USER MOD reduce.3.24.130724 H: found=0, std=0, add=524, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 521 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 33 MET CE :methyl 150:sc= -0.949 (180deg=-1.45) USER MOD Set 1.2: A 38 ASN : amide:sc= -2.33! C(o=-3.3!,f=-8.3!) USER MOD Set 2.1: A 36 ASN : amide:sc=-0.00393 X(o=-0.83,f=-0.83) USER MOD Set 2.2: A 43 CYS SG : rot 100:sc= -0.831 USER MOD Set 3.1: A 5 SER OG : rot 180:sc= 0 USER MOD Set 3.2: A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ 139:sc= 0.0742 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 8 GLN : amide:sc= -0.0119 X(o=-0.012,f=-0.021) USER MOD Single : A 12 GLN : amide:sc= 0 X(o=0,f=-0.38) USER MOD Single : A 15 HIS : no HD1:sc= -0.729 K(o=-0.73,f=-0.13) USER MOD Single : A 19 GLN : amide:sc= -0.145 X(o=-0.14,f=-0.14) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 32 CYS SG : rot 180:sc= -0.612 USER MOD Single : A 35 GLN : amide:sc= -0.0139 X(o=-0.014,f=-0.11) USER MOD Single : A 37 ASN : amide:sc= 0 X(o=0,f=-0.36) USER MOD Single : A 39 ASN : amide:sc= -0.621 X(o=-0.62,f=-0.94) USER MOD Single : A 44 CYS SG : rot 53:sc= 1.07 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 49 GLN : amide:sc= 0 K(o=0,f=-0.94) USER MOD Single : A 51 SER OG : rot 100:sc= 1.16 USER MOD Single : A 52 THR OG1 : rot 180:sc=-0.00976 USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 5.071 5.756 -21.445 1.00 0.00 N ATOM 2 CA GLY A 1 6.375 5.647 -20.815 1.00 0.00 C ATOM 3 C GLY A 1 7.157 4.457 -21.375 1.00 0.00 C ATOM 4 O GLY A 1 6.568 3.518 -21.908 1.00 0.00 O ATOM 0 H1 GLY A 1 4.358 5.998 -20.728 1.00 0.00 H new ATOM 0 H2 GLY A 1 5.098 6.500 -22.171 1.00 0.00 H new ATOM 0 H3 GLY A 1 4.822 4.848 -21.888 1.00 0.00 H new ATOM 0 HA2 GLY A 1 6.939 6.566 -20.977 1.00 0.00 H new ATOM 0 HA3 GLY A 1 6.254 5.533 -19.738 1.00 0.00 H new ATOM 8 N SER A 2 8.472 4.535 -21.235 1.00 0.00 N ATOM 9 CA SER A 2 9.341 3.476 -21.720 1.00 0.00 C ATOM 10 C SER A 2 8.945 2.142 -21.085 1.00 0.00 C ATOM 11 O SER A 2 8.582 2.094 -19.910 1.00 0.00 O ATOM 12 CB SER A 2 10.809 3.790 -21.426 1.00 0.00 C ATOM 13 OG SER A 2 11.045 3.985 -20.034 1.00 0.00 O ATOM 0 H SER A 2 8.957 5.315 -20.792 1.00 0.00 H new ATOM 0 HA SER A 2 9.223 3.405 -22.801 1.00 0.00 H new ATOM 0 HB2 SER A 2 11.434 2.974 -21.789 1.00 0.00 H new ATOM 0 HB3 SER A 2 11.105 4.685 -21.973 1.00 0.00 H new ATOM 0 HG SER A 2 11.994 4.181 -19.887 1.00 0.00 H new ATOM 19 N SER A 3 9.030 1.092 -21.888 1.00 0.00 N ATOM 20 CA SER A 3 8.685 -0.239 -21.418 1.00 0.00 C ATOM 21 C SER A 3 9.955 -1.069 -21.220 1.00 0.00 C ATOM 22 O SER A 3 10.726 -1.264 -22.159 1.00 0.00 O ATOM 23 CB SER A 3 7.740 -0.940 -22.396 1.00 0.00 C ATOM 24 OG SER A 3 6.667 -1.595 -21.724 1.00 0.00 O ATOM 0 H SER A 3 9.333 1.136 -22.861 1.00 0.00 H new ATOM 0 HA SER A 3 8.169 -0.142 -20.463 1.00 0.00 H new ATOM 0 HB2 SER A 3 7.337 -0.209 -23.097 1.00 0.00 H new ATOM 0 HB3 SER A 3 8.300 -1.669 -22.982 1.00 0.00 H new ATOM 0 HG SER A 3 6.085 -2.029 -22.382 1.00 0.00 H new ATOM 30 N GLY A 4 10.133 -1.536 -19.993 1.00 0.00 N ATOM 31 CA GLY A 4 11.296 -2.341 -19.660 1.00 0.00 C ATOM 32 C GLY A 4 10.965 -3.833 -19.715 1.00 0.00 C ATOM 33 O GLY A 4 10.260 -4.283 -20.617 1.00 0.00 O ATOM 0 H GLY A 4 9.491 -1.372 -19.217 1.00 0.00 H new ATOM 0 HA2 GLY A 4 12.107 -2.119 -20.354 1.00 0.00 H new ATOM 0 HA3 GLY A 4 11.650 -2.080 -18.663 1.00 0.00 H new ATOM 37 N SER A 5 11.489 -4.560 -18.739 1.00 0.00 N ATOM 38 CA SER A 5 11.257 -5.992 -18.666 1.00 0.00 C ATOM 39 C SER A 5 10.439 -6.327 -17.416 1.00 0.00 C ATOM 40 O SER A 5 9.357 -6.903 -17.515 1.00 0.00 O ATOM 41 CB SER A 5 12.578 -6.764 -18.657 1.00 0.00 C ATOM 42 OG SER A 5 12.404 -8.117 -18.245 1.00 0.00 O ATOM 0 H SER A 5 12.073 -4.184 -17.992 1.00 0.00 H new ATOM 0 HA SER A 5 10.697 -6.293 -19.551 1.00 0.00 H new ATOM 0 HB2 SER A 5 13.017 -6.743 -19.654 1.00 0.00 H new ATOM 0 HB3 SER A 5 13.282 -6.269 -17.988 1.00 0.00 H new ATOM 0 HG SER A 5 13.270 -8.576 -18.254 1.00 0.00 H new ATOM 48 N SER A 6 10.988 -5.950 -16.271 1.00 0.00 N ATOM 49 CA SER A 6 10.323 -6.203 -15.004 1.00 0.00 C ATOM 50 C SER A 6 10.286 -4.922 -14.168 1.00 0.00 C ATOM 51 O SER A 6 11.294 -4.530 -13.582 1.00 0.00 O ATOM 52 CB SER A 6 11.020 -7.323 -14.229 1.00 0.00 C ATOM 53 OG SER A 6 10.789 -8.601 -14.815 1.00 0.00 O ATOM 0 H SER A 6 11.885 -5.471 -16.194 1.00 0.00 H new ATOM 0 HA SER A 6 9.302 -6.524 -15.212 1.00 0.00 H new ATOM 0 HB2 SER A 6 12.092 -7.128 -14.195 1.00 0.00 H new ATOM 0 HB3 SER A 6 10.664 -7.327 -13.199 1.00 0.00 H new ATOM 0 HG SER A 6 11.252 -9.289 -14.292 1.00 0.00 H new ATOM 59 N GLY A 7 9.114 -4.305 -14.139 1.00 0.00 N ATOM 60 CA GLY A 7 8.933 -3.077 -13.384 1.00 0.00 C ATOM 61 C GLY A 7 9.315 -3.275 -11.915 1.00 0.00 C ATOM 62 O GLY A 7 8.543 -3.835 -11.139 1.00 0.00 O ATOM 0 H GLY A 7 8.280 -4.633 -14.626 1.00 0.00 H new ATOM 0 HA2 GLY A 7 9.543 -2.285 -13.819 1.00 0.00 H new ATOM 0 HA3 GLY A 7 7.895 -2.753 -13.453 1.00 0.00 H new ATOM 66 N GLN A 8 10.507 -2.803 -11.579 1.00 0.00 N ATOM 67 CA GLN A 8 11.001 -2.921 -10.218 1.00 0.00 C ATOM 68 C GLN A 8 10.329 -1.882 -9.318 1.00 0.00 C ATOM 69 O GLN A 8 9.950 -0.807 -9.780 1.00 0.00 O ATOM 70 CB GLN A 8 12.524 -2.782 -10.173 1.00 0.00 C ATOM 71 CG GLN A 8 13.190 -4.134 -9.912 1.00 0.00 C ATOM 72 CD GLN A 8 14.359 -4.364 -10.872 1.00 0.00 C ATOM 73 OE1 GLN A 8 15.241 -3.536 -11.027 1.00 0.00 O ATOM 74 NE2 GLN A 8 14.316 -5.532 -11.507 1.00 0.00 N ATOM 0 H GLN A 8 11.144 -2.338 -12.226 1.00 0.00 H new ATOM 0 HA GLN A 8 10.749 -3.914 -9.846 1.00 0.00 H new ATOM 0 HB2 GLN A 8 12.883 -2.372 -11.117 1.00 0.00 H new ATOM 0 HB3 GLN A 8 12.806 -2.077 -9.391 1.00 0.00 H new ATOM 0 HG2 GLN A 8 13.547 -4.175 -8.883 1.00 0.00 H new ATOM 0 HG3 GLN A 8 12.457 -4.933 -10.028 1.00 0.00 H new ATOM 0 HE21 GLN A 8 13.548 -6.180 -11.331 1.00 0.00 H new ATOM 0 HE22 GLN A 8 15.051 -5.779 -12.170 1.00 0.00 H new ATOM 83 N ILE A 9 10.202 -2.239 -8.048 1.00 0.00 N ATOM 84 CA ILE A 9 9.583 -1.351 -7.079 1.00 0.00 C ATOM 85 C ILE A 9 10.099 0.073 -7.296 1.00 0.00 C ATOM 86 O ILE A 9 11.264 0.270 -7.636 1.00 0.00 O ATOM 87 CB ILE A 9 9.800 -1.874 -5.658 1.00 0.00 C ATOM 88 CG1 ILE A 9 8.747 -2.923 -5.293 1.00 0.00 C ATOM 89 CG2 ILE A 9 9.836 -0.723 -4.650 1.00 0.00 C ATOM 90 CD1 ILE A 9 7.375 -2.276 -5.091 1.00 0.00 C ATOM 0 H ILE A 9 10.517 -3.131 -7.668 1.00 0.00 H new ATOM 0 HA ILE A 9 8.503 -1.324 -7.222 1.00 0.00 H new ATOM 0 HB ILE A 9 10.772 -2.366 -5.620 1.00 0.00 H new ATOM 0 HG12 ILE A 9 8.687 -3.673 -6.082 1.00 0.00 H new ATOM 0 HG13 ILE A 9 9.046 -3.442 -4.382 1.00 0.00 H new ATOM 0 HG21 ILE A 9 9.991 -1.122 -3.648 1.00 0.00 H new ATOM 0 HG22 ILE A 9 10.652 -0.045 -4.901 1.00 0.00 H new ATOM 0 HG23 ILE A 9 8.891 -0.181 -4.682 1.00 0.00 H new ATOM 0 HD11 ILE A 9 6.645 -3.043 -4.833 1.00 0.00 H new ATOM 0 HD12 ILE A 9 7.433 -1.544 -4.285 1.00 0.00 H new ATOM 0 HD13 ILE A 9 7.068 -1.779 -6.011 1.00 0.00 H new ATOM 102 N ASP A 10 9.205 1.030 -7.090 1.00 0.00 N ATOM 103 CA ASP A 10 9.556 2.430 -7.259 1.00 0.00 C ATOM 104 C ASP A 10 9.544 3.122 -5.895 1.00 0.00 C ATOM 105 O ASP A 10 8.483 3.481 -5.386 1.00 0.00 O ATOM 106 CB ASP A 10 8.548 3.145 -8.161 1.00 0.00 C ATOM 107 CG ASP A 10 8.876 4.608 -8.464 1.00 0.00 C ATOM 108 OD1 ASP A 10 9.385 5.279 -7.540 1.00 0.00 O ATOM 109 OD2 ASP A 10 8.611 5.023 -9.613 1.00 0.00 O ATOM 0 H ASP A 10 8.239 0.863 -6.808 1.00 0.00 H new ATOM 0 HA ASP A 10 10.545 2.478 -7.715 1.00 0.00 H new ATOM 0 HB2 ASP A 10 8.477 2.602 -9.103 1.00 0.00 H new ATOM 0 HB3 ASP A 10 7.566 3.098 -7.691 1.00 0.00 H new ATOM 114 N PHE A 11 10.736 3.289 -5.341 1.00 0.00 N ATOM 115 CA PHE A 11 10.876 3.932 -4.046 1.00 0.00 C ATOM 116 C PHE A 11 10.313 5.354 -4.076 1.00 0.00 C ATOM 117 O PHE A 11 9.475 5.712 -3.249 1.00 0.00 O ATOM 118 CB PHE A 11 12.373 3.995 -3.737 1.00 0.00 C ATOM 119 CG PHE A 