 43.294 29.660 29.602 1.00 0.00 H new ATOM 0 HB2 PHE A 26 40.410 30.158 29.524 1.00 0.00 H new ATOM 0 HB3 PHE A 26 40.788 28.670 28.678 1.00 0.00 H new ATOM 0 HD1 PHE A 26 40.909 30.380 31.988 1.00 0.00 H new ATOM 0 HD2 PHE A 26 41.530 26.698 29.850 1.00 0.00 H new ATOM 0 HE1 PHE A 26 41.085 29.146 34.140 1.00 0.00 H new ATOM 0 HE2 PHE A 26 41.481 25.449 31.988 1.00 0.00 H new ATOM 0 HZ PHE A 26 41.371 26.675 34.147 1.00 0.00 H new ATOM 441 N THR A 27 43.791 28.550 27.435 1.00 0.00 N ATOM 442 CA THR A 27 44.234 27.906 26.179 1.00 0.00 C ATOM 443 C THR A 27 43.490 26.599 25.897 1.00 0.00 C ATOM 444 O THR A 27 43.014 25.932 26.818 1.00 0.00 O ATOM 445 CB THR A 27 45.743 27.611 26.204 1.00 0.00 C ATOM 446 OG1 THR A 27 46.071 26.723 27.252 1.00 0.00 O ATOM 447 CG2 THR A 27 46.575 28.876 26.380 1.00 0.00 C ATOM 0 H THR A 27 44.299 28.210 28.252 1.00 0.00 H new ATOM 0 HA THR A 27 44.006 28.618 25.385 1.00 0.00 H new ATOM 0 HB THR A 27 45.976 27.160 25.239 1.00 0.00 H new ATOM 0 HG1 THR A 27 47.036 26.551 27.245 1.00 0.00 H new ATOM 0 HG21 THR A 27 47.634 28.617 26.392 1.00 0.00 H new ATOM 0 HG22 THR A 27 46.378 29.559 25.554 1.00 0.00 H new ATOM 0 HG23 THR A 27 46.309 29.358 27.321 1.00 0.00 H new ATOM 455 N TYR A 28 43.436 26.168 24.631 1.00 0.00 N ATOM 456 CA TYR A 28 42.768 24.916 24.240 1.00 0.00 C ATOM 457 C TYR A 28 43.338 23.673 24.941 1.00 0.00 C ATOM 458 O TYR A 28 42.571 22.795 25.335 1.00 0.00 O ATOM 459 CB TYR A 28 42.820 24.733 22.715 1.00 0.00 C ATOM 460 CG TYR A 28 41.988 25.715 21.910 1.00 0.00 C ATOM 461 CD1 TYR A 28 40.633 25.920 22.240 1.00 0.00 C ATOM 462 CD2 TYR A 28 42.538 26.363 20.785 1.00 0.00 C ATOM 463 CE1 TYR A 28 39.835 26.774 21.464 1.00 0.00 C ATOM 464 CE2 TYR A 28 41.734 27.210 19.994 1.00 0.00 C ATOM 465 CZ TYR A 28 40.381 27.418 20.333 1.00 0.00 C ATOM 466 OH TYR A 28 39.588 28.181 19.538 1.00 0.00 O ATOM 0 H TYR A 28 43.852 26.674 23.849 1.00 0.00 H new ATOM 0 HA TYR A 28 41.732 25.009 24.566 1.00 0.00 H new ATOM 0 HB2 TYR A 28 43.858 24.813 22.392 1.00 0.00 H new ATOM 0 HB3 TYR A 28 42.489 23.722 22.476 1.00 0.00 H new ATOM 0 HD1 TYR A 28 40.207 25.417 23.095 1.00 0.00 H new ATOM 0 HD2 TYR A 28 43.576 26.211 20.529 1.00 0.00 H new ATOM 0 HE1 TYR A 28 38.802 26.939 21.732 1.00 0.00 H new ATOM 0 HE2 TYR A 28 42.155 27.700 19.128 1.00 0.00 H new ATOM 0 HH TYR A 28 39.874 29.117 19.592 1.00 0.00 H new ATOM 476 N THR A 29 44.653 23.612 25.164 1.00 0.00 N ATOM 477 CA THR A 29 45.314 22.509 25.886 1.00 0.00 C ATOM 478 C THR A 29 44.825 22.411 27.332 1.00 0.00 C ATOM 479 O THR A 29 44.447 21.336 27.800 1.00 0.00 O ATOM 480 CB THR A 29 46.839 22.702 25.870 1.00 0.00 C ATOM 481 OG1 THR A 29 47.252 22.974 24.554 1.00 0.00 O ATOM 482 CG2 THR A 29 47.602 21.470 26.354 1.00 0.00 C ATOM 0 H THR A 29 45.301 24.333 24.847 1.00 0.00 H new ATOM 0 HA THR A 29 45.057 21.581 25.375 1.00 0.00 H new ATOM 0 HB THR A 29 47.061 23.525 26.549 1.00 0.00 H new ATOM 0 HG1 THR A 29 48.224 23.100 24.536 1.00 0.00 H new ATOM 0 HG21 THR A 29 48.673 21.669 26.319 1.00 0.00 H new ATOM 0 HG22 THR A 29 47.309 21.239 27.378 1.00 0.00 H new ATOM 0 HG23 THR A 29 47.369 20.622 25.710 1.00 0.00 H new ATOM 490 N LYS A 30 44.774 23.546 28.043 1.00 0.00 N ATOM 491 CA LYS A 30 44.337 23.599 29.443 1.00 0.00 C ATOM 492 C LYS A 30 42.814 23.455 29.588 1.00 0.00 C ATOM 493 O LYS A 30 42.361 22.822 30.541 1.00 0.00 O ATOM 494 CB LYS A 30 44.917 24.878 30.070 1.00 0.00 C ATOM 495 CG LYS A 30 44.646 25.061 31.569 1.00 0.00 C ATOM 496 CD LYS A 30 44.958 23.849 32.459 1.00 0.00 C ATOM 497 CE LYS A 30 44.783 24.226 33.934 1.00 0.00 C ATOM 498 NZ LYS A 30 45.977 24.914 34.466 1.00 0.00 N1+ ATOM 0 H LYS A 30 45.036 24.455 27.661 1.00 0.00 H new ATOM 0 HA LYS A 30 44.723 22.742 29.995 1.00 0.00 H new ATOM 0 HB2 LYS A 30 45.995 24.883 29.910 1.00 0.00 H new ATOM 0 HB3 LYS A 30 44.512 25.739 29.538 1.00 0.00 H new ATOM 0 HG2 LYS A 30 45.232 25.909 31.924 1.00 0.00 H new ATOM 0 HG3 LYS A 30 43.596 25.323 31.700 1.00 0.00 H new ATOM 0 HD2 LYS A 30 44.296 23.021 32.205 1.00 0.00 H new ATOM 0 HD3 LYS A 30 45.978 23.509 32.280 1.00 0.00 H new ATOM 0 HE2 LYS A 30 43.912 24.871 34.044 1.00 0.00 H new ATOM 0 HE3 LYS A 30 44.590 23.327 34.519 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 45.823 25.154 35.466 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 46.804 24.288 34.384 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 46.147 25.785 33.923 1.00 0.00 H new ATOM 512 N LEU A 31 42.027 23.943 28.622 1.00 0.00 N ATOM 513 CA LEU A 31 40.588 23.664 28.540 1.00 0.00 C ATOM 514 C LEU A 31 40.305 22.170 28.318 1.00 0.00 C ATOM 515 O LEU A 31 39.436 21.628 28.993 1.00 0.00 O ATOM 516 CB LEU A 31 39.935 24.469 27.395 1.00 0.00 C ATOM 517 CG LEU A 31 39.774 25.982 27.621 1.00 0.00 C ATOM 518 CD1 LEU A 31 39.317 26.655 26.326 1.00 0.00 C ATOM 519 CD2 LEU A 31 38.740 26.286 28.707 1.00 0.00 C ATOM 0 H LEU A 31 42.371 24.544 27.873 1.00 0.00 H new ATOM 0 HA LEU A 31 40.158 23.964 29.496 1.00 0.00 H new ATOM 0 HB2 LEU A 31 40.528 24.321 26.493 1.00 0.00 H new ATOM 0 HB3 LEU A 31 38.949 24.047 27.201 1.00 0.00 H new ATOM 0 HG LEU A 31 40.744 26.366 27.937 1.00 0.00 H new ATOM 0 HD11 LEU A 31 39.205 27.726 26.493 1.00 0.00 H new ATOM 0 HD12 LEU A 31 40.059 26.485 25.546 1.00 0.00 H new ATOM 0 HD13 LEU A 31 38.361 26.234 26.015 1.00 0.00 H new ATOM 0 HD21 LEU A 31 38.655 27.365 28.837 1.00 0.00 H new ATOM 0 HD22 LEU A 