USER MOD reduce.3.24.130724 H: found=0, std=0, add=614, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 611 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 7 THR OG1 : rot 139:sc= 1.12 USER MOD Set 1.2: A 9 THR OG1 : rot 180:sc= 1.05 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 179:sc= 1.3 (180deg=1.23) USER MOD Single : A 2 GLN : amide:sc= 0.836 K(o=0.84,f=-0.77) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 163:sc= 0.379 (180deg=-0.135) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot -74:sc= 0.989 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc= -3.71! C(o=-3.7!,f=-9.3!) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ -165:sc= 1.14 (180deg=0.903) USER MOD Single : A 31 GLN : amide:sc= -0.974 X(o=-0.97,f=-1.5) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= -0.555 K(o=-0.55,f=-2.4!) USER MOD Single : A 41 GLN : amide:sc= 0 X(o=0,f=-0.074) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=-0.14) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0.00299 USER MOD Single : A 57 SER OG : rot -140:sc= -0.0538 USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 ASN : amide:sc= -0.0609 X(o=-0.061,f=-0.031) USER MOD Single : A 62 GLN : amide:sc= 0 K(o=0,f=-0.56) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 46:sc= 0.0587 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 12.114 -8.080 -1.409 1.00 0.00 N ATOM 2 CA MET A 1 11.705 -8.362 -2.793 1.00 0.00 C ATOM 3 C MET A 1 10.233 -8.023 -2.993 1.00 0.00 C ATOM 4 O MET A 1 9.883 -7.310 -3.931 1.00 0.00 O ATOM 5 CB MET A 1 11.975 -9.824 -3.143 1.00 0.00 C ATOM 6 CG MET A 1 11.693 -10.061 -4.624 1.00 0.00 C ATOM 7 SD MET A 1 12.020 -11.756 -5.167 1.00 0.00 S ATOM 8 CE MET A 1 11.581 -11.580 -6.914 1.00 0.00 C ATOM 0 H1 MET A 1 13.115 -8.332 -1.285 1.00 0.00 H new ATOM 0 H2 MET A 1 11.984 -7.068 -1.208 1.00 0.00 H new ATOM 0 H3 MET A 1 11.532 -8.640 -0.754 1.00 0.00 H new ATOM 0 HA MET A 1 12.294 -7.736 -3.463 1.00 0.00 H new ATOM 0 HB2 MET A 1 13.011 -10.077 -2.915 1.00 0.00 H new ATOM 0 HB3 MET A 1 11.347 -10.475 -2.535 1.00 0.00 H new ATOM 0 HG2 MET A 1 10.650 -9.818 -4.829 1.00 0.00 H new ATOM 0 HG3 MET A 1 12.302 -9.376 -5.214 1.00 0.00 H new ATOM 0 HE1 MET A 1 11.720 -12.534 -7.422 1.00 0.00 H new ATOM 0 HE2 MET A 1 10.539 -11.272 -6.998 1.00 0.00 H new ATOM 0 HE3 MET A 1 12.220 -10.827 -7.376 1.00 0.00 H new ATOM 18 N GLN A 2 9.374 -8.524 -2.101 1.00 0.00 N ATOM 19 CA GLN A 2 7.945 -8.278 -2.179 1.00 0.00 C ATOM 20 C GLN A 2 7.447 -7.786 -0.825 1.00 0.00 C ATOM 21 O GLN A 2 8.220 -7.698 0.126 1.00 0.00 O ATOM 22 CB GLN A 2 7.229 -9.566 -2.585 1.00 0.00 C ATOM 23 CG GLN A 2 7.507 -9.873 -4.056 1.00 0.00 C ATOM 24 CD GLN A 2 6.750 -11.115 -4.509 1.00 0.00 C ATOM 25 OE1 GLN A 2 6.463 -12.000 -3.706 1.00 0.00 O ATOM 26 NE2 GLN A 2 6.414 -11.175 -5.798 1.00 0.00 N ATOM 0 H GLN A 2 9.654 -9.107 -1.312 1.00 0.00 H new ATOM 0 HA GLN A 2 7.736 -7.515 -2.928 1.00 0.00 H new ATOM 0 HB2 GLN A 2 7.568 -10.393 -1.961 1.00 0.00 H new ATOM 0 HB3 GLN A 2 6.156 -9.463 -2.422 1.00 0.00 H new ATOM 0 HG2 GLN A 2 7.215 -9.021 -4.670 1.00 0.00 H new ATOM 0 HG3 GLN A 2 8.577 -10.021 -4.204 1.00 0.00 H new ATOM 0 HE21 GLN A 2 6.674 -10.416 -6.429 1.00 0.00 H new ATOM 0 HE22 GLN A 2 5.897 -11.979 -6.153 1.00 0.00 H new ATOM 35 N ILE A 3 6.156 -7.455 -0.744 1.00 0.00 N ATOM 36 CA ILE A 3 5.546 -7.000 0.493 1.00 0.00 C ATOM 37 C ILE A 3 4.154 -7.606 0.618 1.00 0.00 C ATOM 38 O ILE A 3 3.683 -8.270 -0.302 1.00 0.00 O ATOM 39 CB ILE A 3 5.480 -5.471 0.515 1.00 0.00 C ATOM 40 CG1 ILE A 3 4.638 -4.963 -0.656 1.00 0.00 C ATOM 41 CG2 ILE A 3 6.891 -4.892 0.423 1.00 0.00 C ATOM 42 CD1 ILE A 3 4.487 -3.445 -0.573 1.00 0.00 C ATOM 0 H ILE A 3 5.512 -7.497 -1.534 1.00 0.00 H new ATOM 0 HA ILE A 3 6.149 -7.323 1.341 1.00 0.00 H new ATOM 0 HB ILE A 3 5.018 -5.151 1.449 1.00 0.00 H new ATOM 0 HG12 ILE A 3 5.109 -5.239 -1.600 1.00 0.00 H new ATOM 0 HG13 ILE A 3 3.656 -5.436 -0.640 1.00 0.00 H new ATOM 0 HG21 ILE A 3 6.839 -3.803 0.439 1.00 0.00 H new ATOM 0 HG22 ILE A 3 7.483 -5.240 1.270 1.00 0.00 H new ATOM 0 HG23 ILE A 3 7.359 -5.219 -0.505 1.00 0.00 H new ATOM 0 HD11 ILE A 3 3.886 -3.093 -1.411 1.00 0.00 H new ATOM 0 HD12 ILE A 3 3.996 -3.179 0.363 1.00 0.00 H new ATOM 0 HD13 ILE A 3 5.472 -2.979 -0.611 1.00 0.00 H new ATOM 54 N PHE A 4 3.483 -7.349 1.743 1.00 0.00 N ATOM 55 CA PHE A 4 2.160 -7.890 1.987 1.00 0.00 C ATOM 56 C PHE A 4 1.231 -6.781 2.458 1.00 0.00 C ATOM 57 O PHE A 4 1.332 -6.319 3.592 1.00 0.00 O ATOM 58 CB PHE A 4 2.250 -9.008 3.024 1.00 0.00 C ATOM 59 CG PHE A 4 3.007 -10.218 2.531 1.00 0.00 C ATOM 60 CD1 PHE A 4 2.321 -11.263 1.900 1.00 0.00 C ATOM 61 CD2 PHE A 4 4.397 -10.289 2.691 1.00 0.00 C ATOM 62 CE1 PHE A 4 3.024 -12.377 1.425 1.00 0.00 C ATOM 63 CE2 PHE A 4 5.100 -11.401 2.213 1.00 0.00 C ATOM 64 CZ PHE A 4 4.415 -12.444 1.578 1.00 0.00 C ATOM 0 H PHE A 4 3.843 -6.766 2.498 1.00 0.00 H new ATOM 0 HA PHE A 4 1.754 -8.306 1.065 1.00 0.00 H new ATOM 0 HB2 PHE A 4 2.736 -8.624 3.921 1.00 0.00 H new ATOM 0 HB3 PHE A 4 1.243 -9.310 3.311 1.00 0.00 H new ATOM 0 HD1 PHE A 4 1.249 -11.210 1.780 1.00 0.00 H new ATOM 0 HD2 PHE A 4 4.926 -9.486 3.183 1.00 0.00 H new ATOM 0 HE1 PHE A 4 2.494 -13.184 0.941 1.00 0.00 H new ATOM 0 HE2 PHE A 4 6.172 -11.455 2.334 1.00 0.00 H new ATOM 0 HZ PHE A 4 4.959 -13.300 1.206 1.00 0.00 H new ATOM 74 N VAL A 5 0.323 -6.353 1.578 1.00 0.00 N ATOM 75 CA VAL A 5 -0.632 -5.311 1.894 1.00 0.00 C ATOM 76 C VAL A 5 -1.928 -5.956 2.361 1.00 0.00 C ATOM 77 O VAL A 5 -2.513 -6.762 1.641 1.00 0.00 O ATOM 78 CB VAL A 5 -0.877 -4.457 0.648 1.00 0.00 C ATOM 79 CG1 VAL A 5 -1.988 -3.446 0.924 1.00 0.00 C ATOM 80 CG2 VAL A 5 0.405 -3.714 0.273 1.00 0.00 C ATOM 0 H VAL A 5 0.236 -6.723 0.632 1.00 0.00 H new ATOM 0 HA VAL A 5 -0.246 -4.671 2.687 1.00 0.00 H new ATOM 0 HB VAL A 5 -1.175 -5.105 -0.176 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -2.158 -2.841 0.034 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -2.905 -3.975 1.184 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -1.695 -2.800 1.751 1.00 0.00 H new ATOM 0 HG21 VAL A 5 0.227 -3.107 -0.615 1.00 0.00 H new ATOM 0 HG22 VAL A 5 0.707 -3.070 1.099 1.00 0.00 H new ATOM 0 HG23 VAL A 5 1.196 -4.435 0.067 1.00 0.00 H new ATOM 90 N LYS A 6 -2.355 -5.633 3.583 1.00 0.00 N ATOM 91 CA LYS A 6 -3.575 -6.190 4.132 1.00 0.00 C ATOM 92 C LYS A 6 -4.655 -5.121 4.139 1.00 0.00 C ATOM 93 O LYS A 6 -4.541 -4.126 4.853 1.00 0.00 O ATOM 94 CB LYS A 6 -3.311 -6.716 5.542 1.00 0.00 C ATOM 95 CG LYS A 6 -4.518 -7.517 6.023 1.00 0.00 C ATOM 96 CD LYS A 6 -4.249 -8.057 7.425 1.00 0.00 C ATOM 97 CE LYS A 6 -5.409 -8.949 7.860 1.00 0.00 C ATOM 98 NZ LYS A 6 -5.199 -9.461 9.224 1.00 0.00 N ATOM 0 H LYS A 6 -1.868 -4.988 4.205 1.00 0.00 H new ATOM 0 HA LYS A 6 -3.916 -7.023 3.517 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -2.420 -7.344 5.546 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -3.119 -5.885 6.221 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -5.407 -6.886 6.030 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -4.717 -8.341 5.337 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -3.318 -8.623 7.435 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -4.128 -7.232 8.127 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -6.341 -8.385 7.819 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -5.511 -9.784 7.166 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -6.001 -10.064 9.496 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -4.321 -10.018 9.254 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -5.126 -8.663 9.887 1.00 0.00 H new ATOM 112 N THR A 7 -5.681 -5.302 3.306 1.00 0.00 N ATOM 113 CA THR A 7 -6.765 -4.345 3.206 1.00 0.00 C ATOM 114 C THR A 7 -7.532 -4.295 4.520 1.00 0.00 C ATOM 115 O THR A 7 -7.334 -5.138 5.393 1.00 0.00 O ATOM 116 CB THR A 7 -7.698 -4.750 2.069 1.00 0.00 C ATOM 117 OG1 THR A 7 -8.282 -5.994 2.377 1.00 0.00 O ATOM 118 CG2 THR A 7 -6.921 -4.861 0.759 1.00 0.00 C ATOM 0 H THR A 7 -5.777 -6.110 2.691 1.00 0.00 H new ATOM 0 HA THR A 7 -6.358 -3.355 2.999 1.00 0.00 H new ATOM 0 HB THR A 7 -8.473 -3.992 1.952 1.00 0.00 H new ATOM 0 HG1 THR A 7 -9.228 -5.983 2.123 1.00 0.00 H new ATOM 0 HG21 THR A 7 -7.600 -5.151 -0.043 1.00 0.00 H new ATOM 0 HG22 THR A 7 -6.469 -3.898 0.522 1.00 0.00 H new ATOM 0 HG23 THR A 7 -6.139 -5.614 0.862 1.00 0.00 H new ATOM 126 N ALA A 8 -8.456 -3.339 4.635 1.00 0.00 N ATOM 127 CA ALA A 8 -9.303 -3.239 5.806 1.00 0.00 C ATOM 128 C ALA A 8 -10.362 -4.337 5.768 1.00 0.00 C ATOM 129 O ALA A 8 -11.092 -4.527 6.738 1.00 0.00 O ATOM 130 CB ALA A 8 -9.957 -1.860 5.841 1.00 0.00 C ATOM 0 H ALA A 8 -8.630 -2.627 3.926 1.00 0.00 H new ATOM 0 HA ALA A 8 -8.704 -3.367 6.708 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -10.595 -1.782 6.721 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -9.185 -1.092 5.883 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -10.559 -1.720 4.943 1.00 0.00 H new ATOM 136 N THR A 9 -10.435 -5.069 4.651 1.00 0.00 N ATOM 137 CA THR A 9 -11.387 -6.156 4.503 1.00 0.00 C ATOM 138 C THR A 9 -10.718 -7.486 4.839 1.00 0.00 C ATOM 139 O THR A 9 -11.382 -8.521 4.877 1.00 0.00 O ATOM 140 CB THR A 9 -11.949 -6.159 3.080 1.00 0.00 C ATOM 141 OG1 THR A 9 -10.903 -6.296 2.145 1.00 0.00 O ATOM 142 CG2 THR A 9 -12.686 -4.846 2.822 1.00 0.00 C ATOM 0 H THR A 9 -9.839 -4.921 3.837 1.00 0.00 H new ATOM 0 HA THR A 9 -12.216 -6.013 5.197 1.00 0.00 H new ATOM 0 HB THR A 9 -12.637 -6.998 2.973 1.00 0.00 H new ATOM 0 HG1 THR A 9 -11.273 -6.298 1.238 1.00 0.00 H new ATOM 0 HG21 THR A 9 -13.087 -4.847 1.808 1.00 0.00 H new ATOM 0 HG22 THR A 9 -13.503 -4.741 3.535 1.00 0.00 H new ATOM 0 HG23 THR A 9 -11.994 -4.012 2.938 1.00 0.00 H new ATOM 150 N GLY A 10 -9.412 -7.453 5.125 1.00 0.00 N ATOM 151 CA GLY A 10 -8.689 -8.630 5.573 1.00 0.00 C ATOM 152 C GLY A 10 -7.975 -9.338 4.424 1.00 0.00 C ATOM 153 O GLY A 10 -7.349 -10.373 4.641 1.00 0.00 O ATOM 0 H GLY A 10 -8.838 -6.613 5.051 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -7.959 -8.341 6.329 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -9.384 -9.322 6.049 1.00 0.00 H new ATOM 157 N LYS A 11 -8.090 -8.815 3.200 1.00 0.00 N ATOM 158 CA LYS A 11 -7.438 -9.431 2.057 1.00 0.00 C ATOM 159 C LYS A 11 -5.926 -9.300 2.173 1.00 0.00 C ATOM 160 O LYS A 11 -5.394 -8.194 2.101 1.00 0.00 O ATOM 161 CB LYS A 11 -7.893 -8.768 0.757 1.00 0.00 C ATOM 162 CG LYS A 11 -9.350 -9.092 0.444 1.00 0.00 C ATOM 163 CD LYS A 11 -9.652 -8.598 -0.969 1.00 0.00 C ATOM 164 CE LYS A 11 -11.070 -8.982 -1.376 1.00 0.00 C ATOM 165 NZ LYS A 11 -11.320 -8.635 -2.785 1.00 0.00 N ATOM 0 H LYS A 11 -8.625 -7.974 2.983 1.00 0.00 H new ATOM 0 HA LYS A 11 -7.714 -10.485 2.043 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -7.768 -7.688 0.835 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -7.260 -9.103 -0.065 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -9.526 -10.165 0.518 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -10.011 -8.610 1.165 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -9.534 -7.515 -1.015 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -8.937 -9.026 -1.671 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -11.219 -10.052 -1.228 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -11.789 -8.469 -0.737 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -12.158 -9.148 -3.126 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -11.484 -7.611 -2.867 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -10.495 -8.900 -3.360 1.00 0.00 H new ATOM 179 N THR A 12 -5.230 -10.431 2.302 1.00 0.00 N ATOM 180 CA THR A 12 -3.782 -10.444 2.220 1.00 0.00 C ATOM 181 C THR A 12 -3.392 -10.350 0.750 1.00 0.00 C ATOM 182 O THR A 12 -3.804 -11.189 -0.049 1.00 0.00 O ATOM 183 CB THR A 12 -3.245 -11.736 2.836 1.00 0.00 C ATOM 184 OG1 THR A 12 -3.831 -11.943 4.102 1.00 0.00 O ATOM 185 CG2 THR A 12 -1.727 -11.650 2.983 1.00 0.00 C ATOM 0 H THR A 12 -5.652 -11.345 2.463 1.00 0.00 H new ATOM 0 HA THR A 12 -3.357 -9.603 2.769 1.00 0.00 H new ATOM 0 HB THR A 12 -3.496 -12.571 2.182 1.00 0.00 H new ATOM 0 HG1 THR A 12 -3.485 -12.773 4.491 1.00 0.00 H new ATOM 0 HG21 THR A 12 -1.351 -12.574 3.423 1.00 0.00 H new ATOM 0 HG22 THR A 12 -1.274 -11.504 2.002 1.00 0.00 H new ATOM 0 HG23 THR A 12 -1.471 -10.810 3.629 1.00 0.00 H new ATOM 193 N ILE A 13 -2.631 -9.317 0.381 1.00 0.00 N ATOM 194 CA ILE A 13 -2.253 -9.113 -1.005 1.00 0.00 C ATOM 195 C ILE A 13 -0.746 -8.935 -1.126 1.00 0.00 C ATOM 196 O ILE A 13 -0.205 -7.906 -0.724 1.00 0.00 O ATOM 197 CB ILE A 13 -2.997 -7.901 -1.574 1.00 0.00 C ATOM 198 CG1 ILE A 13 -4.501 -8.048 -1.323 1.00 0.00 C ATOM 199 CG2 ILE A 13 -2.721 -7.799 -3.074 1.00 0.00 C ATOM 200 CD1 ILE A 13 -5.251 -6.818 -1.832 1.00 0.00 C ATOM 0 H ILE A 13 -2.269 -8.615 1.026 1.00 0.00 H new ATOM 0 HA ILE A 13 -2.533 -9.994 -1.583 1.00 0.00 H new ATOM 0 HB ILE A 13 -2.648 -6.994 -1.081 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -4.874 -8.942 -1.824 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -4.687 -8.179 -0.257 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -3.249 -6.938 -3.483 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -1.650 -7.681 -3.240 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -3.067 -8.706 -3.570 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -6.318 -6.940 -1.646 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -4.890 -5.931 -1.312 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -5.080 -6.705 -2.903 1.00 0.00 H new ATOM 212 N THR A 14 -0.071 -9.938 -1.691 1.00 0.00 N ATOM 213 CA THR A 14 1.352 -9.853 -1.955 1.00 0.00 C ATOM 214 C THR A 14 1.579 -8.847 -3.075 1.00 0.00 C ATOM 215 O THR A 14 1.014 -8.990 -4.158 1.00 0.00 O ATOM 216 CB THR A 14 1.887 -11.229 -2.347 1.00 0.00 C ATOM 217 OG1 THR A 14 1.520 -12.175 -1.367 1.00 0.00 O ATOM 218 CG2 THR A 14 3.409 -11.175 -2.458 1.00 0.00 C ATOM 0 H THR A 14 -0.497 -10.821 -1.973 1.00 0.00 H new ATOM 0 HA THR A 14 1.883 -9.524 -1.062 1.00 0.00 H new ATOM 0 HB THR A 14 1.464 -11.520 -3.309 1.00 0.00 H new ATOM 0 HG1 THR A 14 2.069 -12.046 -0.566 1.00 0.00 H new ATOM 0 HG21 THR A 14 3.789 -12.158 -2.738 1.00 0.00 H new ATOM 0 HG22 THR A 14 3.693 -10.447 -3.218 1.00 0.00 H new ATOM 0 HG23 THR A 14 3.834 -10.882 -1.498 1.00 0.00 H new ATOM 226 N LEU A 15 2.352 -7.793 -2.798 1.00 0.00 N ATOM 227 CA LEU A 15 2.574 -6.746 -3.775 1.00 0.00 C ATOM 228 C LEU A 15 4.050 -6.673 -4.141 1.00 0.00 C ATOM 229 O LEU A 15 4.909 -7.068 -3.355 1.00 0.00 O ATOM 230 CB LEU A 15 2.081 -5.417 -3.202 1.00 0.00 C ATOM 231 CG LEU A 15 1.691 -4.450 -4.319 1.00 0.00 C ATOM 232 CD1 LEU A 15 0.444 -4.953 -5.046 1.00 0.00 C ATOM 233 CD2 LEU A 15 1.409 -3.075 -3.715 1.00 0.00 C ATOM 0 H LEU A 15 2.828 -7.651 -1.907 1.00 0.00 H new ATOM 0 HA LEU A 15 2.017 -6.965 -4.686 1.00 0.00 H new ATOM 0 HB2 LEU A 15 1.224 -5.593 -2.552 1.00 0.00 H new ATOM 0 HB3 LEU A 15 2.862 -4.971 -2.586 1.00 0.00 H new ATOM 0 HG LEU A 15 2.510 -4.382 -5.035 1.00 0.00 H new ATOM 0 HD11 LEU A 15 0.178 -4.254 -5.839 1.00 0.00 H new ATOM 0 HD12 LEU A 15 0.646 -5.933 -5.479 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -0.382 -5.031 -4.339 1.00 0.00 H new ATOM 0 HD21 LEU A 15 1.130 -2.380 -4.507 1.00 0.00 H new ATOM 0 HD22 LEU A 15 0.593 -3.153 -2.997 1.00 0.00 H new ATOM 0 HD23 LEU A 15 2.303 -2.709 -3.210 1.00 0.00 H new ATOM 245 N GLU A 16 4.340 -6.149 -5.334 1.00 0.00 N ATOM 246 CA GLU A 16 5.699 -6.019 -5.822 1.00 0.00 C ATOM 247 C GLU A 16 5.861 -4.658 -6.489 1.00 0.00 C ATOM 248 O GLU A 16 5.477 -4.482 -7.644 1.00 0.00 O ATOM 249 CB GLU A 16 5.992 -7.164 -6.789 1.00 0.00 C ATOM 250 CG GLU A 16 7.463 -7.158 -7.194 1.00 0.00 C ATOM 251 CD GLU A 16 7.781 -8.364 -8.068 1.00 0.00 C ATOM 252 OE1 GLU A 16 7.761 -8.190 -9.305 1.00 0.00 O ATOM 253 OE2 GLU A 16 7.923 -9.463 -7.488 1.00 0.00 O ATOM 0 H GLU A 16 3.633 -5.805 -5.983 1.00 0.00 H new ATOM 0 HA GLU A 16 6.414 -6.079 -5.001 1.00 0.00 H new ATOM 0 HB2 GLU A 16 5.741 -8.116 -6.321 1.00 0.00 H new ATOM 0 HB3 GLU A 16 5.364 -7.069 -7.675 1.00 0.00 H new ATOM 0 HG2 GLU A 16 7.694 -6.240 -7.734 1.00 0.00 H new ATOM 0 HG3 GLU A 16 8.091 -7.171 -6.304 1.00 0.00 H new ATOM 260 N VAL A 17 6.370 -3.676 -5.739 1.00 0.00 N ATOM 261 CA VAL A 17 6.490 -2.319 -6.239 1.00 0.00 C ATOM 262 C VAL A 17 7.943 -1.990 -6.551 1.00 0.00 C ATOM 263 O VAL A 17 8.855 -2.671 -6.085 1.00 0.00 O ATOM 264 CB VAL A 17 5.937 -1.344 -5.197 1.00 0.00 C ATOM 265 CG1 VAL A 17 4.457 -1.630 -4.955 1.00 0.00 C ATOM 266 CG2 VAL A 17 6.700 -1.489 -3.880 1.00 0.00 C ATOM 0 H VAL A 17 6.704 -3.804 -4.784 1.00 0.00 H new ATOM 0 HA VAL A 17 5.916 -2.227 -7.161 1.00 0.00 H new ATOM 0 HB VAL A 17 6.058 -0.328 -5.572 1.00 0.00 H new ATOM 0 HG11 VAL A 17 4.068 -0.933 -4.212 1.00 0.00 H new ATOM 0 HG12 VAL A 17 3.906 -1.511 -5.888 1.00 0.00 H new ATOM 0 HG13 VAL A 17 4.338 -2.651 -4.592 1.00 0.00 H new ATOM 0 HG21 VAL A 17 6.297 -0.790 -3.147 1.00 0.00 H new ATOM 0 HG22 VAL A 17 6.592 -2.508 -3.507 1.00 0.00 H new ATOM 0 HG23 VAL A 17 7.755 -1.273 -4.045 1.00 0.00 H new ATOM 276 N GLU A 18 8.154 -0.897 -7.288 1.00 0.00 N ATOM 277 CA GLU A 18 9.482 -0.417 -7.614 1.00 0.00 C ATOM 278 C GLU A 18 10.013 0.390 -6.431 1.00 0.00 C ATOM 279 O GLU A 18 9.321 1.270 -5.924 1.00 0.00 O ATOM 280 CB GLU A 18 9.407 0.449 -8.869 1.00 0.00 C ATOM 281 CG GLU A 18 9.232 -0.426 -10.112 1.00 0.00 C ATOM 282 CD GLU A 18 8.011 -1.333 -9.999 1.00 0.00 C ATOM 283 OE1 GLU A 18 8.218 -2.566 -10.004 1.00 0.00 O ATOM 284 OE2 GLU A 18 6.891 -0.783 -9.910 1.00 0.00 O ATOM 0 H GLU A 18 7.402 -0.325 -7.672 