11 12.914 2.754 -3.023 1.00 0.00 C ATOM 120 CD1 PHE A 11 12.243 1.575 -3.108 1.00 0.00 C ATOM 121 CD2 PHE A 11 14.066 2.832 -2.305 1.00 0.00 C ATOM 122 CE1 PHE A 11 12.746 0.423 -2.446 1.00 0.00 C ATOM 123 CE2 PHE A 11 14.569 1.680 -1.643 1.00 0.00 C ATOM 124 CZ PHE A 11 13.898 0.500 -1.727 1.00 0.00 C ATOM 0 H PHE A 11 11.614 2.990 -5.766 1.00 0.00 H new ATOM 0 HA PHE A 11 10.328 3.369 -3.290 1.00 0.00 H new ATOM 0 HB2 PHE A 11 12.921 4.133 -4.669 1.00 0.00 H new ATOM 0 HB3 PHE A 11 12.570 4.871 -3.120 1.00 0.00 H new ATOM 0 HD1 PHE A 11 11.328 1.514 -3.678 1.00 0.00 H new ATOM 0 HD2 PHE A 11 14.598 3.769 -2.238 1.00 0.00 H new ATOM 0 HE1 PHE A 11 12.213 -0.514 -2.514 1.00 0.00 H new ATOM 0 HE2 PHE A 11 15.484 1.741 -1.073 1.00 0.00 H new ATOM 0 HZ PHE A 11 14.280 -0.376 -1.223 1.00 0.00 H new ATOM 134 N GLN A 12 10.796 6.127 -5.037 1.00 0.00 N ATOM 135 CA GLN A 12 10.352 7.503 -5.186 1.00 0.00 C ATOM 136 C GLN A 12 8.826 7.579 -5.110 1.00 0.00 C ATOM 137 O GLN A 12 8.275 8.519 -4.539 1.00 0.00 O ATOM 138 CB GLN A 12 10.866 8.107 -6.494 1.00 0.00 C ATOM 139 CG GLN A 12 10.792 9.635 -6.459 1.00 0.00 C ATOM 140 CD GLN A 12 11.336 10.240 -7.755 1.00 0.00 C ATOM 141 OE1 GLN A 12 11.165 9.707 -8.839 1.00 0.00 O ATOM 142 NE2 GLN A 12 11.999 11.379 -7.583 1.00 0.00 N ATOM 0 H GLN A 12 11.491 5.827 -5.721 1.00 0.00 H new ATOM 0 HA GLN A 12 10.767 8.089 -4.366 1.00 0.00 H new ATOM 0 HB2 GLN A 12 11.896 7.793 -6.664 1.00 0.00 H new ATOM 0 HB3 GLN A 12 10.276 7.730 -7.329 1.00 0.00 H new ATOM 0 HG2 GLN A 12 9.759 9.949 -6.312 1.00 0.00 H new ATOM 0 HG3 GLN A 12 11.363 10.011 -5.610 1.00 0.00 H new ATOM 0 HE21 GLN A 12 12.105 11.771 -6.647 1.00 0.00 H new ATOM 0 HE22 GLN A 12 12.401 11.861 -8.387 1.00 0.00 H new ATOM 151 N VAL A 13 8.185 6.576 -5.693 1.00 0.00 N ATOM 152 CA VAL A 13 6.734 6.517 -5.698 1.00 0.00 C ATOM 153 C VAL A 13 6.242 6.028 -4.334 1.00 0.00 C ATOM 154 O VAL A 13 5.199 6.467 -3.853 1.00 0.00 O ATOM 155 CB VAL A 13 6.249 5.643 -6.856 1.00 0.00 C ATOM 156 CG1 VAL A 13 4.742 5.396 -6.764 1.00 0.00 C ATOM 157 CG2 VAL A 13 6.622 6.263 -8.205 1.00 0.00 C ATOM 0 H VAL A 13 8.645 5.798 -6.165 1.00 0.00 H new ATOM 0 HA VAL A 13 6.313 7.509 -5.859 1.00 0.00 H new ATOM 0 HB VAL A 13 6.751 4.679 -6.780 1.00 0.00 H new ATOM 0 HG11 VAL A 13 4.424 4.772 -7.599 1.00 0.00 H new ATOM 0 HG12 VAL A 13 4.513 4.891 -5.826 1.00 0.00 H new ATOM 0 HG13 VAL A 13 4.214 6.349 -6.801 1.00 0.00 H new ATOM 0 HG21 VAL A 13 6.266 5.622 -9.011 1.00 0.00 H new ATOM 0 HG22 VAL A 13 6.161 7.247 -8.293 1.00 0.00 H new ATOM 0 HG23 VAL A 13 7.705 6.363 -8.273 1.00 0.00 H new ATOM 167 N LEU A 14 7.018 5.127 -3.750 1.00 0.00 N ATOM 168 CA LEU A 14 6.674 4.574 -2.451 1.00 0.00 C ATOM 169 C LEU A 14 6.779 5.671 -1.390 1.00 0.00 C ATOM 170 O LEU A 14 5.810 5.956 -0.688 1.00 0.00 O ATOM 171 CB LEU A 14 7.532 3.343 -2.149 1.00 0.00 C ATOM 172 CG LEU A 14 8.022 3.204 -0.706 1.00 0.00 C ATOM 173 CD1 LEU A 14 6.941 2.585 0.183 1.00 0.00 C ATOM 174 CD2 LEU A 14 9.333 2.418 -0.646 1.00 0.00 C ATOM 0 H LEU A 14 7.883 4.766 -4.152 1.00 0.00 H new ATOM 0 HA LEU A 14 5.642 4.224 -2.447 1.00 0.00 H new ATOM 0 HB2 LEU A 14 6.957 2.453 -2.404 1.00 0.00 H new ATOM 0 HB3 LEU A 14 8.401 3.360 -2.807 1.00 0.00 H new ATOM 0 HG LEU A 14 8.226 4.201 -0.317 1.00 0.00 H new ATOM 0 HD11 LEU A 14 7.315 2.497 1.203 1.00 0.00 H new ATOM 0 HD12 LEU A 14 6.055 3.220 0.175 1.00 0.00 H new ATOM 0 HD13 LEU A 14 6.682 1.596 -0.195 1.00 0.00 H new ATOM 0 HD21 LEU A 14 9.660 2.334 0.391 1.00 0.00 H new ATOM 0 HD22 LEU A 14 9.179 1.422 -1.060 1.00 0.00 H new ATOM 0 HD23 LEU A 14 10.096 2.938 -1.225 1.00 0.00 H new ATOM 186 N HIS A 15 7.964 6.258 -1.307 1.00 0.00 N ATOM 187 CA HIS A 15 8.208 7.318 -0.344 1.00 0.00 C ATOM 188 C HIS A 15 7.015 8.275 -0.320 1.00 0.00 C ATOM 189 O HIS A 15 6.454 8.548 0.740 1.00 0.00 O ATOM 190 CB HIS A 15 9.531 8.027 -0.640 1.00 0.00 C ATOM 191 CG HIS A 15 9.904 9.082 0.375 1.00 0.00 C ATOM 192 ND1 HIS A 15 11.102 9.066 1.067 1.00 0.00 N ATOM 193 CD2 HIS A 15 9.224 10.183 0.807 1.00 0.00 C ATOM 194 CE1 HIS A 15 11.131 10.115 1.876 1.00 0.00 C ATOM 195 NE2 HIS A 15 9.966 10.805 1.714 1.00 0.00 N ATOM 0 H HIS A 15 8.766 6.019 -1.891 1.00 0.00 H new ATOM 0 HA HIS A 15 8.307 6.891 0.654 1.00 0.00 H new ATOM 0 HB2 HIS A 15 10.327 7.284 -0.686 1.00 0.00 H new ATOM 0 HB3 HIS A 15 9.471 8.490 -1.625 1.00 0.00 H new ATOM 0 HD2 HIS A 15 8.247 10.495 0.468 1.00 0.00 H new ATOM 0 HE1 HIS A 15 11.936 10.378 2.546 1.00 0.00 H new ATOM 0 HE2 HIS A 15 9.708 11.659 2.209 1.00 0.00 H new ATOM 203 N ASP A 16 6.662 8.759 -1.502 1.00 0.00 N ATOM 204 CA ASP A 16 5.546 9.680 -1.631 1.00 0.00 C ATOM 205 C ASP A 16 4.347 9.133 -0.853 1.00 0.00 C ATOM 206 O ASP A 16 3.631 9.888 -0.198 1.00 0.00 O ATOM 207 CB ASP A 16 5.128 9.838 -3.094 1.00 0.00 C ATOM 208 CG ASP A 16 4.264 11.066 -3.391 1.00 0.00 C ATOM 209 OD1 ASP A 16 3.233 11.214 -2.700 1.00 0.00 O ATOM 210 OD2 ASP A 16 4.654 11.828 -4.302 1.00 0.00 O ATOM 0 H ASP A 16 7.130 8.530 -2.379 1.00 0.00 H new ATOM 0 HA ASP A 16 5.860 10.648 -1.240 1.00 0.00 H new ATOM 0 HB2 ASP A 16 6.026 9.887 -3.710 1.00 0.00 H new ATOM 0 HB3 ASP A 16 4.581 8.946 -3.398 1.00 0.00 H new ATOM 215 N LEU A 17 4.165 7.824 -0.953 1.00 0.00 N ATOM 216 CA LEU A 17 3.065 7.167 -0.267 1.00 0.00 C ATOM 217 C LEU A 17 3.395 7.053 1.223 1.00 0.00 C ATOM 218 O LEU A 17 2.579 7.409 2.072 1.00 0.00 O ATOM 219 CB LEU A 17 2.744 5.827 -0.931 1.00 0.00 C ATOM 220 CG LEU A 17 2.181 5.900 -2.352 1.00 0.00 C ATOM 221 CD1 LEU A 17 2.279 4.543 -3.050 1.00 0.00 C ATOM 222 CD2 LEU A 17 0.750 6.441 -2.347 1.00 0.00 C ATOM 0 H LEU A 17 4.761 7.201 -1.499 1.00 0.00 H new ATOM 0 HA LEU A 17 2.155 7.762 -0.348 1.00 0.00 H new ATOM 0 HB2 LEU A 17 3.654 5.228 -0.952 1.00 0.00 H new ATOM 0 HB3 LEU A 17 2.027 5.296 -0.304 1.00 0.00 H new ATOM 0 HG LEU A 17 2.788 6.601 -2.925 1.00 0.00 H new ATOM 0 HD11 LEU A 17 1.872 4.622 -4.058 1.00 0.00 H new ATOM 0 HD12 LEU A 17 3.323 4.236 -3.103 1.00 0.00 H new ATOM 0 HD13 LEU A 17 1.711 3.802 -2.487 1.00 0.00 H new ATOM 0 HD21 LEU A 17 0.373 6.483 -3.369 1.00 0.00 H new ATOM 0 HD22 LEU A 17 0.115 5.784 -1.753 1.00 0.00 H new ATOM 0 HD23 LEU A 17 0.741 7.442 -1.916 1.00 0.00 H new ATOM 234 N ARG A 18 4.592 6.554 1.495 1.00 0.00 N ATOM 235 CA ARG A 18 5.039 6.388 2.867 1.00 0.00 C ATOM 236 C ARG A 18 4.581 7.571 3.722 1.00 0.00 C ATOM 237 O ARG A 18 3.947 7.384 4.760 1.00 0.00 O ATOM 238 CB ARG A 18 6.563 6.275 2.940 1.00 0.00 C ATOM 239 CG ARG A 18 7.038 4.920 2.410 1.00 0.00 C ATOM 240 CD ARG A 18 7.925 4.211 3.436 1.00 0.00 C ATOM 241 NE ARG A 18 8.984 3.443 2.743 1.00 0.00 N ATOM 242 CZ ARG A 18 9.998 2.830 3.369 1.00 0.00 C ATOM 243 NH1 ARG A 18 10.098 2.892 4.704 1.00 0.00 N ATOM 244 NH2 ARG A 18 10.913 2.155 2.659 1.00 0.00 N ATOM 0 H ARG A 18 5.266 6.259 0.788 1.00 0.00 H new ATOM 0 HA ARG A 18 4.599 5.467 3.249 1.00 0.00 H new ATOM 0 HB2 ARG A 18 7.019 7.077 2.359 1.00 0.00 H new ATOM 0 HB3 ARG A 18 6.892 6.402 3.971 1.00 0.00 H new ATOM 0 HG2 ARG A 18 6.176 4.295 2.175 1.00 0.00 H new ATOM 0 HG3 ARG A 18 7.591 5.062 1.482 1.00 0.00 H new ATOM 0 HD2 ARG A 18 8.375 4.942 4.108 1.00 0.00 H new ATOM 0 HD3 ARG A 18 7.322 3.542 4.050 1.00 0.00 H new ATOM 0 HE ARG A 18 8.939 3.376 1.726 1.00 0.00 H new ATOM 0 HH11 ARG A 18 9.402 3.406 5.244 1.00 0.00 H new ATOM 0 HH12 ARG A 18 10.870 2.425 5.180 1.00 0.00 H new ATOM 0 HH21 ARG A 18 10.837 2.108 1.643 1.00 0.00 H new ATOM 0 HH22 ARG A 18 11.685 1.688 3.135 1.00 0.00 H new ATOM 258 N GLN A 19 4.919 8.764 3.254 1.00 0.00 N ATOM 259 CA GLN A 19 4.551 9.978 3.962 1.00 0.00 C ATOM 260 C GLN A 19 3.052 9.978 4.271 1.00 0.00 C ATOM 261 O GLN A 19 2.645 10.279 5.392 1.00 0.00 O ATOM 262 CB GLN A 19 4.946 11.221 3.163 1.00 0.00 C ATOM 263 CG GLN A 19 6.423 11.560 3.372 1.00 0.00 C ATOM 264 CD GLN A 19 6.653 12.181 4.752 1.00 0.00 C