31 37.773 25.879 28.413 1.00 0.00 H new ATOM 0 HD23 LEU A 31 39.054 25.831 29.646 1.00 0.00 H new ATOM 531 N CYS A 32 41.036 21.499 27.420 1.00 0.00 N ATOM 532 CA CYS A 32 40.904 20.061 27.146 1.00 0.00 C ATOM 533 C CYS A 32 41.051 19.226 28.431 1.00 0.00 C ATOM 534 O CYS A 32 40.161 18.444 28.773 1.00 0.00 O ATOM 535 CB CYS A 32 41.955 19.692 26.082 1.00 0.00 C ATOM 536 SG CYS A 32 42.027 17.901 25.794 1.00 0.00 S ATOM 0 H CYS A 32 41.752 21.950 26.850 1.00 0.00 H new ATOM 0 HA CYS A 32 39.907 19.835 26.766 1.00 0.00 H new ATOM 0 HB2 CYS A 32 41.719 20.201 25.147 1.00 0.00 H new ATOM 0 HB3 CYS A 32 42.935 20.048 26.401 1.00 0.00 H new ATOM 0 HG CYS A 32 40.821 17.435 25.655 1.00 0.00 H new ATOM 542 N ASN A 33 42.119 19.484 29.200 1.00 0.00 N ATOM 543 CA ASN A 33 42.419 18.798 30.461 1.00 0.00 C ATOM 544 C ASN A 33 41.237 18.793 31.451 1.00 0.00 C ATOM 545 O ASN A 33 40.920 17.741 32.008 1.00 0.00 O ATOM 546 CB ASN A 33 43.660 19.470 31.078 1.00 0.00 C ATOM 547 CG ASN A 33 43.982 18.920 32.458 1.00 0.00 C ATOM 548 OD1 ASN A 33 44.531 17.846 32.608 1.00 0.00 O ATOM 549 ND2 ASN A 33 43.623 19.612 33.513 1.00 0.00 N ATOM 0 H ASN A 33 42.812 20.191 28.955 1.00 0.00 H new ATOM 0 HA ASN A 33 42.612 17.747 30.248 1.00 0.00 H new ATOM 0 HB2 ASN A 33 44.517 19.322 30.420 1.00 0.00 H new ATOM 0 HB3 ASN A 33 43.493 20.545 31.147 1.00 0.00 H new ATOM 0 HD21 ASN A 33 43.805 19.248 34.448 1.00 0.00 H new ATOM 0 HD22 ASN A 33 43.162 20.514 33.398 1.00 0.00 H new ATOM 556 N ILE A 34 40.602 19.954 31.667 1.00 0.00 N ATOM 557 CA ILE A 34 39.495 20.111 32.628 1.00 0.00 C ATOM 558 C ILE A 34 38.126 19.745 32.035 1.00 0.00 C ATOM 559 O ILE A 34 37.252 19.272 32.754 1.00 0.00 O ATOM 560 CB ILE A 34 39.504 21.532 33.242 1.00 0.00 C ATOM 561 CG1 ILE A 34 39.106 22.641 32.241 1.00 0.00 C ATOM 562 CG2 ILE A 34 40.887 21.831 33.854 1.00 0.00 C ATOM 563 CD1 ILE A 34 39.080 24.036 32.870 1.00 0.00 C ATOM 0 H ILE A 34 40.842 20.817 31.178 1.00 0.00 H new ATOM 0 HA ILE A 34 39.663 19.393 33.431 1.00 0.00 H new ATOM 0 HB ILE A 34 38.741 21.540 34.021 1.00 0.00 H new ATOM 0 HG12 ILE A 34 39.808 22.638 31.407 1.00 0.00 H new ATOM 0 HG13 ILE A 34 38.122 22.416 31.831 1.00 0.00 H new ATOM 0 HG21 ILE A 34 40.886 22.833 34.284 1.00 0.00 H new ATOM 0 HG22 ILE A 34 41.105 21.101 34.634 1.00 0.00 H new ATOM 0 HG23 ILE A 34 41.649 21.771 33.077 1.00 0.00 H new ATOM 0 HD11 ILE A 34 38.794 24.770 32.116 1.00 0.00 H new ATOM 0 HD12 ILE A 34 38.358 24.054 33.686 1.00 0.00 H new ATOM 0 HD13 ILE A 34 40.070 24.280 33.256 1.00 0.00 H new ATOM 575 N SER A 35 37.934 19.918 30.724 1.00 0.00 N ATOM 576 CA SER A 35 36.665 19.612 30.042 1.00 0.00 C ATOM 577 C SER A 35 36.480 18.116 29.752 1.00 0.00 C ATOM 578 O SER A 35 35.387 17.715 29.360 1.00 0.00 O ATOM 579 CB SER A 35 36.537 20.399 28.731 1.00 0.00 C ATOM 580 OG SER A 35 36.748 21.781 28.937 1.00 0.00 O ATOM 0 H SER A 35 38.656 20.276 30.099 1.00 0.00 H new ATOM 0 HA SER A 35 35.880 19.915 30.735 1.00 0.00 H new ATOM 0 HB2 SER A 35 37.260 20.023 28.007 1.00 0.00 H new ATOM 0 HB3 SER A 35 35.547 20.240 28.305 1.00 0.00 H new ATOM 0 HG SER A 35 37.710 21.963 28.977 1.00 0.00 H new ATOM 586 N LYS A 36 37.531 17.295 29.918 1.00 0.00 N ATOM 587 CA LYS A 36 37.548 15.840 29.643 1.00 0.00 C ATOM 588 C LYS A 36 37.214 15.459 28.194 1.00 0.00 C ATOM 589 O LYS A 36 36.797 14.336 27.904 1.00 0.00 O ATOM 590 CB LYS A 36 36.690 15.089 30.676 1.00 0.00 C ATOM 591 CG LYS A 36 37.371 15.115 32.057 1.00 0.00 C ATOM 592 CD LYS A 36 36.686 14.272 33.141 1.00 0.00 C ATOM 593 CE LYS A 36 37.496 14.165 34.439 1.00 0.00 C ATOM 594 NZ LYS A 36 36.718 13.492 35.502 1.00 0.00 N1+ ATOM 0 H LYS A 36 38.429 17.636 30.261 1.00 0.00 H new ATOM 0 HA LYS A 36 38.583 15.516 29.757 1.00 0.00 H new ATOM 0 HB2 LYS A 36 35.703 15.547 30.741 1.00 0.00 H new ATOM 0 HB3 LYS A 36 36.542 14.058 30.355 1.00 0.00 H new ATOM 0 HG2 LYS A 36 38.398 14.767 31.944 1.00 0.00 H new ATOM 0 HG3 LYS A 36 37.420 16.148 32.400 1.00 0.00 H new ATOM 0 HD2 LYS A 36 35.712 14.706 33.365 1.00 0.00 H new ATOM 0 HD3 LYS A 36 36.506 13.270 32.751 1.00 0.00 H new ATOM 0 HE2 LYS A 36 38.416 13.611 34.252 1.00 0.00 H new ATOM 0 HE3 LYS A 36 37.786 15.161 34.773 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 37.291 13.434 36.368 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 35.852 14.035 35.695 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 36.463 12.533 35.191 1.00 0.00 H new ATOM 608 N LEU A 37 37.410 16.386 27.265 1.00 0.00 N ATOM 609 CA LEU A 37 37.098 16.251 25.856 1.00 0.00 C ATOM 610 C LEU A 37 38.156 16.973 25.025 1.00 0.00 C ATOM 611 O LEU A 37 38.703 17.990 25.451 1.00 0.00 O ATOM 612 CB LEU A 37 35.655 16.720 25.638 1.00 0.00 C ATOM 613 CG LEU A 37 35.366 18.213 25.895 1.00 0.00 C ATOM 614 CD1 LEU A 37 35.549 19.072 24.649 1.00 0.00 C ATOM 615 CD2 LEU A 37 33.916 18.438 26.311 1.00 0.00 C ATOM 0 H LEU A 37 37.811 17.296 27.490 1.00 0.00 H new ATOM 0 HA LEU A 37 37.137 15.216 25.517 1.00 0.00 H new ATOM 0 HB2 LEU A 37 35.374 16.491 24.610 1.00 0.00 H new ATOM 0 HB3 LEU A 37 35.004 16.131 26.285 1.00 0.00 H new ATOM 0 HG LEU A 37 36.072 18.495 26.676 1.00 0.00 H new ATOM 0 HD11 LEU A 37 35.332 20.113 24.890 1.00 0.00 H new ATOM 0 HD12 LEU A 37 36.577 18.988 24.297 1.00 0.00 H new ATOM 0 HD13 LEU A 37 34.869 18.731 23.869 1.00 0.00 H new ATOM 0 HD21 LEU A 37 33.748 19.501 26.484 1.00 0.00 H new ATOM 0 HD22 LEU A 37 