USER MOD reduce.3.24.130724 H: found=0, std=0, add=581, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 581 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 168:sc= -0.859! (180deg=-1.04!) USER MOD Single : A 2 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 GLN : amide:sc= -1.38 K(o=-1.4,f=-5.1!) USER MOD Single : A 7 TYR OH : rot 180:sc= -0.103 USER MOD Single : A 9 THR OG1 : rot 180:sc=-0.00394 USER MOD Single : A 11 CYS SG : rot 180:sc= 0 USER MOD Single : A 13 ASN : amide:sc= -0.113 K(o=-0.11,f=-1.5!) USER MOD Single : A 14 CYS SG : rot -150:sc= -1.77 USER MOD Single : A 15 GLN : amide:sc= -0.011 X(o=-0.011,f=0) USER MOD Single : A 16 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 ASN : amide:sc= -2.12 K(o=-2.1,f=-2.9) USER MOD Single : A 26 LYS NZ :NH3+ 153:sc= 0 (180deg=-0.321) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ 154:sc= -0.0597 (180deg=-0.383) USER MOD Single : A 40 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 42 GLN : amide:sc= -2.69 K(o=-2.7,f=-4.8!) USER MOD Single : A 49 THR OG1 : rot -67:sc= 0.914 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 MET CE :methyl 140:sc= -0.044 (180deg=-0.666) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 4.696 -10.421 -8.084 1.00 0.00 N ATOM 2 CA MET A 1 5.236 -9.038 -8.163 1.00 0.00 C ATOM 3 C MET A 1 4.116 -8.005 -8.110 1.00 0.00 C ATOM 4 O MET A 1 3.802 -7.368 -9.114 1.00 0.00 O ATOM 5 CB MET A 1 6.023 -8.897 -9.468 1.00 0.00 C ATOM 6 CG MET A 1 7.141 -9.916 -9.619 1.00 0.00 C ATOM 7 SD MET A 1 7.445 -10.362 -11.339 1.00 0.00 S ATOM 8 CE MET A 1 9.182 -10.795 -11.276 1.00 0.00 C ATOM 0 H1 MET A 1 5.446 -11.101 -8.324 1.00 0.00 H new ATOM 0 H2 MET A 1 4.357 -10.607 -7.119 1.00 0.00 H new ATOM 0 H3 MET A 1 3.907 -10.524 -8.754 1.00 0.00 H new ATOM 0 HA MET A 1 5.888 -8.859 -7.308 1.00 0.00 H new ATOM 0 HB2 MET A 1 5.336 -8.996 -10.309 1.00 0.00 H new ATOM 0 HB3 MET A 1 6.447 -7.894 -9.520 1.00 0.00 H new ATOM 0 HG2 MET A 1 8.056 -9.513 -9.185 1.00 0.00 H new ATOM 0 HG3 MET A 1 6.888 -10.813 -9.054 1.00 0.00 H new ATOM 0 HE1 MET A 1 9.519 -11.094 -12.269 1.00 0.00 H new ATOM 0 HE2 MET A 1 9.760 -9.934 -10.941 1.00 0.00 H new ATOM 0 HE3 MET A 1 9.326 -11.621 -10.580 1.00 0.00 H new ATOM 20 N MET A 2 3.512 -7.839 -6.934 1.00 0.00 N ATOM 21 CA MET A 2 2.431 -6.874 -6.781 1.00 0.00 C ATOM 22 C MET A 2 2.975 -5.448 -6.691 1.00 0.00 C ATOM 23 O MET A 2 3.649 -5.089 -5.727 1.00 0.00 O ATOM 24 CB MET A 2 1.598 -7.198 -5.538 1.00 0.00 C ATOM 25 CG MET A 2 0.109 -7.315 -5.820 1.00 0.00 C ATOM 26 SD MET A 2 -0.344 -8.916 -6.514 1.00 0.00 S ATOM 27 CE MET A 2 -2.131 -8.795 -6.505 1.00 0.00 C ATOM 0 H MET A 2 3.750 -8.353 -6.086 1.00 0.00 H new ATOM 0 HA MET A 2 1.794 -6.942 -7.663 1.00 0.00 H new ATOM 0 HB2 MET A 2 1.953 -8.134 -5.106 1.00 0.00 H new ATOM 0 HB3 MET A 2 1.758 -6.421 -4.790 1.00 0.00 H new ATOM 0 HG2 MET A 2 -0.445 -7.154 -4.895 1.00 0.00 H new ATOM 0 HG3 MET A 2 -0.189 -6.527 -6.511 1.00 0.00 H new ATOM 0 HE1 MET A 2 -2.560 -9.713 -6.907 1.00 0.00 H new ATOM 0 HE2 MET A 2 -2.481 -8.648 -5.483 1.00 0.00 H new ATOM 0 HE3 MET A 2 -2.442 -7.950 -7.120 1.00 0.00 H new ATOM 37 N LYS A 3 2.673 -4.635 -7.698 1.00 0.00 N ATOM 38 CA LYS A 3 3.126 -3.251 -7.712 1.00 0.00 C ATOM 39 C LYS A 3 2.358 -2.449 -6.674 1.00 0.00 C ATOM 40 O LYS A 3 1.214 -2.055 -6.895 1.00 0.00 O ATOM 41 CB LYS A 3 2.934 -2.633 -9.096 1.00 0.00 C ATOM 42 CG LYS A 3 4.141 -2.794 -10.007 1.00 0.00 C ATOM 43 CD LYS A 3 4.020 -4.032 -10.879 1.00 0.00 C ATOM 44 CE LYS A 3 4.952 -3.962 -12.077 1.00 0.00 C ATOM 45 NZ LYS A 3 4.333 -4.545 -13.299 1.00 0.00 N ATOM 0 H LYS A 3 2.120 -4.909 -8.510 1.00 0.00 H new ATOM 0 HA LYS A 3 4.189 -3.230 -7.471 1.00 0.00 H new ATOM 0 HB2 LYS A 3 2.067 -3.090 -9.572 1.00 0.00 H new ATOM 0 HB3 LYS A 3 2.713 -1.572 -8.983 1.00 0.00 H new ATOM 0 HG2 LYS A 3 4.242 -1.911 -10.639 1.00 0.00 H new ATOM 0 HG3 LYS A 3 5.047 -2.860 -9.404 1.00 0.00 H new ATOM 0 HD2 LYS A 3 4.251 -4.918 -10.288 1.00 0.00 H new ATOM 0 HD3 LYS A 3 2.991 -4.137 -11.223 1.00 0.00 H new ATOM 0 HE2 LYS A 3 5.221 -2.923 -12.267 1.00 0.00 H new ATOM 0 HE3 LYS A 3 5.876 -4.494 -11.849 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 5.001 -4.477 -14.093 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 4.099 -5.544 -13.127 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 3.465 -4.022 -13.532 1.00 0.00 H new ATOM 59 N ILE A 4 2.993 -2.229 -5.535 1.00 0.00 N ATOM 60 CA ILE A 4 2.375 -1.493 -4.442 1.00 0.00 C ATOM 61 C ILE A 4 2.976 -0.099 -4.313 1.00 0.00 C ATOM 62 O ILE A 4 4.193 0.062 -4.211 1.00 0.00 O ATOM 63 CB ILE A 4 2.520 -2.262 -3.115 1.00 0.00 C ATOM 64 CG1 ILE A 4 2.382 -3.776 -3.382 1.00 0.00 C ATOM 65 CG2 ILE A 4 1.498 -1.761 -2.102 1.00 0.00 C ATOM 66 CD1 ILE A 4 1.726 -4.580 -2.274 1.00 0.00 C ATOM 0 H ILE A 4 3.941 -2.551 -5.342 1.00 0.00 H new ATOM 0 HA ILE A 4 1.314 -1.389 -4.669 1.00 0.00 H new ATOM 0 HB ILE A 4 3.507 -2.085 -2.688 1.00 0.00 H new ATOM 0 HG12 ILE A 4 1.806 -3.914 -4.297 1.00 0.00 H new ATOM 0 HG13 ILE A 4 3.375 -4.186 -3.565 1.00 0.00 H new ATOM 0 HG21 ILE A 4 1.611 -2.312 -1.168 1.00 0.00 H new ATOM 0 HG22 ILE A 4 1.659 -0.699 -1.918 1.00 0.00 H new ATOM 0 HG23 ILE A 4 0.492 -1.913 -2.494 1.00 0.00 H new ATOM 0 HD11 ILE A 4 1.680 -5.630 -2.565 1.00 0.00 H new ATOM 0 HD12 ILE A 4 2.310 -4.482 -1.359 1.00 0.00 H new ATOM 0 HD13 ILE A 4 0.717 -4.206 -2.102 1.00 0.00 H new ATOM 78 N GLN A 5 2.110 0.909 -4.341 1.00 0.00 N ATOM 79 CA GLN A 5 2.540 2.302 -4.250 1.00 0.00 C ATOM 80 C GLN A 5 2.195 2.898 -2.886 1.00 0.00 C ATOM 81 O GLN A 5 1.045 2.847 -2.456 1.00 0.00 O ATOM 82 CB GLN A 5 1.878 3.125 -5.364 1.00 0.00 C ATOM 83 CG GLN A 5 1.601 2.333 -6.633 1.00 0.00 C ATOM 84 CD GLN A 5 2.840 1.643 -7.169 1.00 0.00 C ATOM 85 OE1 GLN A 5 3.936 1.804 -6.632 1.00 0.00 O ATOM 86 NE2 GLN A 5 2.671 0.869 -8.234 1.00 0.00 N ATOM 0 H GLN A 5 1.101 0.787 -4.426 1.00 0.00 H new ATOM 0 HA GLN A 5 3.623 2.333 -4.369 1.00 0.00 H new ATOM 0 HB2 GLN A 5 0.939 3.535 -4.991 1.00 0.00 H new ATOM 0 HB3 GLN A 5 2.520 3.971 -5.608 1.00 0.00 H new ATOM 0 HG2 GLN A 5 0.832 1.587 -6.431 1.00 0.00 H new ATOM 0 HG3 GLN A 5 1.203 3.002 -7.396 1.00 0.00 H new ATOM 0 HE21 GLN A 5 1.744 0.765 -8.647 1.00 0.00 H new ATOM 0 HE22 GLN A 5 3.468 0.379 -8.640 1.00 0.00 H new ATOM 95 N ILE A 6 3.195 3.461 -2.205 1.00 0.00 N ATOM 96 CA ILE A 6 2.978 4.056 -0.892 1.00 0.00 C ATOM 97 C ILE A 6 3.044 5.581 -0.947 1.00 0.00 C ATOM 98 O ILE A 6 4.129 6.159 -1.006 1.00 0.00 O ATOM 99 CB ILE A 6 4.020 3.551 0.125 1.00 0.00 C ATOM 100 CG1 ILE A 6 4.108 2.023 0.082 1.00 0.00 C ATOM 101 CG2 ILE A 6 3.677 4.033 1.527 1.00 0.00 C ATOM 102 CD1 ILE A 6 5.348 1.509 -0.618 1.00 0.00 C ATOM 0 H ILE A 6 4.156 3.516 -2.541 1.00 0.00 H new ATOM 0 HA ILE A 6 1.980 3.754 -0.574 1.00 0.00 H new ATOM 0 HB ILE A 6 4.994 3.959 -0.144 1.00 0.00 H new ATOM 0 HG12 ILE A 6 4.090 1.637 1.101 1.00 0.00 H new ATOM 0 HG13 ILE A 6 3.226 1.630 -0.424 1.00 0.00 H new ATOM 0 HG21 ILE A 6 4.424 3.666 2.231 1.00 0.00 H new ATOM 0 HG22 ILE A 6 3.666 5.123 1.545 1.00 0.00 H new ATOM 0 HG23 ILE A 6 2.695 3.656 1.811 1.00 0.00 H new ATOM 0 HD11 ILE A 6 5.344 0.419 -0.611 1.00 0.00 H new ATOM 0 HD12 ILE A 6 5.358 1.865 -1.648 1.00 0.00 H new ATOM 0 HD13 ILE A 6 6.235 1.872 -0.100 1.00 0.00 H new ATOM 114 N TYR A 7 1.881 6.231 -0.920 1.00 0.00 N ATOM 115 CA TYR A 7 1.826 7.686 -0.960 1.00 0.00 C ATOM 116 C TYR A 7 1.888 8.268 0.448 1.00 0.00 C ATOM 117 O TYR A 7 1.080 7.924 1.311 1.00 0.00 O ATOM 118 CB TYR A 7 0.554 8.152 -1.673 1.00 0.00 C ATOM 119 CG TYR A 7 0.406 7.588 -3.074 1.00 0.00 C ATOM 120 CD1 TYR A 7 1.038 8.169 -4.173 1.00 0.00 C ATOM 121 CD2 TYR A 7 -0.366 6.457 -3.292 1.00 0.00 C ATOM 122 CE1 TYR A 7 0.896 7.630 -5.440 1.00 0.00 C ATOM 123 CE2 TYR A 7 -0.511 5.915 -4.552 1.00 0.00 C ATOM 124 CZ TYR A 7 0.123 6.504 -5.624 1.00 0.00 C ATOM 125 OH TYR A 7 -0.017 5.968 -6.884 1.00 0.00 O ATOM 0 H TYR A 7 0.971 5.773 -0.871 1.00 0.00 H new ATOM 0 HA TYR A 7 2.691 8.046 -1.518 1.00 0.00 H new ATOM 0 HB2 TYR A 7 -0.313 7.862 -1.079 1.00 0.00 H new ATOM 0 HB3 TYR A 7 0.554 9.241 -1.726 1.00 0.00 H new ATOM 0 HD1 TYR A 7 1.646 9.051 -4.034 1.00 0.00 H new ATOM 0 HD2 TYR A 7 -0.865 5.990 -2.456 1.00 0.00 H new ATOM 0 HE1 TYR A 7 