ATOM 265 OE1 GLN A 19 7.199 11.567 5.654 1.00 0.00 O ATOM 266 NE2 GLN A 19 6.209 13.429 4.864 1.00 0.00 N ATOM 0 H GLN A 19 5.444 8.915 2.393 1.00 0.00 H new ATOM 0 HA GLN A 19 5.097 10.005 4.905 1.00 0.00 H new ATOM 0 HB2 GLN A 19 4.754 11.053 2.103 1.00 0.00 H new ATOM 0 HB3 GLN A 19 4.328 12.066 3.469 1.00 0.00 H new ATOM 0 HG2 GLN A 19 7.025 10.657 3.271 1.00 0.00 H new ATOM 0 HG3 GLN A 19 6.754 12.252 2.598 1.00 0.00 H new ATOM 0 HE21 GLN A 19 5.761 13.884 4.069 1.00 0.00 H new ATOM 0 HE22 GLN A 19 6.316 13.931 5.745 1.00 0.00 H new ATOM 275 N LYS A 20 2.271 9.638 3.256 1.00 0.00 N ATOM 276 CA LYS A 20 0.827 9.596 3.404 1.00 0.00 C ATOM 277 C LYS A 20 0.445 8.418 4.303 1.00 0.00 C ATOM 278 O LYS A 20 -0.483 8.519 5.105 1.00 0.00 O ATOM 279 CB LYS A 20 0.148 9.568 2.033 1.00 0.00 C ATOM 280 CG LYS A 20 0.217 10.939 1.359 1.00 0.00 C ATOM 281 CD LYS A 20 -0.050 10.826 -0.143 1.00 0.00 C ATOM 282 CE LYS A 20 -0.285 12.205 -0.764 1.00 0.00 C ATOM 283 NZ LYS A 20 -1.712 12.584 -0.659 1.00 0.00 N ATOM 0 H LYS A 20 2.612 9.389 2.327 1.00 0.00 H new ATOM 0 HA LYS A 20 0.468 10.501 3.893 1.00 0.00 H new ATOM 0 HB2 LYS A 20 0.630 8.823 1.400 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -0.893 9.266 2.145 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -0.514 11.608 1.813 1.00 0.00 H new ATOM 0 HG3 LYS A 20 1.200 11.381 1.525 1.00 0.00 H new ATOM 0 HD2 LYS A 20 0.797 10.343 -0.631 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -0.921 10.193 -0.315 1.00 0.00 H new ATOM 0 HE2 LYS A 20 0.333 12.948 -0.259 1.00 0.00 H new ATOM 0 HE3 LYS A 20 0.019 12.196 -1.811 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -1.854 13.522 -1.085 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -2.295 11.884 -1.161 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -1.991 12.613 0.343 1.00 0.00 H new ATOM 297 N PHE A 21 1.180 7.328 4.140 1.00 0.00 N ATOM 298 CA PHE A 21 0.931 6.132 4.927 1.00 0.00 C ATOM 299 C PHE A 21 2.206 5.663 5.631 1.00 0.00 C ATOM 300 O PHE A 21 2.785 4.644 5.259 1.00 0.00 O ATOM 301 CB PHE A 21 0.469 5.045 3.955 1.00 0.00 C ATOM 302 CG PHE A 21 -0.736 5.444 3.101 1.00 0.00 C ATOM 303 CD1 PHE A 21 -0.554 6.168 1.964 1.00 0.00 C ATOM 304 CD2 PHE A 21 -1.989 5.075 3.479 1.00 0.00 C ATOM 305 CE1 PHE A 21 -1.673 6.538 1.172 1.00 0.00 C ATOM 306 CE2 PHE A 21 -3.108 5.445 2.687 1.00 0.00 C ATOM 307 CZ PHE A 21 -2.926 6.169 1.550 1.00 0.00 C ATOM 0 H PHE A 21 1.949 7.248 3.474 1.00 0.00 H new ATOM 0 HA PHE A 21 0.182 6.339 5.691 1.00 0.00 H new ATOM 0 HB2 PHE A 21 1.298 4.785 3.296 1.00 0.00 H new ATOM 0 HB3 PHE A 21 0.219 4.148 4.522 1.00 0.00 H new ATOM 0 HD1 PHE A 21 0.441 6.461 1.664 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -2.133 4.500 4.382 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -1.529 7.113 0.269 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -4.103 5.152 2.987 1.00 0.00 H new ATOM 0 HZ PHE A 21 -3.777 6.451 0.947 1.00 0.00 H new ATOM 317 N PRO A 22 2.616 6.450 6.662 1.00 0.00 N ATOM 318 CA PRO A 22 3.811 6.125 7.421 1.00 0.00 C ATOM 319 C PRO A 22 3.556 4.953 8.371 1.00 0.00 C ATOM 320 O PRO A 22 4.430 4.111 8.572 1.00 0.00 O ATOM 321 CB PRO A 22 4.177 7.410 8.147 1.00 0.00 C ATOM 322 CG PRO A 22 2.921 8.266 8.137 1.00 0.00 C ATOM 323 CD PRO A 22 1.955 7.664 7.130 1.00 0.00 C ATOM 0 HA PRO A 22 4.634 5.792 6.788 1.00 0.00 H new ATOM 0 HB2 PRO A 22 4.501 7.204 9.167 1.00 0.00 H new ATOM 0 HB3 PRO A 22 5.001 7.920 7.648 1.00 0.00 H new ATOM 0 HG2 PRO A 22 2.470 8.294 9.129 1.00 0.00 H new ATOM 0 HG3 PRO A 22 3.162 9.294 7.867 1.00 0.00 H new ATOM 0 HD2 PRO A 22 0.993 7.439 7.590 1.00 0.00 H new ATOM 0 HD3 PRO A 22 1.761 8.352 6.307 1.00 0.00 H new ATOM 331 N GLU A 23 2.355 4.937 8.931 1.00 0.00 N ATOM 332 CA GLU A 23 1.974 3.883 9.855 1.00 0.00 C ATOM 333 C GLU A 23 1.896 2.540 9.125 1.00 0.00 C ATOM 334 O GLU A 23 2.356 1.522 9.639 1.00 0.00 O ATOM 335 CB GLU A 23 0.649 4.211 10.544 1.00 0.00 C ATOM 336 CG GLU A 23 -0.489 4.310 9.526 1.00 0.00 C ATOM 337 CD GLU A 23 -1.722 4.971 10.145 1.00 0.00 C ATOM 338 OE1 GLU A 23 -2.333 4.324 11.023 1.00 0.00 O ATOM 339 OE2 GLU A 23 -2.027 6.109 9.726 1.00 0.00 O ATOM 0 H GLU A 23 1.633 5.638 8.762 1.00 0.00 H new ATOM 0 HA GLU A 23 2.739 3.810 10.628 1.00 0.00 H new ATOM 0 HB2 GLU A 23 0.417 3.441 11.280 1.00 0.00 H new ATOM 0 HB3 GLU A 23 0.740 5.152 11.086 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -0.159 4.885 8.661 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -0.748 3.314 9.166 1.00 0.00 H new ATOM 346 N VAL A 24 1.309 2.582 7.938 1.00 0.00 N ATOM 347 CA VAL A 24 1.164 1.381 7.132 1.00 0.00 C ATOM 348 C VAL A 24 2.535 0.729 6.945 1.00 0.00 C ATOM 349 O VAL A 24 3.541 1.422 6.801 1.00 0.00 O ATOM 350 CB VAL A 24 0.477 1.720 5.807 1.00 0.00 C ATOM 351 CG1 VAL A 24 0.475 0.513 4.867 1.00 0.00 C ATOM 352 CG2 VAL A 24 -0.945 2.234 6.043 1.00 0.00 C ATOM 0 H VAL A 24 0.928 3.428 7.515 1.00 0.00 H new ATOM 0 HA VAL A 24 0.526 0.656 7.638 1.00 0.00 H new ATOM 0 HB VAL A 24 1.046 2.517 5.328 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -0.019 0.780 3.933 1.00 0.00 H new ATOM 0 HG12 VAL A 24 1.502 0.210 4.661 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -0.059 -0.313 5.337 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -1.411 2.468 5.086 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -1.529 1.468 6.553 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -0.909 3.133 6.658 1.00 0.00 H new ATOM 362 N PRO A 25 2.531 -0.631 6.953 1.00 0.00 N ATOM 363 CA PRO A 25 3.762 -1.384 6.786 1.00 0.00 C ATOM 364 C PRO A 25 4.226 -1.360 5.328 1.00 0.00 C ATOM 365 O PRO A 25 3.552 -1.895 4.449 1.00 0.00 O ATOM 366 CB PRO A 25 3.438 -2.783 7.283 1.00 0.00 C ATOM 367 CG PRO A 25 1.921 -2.888 7.274 1.00 0.00 C ATOM 368 CD PRO A 25 1.358 -1.484 7.121 1.00 0.00 C ATOM 0 HA PRO A 25 4.594 -0.959 7.347 1.00 0.00 H new ATOM 0 HB2 PRO A 25 3.886 -3.540 6.639 1.00 0.00 H new ATOM 0 HB3 PRO A 25 3.835 -2.943 8.286 1.00 0.00 H new ATOM 0 HG2 PRO A 25 1.587 -3.525 6.455 1.00 0.00 H new ATOM 0 HG3 PRO A 25 1.564 -3.344 8.198 1.00 0.00 H new ATOM 0 HD2 PRO A 25 0.692 -1.416 6.261 1.00 0.00 H new ATOM 0 HD3 PRO A 25 0.778 -1.192 7.997 1.00 0.00 H new ATOM 376 N GLU A 26 5.374 -0.733 5.116 1.00 0.00 N ATOM 377 CA GLU A 26 5.936 -0.632 3.780 1.00 0.00 C ATOM 378 C GLU A 26 5.804 -1.968 3.046 1.00 0.00 C ATOM 379 O GLU A 26 5.246 -2.027 1.951 1.00 0.00 O ATOM 380 CB GLU A 26 7.395 -0.176 3.832 1.00 0.00 C ATOM 381 CG GLU A 26 7.894 0.225 2.442 1.00 0.00 C ATOM 382 CD GLU A 26 9.093 -0.628 2.022 1.00 0.00 C ATOM 383 OE1 GLU A 26 8.937 -1.869 2.028 1.00 0.00 O ATOM 384 OE2 GLU A 26 10.138 -0.021 1.705 1.00 0.00 O ATOM 0 H GLU A 26 5.930 -0.290 5.847 1.00 0.00 H new ATOM 0 HA GLU A 26 5.374 0.121 3.227 1.00 0.00 H new ATOM 0 HB2 GLU A 26 7.492 0.668 4.515 1.00 0.00 H new ATOM 0 HB3 GLU A 26 8.017 -0.979 4.228 1.00 0.00 H new ATOM 0 HG2 GLU A 26 7.089 0.110 1.716 1.00 0.00 H new ATOM 0 HG3 GLU A 26 8.175 1.278 2.442 1.00 0.00 H new ATOM 391 N VAL A 27 6.327 -3.008 3.679 1.00 0.00 N ATOM 392 CA VAL A 27 6.275 -4.340 3.100 1.00 0.00 C ATOM 393 C VAL A 27 4.918 -4.544 2.424 1.00 0.00 C ATOM 394 O VAL A 27 4.851 -5.012 1.288 1.00 0.00 O ATOM 395 CB VAL A 27 6.572 -5.389 4.174 1.00 0.00 C ATOM 396 CG1 VAL A 27 6.053 -4.937 5.540 1.00 0.00 C ATOM 397 CG2 VAL A 27 5.986 -6.749 3.788 1.00 0.00 C ATOM 0 H VAL A 27 6.789 -2.955 4.587 1.00 0.00 H new ATOM 0 HA VAL A 27 7.041 -4.454 2.333 1.00 0.00 H new ATOM 0 HB VAL A 27 7.654 -5.498 4.246 1.00 0.00 H new ATOM 0 HG11 VAL A 27 6.277 -5.700 6.285 1.00 0.00 H new ATOM 0 HG12 VAL A 27 6.537 -4.002 5.822 1.00 0.00 H new ATOM 0 HG13 VAL A 27 4.975 -4.786 5.488 1.00 0.00 H new ATOM 0 HG21 VAL A 27 6.211 -7.477 4.568 1.00 0.00 H new ATOM 0 HG22 VAL A 27 4.905 -6.661 3.675 1.00 0.00 H new ATOM 0 HG23 VAL A 27 6.424 -7.080 2.846 1.00 0.00 H new ATOM 407 N VAL A 28 3.870 -4.185 3.150 1.00 0.00 N ATOM 408 CA VAL A 28 2.519 -4.323 2.634 1.00 0.00 C ATOM 409 C VAL A 28 2.328 -3.368 1.454 1.00 0.00 C ATOM 410 O VAL A 28 1.800 -3.759 0.414 1.00 0.00 O ATOM 411 CB VAL A 28 1.504 -4.096 3.757 1.00 0.00 C ATOM 412 CG1 VAL A 28 0.092 -3.922 3.193 1.00 0.00 C ATOM 413 CG2 VAL A 28 1.550 -5.236 4.776 1.00 0.00 C ATOM 0 H VAL A 28 3.929 -3.798 4.092 1.00 0.00 H new ATOM 0 HA VAL A 28 2.353 -5.335 2.264 1.00 0.00 H new ATOM 0 HB VAL A 28 1.775 -3.175 4.272 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -0.610 -3.762 4.012 1.00 0.00 H new ATOM 0 HG12 VAL A 28 0.071 -3.062 2.524 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -0.192 -4.818 2.641 1.00 0.00 H new ATOM 0 HG21 VAL A 28 0.819 -5.050 5.563 1.00 0.00 H new ATOM 0 HG22 VAL A 28 1.317 -6.178 4.279 1.00 0.00 H new ATOM 0 HG23 VAL A 28 2.547 -5.294 5.213 1.00 0.00 H new ATOM 423 N VAL A 29 2.767 -2.135 1.655 1.00 0.00 N ATOM 424 CA VAL A 29 2.651 -1.121 0.620 1.00 0.00 C ATOM 425 C VAL A 29 3.231 -1.664 -0.687 1.00 0.00 C ATOM 426 O VAL A 29 2.540 -1.713 -1.704 1.00 0.00 O ATOM 427 CB VAL A 29 3.323 0.175 1.080 1.00 0.00 C ATOM 428 CG1 VAL A 29 3.369 1.200 -0.055 1.00 0.00 C ATOM 429 CG2 VAL A 29 2.621 0.750 2.311 1.00 0.00 C ATOM 0 H VAL A 29 3.204 -1.814 2.519 1.00 0.00 H new ATOM 0 HA VAL A 29 1.604 -0.881 0.436 1.00 0.00 H new ATOM 0 HB VAL A 29 4.350 -0.061 1.361 1.00 0.00 H new ATOM 0 HG11 VAL A 29 3.851 2.112 0.298 1.00 0.00 H new ATOM 0 HG12 VAL A 29 3.935 0.791 -0.892 1.00 0.00 H new ATOM 0 HG13 VAL A 29 2.354 1.429 -0.380 1.00 0.00 H new ATOM 0 HG21 VAL A 29 3.119 1.670 2.617 1.00 0.00 H new ATOM 0 HG22 VAL A 29 1.580 0.963 2.070 1.00 0.00 H new ATOM 0 HG23 VAL A 29 2.664 0.027 3.125 1.00 0.00 H new ATOM 439 N SER A 30 4.494 -2.060 -0.618 1.00 0.00 N ATOM 440 CA SER A 30 5.174 -2.598 -1.784 1.00 0.00 C ATOM 441 C SER A 30 4.227 -3.505 -2.571 1.00 0.00 C ATOM 442 O SER A 30 3.890 -3.212 -3.717 1.00 0.00 O ATOM 443 CB SER A 30 6.433 -3.368 -1.380 1.00 0.00 C ATOM 444 OG SER A 30 6.764 -4.382 -2.324 1.00 0.00 O ATOM 0 H SER A 30 5.064 -2.019 0.227 1.00 0.00 H new ATOM 0 HA SER A 30 5.477 -1.765 -2.418 1.00 0.00 H new ATOM 0 HB2 SER A 30 7.268 -2.674 -1.286 1.00 0.00 H new ATOM 0 HB3 SER A 30 6.282 -3.820 -0.400 1.00 0.00 H new ATOM 0 HG SER A 30 7.574 -4.850 -2.031 1.00 0.00 H new ATOM 450 N ARG A 31 3.822 -4.588 -1.924 1.00 0.00 N ATOM 451 CA ARG A 31 2.920 -5.540 -2.549 1.00 0.00 C ATOM 452 C ARG A 31 1.822 -4.804 -3.320 1.00 0.00 C ATOM 453 O ARG A 31 1.566 -5.107 -4.483 1.00 0.00 O ATOM 454 CB ARG A 31 2.275 -6.455 -1.505 1.00 0.00 C ATOM 455 CG ARG A 31 1.911 -7.810 -2.115 1.00 0.00 C ATOM 456 CD ARG A 31 1.192 -8.694 -1.094 1.00 0.00 C ATOM 457 NE ARG A 31 -0.270 -8.636 -1.315 1.00 0.00 N ATOM 458 CZ ARG A 31 -0.916 -9.338 -2.256 1.00 0.00 C ATOM 459 NH1 ARG A 31 -0.234 -10.156 -3.069 1.00 0.00 N ATOM 460 NH2 ARG A 31 -2.245 -9.222 -2.384 1.00 0.00 N ATOM 0 H ARG A 31 4.102 -4.827 -0.973 1.00 0.00 H new ATOM 0 HA ARG A 31 3.506 -6.149 -3.237 1.00 0.00 H new ATOM 0 HB2 ARG A 31 2.961 -6.600 -0.670 1.00 0.00 H new ATOM 0 HB3 ARG A 31 1.380 -5.980 -1.103 1.00 0.00 H new ATOM 0 HG2 ARG A 31 1.273 -7.661 -2.986 1.00 0.00 H new ATOM 0 HG3 ARG A 31 2.814 -8.311 -2.463 1.00 0.00 H new ATOM 0 HD2 ARG A 31 1.541 -9.723 -1.182 1.00 0.00 H new ATOM 0 HD3 ARG A 31 1.429 -8.362 -0.083 1.00 0.00 H new ATOM 0 HE ARG A 31 -0.821 -8.023 -0.713 1.00 0.00 H new ATOM 0 HH11 ARG A 31 0.777 -10.245 -2.972 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -0.726 -10.690 -3.785 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -2.765 -8.599 -1.765 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -2.737 -9.756 -3.100 1.00 0.00 H new ATOM 474 N CYS A 32 1.204 -3.849 -2.639 1.00 0.00 N ATOM 475 CA CYS A 32 0.140 -3.067 -3.245 1.00 0.00 C ATOM 476 C CYS A 32 0.682 -2.433 -4.528 1.00 0.00 C ATOM 477 O CYS A 32 0.089 -2.580 -5.596 1.00 0.00 O ATOM 478 CB CYS A 32 -0.412 -2.018 -2.278 1.00 0.00 C ATOM 479 SG CYS A 32 -2.239 -1.979 -2.373 1.00 0.00 S ATOM 0 H CYS A 32 1.420 -3.600 -1.674 1.00 0.00 H new ATOM 0 HA CYS A 32 -0.700 -3.717 -3.489 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -0.097 -2.248 -1.260 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -0.006 -1.037 -2.523 1.00 0.00 H new ATOM 0 HG CYS A 32 -2.698 -1.087 -1.546 1.00 0.00 H new ATOM 485 N MET A 33 1.802 -1.740 -4.380 1.00 0.00 N ATOM 486 CA MET A 33 2.430 -1.083 -5.514 1.00 0.00 C ATOM 487 C MET A 33 2.685 -2.074 -6.651 1.00 0.00 C ATOM 488 O MET A 33 2.155 -1.914 -7.749 1.00 0.00 O ATOM 489 CB MET A 33 3.755 -0.459 -5.072 1.00 0.00 C ATOM 490 CG MET A 33 3.521 0.855 -4.326 1.00 0.00 C ATOM 491 SD MET A 33 3.940 2.237 -5.375 1.00 0.00 S ATOM 492 CE MET A 33 5.719 2.094 -5.380 1.00 0.00 C ATOM 0 H MET A 33 2.290 -1.619 -3.493 1.00 0.00 H new ATOM 0 HA MET A 33 1.757 -0.307 -5.879 1.00 0.00 H new ATOM 0 HB2 MET A 33 4.292 -1.156 -4.429 1.00 0.00 H new ATOM 0 HB3 MET A 33 4.385 -0.279 -5.943 1.00 0.00 H new ATOM 0 HG2 MET A 33 2.478 0.926 -4.016 1.00 0.00 H new ATOM 0 HG3 MET A 33 4.125 0.880 -3.419 1.00 0.00 H new ATOM 0 HE1 MET A 33 6.112 2.472 -6.324 1.00 0.00 H new ATOM 0 HE2 MET A 33 6.133 2.675 -4.556 1.00 0.00 H new ATOM 0 HE3 MET A 33 6.000 1.047 -5.263 1.00 0.00 H new ATOM 502 N LEU A 34 3.496 -3.077 -6.348 1.00 0.00 N ATOM 503 CA LEU A 34 3.828 -4.094 -7.330 1.00 0.00 C ATOM 504 C LEU A 34 2.559 -4.508 -8.078 1.00 0.00 C ATOM 505 O LEU A 34 2.620 -4.899 -9.243 1.00 0.00 O ATOM 506 CB LEU A 34 4.560 -5.262 -6.666 1.00 0.00 C ATOM 507 CG LEU A 34 6.067 -5.086 -6.471 1.00 0.00 C ATOM 508 CD1 LEU A 34 6.693 -6.345 -5.867 1.00 0.00 C ATOM 509 CD2 LEU A 34 6.746 -4.679 -7.780 1.00 0.00 C ATOM 0 H LEU A 34 3.933 -3.207 -5.436 1.00 0.00 H new ATOM 0 HA LEU A 34 4.520 -3.696 -8.072 1.00 0.00 H new ATOM 0 HB2 LEU A 34 4.106 -5.442 -5.691 1.00 0.00 H new ATOM 0 HB3 LEU A 34 4.393 -6.157 -7.265 1.00 0.00 H new ATOM 0 HG LEU A 34 6.227 -4.275 -5.760 1.00 0.00 H new ATOM 0 HD11 LEU A 34 7.765 -6.193 -5.739 1.00 0.00 H new ATOM 0 HD12 LEU A 34 6.237 -6.549 -4.898 1.00 0.00 H new ATOM 0 HD13 LEU A 34 6.524 -7.191 -6.533 1.00 0.00 H new ATOM 0 HD21 LEU A 34 7.817 -4.561 -7.613 1.00 0.00 H new ATOM 0 HD22 LEU A 34 6.579 -5.451 -8.532 1.00 0.00 H new ATOM 0 HD23 LEU A 34 6.327 -3.735 -8.129 1.00 0.00 H new ATOM 521 N GLN A 35 1.439 -4.409 -7.377 1.00 0.00 N ATOM 522 CA GLN A 35 0.158 -4.769 -7.960 1.00 0.00 C ATOM 523 C GLN A 35 -0.332 -3.659 -8.892 1.00 0.00 C ATOM 524 O GLN A 35 -0.808 -3.933 -9.993 1.00 0.00 O ATOM 525 CB GLN A 35 -0.876 -5.066 -6.872 1.00 0.00 C ATOM 526 CG GLN A 35 -1.182 -6.563 -6.800 1.00 0.00 C ATOM 527 CD GLN A 35 -2.669 -6.807 -6.534 1.00 0.00 C ATOM 528 OE1 GLN A 35 -3.538 -6.351 -7.258 1.00 0.00 O ATOM 529 NE2 GLN A 35 -2.911 -7.549 -5.458 1.00 0.00 N ATOM 0 H GLN A 35 1.392 -4.085 -6.411 1.00 0.00 H new ATOM 0 HA GLN A 35 0.291 -5.678 -8.547 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -0.504 -4.721 -5.908 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -1.793 -4.513 -7.076 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -0.893 -7.042 -7.735 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -0.588 -7.022 -6.010 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -2.136 -7.899 -4.895 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -3.872 -7.768 -5.195 1.00 0.00 H new ATOM 538 N ASN A 36 -0.197 -2.429 -8.418 1.00 0.00 N ATOM 539 CA ASN A 36 -0.619 -1.277 -9.195 1.00 0.00 C ATOM 540 C ASN A 36 0.559 -0.770 -10.030 1.00 0.00 C ATOM 541 O ASN A 36 0.746 0.436 -10.178 1.00 0.00 O ATOM 542 CB ASN A 36 -1.078 -0.136 -8.285 1.00 0.00 C ATOM 543 CG ASN A 36 -2.372 -0.503 -7.556 1.00 0.00 C ATOM 544 OD1 ASN A 36 -3.430 -0.643 -8.147 1.00 0.00 O ATOM 545 ND2 ASN A 36 -2.230 -0.650 -6.242 1.00 0.00 N ATOM 