33.252 18.090 25.520 1.00 0.00 H new ATOM 0 HD23 LEU A 37 33.710 17.884 27.227 1.00 0.00 H new ATOM 627 N SER A 38 38.463 16.401 23.861 1.00 0.00 N ATOM 628 CA SER A 38 39.679 16.697 23.098 1.00 0.00 C ATOM 629 C SER A 38 39.823 18.174 22.711 1.00 0.00 C ATOM 630 O SER A 38 38.833 18.888 22.538 1.00 0.00 O ATOM 631 CB SER A 38 39.701 15.806 21.858 1.00 0.00 C ATOM 632 OG SER A 38 40.961 15.825 21.219 1.00 0.00 O ATOM 0 H SER A 38 37.865 15.707 23.413 1.00 0.00 H new ATOM 0 HA SER A 38 40.533 16.487 23.742 1.00 0.00 H new ATOM 0 HB2 SER A 38 39.453 14.783 22.141 1.00 0.00 H new ATOM 0 HB3 SER A 38 38.934 16.138 21.158 1.00 0.00 H new ATOM 0 HG SER A 38 40.937 15.242 20.431 1.00 0.00 H new ATOM 638 N MET A 39 41.061 18.633 22.506 1.00 0.00 N ATOM 639 CA MET A 39 41.361 20.022 22.128 1.00 0.00 C ATOM 640 C MET A 39 40.692 20.440 20.800 1.00 0.00 C ATOM 641 O MET A 39 40.289 21.591 20.647 1.00 0.00 O ATOM 642 CB MET A 39 42.883 20.247 22.124 1.00 0.00 C ATOM 643 CG MET A 39 43.661 19.383 21.121 1.00 0.00 C ATOM 644 SD MET A 39 45.460 19.516 21.311 1.00 0.00 S ATOM 645 CE MET A 39 45.979 18.284 20.083 1.00 0.00 C ATOM 0 H MET A 39 41.892 18.048 22.598 1.00 0.00 H new ATOM 0 HA MET A 39 40.923 20.678 22.880 1.00 0.00 H new ATOM 0 HB2 MET A 39 43.080 21.297 21.907 1.00 0.00 H new ATOM 0 HB3 MET A 39 43.267 20.051 23.125 1.00 0.00 H new ATOM 0 HG2 MET A 39 43.365 18.341 21.242 1.00 0.00 H new ATOM 0 HG3 MET A 39 43.386 19.677 20.108 1.00 0.00 H new ATOM 0 HE1 MET A 39 47.067 18.229 20.061 1.00 0.00 H new ATOM 0 HE2 MET A 39 45.571 17.309 20.351 1.00 0.00 H new ATOM 0 HE3 MET A 39 45.610 18.573 19.099 1.00 0.00 H new ATOM 655 N SER A 40 40.484 19.499 19.875 1.00 0.00 N ATOM 656 CA SER A 40 39.676 19.673 18.659 1.00 0.00 C ATOM 657 C SER A 40 38.157 19.657 18.912 1.00 0.00 C ATOM 658 O SER A 40 37.420 20.347 18.207 1.00 0.00 O ATOM 659 CB SER A 40 40.090 18.610 17.630 1.00 0.00 C ATOM 660 OG SER A 40 39.805 17.294 18.085 1.00 0.00 O ATOM 0 H SER A 40 40.885 18.564 19.952 1.00 0.00 H new ATOM 0 HA SER A 40 39.879 20.670 18.268 1.00 0.00 H new ATOM 0 HB2 SER A 40 39.567 18.791 16.691 1.00 0.00 H new ATOM 0 HB3 SER A 40 41.157 18.700 17.424 1.00 0.00 H new ATOM 0 HG SER A 40 40.080 16.646 17.404 1.00 0.00 H new ATOM 666 N THR A 41 37.673 18.950 19.943 1.00 0.00 N ATOM 667 CA THR A 41 36.255 18.957 20.356 1.00 0.00 C ATOM 668 C THR A 41 35.883 20.298 21.011 1.00 0.00 C ATOM 669 O THR A 41 34.938 20.956 20.577 1.00 0.00 O ATOM 670 CB THR A 41 35.901 17.755 21.271 1.00 0.00 C ATOM 671 OG1 THR A 41 36.418 16.561 20.727 1.00 0.00 O ATOM 672 CG2 THR A 41 34.389 17.557 21.384 1.00 0.00 C ATOM 0 H THR A 41 38.259 18.349 20.523 1.00 0.00 H new ATOM 0 HA THR A 41 35.654 18.844 19.454 1.00 0.00 H new ATOM 0 HB THR A 41 36.329 17.974 22.249 1.00 0.00 H new ATOM 0 HG1 THR A 41 36.190 15.809 21.313 1.00 0.00 H new ATOM 0 HG21 THR A 41 34.181 16.706 22.033 1.00 0.00 H new ATOM 0 HG22 THR A 41 33.935 18.454 21.805 1.00 0.00 H new ATOM 0 HG23 THR A 41 33.972 17.369 20.395 1.00 0.00 H new ATOM 680 N VAL A 42 36.665 20.769 21.995 1.00 0.00 N ATOM 681 CA VAL A 42 36.411 22.039 22.719 1.00 0.00 C ATOM 682 C VAL A 42 36.550 23.282 21.831 1.00 0.00 C ATOM 683 O VAL A 42 35.881 24.294 22.062 1.00 0.00 O ATOM 684 CB VAL A 42 37.310 22.144 23.969 1.00 0.00 C ATOM 685 CG1 VAL A 42 38.781 22.393 23.645 1.00 0.00 C ATOM 686 CG2 VAL A 42 36.849 23.247 24.924 1.00 0.00 C ATOM 0 H VAL A 42 37.500 20.280 22.318 1.00 0.00 H new ATOM 0 HA VAL A 42 35.369 22.011 23.036 1.00 0.00 H new ATOM 0 HB VAL A 42 37.215 21.168 24.445 1.00 0.00 H new ATOM 0 HG11 VAL A 42 39.352 22.455 24.571 1.00 0.00 H new ATOM 0 HG12 VAL A 42 39.164 21.573 23.037 1.00 0.00 H new ATOM 0 HG13 VAL A 42 38.879 23.329 23.095 1.00 0.00 H new ATOM 0 HG21 VAL A 42 37.513 23.281 25.788 1.00 0.00 H new ATOM 0 HG22 VAL A 42 36.873 24.207 24.409 1.00 0.00 H new ATOM 0 HG23 VAL A 42 35.832 23.039 25.256 1.00 0.00 H new ATOM 696 N ARG A 43 37.381 23.195 20.783 1.00 0.00 N ATOM 697 CA ARG A 43 37.589 24.254 19.779 1.00 0.00 C ATOM 698 C ARG A 43 36.272 24.783 19.196 1.00 0.00 C ATOM 699 O ARG A 43 36.071 25.998 19.172 1.00 0.00 O ATOM 700 CB ARG A 43 38.532 23.748 18.665 1.00 0.00 C ATOM 701 CG ARG A 43 39.925 24.402 18.741 1.00 0.00 C ATOM 702 CD ARG A 43 40.870 23.977 17.607 1.00 0.00 C ATOM 703 NE ARG A 43 40.278 24.304 16.301 1.00 0.00 N ATOM 704 CZ ARG A 43 40.417 25.397 15.582 1.00 0.00 C ATOM 705 NH1 ARG A 43 41.162 26.371 16.010 1.00 0.00 N ATOM 706 NH2 ARG A 43 39.823 25.507 14.439 1.00 0.00 N ATOM 0 H ARG A 43 37.944 22.364 20.603 1.00 0.00 H new ATOM 0 HA ARG A 43 38.057 25.098 20.285 1.00 0.00 H new ATOM 0 HB2 ARG A 43 38.636 22.666 18.743 1.00 0.00 H new ATOM 0 HB3 ARG A 43 38.087 23.956 17.692 1.00 0.00 H new ATOM 0 HG2 ARG A 43 39.809 25.486 18.719 1.00 0.00 H new ATOM 0 HG3 ARG A 43 40.383 24.150 19.697 1.00 0.00 H new ATOM 0 HD2 ARG A 43 41.830 24.482 17.716 1.00 0.00 H new ATOM 0 HD3 ARG A 43 41.064 22.906 17.668 1.00 0.00 H new ATOM 0 HE ARG A 43 39.677 23.585 15.897 1.00 0.00 H new ATOM 0 HH11 ARG A 43 41.642 26.290 16.906 1.00 0.00 H new ATOM 0 HH12 ARG A 43 41.267 27.217 15.450 1.00 0.00 H new ATOM 0 HH21 ARG A 43 39.243 24.744 14.090 1.00 0.00 H new ATOM 0 HH22 ARG A 43 39.934 26.357 13.886 1.00 0.00 H new ATOM 720 N ARG A 44 35.352 23.892 18.798 1.00 0.00 N ATOM 721 CA ARG A 44 34.048 24.231 18.239 1.00 0.00 C ATOM 722 C ARG A 44 33.160 24.947 19.260 