1.390 8.091 -6.283 1.00 0.00 H new ATOM 0 HE2 TYR A 7 -1.118 5.034 -4.697 1.00 0.00 H new ATOM 0 HH TYR A 7 -0.593 5.176 -6.841 1.00 0.00 H new ATOM 135 N GLY A 8 2.860 9.148 0.673 1.00 0.00 N ATOM 136 CA GLY A 8 3.021 9.762 1.977 1.00 0.00 C ATOM 137 C GLY A 8 4.480 9.960 2.344 1.00 0.00 C ATOM 138 O GLY A 8 5.041 11.033 2.121 1.00 0.00 O ATOM 0 H GLY A 8 3.539 9.446 -0.027 1.00 0.00 H new ATOM 0 HA2 GLY A 8 2.512 10.726 1.988 1.00 0.00 H new ATOM 0 HA3 GLY A 8 2.540 9.139 2.731 1.00 0.00 H new ATOM 142 N THR A 9 5.092 8.918 2.908 1.00 0.00 N ATOM 143 CA THR A 9 6.498 8.963 3.312 1.00 0.00 C ATOM 144 C THR A 9 6.863 10.304 3.945 1.00 0.00 C ATOM 145 O THR A 9 7.331 11.217 3.265 1.00 0.00 O ATOM 146 CB THR A 9 7.442 8.693 2.122 1.00 0.00 C ATOM 147 OG1 THR A 9 8.786 9.048 2.470 1.00 0.00 O ATOM 148 CG2 THR A 9 7.011 9.475 0.890 1.00 0.00 C ATOM 0 H THR A 9 4.633 8.027 3.096 1.00 0.00 H new ATOM 0 HA THR A 9 6.627 8.175 4.054 1.00 0.00 H new ATOM 0 HB THR A 9 7.393 7.629 1.890 1.00 0.00 H new ATOM 0 HG1 THR A 9 9.378 8.872 1.709 1.00 0.00 H new ATOM 0 HG21 THR A 9 7.695 9.265 0.068 1.00 0.00 H new ATOM 0 HG22 THR A 9 6.001 9.179 0.606 1.00 0.00 H new ATOM 0 HG23 THR A 9 7.028 10.542 1.112 1.00 0.00 H new ATOM 156 N GLY A 10 6.646 10.414 5.253 1.00 0.00 N ATOM 157 CA GLY A 10 6.956 11.644 5.956 1.00 0.00 C ATOM 158 C GLY A 10 5.901 12.008 6.982 1.00 0.00 C ATOM 159 O GLY A 10 6.187 12.081 8.177 1.00 0.00 O ATOM 0 H GLY A 10 6.261 9.672 5.838 1.00 0.00 H new ATOM 0 HA2 GLY A 10 7.921 11.542 6.452 1.00 0.00 H new ATOM 0 HA3 GLY A 10 7.053 12.456 5.235 1.00 0.00 H new ATOM 163 N CYS A 11 4.679 12.239 6.515 1.00 0.00 N ATOM 164 CA CYS A 11 3.577 12.599 7.400 1.00 0.00 C ATOM 165 C CYS A 11 2.452 11.564 7.344 1.00 0.00 C ATOM 166 O CYS A 11 1.459 11.680 8.063 1.00 0.00 O ATOM 167 CB CYS A 11 3.031 13.978 7.027 1.00 0.00 C ATOM 168 SG CYS A 11 4.251 15.308 7.135 1.00 0.00 S ATOM 0 H CYS A 11 4.426 12.183 5.528 1.00 0.00 H new ATOM 0 HA CYS A 11 3.964 12.624 8.419 1.00 0.00 H new ATOM 0 HB2 CYS A 11 2.640 13.939 6.010 1.00 0.00 H new ATOM 0 HB3 CYS A 11 2.192 14.214 7.682 1.00 0.00 H new ATOM 0 HG CYS A 11 3.696 16.434 6.799 1.00 0.00 H new ATOM 174 N ALA A 12 2.607 10.553 6.491 1.00 0.00 N ATOM 175 CA ALA A 12 1.597 9.511 6.355 1.00 0.00 C ATOM 176 C ALA A 12 1.999 8.251 7.118 1.00 0.00 C ATOM 177 O ALA A 12 3.144 7.807 7.043 1.00 0.00 O ATOM 178 CB ALA A 12 1.361 9.190 4.886 1.00 0.00 C ATOM 0 H ALA A 12 3.420 10.435 5.887 1.00 0.00 H new ATOM 0 HA ALA A 12 0.668 9.883 6.787 1.00 0.00 H new ATOM 0 HB1 ALA A 12 0.604 8.410 4.801 1.00 0.00 H new ATOM 0 HB2 ALA A 12 1.019 10.086 4.368 1.00 0.00 H new ATOM 0 HB3 ALA A 12 2.291 8.844 4.435 1.00 0.00 H new ATOM 184 N ASN A 13 1.046 7.680 7.850 1.00 0.00 N ATOM 185 CA ASN A 13 1.290 6.467 8.630 1.00 0.00 C ATOM 186 C ASN A 13 1.329 5.215 7.748 1.00 0.00 C ATOM 187 O ASN A 13 1.153 4.100 8.240 1.00 0.00 O ATOM 188 CB ASN A 13 0.214 6.308 9.705 1.00 0.00 C ATOM 189 CG ASN A 13 0.550 7.061 10.977 1.00 0.00 C ATOM 190 OD1 ASN A 13 1.720 7.233 11.319 1.00 0.00 O ATOM 191 ND2 ASN A 13 -0.477 7.516 11.684 1.00 0.00 N ATOM 0 H ASN A 13 0.094 8.039 7.920 1.00 0.00 H new ATOM 0 HA ASN A 13 2.268 6.573 9.100 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -0.740 6.665 9.316 1.00 0.00 H new ATOM 0 HB3 ASN A 13 0.088 5.250 9.935 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -0.312 8.031 12.549 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -1.431 7.350 11.363 1.00 0.00 H new ATOM 198 N CYS A 14 1.557 5.397 6.449 1.00 0.00 N ATOM 199 CA CYS A 14 1.611 4.269 5.515 1.00 0.00 C ATOM 200 C CYS A 14 2.669 3.247 5.931 1.00 0.00 C ATOM 201 O CYS A 14 2.629 2.093 5.505 1.00 0.00 O ATOM 202 CB CYS A 14 1.902 4.761 4.094 1.00 0.00 C ATOM 203 SG CYS A 14 3.223 5.990 3.989 1.00 0.00 S ATOM 0 H CYS A 14 1.707 6.309 6.018 1.00 0.00 H new ATOM 0 HA CYS A 14 0.636 3.782 5.536 1.00 0.00 H new ATOM 0 HB2 CYS A 14 2.167 3.905 3.473 1.00 0.00 H new ATOM 0 HB3 CYS A 14 0.990 5.188 3.676 1.00 0.00 H new ATOM 0 HG CYS A 14 3.001 6.781 2.981 1.00 0.00 H new ATOM 209 N GLN A 15 3.615 3.679 6.758 1.00 0.00 N ATOM 210 CA GLN A 15 4.688 2.817 7.232 1.00 0.00 C ATOM 211 C GLN A 15 4.148 1.495 7.786 1.00 0.00 C ATOM 212 O GLN A 15 4.748 0.438 7.588 1.00 0.00 O ATOM 213 CB GLN A 15 5.495 3.578 8.291 1.00 0.00 C ATOM 214 CG GLN A 15 5.255 3.120 9.723 1.00 0.00 C ATOM 215 CD GLN A 15 5.864 4.061 10.744 1.00 0.00 C ATOM 216 OE1 GLN A 15 6.788 3.694 11.470 1.00 0.00 O ATOM 217 NE2 GLN A 15 5.347 5.283 10.805 1.00 0.00 N ATOM 0 H GLN A 15 3.658 4.633 7.117 1.00 0.00 H new ATOM 0 HA GLN A 15 5.337 2.558 6.395 1.00 0.00 H new ATOM 0 HB2 GLN A 15 6.556 3.474 8.064 1.00 0.00 H new ATOM 0 HB3 GLN A 15 5.255 4.639 8.218 1.00 0.00 H new ATOM 0 HG2 GLN A 15 4.182 3.041 9.901 1.00 0.00 H new ATOM 0 HG3 GLN A 15 5.674 2.123 9.857 1.00 0.00 H new ATOM 0 HE21 GLN A 15 4.581 5.544 10.184 1.00 0.00 H new ATOM 0 HE22 GLN A 15 5.716 5.960 11.473 1.00 0.00 H new ATOM 226 N MET A 16 3.017 1.561 8.481 1.00 0.00 N ATOM 227 CA MET A 16 2.406 0.369 9.059 1.00 0.00 C ATOM 228 C MET A 16 1.954 -0.598 7.967 1.00 0.00 C ATOM 229 O MET A 16 2.313 -1.776 7.982 1.00 0.00 O ATOM 230 CB MET A 16 1.219 0.753 9.945 1.00 0.00 C ATOM 231 CG MET A 16 1.612 1.091 11.375 1.00 0.00 C ATOM 232 SD MET A 16 1.373 2.834 11.772 1.00 0.00 S ATOM 233 CE MET A 16 -0.411 2.906 11.919 1.00 0.00 C ATOM 0 H MET A 16 2.506 2.426 8.658 1.00 0.00 H new ATOM 0 HA MET A 16 3.157 -0.131 9.671 1.00 0.00 H new ATOM 0 HB2 MET A 16 0.710 1.610 9.505 1.00 0.00 H new ATOM 0 HB3 MET A 16 0.505 -0.070 9.958 1.00 0.00 H new ATOM 0 HG2 MET A 16 1.024 0.483 12.062 1.00 0.00 H new ATOM 0 HG3 MET A 16 2.658 0.828 11.531 1.00 0.00 H new ATOM 0 HE1 MET A 16 -0.715 3.924 12.163 1.00 0.00 H new ATOM 0 HE2 MET A 16 -0.866 2.608 10.975 1.00 0.00 H new ATOM 0 HE3 MET A 16 -0.739 2.230 12.709 1.00 0.00 H new ATOM 243 N LEU A 17 1.174 -0.093 7.015 1.00 0.00 N ATOM 244 CA LEU A 17 0.688 -0.916 5.912 1.00 0.00 C ATOM 245 C LEU A 17 1.848 -1.341 5.025 1.00 0.00 C ATOM 246 O LEU A 17 1.809 -2.394 4.390 1.00 0.00 O ATOM 247 CB LEU A 17 -0.341 -0.148 5.077 1.00 0.00 C ATOM 248 CG LEU A 17 -0.792 -0.853 3.797 1.00 0.00 C ATOM 249 CD1 LEU A 17 -1.307 -2.251 4.110 1.00 0.00 C ATOM 250 CD2 LEU A 17 -1.860 -0.035 3.089 1.00 0.00 C ATOM 0 H LEU A 17 0.866 0.879 6.985 1.00 0.00 H new ATOM 0 HA LEU A 17 0.210 -1.801 6.332 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -1.217 0.045 5.696 1.00 0.00 H new ATOM 0 HB3 LEU A 17 0.080 0.821 4.811 1.00 0.00 H new ATOM 0 HG LEU A 17 0.067 -0.946 3.133 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -1.623 -2.737 3.187 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -0.513 -2.836 4.574 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -2.154 -2.182 4.793 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -2.170 -0.550 2.180 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -2.720 0.089 3.747 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -1.457 0.944 2.831 1.00 0.00 H new ATOM 262 N GLU A 18 2.879 -0.509 4.988 1.00 0.00 N ATOM 263 CA GLU A 18 4.064 -0.804 4.169 1.00 0.00 C ATOM 264 C GLU A 18 4.661 -2.151 4.564 1.00 0.00 C ATOM 265 O GLU A 18 4.966 -2.984 3.710 1.00 0.00 O ATOM 266 CB GLU A 18 5.146 0.290 4.278 1.00 0.00 C ATOM 267 CG GLU A 18 6.375 0.003 3.428 1.00 0.00 C ATOM 268 CD GLU A 18 7.642 -0.111 4.253 1.00 0.00 C ATOM 269 OE1 GLU A 18 7.734 -1.047 5.074 1.00 0.00 O ATOM 270 OE2 GLU A 18 8.542 0.737 4.078 1.00 0.00 O ATOM 0 H GLU A 18 2.927 0.368 5.506 1.00 0.00 H new ATOM 0 HA GLU A 18 3.729 -0.835 3.132 1.00 0.00 H new ATOM 0 HB2 GLU A 18 4.719 1.246 3.976 1.00 0.00 H new ATOM 0 HB3 GLU A 18 5.448 0.391 5.320 1.00 0.00 H new ATOM 0 HG2 GLU A 18 6.221 -0.924 2.875 1.00 0.00 H new ATOM 0 HG3 GLU A 18 6.496 0.797 2.691 1.00 0.00 H new ATOM 277 N LYS A 19 4.823 -2.357 5.867 1.00 0.00 N ATOM 278 CA LYS A 19 5.380 -3.601 6.385 1.00 0.00 C ATOM 279 C LYS A 19 4.388 -4.750 6.223 1.00 0.00 C ATOM 280 O LYS A 19 4.751 -5.838 5.778 1.00 0.00 O ATOM 281 CB LYS A 19 5.758 -3.434 7.859 1.00 0.00 C ATOM 282 CG LYS A 19 7.227 -3.108 8.078 1.00 0.00 C ATOM 283 CD LYS A 19 7.983 -4.287 8.669 1.00 0.00 C ATOM 284 CE LYS A 19 7.588 -4.538 10.116 1.00 0.00 C ATOM 285 NZ LYS A 19 