1.00 0.00 H new ATOM 0 HA GLU A 18 10.156 -1.251 -7.808 1.00 0.00 H new ATOM 0 HB2 GLU A 18 8.574 1.147 -8.788 1.00 0.00 H new ATOM 0 HB3 GLU A 18 10.314 1.046 -8.961 1.00 0.00 H new ATOM 0 HG2 GLU A 18 9.133 0.209 -10.992 1.00 0.00 H new ATOM 0 HG3 GLU A 18 10.125 -1.035 -10.257 1.00 0.00 H new ATOM 291 N PRO A 19 11.247 0.105 -6.000 1.00 0.00 N ATOM 292 CA PRO A 19 11.851 0.699 -4.824 1.00 0.00 C ATOM 293 C PRO A 19 11.879 2.224 -4.850 1.00 0.00 C ATOM 294 O PRO A 19 11.962 2.841 -3.792 1.00 0.00 O ATOM 295 CB PRO A 19 13.274 0.145 -4.767 1.00 0.00 C ATOM 296 CG PRO A 19 13.202 -1.165 -5.546 1.00 0.00 C ATOM 297 CD PRO A 19 12.082 -0.939 -6.558 1.00 0.00 C ATOM 0 HA PRO A 19 11.259 0.446 -3.945 1.00 0.00 H new ATOM 0 HB2 PRO A 19 13.988 0.836 -5.216 1.00 0.00 H new ATOM 0 HB3 PRO A 19 13.595 -0.021 -3.739 1.00 0.00 H new ATOM 0 HG2 PRO A 19 14.147 -1.386 -6.041 1.00 0.00 H new ATOM 0 HG3 PRO A 19 12.982 -2.007 -4.890 1.00 0.00 H new ATOM 0 HD2 PRO A 19 12.485 -0.641 -7.526 1.00 0.00 H new ATOM 0 HD3 PRO A 19 11.510 -1.853 -6.718 1.00 0.00 H new ATOM 305 N SER A 20 11.812 2.840 -6.035 1.00 0.00 N ATOM 306 CA SER A 20 12.018 4.277 -6.150 1.00 0.00 C ATOM 307 C SER A 20 10.864 4.962 -6.876 1.00 0.00 C ATOM 308 O SER A 20 11.023 6.079 -7.365 1.00 0.00 O ATOM 309 CB SER A 20 13.335 4.534 -6.879 1.00 0.00 C ATOM 310 OG SER A 20 14.392 3.905 -6.187 1.00 0.00 O ATOM 0 H SER A 20 11.618 2.366 -6.917 1.00 0.00 H new ATOM 0 HA SER A 20 12.059 4.701 -5.147 1.00 0.00 H new ATOM 0 HB2 SER A 20 13.278 4.153 -7.899 1.00 0.00 H new ATOM 0 HB3 SER A 20 13.520 5.606 -6.949 1.00 0.00 H new ATOM 0 HG SER A 20 15.235 4.070 -6.658 1.00 0.00 H new ATOM 316 N ASP A 21 9.731 4.273 -7.017 1.00 0.00 N ATOM 317 CA ASP A 21 8.591 4.829 -7.729 1.00 0.00 C ATOM 318 C ASP A 21 7.711 5.631 -6.774 1.00 0.00 C ATOM 319 O ASP A 21 6.653 6.116 -7.170 1.00 0.00 O ATOM 320 CB ASP A 21 7.789 3.704 -8.378 1.00 0.00 C ATOM 321 CG ASP A 21 8.360 3.335 -9.742 1.00 0.00 C ATOM 322 OD1 ASP A 21 7.581 2.792 -10.554 1.00 0.00 O ATOM 323 OD2 ASP A 21 9.580 3.537 -9.926 1.00 0.00 O ATOM 0 H ASP A 21 9.583 3.334 -6.648 1.00 0.00 H new ATOM 0 HA ASP A 21 8.951 5.500 -8.509 1.00 0.00 H new ATOM 0 HB2 ASP A 21 7.796 2.828 -7.729 1.00 0.00 H new ATOM 0 HB3 ASP A 21 6.749 4.012 -8.487 1.00 0.00 H new ATOM 328 N THR A 22 8.147 5.756 -5.517 1.00 0.00 N ATOM 329 CA THR A 22 7.455 6.515 -4.487 1.00 0.00 C ATOM 330 C THR A 22 6.272 5.717 -3.942 1.00 0.00 C ATOM 331 O THR A 22 5.792 4.786 -4.586 1.00 0.00 O ATOM 332 CB THR A 22 7.014 7.873 -5.045 1.00 0.00 C ATOM 333 OG1 THR A 22 8.106 8.486 -5.695 1.00 0.00 O ATOM 334 CG2 THR A 22 6.540 8.786 -3.916 1.00 0.00 C ATOM 0 H THR A 22 9.009 5.321 -5.187 1.00 0.00 H new ATOM 0 HA THR A 22 8.136 6.699 -3.656 1.00 0.00 H new ATOM 0 HB THR A 22 6.195 7.713 -5.746 1.00 0.00 H new ATOM 0 HG1 THR A 22 7.827 9.354 -6.055 1.00 0.00 H new ATOM 0 HG21 THR A 22 6.231 9.746 -4.330 1.00 0.00 H new ATOM 0 HG22 THR A 22 5.697 8.323 -3.403 1.00 0.00 H new ATOM 0 HG23 THR A 22 7.354 8.942 -3.208 1.00 0.00 H new ATOM 342 N ILE A 23 5.802 6.096 -2.750 1.00 0.00 N ATOM 343 CA ILE A 23 4.682 5.445 -2.089 1.00 0.00 C ATOM 344 C ILE A 23 3.467 5.393 -3.008 1.00 0.00 C ATOM 345 O ILE A 23 2.639 4.494 -2.881 1.00 0.00 O ATOM 346 CB ILE A 23 4.353 6.208 -0.801 1.00 0.00 C ATOM 347 CG1 ILE A 23 5.487 6.049 0.217 1.00 0.00 C ATOM 348 CG2 ILE A 23 3.044 5.698 -0.198 1.00 0.00 C ATOM 349 CD1 ILE A 23 5.578 4.613 0.733 1.00 0.00 C ATOM 0 H ILE A 23 6.196 6.871 -2.217 1.00 0.00 H new ATOM 0 HA ILE A 23 4.954 4.418 -1.844 1.00 0.00 H new ATOM 0 HB ILE A 23 4.242 7.264 -1.048 1.00 0.00 H new ATOM 0 HG12 ILE A 23 6.433 6.332 -0.244 1.00 0.00 H new ATOM 0 HG13 ILE A 23 5.324 6.728 1.054 1.00 0.00 H new ATOM 0 HG21 ILE A 23 2.825 6.250 0.716 1.00 0.00 H new ATOM 0 HG22 ILE A 23 2.234 5.843 -0.912 1.00 0.00 H new ATOM 0 HG23 ILE A 23 3.139 4.637 0.033 1.00 0.00 H new ATOM 0 HD11 ILE A 23 6.393 4.536 1.453 1.00 0.00 H new ATOM 0 HD12 ILE A 23 4.640 4.340 1.216 1.00 0.00 H new ATOM 0 HD13 ILE A 23 5.766 3.938 -0.102 1.00 0.00 H new ATOM 361 N GLU A 24 3.347 6.353 -3.926 1.00 0.00 N ATOM 362 CA GLU A 24 2.202 6.405 -4.815 1.00 0.00 C ATOM 363 C GLU A 24 2.067 5.094 -5.584 1.00 0.00 C ATOM 364 O GLU A 24 0.957 4.684 -5.921 1.00 0.00 O ATOM 365 CB GLU A 24 2.348 7.592 -5.764 1.00 0.00 C ATOM 366 CG GLU A 24 1.066 7.752 -6.580 1.00 0.00 C ATOM 367 CD GLU A 24 1.109 9.019 -7.421 1.00 0.00 C ATOM 368 OE1 GLU A 24 1.219 10.103 -6.807 1.00 0.00 O ATOM 369 OE2 GLU A 24 0.943 8.888 -8.653 1.00 0.00 O ATOM 0 H GLU A 24 4.029 7.098 -4.068 1.00 0.00 H new ATOM 0 HA GLU A 24 1.292 6.539 -4.230 1.00 0.00 H new ATOM 0 HB2 GLU A 24 2.547 8.502 -5.198 1.00 0.00 H new ATOM 0 HB3 GLU A 24 3.198 7.438 -6.429 1.00 0.00 H new ATOM 0 HG2 GLU A 24 0.933 6.886 -7.228 1.00 0.00 H new ATOM 0 HG3 GLU A 24 0.206 7.785 -5.911 1.00 0.00 H new ATOM 376 N ASN A 25 3.192 4.419 -5.834 1.00 0.00 N ATOM 377 CA ASN A 25 3.187 3.162 -6.560 1.00 0.00 C ATOM 378 C ASN A 25 2.578 2.060 -5.699 1.00 0.00 C ATOM 379 O ASN A 25 1.967 1.129 -6.220 1.00 0.00 O ATOM 380 CB ASN A 25 4.621 2.805 -6.946 1.00 0.00 C ATOM 381 CG ASN A 25 4.657 1.647 -7.934 1.00 0.00 C ATOM 382 OD1 ASN A 25 3.617 1.190 -8.400 1.00 0.00 O ATOM 383 ND2 ASN A 25 5.861 1.174 -8.256 1.00 0.00 N ATOM 0 H ASN A 25 4.118 4.730 -5.540 1.00 0.00 H new ATOM 0 HA ASN A 25 2.584 3.262 -7.462 1.00 0.00 H new ATOM 0 HB2 ASN A 25 5.109 3.675 -7.385 1.00 0.00 H new ATOM 0 HB3 ASN A 25 5.185 2.540 -6.052 1.00 0.00 H new ATOM 0 HD21 ASN A 25 5.945 0.400 -8.915 1.00 0.00 H new ATOM 0 HD22 ASN A 25 6.698 1.586 -7.843 1.00 0.00 H new ATOM 390 N VAL A 26 2.713 2.181 -4.376 1.00 0.00 N ATOM 391 CA VAL A 26 2.160 1.201 -3.461 1.00 0.00 C ATOM 392 C VAL A 26 0.638 1.242 -3.540 1.00 0.00 C ATOM 393 O VAL A 26 -0.031 0.289 -3.146 1.00 0.00 O ATOM 394 CB VAL A 26 2.652 1.484 -2.039 1.00 0.00 C ATOM 395 CG1 VAL A 26 2.138 0.410 -1.080 1.00 0.00 C ATOM 396 CG2 VAL A 26 4.179 1.483 -2.014 1.00 0.00 C ATOM 0 H VAL A 26 3.203 2.952 -3.922 1.00 0.00 H new ATOM 0 HA VAL A 26 2.493 0.201 -3.738 1.00 0.00 H new ATOM 0 HB VAL A 26 2.276 2.458 -1.726 1.00 0.00 H new ATOM 0 HG11 VAL A 26 2.494 0.622 -0.072 1.00 0.00 H new ATOM 0 HG12 VAL A 26 1.048 0.408 -1.087 1.00 0.00 H new ATOM 0 HG13 VAL A 26 2.505 -0.566 -1.397 1.00 0.00 H new ATOM 0 HG21 VAL A 26 4.526 1.685 -1.001 1.00 0.00 H new ATOM 0 HG22 VAL A 26 4.548 0.509 -2.337 1.00 0.00 H new ATOM 0 HG23 VAL A 26 4.554 2.254 -2.687 1.00 0.00 H new ATOM 406 N LYS A 27 0.089 2.378 -3.980 1.00 0.00 N ATOM 407 CA LYS A 27 -1.343 2.510 -4.188 1.00 0.00 C ATOM 408 C LYS A 27 -1.739 2.081 -5.602 1.00 0.00 C ATOM 409 O LYS A 27 -2.881 1.688 -5.829 1.00 0.00 O ATOM 410 CB LYS A 27 -1.758 3.962 -3.952 1.00 0.00 C ATOM 411 CG LYS A 27 -1.479 4.358 -2.502 1.00 0.00 C ATOM 412 CD LYS A 27 -2.000 5.771 -2.239 1.00 0.00 C ATOM 413 CE LYS A 27 -1.243 6.775 -3.106 1.00 0.00 C ATOM 414 NZ LYS A 27 -1.708 8.149 -2.855 1.00 0.00 N ATOM 0 H LYS A 27 0.623 3.219 -4.198 1.00 0.00 H new ATOM 0 HA LYS A 27 -1.856 1.858 -3.481 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -1.212 4.619 -4.628 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -2.818 4.086 -4.174 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -1.959 3.652 -1.824 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -0.408 4.313 -2.303 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -3.067 5.821 -2.457 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -1.878 6.023 -1.185 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -0.175 6.706 -2.899 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -1.381 6.528 -4.159 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -1.177 8.811 -3.457 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -2.722 8.218 -3.075 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -1.554 8.391 -1.855 1.00 0.00 H new ATOM 428 N ALA A 28 -0.820 2.221 -6.565 1.00 0.00 N ATOM 429 CA ALA A 28 -1.154 2.055 -7.971 1.00 0.00 C ATOM 430 C ALA A 28 -1.269 0.589 -8.383 1.00 0.00 C ATOM 431 O ALA A 28 -2.134 0.247 -9.187 1.00 0.00 O ATOM 432 CB ALA A 28 -0.085 2.745 -8.816 1.00 0.00 C ATOM 0 H ALA A 28 0.159 2.449 -6.389 1.00 0.00 H new ATOM 0 HA ALA A 28 -2.132 2.506 -8.135 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -0.325 2.627 -9.873 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -0.053 3.806 -8.567 1.00 0.00 H new ATOM 0 HB3 ALA A 28 0.887 2.295 -8.612 1.00 0.00 H new ATOM 438 N LYS A 29 -0.419 -0.284 -7.838 1.00 0.00 N ATOM 439 CA LYS A 29 -0.420 -1.681 -8.244 1.00 0.00 C ATOM 440 C LYS A 29 -1.699 -2.376 -7.781 1.00 0.00 C ATOM 441 O LYS A 29 -2.073 -3.409 -8.334 1.00 0.00 O ATOM 442 CB LYS A 29 0.803 -2.396 -7.664 1.00 0.00 C ATOM 443 CG LYS A 29 2.105 -1.751 -8.139 1.00 0.00 C ATOM 444 CD LYS A 