USER MOD reduce.3.24.130724 H: found=0, std=0, add=658, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 658 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 GLY N :NH3+ -120:sc= 0.0654 (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 5 SER OG : rot 180:sc= -0.614 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 28 ASN : amide:sc= -0.606 K(o=-0.61,f=-1.2) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 GLN : amide:sc= -0.243 X(o=-0.24,f=-0.16) USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 THR OG1 : rot -122:sc= 0.428 USER MOD Single : A 42 GLN : amide:sc= 0 X(o=0,f=-0.5) USER MOD Single : A 47 GLN : amide:sc= -0.935 K(o=-0.93,f=-6.7!) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 ASN : amide:sc= -2.59! C(o=-2.6!,f=-3.3!) USER MOD Single : A 69 TYR OH : rot 0:sc= 0.809 USER MOD Single : A 72 CYS SG : rot 33:sc= -1.76 USER MOD Single : A 76 GLN : amide:sc= -3.22 X(o=-3.2,f=-3.5!) USER MOD Single : A 80 THR OG1 : rot 180:sc= -0.375 USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 THR OG1 : rot 180:sc= -0.329 USER MOD Single : A 88 GLN : amide:sc= -1.35 K(o=-1.4,f=-3.5!) USER MOD Single : A 90 SER OG : rot -170:sc= -0.988 USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -9.604 -18.307 -7.259 1.00 0.00 N ATOM 2 CA GLY A 1 -11.042 -18.619 -7.487 1.00 0.00 C ATOM 3 C GLY A 1 -11.406 -18.627 -8.959 1.00 0.00 C ATOM 4 O GLY A 1 -10.600 -18.245 -9.808 1.00 0.00 O ATOM 0 H1 GLY A 1 -9.151 -19.101 -6.764 1.00 0.00 H new ATOM 0 H2 GLY A 1 -9.133 -18.155 -8.173 1.00 0.00 H new ATOM 0 H3 GLY A 1 -9.523 -17.447 -6.680 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -11.273 -19.592 -7.053 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -11.657 -17.884 -6.967 1.00 0.00 H new ATOM 10 N SER A 2 -12.625 -19.062 -9.262 1.00 0.00 N ATOM 11 CA SER A 2 -13.095 -19.118 -10.641 1.00 0.00 C ATOM 12 C SER A 2 -14.539 -18.639 -10.745 1.00 0.00 C ATOM 13 O SER A 2 -15.300 -19.106 -11.592 1.00 0.00 O ATOM 14 CB SER A 2 -12.978 -20.544 -11.185 1.00 0.00 C ATOM 15 OG SER A 2 -11.630 -20.872 -11.472 1.00 0.00 O ATOM 0 H SER A 2 -13.305 -19.381 -8.571 1.00 0.00 H new ATOM 0 HA SER A 2 -12.468 -18.456 -11.238 1.00 0.00 H new ATOM 0 HB2 SER A 2 -13.380 -21.248 -10.457 1.00 0.00 H new ATOM 0 HB3 SER A 2 -13.580 -20.642 -12.089 1.00 0.00 H new ATOM 0 HG SER A 2 -11.582 -21.788 -11.816 1.00 0.00 H new ATOM 21 N SER A 3 -14.910 -17.706 -9.875 1.00 0.00 N ATOM 22 CA SER A 3 -16.264 -17.161 -9.868 1.00 0.00 C ATOM 23 C SER A 3 -16.241 -15.645 -10.025 1.00 0.00 C ATOM 24 O SER A 3 -17.021 -15.078 -10.792 1.00 0.00 O ATOM 25 CB SER A 3 -16.981 -17.540 -8.571 1.00 0.00 C ATOM 26 OG SER A 3 -17.129 -18.945 -8.461 1.00 0.00 O ATOM 0 H SER A 3 -14.293 -17.311 -9.165 1.00 0.00 H new ATOM 0 HA SER A 3 -16.805 -17.587 -10.713 1.00 0.00 H new ATOM 0 HB2 SER A 3 -16.418 -17.163 -7.717 1.00 0.00 H new ATOM 0 HB3 SER A 3 -17.961 -17.065 -8.542 1.00 0.00 H new ATOM 0 HG SER A 3 -17.589 -19.161 -7.623 1.00 0.00 H new ATOM 32 N GLY A 4 -15.343 -14.992 -9.296 1.00 0.00 N ATOM 33 CA GLY A 4 -15.236 -13.548 -9.369 1.00 0.00 C ATOM 34 C GLY A 4 -14.815 -13.066 -10.744 1.00 0.00 C ATOM 35 O GLY A 4 -14.783 -13.843 -11.698 1.00 0.00 O ATOM 0 H GLY A 4 -14.687 -15.438 -8.655 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -16.196 -13.102 -9.109 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -14.514 -13.202 -8.629 1.00 0.00 H new ATOM 39 N SER A 5 -14.492 -11.781 -10.846 1.00 0.00 N ATOM 40 CA SER A 5 -14.072 -11.197 -12.114 1.00 0.00 C ATOM 41 C SER A 5 -13.307 -9.897 -11.888 1.00 0.00 C ATOM 42 O SER A 5 -12.139 -9.779 -12.260 1.00 0.00 O ATOM 43 CB SER A 5 -15.285 -10.939 -13.009 1.00 0.00 C ATOM 44 OG SER A 5 -16.373 -11.773 -12.646 1.00 0.00 O ATOM 0 H SER A 5 -14.513 -11.124 -10.066 1.00 0.00 H new ATOM 0 HA SER A 5 -13.409 -11.907 -12.609 1.00 0.00 H new ATOM 0 HB2 SER A 5 -15.582 -9.893 -12.931 1.00 0.00 H new ATOM 0 HB3 SER A 5 -15.017 -11.118 -14.050 1.00 0.00 H new ATOM 0 HG SER A 5 -17.137 -11.588 -13.232 1.00 0.00 H new ATOM 50 N SER A 6 -13.974 -8.923 -11.278 1.00 0.00 N ATOM 51 CA SER A 6 -13.357 -7.630 -11.003 1.00 0.00 C ATOM 52 C SER A 6 -12.378 -7.732 -9.837 1.00 0.00 C ATOM 53 O SER A 6 -12.745 -7.507 -8.684 1.00 0.00 O ATOM 54 CB SER A 6 -14.431 -6.585 -10.693 1.00 0.00 C ATOM 55 OG SER A 6 -14.151 -5.358 -11.345 1.00 0.00 O ATOM 0 H SER A 6 -14.941 -9.004 -10.965 1.00 0.00 H new ATOM 0 HA SER A 6 -12.806 -7.322 -11.891 1.00 0.00 H new ATOM 0 HB2 SER A 6 -15.406 -6.955 -11.011 1.00 0.00 H new ATOM 0 HB3 SER A 6 -14.487 -6.424 -9.616 1.00 0.00 H new ATOM 0 HG SER A 6 -14.852 -4.707 -11.133 1.00 0.00 H new ATOM 61 N GLY A 7 -11.131 -8.070 -10.147 1.00 0.00 N ATOM 62 CA GLY A 7 -10.119 -8.195 -9.115 1.00 0.00 C ATOM 63 C GLY A 7 -8.843 -8.836 -9.626 1.00 0.00 C ATOM 64 O GLY A 7 -8.561 -9.996 -9.328 1.00 0.00 O ATOM 0 H GLY A 7 -10.803 -8.260 -11.094 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -9.890 -7.208 -8.714 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -10.516 -8.789 -8.292 1.00 0.00 H new ATOM 68 N ALA A 8 -8.072 -8.079 -10.400 1.00 0.00 N ATOM 69 CA ALA A 8 -6.821 -8.580 -10.955 1.00 0.00 C ATOM 70 C ALA A 8 -6.012 -7.453 -11.587 1.00 0.00 C ATOM 71 O ALA A 8 -6.116 -7.196 -12.786 1.00 0.00 O ATOM 72 CB ALA A 8 -7.098 -9.670 -11.979 1.00 0.00 C ATOM 0 H ALA A 8 -8.292 -7.117 -10.657 1.00 0.00 H new ATOM 0 HA ALA A 8 -6.233 -9.002 -10.140 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -6.155 -10.035 -12.386 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -7.630 -10.492 -11.500 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -7.708 -9.264 -12.786 1.00 0.00 H new ATOM 78 N ALA A 9 -5.204 -6.782 -10.771 1.00 0.00 N ATOM 79 CA ALA A 9 -4.376 -5.682 -11.250 1.00 0.00 C ATOM 80 C ALA A 9 -2.911 -5.903 -10.894 1.00 0.00 C ATOM 81 O ALA A 9 -2.024 -5.715 -11.727 1.00 0.00 O ATOM 82 CB ALA A 9 -4.867 -4.363 -10.673 1.00 0.00 C ATOM 0 H ALA A 9 -5.106 -6.981 -9.776 1.00 0.00 H new ATOM 0 HA ALA A 9 -4.458 -5.645 -12.336 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -4.240 -3.550 -11.039 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -5.899 -4.193 -10.981 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -4.815 -4.400 -9.585 1.00 0.00 H new ATOM 88 N GLU A 10 -2.663 -6.304 -9.651 1.00 0.00 N ATOM 89 CA GLU A 10 -1.303 -6.552 -9.185 1.00 0.00 C ATOM 90 C GLU A 10 -1.282 -7.648 -8.125 1.00 0.00 C ATOM 91 O GLU A 10 -2.313 -8.246 -7.815 1.00 0.00 O ATOM 92 CB GLU A 10 -0.694 -5.267 -8.619 1.00 0.00 C ATOM 93 CG GLU A 10 0.094 -4.466 -9.644 1.00 0.00 C ATOM 94 CD GLU A 10 1.426 -5.105 -9.984 1.00 0.00 C ATOM 95 OE1 GLU A 10 1.436 -6.303 -10.340 1.00 0.00 O ATOM 96 OE2 GLU A 10 2.459 -4.409 -9.895 1.00 0.00 O ATOM 0 H GLU A 10 -3.385 -6.464 -8.949 1.00 0.00 H new ATOM 0 HA GLU A 10 -0.709 -6.884 -10.036 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -1.492 -4.643 -8.217 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -0.038 -5.521 -7.786 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -0.498 -4.364 -10.553 1.00 0.00 H new ATOM 0 HG3 GLU A 10 0.265 -3.460 -9.260 1.00 0.00 H new ATOM 103 N VAL A 11 -0.102 -7.908 -7.573 1.00 0.00 N ATOM 104 CA VAL A 11 0.054 -8.934 -6.547 1.00 0.00 C ATOM 105 C VAL A 11 0.601 -8.339 -5.254 1.00 0.00 C ATOM 106 O VAL A 11 0.958 -7.162 -5.202 1.00 0.00 O