8.726 -4.315 11.050 1.00 0.00 N ATOM 0 H LYS A 19 4.576 -1.676 6.585 1.00 0.00 H new ATOM 0 HA LYS A 19 6.276 -3.840 5.812 1.00 0.00 H new ATOM 0 HB2 LYS A 19 5.150 -2.641 8.294 1.00 0.00 H new ATOM 0 HB3 LYS A 19 5.515 -4.352 8.394 1.00 0.00 H new ATOM 0 HG2 LYS A 19 7.682 -2.823 7.129 1.00 0.00 H new ATOM 0 HG3 LYS A 19 7.314 -2.249 8.744 1.00 0.00 H new ATOM 0 HD2 LYS A 19 7.785 -5.181 8.077 1.00 0.00 H new ATOM 0 HD3 LYS A 19 9.055 -4.098 8.612 1.00 0.00 H new ATOM 0 HE2 LYS A 19 6.762 -3.880 10.386 1.00 0.00 H new ATOM 0 HE3 LYS A 19 7.227 -5.561 10.221 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 8.415 -4.497 12.026 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 9.505 -4.961 10.809 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 9.054 -3.332 10.969 1.00 0.00 H new ATOM 299 N ASN A 20 3.136 -4.497 6.589 1.00 0.00 N ATOM 300 CA ASN A 20 2.084 -5.508 6.486 1.00 0.00 C ATOM 301 C ASN A 20 1.962 -6.028 5.057 1.00 0.00 C ATOM 302 O ASN A 20 1.996 -7.235 4.817 1.00 0.00 O ATOM 303 CB ASN A 20 0.740 -4.930 6.939 1.00 0.00 C ATOM 304 CG ASN A 20 0.852 -4.113 8.211 1.00 0.00 C ATOM 305 OD1 ASN A 20 1.788 -4.283 8.992 1.00 0.00 O ATOM 306 ND2 ASN A 20 -0.107 -3.218 8.425 1.00 0.00 N ATOM 0 H ASN A 20 2.822 -3.600 6.960 1.00 0.00 H new ATOM 0 HA ASN A 20 2.356 -6.339 7.137 1.00 0.00 H new ATOM 0 HB2 ASN A 20 0.332 -4.304 6.145 1.00 0.00 H new ATOM 0 HB3 ASN A 20 0.034 -5.745 7.097 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -0.086 -2.638 9.264 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -0.864 -3.111 7.750 1.00 0.00 H new ATOM 313 N ALA A 21 1.810 -5.103 4.117 1.00 0.00 N ATOM 314 CA ALA A 21 1.668 -5.447 2.706 1.00 0.00 C ATOM 315 C ALA A 21 2.816 -6.323 2.216 1.00 0.00 C ATOM 316 O ALA A 21 2.602 -7.283 1.478 1.00 0.00 O ATOM 317 CB ALA A 21 1.591 -4.181 1.869 1.00 0.00 C ATOM 0 H ALA A 21 1.782 -4.101 4.308 1.00 0.00 H new ATOM 0 HA ALA A 21 0.746 -6.017 2.597 1.00 0.00 H new ATOM 0 HB1 ALA A 21 1.485 -4.446 0.817 1.00 0.00 H new ATOM 0 HB2 ALA A 21 0.731 -3.589 2.182 1.00 0.00 H new ATOM 0 HB3 ALA A 21 2.502 -3.598 2.006 1.00 0.00 H new ATOM 323 N ARG A 22 4.033 -5.978 2.615 1.00 0.00 N ATOM 324 CA ARG A 22 5.216 -6.725 2.197 1.00 0.00 C ATOM 325 C ARG A 22 5.121 -8.197 2.590 1.00 0.00 C ATOM 326 O ARG A 22 5.460 -9.079 1.800 1.00 0.00 O ATOM 327 CB ARG A 22 6.478 -6.101 2.807 1.00 0.00 C ATOM 328 CG ARG A 22 7.379 -5.427 1.785 1.00 0.00 C ATOM 329 CD ARG A 22 8.693 -4.983 2.408 1.00 0.00 C ATOM 330 NE ARG A 22 9.759 -4.868 1.416 1.00 0.00 N ATOM 331 CZ ARG A 22 11.043 -4.701 1.724 1.00 0.00 C ATOM 332 NH1 ARG A 22 11.425 -4.632 2.993 1.00 0.00 N ATOM 333 NH2 ARG A 22 11.949 -4.603 0.760 1.00 0.00 N ATOM 0 H ARG A 22 4.229 -5.186 3.227 1.00 0.00 H new ATOM 0 HA ARG A 22 5.274 -6.672 1.110 1.00 0.00 H new ATOM 0 HB2 ARG A 22 6.184 -5.369 3.559 1.00 0.00 H new ATOM 0 HB3 ARG A 22 7.044 -6.877 3.322 1.00 0.00 H new ATOM 0 HG2 ARG A 22 7.579 -6.116 0.964 1.00 0.00 H new ATOM 0 HG3 ARG A 22 6.867 -4.564 1.360 1.00 0.00 H new ATOM 0 HD2 ARG A 22 8.553 -4.022 2.902 1.00 0.00 H new ATOM 0 HD3 ARG A 22 8.989 -5.697 3.177 1.00 0.00 H new ATOM 0 HE ARG A 22 9.504 -4.919 0.430 1.00 0.00 H new ATOM 0 HH11 ARG A 22 10.733 -4.707 3.739 1.00 0.00 H new ATOM 0 HH12 ARG A 22 12.411 -4.504 3.223 1.00 0.00 H new ATOM 0 HH21 ARG A 22 11.662 -4.656 -0.217 1.00 0.00 H new ATOM 0 HH22 ARG A 22 12.933 -4.475 0.996 1.00 0.00 H new ATOM 347 N GLU A 23 4.675 -8.462 3.812 1.00 0.00 N ATOM 348 CA GLU A 23 4.558 -9.835 4.295 1.00 0.00 C ATOM 349 C GLU A 23 3.364 -10.548 3.662 1.00 0.00 C ATOM 350 O GLU A 23 3.501 -11.653 3.144 1.00 0.00 O ATOM 351 CB GLU A 23 4.439 -9.858 5.823 1.00 0.00 C ATOM 352 CG GLU A 23 4.114 -11.232 6.394 1.00 0.00 C ATOM 353 CD GLU A 23 4.197 -11.270 7.907 1.00 0.00 C ATOM 354 OE1 GLU A 23 4.095 -10.194 8.534 1.00 0.00 O ATOM 355 OE2 GLU A 23 4.362 -12.374 8.466 1.00 0.00 O ATOM 0 H GLU A 23 4.390 -7.750 4.484 1.00 0.00 H new ATOM 0 HA GLU A 23 5.463 -10.368 4.002 1.00 0.00 H new ATOM 0 HB2 GLU A 23 5.376 -9.507 6.256 1.00 0.00 H new ATOM 0 HB3 GLU A 23 3.664 -9.155 6.128 1.00 0.00 H new ATOM 0 HG2 GLU A 23 3.111 -11.523 6.082 1.00 0.00 H new ATOM 0 HG3 GLU A 23 4.803 -11.967 5.978 1.00 0.00 H new ATOM 362 N ALA A 24 2.197 -9.917 3.715 1.00 0.00 N ATOM 363 CA ALA A 24 0.985 -10.508 3.153 1.00 0.00 C ATOM 364 C ALA A 24 1.096 -10.698 1.647 1.00 0.00 C ATOM 365 O ALA A 24 0.817 -11.779 1.130 1.00 0.00 O ATOM 366 CB ALA A 24 -0.226 -9.654 3.493 1.00 0.00 C ATOM 0 H ALA A 24 2.063 -8.999 4.139 1.00 0.00 H new ATOM 0 HA ALA A 24 0.861 -11.494 3.600 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -1.122 -10.107 3.068 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -0.332 -9.588 4.576 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -0.094 -8.654 3.080 1.00 0.00 H new ATOM 372 N VAL A 25 1.501 -9.650 0.940 1.00 0.00 N ATOM 373 CA VAL A 25 1.640 -9.726 -0.509 1.00 0.00 C ATOM 374 C VAL A 25 2.550 -10.897 -0.899 1.00 0.00 C ATOM 375 O VAL A 25 2.159 -11.760 -1.685 1.00 0.00 O ATOM 376 CB VAL A 25 2.169 -8.385 -1.099 1.00 0.00 C ATOM 377 CG1 VAL A 25 3.679 -8.247 -0.942 1.00 0.00 C ATOM 378 CG2 VAL A 25 1.761 -8.258 -2.560 1.00 0.00 C ATOM 0 H VAL A 25 1.738 -8.743 1.343 1.00 0.00 H new ATOM 0 HA VAL A 25 0.652 -9.902 -0.935 1.00 0.00 H new ATOM 0 HB VAL A 25 1.716 -7.571 -0.533 1.00 0.00 H new ATOM 0 HG11 VAL A 25 4.004 -7.297 -1.367 1.00 0.00 H new ATOM 0 HG12 VAL A 25 3.939 -8.279 0.116 1.00 0.00 H new ATOM 0 HG13 VAL A 25 4.175 -9.066 -1.462 1.00 0.00 H new ATOM 0 HG21 VAL A 25 2.136 -7.317 -2.962 1.00 0.00 H new ATOM 0 HG22 VAL A 25 2.180 -9.088 -3.128 1.00 0.00 H new ATOM 0 HG23 VAL A 25 0.674 -8.278 -2.637 1.00 0.00 H new ATOM 388 N LYS A 26 3.751 -10.932 -0.331 1.00 0.00 N ATOM 389 CA LYS A 26 4.704 -12.004 -0.600 1.00 0.00 C ATOM 390 C LYS A 26 4.198 -13.334 -0.043 1.00 0.00 C ATOM 391 O LYS A 26 4.180 -14.345 -0.745 1.00 0.00 O ATOM 392 CB LYS A 26 6.060 -11.671 0.025 1.00 0.00 C ATOM 393 CG LYS A 26 6.669 -10.372 -0.477 1.00 0.00 C ATOM 394 CD LYS A 26 7.959 -10.046 0.258 1.00 0.00 C ATOM 395 CE LYS A 26 8.172 -8.545 0.374 1.00 0.00 C ATOM 396 NZ LYS A 26 9.514 -8.217 0.930 1.00 0.00 N ATOM 0 H LYS A 26 4.089 -10.226 0.323 1.00 0.00 H new ATOM 0 HA LYS A 26 4.814 -12.096 -1.680 1.00 0.00 H new ATOM 0 HB2 LYS A 26 5.945 -11.612 1.107 1.00 0.00 H new ATOM 0 HB3 LYS A 26 6.753 -12.488 -0.178 1.00 0.00 H new ATOM 0 HG2 LYS A 26 6.867 -10.450 -1.546 1.00 0.00 H new ATOM 0 HG3 LYS A 26 5.956 -9.558 -0.343 1.00 0.00 H new ATOM 0 HD2 LYS A 26 7.933 -10.489 1.254 1.00 0.00 H new ATOM 0 HD3 LYS A 26 8.802 -10.494 -0.268 1.00 0.00 H new ATOM 0 HE2 LYS A 26 8.064 -8.086 -0.609 1.00 0.00 H new ATOM 0 HE3 LYS A 26 7.400 -8.117 1.013 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 9.812 -7.281 0.589 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 9.467 -8.208 1.969 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 10.202 -8.933 0.621 1.00 0.00 H new ATOM 410 N GLU A 27 3.790 -13.326 1.226 1.00 0.00 N ATOM 411 CA GLU A 27 3.289 -14.535 1.881 1.00 0.00 C ATOM 412 C GLU A 27 2.096 -15.113 1.127 1.00 0.00 C ATOM 413 O GLU A 27 1.975 -16.329 0.978 1.00 0.00 O ATOM 414 CB GLU A 27 2.890 -14.237 3.328 1.00 0.00 C ATOM 415 CG GLU A 27 2.469 -15.471 4.109 1.00 0.00 C ATOM 416 CD GLU A 27 2.652 -15.304 5.605 1.00 0.00 C ATOM 417 OE1 GLU A 27 2.244 -14.252 6.139 1.00 0.00 O ATOM 418 OE2 GLU A 27 3.204 -16.226 6.242 1.00 0.00 O ATOM 0 H GLU A 27 3.796 -12.497 1.820 1.00 0.00 H new ATOM 0 HA GLU A 27 4.093 -15.271 1.877 1.00 0.00 H new ATOM 0 HB2 GLU A 27 3.729 -13.764 3.837 1.00 0.00 H new ATOM 0 HB3 GLU A 27 2.070 -13.519 3.330 1.00 0.00 H new ATOM 0 HG2 GLU A 27 1.423 -15.691 3.897 1.00 0.00 H new ATOM 0 HG3 GLU A 27 3.051 -16.328 3.769 1.00 0.00 H new ATOM 425 N LEU A 28 1.221 -14.234 0.643 1.00 0.00 N ATOM 426 CA LEU A 28 0.042 -14.656 -0.106 1.00 0.00 C ATOM 427 C LEU A 28 0.432 -15.593 -1.248 1.00 0.00 C ATOM 428 O LEU A 28 -0.393 -16.357 -1.749 1.00 0.00 O ATOM 429 CB LEU A 28 -0.698 -13.433 -0.655 1.00 0.00 C ATOM 430 CG LEU A 28 -1.873 -13.741 -1.585 1.00 0.00 C ATOM 431 CD1 LEU A 28 -2.811 -14.755 -0.948 1.00 0.00 C ATOM 432 CD2 LEU A 28 -2.626 -12.466 -1.933 1.00 0.00 C ATOM 0 H LEU A 28 1.307 -13.224 0.757 