29 2.338 -2.025 -9.623 1.00 0.00 C ATOM 445 CE LYS A 29 3.665 -1.395 -10.044 1.00 0.00 C ATOM 446 NZ LYS A 29 4.702 -2.419 -10.249 1.00 0.00 N ATOM 0 H LYS A 29 0.269 -0.047 -7.123 1.00 0.00 H new ATOM 0 HA LYS A 29 -0.377 -1.724 -9.332 1.00 0.00 H new ATOM 0 HB2 LYS A 29 0.759 -2.370 -6.575 1.00 0.00 H new ATOM 0 HB3 LYS A 29 0.786 -3.445 -7.959 1.00 0.00 H new ATOM 0 HG2 LYS A 29 2.068 -0.676 -7.965 1.00 0.00 H new ATOM 0 HG3 LYS A 29 2.941 -2.139 -7.558 1.00 0.00 H new ATOM 0 HD2 LYS A 29 2.355 -3.099 -9.809 1.00 0.00 H new ATOM 0 HD3 LYS A 29 1.521 -1.612 -10.215 1.00 0.00 H new ATOM 0 HE2 LYS A 29 3.525 -0.827 -10.964 1.00 0.00 H new ATOM 0 HE3 LYS A 29 3.993 -0.689 -9.281 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 5.637 -1.965 -10.282 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 4.676 -3.101 -9.464 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 4.527 -2.916 -11.146 1.00 0.00 H new ATOM 460 N ILE A 30 -2.383 -1.806 -6.785 1.00 0.00 N ATOM 461 CA ILE A 30 -3.606 -2.392 -6.267 1.00 0.00 C ATOM 462 C ILE A 30 -4.809 -1.846 -7.027 1.00 0.00 C ATOM 463 O ILE A 30 -5.854 -2.491 -7.072 1.00 0.00 O ATOM 464 CB ILE A 30 -3.717 -2.100 -4.768 1.00 0.00 C ATOM 465 CG1 ILE A 30 -2.611 -2.864 -4.037 1.00 0.00 C ATOM 466 CG2 ILE A 30 -5.080 -2.549 -4.240 1.00 0.00 C ATOM 467 CD1 ILE A 30 -2.529 -2.418 -2.579 1.00 0.00 C ATOM 0 H ILE A 30 -2.104 -0.939 -6.326 1.00 0.00 H new ATOM 0 HA ILE A 30 -3.584 -3.473 -6.407 1.00 0.00 H new ATOM 0 HB ILE A 30 -3.612 -1.028 -4.598 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -2.807 -3.935 -4.086 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -1.654 -2.692 -4.531 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -5.145 -2.335 -3.173 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -5.869 -2.012 -4.766 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -5.199 -3.620 -4.404 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -1.737 -2.971 -2.073 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -2.310 -1.351 -2.537 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -3.481 -2.613 -2.085 1.00 0.00 H new ATOM 479 N GLN A 31 -4.651 -0.690 -7.677 1.00 0.00 N ATOM 480 CA GLN A 31 -5.715 -0.145 -8.498 1.00 0.00 C ATOM 481 C GLN A 31 -5.989 -1.112 -9.643 1.00 0.00 C ATOM 482 O GLN A 31 -7.120 -1.232 -10.106 1.00 0.00 O ATOM 483 CB GLN A 31 -5.300 1.228 -9.026 1.00 0.00 C ATOM 484 CG GLN A 31 -6.428 1.826 -9.866 1.00 0.00 C ATOM 485 CD GLN A 31 -6.063 3.216 -10.374 1.00 0.00 C ATOM 486 OE1 GLN A 31 -4.920 3.650 -10.249 1.00 0.00 O ATOM 487 NE2 GLN A 31 -7.044 3.920 -10.941 1.00 0.00 N ATOM 0 H GLN A 31 -3.803 -0.124 -7.647 1.00 0.00 H new ATOM 0 HA GLN A 31 -6.626 -0.021 -7.912 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -5.064 1.891 -8.194 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -4.396 1.138 -9.628 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -6.641 1.172 -10.711 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -7.338 1.882 -9.269 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -7.978 3.519 -11.023 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -6.860 4.860 -11.292 1.00 0.00 H new ATOM 496 N ASP A 32 -4.941 -1.812 -10.084 1.00 0.00 N ATOM 497 CA ASP A 32 -5.037 -2.792 -11.149 1.00 0.00 C ATOM 498 C ASP A 32 -5.586 -4.112 -10.615 1.00 0.00 C ATOM 499 O ASP A 32 -6.136 -4.907 -11.374 1.00 0.00 O ATOM 500 CB ASP A 32 -3.646 -3.001 -11.746 1.00 0.00 C ATOM 501 CG ASP A 32 -3.689 -3.944 -12.941 1.00 0.00 C ATOM 502 OD1 ASP A 32 -3.361 -5.132 -12.731 1.00 0.00 O ATOM 503 OD2 ASP A 32 -3.835 -3.418 -14.065 1.00 0.00 O ATOM 0 H ASP A 32 -4.000 -1.708 -9.705 1.00 0.00 H new ATOM 0 HA ASP A 32 -5.720 -2.431 -11.917 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -3.233 -2.040 -12.054 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -2.979 -3.406 -10.985 1.00 0.00 H new ATOM 508 N LYS A 33 -5.401 -4.364 -9.315 1.00 0.00 N ATOM 509 CA LYS A 33 -5.752 -5.646 -8.730 1.00 0.00 C ATOM 510 C LYS A 33 -7.145 -5.614 -8.110 1.00 0.00 C ATOM 511 O LYS A 33 -8.019 -6.379 -8.514 1.00 0.00 O ATOM 512 CB LYS A 33 -4.705 -6.015 -7.679 1.00 0.00 C ATOM 513 CG LYS A 33 -4.849 -7.481 -7.271 1.00 0.00 C ATOM 514 CD LYS A 33 -4.490 -8.380 -8.453 1.00 0.00 C ATOM 515 CE LYS A 33 -4.463 -9.838 -8.004 1.00 0.00 C ATOM 516 NZ LYS A 33 -4.135 -10.730 -9.127 1.00 0.00 N ATOM 0 H LYS A 33 -5.010 -3.692 -8.655 1.00 0.00 H new ATOM 0 HA LYS A 33 -5.767 -6.400 -9.517 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -3.705 -5.838 -8.076 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -4.818 -5.375 -6.804 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -4.198 -7.699 -6.425 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -5.870 -7.680 -6.947 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -5.217 -8.250 -9.254 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -3.518 -8.096 -8.856 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -3.728 -9.964 -7.209 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -5.433 -10.112 -7.588 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -4.123 -11.716 -8.795 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -4.851 -10.625 -9.874 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -3.199 -10.481 -9.506 1.00 0.00 H new ATOM 530 N GLU A 34 -7.344 -4.762 -7.101 1.00 0.00 N ATOM 531 CA GLU A 34 -8.608 -4.698 -6.388 1.00 0.00 C ATOM 532 C GLU A 34 -9.572 -3.766 -7.115 1.00 0.00 C ATOM 533 O GLU A 34 -10.777 -3.809 -6.875 1.00 0.00 O ATOM 534 CB GLU A 34 -8.351 -4.210 -4.962 1.00 0.00 C ATOM 535 CG GLU A 34 -9.573 -4.437 -4.068 1.00 0.00 C ATOM 536 CD GLU A 34 -9.966 -5.908 -4.012 1.00 0.00 C ATOM 537 OE1 GLU A 34 -11.157 -6.189 -4.269 1.00 0.00 O ATOM 538 OE2 GLU A 34 -9.107 -6.709 -3.585 1.00 0.00 O ATOM 0 H GLU A 34 -6.638 -4.107 -6.764 1.00 0.00 H new ATOM 0 HA GLU A 34 -9.062 -5.688 -6.349 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -7.491 -4.734 -4.546 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -8.101 -3.149 -4.978 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -9.358 -4.079 -3.061 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -10.412 -3.850 -4.443 1.00 0.00 H new ATOM 545 N GLY A 35 -9.047 -2.956 -8.038 1.00 0.00 N ATOM 546 CA GLY A 35 -9.865 -2.086 -8.863 1.00 0.00 C ATOM 547 C GLY A 35 -10.233 -0.797 -8.135 1.00 0.00 C ATOM 548 O GLY A 35 -10.882 0.070 -8.716 1.00 0.00 O ATOM 0 H GLY A 35 -8.047 -2.890 -8.228 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -9.328 -1.845 -9.780 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -10.775 -2.611 -9.155 1.00 0.00 H new ATOM 552 N ILE A 36 -9.849 -0.673 -6.862 1.00 0.00 N ATOM 553 CA ILE A 36 -10.173 0.508 -6.079 1.00 0.00 C ATOM 554 C ILE A 36 -9.355 1.700 -6.570 1.00 0.00 C ATOM 555 O ILE A 36 -8.129 1.689 -6.468 1.00 0.00 O ATOM 556 CB ILE A 36 -9.888 0.237 -4.601 1.00 0.00 C ATOM 557 CG1 ILE A 36 -10.699 -0.982 -4.155 1.00 0.00 C ATOM 558 CG2 ILE A 36 -10.285 1.465 -3.781 1.00 0.00 C ATOM 559 CD1 ILE A 36 -10.353 -1.365 -2.717 1.00 0.00 C ATOM 0 H ILE A 36 -9.314 -1.379 -6.357 1.00 0.00 H new ATOM 0 HA ILE A 36 -11.231 0.742 -6.198 1.00 0.00 H new ATOM 0 HB ILE A 36 -8.827 0.037 -4.450 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -11.764 -0.764 -4.232 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -10.497 -1.822 -4.819 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -10.084 1.278 -2.726 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -9.707 2.327 -4.113 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -11.347 1.666 -3.918 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -10.941 -2.234 -2.420 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -9.292 -1.605 -2.650 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -10.579 -0.530 -2.054 1.00 0.00 H new ATOM 571 N PRO A 37 -10.029 2.748 -7.063 1.00 0.00 N ATOM 572 CA PRO A 37 -9.387 3.953 -7.551 1.00 0.00 C ATOM 573 C PRO A 37 -8.560 4.616 -6.452 1.00 0.00 C ATOM 574 O PRO A 37 -8.746 4.323 -5.272 1.00 0.00 O ATOM 575 CB PRO A 37 -10.520 4.875 -8.005 1.00 0.00 C ATOM 576 CG PRO A 37 -11.727 3.955 -8.189 1.00 0.00 C ATOM 577 CD PRO A 37 -11.465 2.797 -7.230 1.00 0.00 C ATOM 0 HA PRO A 37 -8.698 3.732 -8.366 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -10.722 5.648 -7.263 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -10.266 5.384 -8.935 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -12.659 4.468 -7.949 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -11.810 3.608 -9.219 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -11.965 2.958 -6.275 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -11.845 1.859 -7.635 1.00 0.00 H new ATOM 585 N PRO A 38 -7.714 5.580 -6.830 1.00 0.00 N ATOM 586 CA PRO A 38 -6.884 6.327 -5.908 1.00 0.00 