1.00 0.00 C ATOM 723 O ARG A 44 32.551 25.959 18.923 1.00 0.00 O ATOM 724 CB ARG A 44 33.454 22.920 17.695 1.00 0.00 C ATOM 725 CG ARG A 44 32.020 23.121 17.220 1.00 0.00 C ATOM 726 CD ARG A 44 31.556 22.095 16.173 1.00 0.00 C ATOM 727 NE ARG A 44 32.083 22.421 14.831 1.00 0.00 N ATOM 728 CZ ARG A 44 32.734 21.653 13.978 1.00 0.00 C ATOM 729 NH1 ARG A 44 32.995 20.416 14.277 1.00 0.00 N ATOM 730 NH2 ARG A 44 33.146 22.137 12.839 1.00 0.00 N ATOM 0 H ARG A 44 35.506 22.886 18.861 1.00 0.00 H new ATOM 0 HA ARG A 44 34.132 24.951 17.425 1.00 0.00 H new ATOM 0 HB2 ARG A 44 34.066 22.555 16.870 1.00 0.00 H new ATOM 0 HB3 ARG A 44 33.479 22.156 18.472 1.00 0.00 H new ATOM 0 HG2 ARG A 44 31.353 23.072 18.081 1.00 0.00 H new ATOM 0 HG3 ARG A 44 31.925 24.122 16.799 1.00 0.00 H new ATOM 0 HD2 ARG A 44 31.889 21.099 16.465 1.00 0.00 H new ATOM 0 HD3 ARG A 44 30.467 22.071 16.142 1.00 0.00 H new ATOM 0 HE ARG A 44 31.920 23.378 14.519 1.00 0.00 H new ATOM 0 HH11 ARG A 44 32.696 20.034 15.175 1.00 0.00 H new ATOM 0 HH12 ARG A 44 33.498 19.826 13.614 1.00 0.00 H new ATOM 0 HH21 ARG A 44 32.965 23.113 12.604 1.00 0.00 H new ATOM 0 HH22 ARG A 44 33.649 21.539 12.183 1.00 0.00 H new ATOM 744 N SER A 45 33.141 24.493 20.512 1.00 0.00 N ATOM 745 CA SER A 45 32.361 25.126 21.586 1.00 0.00 C ATOM 746 C SER A 45 32.833 26.557 21.872 1.00 0.00 C ATOM 747 O SER A 45 32.013 27.470 21.895 1.00 0.00 O ATOM 748 CB SER A 45 32.421 24.282 22.862 1.00 0.00 C ATOM 749 OG SER A 45 32.124 22.931 22.558 1.00 0.00 O ATOM 0 H SER A 45 33.666 23.673 20.816 1.00 0.00 H new ATOM 0 HA SER A 45 31.327 25.183 21.245 1.00 0.00 H new ATOM 0 HB2 SER A 45 33.412 24.354 23.310 1.00 0.00 H new ATOM 0 HB3 SER A 45 31.711 24.664 23.595 1.00 0.00 H new ATOM 0 HG SER A 45 32.165 22.395 23.377 1.00 0.00 H new ATOM 755 N ILE A 46 34.148 26.793 21.986 1.00 0.00 N ATOM 756 CA ILE A 46 34.715 28.152 22.122 1.00 0.00 C ATOM 757 C ILE A 46 34.332 29.050 20.935 1.00 0.00 C ATOM 758 O ILE A 46 34.033 30.223 21.146 1.00 0.00 O ATOM 759 CB ILE A 46 36.251 28.072 22.324 1.00 0.00 C ATOM 760 CG1 ILE A 46 36.612 27.206 23.556 1.00 0.00 C ATOM 761 CG2 ILE A 46 36.967 29.435 22.402 1.00 0.00 C ATOM 762 CD1 ILE A 46 36.060 27.639 24.912 1.00 0.00 C ATOM 0 H ILE A 46 34.850 26.053 21.987 1.00 0.00 H new ATOM 0 HA ILE A 46 34.284 28.618 23.008 1.00 0.00 H new ATOM 0 HB ILE A 46 36.622 27.595 21.417 1.00 0.00 H new ATOM 0 HG12 ILE A 46 36.270 26.189 23.363 1.00 0.00 H new ATOM 0 HG13 ILE A 46 37.699 27.168 23.633 1.00 0.00 H new ATOM 0 HG21 ILE A 46 38.036 29.277 22.544 1.00 0.00 H new ATOM 0 HG22 ILE A 46 36.801 29.986 21.477 1.00 0.00 H new ATOM 0 HG23 ILE A 46 36.570 30.007 23.241 1.00 0.00 H new ATOM 0 HD11 ILE A 46 36.393 26.941 25.680 1.00 0.00 H new ATOM 0 HD12 ILE A 46 36.421 28.640 25.149 1.00 0.00 H new ATOM 0 HD13 ILE A 46 34.971 27.646 24.876 1.00 0.00 H new ATOM 774 N LYS A 47 34.298 28.521 19.703 1.00 0.00 N ATOM 775 CA LYS A 47 33.929 29.296 18.505 1.00 0.00 C ATOM 776 C LYS A 47 32.447 29.664 18.496 1.00 0.00 C ATOM 777 O LYS A 47 32.118 30.835 18.330 1.00 0.00 O ATOM 778 CB LYS A 47 34.371 28.553 17.233 1.00 0.00 C ATOM 779 CG LYS A 47 35.879 28.719 16.983 1.00 0.00 C ATOM 780 CD LYS A 47 36.204 30.105 16.394 1.00 0.00 C ATOM 781 CE LYS A 47 37.711 30.375 16.388 1.00 0.00 C ATOM 782 NZ LYS A 47 38.005 31.771 15.983 1.00 0.00 N1+ ATOM 0 H LYS A 47 34.525 27.546 19.507 1.00 0.00 H new ATOM 0 HA LYS A 47 34.464 30.245 18.530 1.00 0.00 H new ATOM 0 HB2 LYS A 47 34.130 27.494 17.326 1.00 0.00 H new ATOM 0 HB3 LYS A 47 33.814 28.932 16.376 1.00 0.00 H new ATOM 0 HG2 LYS A 47 36.421 28.584 17.919 1.00 0.00 H new ATOM 0 HG3 LYS A 47 36.223 27.942 16.300 1.00 0.00 H new ATOM 0 HD2 LYS A 47 35.818 30.168 15.376 1.00 0.00 H new ATOM 0 HD3 LYS A 47 35.698 30.876 16.975 1.00 0.00 H new ATOM 0 HE2 LYS A 47 38.120 30.188 17.381 1.00 0.00 H new ATOM 0 HE3 LYS A 47 38.204 29.684 15.704 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 38.996 31.842 15.677 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 37.380 32.044 15.198 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 37.845 32.408 16.790 1.00 0.00 H new ATOM 796 N LYS A 48 31.566 28.718 18.826 1.00 0.00 N ATOM 797 CA LYS A 48 30.138 28.977 19.074 1.00 0.00 C ATOM 798 C LYS A 48 29.940 30.026 20.184 1.00 0.00 C ATOM 799 O LYS A 48 29.115 30.923 20.034 1.00 0.00 O ATOM 800 CB LYS A 48 29.448 27.632 19.374 1.00 0.00 C ATOM 801 CG LYS A 48 29.335 26.758 18.105 1.00 0.00 C ATOM 802 CD LYS A 48 28.864 25.320 18.389 1.00 0.00 C ATOM 803 CE LYS A 48 27.352 25.168 18.618 1.00 0.00 C ATOM 804 NZ LYS A 48 26.583 25.221 17.349 1.00 0.00 N1+ ATOM 0 H LYS A 48 31.823 27.736 18.931 1.00 0.00 H new ATOM 0 HA LYS A 48 29.672 29.412 18.190 1.00 0.00 H new ATOM 0 HB2 LYS A 48 30.011 27.095 20.138 1.00 0.00 H new ATOM 0 HB3 LYS A 48 28.453 27.815 19.781 1.00 0.00 H new ATOM 0 HG2 LYS A 48 28.640 27.229 17.410 1.00 0.00 H new ATOM 0 HG3 LYS A 48 30.306 26.723 17.610 1.00 0.00 H new ATOM 0 HD2 LYS A 48 29.156 24.686 17.552 1.00 0.00 H new ATOM 0 HD3 LYS A 48 29.389 24.948 19.269 1.00 0.00 H new ATOM 0 HE2 LYS A 48 27.156 24.221 19.120 1.00 0.00 H new ATOM 0 HE3 LYS A 48 27.006 25.959 19.284 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 25.569 25.114 17.553 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 26.748 26.135 16.881 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 26.893 24.451 