1.00 0.00 H new ATOM 0 HA LEU A 28 -0.620 -15.197 0.570 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -1.066 -12.845 0.185 1.00 0.00 H new ATOM 0 HB3 LEU A 28 0.015 -12.809 -1.193 1.00 0.00 H new ATOM 0 HG LEU A 28 -1.477 -14.171 -2.505 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -3.640 -14.960 -1.626 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -2.268 -15.679 -0.749 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -3.199 -14.354 -0.012 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -3.458 -12.704 -2.595 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -3.008 -12.008 -1.020 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -1.952 -11.770 -2.433 1.00 0.00 H new ATOM 444 N GLY A 29 1.697 -15.528 -1.652 1.00 0.00 N ATOM 445 CA GLY A 29 2.180 -16.373 -2.728 1.00 0.00 C ATOM 446 C GLY A 29 2.568 -15.583 -3.959 1.00 0.00 C ATOM 447 O GLY A 29 2.428 -16.062 -5.084 1.00 0.00 O ATOM 0 H GLY A 29 2.397 -14.903 -1.252 1.00 0.00 H new ATOM 0 HA2 GLY A 29 3.042 -16.942 -2.379 1.00 0.00 H new ATOM 0 HA3 GLY A 29 1.408 -17.095 -2.993 1.00 0.00 H new ATOM 451 N ILE A 30 3.062 -14.367 -3.744 1.00 0.00 N ATOM 452 CA ILE A 30 3.477 -13.504 -4.843 1.00 0.00 C ATOM 453 C ILE A 30 4.246 -12.291 -4.332 1.00 0.00 C ATOM 454 O ILE A 30 3.730 -11.505 -3.538 1.00 0.00 O ATOM 455 CB ILE A 30 2.270 -13.013 -5.674 1.00 0.00 C ATOM 456 CG1 ILE A 30 1.050 -12.793 -4.776 1.00 0.00 C ATOM 457 CG2 ILE A 30 1.949 -14.004 -6.781 1.00 0.00 C ATOM 458 CD1 ILE A 30 -0.038 -11.967 -5.426 1.00 0.00 C ATOM 0 H ILE A 30 3.184 -13.958 -2.818 1.00 0.00 H new ATOM 0 HA ILE A 30 4.125 -14.106 -5.480 1.00 0.00 H new ATOM 0 HB ILE A 30 2.532 -12.059 -6.131 1.00 0.00 H new ATOM 0 HG12 ILE A 30 0.639 -13.762 -4.492 1.00 0.00 H new ATOM 0 HG13 ILE A 30 1.369 -12.300 -3.858 1.00 0.00 H new ATOM 0 HG21 ILE A 30 1.097 -13.643 -7.357 1.00 0.00 H new ATOM 0 HG22 ILE A 30 2.813 -14.108 -7.438 1.00 0.00 H new ATOM 0 HG23 ILE A 30 1.707 -14.973 -6.343 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -0.871 -11.852 -4.732 1.00 0.00 H new ATOM 0 HD12 ILE A 30 0.357 -10.985 -5.685 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -0.385 -12.469 -6.329 1.00 0.00 H new ATOM 470 N ASP A 31 5.479 -12.139 -4.798 1.00 0.00 N ATOM 471 CA ASP A 31 6.314 -11.020 -4.399 1.00 0.00 C ATOM 472 C ASP A 31 5.666 -9.708 -4.814 1.00 0.00 C ATOM 473 O ASP A 31 4.752 -9.693 -5.635 1.00 0.00 O ATOM 474 CB ASP A 31 7.706 -11.140 -5.024 1.00 0.00 C ATOM 475 CG ASP A 31 8.811 -10.793 -4.047 1.00 0.00 C ATOM 476 OD1 ASP A 31 9.045 -11.584 -3.109 1.00 0.00 O ATOM 477 OD2 ASP A 31 9.443 -9.730 -4.219 1.00 0.00 O ATOM 0 H ASP A 31 5.922 -12.781 -5.455 1.00 0.00 H new ATOM 0 HA ASP A 31 6.418 -11.035 -3.314 1.00 0.00 H new ATOM 0 HB2 ASP A 31 7.852 -12.158 -5.386 1.00 0.00 H new ATOM 0 HB3 ASP A 31 7.770 -10.481 -5.890 1.00 0.00 H new ATOM 482 N ALA A 32 6.136 -8.613 -4.240 1.00 0.00 N ATOM 483 CA ALA A 32 5.602 -7.305 -4.552 1.00 0.00 C ATOM 484 C ALA A 32 6.682 -6.260 -4.379 1.00 0.00 C ATOM 485 O ALA A 32 7.480 -6.328 -3.445 1.00 0.00 O ATOM 486 CB ALA A 32 4.406 -7.003 -3.670 1.00 0.00 C ATOM 0 H ALA A 32 6.890 -8.608 -3.553 1.00 0.00 H new ATOM 0 HA ALA A 32 5.267 -7.289 -5.589 1.00 0.00 H new ATOM 0 HB1 ALA A 32 4.013 -6.016 -3.915 1.00 0.00 H new ATOM 0 HB2 ALA A 32 3.632 -7.753 -3.837 1.00 0.00 H new ATOM 0 HB3 ALA A 32 4.711 -7.023 -2.624 1.00 0.00 H new ATOM 492 N GLU A 33 6.717 -5.298 -5.283 1.00 0.00 N ATOM 493 CA GLU A 33 7.721 -4.257 -5.214 1.00 0.00 C ATOM 494 C GLU A 33 7.131 -2.992 -4.617 1.00 0.00 C ATOM 495 O GLU A 33 6.282 -2.342 -5.227 1.00 0.00 O ATOM 496 CB GLU A 33 8.301 -3.965 -6.597 1.00 0.00 C ATOM 497 CG GLU A 33 8.584 -5.213 -7.417 1.00 0.00 C ATOM 498 CD GLU A 33 9.409 -4.923 -8.654 1.00 0.00 C ATOM 499 OE1 GLU A 33 10.502 -4.335 -8.514 1.00 0.00 O ATOM 500 OE2 GLU A 33 8.964 -5.284 -9.764 1.00 0.00 O ATOM 0 H GLU A 33 6.068 -5.217 -6.066 1.00 0.00 H new ATOM 0 HA GLU A 33 8.528 -4.608 -4.571 1.00 0.00 H new ATOM 0 HB2 GLU A 33 7.606 -3.330 -7.146 1.00 0.00 H new ATOM 0 HB3 GLU A 33 9.226 -3.400 -6.481 1.00 0.00 H new ATOM 0 HG2 GLU A 33 9.109 -5.939 -6.797 1.00 0.00 H new ATOM 0 HG3 GLU A 33 7.640 -5.670 -7.713 1.00 0.00 H new ATOM 507 N PHE A 34 7.572 -2.656 -3.416 1.00 0.00 N ATOM 508 CA PHE A 34 7.069 -1.477 -2.734 1.00 0.00 C ATOM 509 C PHE A 34 7.956 -0.268 -2.962 1.00 0.00 C ATOM 510 O PHE A 34 9.065 -0.175 -2.435 1.00 0.00 O ATOM 511 CB PHE A 34 6.925 -1.754 -1.242 1.00 0.00 C ATOM 512 CG PHE A 34 5.961 -2.864 -0.952 1.00 0.00 C ATOM 513 CD1 PHE A 34 6.350 -4.187 -1.077 1.00 0.00 C ATOM 514 CD2 PHE A 34 4.660 -2.583 -0.575 1.00 0.00 C ATOM 515 CE1 PHE A 34 5.459 -5.209 -0.830 1.00 0.00 C ATOM 516 CE2 PHE A 34 3.766 -3.601 -0.324 1.00 0.00 C ATOM 517 CZ PHE A 34 4.165 -4.916 -0.452 1.00 0.00 C ATOM 0 H PHE A 34 8.275 -3.181 -2.895 1.00 0.00 H new ATOM 0 HA PHE A 34 6.090 -1.247 -3.154 1.00 0.00 H new ATOM 0 HB2 PHE A 34 7.901 -2.008 -0.828 1.00 0.00 H new ATOM 0 HB3 PHE A 34 6.591 -0.847 -0.738 1.00 0.00 H new ATOM 0 HD1 PHE A 34 7.363 -4.421 -1.371 1.00 0.00 H new ATOM 0 HD2 PHE A 34 4.342 -1.556 -0.476 1.00 0.00 H new ATOM 0 HE1 PHE A 34 5.773 -6.237 -0.932 1.00 0.00 H new ATOM 0 HE2 PHE A 34 2.754 -3.370 -0.027 1.00 0.00 H new ATOM 0 HZ PHE A 34 3.465 -5.715 -0.256 1.00 0.00 H new ATOM 527 N GLU A 35 7.435 0.667 -3.740 1.00 0.00 N ATOM 528 CA GLU A 35 8.138 1.903 -4.043 1.00 0.00 C ATOM 529 C GLU A 35 7.320 3.084 -3.544 1.00 0.00 C ATOM 530 O GLU A 35 6.130 3.191 -3.839 1.00 0.00 O ATOM 531 CB GLU A 35 8.382 2.029 -5.548 1.00 0.00 C ATOM 532 CG GLU A 35 9.103 0.834 -6.150 1.00 0.00 C ATOM 533 CD GLU A 35 8.272 0.118 -7.197 1.00 0.00 C ATOM 534 OE1 GLU A 35 7.557 0.802 -7.958 1.00 0.00 O ATOM 535 OE2 GLU A 35 8.338 -1.129 -7.256 1.00 0.00 O ATOM 0 H GLU A 35 6.517 0.591 -4.178 1.00 0.00 H new ATOM 0 HA GLU A 35 9.105 1.893 -3.541 1.00 0.00 H new ATOM 0 HB2 GLU A 35 7.425 2.157 -6.053 1.00 0.00 H new ATOM 0 HB3 GLU A 35 8.966 2.929 -5.739 1.00 0.00 H new ATOM 0 HG2 GLU A 35 10.038 1.167 -6.600 1.00 0.00 H new ATOM 0 HG3 GLU A 35 9.363 0.134 -5.356 1.00 0.00 H new ATOM 542 N LYS A 36 7.948 3.963 -2.776 1.00 0.00 N ATOM 543 CA LYS A 36 7.247 5.119 -2.238 1.00 0.00 C ATOM 544 C LYS A 36 7.102 6.203 -3.295 1.00 0.00 C ATOM 545 O LYS A 36 7.923 6.318 -4.205 1.00 0.00 O ATOM 546 CB LYS A 36 7.965 5.667 -1.009 1.00 0.00 C ATOM 547 CG LYS A 36 8.513 4.588 -0.090 1.00 0.00 C ATOM 548 CD LYS A 36 9.081 5.181 1.190 1.00 0.00 C ATOM 549 CE LYS A 36 10.418 4.556 1.552 1.00 0.00 C ATOM 550 NZ LYS A 36 11.375 5.565 2.086 1.00 0.00 N ATOM 0 H LYS A 36 8.932 3.899 -2.514 1.00 0.00 H new ATOM 0 HA LYS A 36 6.250 4.796 -1.937 1.00 0.00 H new ATOM 0 HB2 LYS A 36 8.786 6.307 -1.334 1.00 0.00 H new ATOM 0 HB3 LYS A 36 7.275 6.295 -0.446 1.00 0.00 H new ATOM 0 HG2 LYS A 36 7.721 3.881 0.156 1.00 0.00 H new ATOM 0 HG3 LYS A 36 9.291 4.027 -0.609 1.00 0.00 H new ATOM 0 HD2 LYS A 36 9.203 6.258 1.070 1.00 0.00 H new ATOM 0 HD3 LYS A 36 8.375 5.029 2.006 1.00 0.00 H new ATOM 0 HE2 LYS A 36 10.264 3.773 2.294 1.00 0.00 H new ATOM 0 HE3 LYS A 36 10.847 4.079 0.670 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 12.275 5.100 2.321 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 11.542 6.299 1.368 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 10.977 6.002 2.942 1.00 0.00 H new ATOM 564 N ILE A 37 6.030 6.971 -3.180 1.00 0.00 N ATOM 565 CA ILE A 37 5.731 8.027 -4.131 1.00 0.00 C ATOM 566 C ILE A 37 5.781 9.393 -3.453 1.00 0.00 C ATOM 567 O ILE A 37 4.747 9.987 -3.149 1.00 0.00 O ATOM 568 CB ILE A 37 4.337 7.807 -4.774 1.00 0.00 C ATOM 569 CG1 ILE A 37 3.589 6.659 -4.073 1.00 0.00 C ATOM 570 CG2 ILE A 37 4.471 7.510 -6.256 1.00 0.00 C ATOM 571 CD1 ILE A 37 4.276 5.315 -4.198 1.00 0.00 C ATOM 0 H ILE A 37 5.347 6.880 -2.428 1.00 0.00 H new ATOM 0 HA ILE A 37 6.487 7.997 -4.915 1.00 0.00 H new ATOM 0 HB ILE A 37 3.762 8.725 -4.652 1.00 0.00 H new ATOM 0 HG12 ILE A 37 3.477 6.902 -3.016 1.00 0.00 H new ATOM 0 HG13 ILE A 37 2.585 6.584 -4.491 1.00 0.00 H new ATOM 0 HG21 ILE A 37 3.482 7.359 -6.688 1.00 0.00 H new ATOM 0 HG22 ILE A 37 4.959 8.349 -6.752 1.00 0.00 H new ATOM 0 HG23 ILE A 37 5.068 6.609 -6.394 1.00 0.00 H new ATOM 0 HD11 ILE A 37 3.689 4.557 -3.679 1.00 0.00 H