ATOM 107 CB VAL A 11 0.992 -10.060 -7.018 1.00 0.00 C ATOM 108 CG1 VAL A 11 0.294 -10.948 -8.036 1.00 0.00 C ATOM 109 CG2 VAL A 11 2.275 -9.481 -7.594 1.00 0.00 C ATOM 0 H VAL A 11 0.761 -7.423 -7.818 1.00 0.00 H new ATOM 0 HA VAL A 11 -0.936 -9.350 -6.362 1.00 0.00 H new ATOM 0 HB VAL A 11 1.253 -10.674 -6.156 1.00 0.00 H new ATOM 0 HG11 VAL A 11 0.974 -11.738 -8.357 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -0.592 -11.393 -7.584 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -0.001 -10.350 -8.899 1.00 0.00 H new ATOM 0 HG21 VAL A 11 2.925 -10.292 -7.921 1.00 0.00 H new ATOM 0 HG22 VAL A 11 2.036 -8.842 -8.444 1.00 0.00 H new ATOM 0 HG23 VAL A 11 2.784 -8.894 -6.830 1.00 0.00 H new ATOM 119 N GLY A 12 0.664 -9.161 -4.212 1.00 0.00 N ATOM 120 CA GLY A 12 1.169 -8.700 -2.932 1.00 0.00 C ATOM 121 C GLY A 12 2.512 -9.312 -2.584 1.00 0.00 C ATOM 122 O GLY A 12 2.810 -10.437 -2.983 1.00 0.00 O ATOM 0 H GLY A 12 0.374 -10.139 -4.231 1.00 0.00 H new ATOM 0 HA2 GLY A 12 1.262 -7.614 -2.951 1.00 0.00 H new ATOM 0 HA3 GLY A 12 0.449 -8.944 -2.151 1.00 0.00 H new ATOM 126 N ASP A 13 3.324 -8.569 -1.839 1.00 0.00 N ATOM 127 CA ASP A 13 4.642 -9.045 -1.437 1.00 0.00 C ATOM 128 C ASP A 13 4.526 -10.163 -0.406 1.00 0.00 C ATOM 129 O ASP A 13 3.430 -10.492 0.047 1.00 0.00 O ATOM 130 CB ASP A 13 5.472 -7.894 -0.868 1.00 0.00 C ATOM 131 CG ASP A 13 6.936 -7.993 -1.249 1.00 0.00 C ATOM 132 OD1 ASP A 13 7.404 -9.119 -1.518 1.00 0.00 O ATOM 133 OD2 ASP A 13 7.615 -6.945 -1.277 1.00 0.00 O ATOM 0 H ASP A 13 3.092 -7.635 -1.502 1.00 0.00 H new ATOM 0 HA ASP A 13 5.142 -9.441 -2.321 1.00 0.00 H new ATOM 0 HB2 ASP A 13 5.069 -6.947 -1.227 1.00 0.00 H new ATOM 0 HB3 ASP A 13 5.382 -7.887 0.218 1.00 0.00 H new ATOM 138 N ASP A 14 5.664 -10.743 -0.039 1.00 0.00 N ATOM 139 CA ASP A 14 5.692 -11.824 0.940 1.00 0.00 C ATOM 140 C ASP A 14 6.435 -11.396 2.201 1.00 0.00 C ATOM 141 O ASP A 14 7.141 -12.194 2.818 1.00 0.00 O ATOM 142 CB ASP A 14 6.353 -13.065 0.339 1.00 0.00 C ATOM 143 CG ASP A 14 5.679 -14.350 0.780 1.00 0.00 C ATOM 144 OD1 ASP A 14 5.584 -14.582 2.003 1.00 0.00 O ATOM 145 OD2 ASP A 14 5.244 -15.124 -0.099 1.00 0.00 O ATOM 0 H ASP A 14 6.580 -10.482 -0.405 1.00 0.00 H new ATOM 0 HA ASP A 14 4.664 -12.064 1.211 1.00 0.00 H new ATOM 0 HB2 ASP A 14 6.325 -12.998 -0.749 1.00 0.00 H new ATOM 0 HB3 ASP A 14 7.403 -13.091 0.629 1.00 0.00 H new ATOM 150 N PHE A 15 6.272 -10.133 2.578 1.00 0.00 N ATOM 151 CA PHE A 15 6.928 -9.599 3.767 1.00 0.00 C ATOM 152 C PHE A 15 6.474 -8.170 4.044 1.00 0.00 C ATOM 153 O PHE A 15 6.382 -7.349 3.132 1.00 0.00 O ATOM 154 CB PHE A 15 8.448 -9.639 3.597 1.00 0.00 C ATOM 155 CG PHE A 15 9.196 -9.715 4.897 1.00 0.00 C ATOM 156 CD1 PHE A 15 9.062 -10.818 5.725 1.00 0.00 C ATOM 157 CD2 PHE A 15 10.033 -8.683 5.291 1.00 0.00 C ATOM 158 CE1 PHE A 15 9.749 -10.890 6.923 1.00 0.00 C ATOM 159 CE2 PHE A 15 10.723 -8.750 6.486 1.00 0.00 C ATOM 160 CZ PHE A 15 10.581 -9.855 7.304 1.00 0.00 C ATOM 0 H PHE A 15 5.692 -9.459 2.078 1.00 0.00 H new ATOM 0 HA PHE A 15 6.647 -10.221 4.617 1.00 0.00 H new ATOM 0 HB2 PHE A 15 8.714 -10.500 2.983 1.00 0.00 H new ATOM 0 HB3 PHE A 15 8.768 -8.749 3.055 1.00 0.00 H new ATOM 0 HD1 PHE A 15 8.414 -11.630 5.431 1.00 0.00 H new ATOM 0 HD2 PHE A 15 10.147 -7.816 4.657 1.00 0.00 H new ATOM 0 HE1 PHE A 15 9.635 -11.755 7.560 1.00 0.00 H new ATOM 0 HE2 PHE A 15 11.373 -7.939 6.781 1.00 0.00 H new ATOM 0 HZ PHE A 15 11.119 -9.909 8.239 1.00 0.00 H new ATOM 170 N LEU A 16 6.192 -7.880 5.310 1.00 0.00 N ATOM 171 CA LEU A 16 5.748 -6.550 5.708 1.00 0.00 C ATOM 172 C LEU A 16 6.937 -5.665 6.067 1.00 0.00 C ATOM 173 O LEU A 16 7.800 -6.054 6.855 1.00 0.00 O ATOM 174 CB LEU A 16 4.792 -6.644 6.900 1.00 0.00 C ATOM 175 CG LEU A 16 3.351 -7.018 6.545 1.00 0.00 C ATOM 176 CD1 LEU A 16 2.743 -7.890 7.632 1.00 0.00 C ATOM 177 CD2 LEU A 16 2.513 -5.766 6.332 1.00 0.00 C ATOM 0 H LEU A 16 6.263 -8.548 6.077 1.00 0.00 H new ATOM 0 HA LEU A 16 5.224 -6.102 4.864 1.00 0.00 H new ATOM 0 HB2 LEU A 16 5.181 -7.382 7.601 1.00 0.00 H new ATOM 0 HB3 LEU A 16 4.786 -5.685 7.418 1.00 0.00 H new ATOM 0 HG LEU A 16 3.362 -7.587 5.615 1.00 0.00 H new ATOM 0 HD11 LEU A 16 1.718 -8.146 7.362 1.00 0.00 H new ATOM 0 HD12 LEU A 16 3.330 -8.803 7.737 1.00 0.00 H new ATOM 0 HD13 LEU A 16 2.745 -7.347 8.577 1.00 0.00 H new ATOM 0 HD21 LEU A 16 1.491 -6.050 6.080 1.00 0.00 H new ATOM 0 HD22 LEU A 16 2.510 -5.171 7.245 1.00 0.00 H new ATOM 0 HD23 LEU A 16 2.937 -5.179 5.518 1.00 0.00 H new ATOM 189 N GLY A 17 6.979 -4.472 5.482 1.00 0.00 N ATOM 190 CA GLY A 17 8.066 -3.550 5.752 1.00 0.00 C ATOM 191 C GLY A 17 8.011 -2.982 7.156 1.00 0.00 C ATOM 192 O GLY A 17 7.291 -3.496 8.012 1.00 0.00 O ATOM 0 H GLY A 17 6.279 -4.128 4.825 1.00 0.00 H new ATOM 0 HA2 GLY A 17 9.017 -4.063 5.608 1.00 0.00 H new ATOM 0 HA3 GLY A 17 8.032 -2.733 5.031 1.00 0.00 H new ATOM 196 N ASP A 18 8.773 -1.920 7.393 1.00 0.00 N ATOM 197 CA ASP A 18 8.808 -1.281 8.704 1.00 0.00 C ATOM 198 C ASP A 18 8.016 0.022 8.694 1.00 0.00 C ATOM 199 O ASP A 18 8.352 0.969 9.405 1.00 0.00 O ATOM 200 CB ASP A 18 10.254 -1.009 9.123 1.00 0.00 C ATOM 201 CG ASP A 18 10.988 -2.275 9.522 1.00 0.00 C ATOM 202 OD1 ASP A 18 10.574 -2.914 10.511 1.00 0.00 O ATOM 203 OD2 ASP A 18 11.977 -2.627 8.845 1.00 0.00 O ATOM 0 H ASP A 18 9.375 -1.483 6.695 1.00 0.00 H new ATOM 0 HA ASP A 18 8.350 -1.959 9.424 1.00 0.00 H new ATOM 0 HB2 ASP A 18 10.784 -0.529 8.300 1.00 0.00 H new ATOM 0 HB3 ASP A 18 10.262 -0.309 9.958 1.00 0.00 H new ATOM 208 N PHE A 19 6.962 0.063 7.885 1.00 0.00 N ATOM 209 CA PHE A 19 6.122 1.250 7.783 1.00 0.00 C ATOM 210 C PHE A 19 4.978 1.194 8.790 1.00 0.00 C ATOM 211 O PHE A 19 4.051 0.397 8.649 1.00 0.00 O ATOM 212 CB PHE A 19 5.562 1.383 6.365 1.00 0.00 C ATOM 213 CG PHE A 19 6.622 1.371 5.299 1.00 0.00 C ATOM 214 CD1 PHE A 19 7.375 2.505 5.041 1.00 0.00 C ATOM 215 CD2 PHE A 19 6.862 0.227 4.556 1.00 0.00 C ATOM 216 CE1 PHE A 19 8.349 2.496 4.061 1.00 0.00 C ATOM 217 CE2 PHE A 19 7.834 0.212 3.575 1.00 0.00 C ATOM 218 CZ PHE A 19 8.579 1.349 3.327 1.00 0.00 C ATOM 0 H PHE A 19 6.670 -0.713 7.291 1.00 0.00 H new ATOM 0 HA PHE A 19 6.738 2.121 8.007 1.00 0.00 H new ATOM 0 HB2 PHE A 19 4.863 0.567 6.181 1.00 0.00 H new ATOM 0 HB3 PHE A 19 4.995 2.311 6.292 1.00 0.00 H new ATOM 0 HD1 PHE A 19 7.199 3.405 5.612 1.00 0.00 H new ATOM 0 HD2 PHE A 19 6.282 -0.664 4.746 1.00 0.00 H new ATOM 0 HE1 PHE A 19 8.930 3.386 3.869 1.00 0.00 H new ATOM 0 HE2 PHE A 19 8.011 -0.687 3.003 1.00 0.00 H new ATOM 0 HZ PHE A 19 9.340 1.341 2.561 1.00 0.00 H new ATOM 228 N VAL A 20 5.051 2.047 9.807 1.00 0.00 N ATOM 229 CA VAL A 20 4.022 2.096 10.837 1.00 0.00 C ATOM 230 C VAL A 20 2.811 2.895 10.367 1.00 0.00 C ATOM 231 O VAL A 20 2.870 3.589 9.353 1.00 0.00 O ATOM 232 CB VAL A 20 4.559 2.719 12.139 1.00 0.00 C ATOM 233 CG1 VAL A 20 5.578 1.797 12.792 1.00 0.00 C ATOM 234 CG2 VAL A 20 5.164 4.087 11.867 1.00 0.00 C ATOM 0 H VAL A 20 5.812 2.713 9.939 1.00 0.00 H new ATOM 0 HA VAL A 20 3.722 1.067 11.032 1.00 0.00 H new ATOM 0 HB VAL A 20 3.725 2.847 12.829 1.00 0.00 H new ATOM 0 HG11 VAL A 20 5.946 2.254 13.710 1.00 0.00 H new ATOM 0 HG12 VAL A 20 5.108 0.842 13.025 1.00 0.00 H new ATOM 0 HG13 VAL A 20 6.411 1.634 12.109 1.00 0.00 H new ATOM 0 HG21 VAL A 20 5.538 4.511 12.799 1.00 0.00 H new ATOM 0 HG22 VAL A 20 5.986 