16.723 1.00 0.00 H new ATOM 818 N PHE A 49 30.743 30.000 21.253 1.00 0.00 N ATOM 819 CA PHE A 49 30.708 31.021 22.311 1.00 0.00 C ATOM 820 C PHE A 49 31.257 32.405 21.928 1.00 0.00 C ATOM 821 O PHE A 49 30.955 33.364 22.640 1.00 0.00 O ATOM 822 CB PHE A 49 31.429 30.529 23.570 1.00 0.00 C ATOM 823 CG PHE A 49 30.899 29.272 24.228 1.00 0.00 C ATOM 824 CD1 PHE A 49 29.519 29.003 24.248 1.00 0.00 C ATOM 825 CD2 PHE A 49 31.792 28.399 24.879 1.00 0.00 C ATOM 826 CE1 PHE A 49 29.030 27.855 24.889 1.00 0.00 C ATOM 827 CE2 PHE A 49 31.306 27.233 25.495 1.00 0.00 C ATOM 828 CZ PHE A 49 29.927 26.959 25.489 1.00 0.00 C ATOM 0 H PHE A 49 31.438 29.270 21.411 1.00 0.00 H new ATOM 0 HA PHE A 49 29.643 31.165 22.494 1.00 0.00 H new ATOM 0 HB2 PHE A 49 32.475 30.361 23.315 1.00 0.00 H new ATOM 0 HB3 PHE A 49 31.405 31.331 24.307 1.00 0.00 H new ATOM 0 HD1 PHE A 49 28.832 29.684 23.767 1.00 0.00 H new ATOM 0 HD2 PHE A 49 32.848 28.625 24.905 1.00 0.00 H new ATOM 0 HE1 PHE A 49 27.968 27.662 24.920 1.00 0.00 H new ATOM 0 HE2 PHE A 49 31.991 26.548 25.972 1.00 0.00 H new ATOM 0 HZ PHE A 49 29.557 26.054 25.948 1.00 0.00 H new ATOM 838 N LEU A 50 31.999 32.548 20.822 1.00 0.00 N ATOM 839 CA LEU A 50 32.291 33.872 20.261 1.00 0.00 C ATOM 840 C LEU A 50 31.005 34.553 19.784 1.00 0.00 C ATOM 841 O LEU A 50 30.791 35.730 20.068 1.00 0.00 O ATOM 842 CB LEU A 50 33.294 33.799 19.101 1.00 0.00 C ATOM 843 CG LEU A 50 34.684 33.221 19.415 1.00 0.00 C ATOM 844 CD1 LEU A 50 35.610 33.448 18.222 1.00 0.00 C ATOM 845 CD2 LEU A 50 35.357 33.859 20.629 1.00 0.00 C ATOM 0 H LEU A 50 32.405 31.770 20.302 1.00 0.00 H new ATOM 0 HA LEU A 50 32.741 34.461 21.060 1.00 0.00 H new ATOM 0 HB2 LEU A 50 32.850 33.200 18.306 1.00 0.00 H new ATOM 0 HB3 LEU A 50 33.427 34.806 18.705 1.00 0.00 H new ATOM 0 HG LEU A 50 34.524 32.164 19.629 1.00 0.00 H new ATOM 0 HD11 LEU A 50 36.596 33.039 18.443 1.00 0.00 H new ATOM 0 HD12 LEU A 50 35.200 32.951 17.343 1.00 0.00 H new ATOM 0 HD13 LEU A 50 35.697 34.517 18.027 1.00 0.00 H new ATOM 0 HD21 LEU A 50 36.333 33.400 20.787 1.00 0.00 H new ATOM 0 HD22 LEU A 50 35.483 34.928 20.455 1.00 0.00 H new ATOM 0 HD23 LEU A 50 34.736 33.706 21.512 1.00 0.00 H new ATOM 857 N GLU A 51 30.172 33.802 19.063 1.00 0.00 N ATOM 858 CA GLU A 51 28.907 34.303 18.521 1.00 0.00 C ATOM 859 C GLU A 51 27.984 34.722 19.655 1.00 0.00 C ATOM 860 O GLU A 51 27.273 35.722 19.566 1.00 0.00 O ATOM 861 CB GLU A 51 28.231 33.232 17.665 1.00 0.00 C ATOM 862 CG GLU A 51 29.067 32.770 16.482 1.00 0.00 C ATOM 863 CD GLU A 51 29.426 33.904 15.543 1.00 0.00 C ATOM 864 OE1 GLU A 51 28.987 35.046 15.793 1.00 0.00 O ATOM 865 OE2 GLU A 51 30.147 33.654 14.554 1.00 0.00 O ATOM 0 H GLU A 51 30.356 32.824 18.837 1.00 0.00 H new ATOM 0 HA GLU A 51 29.116 35.169 17.894 1.00 0.00 H new ATOM 0 HB2 GLU A 51 28.001 32.371 18.293 1.00 0.00 H new ATOM 0 HB3 GLU A 51 27.282 33.621 17.297 1.00 0.00 H new ATOM 0 HG2 GLU A 51 29.981 32.303 16.848 1.00 0.00 H new ATOM 0 HG3 GLU A 51 28.518 32.006 15.930 1.00 0.00 H new ATOM 872 N LEU A 52 28.011 33.933 20.727 1.00 0.00 N ATOM 873 CA LEU A 52 27.233 34.175 21.945 1.00 0.00 C ATOM 874 C LEU A 52 27.643 35.464 22.673 1.00 0.00 C ATOM 875 O LEU A 52 26.812 36.059 23.371 1.00 0.00 O ATOM 876 CB LEU A 52 27.362 32.984 22.898 1.00 0.00 C ATOM 877 CG LEU A 52 26.497 31.770 22.558 1.00 0.00 C ATOM 878 CD1 LEU A 52 26.476 30.789 23.720 1.00 0.00 C ATOM 879 CD2 LEU A 52 25.084 32.202 22.192 1.00 0.00 C ATOM 0 H LEU A 52 28.584 33.091 20.777 1.00 0.00 H new ATOM 0 HA LEU A 52 26.196 34.297 21.633 1.00 0.00 H new ATOM 0 HB2 LEU A 52 28.406 32.670 22.919 1.00 0.00 H new ATOM 0 HB3 LEU A 52 27.109 33.318 23.904 1.00 0.00 H new ATOM 0 HG LEU A 52 26.933 31.269 21.694 1.00 0.00 H new ATOM 0 HD11 LEU A 52 25.856 29.931 23.461 1.00 0.00 H new ATOM 0 HD12 LEU A 52 27.491 30.452 23.930 1.00 0.00 H new ATOM 0 HD13 LEU A 52 26.066 31.279 24.603 1.00 0.00 H new ATOM 0 HD21 LEU A 52 24.485 31.323 21.954 1.00 0.00 H new ATOM 0 HD22 LEU A 52 24.635 32.729 23.034 1.00 0.00 H new ATOM 0 HD23 LEU A 52 25.118 32.863 21.326 1.00 0.00 H new ATOM 891 N GLN A 53 28.948 35.765 22.556 1.00 0.00 N ATOM 892 CA GLN A 53 29.739 36.899 23.095 1.00 0.00 C ATOM 893 C GLN A 53 30.282 36.555 24.470 1.00 0.00 C ATOM 894 O GLN A 53 31.066 37.312 25.043 1.00 0.00 O ATOM 895 CB GLN A 53 29.064 38.288 23.057 1.00 0.00 C ATOM 896 CG GLN A 53 28.674 38.751 21.662 1.00 0.00 C ATOM 897 CD GLN A 53 28.135 40.168 21.646 1.00 0.00 C ATOM 898 OE1 GLN A 53 28.549 40.972 22.619 1.00 0.00 O flip ATOM 899 NE2 GLN A 53 27.354 40.537 20.768 1.00 0.00 N flip ATOM 0 H GLN A 53 29.553 35.146 22.016 1.00 0.00 H new ATOM 0 HA GLN A 53 30.566 37.023 22.395 1.00 0.00 H new ATOM 0 HB2 GLN A 53 28.172 38.264 23.683 1.00 0.00 H new ATOM 0 HB3 GLN A 53 29.741 39.021 23.495 1.00 0.00 H new ATOM 0 HG2 GLN A 53 29.543 38.690 21.007 1.00 0.00 H new ATOM 0 HG3 GLN A 53 27.921 38.075 21.257 1.00 0.00 H new ATOM 0 HE21 GLN A 53 27.062 39.886 20.039 1.00 0.00 H new ATOM 0 HE22 GLN A 53 26.999 41.493 20.770 1.00 0.00 H new ATOM 908 N TYR A 54 29.866 35.411 25.001 1.00 0.00 N ATOM 909 CA TYR A 54 30.442 34.966 26.274 1.00 0.00 C ATOM 910 C TYR A 54 31.947 34.733 26.216 1.00 0.00 C ATOM 911 O TYR A 54 32.598 34.884 27.243 1.00 0.00 O ATOM 912 CB TYR A 54 29.726 33.698 26.765 1.00 0.00 C ATOM 913 CG TYR A 54 28.218 33.827 26.876 1.00 0.00 C ATOM 914 CD1 TYR A 54 27.644 35.054 