new ATOM 0 HD12 ILE A 37 4.364 5.048 -5.251 1.00 0.00 H new ATOM 0 HD13 ILE A 37 5.270 5.372 -3.754 1.00 0.00 H new ATOM 583 N LYS A 38 6.995 9.880 -3.213 1.00 0.00 N ATOM 584 CA LYS A 38 7.186 11.169 -2.563 1.00 0.00 C ATOM 585 C LYS A 38 6.894 12.313 -3.524 1.00 0.00 C ATOM 586 O LYS A 38 7.804 12.977 -4.020 1.00 0.00 O ATOM 587 CB LYS A 38 8.615 11.288 -2.030 1.00 0.00 C ATOM 588 CG LYS A 38 9.679 11.178 -3.112 1.00 0.00 C ATOM 589 CD LYS A 38 10.853 10.326 -2.657 1.00 0.00 C ATOM 590 CE LYS A 38 10.803 8.934 -3.268 1.00 0.00 C ATOM 591 NZ LYS A 38 10.994 8.968 -4.745 1.00 0.00 N ATOM 0 H LYS A 38 7.860 9.400 -3.460 1.00 0.00 H new ATOM 0 HA LYS A 38 6.487 11.233 -1.729 1.00 0.00 H new ATOM 0 HB2 LYS A 38 8.725 12.245 -1.520 1.00 0.00 H new ATOM 0 HB3 LYS A 38 8.783 10.509 -1.286 1.00 0.00 H new ATOM 0 HG2 LYS A 38 9.241 10.745 -4.011 1.00 0.00 H new ATOM 0 HG3 LYS A 38 10.033 12.174 -3.378 1.00 0.00 H new ATOM 0 HD2 LYS A 38 11.787 10.813 -2.936 1.00 0.00 H new ATOM 0 HD3 LYS A 38 10.847 10.247 -1.570 1.00 0.00 H new ATOM 0 HE2 LYS A 38 11.575 8.311 -2.816 1.00 0.00 H new ATOM 0 HE3 LYS A 38 9.844 8.470 -3.037 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 11.386 8.060 -5.065 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 10.078 9.133 -5.210 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 11.651 9.735 -4.993 1.00 0.00 H new ATOM 605 N GLU A 39 5.610 12.538 -3.774 1.00 0.00 N ATOM 606 CA GLU A 39 5.165 13.608 -4.673 1.00 0.00 C ATOM 607 C GLU A 39 3.683 13.450 -5.007 1.00 0.00 C ATOM 608 O GLU A 39 3.264 12.404 -5.498 1.00 0.00 O ATOM 609 CB GLU A 39 5.992 13.608 -5.964 1.00 0.00 C ATOM 610 CG GLU A 39 6.901 14.818 -6.101 1.00 0.00 C ATOM 611 CD GLU A 39 6.141 16.077 -6.472 1.00 0.00 C ATOM 612 OE1 GLU A 39 5.232 15.992 -7.323 1.00 0.00 O ATOM 613 OE2 GLU A 39 6.458 17.149 -5.912 1.00 0.00 O ATOM 0 H GLU A 39 4.851 11.993 -3.366 1.00 0.00 H new ATOM 0 HA GLU A 39 5.311 14.559 -4.162 1.00 0.00 H new ATOM 0 HB2 GLU A 39 6.598 12.703 -5.998 1.00 0.00 H new ATOM 0 HB3 GLU A 39 5.317 13.572 -6.819 1.00 0.00 H new ATOM 0 HG2 GLU A 39 7.429 14.980 -5.161 1.00 0.00 H new ATOM 0 HG3 GLU A 39 7.657 14.617 -6.860 1.00 0.00 H new ATOM 620 N MET A 40 2.894 14.491 -4.742 1.00 0.00 N ATOM 621 CA MET A 40 1.462 14.444 -5.019 1.00 0.00 C ATOM 622 C MET A 40 1.195 14.188 -6.494 1.00 0.00 C ATOM 623 O MET A 40 0.113 13.733 -6.858 1.00 0.00 O ATOM 624 CB MET A 40 0.787 15.745 -4.577 1.00 0.00 C ATOM 625 CG MET A 40 0.100 15.643 -3.226 1.00 0.00 C ATOM 626 SD MET A 40 1.196 16.063 -1.856 1.00 0.00 S ATOM 627 CE MET A 40 0.032 16.779 -0.698 1.00 0.00 C ATOM 0 H MET A 40 3.220 15.369 -4.339 1.00 0.00 H new ATOM 0 HA MET A 40 1.039 13.617 -4.449 1.00 0.00 H new ATOM 0 HB2 MET A 40 1.535 16.537 -4.537 1.00 0.00 H new ATOM 0 HB3 MET A 40 0.053 16.037 -5.328 1.00 0.00 H new ATOM 0 HG2 MET A 40 -0.764 16.307 -3.211 1.00 0.00 H new ATOM 0 HG3 MET A 40 -0.275 14.629 -3.089 1.00 0.00 H new ATOM 0 HE1 MET A 40 0.560 17.089 0.204 1.00 0.00 H new ATOM 0 HE2 MET A 40 -0.448 17.645 -1.153 1.00 0.00 H new ATOM 0 HE3 MET A 40 -0.725 16.039 -0.439 1.00 0.00 H new ATOM 637 N ASP A 41 2.183 14.457 -7.344 1.00 0.00 N ATOM 638 CA ASP A 41 2.024 14.216 -8.771 1.00 0.00 C ATOM 639 C ASP A 41 1.535 12.790 -8.978 1.00 0.00 C ATOM 640 O ASP A 41 0.622 12.533 -9.763 1.00 0.00 O ATOM 641 CB ASP A 41 3.347 14.439 -9.507 1.00 0.00 C ATOM 642 CG ASP A 41 3.310 15.657 -10.411 1.00 0.00 C ATOM 643 OD1 ASP A 41 2.643 16.647 -10.043 1.00 0.00 O ATOM 644 OD2 ASP A 41 3.948 15.621 -11.483 1.00 0.00 O ATOM 0 H ASP A 41 3.090 14.837 -7.072 1.00 0.00 H new ATOM 0 HA ASP A 41 1.294 14.916 -9.177 1.00 0.00 H new ATOM 0 HB2 ASP A 41 4.149 14.555 -8.778 1.00 0.00 H new ATOM 0 HB3 ASP A 41 3.582 13.556 -10.102 1.00 0.00 H new ATOM 649 N GLN A 42 2.140 11.872 -8.232 1.00 0.00 N ATOM 650 CA GLN A 42 1.764 10.469 -8.284 1.00 0.00 C ATOM 651 C GLN A 42 0.625 10.184 -7.305 1.00 0.00 C ATOM 652 O GLN A 42 -0.241 9.352 -7.575 1.00 0.00 O ATOM 653 CB GLN A 42 2.968 9.582 -7.966 1.00 0.00 C ATOM 654 CG GLN A 42 3.100 8.383 -8.892 1.00 0.00 C ATOM 655 CD GLN A 42 4.543 8.049 -9.213 1.00 0.00 C ATOM 656 OE1 GLN A 42 5.425 8.903 -9.126 1.00 0.00 O ATOM 657 NE2 GLN A 42 4.790 6.799 -9.588 1.00 0.00 N ATOM 0 H GLN A 42 2.897 12.079 -7.581 1.00 0.00 H new ATOM 0 HA GLN A 42 1.420 10.242 -9.293 1.00 0.00 H new ATOM 0 HB2 GLN A 42 3.877 10.181 -8.028 1.00 0.00 H new ATOM 0 HB3 GLN A 42 2.888 9.230 -6.938 1.00 0.00 H new ATOM 0 HG2 GLN A 42 2.625 7.518 -8.429 1.00 0.00 H new ATOM 0 HG3 GLN A 42 2.563 8.584 -9.819 1.00 0.00 H new ATOM 0 HE21 GLN A 42 4.028 6.124 -9.646 1.00 0.00 H new ATOM 0 HE22 GLN A 42 5.742 6.514 -9.818 1.00 0.00 H new ATOM 666 N ILE A 43 0.635 10.877 -6.162 1.00 0.00 N ATOM 667 CA ILE A 43 -0.399 10.686 -5.147 1.00 0.00 C ATOM 668 C ILE A 43 -1.771 11.037 -5.694 1.00 0.00 C ATOM 669 O ILE A 43 -2.700 10.232 -5.656 1.00 0.00 O ATOM 670 CB ILE A 43 -0.148 11.527 -3.877 1.00 0.00 C ATOM 671 CG1 ILE A 43 1.298 11.386 -3.394 1.00 0.00 C ATOM 672 CG2 ILE A 43 -1.109 11.103 -2.778 1.00 0.00 C ATOM 673 CD1 ILE A 43 1.728 12.477 -2.437 1.00 0.00 C ATOM 0 H ILE A 43 1.343 11.570 -5.920 1.00 0.00 H new ATOM 0 HA ILE A 43 -0.360 9.631 -4.877 1.00 0.00 H new ATOM 0 HB ILE A 43 -0.319 12.575 -4.124 1.00 0.00 H new ATOM 0 HG12 ILE A 43 1.416 10.419 -2.905 1.00 0.00 H new ATOM 0 HG13 ILE A 43 1.963 11.390 -4.258 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -0.927 11.700 -1.885 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -2.135 11.255 -3.113 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -0.955 10.049 -2.547 1.00 0.00 H new ATOM 0 HD11 ILE A 43 2.763 12.311 -2.138 1.00 0.00 H new ATOM 0 HD12 ILE A 43 1.643 13.446 -2.928 1.00 0.00 H new ATOM 0 HD13 ILE A 43 1.088 12.460 -1.555 1.00 0.00 H new ATOM 685 N LEU A 44 -1.880 12.247 -6.207 1.00 0.00 N ATOM 686 CA LEU A 44 -3.131 12.733 -6.773 1.00 0.00 C ATOM 687 C LEU A 44 -3.567 11.857 -7.944 1.00 0.00 C ATOM 688 O LEU A 44 -4.758 11.614 -8.139 1.00 0.00 O ATOM 689 CB LEU A 44 -2.991 14.206 -7.196 1.00 0.00 C ATOM 690 CG LEU A 44 -2.904 14.477 -8.702 1.00 0.00 C ATOM 691 CD1 LEU A 44 -3.328 15.904 -9.012 1.00 0.00 C ATOM 692 CD2 LEU A 44 -1.493 14.220 -9.209 1.00 0.00 C ATOM 0 H LEU A 44 -1.113 12.919 -6.245 1.00 0.00 H new ATOM 0 HA LEU A 44 -3.907 12.675 -6.009 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -3.842 14.758 -6.798 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -2.098 14.614 -6.723 1.00 0.00 H new ATOM 0 HG LEU A 44 -3.584 13.796 -9.214 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -3.260 16.079 -10.086 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -4.356 16.058 -8.684 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -2.672 16.600 -8.489 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -1.450 14.417 -10.280 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -0.795 14.877 -8.690 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -1.222 13.181 -9.020 1.00 0.00 H new ATOM 704 N GLU A 45 -2.595 11.372 -8.716 1.00 0.00 N ATOM 705 CA GLU A 45 -2.892 10.513 -9.855 1.00 0.00 C ATOM 706 C GLU A 45 -3.693 9.303 -9.394 1.00 0.00 C ATOM 707 O GLU A 45 -4.567 8.809 -10.106 1.00 0.00 O ATOM 708 CB GLU A 45 -1.601 10.063 -10.542 1.00 0.00 C ATOM 709 CG GLU A 45 -1.821 9.501 -11.937 1.00 0.00 C ATOM 710 CD GLU A 45 -0.645 8.681 -12.429 1.00 0.00 C ATOM 711 OE1 GLU A 45 0.137 8.198 -11.583 1.00 0.00 O ATOM 712 OE2 GLU A 45 -0.505 8.521 -13.660 1.00 0.00 O ATOM 0 H GLU A 45 -1.603 11.559 -8.573 1.00 0.00 H new ATOM 0 HA GLU A 45 -3.483 11.079 -10.575 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -0.917 10.910 -10.604 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -1.116 9.306 -9.926 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -2.717 8.880 -11.937 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -2.002 10.322 -12.631 1.00 0.00 H new ATOM 719 N ALA A 46 -3.398 8.847 -8.181 1.00 0.00 N ATOM 720 CA ALA A 46 -4.098 7.714 -7.598 1.00 0.00 C ATOM 721 C ALA A 46 -5.482 8.144 -7.134 1.00 0.00 C ATOM 722 O ALA A 46 -6.472 7.447 -7.353 1.00 0.00 O ATOM 723 CB ALA A 46 -3.300 7.138 -6.438 1.00 0.00 C ATOM 0 H ALA A 46 -2.676 9.248 -7.583 1.00 0.00 H new ATOM 0 HA ALA A 46 -4.208 6.938 -8.355 