0 H ASN A 36 0.199 -2.206 -7.505 1.00 0.00 H new ATOM 0 HA ASN A 36 -1.448 -1.586 -9.832 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -0.298 0.090 -7.558 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -1.233 0.766 -8.877 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -3.036 -0.894 -5.666 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -1.315 -0.518 -5.810 1.00 0.00 H new ATOM 552 N ASN A 37 1.322 -1.718 -10.554 1.00 0.00 N ATOM 553 CA ASN A 37 2.477 -1.384 -11.370 1.00 0.00 C ATOM 554 C ASN A 37 3.214 -0.199 -10.742 1.00 0.00 C ATOM 555 O ASN A 37 3.761 0.644 -11.451 1.00 0.00 O ATOM 556 CB ASN A 37 2.054 -0.980 -12.784 1.00 0.00 C ATOM 557 CG ASN A 37 3.134 -1.346 -13.805 1.00 0.00 C ATOM 558 OD1 ASN A 37 4.323 -1.284 -13.538 1.00 0.00 O ATOM 559 ND2 ASN A 37 2.655 -1.728 -14.985 1.00 0.00 N ATOM 0 H ASN A 37 1.163 -2.718 -10.429 1.00 0.00 H new ATOM 0 HA ASN A 37 3.119 -2.264 -11.422 1.00 0.00 H new ATOM 0 HB2 ASN A 37 1.119 -1.477 -13.044 1.00 0.00 H new ATOM 0 HB3 ASN A 37 1.865 0.093 -12.818 1.00 0.00 H new ATOM 0 HD21 ASN A 37 3.295 -1.992 -15.734 1.00 0.00 H new ATOM 0 HD22 ASN A 37 1.647 -1.757 -15.141 1.00 0.00 H new ATOM 566 N ASN A 38 3.205 -0.173 -9.417 1.00 0.00 N ATOM 567 CA ASN A 38 3.866 0.894 -8.685 1.00 0.00 C ATOM 568 C ASN A 38 3.270 2.239 -9.104 1.00 0.00 C ATOM 569 O ASN A 38 3.794 2.902 -9.998 1.00 0.00 O ATOM 570 CB ASN A 38 5.365 0.925 -8.990 1.00 0.00 C ATOM 571 CG ASN A 38 6.007 -0.439 -8.724 1.00 0.00 C ATOM 572 OD1 ASN A 38 6.087 -0.908 -7.601 1.00 0.00 O ATOM 573 ND2 ASN A 38 6.458 -1.046 -9.818 1.00 0.00 N ATOM 0 H ASN A 38 2.750 -0.874 -8.832 1.00 0.00 H new ATOM 0 HA ASN A 38 3.719 0.714 -7.620 1.00 0.00 H new ATOM 0 HB2 ASN A 38 5.522 1.208 -10.031 1.00 0.00 H new ATOM 0 HB3 ASN A 38 5.849 1.685 -8.376 1.00 0.00 H new ATOM 0 HD21 ASN A 38 6.903 -1.961 -9.747 1.00 0.00 H new ATOM 0 HD22 ASN A 38 6.359 -0.597 -10.728 1.00 0.00 H new ATOM 580 N ASN A 39 2.184 2.603 -8.439 1.00 0.00 N ATOM 581 CA ASN A 39 1.511 3.857 -8.731 1.00 0.00 C ATOM 582 C ASN A 39 1.540 4.748 -7.488 1.00 0.00 C ATOM 583 O ASN A 39 1.802 4.272 -6.384 1.00 0.00 O ATOM 584 CB ASN A 39 0.048 3.622 -9.110 1.00 0.00 C ATOM 585 CG ASN A 39 -0.221 4.056 -10.553 1.00 0.00 C ATOM 586 OD1 ASN A 39 -0.370 5.228 -10.858 1.00 0.00 O ATOM 587 ND2 ASN A 39 -0.276 3.049 -11.419 1.00 0.00 N ATOM 0 H ASN A 39 1.753 2.051 -7.698 1.00 0.00 H new ATOM 0 HA ASN A 39 2.028 4.330 -9.566 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -0.197 2.566 -8.992 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -0.601 4.177 -8.432 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -0.452 3.235 -12.406 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -0.142 2.091 -11.096 1.00 0.00 H new ATOM 594 N LEU A 40 1.268 6.026 -7.709 1.00 0.00 N ATOM 595 CA LEU A 40 1.260 6.988 -6.620 1.00 0.00 C ATOM 596 C LEU A 40 -0.161 7.113 -6.066 1.00 0.00 C ATOM 597 O LEU A 40 -0.459 6.599 -4.989 1.00 0.00 O ATOM 598 CB LEU A 40 1.861 8.319 -7.076 1.00 0.00 C ATOM 599 CG LEU A 40 2.402 9.225 -5.969 1.00 0.00 C ATOM 600 CD1 LEU A 40 3.591 10.050 -6.467 1.00 0.00 C ATOM 601 CD2 LEU A 40 1.293 10.108 -5.392 1.00 0.00 C ATOM 0 H LEU A 40 1.052 6.417 -8.626 1.00 0.00 H new ATOM 0 HA LEU A 40 1.893 6.643 -5.802 1.00 0.00 H new ATOM 0 HB2 LEU A 40 2.671 8.109 -7.774 1.00 0.00 H new ATOM 0 HB3 LEU A 40 1.099 8.869 -7.628 1.00 0.00 H new ATOM 0 HG LEU A 40 2.766 8.594 -5.158 1.00 0.00 H new ATOM 0 HD11 LEU A 40 3.956 10.685 -5.660 1.00 0.00 H new ATOM 0 HD12 LEU A 40 4.388 9.381 -6.791 1.00 0.00 H new ATOM 0 HD13 LEU A 40 3.277 10.672 -7.305 1.00 0.00 H new ATOM 0 HD21 LEU A 40 1.704 10.742 -4.607 1.00 0.00 H new ATOM 0 HD22 LEU A 40 0.877 10.733 -6.182 1.00 0.00 H new ATOM 0 HD23 LEU A 40 0.507 9.479 -4.975 1.00 0.00 H new ATOM 613 N ASP A 41 -1.000 7.800 -6.828 1.00 0.00 N ATOM 614 CA ASP A 41 -2.383 7.999 -6.427 1.00 0.00 C ATOM 615 C ASP A 41 -3.125 6.663 -6.492 1.00 0.00 C ATOM 616 O ASP A 41 -3.692 6.215 -5.496 1.00 0.00 O ATOM 617 CB ASP A 41 -3.092 8.979 -7.363 1.00 0.00 C ATOM 618 CG ASP A 41 -2.960 10.453 -6.975 1.00 0.00 C ATOM 619 OD1 ASP A 41 -2.489 10.703 -5.845 1.00 0.00 O ATOM 620 OD2 ASP A 41 -3.335 11.298 -7.818 1.00 0.00 O ATOM 0 H ASP A 41 -0.749 8.226 -7.720 1.00 0.00 H new ATOM 0 HA ASP A 41 -2.386 8.401 -5.414 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -2.697 8.847 -8.370 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -4.151 8.722 -7.400 1.00 0.00 H new ATOM 625 N ALA A 42 -3.099 6.064 -7.673 1.00 0.00 N ATOM 626 CA ALA A 42 -3.762 4.788 -7.880 1.00 0.00 C ATOM 627 C ALA A 42 -3.535 3.895 -6.659 1.00 0.00 C ATOM 628 O ALA A 42 -4.373 3.055 -6.334 1.00 0.00 O ATOM 629 CB ALA A 42 -3.250 4.149 -9.173 1.00 0.00 C ATOM 0 H ALA A 42 -2.629 6.439 -8.497 1.00 0.00 H new ATOM 0 HA ALA A 42 -4.837 4.929 -7.990 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -3.748 3.192 -9.328 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -3.463 4.809 -10.014 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -2.174 3.991 -9.099 1.00 0.00 H new ATOM 635 N CYS A 43 -2.396 4.107 -6.015 1.00 0.00 N ATOM 636 CA CYS A 43 -2.048 3.332 -4.836 1.00 0.00 C ATOM 637 C CYS A 43 -2.756 3.948 -3.629 1.00 0.00 C ATOM 638 O CYS A 43 -3.512 3.270 -2.935 1.00 0.00 O ATOM 639 CB CYS A 43 -0.533 3.260 -4.634 1.00 0.00 C ATOM 640 SG CYS A 43 -0.084 1.684 -3.819 1.00 0.00 S ATOM 0 H CYS A 43 -1.703 4.804 -6.287 1.00 0.00 H new ATOM 0 HA CYS A 43 -2.381 2.302 -4.964 1.00 0.00 H new ATOM 0 HB2 CYS A 43 -0.026 3.339 -5.595 1.00 0.00 H new ATOM 0 HB3 CYS A 43 -0.198 4.101 -4.027 1.00 0.00 H new ATOM 0 HG CYS A 43 0.345 0.841 -4.711 1.00 0.00 H new ATOM 646 N CYS A 44 -2.487 5.228 -3.415 1.00 0.00 N ATOM 647 CA CYS A 44 -3.089 5.944 -2.303 1.00 0.00 C ATOM 648 C CYS A 44 -4.564 5.547 -2.219 1.00 0.00 C ATOM 649 O CYS A 44 -5.042 5.143 -1.160 1.00 0.00 O ATOM 650 CB CYS A 44 -2.912 7.457 -2.443 1.00 0.00 C ATOM 651 SG CYS A 44 -3.711 8.313 -1.036 1.00 0.00 S ATOM 0 H CYS A 44 -1.860 5.788 -3.993 1.00 0.00 H new ATOM 0 HA CYS A 44 -2.587 5.670 -1.375 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -1.851 7.706 -2.476 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -3.349 7.797 -3.382 1.00 0.00 H new ATOM 0 HG CYS A 44 -3.266 7.820 0.081 1.00 0.00 H new ATOM 657 N ALA A 45 -5.244 5.675 -3.349 1.00 0.00 N ATOM 658 CA ALA A 45 -6.655 5.335 -3.416 1.00 0.00 C ATOM 659 C ALA A 45 -6.890 4.006 -2.695 1.00 0.00 C ATOM 660 O ALA A 45 -7.839 3.873 -1.924 1.00 0.00 O ATOM 661 CB ALA A 45 -7.101 5.291 -4.879 1.00 0.00 C ATOM 0 H ALA A 45 -4.844 6.010 -4.226 1.00 0.00 H new ATOM 0 HA ALA A 45 -7.256 6.093 -2.914 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -8.160 5.036 -4.929 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -6.941 6.267 -5.338 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -6.521 4.539 -5.414 1.00 0.00 H new ATOM 667 N VAL A 46 -6.008 3.056 -2.971 1.00 0.00 N ATOM 668 CA VAL A 46 -6.108 1.742 -2.358 1.00 0.00 C ATOM 669 C VAL A 46 -5.577 1.811 -0.925 1.00 0.00 C ATOM 670 O VAL A 46 -6.290 1.485 0.022 1.00 0.00 O ATOM 671 CB VAL A 46 -5.377 0.708 -3.217 1.00 0.00 C ATOM 672 CG1 VAL A 46 -5.336 -0.653 -2.519 1.00 0.00 C ATOM 673 CG2 VAL A 46 -6.018 0.594 -4.601 1.00 0.00 C ATOM 0 H VAL A 46 -5.221 3.170 -3.610 1.00 0.00 H new ATOM 0 HA VAL A 46 -7.149 1.423 -2.304 1.00 0.00 H new ATOM 0 HB VAL A 46 -4.350 1.048 -3.350 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -4.811 -1.370 -3.150 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -4.814 -0.558 -1.567 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -6.353 -1.002 -2.342 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -5.480 -0.147 -5.191 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -7.059 0.288 -4.496 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -5.973 