C ATOM 587 C PRO A 38 -7.738 7.111 -4.916 1.00 0.00 C ATOM 588 O PRO A 38 -8.934 7.296 -5.134 1.00 0.00 O ATOM 589 CB PRO A 38 -6.055 7.280 -6.772 1.00 0.00 C ATOM 590 CG PRO A 38 -6.131 6.701 -8.186 1.00 0.00 C ATOM 591 CD PRO A 38 -7.447 5.929 -8.206 1.00 0.00 C ATOM 0 HA PRO A 38 -6.252 5.663 -5.319 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -6.456 8.293 -6.738 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -5.024 7.334 -6.422 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -6.120 7.488 -8.940 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -5.283 6.048 -8.395 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -8.252 6.537 -8.619 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -7.369 5.038 -8.828 1.00 0.00 H new ATOM 599 N ASP A 39 -7.096 7.621 -3.860 1.00 0.00 N ATOM 600 CA ASP A 39 -7.716 8.465 -2.847 1.00 0.00 C ATOM 601 C ASP A 39 -8.670 7.672 -1.960 1.00 0.00 C ATOM 602 O ASP A 39 -8.720 7.894 -0.752 1.00 0.00 O ATOM 603 CB ASP A 39 -8.436 9.641 -3.504 1.00 0.00 C ATOM 604 CG ASP A 39 -8.800 10.687 -2.460 1.00 0.00 C ATOM 605 OD1 ASP A 39 -9.948 10.626 -1.970 1.00 0.00 O ATOM 606 OD2 ASP A 39 -7.875 11.425 -2.056 1.00 0.00 O ATOM 0 H ASP A 39 -6.105 7.451 -3.686 1.00 0.00 H new ATOM 0 HA ASP A 39 -6.925 8.853 -2.206 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -7.798 10.086 -4.268 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -9.337 9.290 -4.006 1.00 0.00 H new ATOM 611 N GLN A 40 -9.422 6.741 -2.551 1.00 0.00 N ATOM 612 CA GLN A 40 -10.367 5.936 -1.801 1.00 0.00 C ATOM 613 C GLN A 40 -9.611 5.011 -0.856 1.00 0.00 C ATOM 614 O GLN A 40 -10.188 4.496 0.100 1.00 0.00 O ATOM 615 CB GLN A 40 -11.239 5.138 -2.767 1.00 0.00 C ATOM 616 CG GLN A 40 -12.173 6.094 -3.509 1.00 0.00 C ATOM 617 CD GLN A 40 -13.051 5.348 -4.504 1.00 0.00 C ATOM 618 OE1 GLN A 40 -13.738 4.396 -4.139 1.00 0.00 O ATOM 619 NE2 GLN A 40 -13.067 5.811 -5.754 1.00 0.00 N ATOM 0 H GLN A 40 -9.389 6.532 -3.549 1.00 0.00 H new ATOM 0 HA GLN A 40 -11.014 6.581 -1.207 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -10.614 4.597 -3.477 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -11.819 4.394 -2.222 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -12.801 6.622 -2.792 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -11.585 6.847 -4.033 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -12.480 6.604 -6.012 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -13.667 5.372 -6.453 1.00 0.00 H new ATOM 628 N GLN A 41 -8.312 4.828 -1.106 1.00 0.00 N ATOM 629 CA GLN A 41 -7.469 4.005 -0.262 1.00 0.00 C ATOM 630 C GLN A 41 -6.397 4.865 0.399 1.00 0.00 C ATOM 631 O GLN A 41 -6.069 5.940 -0.101 1.00 0.00 O ATOM 632 CB GLN A 41 -6.848 2.892 -1.106 1.00 0.00 C ATOM 633 CG GLN A 41 -5.885 3.486 -2.135 1.00 0.00 C ATOM 634 CD GLN A 41 -5.309 2.400 -3.034 1.00 0.00 C ATOM 635 OE1 GLN A 41 -4.475 1.609 -2.599 1.00 0.00 O ATOM 636 NE2 GLN A 41 -5.743 2.371 -4.295 1.00 0.00 N ATOM 0 H GLN A 41 -7.825 5.248 -1.898 1.00 0.00 H new ATOM 0 HA GLN A 41 -8.064 3.549 0.529 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -6.317 2.190 -0.462 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -7.632 2.329 -1.613 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -6.407 4.226 -2.742 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -5.076 4.006 -1.623 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -6.437 3.048 -4.611 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -5.381 1.671 -4.943 1.00 0.00 H new ATOM 645 N ARG A 42 -5.816 4.370 1.495 1.00 0.00 N ATOM 646 CA ARG A 42 -4.750 5.071 2.189 1.00 0.00 C ATOM 647 C ARG A 42 -3.861 4.070 2.913 1.00 0.00 C ATOM 648 O ARG A 42 -4.348 3.082 3.459 1.00 0.00 O ATOM 649 CB ARG A 42 -5.350 6.082 3.161 1.00 0.00 C ATOM 650 CG ARG A 42 -5.008 7.490 2.677 1.00 0.00 C ATOM 651 CD ARG A 42 -5.802 8.523 3.469 1.00 0.00 C ATOM 652 NE ARG A 42 -7.226 8.453 3.140 1.00 0.00 N ATOM 653 CZ ARG A 42 -8.139 9.291 3.646 1.00 0.00 C ATOM 654 NH1 ARG A 42 -7.773 10.218 4.540 1.00 0.00 N ATOM 655 NH2 ARG A 42 -9.415 9.207 3.253 1.00 0.00 N ATOM 0 H ARG A 42 -6.074 3.478 1.918 1.00 0.00 H new ATOM 0 HA ARG A 42 -4.135 5.612 1.470 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -6.431 5.955 3.219 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -4.956 5.921 4.164 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -3.940 7.674 2.793 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -5.234 7.583 1.615 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -5.663 8.354 4.537 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -5.424 9.522 3.253 1.00 0.00 H new ATOM 0 HE ARG A 42 -7.539 7.729 2.493 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -6.799 10.285 4.835 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -8.468 10.857 4.926 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -9.692 8.504 2.568 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -10.111 9.846 3.639 1.00 0.00 H new ATOM 669 N LEU A 43 -2.553 4.337 2.917 1.00 0.00 N ATOM 670 CA LEU A 43 -1.562 3.403 3.418 1.00 0.00 C ATOM 671 C LEU A 43 -1.148 3.754 4.842 1.00 0.00 C ATOM 672 O LEU A 43 -1.226 4.911 5.251 1.00 0.00 O ATOM 673 CB LEU A 43 -0.339 3.472 2.505 1.00 0.00 C ATOM 674 CG LEU A 43 -0.578 2.675 1.225 1.00 0.00 C ATOM 675 CD1 LEU A 43 0.545 2.973 0.236 1.00 0.00 C ATOM 676 CD2 LEU A 43 -0.588 1.180 1.536 1.00 0.00 C ATOM 0 H LEU A 43 -2.158 5.211 2.570 1.00 0.00 H new ATOM 0 HA LEU A 43 -1.987 2.399 3.427 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -0.121 4.511 2.258 1.00 0.00 H new ATOM 0 HB3 LEU A 43 0.534 3.079 3.027 1.00 0.00 H new ATOM 0 HG LEU A 43 -1.540 2.959 0.797 1.00 0.00 H new ATOM 0 HD11 LEU A 43 0.382 2.407 -0.681 1.00 0.00 H new ATOM 0 HD12 LEU A 43 0.556 4.039 0.008 1.00 0.00 H new ATOM 0 HD13 LEU A 43 1.501 2.686 0.674 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -0.759 0.618 0.618 1.00 0.00 H new ATOM 0 HD22 LEU A 43 0.372 0.891 1.965 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -1.384 0.962 2.248 1.00 0.00 H new ATOM 688 N ALA A 44 -0.638 2.755 5.568 1.00 0.00 N ATOM 689 CA ALA A 44 -0.097 2.942 6.902 1.00 0.00 C ATOM 690 C ALA A 44 0.826 1.775 7.243 1.00 0.00 C ATOM 691 O ALA A 44 0.815 0.752 6.560 1.00 0.00 O ATOM 692 CB ALA A 44 -1.242 3.022 7.908 1.00 0.00 C ATOM 0 H ALA A 44 -0.592 1.791 5.238 1.00 0.00 H new ATOM 0 HA ALA A 44 0.474 3.869 6.942 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -0.837 3.162 8.910 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -1.889 3.863 7.657 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -1.819 2.098 7.876 1.00 0.00 H new ATOM 698 N PHE A 45 1.601 1.921 8.321 1.00 0.00 N ATOM 699 CA PHE A 45 2.493 0.877 8.796 1.00 0.00 C ATOM 700 C PHE A 45 2.547 0.906 10.317 1.00 0.00 C ATOM 701 O PHE A 45 3.079 1.850 10.896 1.00 0.00 O ATOM 702 CB PHE A 45 3.884 1.077 8.196 1.00 0.00 C ATOM 703 CG PHE A 45 4.808 -0.103 8.405 1.00 0.00 C ATOM 704 CD1 PHE A 45 5.303 -0.391 9.684 1.00 0.00 C ATOM 705 CD2 PHE A 45 5.155 -0.922 7.323 1.00 0.00 C ATOM 706 CE1 PHE A 45 6.149 -1.490 9.878 1.00 0.00 C ATOM 707 CE2 PHE A 45 6.000 -2.022 7.517 1.00 0.00 C ATOM 708 CZ PHE A 45 6.498 -2.306 8.795 1.00 0.00 C ATOM 0 H PHE A 45 1.623 2.770 8.885 1.00 0.00 H new ATOM 0 HA PHE A 45 2.120 -0.098 8.482 1.00 0.00 H new ATOM 0 HB2 PHE A 45 3.786 1.266 7.127 1.00 0.00 H new ATOM 0 HB3 PHE A 45 4.337 1.965 8.637 1.00 0.00 H new ATOM 0 HD1 PHE A 45 5.032 0.235 10.521 1.00 0.00 H new ATOM 0 HD2 PHE A 45 4.770 -0.705 6.337 1.00 0.00 H new ATOM 0 HE1 PHE A 45 6.533 -1.708 10.864 1.00 0.00 H new ATOM 0 HE2 PHE A 45 6.268 -2.651 6.681 1.00 0.00 H new ATOM 0 HZ PHE A 45 7.150 -3.153 8.945 1.00 0.00 H new ATOM 718 N ALA A 46 2.025 -0.141 10.962 1.00 0.00 N ATOM 719 CA ALA A 46 1.989 -0.224 12.414 1.00 0.00 C ATOM 720 C ALA A 46 1.335 1.021 13.012 1.00 0.00 C ATOM 721 O ALA A 46 1.541 1.329 14.183 1.00 0.00 O ATOM 722 CB ALA A 46 3.404 -0.425 12.951 1.00 0.00 C ATOM 0 H ALA A 46 1.619 -0.949 10.490 1.00 0.00 H new ATOM 0 HA ALA A 46 1.383 -1.081 12.709 1.00 0.00 H new ATOM 0 HB1 ALA A 46 3.375 -0.487 14.039 1.00 0.00 H new ATOM 0 HB2 ALA A 46 3.819 -1.348 12.546 1.00 0.00 H new ATOM 0 HB3 ALA A 46 4.030 0.416 12.652 1.00 0.00 H new ATOM 728 N GLY A 47 0.563 1.746 12.198 1.00 0.00 N ATOM 729 CA GLY A 47 -0.158 2.925 12.642 1.00 0.00 C ATOM 730 C GLY A 47 0.522 4.200 12.156 1.00 0.00 C ATOM 731 O GLY A 47 -0.073 5.274 12.203 1.00 0.00 O ATOM 0 H GLY A 47 0.425 1.525 11.212 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -1.182 2.891 12.270 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -0.215 2.932 13.730 1.00 0.00 H new ATOM 735 N LYS A 48 1.756 4.083 11.659 1.00 0.00 N ATOM 736 CA LYS A 48 2.479 5.225 11.132 1.00 0.00 C ATOM 737 C LYS A 48 1.976 5.529 9.727 1.00 