3.987 11.158 1.00 0.00 H new ATOM 0 HG23 VAL A 20 4.402 4.745 11.449 1.00 0.00 H new ATOM 244 N VAL A 21 1.716 2.792 11.112 1.00 0.00 N ATOM 245 CA VAL A 21 0.491 3.505 10.771 1.00 0.00 C ATOM 246 C VAL A 21 0.529 4.941 11.283 1.00 0.00 C ATOM 247 O VAL A 21 0.669 5.178 12.483 1.00 0.00 O ATOM 248 CB VAL A 21 -0.749 2.798 11.349 1.00 0.00 C ATOM 249 CG1 VAL A 21 -2.024 3.438 10.823 1.00 0.00 C ATOM 250 CG2 VAL A 21 -0.716 1.312 11.026 1.00 0.00 C ATOM 0 H VAL A 21 1.652 2.222 11.955 1.00 0.00 H new ATOM 0 HA VAL A 21 0.422 3.513 9.683 1.00 0.00 H new ATOM 0 HB VAL A 21 -0.735 2.911 12.433 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -2.889 2.924 11.243 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -2.050 4.489 11.112 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -2.048 3.360 9.736 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -1.600 0.829 11.443 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -0.703 1.175 9.945 1.00 0.00 H new ATOM 0 HG23 VAL A 21 0.179 0.865 11.459 1.00 0.00 H new ATOM 260 N GLY A 22 0.403 5.895 10.366 1.00 0.00 N ATOM 261 CA GLY A 22 0.426 7.296 10.746 1.00 0.00 C ATOM 262 C GLY A 22 1.542 8.065 10.065 1.00 0.00 C ATOM 263 O GLY A 22 1.437 9.275 9.865 1.00 0.00 O ATOM 0 H GLY A 22 0.285 5.723 9.367 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -0.531 7.753 10.495 1.00 0.00 H new ATOM 0 HA3 GLY A 22 0.543 7.374 11.827 1.00 0.00 H new ATOM 267 N GLU A 23 2.613 7.363 9.710 1.00 0.00 N ATOM 268 CA GLU A 23 3.752 7.989 9.050 1.00 0.00 C ATOM 269 C GLU A 23 3.474 8.198 7.564 1.00 0.00 C ATOM 270 O GLU A 23 2.560 7.596 7.002 1.00 0.00 O ATOM 271 CB GLU A 23 5.007 7.134 9.231 1.00 0.00 C ATOM 272 CG GLU A 23 4.914 5.769 8.567 1.00 0.00 C ATOM 273 CD GLU A 23 6.090 5.479 7.655 1.00 0.00 C ATOM 274 OE1 GLU A 23 6.553 6.414 6.968 1.00 0.00 O ATOM 275 OE2 GLU A 23 6.549 4.318 7.628 1.00 0.00 O ATOM 0 H GLU A 23 2.716 6.361 9.868 1.00 0.00 H new ATOM 0 HA GLU A 23 3.916 8.963 9.511 1.00 0.00 H new ATOM 0 HB2 GLU A 23 5.864 7.670 8.823 1.00 0.00 H new ATOM 0 HB3 GLU A 23 5.194 6.999 10.296 1.00 0.00 H new ATOM 0 HG2 GLU A 23 4.858 4.999 9.336 1.00 0.00 H new ATOM 0 HG3 GLU A 23 3.990 5.712 7.991 1.00 0.00 H new ATOM 282 N ARG A 24 4.271 9.056 6.935 1.00 0.00 N ATOM 283 CA ARG A 24 4.114 9.344 5.513 1.00 0.00 C ATOM 284 C ARG A 24 4.995 8.426 4.672 1.00 0.00 C ATOM 285 O ARG A 24 6.152 8.177 5.011 1.00 0.00 O ATOM 286 CB ARG A 24 4.459 10.809 5.229 1.00 0.00 C ATOM 287 CG ARG A 24 3.409 11.532 4.402 1.00 0.00 C ATOM 288 CD ARG A 24 2.582 12.482 5.254 1.00 0.00 C ATOM 289 NE ARG A 24 3.249 13.769 5.442 1.00 0.00 N ATOM 290 CZ ARG A 24 2.617 14.887 5.794 1.00 0.00 C ATOM 291 NH1 ARG A 24 1.307 14.882 6.000 1.00 0.00 N ATOM 292 NH2 ARG A 24 3.300 16.014 5.942 1.00 0.00 N ATOM 0 H ARG A 24 5.032 9.564 7.387 1.00 0.00 H new ATOM 0 HA ARG A 24 3.074 9.164 5.242 1.00 0.00 H new ATOM 0 HB2 ARG A 24 4.588 11.333 6.176 1.00 0.00 H new ATOM 0 HB3 ARG A 24 5.415 10.854 4.707 1.00 0.00 H new ATOM 0 HG2 ARG A 24 3.896 12.090 3.602 1.00 0.00 H new ATOM 0 HG3 ARG A 24 2.753 10.802 3.928 1.00 0.00 H new ATOM 0 HD2 ARG A 24 1.612 12.641 4.782 1.00 0.00 H new ATOM 0 HD3 ARG A 24 2.393 12.026 6.226 1.00 0.00 H new ATOM 0 HE ARG A 24 4.257 13.813 5.295 1.00 0.00 H new ATOM 0 HH11 ARG A 24 0.777 14.018 5.889 1.00 0.00 H new ATOM 0 HH12 ARG A 24 0.830 15.742 6.269 1.00 0.00 H new ATOM 0 HH21 ARG A 24 4.308 16.024 5.786 1.00 0.00 H new ATOM 0 HH22 ARG A 24 2.817 16.871 6.212 1.00 0.00 H new ATOM 306 N VAL A 25 4.441 7.924 3.572 1.00 0.00 N ATOM 307 CA VAL A 25 5.178 7.034 2.684 1.00 0.00 C ATOM 308 C VAL A 25 4.870 7.336 1.221 1.00 0.00 C ATOM 309 O VAL A 25 3.721 7.589 0.858 1.00 0.00 O ATOM 310 CB VAL A 25 4.850 5.557 2.971 1.00 0.00 C ATOM 311 CG1 VAL A 25 5.425 5.132 4.313 1.00 0.00 C ATOM 312 CG2 VAL A 25 3.347 5.326 2.929 1.00 0.00 C ATOM 0 H VAL A 25 3.485 8.119 3.275 1.00 0.00 H new ATOM 0 HA VAL A 25 6.238 7.207 2.872 1.00 0.00 H new ATOM 0 HB VAL A 25 5.310 4.945 2.195 1.00 0.00 H new ATOM 0 HG11 VAL A 25 5.183 4.085 4.498 1.00 0.00 H new ATOM 0 HG12 VAL A 25 6.508 5.257 4.301 1.00 0.00 H new ATOM 0 HG13 VAL A 25 4.997 5.748 5.104 1.00 0.00 H new ATOM 0 HG21 VAL A 25 3.134 4.277 3.134 1.00 0.00 H new ATOM 0 HG22 VAL A 25 2.862 5.948 3.681 1.00 0.00 H new ATOM 0 HG23 VAL A 25 2.966 5.587 1.942 1.00 0.00 H new ATOM 322 N TRP A 26 5.905 7.307 0.387 1.00 0.00 N ATOM 323 CA TRP A 26 5.744 7.577 -1.037 1.00 0.00 C ATOM 324 C TRP A 26 5.451 6.292 -1.805 1.00 0.00 C ATOM 325 O TRP A 26 6.229 5.338 -1.758 1.00 0.00 O ATOM 326 CB TRP A 26 7.004 8.242 -1.597 1.00 0.00 C ATOM 327 CG TRP A 26 7.074 9.713 -1.319 1.00 0.00 C ATOM 328 CD1 TRP A 26 6.913 10.726 -2.219 1.00 0.00 C ATOM 329 CD2 TRP A 26 7.326 10.336 -0.054 1.00 0.00 C ATOM 330 NE1 TRP A 26 7.048 11.941 -1.592 1.00 0.00 N ATOM 331 CE2 TRP A 26 7.302 11.728 -0.263 1.00 0.00 C ATOM 332 CE3 TRP A 26 7.568 9.853 1.235 1.00 0.00 C ATOM 333 CZ2 TRP A 26 7.512 12.639 0.769 1.00 0.00 C ATOM 334 CZ3 TRP A 26 7.775 10.759 2.258 1.00 0.00 C ATOM 335 CH2 TRP A 26 7.745 12.139 2.020 1.00 0.00 C ATOM 0 H TRP A 26 6.862 7.100 0.672 1.00 0.00 H new ATOM 0 HA TRP A 26 4.898 8.254 -1.159 1.00 0.00 H new ATOM 0 HB2 TRP A 26 7.882 7.757 -1.171 1.00 0.00 H new ATOM 0 HB3 TRP A 26 7.043 8.081 -2.674 1.00 0.00 H new ATOM 0 HD1 TRP A 26 6.709 10.592 -3.271 1.00 0.00 H new ATOM 0 HE1 TRP A 26 6.972 12.853 -2.043 1.00 0.00 H new ATOM 0 HE3 TRP A 26 7.593 8.791 1.428 1.00 0.00 H new ATOM 0 HZ2 TRP A 26 7.492 13.703 0.588 1.00 0.00 H new ATOM 0 HZ3 TRP A 26 7.963 10.397 3.258 1.00 0.00 H new ATOM 0 HH2 TRP A 26 7.909 12.821 2.841 1.00 0.00 H new ATOM 346 N VAL A 27 4.327 6.275 -2.512 1.00 0.00 N ATOM 347 CA VAL A 27 3.931 5.106 -3.290 1.00 0.00 C ATOM 348 C VAL A 27 4.543 5.142 -4.687 1.00 0.00 C ATOM 349 O VAL A 27 4.189 5.989 -5.508 1.00 0.00 O ATOM 350 CB VAL A 27 2.401 5.006 -3.416 1.00 0.00 C ATOM 351 CG1 VAL A 27 2.001 3.685 -4.057 1.00 0.00 C ATOM 352 CG2 VAL A 27 1.741 5.167 -2.054 1.00 0.00 C ATOM 0 H VAL A 27 3.674 7.057 -2.563 1.00 0.00 H new ATOM 0 HA VAL A 27 4.302 4.231 -2.755 1.00 0.00 H new ATOM 0 HB VAL A 27 2.055 5.815 -4.060 1.00 0.00 H new ATOM 0 HG11 VAL A 27 0.915 3.634 -4.137 1.00 0.00 H new ATOM 0 HG12 VAL A 27 2.442 3.615 -5.051 1.00 0.00 H new ATOM 0 HG13 VAL A 27 2.359 2.859 -3.442 1.00 0.00 H new ATOM 0 HG21 VAL A 27 0.659 5.093 -2.163 1.00 0.00 H new ATOM 0 HG22 VAL A 27 2.092 4.382 -1.384 1.00 0.00 H new ATOM 0 HG23 VAL A 27 1.998 6.141 -1.638 1.00 0.00 H new ATOM 362 N ASN A 28 5.464 4.220 -4.948 1.00 0.00 N ATOM 363 CA ASN A 28 6.126 4.146 -6.246 1.00 0.00 C ATOM 364 C ASN A 28 6.859 5.446 -6.558 1.00 0.00 C ATOM 365 O ASN A 28 6.999 5.829 -7.720 1.00 0.00 O ATOM 366 CB ASN A 28 5.105 3.846 -7.346 1.00 0.00 C ATOM 367 CG ASN A 28 4.464 2.482 -7.182 1.00 0.00 C ATOM 368 OD1 ASN A 28 3.259 2.373 -6.957 1.00 0.00 O ATOM 369 ND2 ASN A 28 5.270 1.433 -7.295 1.00 0.00 N ATOM 0 H ASN A 28 5.769 3.514 -4.278 1.00 0.00 H new ATOM 0 HA ASN A 28 6.857 3.338 -6.208 1.00 0.00 H new ATOM 0 HB2 ASN A 28 4.330 4.612 -7.337 1.00 0.00 H new ATOM 0 HB3 ASN A 28 5.596 3.900 -8.318 1.00 0.00 H new ATOM 0 HD21 ASN A 28 4.896 0.489 -7.195 1.00 0.00 H new ATOM 0 HD22 ASN A 28 6.263 1.571 -7.482 1.00 0.00 H new ATOM 376 N GLY A 29 7.328 6.121 -5.513 1.00 0.00 N ATOM 377 CA GLY A 29 8.044 7.370 -5.696 1.00 0.00 