27.264 1.00 0.00 C ATOM 915 CD2 TYR A 54 27.390 32.738 26.537 1.00 0.00 C ATOM 916 CE1 TYR A 54 26.253 35.226 27.248 1.00 0.00 C ATOM 917 CE2 TYR A 54 25.988 32.902 26.534 1.00 0.00 C ATOM 918 CZ TYR A 54 25.427 34.159 26.851 1.00 0.00 C ATOM 919 OH TYR A 54 24.092 34.373 26.749 1.00 0.00 O ATOM 0 H TYR A 54 29.163 34.794 24.595 1.00 0.00 H new ATOM 0 HA TYR A 54 30.287 35.780 26.982 1.00 0.00 H new ATOM 0 HB2 TYR A 54 29.958 32.879 26.085 1.00 0.00 H new ATOM 0 HB3 TYR A 54 30.127 33.425 27.741 1.00 0.00 H new ATOM 0 HD1 TYR A 54 28.281 35.868 27.576 1.00 0.00 H new ATOM 0 HD2 TYR A 54 27.826 31.784 26.281 1.00 0.00 H new ATOM 0 HE1 TYR A 54 25.819 36.171 27.538 1.00 0.00 H new ATOM 0 HE2 TYR A 54 25.346 32.069 26.290 1.00 0.00 H new ATOM 0 HH TYR A 54 23.649 33.547 26.464 1.00 0.00 H new ATOM 929 N VAL A 55 32.506 34.399 25.049 1.00 0.00 N ATOM 930 CA VAL A 55 33.955 34.254 24.856 1.00 0.00 C ATOM 931 C VAL A 55 34.447 35.245 23.802 1.00 0.00 C ATOM 932 O VAL A 55 33.730 35.684 22.899 1.00 0.00 O ATOM 933 CB VAL A 55 34.369 32.798 24.547 1.00 0.00 C ATOM 934 CG1 VAL A 55 35.875 32.555 24.465 1.00 0.00 C ATOM 935 CG2 VAL A 55 33.834 31.805 25.591 1.00 0.00 C ATOM 0 H VAL A 55 31.963 34.220 24.204 1.00 0.00 H new ATOM 0 HA VAL A 55 34.447 34.496 25.798 1.00 0.00 H new ATOM 0 HB VAL A 55 33.929 32.634 23.563 1.00 0.00 H new ATOM 0 HG11 VAL A 55 36.063 31.504 24.244 1.00 0.00 H new ATOM 0 HG12 VAL A 55 36.301 33.173 23.675 1.00 0.00 H new ATOM 0 HG13 VAL A 55 36.338 32.814 25.417 1.00 0.00 H new ATOM 0 HG21 VAL A 55 34.152 30.796 25.329 1.00 0.00 H new ATOM 0 HG22 VAL A 55 34.225 32.065 26.575 1.00 0.00 H new ATOM 0 HG23 VAL A 55 32.745 31.849 25.610 1.00 0.00 H new ATOM 945 N LYS A 56 35.716 35.589 23.936 1.00 0.00 N ATOM 946 CA LYS A 56 36.492 36.548 23.137 1.00 0.00 C ATOM 947 C LYS A 56 37.960 36.110 23.080 1.00 0.00 C ATOM 948 O LYS A 56 38.378 35.170 23.753 1.00 0.00 O ATOM 949 CB LYS A 56 36.350 37.959 23.745 1.00 0.00 C ATOM 950 CG LYS A 56 34.976 38.652 23.619 1.00 0.00 C ATOM 951 CD LYS A 56 34.549 39.061 22.197 1.00 0.00 C ATOM 952 CE LYS A 56 33.189 39.753 22.032 1.00 0.00 C ATOM 953 NZ LYS A 56 33.116 41.081 22.689 1.00 0.00 N1+ ATOM 0 H LYS A 56 36.289 35.172 24.670 1.00 0.00 H new ATOM 0 HA LYS A 56 36.109 36.575 22.117 1.00 0.00 H new ATOM 0 HB2 LYS A 56 36.600 37.896 24.804 1.00 0.00 H new ATOM 0 HB3 LYS A 56 37.096 38.603 23.279 1.00 0.00 H new ATOM 0 HG2 LYS A 56 34.217 37.984 24.026 1.00 0.00 H new ATOM 0 HG3 LYS A 56 34.984 39.545 24.245 1.00 0.00 H new ATOM 0 HD2 LYS A 56 35.314 39.725 21.795 1.00 0.00 H new ATOM 0 HD3 LYS A 56 34.547 38.165 21.577 1.00 0.00 H new ATOM 0 HE2 LYS A 56 32.977 39.870 20.969 1.00 0.00 H new ATOM 0 HE3 LYS A 56 32.411 39.110 22.443 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 32.172 41.491 22.539 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 33.288 40.974 23.709 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 33.836 41.710 22.281 1.00 0.00 H new ATOM 967 N GLU A 57 38.730 36.765 22.225 1.00 0.00 N ATOM 968 CA GLU A 57 40.051 36.334 21.758 1.00 0.00 C ATOM 969 C GLU A 57 40.882 37.547 21.333 1.00 0.00 C ATOM 970 O GLU A 57 40.313 38.555 20.922 1.00 0.00 O ATOM 971 CB GLU A 57 39.890 35.340 20.593 1.00 0.00 C ATOM 972 CG GLU A 57 39.214 35.896 19.319 1.00 0.00 C ATOM 973 CD GLU A 57 39.286 34.974 18.102 1.00 0.00 C ATOM 974 OE1 GLU A 57 40.134 34.057 18.102 1.00 0.00 O ATOM 975 OE2 GLU A 57 38.436 35.124 17.191 1.00 0.00 O ATOM 0 H GLU A 57 38.443 37.654 21.815 1.00 0.00 H new ATOM 0 HA GLU A 57 40.577 35.833 22.571 1.00 0.00 H new ATOM 0 HB2 GLU A 57 40.877 34.964 20.323 1.00 0.00 H new ATOM 0 HB3 GLU A 57 39.310 34.487 20.946 1.00 0.00 H new ATOM 0 HG2 GLU A 57 38.167 36.101 19.540 1.00 0.00 H new ATOM 0 HG3 GLU A 57 39.679 36.848 19.064 1.00 0.00 H new ATOM 1076 N LYS A 65 47.833 31.149 21.237 1.00 0.00 N ATOM 1077 CA LYS A 65 46.597 31.910 21.364 1.00 0.00 C ATOM 1078 C LYS A 65 45.803 31.489 22.592 1.00 0.00 C ATOM 1079 O LYS A 65 45.926 30.365 23.079 1.00 0.00 O ATOM 1080 CB LYS A 65 45.741 31.739 20.108 1.00 0.00 C ATOM 1081 CG LYS A 65 45.587 30.297 19.654 1.00 0.00 C ATOM 1082 CD LYS A 65 44.802 30.207 18.355 1.00 0.00 C ATOM 1083 CE LYS A 65 43.613 31.155 18.360 1.00 0.00 C ATOM 1084 NZ LYS A 65 42.834 31.086 17.093 1.00 0.00 N1+ ATOM 0 HA LYS A 65 46.866 32.960 21.481 1.00 0.00 H new ATOM 0 HB2 LYS A 65 44.752 32.157 20.296 1.00 0.00 H new ATOM 0 HB3 LYS A 65 46.184 32.318 19.298 1.00 0.00 H new ATOM 0 HG2 LYS A 65 46.571 29.849 19.518 1.00 0.00 H new ATOM 0 HG3 LYS A 65 45.080 29.722 20.429 1.00 0.00 H new ATOM 0 HD2 LYS A 65 45.456 30.445 17.516 1.00 0.00 H new ATOM 0 HD3 LYS A 65 44.454 29.185 18.208 1.00 0.00 H new ATOM 0 HE2 LYS A 65 42.961 30.913 19.199 1.00 0.00 H new ATOM 0 HE3 LYS A 65 43.964 32.175 18.513 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 42.034 31.748 17.141 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 43.448 31.342 16.294 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 42.475 30.119 16.958 1.00 0.00 H new ATOM 1098 N THR A 66 44.985 32.413 23.081 1.00 0.00 N ATOM 1099 CA THR A 66 44.186 32.180 24.285 1.00 0.00 C ATOM 1100 C THR A 66 42.876 32.961 24.234 1.00 0.00 C ATOM 1101 O THR A 66 42.753 33.925 23.471 1.00 0.00 O ATOM 1102 CB THR A 66 45.044 32.530 25.500 1.00 0.00 C ATOM 1103 OG1 THR A 66 44.486 32.016 26.676 1.00 0.00 O ATOM 1104 CG2 THR A 66 45.271 