0.00 C ATOM 738 O LYS A 48 2.008 4.662 8.856 1.00 0.00 O ATOM 739 CB LYS A 48 3.976 4.916 11.113 1.00 0.00 C ATOM 740 CG LYS A 48 4.446 4.527 12.515 1.00 0.00 C ATOM 741 CD LYS A 48 5.943 4.221 12.490 1.00 0.00 C ATOM 742 CE LYS A 48 6.407 3.835 13.893 1.00 0.00 C ATOM 743 NZ LYS A 48 7.846 3.523 13.907 1.00 0.00 N ATOM 0 H LYS A 48 2.270 3.203 11.614 1.00 0.00 H new ATOM 0 HA LYS A 48 2.313 6.098 11.764 1.00 0.00 H new ATOM 0 HB2 LYS A 48 4.180 4.105 10.414 1.00 0.00 H new ATOM 0 HB3 LYS A 48 4.531 5.786 10.762 1.00 0.00 H new ATOM 0 HG2 LYS A 48 4.242 5.337 13.215 1.00 0.00 H new ATOM 0 HG3 LYS A 48 3.893 3.656 12.866 1.00 0.00 H new ATOM 0 HD2 LYS A 48 6.148 3.410 11.792 1.00 0.00 H new ATOM 0 HD3 LYS A 48 6.497 5.091 12.139 1.00 0.00 H new ATOM 0 HE2 LYS A 48 6.202 4.652 14.585 1.00 0.00 H new ATOM 0 HE3 LYS A 48 5.841 2.972 14.242 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 8.136 3.264 14.872 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 8.035 2.728 13.263 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 8.385 4.356 13.596 1.00 0.00 H new ATOM 757 N GLN A 49 1.490 6.753 9.510 1.00 0.00 N ATOM 758 CA GLN A 49 0.978 7.149 8.210 1.00 0.00 C ATOM 759 C GLN A 49 2.128 7.282 7.220 1.00 0.00 C ATOM 760 O GLN A 49 3.214 7.730 7.583 1.00 0.00 O ATOM 761 CB GLN A 49 0.212 8.467 8.334 1.00 0.00 C ATOM 762 CG GLN A 49 1.114 9.574 8.882 1.00 0.00 C ATOM 763 CD GLN A 49 0.358 10.894 8.967 1.00 0.00 C ATOM 764 OE1 GLN A 49 -0.265 11.316 7.997 1.00 0.00 O ATOM 765 NE2 GLN A 49 0.413 11.546 10.129 1.00 0.00 N ATOM 0 H GLN A 49 1.443 7.482 10.222 1.00 0.00 H new ATOM 0 HA GLN A 49 0.293 6.385 7.842 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -0.177 8.759 7.359 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -0.646 8.333 8.992 1.00 0.00 H new ATOM 0 HG2 GLN A 49 1.481 9.295 9.870 1.00 0.00 H new ATOM 0 HG3 GLN A 49 1.987 9.690 8.239 1.00 0.00 H new ATOM 0 HE21 GLN A 49 0.944 11.156 10.908 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -0.076 12.435 10.239 1.00 0.00 H new ATOM 774 N LEU A 50 1.898 6.862 5.974 1.00 0.00 N ATOM 775 CA LEU A 50 2.894 6.991 4.926 1.00 0.00 C ATOM 776 C LEU A 50 2.671 8.301 4.183 1.00 0.00 C ATOM 777 O LEU A 50 1.564 8.835 4.185 1.00 0.00 O ATOM 778 CB LEU A 50 2.795 5.809 3.962 1.00 0.00 C ATOM 779 CG LEU A 50 3.043 4.485 4.689 1.00 0.00 C ATOM 780 CD1 LEU A 50 3.028 3.348 3.669 1.00 0.00 C ATOM 781 CD2 LEU A 50 4.389 4.495 5.413 1.00 0.00 C ATOM 0 H LEU A 50 1.025 6.429 5.673 1.00 0.00 H new ATOM 0 HA LEU A 50 3.891 6.993 5.367 1.00 0.00 H new ATOM 0 HB2 LEU A 50 1.808 5.794 3.499 1.00 0.00 H new ATOM 0 HB3 LEU A 50 3.522 5.929 3.159 1.00 0.00 H new ATOM 0 HG LEU A 50 2.257 4.344 5.431 1.00 0.00 H new ATOM 0 HD11 LEU A 50 3.204 2.400 4.178 1.00 0.00 H new ATOM 0 HD12 LEU A 50 2.059 3.318 3.172 1.00 0.00 H new ATOM 0 HD13 LEU A 50 3.811 3.513 2.929 1.00 0.00 H new ATOM 0 HD21 LEU A 50 4.537 3.541 5.920 1.00 0.00 H new ATOM 0 HD22 LEU A 50 5.190 4.649 4.690 1.00 0.00 H new ATOM 0 HD23 LEU A 50 4.402 5.301 6.146 1.00 0.00 H new ATOM 793 N GLU A 51 3.719 8.804 3.529 1.00 0.00 N ATOM 794 CA GLU A 51 3.638 10.043 2.781 1.00 0.00 C ATOM 795 C GLU A 51 4.469 9.925 1.508 1.00 0.00 C ATOM 796 O GLU A 51 5.437 9.168 1.465 1.00 0.00 O ATOM 797 CB GLU A 51 4.135 11.183 3.668 1.00 0.00 C ATOM 798 CG GLU A 51 4.036 12.521 2.940 1.00 0.00 C ATOM 799 CD GLU A 51 4.371 13.666 3.886 1.00 0.00 C ATOM 800 OE1 GLU A 51 5.569 13.802 4.216 1.00 0.00 O ATOM 801 OE2 GLU A 51 3.412 14.338 4.324 1.00 0.00 O ATOM 0 H GLU A 51 4.638 8.362 3.507 1.00 0.00 H new ATOM 0 HA GLU A 51 2.608 10.250 2.490 1.00 0.00 H new ATOM 0 HB2 GLU A 51 3.547 11.219 4.585 1.00 0.00 H new ATOM 0 HB3 GLU A 51 5.169 10.998 3.959 1.00 0.00 H new ATOM 0 HG2 GLU A 51 4.719 12.531 2.090 1.00 0.00 H new ATOM 0 HG3 GLU A 51 3.030 12.652 2.542 1.00 0.00 H new ATOM 808 N ASP A 52 4.060 10.644 0.460 1.00 0.00 N ATOM 809 CA ASP A 52 4.734 10.614 -0.825 1.00 0.00 C ATOM 810 C ASP A 52 5.881 11.617 -0.851 1.00 0.00 C ATOM 811 O ASP A 52 5.936 12.527 -0.027 1.00 0.00 O ATOM 812 CB ASP A 52 3.732 10.934 -1.931 1.00 0.00 C ATOM 813 CG ASP A 52 3.158 12.335 -1.764 1.00 0.00 C ATOM 814 OD1 ASP A 52 2.091 12.439 -1.121 1.00 0.00 O ATOM 815 OD2 ASP A 52 3.736 13.262 -2.371 1.00 0.00 O ATOM 0 H ASP A 52 3.249 11.263 0.486 1.00 0.00 H new ATOM 0 HA ASP A 52 5.147 9.618 -0.986 1.00 0.00 H new ATOM 0 HB2 ASP A 52 4.219 10.851 -2.902 1.00 0.00 H new ATOM 0 HB3 ASP A 52 2.924 10.203 -1.916 1.00 0.00 H new ATOM 820 N GLY A 53 6.781 11.463 -1.825 1.00 0.00 N ATOM 821 CA GLY A 53 7.892 12.378 -2.005 1.00 0.00 C ATOM 822 C GLY A 53 9.205 11.725 -1.590 1.00 0.00 C ATOM 823 O GLY A 53 10.259 12.352 -1.680 1.00 0.00 O ATOM 0 H GLY A 53 6.754 10.702 -2.504 1.00 0.00 H new ATOM 0 HA2 GLY A 53 7.949 12.687 -3.049 1.00 0.00 H new ATOM 0 HA3 GLY A 53 7.726 13.279 -1.414 1.00 0.00 H new ATOM 827 N ARG A 54 9.147 10.472 -1.126 1.00 0.00 N ATOM 828 CA ARG A 54 10.337 9.776 -0.672 1.00 0.00 C ATOM 829 C ARG A 54 10.334 8.337 -1.178 1.00 0.00 C ATOM 830 O ARG A 54 9.276 7.755 -1.407 1.00 0.00 O ATOM 831 CB ARG A 54 10.382 9.824 0.859 1.00 0.00 C ATOM 832 CG ARG A 54 11.636 9.138 1.394 1.00 0.00 C ATOM 833 CD ARG A 54 11.718 9.313 2.913 1.00 0.00 C ATOM 834 NE ARG A 54 12.930 8.686 3.439 1.00 0.00 N ATOM 835 CZ ARG A 54 13.329 8.794 4.713 1.00 0.00 C ATOM 836 NH1 ARG A 54 12.608 9.513 5.583 1.00 0.00 N ATOM 837 NH2 ARG A 54 14.452 8.187 5.118 1.00 0.00 N ATOM 0 H ARG A 54 8.287 9.928 -1.058 1.00 0.00 H new ATOM 0 HA ARG A 54 11.228 10.262 -1.070 1.00 0.00 H new ATOM 0 HB2 ARG A 54 10.360 10.861 1.194 1.00 0.00 H new ATOM 0 HB3 ARG A 54 9.496 9.338 1.267 1.00 0.00 H new ATOM 0 HG2 ARG A 54 11.617 8.078 1.142 1.00 0.00 H new ATOM 0 HG3 ARG A 54 12.522 9.562 0.922 1.00 0.00 H new ATOM 0 HD2 ARG A 54 11.713 10.374 3.163 1.00 0.00 H new ATOM 0 HD3 ARG A 54 10.840 8.871 3.383 1.00 0.00 H new ATOM 0 HE ARG A 54 13.504 8.136 2.800 1.00 0.00 H new ATOM 0 HH11 ARG A 54 11.754 9.979 5.276 1.00 0.00 H new ATOM 0 HH12 ARG A 54 12.913 9.595 6.553 1.00 0.00 H new ATOM 0 HH21 ARG A 54 15.004 7.642 4.456 1.00 0.00 H new ATOM 0 HH22 ARG A 54 14.755 8.270 6.088 1.00 0.00 H new ATOM 851 N THR A 55 11.530 7.753 -1.286 1.00 0.00 N ATOM 852 CA THR A 55 11.719 6.370 -1.686 1.00 0.00 C ATOM 853 C THR A 55 11.049 5.463 -0.661 1.00 0.00 C ATOM 854 O THR A 55 11.413 5.482 0.513 1.00 0.00 O ATOM 855 CB THR A 55 13.223 6.099 -1.753 1.00 0.00 C ATOM 856 OG1 THR A 55 13.836 7.074 -2.568 1.00 0.00 O ATOM 857 CG2 THR A 55 13.495 4.717 -2.335 1.00 0.00 C ATOM 0 H THR A 55 12.404 8.242 -1.093 1.00 0.00 H new ATOM 0 HA THR A 55 11.273 6.176 -2.661 1.00 0.00 H new ATOM 0 HB THR A 55 13.631 6.142 -0.743 1.00 0.00 H new ATOM 0 HG1 THR A 55 14.800 6.904 -2.612 1.00 0.00 H new ATOM 0 HG21 THR A 55 14.570 4.544 -2.374 1.00 0.00 H new ATOM 0 HG22 THR A 55 13.028 3.959 -1.706 1.00 0.00 H new ATOM 0 HG23 THR A 55 13.081 4.658 -3.342 1.00 0.00 H new ATOM 865 N LEU A 56 10.055 4.684 -1.096 1.00 0.00 N ATOM 866 CA LEU A 56 9.275 3.868 -0.184 1.00 0.00 C ATOM 867 C LEU A 56 10.155 2.842 0.523 1.00 0.00 C ATOM 868 O LEU A 56 9.932 2.547 1.695 1.00 0.00 O ATOM 869 CB LEU A 56 8.137 3.185 -0.952 1.00 0.00 C ATOM 870 CG LEU A 56 8.662 2.206 -2.007 1.00 0.00 C ATOM 871 CD1 LEU A 56 8.753 0.794 -1.427 1.00 0.00 C ATOM 872 CD2 LEU A 56 7.691 2.176 -3.184 1.00 0.00 C ATOM 0 H LEU A 56 9.778 4.607 -2.074 1.00 0.00 H new ATOM 0 HA LEU A 56 8.845 4.510 0.585 1.00 0.00 H new ATOM 0 HB2 LEU A 56 7.495 2.652 -0.250 1.00 0.00 H new ATOM 0 HB3 LEU A 56 7.520 3.943 -1.436 1.00 0.00 H new ATOM 0 HG LEU A 56 9.652 2.533 -2.326 1.00 0.00 H new ATOM 0 HD11 LEU A 56 9.128 0.111 -2.189 1.00 0.00 H new ATOM 0 HD12 LEU A 56 9.432 0.794 -0.574 1.00 0.00 H new ATOM 0 HD13 LEU A 56 7.764 0.469 -1.103 1.00 0.00 H new ATOM 0 HD21 LEU A 56 8.057 1.481 -3.940 1.00 0.00 H new ATOM 0 HD22 LEU A 56 6.710 1.852 -2.838 1.00 0.00 H new ATOM 0 HD23 LEU A 56 7.612 3.174 -3.616 1.00 0.00 H new ATOM 884 N SER A 57 11.199 2.354 -0.155 1.00 0.00 N ATOM 885 CA SER A 57 12.065 1.342 0.425 1.00 0.00 C ATOM 886 C SER A 57 12.969 1.962 1.481 1.00 0.00 C ATOM 887 O SER A 57 13.475 1.259 2.354 1.00 0.00 O ATOM 888 CB SER A 57 12.904 0.703 -0.678 1.00 0.00 C ATOM 889 OG SER A 57 12.054 0.081 -1.614 1.00 0.00 O ATOM 0 H SER A 57 11.457 2.645 -1.098 1.00 0.00 H new ATOM 0 HA SER A 57 11.454 0.577 0.903 1.00 0.00 H new ATOM 0 HB2 SER A 57 13.513 1.460 -1.171 1.00 0.00 H new ATOM 0 HB3 SER A 57 13.589 -0.029 -0.251 1.00 0.00 H new ATOM 0 HG SER A 57 12.447 -0.771 -1.897 1.00 0.00 H new ATOM 895 N ASP A 58 13.166 3.279 1.410 1.00 0.00 N ATOM 896 CA ASP A 58 13.986 3.987 2.373 1.00 0.00 C ATOM 897 C ASP A 58 13.109 4.544 3.489 1.00 0.00 C ATOM 898 O ASP A 58 13.615 4.959 4.530 1.00 0.00 O ATOM 899 CB ASP A 58 14.732 5.112 