1.560 -5.103 1.00 0.00 H new ATOM 683 N LEU A 47 -4.328 2.239 -0.810 1.00 0.00 N ATOM 684 CA LEU A 47 -3.693 2.356 0.491 1.00 0.00 C ATOM 685 C LEU A 47 -4.683 2.968 1.484 1.00 0.00 C ATOM 686 O LEU A 47 -4.605 2.708 2.684 1.00 0.00 O ATOM 687 CB LEU A 47 -2.378 3.129 0.379 1.00 0.00 C ATOM 688 CG LEU A 47 -1.184 2.346 -0.172 1.00 0.00 C ATOM 689 CD1 LEU A 47 -0.060 3.291 -0.602 1.00 0.00 C ATOM 690 CD2 LEU A 47 -0.701 1.302 0.837 1.00 0.00 C ATOM 0 H LEU A 47 -3.739 2.509 -1.598 1.00 0.00 H new ATOM 0 HA LEU A 47 -3.425 1.371 0.873 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -2.543 3.997 -0.259 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -2.115 3.505 1.368 1.00 0.00 H new ATOM 0 HG LEU A 47 -1.510 1.807 -1.062 1.00 0.00 H new ATOM 0 HD11 LEU A 47 0.776 2.709 -0.990 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -0.426 3.962 -1.379 1.00 0.00 H new ATOM 0 HD13 LEU A 47 0.272 3.876 0.256 1.00 0.00 H new ATOM 0 HD21 LEU A 47 0.148 0.759 0.421 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -0.398 1.799 1.758 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -1.509 0.602 1.051 1.00 0.00 H new ATOM 702 N SER A 48 -5.592 3.769 0.947 1.00 0.00 N ATOM 703 CA SER A 48 -6.596 4.420 1.771 1.00 0.00 C ATOM 704 C SER A 48 -7.643 3.400 2.223 1.00 0.00 C ATOM 705 O SER A 48 -7.979 3.332 3.404 1.00 0.00 O ATOM 706 CB SER A 48 -7.266 5.570 1.017 1.00 0.00 C ATOM 707 OG SER A 48 -8.564 5.860 1.529 1.00 0.00 O ATOM 0 H SER A 48 -5.654 3.982 -0.049 1.00 0.00 H new ATOM 0 HA SER A 48 -6.101 4.836 2.648 1.00 0.00 H new ATOM 0 HB2 SER A 48 -6.642 6.461 1.086 1.00 0.00 H new ATOM 0 HB3 SER A 48 -7.342 5.315 -0.040 1.00 0.00 H new ATOM 0 HG SER A 48 -8.958 6.601 1.022 1.00 0.00 H new ATOM 713 N GLN A 49 -8.130 2.632 1.259 1.00 0.00 N ATOM 714 CA GLN A 49 -9.132 1.620 1.543 1.00 0.00 C ATOM 715 C GLN A 49 -8.494 0.426 2.256 1.00 0.00 C ATOM 716 O GLN A 49 -9.144 -0.243 3.058 1.00 0.00 O ATOM 717 CB GLN A 49 -9.842 1.176 0.262 1.00 0.00 C ATOM 718 CG GLN A 49 -9.060 0.067 -0.443 1.00 0.00 C ATOM 719 CD GLN A 49 -9.785 -0.396 -1.708 1.00 0.00 C ATOM 720 OE1 GLN A 49 -9.429 -0.047 -2.822 1.00 0.00 O ATOM 721 NE2 GLN A 49 -10.819 -1.200 -1.476 1.00 0.00 N ATOM 0 H GLN A 49 -7.849 2.691 0.280 1.00 0.00 H new ATOM 0 HA GLN A 49 -9.882 2.056 2.204 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -10.845 0.822 0.502 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -9.956 2.028 -0.408 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -8.064 0.427 -0.701 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -8.928 -0.777 0.234 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -11.063 -1.453 -0.519 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -11.367 -1.563 -2.255 1.00 0.00 H new ATOM 730 N GLU A 50 -7.228 0.197 1.940 1.00 0.00 N ATOM 731 CA GLU A 50 -6.494 -0.904 2.541 1.00 0.00 C ATOM 732 C GLU A 50 -6.267 -0.640 4.031 1.00 0.00 C ATOM 733 O GLU A 50 -6.568 -1.489 4.868 1.00 0.00 O ATOM 734 CB GLU A 50 -5.166 -1.138 1.817 1.00 0.00 C ATOM 735 CG GLU A 50 -5.182 -2.467 1.058 1.00 0.00 C ATOM 736 CD GLU A 50 -5.953 -2.337 -0.257 1.00 0.00 C ATOM 737 OE1 GLU A 50 -6.938 -1.568 -0.265 1.00 0.00 O ATOM 738 OE2 GLU A 50 -5.539 -3.011 -1.226 1.00 0.00 O ATOM 0 H GLU A 50 -6.692 0.755 1.276 1.00 0.00 H new ATOM 0 HA GLU A 50 -7.090 -1.811 2.439 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -4.978 -0.320 1.121 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -4.349 -1.137 2.539 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -4.160 -2.786 0.855 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -5.640 -3.238 1.677 1.00 0.00 H new ATOM 745 N SER A 51 -5.738 0.541 4.316 1.00 0.00 N ATOM 746 CA SER A 51 -5.467 0.927 5.690 1.00 0.00 C ATOM 747 C SER A 51 -6.601 0.451 6.601 1.00 0.00 C ATOM 748 O SER A 51 -6.352 -0.129 7.657 1.00 0.00 O ATOM 749 CB SER A 51 -5.289 2.442 5.812 1.00 0.00 C ATOM 750 OG SER A 51 -4.152 2.906 5.090 1.00 0.00 O ATOM 0 H SER A 51 -5.490 1.243 3.619 1.00 0.00 H new ATOM 0 HA SER A 51 -4.536 0.453 6.001 1.00 0.00 H new ATOM 0 HB2 SER A 51 -6.183 2.943 5.441 1.00 0.00 H new ATOM 0 HB3 SER A 51 -5.186 2.711 6.863 1.00 0.00 H new ATOM 0 HG SER A 51 -4.440 3.281 4.232 1.00 0.00 H new ATOM 756 N THR A 52 -7.822 0.713 6.159 1.00 0.00 N ATOM 757 CA THR A 52 -8.994 0.319 6.921 1.00 0.00 C ATOM 758 C THR A 52 -9.015 -1.198 7.120 1.00 0.00 C ATOM 759 O THR A 52 -9.181 -1.678 8.241 1.00 0.00 O ATOM 760 CB THR A 52 -10.231 0.853 6.196 1.00 0.00 C ATOM 761 OG1 THR A 52 -10.135 2.268 6.341 1.00 0.00 O ATOM 762 CG2 THR A 52 -11.533 0.493 6.914 1.00 0.00 C ATOM 0 H THR A 52 -8.025 1.194 5.282 1.00 0.00 H new ATOM 0 HA THR A 52 -8.976 0.747 7.923 1.00 0.00 H new ATOM 0 HB THR A 52 -10.255 0.456 5.181 1.00 0.00 H new ATOM 0 HG1 THR A 52 -10.898 2.695 5.898 1.00 0.00 H new ATOM 0 HG21 THR A 52 -12.379 0.896 6.357 1.00 0.00 H new ATOM 0 HG22 THR A 52 -11.625 -0.591 6.979 1.00 0.00 H new ATOM 0 HG23 THR A 52 -11.524 0.917 7.918 1.00 0.00 H new ATOM 770 N ARG A 53 -8.844 -1.910 6.017 1.00 0.00 N ATOM 771 CA ARG A 53 -8.841 -3.363 6.056 1.00 0.00 C ATOM 772 C ARG A 53 -7.919 -3.861 7.171 1.00 0.00 C ATOM 773 O ARG A 53 -8.187 -4.890 7.790 1.00 0.00 O ATOM 774 CB ARG A 53 -8.379 -3.949 4.721 1.00 0.00 C ATOM 775 CG ARG A 53 -9.059 -5.292 4.447 1.00 0.00 C ATOM 776 CD ARG A 53 -8.600 -6.353 5.449 1.00 0.00 C ATOM 777 NE ARG A 53 -8.495 -7.670 4.781 1.00 0.00 N ATOM 778 CZ ARG A 53 -9.547 -8.390 4.370 1.00 0.00 C ATOM 779 NH1 ARG A 53 -10.790 -7.926 4.557 1.00 0.00 N ATOM 780 NH2 ARG A 53 -9.357 -9.574 3.772 1.00 0.00 N ATOM 0 H ARG A 53 -8.706 -1.508 5.090 1.00 0.00 H new ATOM 0 HA ARG A 53 -9.862 -3.692 6.249 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -8.606 -3.251 3.915 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -7.297 -4.081 4.733 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -10.141 -5.175 4.506 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -8.829 -5.620 3.433 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -7.635 -6.073 5.871 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -9.306 -6.412 6.278 1.00 0.00 H new ATOM 0 HE ARG A 53 -7.563 -8.053 4.624 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -10.935 -7.025 5.012 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -11.591 -8.474 4.244 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -8.411 -9.927 3.630 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -10.159 -10.122 3.459 1.00 0.00 H new ATOM 794 N TYR A 54 -6.851 -3.109 7.393 1.00 0.00 N ATOM 795 CA TYR A 54 -5.888 -3.462 8.422 1.00 0.00 C ATOM 796 C TYR A 54 -6.237 -2.792 9.753 1.00 0.00 C ATOM 797 O TYR A 54 -6.030 -3.373 10.817 1.00 0.00 O ATOM 798 CB TYR A 54 -4.538 -2.930 7.936 1.00 0.00 C ATOM 799 CG TYR A 54 -3.920 -3.747 6.800 1.00 0.00 C ATOM 800 CD1 TYR A 54 -4.596 -3.891 5.606 1.00 0.00 C ATOM 801 CD2 TYR A 54 -2.685 -4.341 6.970 1.00 0.00 C ATOM 802 CE1 TYR A 54 -4.014 -4.660 4.537 1.00 0.00 C ATOM 803 CE2 TYR A 54 -2.103 -5.110 5.900 1.00 0.00 C ATOM 804 CZ TYR A 54 -2.796 -5.231 4.737 1.00 0.00 C ATOM 805 OH TYR A 54 -2.247 -5.958 3.727 1.00 0.00 O ATOM 0 H TYR A 54 -6.631 -2.257 6.878 1.00 0.00 H new ATOM 0 HA TYR A 54 -5.879 -4.540 8.586 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -4.664 -1.900 7.602 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -3.843 -2.911 8.776 1.00 0.00 H new ATOM 0 HD1 TYR A 54 -5.562 -3.427 5.473 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -2.156 -4.229 7.905 1.00 0.00 H new ATOM 0 HE1 TYR A 54 -4.533 -4.781 3.598 1.00 0.00 H new ATOM 0 HE2 TYR A 54 -1.138 -5.580 6.019 1.00 0.00 H new ATOM 0 HH TYR A 54 -1.376 -6.305 4.010 1.00 0.00 H new ATOM 815 N LEU A 55 -6.762 -1.580 9.649 1.00 0.00 N ATOM 816 CA LEU A 55 -7.142 -0.826 10.831 1.00 0.00 C ATOM 817 C LEU A 55 -8.405 -0.016 10.529 1.00 0.00 C