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -3.837 6.291 -6.012 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -2.325 6.807 -6.796 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -3.165 7.903 -5.674 1.00 0.00 H new ATOM 729 N GLY A 47 -5.541 9.316 -6.507 1.00 0.00 N ATOM 730 CA GLY A 47 -6.804 9.846 -6.034 1.00 0.00 C ATOM 731 C GLY A 47 -7.227 9.293 -4.687 1.00 0.00 C ATOM 732 O GLY A 47 -8.422 9.177 -4.415 1.00 0.00 O ATOM 0 H GLY A 47 -4.732 9.908 -6.319 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -6.730 10.931 -5.965 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -7.579 9.625 -6.768 1.00 0.00 H new ATOM 736 N LEU A 48 -6.263 8.950 -3.834 1.00 0.00 N ATOM 737 CA LEU A 48 -6.597 8.413 -2.512 1.00 0.00 C ATOM 738 C LEU A 48 -7.587 9.323 -1.788 1.00 0.00 C ATOM 739 O LEU A 48 -8.507 8.846 -1.131 1.00 0.00 O ATOM 740 CB LEU A 48 -5.368 8.211 -1.594 1.00 0.00 C ATOM 741 CG LEU A 48 -3.977 8.508 -2.160 1.00 0.00 C ATOM 742 CD1 LEU A 48 -3.610 7.508 -3.242 1.00 0.00 C ATOM 743 CD2 LEU A 48 -3.873 9.942 -2.659 1.00 0.00 C ATOM 0 H LEU A 48 -5.265 9.031 -4.026 1.00 0.00 H new ATOM 0 HA LEU A 48 -7.037 7.435 -2.706 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -5.507 8.836 -0.712 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -5.374 7.175 -1.255 1.00 0.00 H new ATOM 0 HG LEU A 48 -3.255 8.400 -1.351 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -2.618 7.739 -3.629 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -3.611 6.502 -2.823 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -4.338 7.564 -4.052 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -2.872 10.118 -3.054 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -4.608 10.107 -3.446 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -4.064 10.629 -1.834 1.00 0.00 H new ATOM 755 N THR A 49 -7.358 10.634 -1.896 1.00 0.00 N ATOM 756 CA THR A 49 -8.183 11.652 -1.234 1.00 0.00 C ATOM 757 C THR A 49 -7.615 11.976 0.150 1.00 0.00 C ATOM 758 O THR A 49 -8.221 12.713 0.926 1.00 0.00 O ATOM 759 CB THR A 49 -9.667 11.246 -1.091 1.00 0.00 C ATOM 760 OG1 THR A 49 -9.835 10.365 0.027 1.00 0.00 O ATOM 761 CG2 THR A 49 -10.182 10.579 -2.358 1.00 0.00 C ATOM 0 H THR A 49 -6.593 11.023 -2.447 1.00 0.00 H new ATOM 0 HA THR A 49 -8.151 12.531 -1.878 1.00 0.00 H new ATOM 0 HB THR A 49 -10.247 12.154 -0.924 1.00 0.00 H new ATOM 0 HG1 THR A 49 -9.385 9.514 -0.157 1.00 0.00 H new ATOM 0 HG21 THR A 49 -11.229 10.305 -2.225 1.00 0.00 H new ATOM 0 HG22 THR A 49 -10.091 11.270 -3.196 1.00 0.00 H new ATOM 0 HG23 THR A 49 -9.596 9.683 -2.562 1.00 0.00 H new ATOM 769 N ALA A 50 -6.437 11.420 0.439 1.00 0.00 N ATOM 770 CA ALA A 50 -5.759 11.641 1.710 1.00 0.00 C ATOM 771 C ALA A 50 -4.252 11.466 1.534 1.00 0.00 C ATOM 772 O ALA A 50 -3.738 11.602 0.423 1.00 0.00 O ATOM 773 CB ALA A 50 -6.294 10.693 2.773 1.00 0.00 C ATOM 0 H ALA A 50 -5.931 10.807 -0.201 1.00 0.00 H new ATOM 0 HA ALA A 50 -5.954 12.661 2.041 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -5.776 10.873 3.715 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -7.362 10.863 2.908 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -6.128 9.663 2.459 1.00 0.00 H new ATOM 779 N LEU A 51 -3.540 11.173 2.619 1.00 0.00 N ATOM 780 CA LEU A 51 -2.094 10.997 2.538 1.00 0.00 C ATOM 781 C LEU A 51 -1.696 9.521 2.478 1.00 0.00 C ATOM 782 O LEU A 51 -1.078 9.087 1.507 1.00 0.00 O ATOM 783 CB LEU A 51 -1.399 11.693 3.713 1.00 0.00 C ATOM 784 CG LEU A 51 -0.532 12.895 3.335 1.00 0.00 C ATOM 785 CD1 LEU A 51 -1.365 13.949 2.622 1.00 0.00 C ATOM 786 CD2 LEU A 51 0.131 13.482 4.571 1.00 0.00 C ATOM 0 H LEU A 51 -3.934 11.054 3.552 1.00 0.00 H new ATOM 0 HA LEU A 51 -1.764 11.460 1.608 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -2.159 12.022 4.422 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -0.776 10.963 4.230 1.00 0.00 H new ATOM 0 HG LEU A 51 0.249 12.557 2.654 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -0.732 14.797 2.360 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -1.793 13.522 1.715 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -2.168 14.284 3.279 1.00 0.00 H new ATOM 0 HD21 LEU A 51 0.744 14.336 4.284 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -0.635 13.806 5.276 1.00 0.00 H new ATOM 0 HD23 LEU A 51 0.760 12.726 5.041 1.00 0.00 H new ATOM 798 N PRO A 52 -2.027 8.731 3.514 1.00 0.00 N ATOM 799 CA PRO A 52 -1.679 7.299 3.571 1.00 0.00 C ATOM 800 C PRO A 52 -2.327 6.458 2.464 1.00 0.00 C ATOM 801 O PRO A 52 -2.955 5.437 2.746 1.00 0.00 O ATOM 802 CB PRO A 52 -2.209 6.849 4.940 1.00 0.00 C ATOM 803 CG PRO A 52 -2.407 8.101 5.723 1.00 0.00 C ATOM 804 CD PRO A 52 -2.739 9.170 4.723 1.00 0.00 C ATOM 0 HA PRO A 52 -0.607 7.161 3.431 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -3.144 6.299 4.837 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -1.501 6.184 5.435 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -3.211 7.983 6.449 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -1.507 8.357 6.283 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -3.813 9.243 4.553 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -2.401 10.152 5.055 1.00 0.00 H new ATOM 812 N GLY A 53 -2.157 6.869 1.210 1.00 0.00 N ATOM 813 CA GLY A 53 -2.721 6.120 0.099 1.00 0.00 C ATOM 814 C GLY A 53 -1.856 4.941 -0.297 1.00 0.00 C ATOM 815 O GLY A 53 -0.632 5.058 -0.362 1.00 0.00 O ATOM 0 H GLY A 53 -1.639 7.706 0.943 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -3.715 5.764 0.371 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -2.843 6.782 -0.758 1.00 0.00 H new ATOM 819 N LEU A 54 -2.488 3.804 -0.562 1.00 0.00 N ATOM 820 CA LEU A 54 -1.761 2.604 -0.952 1.00 0.00 C ATOM 821 C LEU A 54 -2.461 1.910 -2.112 1.00 0.00 C ATOM 822 O LEU A 54 -3.462 1.219 -1.919 1.00 0.00 O ATOM 823 CB LEU A 54 -1.636 1.647 0.235 1.00 0.00 C ATOM 824 CG LEU A 54 -0.617 0.518 0.059 1.00 0.00 C ATOM 825 CD1 LEU A 54 -1.095 -0.476 -0.987 1.00 0.00 C ATOM 826 CD2 LEU A 54 0.746 1.080 -0.318 1.00 0.00 C ATOM 0 H LEU A 54 -3.500 3.689 -0.514 1.00 0.00 H new ATOM 0 HA LEU A 54 -0.761 2.897 -1.273 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -1.365 2.224 1.119 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -2.613 1.205 0.429 1.00 0.00 H new ATOM 0 HG LEU A 54 -0.519 -0.006 1.010 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -0.357 -1.271 -1.098 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -2.046 -0.905 -0.673 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -1.225 0.034 -1.941 1.00 0.00 H new ATOM 0 HD21 LEU A 54 1.456 0.262 -0.439 1.00 0.00 H new ATOM 0 HD22 LEU A 54 0.666 1.632 -1.255 1.00 0.00 H new ATOM 0 HD23 LEU A 54 1.094 1.749 0.469 1.00 0.00 H new ATOM 838 N ALA A 55 -1.937 2.098 -3.318 1.00 0.00 N ATOM 839 CA ALA A 55 -2.527 1.486 -4.499 1.00 0.00 C ATOM 840 C ALA A 55 -1.701 0.298 -4.972 1.00 0.00 C ATOM 841 O ALA A 55 -0.477 0.381 -5.072 1.00 0.00 O ATOM 842 CB ALA A 55 -2.669 2.512 -5.612 1.00 0.00 C ATOM 0 H ALA A 55 -1.110 2.666 -3.502 1.00 0.00 H new ATOM 0 HA ALA A 55 -3.518 1.121 -4.231 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -3.112 2.039 -6.489 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -3.311 3.327 -5.276 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -1.686 2.907 -5.870 1.00 0.00 H new ATOM 848 N VAL A 56 -2.378 -0.806 -5.265 1.00 0.00 N ATOM 849 CA VAL A 56 -1.705 -2.009 -5.729 1.00 0.00 C ATOM 850 C VAL A 56 -2.095 -2.339 -7.158 1.00 0.00 C ATOM 851 O VAL A 56 -3.246 -2.166 -7.558 1.00 0.00 O ATOM 852 CB VAL A 56 -2.006 -3.220 -4.830 1.00 0.00 C ATOM 853 CG1 VAL A 56 -0.939 -3.338 -3.762 1.00 0.00 C ATOM 854 CG2 VAL A 56 -3.391 -3.112 -4.208 1.00 0.00 C ATOM 0 H VAL A 56 -3.392 -0.891 -5.189 1.00 0.00 H new ATOM 0 HA VAL A 56 -0.636 -1.801 -5.685 1.00 0.00 H new ATOM 0 HB VAL A 56 -1.995 -4.122 -5.442 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -1.154 -4.197 -3.126 1.00 0.00 H new ATOM 0 HG12 VAL A 56 0.035 -3.471 -4.234 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -0.928 -2.432 -3.157 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -3.576 -3.982 -3.578 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -3.449 -2.207 -3.603 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -4.142 -3.070 -4.997 1.00 0.00 H new ATOM 864 N ASP A 57 -1.121 -2.801 -7.930 1.00 0.00 N ATOM 865 CA ASP A 57 -1.351 -3.141 -9.330 1.00 0.00 C ATOM 866 C ASP A 57 -2.044 -1.989 -10.056 1.00 0.00 C ATOM 867 O ASP A 57 -2.706 -2.191 -11.074 1.00 0.00 O ATOM 868 CB ASP A 57 -2.195 -4.414 -9.438 1.00 0.00 C ATOM 869 CG ASP A 57 -1.589 -5.432 -10.383 1.00 0.00 C ATOM 870 OD1 ASP A 57 -0.496 -5.952 -10.074 1.00 0.00 O ATOM 871 OD2 ASP A 57 -2.206 -5.710 -11.433 1.00 0.00 O ATOM 0 H ASP A 57 -0.163 -2.949 -7.612 1.00 0.00 H new ATOM 0 HA ASP A 57 -0.385 -3.319 -9.802 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -2.303 -4.860 -8.449 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -3.196 -4.154 -9.782 1.00 0.00 H new ATOM 876 N GLY A 58 -1.893 -0.779 -9.517 1.00 0.00 N ATOM 877 CA GLY A 58 -2.515 0.385 -10.118 1.00 0.00 C ATOM 878 C GLY A 58 -3.943 0.575 -9.655 1.00 0.00 C ATOM 879 O GLY A 58 -4.782 1.083 -10.398 1.00 0.00 O ATOM 0 H GLY A 58 -1.350 -0.587 -8.675 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -1.934 1.273 -9.871 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -2.497 0.284 -11.203 1.00 0.00 H new ATOM 883 N GLU A 59 -4.221 0.162 -8.423 1.00 0.00 N ATOM 884 CA GLU A 59 -5.560 0.286 -7.864 1.00 0.00 C ATOM 885 C GLU A 59 -5.508 0.738 -6.407 1.00 0.00 C ATOM 886 O GLU A 59 -5.163 -0.039 -5.517 1.00 0.00 O ATOM 887 CB GLU A 59 -6.305 -1.046 -7.974 1.00 0.00 C ATOM 888 CG GLU A 59 -7.549 -0.975 -8.845 1.00 0.00 C ATOM 889 CD GLU A 59 -8.811 -0.723 -8.043 1.00 0.00 C ATOM 890 OE1 GLU A 59 -8.894 0.337 -7.385 1.00 0.00 O ATOM 891 OE2 GLU A 59 -9.715 -1.582 -8.073 1.00 0.00 O ATOM 0 H GLU A 59 -3.538 -0.261 -7.795 1.00 0.00 H new ATOM 0 HA GLU A 59 -6.096 1.043 -8.437 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -5.629 -1.799 -8.380 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -6.589 -1.378 -6.975 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -7.427 -0.181 -9.582 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -7.655 -1.909 -9.397 1.00 0.00 H new ATOM 898 N LEU A 60 -5.868 1.994 -6.174 1.00 0.00 N ATOM 899 CA LEU A 60 -5.878 2.545 -4.819 1.00 0.00 C ATOM 900 C LEU A 60 -7.177 2.176 -4.116 1.00 0.00 C ATOM 901 O LEU A 60 -8.263 2.352 -4.666 1.00 0.00 O ATOM 902 CB LEU A 60 -5.681 4.075 -4.802 1.00 0.00 C ATOM 903 CG LEU A 60 -5.832 4.819 -6.137 1.00 0.00 C ATOM 904 CD1 LEU A 60 -4.671 4.508 -7.073 1.00 0.00 C ATOM 905 CD2 LEU A 60 -7.170 4.504 -6.795 1.00 0.00 C ATOM 0 H LEU A 60 -6.156 2.650 -6.900 1.00 0.00 H new ATOM 0 HA LEU A 60 -5.034 2.107 -4.286 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -6.395 4.499 -4.097 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -4.685 4.283 -4.411 1.00 0.00 H new ATOM 0 HG LEU A 60 -5.811 5.888 -5.926 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -4.804 5.048 -8.010 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -3.735 4.816 -6.607 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -4.642 3.437 -7.273 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -7.248 5.045 -7.738 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -7.239 3.433 -6.984 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -7.981 4.809 -6.134 1.00 0.00 H new ATOM 917 N LYS A 61 -7.061 1.645 -2.904 1.00 0.00 N ATOM 918 CA LYS A 61 -8.240 1.238 -2.150 1.00 0.00 C ATOM 919 C LYS A 61 -8.148 1.619 -0.673 1.00 0.00 C ATOM 920 O LYS A 61 -9.060 1.321 0.098 1.00 0.00 O ATOM 921 CB LYS A 61 -8.448 -0.273 -2.278 1.00 0.00 C ATOM 922 CG LYS A 61 -8.513 -0.758 -3.716 1.00 0.00 C ATOM 923 CD LYS A 61 -8.465 -2.276 -3.794 1.00 0.00 C ATOM 924 CE LYS A 61 -9.750 -2.902 -3.278 1.00 0.00 C ATOM 925 NZ LYS A 61 -10.728 -3.146 -4.373 1.00 0.00 N ATOM 0 H LYS A 61 -6.173 1.488 -2.427 1.00 0.00 H new ATOM 0 HA LYS A 61 -9.091 1.770 -2.574 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -7.635 -0.788 -1.766 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -9.371 -0.549 -1.768 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -9.430 -0.397 -4.182 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -7.682 -0.337 -4.281 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -8.299 -2.583 -4.827 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -7.620 -2.645 -3.212 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -9.520 -3.844 -2.780 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -10.198 -2.247 -2.531 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -11.590 -3.574 -3.979 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -10.967 -2.244 -4.832 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -10.311 -3.791 -5.074 1.00 0.00 H new ATOM 939 N ILE A 62 -7.060 2.273 -0.271 1.00 0.00 N ATOM 940 CA ILE A 62 -6.912 2.665 1.128 1.00 0.00 C ATOM 941 C ILE A 62 -6.082 3.935 1.282 1.00 0.00 C ATOM 942 O ILE A 62 -4.941 4.006 0.826 1.00 0.00 O ATOM 943 CB ILE A 62 -6.280 1.534 1.968 1.00 0.00 C ATOM 944 CG1 ILE A 62 -4.781 1.408 1.681 1.00 0.00 C ATOM 945 CG2 ILE A 62 -6.988 0.214 1.696 1.00 0.00 C ATOM 946 CD1 ILE A 62 -3.914 2.138 2.683 1.00 0.00 C ATOM 0 H ILE A 62 -6.285 2.538 -0.878 1.00 0.00 H new ATOM 0 HA ILE A 62 -7.918 2.863 1.497 1.00 0.00 H new ATOM 0 HB ILE A 62 -6.401 1.785 3.022 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -4.507 0.353 1.675 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -4.576 1.796 0.683 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -6.532 -0.574 2.295 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -8.042 0.305 1.959 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -6.898 -0.036 0.639 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -2.864 2.007 2.420 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -4.161 3.200 2.673 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -4.091 1.734 3.680 1.00 0.00 H new ATOM 958 N MET A 63 -6.664 4.930 1.942 1.00 0.00 N ATOM 959 CA MET A 63 -5.985 6.197 2.178 1.00 0.00 C ATOM 960 C MET A 63 -6.387 6.775 3.528 1.00 0.00 C ATOM 961 O MET A 63 -7.497 6.538 4.006 1.00 0.00 O ATOM 962 CB MET A 63 -6.291 7.188 1.050 1.00 0.00 C ATOM 963 CG MET A 63 -7.429 8.152 1.355 1.00 0.00 C ATOM 964 SD MET A 63 -9.048 7.360 1.285 1.00 0.00 S ATOM 965 CE MET A 63 -9.860 8.125 2.686 1.00 0.00 C ATOM 0 H MET A 63 -7.608 4.882 2.324 1.00 0.00 H new ATOM 0 HA MET A 63 -4.910 6.016 2.191 1.00 0.00 H new ATOM 0 HB2 MET A 63 -5.391 7.764 0.834 1.00 0.00 H new ATOM 0 HB3 MET A 63 -6.536 6.629 0.147 1.00 0.00 H new ATOM 0 HG2 MET A 63 -7.281 8.581 2.346 1.00 0.00 H new ATOM 0 HG3 MET A 63 -7.401 8.977 0.643 1.00 0.00 H new ATOM 0 HE1 MET A 63 -10.896 8.348 2.429 1.00 0.00 H new ATOM 0 HE2 MET A 63 -9.836 7.444 3.537 1.00 0.00 H new ATOM 0 HE3 MET A 63 -9.344 9.049 2.946 1.00 0.00 H new ATOM 975 N GLY A 64 -5.481 7.530 4.144 1.00 0.00 N ATOM 976 CA GLY A 64 -5.785 8.113 5.440 1.00 0.00 C ATOM 977 C GLY A 64 -6.174 7.063 6.456 1.00 0.00 C ATOM 978 O GLY A 64 -6.755 7.374 7.496 1.00 0.00 O ATOM 0 H GLY A 64 -4.555 7.746 3.776 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -4.917 8.664 5.802 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -6.597 8.832 5.333 1.00 0.00 H new ATOM 982 N ARG A 65 -5.854 5.815 6.147 1.00 0.00 N ATOM 983 CA ARG A 65 -6.172 4.702 7.031 1.00 0.00 C ATOM 984 C ARG A 65 -5.400 3.458 6.621 1.00 0.00 C ATOM 985 O ARG A 65 -5.831 2.707 5.745 1.00 0.00 O ATOM 986 CB ARG A 65 -7.676 4.417 7.006 1.00 0.00 C ATOM 987 CG ARG A 65 -8.139 3.494 8.121 1.00 0.00 C ATOM 988 CD ARG A 65 -9.546 2.978 7.869 1.00 0.00 C ATOM 989 NE ARG A 65 -10.331 2.908 9.098 1.00 0.00 N ATOM 990 CZ ARG A 65 -11.625 2.597 9.134 1.00 0.00 C ATOM 991 NH1 ARG A 65 -12.281 2.324 8.013 1.00 0.00 N ATOM 992 NH2 ARG A 65 -12.265 2.557 10.295 1.00 0.00 N ATOM 0 H ARG A 65 -5.373 5.547 5.288 1.00 0.00 H new ATOM 0 HA ARG A 65 -5.881 4.975 8.045 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -8.217 5.360 7.078 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -7.937 3.972 6.046 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -7.452 2.652 8.207 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -8.111 4.027 9.071 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -10.049 3.630 7.154 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -9.493 1.988 7.415 1.00 0.00 H new ATOM 0 HE ARG A 65 -9.861 