1.660 1.00 0.00 C ATOM 900 CG ASP A 58 15.737 5.782 2.587 1.00 0.00 C ATOM 901 OD1 ASP A 58 15.490 6.956 2.936 1.00 0.00 O ATOM 902 OD2 ASP A 58 16.790 5.153 2.828 1.00 0.00 O ATOM 0 H ASP A 58 12.762 3.874 0.687 1.00 0.00 H new ATOM 0 HA ASP A 58 14.711 3.305 2.817 1.00 0.00 H new ATOM 0 HB2 ASP A 58 15.249 4.713 0.787 1.00 0.00 H new ATOM 0 HB3 ASP A 58 14.019 5.852 1.297 1.00 0.00 H new ATOM 907 N TYR A 59 11.792 4.556 3.266 1.00 0.00 N ATOM 908 CA TYR A 59 10.850 5.131 4.207 1.00 0.00 C ATOM 909 C TYR A 59 10.544 4.158 5.343 1.00 0.00 C ATOM 910 O TYR A 59 10.969 4.378 6.475 1.00 0.00 O ATOM 911 CB TYR A 59 9.575 5.527 3.462 1.00 0.00 C ATOM 912 CG TYR A 59 8.927 6.784 3.995 1.00 0.00 C ATOM 913 CD1 TYR A 59 8.487 7.771 3.103 1.00 0.00 C ATOM 914 CD2 TYR A 59 8.769 6.965 5.376 1.00 0.00 C ATOM 915 CE1 TYR A 59 7.891 8.943 3.586 1.00 0.00 C ATOM 916 CE2 TYR A 59 8.166 8.129 5.867 1.00 0.00 C ATOM 917 CZ TYR A 59 7.727 9.125 4.973 1.00 0.00 C ATOM 918 OH TYR A 59 7.140 10.261 5.447 1.00 0.00 O ATOM 0 H TYR A 59 11.358 4.167 2.429 1.00 0.00 H new ATOM 0 HA TYR A 59 11.292 6.020 4.657 1.00 0.00 H new ATOM 0 HB2 TYR A 59 9.810 5.669 2.407 1.00 0.00 H new ATOM 0 HB3 TYR A 59 8.860 4.707 3.522 1.00 0.00 H new ATOM 0 HD1 TYR A 59 8.608 7.628 2.039 1.00 0.00 H new ATOM 0 HD2 TYR A 59 9.113 6.205 6.062 1.00 0.00 H new ATOM 0 HE1 TYR A 59 7.558 9.705 2.897 1.00 0.00 H new ATOM 0 HE2 TYR A 59 8.037 8.263 6.931 1.00 0.00 H new ATOM 0 HH TYR A 59 7.104 10.226 6.426 1.00 0.00 H new ATOM 928 N ASN A 60 9.758 3.114 5.057 1.00 0.00 N ATOM 929 CA ASN A 60 9.346 2.164 6.077 1.00 0.00 C ATOM 930 C ASN A 60 9.169 0.772 5.481 1.00 0.00 C ATOM 931 O ASN A 60 9.203 -0.216 6.211 1.00 0.00 O ATOM 932 CB ASN A 60 8.029 2.623 6.702 1.00 0.00 C ATOM 933 CG ASN A 60 8.268 3.638 7.811 1.00 0.00 C ATOM 934 OD1 ASN A 60 8.858 3.308 8.838 1.00 0.00 O ATOM 935 ND2 ASN A 60 7.751 4.854 7.634 1.00 0.00 N ATOM 0 H ASN A 60 9.398 2.912 4.124 1.00 0.00 H new ATOM 0 HA ASN A 60 10.122 2.118 6.841 1.00 0.00 H new ATOM 0 HB2 ASN A 60 7.393 3.063 5.934 1.00 0.00 H new ATOM 0 HB3 ASN A 60 7.495 1.762 7.103 1.00 0.00 H new ATOM 0 HD21 ASN A 60 7.837 5.556 8.369 1.00 0.00 H new ATOM 0 HD22 ASN A 60 7.270 5.082 6.764 1.00 0.00 H new ATOM 942 N ILE A 61 8.892 0.693 4.177 1.00 0.00 N ATOM 943 CA ILE A 61 8.665 -0.585 3.527 1.00 0.00 C ATOM 944 C ILE A 61 9.871 -1.486 3.765 1.00 0.00 C ATOM 945 O ILE A 61 11.012 -1.040 3.660 1.00 0.00 O ATOM 946 CB ILE A 61 8.421 -0.369 2.031 1.00 0.00 C ATOM 947 CG1 ILE A 61 6.967 0.044 1.796 1.00 0.00 C ATOM 948 CG2 ILE A 61 8.669 -1.675 1.278 1.00 0.00 C ATOM 949 CD1 ILE A 61 6.742 1.489 2.234 1.00 0.00 C ATOM 0 H ILE A 61 8.821 1.501 3.558 1.00 0.00 H new ATOM 0 HA ILE A 61 7.781 -1.067 3.945 1.00 0.00 H new ATOM 0 HB ILE A 61 9.096 0.410 1.676 1.00 0.00 H new ATOM 0 HG12 ILE A 61 6.718 -0.065 0.740 1.00 0.00 H new ATOM 0 HG13 ILE A 61 6.301 -0.618 2.350 1.00 0.00 H new ATOM 0 HG21 ILE A 61 8.495 -1.520 0.213 1.00 0.00 H new ATOM 0 HG22 ILE A 61 9.699 -1.995 1.434 1.00 0.00 H new ATOM 0 HG23 ILE A 61 7.990 -2.443 1.648 1.00 0.00 H new ATOM 0 HD11 ILE A 61 5.702 1.764 2.059 1.00 0.00 H new ATOM 0 HD12 ILE A 61 6.970 1.587 3.295 1.00 0.00 H new ATOM 0 HD13 ILE A 61 7.393 2.149 1.661 1.00 0.00 H new ATOM 961 N GLN A 62 9.616 -2.759 4.079 1.00 0.00 N ATOM 962 CA GLN A 62 10.679 -3.713 4.330 1.00 0.00 C ATOM 963 C GLN A 62 10.406 -5.000 3.563 1.00 0.00 C ATOM 964 O GLN A 62 9.312 -5.197 3.038 1.00 0.00 O ATOM 965 CB GLN A 62 10.784 -3.974 5.832 1.00 0.00 C ATOM 966 CG GLN A 62 11.498 -2.803 6.506 1.00 0.00 C ATOM 967 CD GLN A 62 11.528 -2.971 8.020 1.00 0.00 C ATOM 968 OE1 GLN A 62 11.568 -4.091 8.525 1.00 0.00 O ATOM 969 NE2 GLN A 62 11.497 -1.853 8.746 1.00 0.00 N ATOM 0 H GLN A 62 8.676 -3.146 4.164 1.00 0.00 H new ATOM 0 HA GLN A 62 11.631 -3.309 3.985 1.00 0.00 H new ATOM 0 HB2 GLN A 62 9.790 -4.102 6.260 1.00 0.00 H new ATOM 0 HB3 GLN A 62 11.330 -4.900 6.013 1.00 0.00 H new ATOM 0 HG2 GLN A 62 12.517 -2.728 6.126 1.00 0.00 H new ATOM 0 HG3 GLN A 62 10.993 -1.871 6.251 1.00 0.00 H new ATOM 0 HE21 GLN A 62 11.464 -0.945 8.283 1.00 0.00 H new ATOM 0 HE22 GLN A 62 11.506 -1.906 9.765 1.00 0.00 H new ATOM 978 N LYS A 63 11.415 -5.871 3.498 1.00 0.00 N ATOM 979 CA LYS A 63 11.344 -7.112 2.752 1.00 0.00 C ATOM 980 C LYS A 63 10.294 -8.047 3.342 1.00 0.00 C ATOM 981 O LYS A 63 10.344 -8.381 4.524 1.00 0.00 O ATOM 982 CB LYS A 63 12.725 -7.770 2.730 1.00 0.00 C ATOM 983 CG LYS A 63 13.247 -8.004 4.146 1.00 0.00 C ATOM 984 CD LYS A 63 14.669 -8.555 4.075 1.00 0.00 C ATOM 985 CE LYS A 63 15.184 -8.804 5.489 1.00 0.00 C ATOM 986 NZ LYS A 63 16.567 -9.306 5.469 1.00 0.00 N ATOM 0 H LYS A 63 12.308 -5.726 3.968 1.00 0.00 H new ATOM 0 HA LYS A 63 11.040 -6.896 1.728 1.00 0.00 H new ATOM 0 HB2 LYS A 63 12.670 -8.720 2.198 1.00 0.00 H new ATOM 0 HB3 LYS A 63 13.423 -7.138 2.182 1.00 0.00 H new ATOM 0 HG2 LYS A 63 13.234 -7.071 4.710 1.00 0.00 H new ATOM 0 HG3 LYS A 63 12.599 -8.704 4.674 1.00 0.00 H new ATOM 0 HD2 LYS A 63 14.684 -9.482 3.502 1.00 0.00 H new ATOM 0 HD3 LYS A 63 15.319 -7.850 3.558 1.00 0.00 H new ATOM 0 HE2 LYS A 63 15.138 -7.879 6.064 1.00 0.00 H new ATOM 0 HE3 LYS A 63 14.540 -9.525 5.992 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 16.892 -9.467 6.444 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 16.604 -10.200 4.940 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 17.184 -8.606 5.009 1.00 0.00 H new ATOM 1000 N GLU A 64 9.342 -8.464 2.503 1.00 0.00 N ATOM 1001 CA GLU A 64 8.306 -9.411 2.878 1.00 0.00 C ATOM 1002 C GLU A 64 7.705 -9.061 4.236 1.00 0.00 C ATOM 1003 O GLU A 64 7.464 -9.947 5.054 1.00 0.00 O ATOM 1004 CB GLU A 64 8.887 -10.826 2.875 1.00 0.00 C ATOM 1005 CG GLU A 64 9.323 -11.212 1.462 1.00 0.00 C ATOM 1006 CD GLU A 64 10.674 -10.600 1.114 1.00 0.00 C ATOM 1007 OE1 GLU A 64 10.700 -9.778 0.171 1.00 0.00 O ATOM 1008 OE2 GLU A 64 11.670 -11.020 1.742 1.00 0.00 O ATOM 0 H GLU A 64 9.274 -8.146 1.536 1.00 0.00 H new ATOM 0 HA GLU A 64 7.497 -9.360 2.149 1.00 0.00 H new ATOM 0 HB2 GLU A 64 9.738 -10.879 3.554 1.00 0.00 H new ATOM 0 HB3 GLU A 64 8.143 -11.534 3.240 1.00 0.00 H new ATOM 0 HG2 GLU A 64 9.381 -12.297 1.381 1.00 0.00 H new ATOM 0 HG3 GLU A 64 8.574 -10.878 0.744 1.00 0.00 H new ATOM 1015 N SER A 65 7.444 -7.772 4.468 1.00 0.00 N ATOM 1016 CA SER A 65 6.833 -7.329 5.707 1.00 0.00 C ATOM 1017 C SER A 65 5.356 -7.031 5.468 1.00 0.00 C ATOM 1018 O SER A 65 4.904 -6.998 4.325 1.00 0.00 O ATOM 1019 CB SER A 65 7.566 -6.092 6.217 1.00 0.00 C ATOM 1020 OG SER A 65 8.876 -6.452 6.596 1.00 0.00 O ATOM 0 H SER A 65 7.650 -7.022 3.808 1.00 0.00 H new ATOM 0 HA SER A 65 6.907 -8.111 6.462 1.00 0.00 H new ATOM 0 HB2 SER A 65 7.596 -5.327 5.441 1.00 0.00 H new ATOM 0 HB3 SER A 65 7.034 -5.664 7.066 1.00 0.00 H new ATOM 0 HG SER A 65 9.274 -7.018 5.902 1.00 0.00 H new ATOM 1026 N THR A 66 4.609 -6.806 6.552 1.00 0.00 N ATOM 1027 CA THR A 66 3.178 -6.582 6.471 1.00 0.00 C ATOM 1028 C THR A 66 2.865 -5.095 6.576 1.00 0.00 C ATOM 1029 O THR A 66 3.419 -4.398 7.424 1.00 0.00 O ATOM 1030 CB THR A 66 2.486 -7.366 7.585 1.00 0.00 C ATOM 1031 OG1 THR A 66 2.891 -8.715 7.523 1.00 0.00 O ATOM 1032 CG2 THR A 66 0.970 -7.284 7.419 1.00 0.00 C ATOM 0 H THR A 66 4.983 -6.776 7.500 1.00 0.00 H new ATOM 0 HA THR A 66 2.808 -6.931 5.507 1.00 0.00 H new ATOM 0 HB THR A 66 2.762 -6.939 8.549 1.00 0.00 H new ATOM 0 HG1 THR A 66 2.451 -9.222 8.237 1.00 0.00 H new ATOM 0 HG21 THR A 66 0.486 -7.846 8.218 1.00 0.00 H new ATOM 0 HG22 THR A 66 0.655 -6.242 7.466 1.00 0.00 H new ATOM 0 HG23 THR A 66 0.686 -7.706 6.455 1.00 0.00 H new ATOM 1040 N LEU A 67 1.967 -4.615 5.711 1.00 0.00 N ATOM 1041 CA LEU A 67 1.544 -3.226 5.702 1.00 0.00 C ATOM 1042 C LEU A 67 0.070 -3.156 6.085 1.00 0.00 C ATOM 1043 O LEU A 67 -0.585 -4.188 6.226 1.00 0.00 O ATOM 1044 CB LEU A 67 1.756 -2.633 4.308 1.00 0.00 C ATOM 1045 CG LEU A 67 3.196 -2.161 4.111 1.00 0.00 C ATOM 1046 CD1 LEU A 67 4.134 -3.349 3.905 1.00 0.00 C ATOM 1047 CD2 LEU A 67 3.252 -1.269 2.873 1.00 0.00 C ATOM 0 H LEU A 67 1.516 -5.187 4.997 1.00 0.00 H new ATOM 0 HA LEU A 67 2.132 -2.653 6.419 1.00 0.00 H new ATOM 0 HB2 LEU A 67 1.511 -3.380 3.553 1.00 0.00 H new ATOM 0 HB3 LEU A 67 1.074 -1.795 4.161 1.00 0.00 H new ATOM 0 HG LEU A 67 3.513 -1.615 4.999 1.00 0.00 H new ATOM 0 HD11 LEU A 67 5.153 -2.988 3.767 1.00 0.00 H new ATOM 0 HD12 LEU A 67 4.095 -3.999 4.779 1.00 0.00 H new ATOM 0 HD13 LEU A 67 3.824 -3.908 3.022 1.00 0.00 H new ATOM 0 HD21 LEU A 67 4.274 -0.924 2.719 1.00 0.00 H new ATOM 0 HD22 LEU A 67 2.925 -1.836 2.001 1.00 0.00 H new ATOM 0 HD23 LEU A 67 2.596 -0.410 3.014 1.00 0.00 H new ATOM 1059 N HIS A 68 -0.463 -1.939 6.218 1.00 0.00 N ATOM 1060 CA HIS A 68 -1.859 -1.741 6.562 1.00 0.00 C ATOM 1061 C HIS A 68 -2.500 -0.770 