C ATOM 378 C GLY A 29 7.215 8.414 -6.419 1.00 0.00 C ATOM 379 O GLY A 29 7.755 9.261 -7.131 1.00 0.00 O ATOM 0 H GLY A 29 7.225 5.825 -4.542 1.00 0.00 H new ATOM 0 HA2 GLY A 29 8.344 7.759 -4.723 1.00 0.00 H new ATOM 0 HA3 GLY A 29 8.958 7.182 -6.260 1.00 0.00 H new ATOM 383 N VAL A 30 5.900 8.355 -6.236 1.00 0.00 N ATOM 384 CA VAL A 30 4.996 9.303 -6.876 1.00 0.00 C ATOM 385 C VAL A 30 4.561 10.390 -5.900 1.00 0.00 C ATOM 386 O VAL A 30 4.919 11.558 -6.055 1.00 0.00 O ATOM 387 CB VAL A 30 3.745 8.599 -7.436 1.00 0.00 C ATOM 388 CG1 VAL A 30 2.895 9.574 -8.236 1.00 0.00 C ATOM 389 CG2 VAL A 30 4.140 7.402 -8.289 1.00 0.00 C ATOM 0 H VAL A 30 5.437 7.661 -5.650 1.00 0.00 H new ATOM 0 HA VAL A 30 5.546 9.757 -7.701 1.00 0.00 H new ATOM 0 HB VAL A 30 3.150 8.238 -6.597 1.00 0.00 H new ATOM 0 HG11 VAL A 30 2.016 9.058 -8.623 1.00 0.00 H new ATOM 0 HG12 VAL A 30 2.579 10.395 -7.592 1.00 0.00 H new ATOM 0 HG13 VAL A 30 3.479 9.969 -9.067 1.00 0.00 H new ATOM 0 HG21 VAL A 30 3.243 6.918 -8.675 1.00 0.00 H new ATOM 0 HG22 VAL A 30 4.759 7.737 -9.122 1.00 0.00 H new ATOM 0 HG23 VAL A 30 4.702 6.692 -7.682 1.00 0.00 H new ATOM 399 N LYS A 31 3.785 10.000 -4.894 1.00 0.00 N ATOM 400 CA LYS A 31 3.301 10.941 -3.891 1.00 0.00 C ATOM 401 C LYS A 31 3.224 10.282 -2.517 1.00 0.00 C ATOM 402 O LYS A 31 2.957 9.085 -2.408 1.00 0.00 O ATOM 403 CB LYS A 31 1.925 11.479 -4.290 1.00 0.00 C ATOM 404 CG LYS A 31 1.973 12.499 -5.416 1.00 0.00 C ATOM 405 CD LYS A 31 0.578 12.851 -5.909 1.00 0.00 C ATOM 406 CE LYS A 31 0.574 13.150 -7.399 1.00 0.00 C ATOM 407 NZ LYS A 31 0.754 14.602 -7.676 1.00 0.00 N ATOM 0 H LYS A 31 3.478 9.038 -4.752 1.00 0.00 H new ATOM 0 HA LYS A 31 4.007 11.770 -3.836 1.00 0.00 H new ATOM 0 HB2 LYS A 31 1.292 10.645 -4.593 1.00 0.00 H new ATOM 0 HB3 LYS A 31 1.456 11.935 -3.418 1.00 0.00 H new ATOM 0 HG2 LYS A 31 2.476 13.402 -5.069 1.00 0.00 H new ATOM 0 HG3 LYS A 31 2.563 12.103 -6.242 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -0.102 12.025 -5.701 1.00 0.00 H new ATOM 0 HD3 LYS A 31 0.205 13.717 -5.362 1.00 0.00 H new ATOM 0 HE2 LYS A 31 1.371 12.587 -7.884 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -0.366 12.811 -7.834 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 0.745 14.763 -8.703 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -0.020 15.138 -7.235 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 1.663 14.920 -7.283 1.00 0.00 H new ATOM 421 N PRO A 32 3.457 11.058 -1.444 1.00 0.00 N ATOM 422 CA PRO A 32 3.412 10.542 -0.072 1.00 0.00 C ATOM 423 C PRO A 32 1.990 10.250 0.391 1.00 0.00 C ATOM 424 O PRO A 32 1.030 10.838 -0.108 1.00 0.00 O ATOM 425 CB PRO A 32 4.020 11.677 0.752 1.00 0.00 C ATOM 426 CG PRO A 32 3.734 12.909 -0.037 1.00 0.00 C ATOM 427 CD PRO A 32 3.782 12.497 -1.483 1.00 0.00 C ATOM 0 HA PRO A 32 3.942 9.594 0.025 1.00 0.00 H new ATOM 0 HB2 PRO A 32 3.573 11.729 1.745 1.00 0.00 H new ATOM 0 HB3 PRO A 32 5.092 11.536 0.892 1.00 0.00 H new ATOM 0 HG2 PRO A 32 2.757 13.318 0.220 1.00 0.00 H new ATOM 0 HG3 PRO A 32 4.470 13.686 0.172 1.00 0.00 H new ATOM 0 HD2 PRO A 32 3.063 13.054 -2.083 1.00 0.00 H new ATOM 0 HD3 PRO A 32 4.765 12.674 -1.918 1.00 0.00 H new ATOM 435 N GLY A 33 1.861 9.339 1.350 1.00 0.00 N ATOM 436 CA GLY A 33 0.551 8.984 1.866 1.00 0.00 C ATOM 437 C GLY A 33 0.611 8.448 3.283 1.00 0.00 C ATOM 438 O GLY A 33 1.555 7.747 3.648 1.00 0.00 O ATOM 0 H GLY A 33 2.640 8.840 1.779 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -0.096 9.861 1.840 1.00 0.00 H new ATOM 0 HA3 GLY A 33 0.099 8.235 1.216 1.00 0.00 H new ATOM 442 N VAL A 34 -0.398 8.780 4.081 1.00 0.00 N ATOM 443 CA VAL A 34 -0.456 8.327 5.466 1.00 0.00 C ATOM 444 C VAL A 34 -0.961 6.890 5.553 1.00 0.00 C ATOM 445 O VAL A 34 -2.092 6.595 5.170 1.00 0.00 O ATOM 446 CB VAL A 34 -1.368 9.231 6.315 1.00 0.00 C ATOM 447 CG1 VAL A 34 -1.261 8.866 7.789 1.00 0.00 C ATOM 448 CG2 VAL A 34 -1.023 10.696 6.096 1.00 0.00 C ATOM 0 H VAL A 34 -1.186 9.360 3.793 1.00 0.00 H new ATOM 0 HA VAL A 34 0.560 8.378 5.858 1.00 0.00 H new ATOM 0 HB VAL A 34 -2.399 9.073 5.999 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -1.913 9.516 8.373 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -1.563 7.828 7.930 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -0.231 8.992 8.121 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -1.678 11.319 6.705 1.00 0.00 H new ATOM 0 HG22 VAL A 34 0.014 10.872 6.382 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -1.157 10.948 5.044 1.00 0.00 H new ATOM 458 N VAL A 35 -0.114 6.002 6.061 1.00 0.00 N ATOM 459 CA VAL A 35 -0.473 4.596 6.200 1.00 0.00 C ATOM 460 C VAL A 35 -1.574 4.410 7.238 1.00 0.00 C ATOM 461 O VAL A 35 -1.503 4.958 8.338 1.00 0.00 O ATOM 462 CB VAL A 35 0.744 3.741 6.601 1.00 0.00 C ATOM 463 CG1 VAL A 35 0.400 2.261 6.547 1.00 0.00 C ATOM 464 CG2 VAL A 35 1.933 4.052 5.706 1.00 0.00 C ATOM 0 H VAL A 35 0.826 6.231 6.383 1.00 0.00 H new ATOM 0 HA VAL A 35 -0.835 4.265 5.226 1.00 0.00 H new ATOM 0 HB VAL A 35 1.016 3.989 7.627 1.00 0.00 H new ATOM 0 HG11 VAL A 35 1.273 1.674 6.834 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -0.419 2.053 7.235 1.00 0.00 H new ATOM 0 HG13 VAL A 35 0.100 1.994 5.534 1.00 0.00 H new ATOM 0 HG21 VAL A 35 2.783 3.439 6.004 1.00 0.00 H new ATOM 0 HG22 VAL A 35 1.675 3.835 4.670 1.00 0.00 H new ATOM 0 HG23 VAL A 35 2.195 5.106 5.802 1.00 0.00 H new ATOM 474 N GLN A 36 -2.593 3.635 6.880 1.00 0.00 N ATOM 475 CA GLN A 36 -3.711 3.378 7.781 1.00 0.00 C ATOM 476 C GLN A 36 -3.836 1.886 8.080 1.00 0.00 C ATOM 477 O GLN A 36 -4.082 1.490 9.219 1.00 0.00 O ATOM 478 CB GLN A 36 -5.014 3.901 7.174 1.00 0.00 C ATOM 479 CG GLN A 36 -5.372 5.307 7.623 1.00 0.00 C ATOM 480 CD GLN A 36 -5.679 5.385 9.106 1.00 0.00 C ATOM 481 OE1 GLN A 36 -6.752 4.980 9.552 1.00 0.00 O ATOM 482 NE2 GLN A 36 -4.734 5.908 9.879 1.00 0.00 N ATOM 0 H GLN A 36 -2.668 3.174 5.973 1.00 0.00 H new ATOM 0 HA GLN A 36 -3.520 3.903 8.717 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -4.931 3.886 6.087 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -5.827 3.225 7.441 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -4.547 5.980 7.391 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -6.236 5.656 7.058 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -3.859 6.231 9.467 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -4.883 5.986 10.885 1.00 0.00 H new ATOM 491 N TYR A 37 -3.667 1.065 7.049 1.00 0.00 N ATOM 492 CA TYR A 37 -3.761 -0.383 7.201 1.00 0.00 C ATOM 493 C TYR A 37 -2.460 -1.059 6.780 1.00 0.00 C ATOM 494 O TYR A 37 -1.735 -0.554 5.923 1.00 0.00 O ATOM 495 CB TYR A 37 -4.928 -0.928 6.375 1.00 0.00 C ATOM 496 CG TYR A 37 -5.817 -1.882 7.140 1.00 0.00 C ATOM 497 CD1 TYR A 37 -6.420 -1.497 8.330 1.00 0.00 C ATOM 498 CD2 TYR A 37 -6.054 -3.168 6.671 1.00 0.00 C ATOM 499 CE1 TYR A 37 -7.233 -2.366 9.033 1.00 0.00 C ATOM 500 CE2 TYR A 37 -6.866 -4.043 7.367 1.00 0.00 C ATOM 501 CZ TYR A 37 -7.453 -3.638 8.547 1.00 0.00 C ATOM 502 OH TYR A 37 -8.262 -4.506 9.243 1.00 0.00 O ATOM 0 H TYR A 37 -3.464 1.377 6.099 1.00 0.00 H new ATOM 0 HA TYR A 37 -3.938 -0.604 8.254 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -5.529 -0.093 6.016 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -4.533 -1.438 5.496 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -6.251 -0.501 