34.030 25.702 1.00 0.00 C ATOM 0 H THR A 66 44.855 33.334 22.663 1.00 0.00 H new ATOM 0 HA THR A 66 43.896 31.132 24.356 1.00 0.00 H new ATOM 0 HB THR A 66 46.011 32.073 25.289 1.00 0.00 H new ATOM 0 HG1 THR A 66 45.055 32.252 27.438 1.00 0.00 H new ATOM 0 HG21 THR A 66 45.889 34.189 26.586 1.00 0.00 H new ATOM 0 HG22 THR A 66 45.775 34.443 24.828 1.00 0.00 H new ATOM 0 HG23 THR A 66 44.311 34.528 25.837 1.00 0.00 H new ATOM 1112 N PHE A 67 41.899 32.517 25.019 1.00 0.00 N ATOM 1113 CA PHE A 67 40.516 33.000 24.996 1.00 0.00 C ATOM 1114 C PHE A 67 40.099 33.447 26.404 1.00 0.00 C ATOM 1115 O PHE A 67 40.506 32.834 27.389 1.00 0.00 O ATOM 1116 CB PHE A 67 39.590 31.904 24.414 1.00 0.00 C ATOM 1117 CG PHE A 67 39.906 31.527 22.974 1.00 0.00 C ATOM 1118 CD1 PHE A 67 41.019 30.716 22.669 1.00 0.00 C ATOM 1119 CD2 PHE A 67 39.110 32.027 21.928 1.00 0.00 C ATOM 1120 CE1 PHE A 67 41.378 30.477 21.330 1.00 0.00 C ATOM 1121 CE2 PHE A 67 39.443 31.754 20.589 1.00 0.00 C ATOM 1122 CZ PHE A 67 40.586 30.994 20.290 1.00 0.00 C ATOM 0 H PHE A 67 42.050 31.786 25.714 1.00 0.00 H new ATOM 0 HA PHE A 67 40.429 33.871 24.346 1.00 0.00 H new ATOM 0 HB2 PHE A 67 39.664 31.012 25.037 1.00 0.00 H new ATOM 0 HB3 PHE A 67 38.557 32.248 24.470 1.00 0.00 H new ATOM 0 HD1 PHE A 67 41.598 30.276 23.467 1.00 0.00 H new ATOM 0 HD2 PHE A 67 38.239 32.624 22.154 1.00 0.00 H new ATOM 0 HE1 PHE A 67 42.260 29.898 21.101 1.00 0.00 H new ATOM 0 HE2 PHE A 67 38.820 32.129 19.791 1.00 0.00 H new ATOM 0 HZ PHE A 67 40.856 30.807 19.261 1.00 0.00 H new ATOM 1132 N TYR A 68 39.299 34.508 26.515 1.00 0.00 N ATOM 1133 CA TYR A 68 38.792 35.034 27.795 1.00 0.00 C ATOM 1134 C TYR A 68 37.265 35.179 27.753 1.00 0.00 C ATOM 1135 O TYR A 68 36.662 35.126 26.676 1.00 0.00 O ATOM 1136 CB TYR A 68 39.497 36.351 28.167 1.00 0.00 C ATOM 1137 CG TYR A 68 39.052 37.557 27.368 1.00 0.00 C ATOM 1138 CD1 TYR A 68 37.825 38.177 27.675 1.00 0.00 C ATOM 1139 CD2 TYR A 68 39.852 38.049 26.317 1.00 0.00 C ATOM 1140 CE1 TYR A 68 37.368 39.251 26.893 1.00 0.00 C ATOM 1141 CE2 TYR A 68 39.412 39.150 25.553 1.00 0.00 C ATOM 1142 CZ TYR A 68 38.158 39.741 25.835 1.00 0.00 C ATOM 1143 OH TYR A 68 37.665 40.737 25.059 1.00 0.00 O ATOM 0 H TYR A 68 38.976 35.040 25.707 1.00 0.00 H new ATOM 0 HA TYR A 68 39.025 34.319 28.584 1.00 0.00 H new ATOM 0 HB2 TYR A 68 39.328 36.551 29.225 1.00 0.00 H new ATOM 0 HB3 TYR A 68 40.571 36.222 28.035 1.00 0.00 H new ATOM 0 HD1 TYR A 68 37.236 37.827 28.510 1.00 0.00 H new ATOM 0 HD2 TYR A 68 40.801 37.583 26.097 1.00 0.00 H new ATOM 0 HE1 TYR A 68 36.409 39.702 27.104 1.00 0.00 H new ATOM 0 HE2 TYR A 68 40.029 39.540 24.757 1.00 0.00 H new ATOM 0 HH TYR A 68 38.322 40.972 24.371 1.00 0.00 H new ATOM 1153 N ILE A 69 36.636 35.317 28.924 1.00 0.00 N ATOM 1154 CA ILE A 69 35.173 35.373 29.071 1.00 0.00 C ATOM 1155 C ILE A 69 34.720 36.786 29.467 1.00 0.00 C ATOM 1156 O ILE A 69 35.319 37.437 30.321 1.00 0.00 O ATOM 1157 CB ILE A 69 34.671 34.265 30.031 1.00 0.00 C ATOM 1158 CG1 ILE A 69 34.608 32.869 29.369 1.00 0.00 C ATOM 1159 CG2 ILE A 69 33.253 34.536 30.581 1.00 0.00 C ATOM 1160 CD1 ILE A 69 35.929 32.293 28.851 1.00 0.00 C ATOM 0 H ILE A 69 37.133 35.394 29.811 1.00 0.00 H new ATOM 0 HA ILE A 69 34.708 35.166 28.107 1.00 0.00 H new ATOM 0 HB ILE A 69 35.408 34.279 30.834 1.00 0.00 H new ATOM 0 HG12 ILE A 69 34.192 32.168 30.092 1.00 0.00 H new ATOM 0 HG13 ILE A 69 33.908 32.919 28.535 1.00 0.00 H new ATOM 0 HG21 ILE A 69 32.960 33.724 31.246 1.00 0.00 H new ATOM 0 HG22 ILE A 69 33.250 35.476 31.132 1.00 0.00 H new ATOM 0 HG23 ILE A 69 32.547 34.599 29.753 1.00 0.00 H new ATOM 0 HD11 ILE A 69 35.750 31.312 28.410 1.00 0.00 H new ATOM 0 HD12 ILE A 69 36.345 32.960 28.096 1.00 0.00 H new ATOM 0 HD13 ILE A 69 36.633 32.197 29.678 1.00 0.00 H new ATOM 1172 N THR A 70 33.651 37.269 28.835 1.00 0.00 N ATOM 1173 CA THR A 70 33.070 38.594 29.056 1.00 0.00 C ATOM 1174 C THR A 70 32.134 38.624 30.281 1.00 0.00 C ATOM 1175 O THR A 70 31.530 37.604 30.644 1.00 0.00 O ATOM 1176 CB THR A 70 32.284 39.011 27.802 1.00 0.00 C ATOM 1177 OG1 THR A 70 31.245 38.102 27.531 1.00 0.00 O ATOM 1178 CG2 THR A 70 33.163 39.104 26.557 1.00 0.00 C ATOM 0 H THR A 70 33.148 36.730 28.130 1.00 0.00 H new ATOM 0 HA THR A 70 33.886 39.290 29.251 1.00 0.00 H new ATOM 0 HB THR A 70 31.882 39.999 28.024 1.00 0.00 H new ATOM 0 HG1 THR A 70 31.246 37.878 26.577 1.00 0.00 H new ATOM 0 HG21 THR A 70 32.554 39.402 25.703 1.00 0.00 H new ATOM 0 HG22 THR A 70 33.947 39.844 26.720 1.00 0.00 H new ATOM 0 HG23 THR A 70 33.616 38.133 26.358 1.00 0.00 H new ATOM 1186 N PRO A 71 31.913 39.801 30.908 1.00 0.00 N ATOM 1187 CA PRO A 71 30.935 39.943 31.992 1.00 0.00 C ATOM 1188 C PRO A 71 29.505 39.582 31.551 1.00 0.00 C ATOM 1189 O PRO A 71 28.719 39.107 32.370 1.00 0.00 O ATOM 1190 CB PRO A 71 31.033 41.406 32.441 1.00 0.00 C ATOM 1191 CG PRO A 71 31.507 42.122 31.178 1.00 0.00 C ATOM 1192 CD PRO A 71 32.483 41.105 30.589 1.00 0.00 C ATOM 0 HA PRO A 71 31.155 39.252 32.805 1.00 0.00 H new ATOM 0 HB2 PRO A 71 30.072 41.788 32.785 1.00 0.00 H new ATOM 0 HB3 PRO A 71 31.738 41.529 33.263 1.00 0.00 H new ATOM 0 HG2 PRO A 71 30.683 42.339 30.498 1.00 0.00 H new ATOM 0 HG3 PRO A 71 31.993 43.071 31.404 1.00 0.00 H new ATOM 0 HD2 PRO A 71 32.587 41.237 29.512 1.00 0.00 H new ATOM 0 HD3 PRO A 71 33.477 41.217 31.021 1.00 0.00 H new ATOM 1200 N ASN A 72 29.194 39.710 30.252 