5.579 1.00 0.00 C ATOM 1062 O HIS A 68 -1.921 0.267 5.260 1.00 0.00 O ATOM 1063 CB HIS A 68 -1.972 -1.224 7.993 1.00 0.00 C ATOM 1064 CG HIS A 68 -3.401 -0.994 8.402 1.00 0.00 C ATOM 1065 ND1 HIS A 68 -4.420 -1.909 8.313 1.00 0.00 N ATOM 1066 CD2 HIS A 68 -3.930 0.185 8.841 1.00 0.00 C ATOM 1067 CE1 HIS A 68 -5.550 -1.288 8.700 1.00 0.00 C ATOM 1068 NE2 HIS A 68 -5.304 -0.005 9.032 1.00 0.00 N ATOM 0 H HIS A 68 0.062 -1.074 6.090 1.00 0.00 H new ATOM 0 HA HIS A 68 -2.388 -2.692 6.499 1.00 0.00 H new ATOM 0 HB2 HIS A 68 -1.512 -1.940 8.674 1.00 0.00 H new ATOM 0 HB3 HIS A 68 -1.415 -0.292 8.086 1.00 0.00 H new ATOM 0 HD2 HIS A 68 -3.385 1.102 9.011 1.00 0.00 H new ATOM 0 HE1 HIS A 68 -6.523 -1.755 8.739 1.00 0.00 H new ATOM 0 HE2 HIS A 68 -5.980 0.686 9.356 1.00 0.00 H new ATOM 1076 N LEU A 69 -3.680 -1.128 5.069 1.00 0.00 N ATOM 1077 CA LEU A 69 -4.386 -0.311 4.101 1.00 0.00 C ATOM 1078 C LEU A 69 -5.794 -0.030 4.612 1.00 0.00 C ATOM 1079 O LEU A 69 -6.398 -0.880 5.263 1.00 0.00 O ATOM 1080 CB LEU A 69 -4.430 -1.056 2.764 1.00 0.00 C ATOM 1081 CG LEU A 69 -5.014 -0.177 1.658 1.00 0.00 C ATOM 1082 CD1 LEU A 69 -3.980 0.855 1.219 1.00 0.00 C ATOM 1083 CD2 LEU A 69 -5.381 -1.048 0.460 1.00 0.00 C ATOM 0 H LEU A 69 -4.165 -1.990 5.319 1.00 0.00 H new ATOM 0 HA LEU A 69 -3.874 0.641 3.958 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -3.424 -1.372 2.488 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -5.030 -1.960 2.868 1.00 0.00 H new ATOM 0 HG LEU A 69 -5.901 0.331 2.036 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -4.401 1.479 0.431 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -3.706 1.480 2.069 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -3.093 0.345 0.843 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -5.798 -0.423 -0.330 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -4.489 -1.553 0.090 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -6.119 -1.791 0.763 1.00 0.00 H new ATOM 1095 N ALA A 70 -6.329 1.149 4.283 1.00 0.00 N ATOM 1096 CA ALA A 70 -7.675 1.527 4.672 1.00 0.00 C ATOM 1097 C ALA A 70 -8.454 1.939 3.432 1.00 0.00 C ATOM 1098 O ALA A 70 -7.888 2.540 2.521 1.00 0.00 O ATOM 1099 CB ALA A 70 -7.615 2.668 5.684 1.00 0.00 C ATOM 0 H ALA A 70 -5.837 1.860 3.742 1.00 0.00 H new ATOM 0 HA ALA A 70 -8.181 0.683 5.140 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -8.627 2.950 5.975 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -7.061 2.344 6.565 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -7.114 3.526 5.236 1.00 0.00 H new ATOM 1105 N LEU A 71 -9.742 1.588 3.384 1.00 0.00 N ATOM 1106 CA LEU A 71 -10.578 1.872 2.232 1.00 0.00 C ATOM 1107 C LEU A 71 -11.750 2.753 2.650 1.00 0.00 C ATOM 1108 O LEU A 71 -11.932 3.033 3.833 1.00 0.00 O ATOM 1109 CB LEU A 71 -11.100 0.564 1.623 1.00 0.00 C ATOM 1110 CG LEU A 71 -10.012 -0.270 0.933 1.00 0.00 C ATOM 1111 CD1 LEU A 71 -9.153 0.606 0.023 1.00 0.00 C ATOM 1112 CD2 LEU A 71 -9.123 -0.978 1.954 1.00 0.00 C ATOM 0 H LEU A 71 -10.225 1.103 4.140 1.00 0.00 H new ATOM 0 HA LEU A 71 -9.984 2.396 1.484 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -11.561 -0.034 2.409 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -11.881 0.796 0.899 1.00 0.00 H new ATOM 0 HG LEU A 71 -10.515 -1.025 0.329 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -8.389 -0.006 -0.456 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -9.782 1.064 -0.741 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -8.675 1.386 0.615 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -8.363 -1.560 1.433 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -8.640 -0.237 2.591 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -9.731 -1.642 2.567 1.00 0.00 H new ATOM 1124 N ARG A 72 -12.548 3.182 1.669 1.00 0.00 N ATOM 1125 CA ARG A 72 -13.717 4.007 1.915 1.00 0.00 C ATOM 1126 C ARG A 72 -14.810 3.190 2.592 1.00 0.00 C ATOM 1127 O ARG A 72 -14.729 1.964 2.652 1.00 0.00 O ATOM 1128 CB ARG A 72 -14.235 4.561 0.588 1.00 0.00 C ATOM 1129 CG ARG A 72 -14.582 3.407 -0.355 1.00 0.00 C ATOM 1130 CD ARG A 72 -15.355 3.936 -1.559 1.00 0.00 C ATOM 1131 NE ARG A 72 -16.686 4.401 -1.164 1.00 0.00 N ATOM 1132 CZ ARG A 72 -17.435 5.222 -1.913 1.00 0.00 C ATOM 1133 NH1 ARG A 72 -16.967 5.679 -3.081 1.00 0.00 N ATOM 1134 NH2 ARG A 72 -18.655 5.584 -1.495 1.00 0.00 N ATOM 0 H ARG A 72 -12.396 2.963 0.684 1.00 0.00 H new ATOM 0 HA ARG A 72 -13.438 4.830 2.573 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -15.116 5.179 0.761 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -13.480 5.202 0.131 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -13.670 2.910 -0.687 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -15.178 2.662 0.172 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -14.802 4.754 -2.020 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -15.448 3.151 -2.310 1.00 0.00 H new ATOM 0 HE ARG A 72 -17.063 4.083 -0.271 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -16.039 5.402 -3.402 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -17.538 6.304 -3.650 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -19.014 5.235 -0.606 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -19.225 6.209 -2.065 1.00 0.00 H new ATOM 1148 N LEU A 73 -15.856 3.872 3.067 1.00 0.00 N ATOM 1149 CA LEU A 73 -17.013 3.205 3.629 1.00 0.00 C ATOM 1150 C LEU A 73 -17.918 2.744 2.493 1.00 0.00 C ATOM 1151 O LEU A 73 -17.765 3.189 1.357 1.00 0.00 O ATOM 1152 CB LEU A 73 -17.765 4.169 4.547 1.00 0.00 C ATOM 1153 CG LEU A 73 -16.880 4.608 5.716 1.00 0.00 C ATOM 1154 CD1 LEU A 73 -17.648 5.607 6.577 1.00 0.00 C ATOM 1155 CD2 LEU A 73 -16.494 3.403 6.572 1.00 0.00 C ATOM 0 H LEU A 73 -15.916 4.890 3.069 1.00 0.00 H new ATOM 0 HA LEU A 73 -16.698 2.341 4.213 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -18.086 5.043 3.980 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -18.666 3.688 4.928 1.00 0.00 H new ATOM 0 HG LEU A 73 -15.974 5.068 5.322 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -17.023 5.924 7.412 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -17.917 6.475 5.975 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -18.554 5.137 6.960 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -15.865 3.731 7.399 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -17.395 2.933 6.966 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -15.946 2.684 5.962 1.00 0.00 H new ATOM 1167 N ARG A 74 -18.890 1.883 2.806 1.00 0.00 N ATOM 1168 CA ARG A 74 -19.836 1.403 1.815 1.00 0.00 C ATOM 1169 C ARG A 74 -20.870 2.484 1.529 1.00 0.00 C ATOM 1170 O ARG A 74 -21.311 2.636 0.391 1.00 0.00 O ATOM 1171 CB ARG A 74 -20.505 0.130 2.332 1.00 0.00 C ATOM 1172 CG ARG A 74 -21.470 -0.420 1.281 1.00 0.00 C ATOM 1173 CD ARG A 74 -22.004 -1.777 1.733 1.00 0.00 C ATOM 1174 NE ARG A 74 -22.653 -1.676 3.041 1.00 0.00 N ATOM 1175 CZ ARG A 74 -22.687 -2.675 3.933 1.00 0.00 C ATOM 1176 NH1 ARG A 74 -22.167 -3.871 3.623 1.00 0.00 N ATOM 1177 NH2 ARG A 74 -23.228 -2.471 5.140 1.00 0.00 N ATOM 0 H ARG A 74 -19.036 1.507 3.743 1.00 0.00 H new ATOM 0 HA ARG A 74 -19.317 1.171 0.885 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -19.748 -0.618 2.569 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -21.043 0.342 3.256 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -22.296 0.276 1.132 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -20.961 -0.520 0.322 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -22.715 -2.155 0.998 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -21.186 -2.495 1.784 1.00 0.00 H new ATOM 0 HE ARG A 74 -23.105 -0.795 3.287 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -21.745 -4.021 2.707 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -22.194 -4.631 4.303 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -23.613 -1.557 5.378 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -23.255 -3.230 5.821 1.00 0.00 H new ATOM 1191 N GLY A 75 -21.240 3.250 2.559 1.00 0.00 N ATOM 1192 CA GLY A 75 -22.201 4.328 2.417 1.00 0.00 C ATOM 1193 C GLY A 75 -23.578 3.894 2.907 1.00 0.00 C ATOM 1194 O GLY A 75 -24.531 4.667 2.839 1.00 0.00 O ATOM 0 H GLY A 75 -20.880 3.135 3.506 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -21.866 5.197 2.983 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -22.261 4.632 1.372 1.00 0.00 H new ATOM 1198 N GLY A 76 -23.683 2.659 3.401 1.00 0.00 N ATOM 1199 CA GLY A 76 -24.936 2.132 3.906 1.00 0.00 C ATOM 1200 C GLY A 76 -24.691 0.805 4.607 1.00 0.00 C ATOM 1201 O GLY A 76 -25.664 0.277 5.186 1.00 0.00 O ATOM 0 H GLY A 76 -22.902 2.005 3.459 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -25.387 2.842 4.599 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -25.641 1.996 3.086 1.00 0.00 H new TER 1205 GLY A 76