8.713 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -5.596 -3.489 5.747 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -7.693 -2.051 9.958 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -7.040 -5.039 6.988 1.00 0.00 H new ATOM 0 HH TYR A 37 -8.314 -5.360 8.765 1.00 0.00 H new ATOM 512 N LEU A 38 -2.171 -2.206 7.387 1.00 0.00 N ATOM 513 CA LEU A 38 -0.958 -2.953 7.075 1.00 0.00 C ATOM 514 C LEU A 38 -1.191 -4.453 7.218 1.00 0.00 C ATOM 515 O LEU A 38 -1.421 -4.953 8.319 1.00 0.00 O ATOM 516 CB LEU A 38 0.186 -2.512 7.989 1.00 0.00 C ATOM 517 CG LEU A 38 0.712 -1.099 7.734 1.00 0.00 C ATOM 518 CD1 LEU A 38 1.376 -0.543 8.984 1.00 0.00 C ATOM 519 CD2 LEU A 38 1.686 -1.097 6.566 1.00 0.00 C ATOM 0 H LEU A 38 -2.761 -2.638 8.098 1.00 0.00 H new ATOM 0 HA LEU A 38 -0.688 -2.744 6.040 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -0.151 -2.576 9.024 1.00 0.00 H new ATOM 0 HB3 LEU A 38 1.011 -3.216 7.878 1.00 0.00 H new ATOM 0 HG LEU A 38 -0.132 -0.458 7.480 1.00 0.00 H new ATOM 0 HD11 LEU A 38 1.744 0.463 8.784 1.00 0.00 H new ATOM 0 HD12 LEU A 38 0.651 -0.509 9.797 1.00 0.00 H new ATOM 0 HD13 LEU A 38 2.210 -1.184 9.269 1.00 0.00 H new ATOM 0 HD21 LEU A 38 2.051 -0.084 6.398 1.00 0.00 H new ATOM 0 HD22 LEU A 38 2.527 -1.752 6.792 1.00 0.00 H new ATOM 0 HD23 LEU A 38 1.179 -1.453 5.669 1.00 0.00 H new ATOM 531 N GLY A 39 -1.129 -5.165 6.098 1.00 0.00 N ATOM 532 CA GLY A 39 -1.336 -6.601 6.121 1.00 0.00 C ATOM 533 C GLY A 39 -1.897 -7.128 4.815 1.00 0.00 C ATOM 534 O GLY A 39 -1.897 -6.425 3.803 1.00 0.00 O ATOM 0 H GLY A 39 -0.939 -4.774 5.175 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -0.389 -7.098 6.333 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -2.017 -6.854 6.934 1.00 0.00 H new ATOM 538 N GLU A 40 -2.376 -8.367 4.835 1.00 0.00 N ATOM 539 CA GLU A 40 -2.943 -8.987 3.644 1.00 0.00 C ATOM 540 C GLU A 40 -4.280 -8.349 3.281 1.00 0.00 C ATOM 541 O GLU A 40 -4.867 -7.618 4.080 1.00 0.00 O ATOM 542 CB GLU A 40 -3.126 -10.491 3.862 1.00 0.00 C ATOM 543 CG GLU A 40 -1.866 -11.301 3.603 1.00 0.00 C ATOM 544 CD GLU A 40 -1.466 -12.157 4.788 1.00 0.00 C ATOM 545 OE1 GLU A 40 -1.427 -11.627 5.917 1.00 0.00 O ATOM 546 OE2 GLU A 40 -1.193 -13.359 4.587 1.00 0.00 O ATOM 0 H GLU A 40 -2.383 -8.962 5.664 1.00 0.00 H new ATOM 0 HA GLU A 40 -2.249 -8.828 2.819 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -3.455 -10.664 4.887 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -3.920 -10.851 3.208 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -2.023 -11.941 2.735 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -1.048 -10.624 3.357 1.00 0.00 H new ATOM 553 N THR A 41 -4.757 -8.631 2.073 1.00 0.00 N ATOM 554 CA THR A 41 -6.027 -8.085 1.605 1.00 0.00 C ATOM 555 C THR A 41 -6.989 -9.202 1.217 1.00 0.00 C ATOM 556 O THR A 41 -6.668 -10.384 1.347 1.00 0.00 O ATOM 557 CB THR A 41 -5.797 -7.157 0.411 1.00 0.00 C ATOM 558 OG1 THR A 41 -5.027 -7.805 -0.586 1.00 0.00 O ATOM 559 CG2 THR A 41 -5.084 -5.873 0.779 1.00 0.00 C ATOM 0 H THR A 41 -4.284 -9.234 1.400 1.00 0.00 H new ATOM 0 HA THR A 41 -6.471 -7.514 2.420 1.00 0.00 H new ATOM 0 HB THR A 41 -6.792 -6.908 0.043 1.00 0.00 H new ATOM 0 HG1 THR A 41 -4.214 -7.286 -0.760 1.00 0.00 H new ATOM 0 HG21 THR A 41 -4.953 -5.261 -0.113 1.00 0.00 H new ATOM 0 HG22 THR A 41 -5.677 -5.325 1.511 1.00 0.00 H new ATOM 0 HG23 THR A 41 -4.108 -6.108 1.205 1.00 0.00 H new ATOM 567 N GLN A 42 -8.170 -8.821 0.741 1.00 0.00 N ATOM 568 CA GLN A 42 -9.179 -9.791 0.334 1.00 0.00 C ATOM 569 C GLN A 42 -9.343 -9.802 -1.183 1.00 0.00 C ATOM 570 O GLN A 42 -9.647 -10.838 -1.777 1.00 0.00 O ATOM 571 CB GLN A 42 -10.519 -9.474 1.004 1.00 0.00 C ATOM 572 CG GLN A 42 -10.876 -10.430 2.130 1.00 0.00 C ATOM 573 CD GLN A 42 -11.541 -11.697 1.631 1.00 0.00 C ATOM 574 OE1 GLN A 42 -10.911 -12.524 0.971 1.00 0.00 O ATOM 575 NE2 GLN A 42 -12.823 -11.855 1.944 1.00 0.00 N ATOM 0 H GLN A 42 -8.451 -7.847 0.628 1.00 0.00 H new ATOM 0 HA GLN A 42 -8.847 -10.780 0.651 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -10.488 -8.458 1.397 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -11.307 -9.501 0.252 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -9.972 -10.691 2.680 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -11.542 -9.927 2.831 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -13.305 -11.144 2.493 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -13.325 -12.688 1.635 1.00 0.00 H new ATOM 584 N PHE A 43 -9.139 -8.646 -1.804 1.00 0.00 N ATOM 585 CA PHE A 43 -9.265 -8.525 -3.252 1.00 0.00 C ATOM 586 C PHE A 43 -8.142 -9.276 -3.962 1.00 0.00 C ATOM 587 O PHE A 43 -8.326 -9.788 -5.066 1.00 0.00 O ATOM 588 CB PHE A 43 -9.251 -7.051 -3.666 1.00 0.00 C ATOM 589 CG PHE A 43 -7.953 -6.354 -3.370 1.00 0.00 C ATOM 590 CD1 PHE A 43 -7.747 -5.732 -2.150 1.00 0.00 C ATOM 591 CD2 PHE A 43 -6.940 -6.321 -4.315 1.00 0.00 C ATOM 592 CE1 PHE A 43 -6.554 -5.090 -1.876 1.00 0.00 C ATOM 593 CE2 PHE A 43 -5.745 -5.680 -4.047 1.00 0.00 C ATOM 594 CZ PHE A 43 -5.552 -5.064 -2.826 1.00 0.00 C ATOM 0 H PHE A 43 -8.886 -7.780 -1.328 1.00 0.00 H new ATOM 0 HA PHE A 43 -10.216 -8.969 -3.546 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -9.456 -6.981 -4.734 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -10.059 -6.530 -3.152 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -8.528 -5.749 -1.404 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -7.086 -6.801 -5.271 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -6.406 -4.609 -0.920 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -4.963 -5.661 -4.792 1.00 0.00 H new ATOM 0 HZ PHE A 43 -4.619 -4.563 -2.615 1.00 0.00 H new ATOM 604 N ALA A 44 -6.980 -9.337 -3.319 1.00 0.00 N ATOM 605 CA ALA A 44 -5.828 -10.027 -3.889 1.00 0.00 C ATOM 606 C ALA A 44 -4.954 -10.633 -2.796 1.00 0.00 C ATOM 607 O ALA A 44 -4.875 -10.104 -1.687 1.00 0.00 O ATOM 608 CB ALA A 44 -5.015 -9.071 -4.750 1.00 0.00 C ATOM 0 H ALA A 44 -6.811 -8.918 -2.405 1.00 0.00 H new ATOM 0 HA ALA A 44 -6.195 -10.840 -4.515 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -4.158 -9.598 -5.169 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -5.638 -8.690 -5.559 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -4.665 -8.239 -4.139 1.00 0.00 H new ATOM 614 N PRO A 45 -4.280 -11.758 -3.095 1.00 0.00 N ATOM 615 CA PRO A 45 -3.407 -12.436 -2.131 1.00 0.00 C ATOM 616 C PRO A 45 -2.130 -11.650 -1.853 1.00 0.00 C ATOM 617 O PRO A 45 -1.967 -10.524 -2.324 1.00 0.00 O ATOM 618 CB PRO A 45 -3.079 -13.761 -2.820 1.00 0.00 C ATOM 619 CG PRO A 45 -3.217 -13.474 -4.276 1.00 0.00 C ATOM 620 CD PRO A 45 -4.316 -12.455 -4.395 1.00 0.00 C ATOM 0 HA PRO A 45 -3.886 -12.553 -1.159 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -2.071 -14.095 -2.576 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -3.761 -14.551 -2.505 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -2.284 -13.091 -4.688 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -3.463 -14.380 -4.831 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -4.140 -11.769 -5.223 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -5.283 -12.926 -4.572 1.00 0.00 H new ATOM 628 N GLY A 46 -1.227 -12.251 -1.085 1.00 0.00 N ATOM 629 CA GLY A 46 0.024 -11.592 -0.758 1.00 0.00 C ATOM 630 C GLY A 46 -0.155 -10.467 0.240 1.00 