ATOM 818 O LEU A 55 -9.482 -0.583 10.351 1.00 0.00 O ATOM 819 CB LEU A 55 -5.970 0.025 11.324 1.00 0.00 C ATOM 820 CG LEU A 55 -4.795 -0.742 11.934 1.00 0.00 C ATOM 821 CD1 LEU A 55 -3.473 -0.016 11.676 1.00 0.00 C ATOM 822 CD2 LEU A 55 -5.024 -1.002 13.424 1.00 0.00 C ATOM 0 H LEU A 55 -6.933 -1.102 8.764 1.00 0.00 H new ATOM 0 HA LEU A 55 -7.383 -1.501 11.652 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -5.598 0.615 10.487 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -6.345 0.728 12.068 1.00 0.00 H new ATOM 0 HG LEU A 55 -4.730 -1.713 11.444 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -2.654 -0.582 12.120 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -3.311 0.074 10.602 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -3.511 0.978 12.122 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -4.174 -1.549 13.833 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -5.130 -0.052 13.947 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -5.931 -1.591 13.555 1.00 0.00 H new ATOM 834 N TYR A 56 -8.231 1.297 10.482 1.00 0.00 N ATOM 835 CA TYR A 56 -9.343 2.190 10.205 1.00 0.00 C ATOM 836 C TYR A 56 -8.861 3.468 9.515 1.00 0.00 C ATOM 837 O TYR A 56 -8.435 4.412 10.178 1.00 0.00 O ATOM 838 CB TYR A 56 -9.940 2.553 11.565 1.00 0.00 C ATOM 839 CG TYR A 56 -10.489 1.356 12.344 1.00 0.00 C ATOM 840 CD1 TYR A 56 -11.502 0.588 11.805 1.00 0.00 C ATOM 841 CD2 TYR A 56 -9.972 1.043 13.584 1.00 0.00 C ATOM 842 CE1 TYR A 56 -12.018 -0.539 12.538 1.00 0.00 C ATOM 843 CE2 TYR A 56 -10.488 -0.083 14.317 1.00 0.00 C ATOM 844 CZ TYR A 56 -11.486 -0.819 13.758 1.00 0.00 C ATOM 845 OH TYR A 56 -11.974 -1.883 14.450 1.00 0.00 O ATOM 0 H TYR A 56 -7.336 1.764 10.631 1.00 0.00 H new ATOM 0 HA TYR A 56 -10.066 1.710 9.546 1.00 0.00 H new ATOM 0 HB2 TYR A 56 -9.175 3.045 12.166 1.00 0.00 H new ATOM 0 HB3 TYR A 56 -10.742 3.276 11.417 1.00 0.00 H new ATOM 0 HD1 TYR A 56 -11.907 0.832 10.834 1.00 0.00 H new ATOM 0 HD2 TYR A 56 -9.179 1.643 14.005 1.00 0.00 H new ATOM 0 HE1 TYR A 56 -12.810 -1.148 12.128 1.00 0.00 H new ATOM 0 HE2 TYR A 56 -10.092 -0.338 15.289 1.00 0.00 H new ATOM 0 HH TYR A 56 -11.499 -1.964 15.304 1.00 0.00 H new ATOM 855 N GLY A 57 -8.945 3.456 8.193 1.00 0.00 N ATOM 856 CA GLY A 57 -8.523 4.602 7.406 1.00 0.00 C ATOM 857 C GLY A 57 -9.652 5.628 7.282 1.00 0.00 C ATOM 858 O GLY A 57 -10.237 6.036 8.285 1.00 0.00 O ATOM 0 H GLY A 57 -9.299 2.671 7.647 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -7.654 5.067 7.871 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -8.215 4.273 6.414 1.00 0.00 H new ATOM 862 N GLU A 58 -9.924 6.015 6.045 1.00 0.00 N ATOM 863 CA GLU A 58 -10.972 6.986 5.778 1.00 0.00 C ATOM 864 C GLU A 58 -12.342 6.305 5.792 1.00 0.00 C ATOM 865 O GLU A 58 -12.435 5.086 5.649 1.00 0.00 O ATOM 866 CB GLU A 58 -10.729 7.702 4.448 1.00 0.00 C ATOM 867 CG GLU A 58 -10.266 9.142 4.677 1.00 0.00 C ATOM 868 CD GLU A 58 -11.433 10.031 5.111 1.00 0.00 C ATOM 869 OE1 GLU A 58 -12.422 10.082 4.347 1.00 0.00 O ATOM 870 OE2 GLU A 58 -11.311 10.640 6.196 1.00 0.00 O ATOM 0 H GLU A 58 -9.437 5.674 5.216 1.00 0.00 H new ATOM 0 HA GLU A 58 -10.954 7.738 6.567 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -9.977 7.162 3.872 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -11.645 7.700 3.857 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -9.487 9.160 5.439 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -9.825 9.536 3.761 1.00 0.00 H new ATOM 877 N GLY A 59 -13.371 7.121 5.965 1.00 0.00 N ATOM 878 CA GLY A 59 -14.732 6.612 5.999 1.00 0.00 C ATOM 879 C GLY A 59 -15.023 5.743 4.775 1.00 0.00 C ATOM 880 O GLY A 59 -14.170 5.585 3.903 1.00 0.00 O ATOM 0 H GLY A 59 -13.290 8.131 6.083 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -14.883 6.029 6.908 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -15.435 7.445 6.034 1.00 0.00 H new ATOM 884 N ASP A 60 -16.232 5.201 4.748 1.00 0.00 N ATOM 885 CA ASP A 60 -16.647 4.351 3.645 1.00 0.00 C ATOM 886 C ASP A 60 -16.869 5.212 2.400 1.00 0.00 C ATOM 887 O ASP A 60 -16.935 6.437 2.491 1.00 0.00 O ATOM 888 CB ASP A 60 -17.960 3.634 3.965 1.00 0.00 C ATOM 889 CG ASP A 60 -17.883 2.627 5.114 1.00 0.00 C ATOM 890 OD1 ASP A 60 -17.875 3.089 6.275 1.00 0.00 O ATOM 891 OD2 ASP A 60 -17.835 1.417 4.805 1.00 0.00 O ATOM 0 H ASP A 60 -16.937 5.334 5.473 1.00 0.00 H new ATOM 0 HA ASP A 60 -15.865 3.611 3.477 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -18.715 4.382 4.207 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -18.301 3.115 3.069 1.00 0.00 H new ATOM 896 N LEU A 61 -16.979 4.537 1.265 1.00 0.00 N ATOM 897 CA LEU A 61 -17.193 5.224 0.003 1.00 0.00 C ATOM 898 C LEU A 61 -18.404 4.615 -0.707 1.00 0.00 C ATOM 899 O LEU A 61 -18.268 4.023 -1.776 1.00 0.00 O ATOM 900 CB LEU A 61 -15.915 5.209 -0.839 1.00 0.00 C ATOM 901 CG LEU A 61 -15.192 3.865 -0.937 1.00 0.00 C ATOM 902 CD1 LEU A 61 -14.352 3.785 -2.213 1.00 0.00 C ATOM 903 CD2 LEU A 61 -14.357 3.599 0.317 1.00 0.00 C ATOM 0 H LEU A 61 -16.924 3.521 1.193 1.00 0.00 H new ATOM 0 HA LEU A 61 -17.421 6.276 0.177 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -16.164 5.539 -1.847 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -15.223 5.942 -0.425 1.00 0.00 H new ATOM 0 HG LEU A 61 -15.943 3.077 -0.997 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -13.849 2.819 -2.257 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -15.000 3.897 -3.083 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -13.608 4.582 -2.210 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -13.853 2.637 0.221 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -13.614 4.388 0.433 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -15.008 3.582 1.191 1.00 0.00 H new ATOM 915 N ASN A 62 -19.561 4.780 -0.082 1.00 0.00 N ATOM 916 CA ASN A 62 -20.794 4.254 -0.640 1.00 0.00 C ATOM 917 C ASN A 62 -21.029 4.871 -2.020 1.00 0.00 C ATOM 918 O ASN A 62 -20.541 5.963 -2.307 1.00 0.00 O ATOM 919 CB ASN A 62 -21.993 4.603 0.244 1.00 0.00 C ATOM 920 CG ASN A 62 -22.336 3.446 1.185 1.00 0.00 C ATOM 921 OD1 ASN A 62 -21.979 3.433 2.351 1.00 0.00 O ATOM 922 ND2 ASN A 62 -23.047 2.478 0.614 1.00 0.00 N ATOM 0 H ASN A 62 -19.670 5.271 0.806 1.00 0.00 H new ATOM 0 HA ASN A 62 -20.698 3.170 -0.705 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -21.772 5.497 0.827 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -22.855 4.836 -0.381 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -23.326 1.662 1.158 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -23.313 2.552 -0.368 1.00 0.00 H new ATOM 929 N PHE A 63 -21.778 4.146 -2.839 1.00 0.00 N ATOM 930 CA PHE A 63 -22.083 4.609 -4.181 1.00 0.00 C ATOM 931 C PHE A 63 -20.806 4.975 -4.939 1.00 0.00 C ATOM 932 O PHE A 63 -19.716 4.964 -4.369 1.00 0.00 O ATOM 933 CB PHE A 63 -22.952 5.860 -4.036 1.00 0.00 C ATOM 934 CG PHE A 63 -24.424 5.641 -4.390 1.00 0.00 C ATOM 935 CD1 PHE A 63 -24.775 5.294 -5.657 1.00 0.00 C ATOM 936 CD2 PHE A 63 -25.382 5.792 -3.436 1.00 0.00 C ATOM 937 CE1 PHE A 63 -26.141 5.090 -5.985 1.00 0.00 C ATOM 938 CE2 PHE A 63 -26.749 5.588 -3.764 1.00 0.00 C ATOM 939 CZ PHE A 63 -27.099 5.241 -5.032 1.00 0.00 C ATOM 0 H PHE A 63 -22.182 3.241 -2.598 1.00 0.00 H new ATOM 0 HA PHE A 63 -22.591 3.823 -4.739 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -22.886 6.219 -3.009 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -22.549 6.646 -4.675 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -24.014 5.174 -6.414 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -25.103 6.067 -2.429 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -26.419 4.815 -6.992 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -27.510 5.708 -3.007 1.00 0.00 H new ATOM 0 HZ PHE A 63 -28.138 5.085 -5.282 1.00 0.00 H new ATOM 949 N SER A 64 -20.982 5.290 -6.214 1.00 0.00 N ATOM 950 CA SER A 64 -19.856 5.658 -7.057 1.00 0.00 C ATOM 951 C SER A 64 -19.009 4.422 -7.368 1.00 0.00 C ATOM 952 O SER A 64 -18.842 4.056 -8.530 1.00 0.00 O ATOM 953 CB SER A 64 -18.999 6.735 -6.390 1.00 0.00 C ATOM 954 OG SER A 64 -19.788 7.804 -5.876 1.00 0.00 O ATOM 0 H SER A 64 -21.887 5.298 -6.684 1.00 0.00 H new ATOM 0 HA SER A 64 -20.245 6.067 -7.989 1.00 0.00 H new ATOM 0 HB2 SER A 64 -18.422 6.289 -5.580 1.00 0.00 H new ATOM 0 HB3 SER A 64 -18.284 7.128 -7.112 1.00 0.00 H new ATOM 0 HG SER A 64 -19.204 8.470 -5.457 1.00 0.00 H new ATOM 960 N ASP A 65 -18.496 3.814 -6.308 1.00 0.00 N ATOM 961 CA ASP A 65 -17.671 2.627 -6.454 1.00 0.00 C ATOM 962 C ASP A 65 -16.439 2.968 -7.295 1.00 0.00 C ATOM 963 O ASP A 65 -16.478 3.883 -8.117 1.00 0.00 O ATOM 964 CB ASP A 65 -18.434 1.508 -7.165 1.00 0.00 C ATOM 965 CG ASP A 65 -19.247 0.594 -6.246 1.00 0.00 C ATOM 966 OD1 ASP A 65 -20.374 1.003 -5.891 1.00 0.00 O ATOM 967 OD2 ASP A 65 -18.723 -0.492 -5.919 1.00 0.00 O ATOM 0 H ASP A 65 -18.636 4.121 -5.345 1.00 0.00 H new ATOM 0 HA ASP A 65 -17.386 2.291 -5.457 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -19.108 1.956 -7.896 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -17.721 0.899 -7.720 1.00 0.00 H new ATOM 972 N ASP A 66 -15.375 2.214 -7.061 1.00 0.00 N ATOM 973 CA ASP A 66 -14.134 2.425 -7.788 1.00 0.00 C ATOM 974 C ASP A 66 -14.121 1.538 -9.035 1.00 0.00 C ATOM 975 O ASP A 66 -14.794 0.509 -9.076 1.00 0.00 O ATOM 976 CB ASP A 66 -12.924 2.051 -6.930 1.00 0.00 C ATOM 977 CG ASP A 66 -12.972 0.649 -6.319 1.00 0.00 C ATOM 978 OD1 ASP A 66 -13.874 0.425 -5.483 1.00 0.00 O ATOM 979 OD2 ASP A 66 -12.106 -0.167 -6.702 1.00 0.00 O ATOM 0 H ASP A 66 -15.346 1.456 -6.379 1.00 0.00 H new ATOM 0 HA ASP A 66 -14.075 3.480 -8.056 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -12.025 2.134 -7.541 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -12.830 2.779 -6.124 1.00 0.00 H new ATOM 984 N SER A 67 -13.349 1.971 -10.021 1.00 0.00 N ATOM 985 CA SER A 67 -13.240 1.229 -11.266 1.00 0.00 C ATOM 986 C SER A 67 -11.767 1.014 -11.619 1.00 0.00 C ATOM 987 O SER A 67 -11.026 1.976 -11.817 1.00 0.00 O ATOM 988 CB SER A 67 -13.958 1.956 -12.404 1.00 0.00 C ATOM 989 OG SER A 67 -15.271 2.367 -12.032 1.00 0.00 O ATOM 0 H SER A 67 -12.793 2.826 -9.983 1.00 0.00 H new ATOM 0 HA SER A 67 -13.720 0.260 -11.130 1.00 0.00 H new ATOM 0 HB2 SER A 67 -13.376 2.828 -12.701 1.00 0.00 H new ATOM 0 HB3 SER A 67 -14.016 1.301 -13.273 1.00 0.00 H new ATOM 0 HG SER A 67 -15.695 2.829 -12.785 1.00 0.00 H new ATOM 995 N GLY A 68 -11.387 -0.253 -11.687 1.00 0.00 N ATOM 996 CA GLY A 68 -10.016 -0.607 -12.013 1.00 0.00 C ATOM 997 C GLY A 68 -9.943 -2.002 -12.638 1.00 0.00 C ATOM 998 O GLY A 68 -9.642 -2.978 -11.952 1.00 0.00 O ATOM 0 H GLY A 68 -12.005 -1.048 -11.522 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -9.602 0.127 -12.704 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -9.405 -0.576 -11.111 1.00 0.00 H new ATOM 1002 N ILE A 69 -10.224 -2.051 -13.932 1.00 0.00 N ATOM 1003 CA ILE A 69 -10.194 -3.311 -14.656 1.00 0.00 C ATOM 1004 C ILE A 69 -8.865 -3.433 -15.403 1.00 0.00 C ATOM 1005 O ILE A 69 -8.841 -3.481 -16.632 1.00 0.00 O ATOM 1006 CB ILE A 69 -11.422 -3.437 -15.561 1.00 0.00 C ATOM 1007 CG1 ILE A 69 -11.569 -4.866 -16.088 1.00 0.00 C ATOM 1008 CG2 ILE A 69 -11.377 -2.410 -16.693 1.00 0.00 C ATOM 1009 CD1 ILE A 69 -13.026 -5.175 -16.437 1.00 0.00 C ATOM 0 H ILE A 69 -10.473 -1.239 -14.497 1.00 0.00 H new ATOM 0 HA ILE A 69 -10.249 -4.151 -13.963 1.00 0.00 H new ATOM 0 HB ILE A 69 -12.309 -3.220 -14.966 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -10.944 -4.998 -16.971 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -11.213 -5.572 -15.338 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -12.261 -2.522 -17.321 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -11.356 -1.405 -16.272 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -10.482 -2.570 -17.294 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -13.102 -6.197 -16.809 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -13.644 -5.066 -15.546 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -13.371 -4.483 -17.205 1.00 0.00 H new ATOM 1021 N SER A 70 -7.790 -3.479 -14.630 1.00 0.00 N ATOM 1022 CA SER A 70 -6.460 -3.595 -15.203 1.00 0.00 C ATOM 1023 C SER A 70 -5.836 -4.935 -14.810 1.00 0.00 C ATOM 1024 O SER A 70 -5.683 -5.230 -13.626 1.00 0.00 O ATOM 1025 CB SER A 70 -5.564 -2.440 -14.752 1.00 0.00 C ATOM 1026 OG SER A 70 -4.616 -2.077 -15.753 1.00 0.00 O ATOM 0 H SER A 70 -7.813 -3.438 -13.611 1.00 0.00 H new ATOM 0 HA SER A 70 -6.550 -3.548 -16.288 1.00 0.00 H new ATOM 0 HB2 SER A 70 -6.182 -1.576 -14.508 1.00 0.00 H new ATOM 0 HB3 SER A 70 -5.038 -2.724 -13.840 1.00 0.00 H new ATOM 0 HG SER A 70 -4.064 -1.335 -15.427 1.00 0.00 H new ATOM 1032 N GLY A 71 -5.491 -5.712 -15.827 1.00 0.00 N ATOM 1033 CA GLY A 71 -4.887 -7.014 -15.604 1.00 0.00 C ATOM 1034 C GLY A 71 -3.383 -6.885 -15.356 1.00 0.00 C ATOM 1035 O GLY A 71 -2.634 -6.494 -16.250 1.00 0.00 O ATOM 0 H GLY A 71 -5.619 -5.464 -16.808 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -5.360 -7.497 -14.749 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -5.063 -7.654 -16.469 1.00 0.00 H new ATOM 1039 N PRO A 72 -2.974 -7.231 -14.106 1.00 0.00 N ATOM 1040 CA PRO A 72 -1.573 -7.158 -13.730 1.00 0.00 C ATOM 1041 C PRO A 72 -0.779 -8.312 -14.345 1.00 0.00 C ATOM 1042 O PRO A 72 -0.504 -9.307 -13.677 1.00 0.00 O ATOM 1043 CB PRO A 72 -1.572 -7.180 -12.210 1.00 0.00 C ATOM 1044 CG PRO A 72 -2.928 -7.731 -11.800 1.00 0.00 C ATOM 1045 CD PRO A 72 -3.832 -7.698 -13.021 1.00 0.00 C ATOM 0 HA PRO A 72 -1.084 -6.258 -14.103 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -0.765 -7.806 -11.829 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -1.418 -6.180 -11.805 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -2.829 -8.750 -11.426 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -3.354 -7.135 -10.993 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -4.242 -8.685 -13.237 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -4.678 -7.028 -12.869 1.00 0.00 H new ATOM 1053 N SER A 73 -0.432 -8.140 -15.613 1.00 0.00 N ATOM 1054 CA SER A 73 0.324 -9.154 -16.326 1.00 0.00 C ATOM 1055 C SER A 73 1.813 -8.800 -16.317 1.00 0.00 C ATOM 1056 O SER A 73 2.638 -9.581 -15.845 1.00 0.00 O ATOM 1057 CB SER A 73 -0.176 -9.306 -17.764 1.00 0.00 C ATOM 1058 OG SER A 73 -1.425 -9.989 -17.825 1.00 0.00 O ATOM 0 H SER A 73 -0.661 -7.313 -16.164 1.00 0.00 H new ATOM 0 HA SER A 73 0.180 -10.107 -15.817 1.00 0.00 H new ATOM 0 HB2 SER A 73 -0.279 -8.320 -18.218 1.00 0.00 H new ATOM 0 HB3 SER A 73 0.564 -9.851 -18.350 1.00 0.00 H new ATOM 0 HG SER A 73 -1.711 -10.064 -18.759 1.00 0.00 H new ATOM 1064 N SER A 74 2.111 -7.621 -16.844 1.00 0.00 N ATOM 1065 CA SER A 74 3.486 -7.154 -16.902 1.00 0.00 C ATOM 1066 C SER A 74 4.177 -7.392 -15.558 1.00 0.00 C ATOM 1067 O SER A 74 5.192 -8.084 -15.492 1.00 0.00 O ATOM 1068 CB SER A 74 3.548 -5.672 -17.276 1.00 0.00 C ATOM 1069 OG SER A 74 3.228 -5.453 -18.647 1.00 0.00 O ATOM 0 H SER A 74 1.424 -6.976 -17.234 1.00 0.00 H new ATOM 0 HA SER A 74 4.007 -7.718 -17.675 1.00 0.00 H new ATOM 0 HB2 SER A 74 2.856 -5.111 -16.648 1.00 0.00 H new ATOM 0 HB3 SER A 74 4.547 -5.288 -17.071 1.00 0.00 H new ATOM 0 HG SER A 74 3.277 -4.495 -18.845 1.00 0.00 H new ATOM 1075 N GLY A 75 3.599 -6.805 -14.520 1.00 0.00 N ATOM 1076 CA GLY A 75 4.147 -6.945 -13.181 1.00 0.00 C ATOM 1077 C GLY A 75 3.174 -6.405 -12.131 1.00 0.00 C ATOM 1078 O GLY A 75 2.245 -7.101 -11.724 1.00 0.00 O ATOM 0 H GLY A 75 2.757 -6.232 -14.579 1.00 0.00 H new ATOM 0 HA2 GLY A 75 4.360 -7.995 -12.979 1.00 0.00 H new ATOM 0 HA3 GLY A 75 5.094 -6.409 -13.114 1.00 0.00 H new TER 1082 GLY A 75