1.00 0.00 N ATOM 1201 CA ASN A 72 27.903 39.332 29.671 1.00 0.00 C ATOM 1202 C ASN A 72 27.519 37.863 29.953 1.00 0.00 C ATOM 1203 O ASN A 72 26.334 37.547 30.043 1.00 0.00 O ATOM 1204 CB ASN A 72 27.943 39.582 28.148 1.00 0.00 C ATOM 1205 CG ASN A 72 28.240 41.019 27.757 1.00 0.00 C ATOM 1206 OD1 ASN A 72 29.334 41.366 27.337 1.00 0.00 O ATOM 1207 ND2 ASN A 72 27.277 41.899 27.885 1.00 0.00 N ATOM 0 H ASN A 72 29.848 40.087 29.565 1.00 0.00 H new ATOM 0 HA ASN A 72 27.139 39.949 30.144 1.00 0.00 H new ATOM 0 HB2 ASN A 72 28.699 38.934 27.705 1.00 0.00 H new ATOM 0 HB3 ASN A 72 26.984 39.292 27.719 1.00 0.00 H new ATOM 0 HD21 ASN A 72 27.440 42.874 27.634 1.00 0.00 H new ATOM 0 HD22 ASN A 72 26.364 41.609 28.236 1.00 0.00 H new ATOM 1214 N GLY A 73 28.505 36.965 30.109 1.00 0.00 N ATOM 1215 CA GLY A 73 28.268 35.575 30.514 1.00 0.00 C ATOM 1216 C GLY A 73 28.298 35.357 32.029 1.00 0.00 C ATOM 1217 O GLY A 73 27.508 34.560 32.529 1.00 0.00 O ATOM 0 H GLY A 73 29.489 37.185 29.957 1.00 0.00 H new ATOM 0 HA2 GLY A 73 27.299 35.255 30.130 1.00 0.00 H new ATOM 0 HA3 GLY A 73 29.021 34.938 30.050 1.00 0.00 H new ATOM 1221 N ILE A 74 29.125 36.092 32.787 1.00 0.00 N ATOM 1222 CA ILE A 74 29.136 36.040 34.264 1.00 0.00 C ATOM 1223 C ILE A 74 27.759 36.368 34.851 1.00 0.00 C ATOM 1224 O ILE A 74 27.328 35.712 35.798 1.00 0.00 O ATOM 1225 CB ILE A 74 30.220 36.968 34.852 1.00 0.00 C ATOM 1226 CG1 ILE A 74 31.596 36.343 34.552 1.00 0.00 C ATOM 1227 CG2 ILE A 74 30.065 37.181 36.374 1.00 0.00 C ATOM 1228 CD1 ILE A 74 32.763 37.281 34.856 1.00 0.00 C ATOM 0 H ILE A 74 29.808 36.742 32.397 1.00 0.00 H new ATOM 0 HA ILE A 74 29.381 35.016 34.547 1.00 0.00 H new ATOM 0 HB ILE A 74 30.118 37.950 34.389 1.00 0.00 H new ATOM 0 HG12 ILE A 74 31.709 35.431 35.138 1.00 0.00 H new ATOM 0 HG13 ILE A 74 31.635 36.054 33.502 1.00 0.00 H new ATOM 0 HG21 ILE A 74 30.855 37.842 36.731 1.00 0.00 H new ATOM 0 HG22 ILE A 74 29.094 37.631 36.581 1.00 0.00 H new ATOM 0 HG23 ILE A 74 30.137 36.221 36.885 1.00 0.00 H new ATOM 0 HD11 ILE A 74 33.703 36.780 34.623 1.00 0.00 H new ATOM 0 HD12 ILE A 74 32.672 38.183 34.250 1.00 0.00 H new ATOM 0 HD13 ILE A 74 32.748 37.550 35.912 1.00 0.00 H new ATOM 1240 N GLU A 75 27.042 37.324 34.257 1.00 0.00 N ATOM 1241 CA GLU A 75 25.649 37.649 34.594 1.00 0.00 C ATOM 1242 C GLU A 75 24.737 36.413 34.534 1.00 0.00 C ATOM 1243 O GLU A 75 23.924 36.183 35.430 1.00 0.00 O ATOM 1244 CB GLU A 75 25.148 38.722 33.616 1.00 0.00 C ATOM 1245 CG GLU A 75 25.811 40.082 33.905 1.00 0.00 C ATOM 1246 CD GLU A 75 25.519 41.156 32.851 1.00 0.00 C ATOM 1247 OE1 GLU A 75 25.831 42.342 33.123 1.00 0.00 O ATOM 1248 OE2 GLU A 75 24.937 40.846 31.785 1.00 0.00 O ATOM 0 H GLU A 75 27.419 37.909 33.511 1.00 0.00 H new ATOM 0 HA GLU A 75 25.617 38.019 35.619 1.00 0.00 H new ATOM 0 HB2 GLU A 75 25.366 38.417 32.592 1.00 0.00 H new ATOM 0 HB3 GLU A 75 24.065 38.816 33.697 1.00 0.00 H new ATOM 0 HG2 GLU A 75 25.472 40.440 34.877 1.00 0.00 H new ATOM 0 HG3 GLU A 75 26.890 39.941 33.976 1.00 0.00 H new ATOM 1255 N LYS A 76 24.929 35.548 33.532 1.00 0.00 N ATOM 1256 CA LYS A 76 24.175 34.294 33.395 1.00 0.00 C ATOM 1257 C LYS A 76 24.517 33.311 34.512 1.00 0.00 C ATOM 1258 O LYS A 76 23.619 32.652 35.028 1.00 0.00 O ATOM 1259 CB LYS A 76 24.413 33.663 32.010 1.00 0.00 C ATOM 1260 CG LYS A 76 24.301 34.630 30.818 1.00 0.00 C ATOM 1261 CD LYS A 76 23.050 35.512 30.887 1.00 0.00 C ATOM 1262 CE LYS A 76 22.657 36.113 29.541 1.00 0.00 C ATOM 1263 NZ LYS A 76 22.089 35.095 28.627 1.00 0.00 N1+ ATOM 0 H LYS A 76 25.613 35.697 32.790 1.00 0.00 H new ATOM 0 HA LYS A 76 23.115 34.532 33.483 1.00 0.00 H new ATOM 0 HB2 LYS A 76 25.406 33.213 32.000 1.00 0.00 H new ATOM 0 HB3 LYS A 76 23.696 32.855 31.869 1.00 0.00 H new ATOM 0 HG2 LYS A 76 25.187 35.265 30.786 1.00 0.00 H new ATOM 0 HG3 LYS A 76 24.286 34.057 29.891 1.00 0.00 H new ATOM 0 HD2 LYS A 76 22.218 34.920 31.269 1.00 0.00 H new ATOM 0 HD3 LYS A 76 23.222 36.318 31.600 1.00 0.00 H new ATOM 0 HE2 LYS A 76 21.928 36.908 29.697 1.00 0.00 H new ATOM 0 HE3 LYS A 76 23.532 36.569 29.078 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 21.276 35.499 28.120 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 22.814 34.801 27.941 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 21.778 34.269 29.177 1.00 0.00 H new ATOM 1277 N LEU A 77 25.779 33.278 34.956 1.00 0.00 N ATOM 1278 CA LEU A 77 26.228 32.465 36.098 1.00 0.00 C ATOM 1279 C LEU A 77 25.497 32.843 37.402 1.00 0.00 C ATOM 1280 O LEU A 77 25.302 31.985 38.256 1.00 0.00 O ATOM 1281 CB LEU A 77 27.757 32.536 36.295 1.00 0.00 C ATOM 1282 CG LEU A 77 28.613 32.404 35.025 1.00 0.00 C ATOM 1283 CD1 LEU A 77 30.091 32.594 35.363 1.00 0.00 C ATOM 1284 CD2 LEU A 77 28.429 31.085 34.277 1.00 0.00 C ATOM 0 H LEU A 77 26.529 33.821 34.528 1.00 0.00 H new ATOM 0 HA LEU A 77 25.969 31.434 35.857 1.00 0.00 H new ATOM 0 HB2 LEU A 77 27.997 33.486 36.772 1.00 0.00 H new ATOM 0 HB3 LEU A 77 28.050 31.748 36.989 1.00 0.00 H new ATOM 0 HG LEU A 77 28.264 33.189 34.355 1.00 0.00 H new ATOM 0 HD11 LEU A 77 30.687 32.498 34.455 1.00 0.00 H new ATOM 0 HD12 LEU A 77 30.241 33.584 35.793 1.00 0.00 H new ATOM 0 HD13 LEU A 77 30.400 31.835 36.082 1.00 0.00 H new ATOM 0 HD21 LEU A 77 29.069 31.075 33.395 1.00 0.00 H new ATOM 0 HD22 LEU A 77 28.699 30.255 34.931 1.00 0.00 H new ATOM 0 HD23 LEU A 77 27.388 30.982 33.971 1.00 0.00 H new