0.00 C ATOM 631 O GLY A 46 -1.280 -10.047 0.517 1.00 0.00 O ATOM 0 H GLY A 46 -1.339 -13.182 -0.684 1.00 0.00 H new ATOM 0 HA2 GLY A 46 0.722 -12.325 -0.353 1.00 0.00 H new ATOM 0 HA3 GLY A 46 0.471 -11.196 -1.670 1.00 0.00 H new ATOM 635 N GLN A 47 0.954 -9.977 0.783 1.00 0.00 N ATOM 636 CA GLN A 47 0.914 -8.893 1.757 1.00 0.00 C ATOM 637 C GLN A 47 0.545 -7.572 1.088 1.00 0.00 C ATOM 638 O GLN A 47 0.739 -7.399 -0.115 1.00 0.00 O ATOM 639 CB GLN A 47 2.267 -8.761 2.460 1.00 0.00 C ATOM 640 CG GLN A 47 2.762 -10.060 3.075 1.00 0.00 C ATOM 641 CD GLN A 47 2.103 -10.363 4.406 1.00 0.00 C ATOM 642 OE1 GLN A 47 0.881 -10.296 4.537 1.00 0.00 O ATOM 643 NE2 GLN A 47 2.913 -10.698 5.404 1.00 0.00 N ATOM 0 H GLN A 47 1.892 -10.314 0.565 1.00 0.00 H new ATOM 0 HA GLN A 47 0.149 -9.131 2.496 1.00 0.00 H new ATOM 0 HB2 GLN A 47 3.006 -8.403 1.743 1.00 0.00 H new ATOM 0 HB3 GLN A 47 2.189 -8.005 3.242 1.00 0.00 H new ATOM 0 HG2 GLN A 47 2.571 -10.881 2.384 1.00 0.00 H new ATOM 0 HG3 GLN A 47 3.842 -10.004 3.213 1.00 0.00 H new ATOM 0 HE21 GLN A 47 3.920 -10.741 5.251 1.00 0.00 H new ATOM 0 HE22 GLN A 47 2.528 -10.912 6.324 1.00 0.00 H new ATOM 652 N TRP A 48 0.013 -6.645 1.877 1.00 0.00 N ATOM 653 CA TRP A 48 -0.384 -5.340 1.361 1.00 0.00 C ATOM 654 C TRP A 48 -0.151 -4.250 2.403 1.00 0.00 C ATOM 655 O TRP A 48 0.125 -4.539 3.566 1.00 0.00 O ATOM 656 CB TRP A 48 -1.856 -5.359 0.947 1.00 0.00 C ATOM 657 CG TRP A 48 -2.092 -6.014 -0.379 1.00 0.00 C ATOM 658 CD1 TRP A 48 -2.324 -7.339 -0.606 1.00 0.00 C ATOM 659 CD2 TRP A 48 -2.118 -5.375 -1.661 1.00 0.00 C ATOM 660 NE1 TRP A 48 -2.493 -7.565 -1.951 1.00 0.00 N ATOM 661 CE2 TRP A 48 -2.372 -6.375 -2.620 1.00 0.00 C ATOM 662 CE3 TRP A 48 -1.953 -4.055 -2.091 1.00 0.00 C ATOM 663 CZ2 TRP A 48 -2.463 -6.095 -3.980 1.00 0.00 C ATOM 664 CZ3 TRP A 48 -2.044 -3.779 -3.442 1.00 0.00 C ATOM 665 CH2 TRP A 48 -2.298 -4.795 -4.373 1.00 0.00 C ATOM 0 H TRP A 48 -0.153 -6.773 2.875 1.00 0.00 H new ATOM 0 HA TRP A 48 0.229 -5.120 0.487 1.00 0.00 H new ATOM 0 HB2 TRP A 48 -2.434 -5.881 1.710 1.00 0.00 H new ATOM 0 HB3 TRP A 48 -2.229 -4.335 0.910 1.00 0.00 H new ATOM 0 HD1 TRP A 48 -2.368 -8.099 0.160 1.00 0.00 H new ATOM 0 HE1 TRP A 48 -2.678 -8.471 -2.381 1.00 0.00 H new ATOM 0 HE3 TRP A 48 -1.758 -3.265 -1.380 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 -2.657 -6.876 -4.700 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 -1.917 -2.763 -3.786 1.00 0.00 H new ATOM 0 HH2 TRP A 48 -2.365 -4.547 -5.422 1.00 0.00 H new ATOM 676 N ALA A 49 -0.266 -2.996 1.976 1.00 0.00 N ATOM 677 CA ALA A 49 -0.068 -1.863 2.871 1.00 0.00 C ATOM 678 C ALA A 49 -0.977 -0.699 2.492 1.00 0.00 C ATOM 679 O ALA A 49 -0.709 0.025 1.533 1.00 0.00 O ATOM 680 CB ALA A 49 1.389 -1.426 2.854 1.00 0.00 C ATOM 0 H ALA A 49 -0.495 -2.740 1.016 1.00 0.00 H new ATOM 0 HA ALA A 49 -0.329 -2.179 3.881 1.00 0.00 H new ATOM 0 HB1 ALA A 49 1.523 -0.579 3.527 1.00 0.00 H new ATOM 0 HB2 ALA A 49 2.020 -2.252 3.181 1.00 0.00 H new ATOM 0 HB3 ALA A 49 1.669 -1.133 1.842 1.00 0.00 H new ATOM 686 N GLY A 50 -2.053 -0.524 3.251 1.00 0.00 N ATOM 687 CA GLY A 50 -2.986 0.554 2.979 1.00 0.00 C ATOM 688 C GLY A 50 -2.385 1.921 3.243 1.00 0.00 C ATOM 689 O GLY A 50 -1.858 2.176 4.326 1.00 0.00 O ATOM 0 H GLY A 50 -2.296 -1.109 4.050 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -3.309 0.497 1.940 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -3.875 0.426 3.597 1.00 0.00 H new ATOM 693 N VAL A 51 -2.465 2.802 2.251 1.00 0.00 N ATOM 694 CA VAL A 51 -1.924 4.150 2.380 1.00 0.00 C ATOM 695 C VAL A 51 -2.972 5.197 2.018 1.00 0.00 C ATOM 696 O VAL A 51 -3.777 4.997 1.108 1.00 0.00 O ATOM 697 CB VAL A 51 -0.685 4.348 1.487 1.00 0.00 C ATOM 698 CG1 VAL A 51 -0.046 5.704 1.750 1.00 0.00 C ATOM 699 CG2 VAL A 51 0.320 3.226 1.708 1.00 0.00 C ATOM 0 H VAL A 51 -2.899 2.606 1.349 1.00 0.00 H new ATOM 0 HA VAL A 51 -1.632 4.276 3.423 1.00 0.00 H new ATOM 0 HB VAL A 51 -1.005 4.318 0.445 1.00 0.00 H new ATOM 0 HG11 VAL A 51 0.828 5.825 1.110 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -0.766 6.493 1.534 1.00 0.00 H new ATOM 0 HG13 VAL A 51 0.259 5.766 2.795 1.00 0.00 H new ATOM 0 HG21 VAL A 51 1.188 3.384 1.068 1.00 0.00 H new ATOM 0 HG22 VAL A 51 0.635 3.220 2.752 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -0.142 2.270 1.463 1.00 0.00 H new ATOM 709 N VAL A 52 -2.957 6.316 2.735 1.00 0.00 N ATOM 710 CA VAL A 52 -3.905 7.396 2.489 1.00 0.00 C ATOM 711 C VAL A 52 -3.209 8.612 1.887 1.00 0.00 C ATOM 712 O VAL A 52 -2.512 9.349 2.586 1.00 0.00 O ATOM 713 CB VAL A 52 -4.624 7.819 3.783 1.00 0.00 C ATOM 714 CG1 VAL A 52 -5.745 8.801 3.476 1.00 0.00 C ATOM 715 CG2 VAL A 52 -5.160 6.600 4.519 1.00 0.00 C ATOM 0 H VAL A 52 -2.298 6.498 3.492 1.00 0.00 H new ATOM 0 HA VAL A 52 -4.641 7.015 1.782 1.00 0.00 H new ATOM 0 HB VAL A 52 -3.903 8.318 4.430 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -6.241 9.088 4.403 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -5.331 9.688 2.996 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -6.467 8.331 2.808 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -5.665 6.919 5.431 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -5.866 6.070 3.879 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -4.334 5.937 4.775 1.00 0.00 H new ATOM 725 N LEU A 53 -3.401 8.816 0.589 1.00 0.00 N ATOM 726 CA LEU A 53 -2.791 9.943 -0.107 1.00 0.00 C ATOM 727 C LEU A 53 -3.518 11.243 0.223 1.00 0.00 C ATOM 728 O LEU A 53 -4.746 11.277 0.302 1.00 0.00 O ATOM 729 CB LEU A 53 -2.807 9.706 -1.618 1.00 0.00 C ATOM 730 CG LEU A 53 -1.984 8.507 -2.094 1.00 0.00 C ATOM 731 CD1 LEU A 53 -2.477 8.026 -3.450 1.00 0.00 C ATOM 732 CD2 LEU A 53 -0.508 8.867 -2.158 1.00 0.00 C ATOM 0 H LEU A 53 -3.975 8.215 -0.003 1.00 0.00 H new ATOM 0 HA LEU A 53 -1.758 10.029 0.229 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -3.840 9.568 -1.938 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -2.436 10.602 -2.115 1.00 0.00 H new ATOM 0 HG LEU A 53 -2.109 7.696 -1.377 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -1.880 7.173 -3.773 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -3.523 7.729 -3.372 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -2.382 8.831 -4.178 1.00 0.00 H new ATOM 0 HD21 LEU A 53 0.063 8.003 -2.498 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -0.365 9.694 -2.854 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -0.162 9.163 -1.168 1.00 0.00 H new ATOM 744 N ASP A 54 -2.751 12.311 0.415 1.00 0.00 N ATOM 745 CA ASP A 54 -3.322 13.614 0.736 1.00 0.00 C ATOM 746 C ASP A 54 -4.234 14.100 -0.386 1.00 0.00 C ATOM 747 O ASP A 54 -5.351 14.555 -0.139 1.00 0.00 O ATOM 748 CB ASP A 54 -2.210 14.634 0.984 1.00 0.00 C ATOM 749 CG ASP A 54 -2.693 15.836 1.774 1.00 0.00 C ATOM 750 OD1 ASP A 54 -2.803 15.726 3.013 1.00 0.00 O ATOM 751 OD2 ASP A 54 -2.961 16.885 1.152 1.00 0.00 O ATOM 0 H ASP A 54 -1.733 12.300 0.354 1.00 0.00 H new ATOM 0 HA ASP A 54 -3.917 13.509 1.643 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -1.393 14.153 1.522 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -1.808 14.969 0.028 1.00 0.00 H new ATOM 756 N ASP A 55 -3.749 14.001 -1.619 1.00 0.00 N ATOM 757 CA ASP A 55 -4.520 14.431 -2.780 1.00 0.00 C ATOM 758 C ASP A 55 -5.337 13.274 -3.351 1.00 0.00 C ATOM 759 O ASP A 55 -5.061 12.108 -3.065 1.00 0.00 O ATOM 760 CB ASP A 55 -3.590 14.993 -3.857 1.00 0.00 C ATOM 761 CG ASP A 55 -3.350 16.481 -3.695 1.00 0.00 C ATOM 762 OD1 ASP A 55 -3.176 16.932 -2.543 1.00 0.00 O ATOM 763 OD2 ASP A 55 -3.338 17.195 -4.719 1.00 0.00 O ATOM 0 H ASP A 55 -2.826 13.627 -1.840 1.00 0.00 H new ATOM 0 HA ASP A 55 -5.207 15.214 -2.458 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -2.636 14.468 -3.819 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -4.020 14.802 -4.840 1.00 0.00 H new ATOM 768 N PRO A 56 -6.357 13.582 -4.170 1.00 0.00 N ATOM 769 CA PRO A 56 -7.214 12.561 -4.781 1.00 0.00 C ATOM 770 C PRO A 56 -6.478 11.745 -5.840 1.00 0.00 C ATOM 771 O PRO A 56 -6.833 11.773 -7.018 1.00 0.00 O ATOM 772 CB PRO A 56 -8.341 13.377 -5.419 1.00 0.00 C ATOM 773 CG PRO A 56 -7.740 14.716 -5.676 1.00 0.00 C ATOM 774 CD PRO A 56 -6.754 14.947 -4.564 1.00 0.00 C ATOM 0 HA PRO A 56 -7.562 11.830 -4.051 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -8.690 12.916 -6.343 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -9.202 13.450 -4.755 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -7.246 14.742 -6.647 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -8.505 15.492 -5.686 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -5.899 15.533 -4.901 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -7.205 15.490 -3.733 1.00 0.00 H new ATOM 782 N VAL A 57 -5.451 11.019 -5.410 1.00 0.00 N ATOM 783 CA VAL A 57 -4.664 10.195 -6.320 1.00 0.00 C ATOM 784 C VAL A 57 -4.570 8.759 -5.817 1.00 0.00 C ATOM 785 O VAL A 57 -3.579 8.070 -6.058 1.00 0.00 O ATOM 786 CB VAL A 57 -3.242 10.758 -6.501 1.00 0.00 C ATOM 787 CG1 VAL A 57 -3.284 12.090 -7.233 1.00 0.00 C ATOM 788 CG2 VAL A 57 -2.550 10.902 -5.154 1.00 0.00 C ATOM 0 H VAL A 57 -5.145 10.985 -4.438 1.00 0.00 H new ATOM 0 HA VAL A 57 -5.176 10.208 -7.282 1.00 0.00 H new ATOM 0 HB VAL A 57 -2.667 10.057 -7.106 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -2.270 12.472 -7.351 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -3.737 11.951 -8.215 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -3.875 12.803 -6.658 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -1.546 11.301 -5.301 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -3.122 11.582 -4.522 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -2.485 9.926 -4.672 1.00 0.00 H new ATOM 798 N GLY A 58 -5.608 8.313 -5.116 1.00 0.00 N ATOM 799 CA GLY A 58 -5.620 6.961 -4.589 1.00 0.00 C ATOM 800 C GLY A 58 -6.237 5.968 -5.555 1.00 0.00 C ATOM 801 O GLY A 58 -6.394 6.260 -6.741 1.00 0.00 O ATOM 0 H GLY A 58 -6.440 8.863 -4.904 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -4.599 6.654 -4.360 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -6.176 6.945 -3.651 1.00 0.00 H new ATOM 805 N LYS A 59 -6.587 4.791 -5.047 1.00 0.00 N ATOM 806 CA LYS A 59 -7.190 3.751 -5.873 1.00 0.00 C ATOM 807 C LYS A 59 -8.542 3.324 -5.309 1.00 0.00 C ATOM 808 O LYS A 59 -9.510 3.158 -6.051 1.00 0.00 O ATOM 809 CB LYS A 59 -6.259 2.540 -5.966 1.00 0.00 C ATOM 810 CG LYS A 59 -5.032 2.782 -6.829 1.00 0.00 C ATOM 811 CD LYS A 59 -4.481 1.482 -7.391 1.00 0.00 C ATOM 812 CE LYS A 59 -3.456 1.736 -8.485 1.00 0.00 C ATOM 813 NZ LYS A 59 -3.572 0.752 -9.596 1.00 0.00 N ATOM 0 H LYS A 59 -6.464 4.533 -4.068 1.00 0.00 H new ATOM 0 HA LYS A 59 -7.345 4.160 -6.872 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -5.938 2.261 -4.962 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -6.816 1.694 -6.369 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -5.289 3.454 -7.648 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -4.263 3.279 -6.238 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -4.022 0.903 -6.589 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -5.299 0.882 -7.790 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -3.587 2.744 -8.878 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -2.453 1.688 -8.061 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -2.856 0.960 -10.321 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -3.421 -0.208 -9.226 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -4.520 0.815 -10.018 1.00 0.00 H new ATOM 827 N ASN A 60 -8.600 3.149 -3.993 1.00 0.00 N ATOM 828 CA ASN A 60 -9.833 2.742 -3.330 1.00 0.00 C ATOM 829 C ASN A 60 -10.362 3.859 -2.434 1.00 0.00 C ATOM 830 O ASN A 60 -9.843 4.975 -2.444 1.00 0.00 O ATOM 831 CB ASN A 60 -9.598 1.478 -2.502 1.00 0.00 C ATOM 832 CG ASN A 60 -8.866 0.404 -3.282 1.00 0.00 C ATOM 833 OD1 ASN A 60 -9.457 -0.296 -4.102 1.00 0.00 O ATOM 834 ND2 ASN A 60 -7.569 0.268 -3.027 1.00 0.00 N ATOM 0 H ASN A 60 -7.808 3.283 -3.365 1.00 0.00 H new ATOM 0 HA ASN A 60 -10.577 2.532 -4.098 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -9.023 1.732 -1.611 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -10.557 1.086 -2.162 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -7.024 -0.439 -3.520 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -7.119 0.871 -2.338 1.00 0.00 H new ATOM 841 N ASP A 61 -11.398 3.550 -1.662 1.00 0.00 N ATOM 842 CA ASP A 61 -11.999 4.526 -0.761 1.00 0.00 C ATOM 843 C ASP A 61 -12.194 3.933 0.631 1.00 0.00 C ATOM 844 O ASP A 61 -13.139 4.282 1.338 1.00 0.00 O ATOM 845 CB ASP A 61 -13.340 5.007 -1.316 1.00 0.00 C ATOM 846 CG ASP A 61 -14.273 3.860 -1.649 1.00 0.00 C ATOM 847 OD1 ASP A 61 -15.002 3.405 -0.743 1.00 0.00 O ATOM 848 OD2 ASP A 61 -14.275 3.416 -2.817 1.00 0.00 O ATOM 0 H ASP A 61 -11.839 2.631 -1.642 1.00 0.00 H new ATOM 0 HA ASP A 61 -11.321 5.376 -0.683 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -13.818 5.661 -0.587 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -13.166 5.602 -2.212 1.00 0.00 H new ATOM 853 N GLY A 62 -11.293 3.036 1.018 1.00 0.00 N ATOM 854 CA GLY A 62 -11.384 2.410 2.323 1.00 0.00 C ATOM 855 C GLY A 62 -11.871 0.977 2.246 1.00 0.00 C ATOM 856 O GLY A 62 -11.537 0.153 3.099 1.00 0.00 O ATOM 0 H GLY A 62 -10.502 2.732 0.451 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -10.405 2.433 2.802 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -12.061 2.987 2.953 1.00 0.00 H new ATOM 860 N ALA A 63 -12.663 0.677 1.222 1.00 0.00 N ATOM 861 CA ALA A 63 -13.196 -0.667 1.036 1.00 0.00 C ATOM 862 C ALA A 63 -12.925 -1.175 -0.376 1.00 0.00 C ATOM 863 O ALA A 63 -13.033 -0.427 -1.347 1.00 0.00 O ATOM 864 CB ALA A 63 -14.690 -0.686 1.326 1.00 0.00 C ATOM 0 H ALA A 63 -12.950 1.347 0.508 1.00 0.00 H new ATOM 0 HA ALA A 63 -12.691 -1.332 1.737 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -15.076 -1.696 1.183 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -14.865 -0.373 2.355 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -15.201 -0.003 0.647 1.00 0.00 H new ATOM 870 N VAL A 64 -12.573 -2.452 -0.482 1.00 0.00 N ATOM 871 CA VAL A 64 -12.287 -3.060 -1.776 1.00 0.00 C ATOM 872 C VAL A 64 -13.019 -4.389 -1.931 1.00 0.00 C ATOM 873 O VAL A 64 -12.579 -5.416 -1.414 1.00 0.00 O ATOM 874 CB VAL A 64 -10.777 -3.295 -1.965 1.00 0.00 C ATOM 875 CG1 VAL A 64 -10.478 -3.741 -3.388 1.00 0.00 C ATOM 876 CG2 VAL A 64 -9.994 -2.037 -1.617 1.00 0.00 C ATOM 0 H VAL A 64 -12.479 -3.085 0.312 1.00 0.00 H new ATOM 0 HA VAL A 64 -12.637 -2.363 -2.538 1.00 0.00 H new ATOM 0 HB VAL A 64 -10.465 -4.090 -1.288 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -9.406 -3.902 -3.501 