3.109 9.980 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -11.794 2.352 7.117 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -13.272 2.086 8.047 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -11.766 2.765 11.160 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -13.256 2.319 10.323 1.00 0.00 H new ATOM 1006 N VAL A 66 -4.254 3.247 7.254 1.00 0.00 N ATOM 1007 CA VAL A 66 -3.421 2.096 6.948 1.00 0.00 C ATOM 1008 C VAL A 66 -4.177 0.795 7.214 1.00 0.00 C ATOM 1009 O VAL A 66 -4.602 0.531 8.339 1.00 0.00 O ATOM 1010 CB VAL A 66 -2.105 2.131 7.768 1.00 0.00 C ATOM 1011 CG1 VAL A 66 -1.612 0.731 8.120 1.00 0.00 C ATOM 1012 CG2 VAL A 66 -1.034 2.893 7.006 1.00 0.00 C ATOM 0 H VAL A 66 -3.882 3.858 7.981 1.00 0.00 H new ATOM 0 HA VAL A 66 -3.167 2.139 5.889 1.00 0.00 H new ATOM 0 HB VAL A 66 -2.316 2.646 8.706 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -0.688 0.804 8.694 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -2.368 0.217 8.714 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -1.427 0.170 7.204 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -0.115 2.911 7.591 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -0.847 2.401 6.051 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -1.371 3.914 6.828 1.00 0.00 H new ATOM 1022 N ALA A 67 -4.340 -0.014 6.171 1.00 0.00 N ATOM 1023 CA ALA A 67 -5.044 -1.285 6.293 1.00 0.00 C ATOM 1024 C ALA A 67 -4.302 -2.238 7.223 1.00 0.00 C ATOM 1025 O ALA A 67 -3.113 -2.499 7.042 1.00 0.00 O ATOM 1026 CB ALA A 67 -5.227 -1.918 4.922 1.00 0.00 C ATOM 0 H ALA A 67 -3.994 0.188 5.233 1.00 0.00 H new ATOM 0 HA ALA A 67 -6.025 -1.089 6.726 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -5.754 -2.866 5.027 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -5.807 -1.249 4.287 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -4.251 -2.093 4.469 1.00 0.00 H new ATOM 1032 N SER A 68 -5.014 -2.755 8.220 1.00 0.00 N ATOM 1033 CA SER A 68 -4.425 -3.681 9.182 1.00 0.00 C ATOM 1034 C SER A 68 -3.905 -4.934 8.484 1.00 0.00 C ATOM 1035 O SER A 68 -4.174 -5.156 7.304 1.00 0.00 O ATOM 1036 CB SER A 68 -5.455 -4.067 10.245 1.00 0.00 C ATOM 1037 OG SER A 68 -4.840 -4.252 11.508 1.00 0.00 O ATOM 0 H SER A 68 -6.000 -2.548 8.383 1.00 0.00 H new ATOM 0 HA SER A 68 -3.585 -3.180 9.663 1.00 0.00 H new ATOM 0 HB2 SER A 68 -6.216 -3.290 10.318 1.00 0.00 H new ATOM 0 HB3 SER A 68 -5.964 -4.984 9.947 1.00 0.00 H new ATOM 0 HG SER A 68 -5.520 -4.496 12.170 1.00 0.00 H new ATOM 1043 N LYS A 69 -3.162 -5.751 9.223 1.00 0.00 N ATOM 1044 CA LYS A 69 -2.606 -6.983 8.674 1.00 0.00 C ATOM 1045 C LYS A 69 -3.717 -7.912 8.197 1.00 0.00 C ATOM 1046 O LYS A 69 -3.763 -8.292 7.027 1.00 0.00 O ATOM 1047 CB LYS A 69 -1.747 -7.693 9.723 1.00 0.00 C ATOM 1048 CG LYS A 69 -0.522 -6.899 10.146 1.00 0.00 C ATOM 1049 CD LYS A 69 0.474 -7.770 10.896 1.00 0.00 C ATOM 1050 CE LYS A 69 1.710 -8.056 10.058 1.00 0.00 C ATOM 1051 NZ LYS A 69 2.955 -8.028 10.874 1.00 0.00 N ATOM 0 H LYS A 69 -2.931 -5.583 10.202 1.00 0.00 H new ATOM 0 HA LYS A 69 -1.981 -6.722 7.820 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -2.358 -7.898 10.602 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -1.426 -8.656 9.326 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -0.042 -6.471 9.266 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -0.828 -6.066 10.779 1.00 0.00 H new ATOM 0 HD2 LYS A 69 0.768 -7.274 11.821 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -0.002 -8.710 11.176 1.00 0.00 H new ATOM 0 HE2 LYS A 69 1.609 -9.032 9.584 1.00 0.00 H new ATOM 0 HE3 LYS A 69 1.784 -7.319 9.258 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 3.774 -8.228 10.265 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 3.066 -7.089 11.306 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 2.896 -8.748 11.622 1.00 0.00 H new ATOM 1065 N GLU A 70 -4.611 -8.275 9.111 1.00 0.00 N ATOM 1066 CA GLU A 70 -5.723 -9.160 8.784 1.00 0.00 C ATOM 1067 C GLU A 70 -6.614 -8.540 7.712 1.00 0.00 C ATOM 1068 O GLU A 70 -7.188 -9.246 6.884 1.00 0.00 O ATOM 1069 CB GLU A 70 -6.547 -9.463 10.037 1.00 0.00 C ATOM 1070 CG GLU A 70 -5.736 -10.084 11.162 1.00 0.00 C ATOM 1071 CD GLU A 70 -6.251 -9.697 12.535 1.00 0.00 C ATOM 1072 OE1 GLU A 70 -6.923 -8.650 12.642 1.00 0.00 O ATOM 1073 OE2 GLU A 70 -5.983 -10.441 13.501 1.00 0.00 O ATOM 0 H GLU A 70 -4.587 -7.970 10.084 1.00 0.00 H new ATOM 0 HA GLU A 70 -5.312 -10.091 8.395 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -7.002 -8.539 10.395 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -7.361 -10.137 9.772 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -5.756 -11.169 11.063 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -4.695 -9.775 11.068 1.00 0.00 H new ATOM 1080 N GLU A 71 -6.726 -7.215 7.735 1.00 0.00 N ATOM 1081 CA GLU A 71 -7.546 -6.499 6.763 1.00 0.00 C ATOM 1082 C GLU A 71 -7.080 -6.790 5.341 1.00 0.00 C ATOM 1083 O GLU A 71 -7.892 -6.917 4.424 1.00 0.00 O ATOM 1084 CB GLU A 71 -7.498 -4.994 7.033 1.00 0.00 C ATOM 1085 CG GLU A 71 -8.718 -4.470 7.774 1.00 0.00 C ATOM 1086 CD GLU A 71 -9.829 -4.042 6.835 1.00 0.00 C ATOM 1087 OE1 GLU A 71 -9.979 -4.671 5.766 1.00 0.00 O ATOM 1088 OE2 GLU A 71 -10.550 -3.078 7.169 1.00 0.00 O ATOM 0 H GLU A 71 -6.259 -6.616 8.416 1.00 0.00 H new ATOM 0 HA GLU A 71 -8.574 -6.845 6.866 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -6.604 -4.766 7.614 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -7.405 -4.466 6.084 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -9.092 -5.244 8.445 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -8.426 -3.623 8.395 1.00 0.00 H new ATOM 1095 N ILE A 72 -5.767 -6.897 5.164 1.00 0.00 N ATOM 1096 CA ILE A 72 -5.194 -7.175 3.853 1.00 0.00 C ATOM 1097 C ILE A 72 -5.517 -8.598 3.408 1.00 0.00 C ATOM 1098 O ILE A 72 -6.037 -8.815 2.313 1.00 0.00 O ATOM 1099 CB ILE A 72 -3.664 -6.982 3.857 1.00 0.00 C ATOM 1100 CG1 ILE A 72 -3.304 -5.600 4.406 1.00 0.00 C ATOM 1101 CG2 ILE A 72 -3.099 -7.162 2.456 1.00 0.00 C ATOM 1102 CD1 ILE A 72 -1.996 -5.573 5.165 1.00 0.00 C ATOM 0 H ILE A 72 -5.081 -6.795 5.912 1.00 0.00 H new ATOM 0 HA ILE A 72 -5.638 -6.467 3.153 1.00 0.00 H new ATOM 0 HB ILE A 72 -3.222 -7.739 4.505 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -3.249 -4.892 3.579 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -4.104 -5.260 5.064 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -2.018 -7.022 2.479 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -3.327 -8.166 2.098 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -3.546 -6.427 1.786 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -1.805 -4.562 5.525 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -2.053 -6.255 6.013 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -1.186 -5.882 4.505 1.00 0.00 H new ATOM 1114 N LYS A 73 -5.208 -9.565 4.267 1.00 0.00 N ATOM 1115 CA LYS A 73 -5.466 -10.968 3.963 1.00 0.00 C ATOM 1116 C LYS A 73 -6.962 -11.227 3.807 1.00 0.00 C ATOM 1117 O LYS A 73 -7.376 -12.088 3.031 1.00 0.00 O ATOM 1118 CB LYS A 73 -4.888 -11.861 5.064 1.00 0.00 C ATOM 1119 CG LYS A 73 -3.943 -12.934 4.545 1.00 0.00 C ATOM 1120 CD LYS A 73 -4.545 -14.323 4.681 1.00 0.00 C ATOM 1121 CE LYS A 73 -3.763 -15.351 3.877 1.00 0.00 C ATOM 1122 NZ LYS A 73 -3.601 -16.631 4.619 1.00 0.00 N ATOM 0 H LYS A 73 -4.779 -9.403 5.178 1.00 0.00 H new ATOM 0 HA LYS A 73 -4.979 -11.207 3.018 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -4.357 -11.238 5.784 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -5.708 -12.339 5.600 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -3.710 -12.739 3.498 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -3.003 -12.889 5.095 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -4.557 -14.614 5.731 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -5.581 -14.306 4.343 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -4.276 -15.541 2.934 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -2.781 -14.948 3.630 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -3.063 -17.304 4.037 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -3.089 -16.455 5.507 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -4.538 -17.029 4.832 1.00 0.00 H new