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -11.008 -4.670 -3.597 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -10.805 -2.971 -4.087 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -8.929 -2.221 -1.756 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -10.309 -1.221 -2.267 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -10.183 -1.767 -0.578 1.00 0.00 H new ATOM 886 N GLY A 65 -14.140 -4.362 -2.646 1.00 0.00 N ATOM 887 CA GLY A 65 -14.915 -5.570 -2.856 1.00 0.00 C ATOM 888 C GLY A 65 -16.034 -5.726 -1.844 1.00 0.00 C ATOM 889 O GLY A 65 -17.049 -6.365 -2.124 1.00 0.00 O ATOM 0 H GLY A 65 -14.525 -3.525 -3.083 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -15.337 -5.557 -3.861 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -14.255 -6.436 -2.799 1.00 0.00 H new ATOM 893 N GLY A 66 -15.848 -5.143 -0.663 1.00 0.00 N ATOM 894 CA GLY A 66 -16.856 -5.233 0.376 1.00 0.00 C ATOM 895 C GLY A 66 -16.262 -5.137 1.767 1.00 0.00 C ATOM 896 O GLY A 66 -16.930 -4.702 2.706 1.00 0.00 O ATOM 0 H GLY A 66 -15.017 -4.610 -0.408 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -17.586 -4.435 0.240 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -17.392 -6.177 0.277 1.00 0.00 H new ATOM 900 N VAL A 67 -15.003 -5.541 1.900 1.00 0.00 N ATOM 901 CA VAL A 67 -14.319 -5.499 3.186 1.00 0.00 C ATOM 902 C VAL A 67 -13.669 -4.138 3.418 1.00 0.00 C ATOM 903 O VAL A 67 -12.815 -3.707 2.642 1.00 0.00 O ATOM 904 CB VAL A 67 -13.238 -6.592 3.284 1.00 0.00 C ATOM 905 CG1 VAL A 67 -12.674 -6.663 4.694 1.00 0.00 C ATOM 906 CG2 VAL A 67 -13.802 -7.940 2.859 1.00 0.00 C ATOM 0 H VAL A 67 -14.436 -5.901 1.132 1.00 0.00 H new ATOM 0 HA VAL A 67 -15.075 -5.675 3.951 1.00 0.00 H new ATOM 0 HB VAL A 67 -12.425 -6.333 2.606 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -11.912 -7.441 4.742 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -12.230 -5.703 4.957 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -13.475 -6.896 5.395 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -13.024 -8.700 2.935 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -14.635 -8.207 3.509 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -14.151 -7.880 1.828 1.00 0.00 H new ATOM 916 N ARG A 68 -14.080 -3.466 4.489 1.00 0.00 N ATOM 917 CA ARG A 68 -13.537 -2.155 4.822 1.00 0.00 C ATOM 918 C ARG A 68 -12.243 -2.289 5.618 1.00 0.00 C ATOM 919 O ARG A 68 -12.233 -2.849 6.714 1.00 0.00 O ATOM 920 CB ARG A 68 -14.563 -1.343 5.616 1.00 0.00 C ATOM 921 CG ARG A 68 -15.178 -0.201 4.825 1.00 0.00 C ATOM 922 CD ARG A 68 -15.728 0.882 5.742 1.00 0.00 C ATOM 923 NE ARG A 68 -17.130 0.652 6.083 1.00 0.00 N ATOM 924 CZ ARG A 68 -17.534 -0.109 7.100 1.00 0.00 C ATOM 925 NH1 ARG A 68 -16.649 -0.716 7.880 1.00 0.00 N ATOM 926 NH2 ARG A 68 -18.830 -0.260 7.337 1.00 0.00 N ATOM 0 H ARG A 68 -14.787 -3.808 5.140 1.00 0.00 H new ATOM 0 HA ARG A 68 -13.314 -1.632 3.892 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -15.357 -2.008 5.955 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -14.083 -0.939 6.508 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -14.427 0.229 4.162 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -15.979 -0.585 4.193 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -15.134 0.919 6.655 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -15.628 1.853 5.257 1.00 0.00 H new ATOM 0 HE ARG A 68 -17.843 1.101 5.508 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -15.651 -0.602 7.704 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -16.967 -1.297 8.656 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -19.515 0.206 6.742 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -19.142 -0.842 8.115 1.00 0.00 H new ATOM 940 N TYR A 69 -11.154 -1.770 5.061 1.00 0.00 N ATOM 941 CA TYR A 69 -9.855 -1.831 5.720 1.00 0.00 C ATOM 942 C TYR A 69 -9.665 -0.643 6.658 1.00 0.00 C ATOM 943 O TYR A 69 -9.382 -0.816 7.844 1.00 0.00 O ATOM 944 CB TYR A 69 -8.733 -1.858 4.681 1.00 0.00 C ATOM 945 CG TYR A 69 -8.844 -3.004 3.700 1.00 0.00 C ATOM 946 CD1 TYR A 69 -9.615 -2.886 2.550 1.00 0.00 C ATOM 947 CD2 TYR A 69 -8.178 -4.202 3.923 1.00 0.00 C ATOM 948 CE1 TYR A 69 -9.719 -3.930 1.651 1.00 0.00 C ATOM 949 CE2 TYR A 69 -8.277 -5.252 3.029 1.00 0.00 C ATOM 950 CZ TYR A 69 -9.048 -5.110 1.895 1.00 0.00 C ATOM 951 OH TYR A 69 -9.149 -6.153 1.002 1.00 0.00 O ATOM 0 H TYR A 69 -11.145 -1.302 4.155 1.00 0.00 H new ATOM 0 HA TYR A 69 -9.817 -2.747 6.309 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -8.737 -0.917 4.130 1.00 0.00 H new ATOM 0 HB3 TYR A 69 -7.774 -1.923 5.195 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -10.141 -1.963 2.356 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -7.572 -4.315 4.810 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -10.323 -3.823 0.762 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -7.754 -6.178 3.218 1.00 0.00 H new ATOM 0 HH TYR A 69 -9.731 -5.892 0.258 1.00 0.00 H new ATOM 961 N PHE A 70 -9.821 0.561 6.121 1.00 0.00 N ATOM 962 CA PHE A 70 -9.667 1.778 6.910 1.00 0.00 C ATOM 963 C PHE A 70 -10.615 2.867 6.421 1.00 0.00 C ATOM 964 O PHE A 70 -10.754 3.091 5.219 1.00 0.00 O ATOM 965 CB PHE A 70 -8.222 2.275 6.842 1.00 0.00 C ATOM 966 CG PHE A 70 -7.731 2.506 5.441 1.00 0.00 C ATOM 967 CD1 PHE A 70 -7.242 1.455 4.681 1.00 0.00 C ATOM 968 CD2 PHE A 70 -7.761 3.774 4.884 1.00 0.00 C ATOM 969 CE1 PHE A 70 -6.791 1.666 3.392 1.00 0.00 C ATOM 970 CE2 PHE A 70 -7.311 3.990 3.595 1.00 0.00 C ATOM 971 CZ PHE A 70 -6.825 2.935 2.848 1.00 0.00 C ATOM 0 H PHE A 70 -10.054 0.721 5.141 1.00 0.00 H new ATOM 0 HA PHE A 70 -9.915 1.544 7.945 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -8.139 3.205 7.405 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -7.573 1.548 7.330 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -7.213 0.460 5.101 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -8.140 4.603 5.463 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -6.412 0.839 2.810 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -7.339 4.983 3.172 1.00 0.00 H new ATOM 0 HZ PHE A 70 -6.472 3.102 1.841 1.00 0.00 H new ATOM 981 N GLU A 71 -11.267 3.543 7.362 1.00 0.00 N ATOM 982 CA GLU A 71 -12.202 4.611 7.028 1.00 0.00 C ATOM 983 C GLU A 71 -11.460 5.904 6.709 1.00 0.00 C ATOM 984 O GLU A 71 -10.937 6.568 7.604 1.00 0.00 O ATOM 985 CB GLU A 71 -13.180 4.840 8.181 1.00 0.00 C ATOM 986 CG GLU A 71 -14.307 3.822 8.236 1.00 0.00 C ATOM 987 CD GLU A 71 -15.625 4.383 7.737 1.00 0.00 C ATOM 988 OE1 GLU A 71 -16.279 5.125 8.498 1.00 0.00 O ATOM 989 OE2 GLU A 71 -16.002 4.078 6.586 1.00 0.00 O ATOM 0 H GLU A 71 -11.165 3.370 8.362 1.00 0.00 H new ATOM 0 HA GLU A 71 -12.761 4.307 6.143 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -12.631 4.813 9.122 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -13.608 5.838 8.090 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -14.036 2.953 7.636 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -14.429 3.476 9.262 1.00 0.00 H new ATOM 996 N CYS A 72 -11.419 6.257 5.428 1.00 0.00 N ATOM 997 CA CYS A 72 -10.741 7.473 4.991 1.00 0.00 C ATOM 998 C CYS A 72 -11.459 8.097 3.797 1.00 0.00 C ATOM 999 O CYS A 72 -12.350 7.484 3.208 1.00 0.00 O ATOM 1000 CB CYS A 72 -9.287 7.166 4.627 1.00 0.00 C ATOM 1001 SG CYS A 72 -8.102 7.547 5.938 1.00 0.00 S ATOM 0 H CYS A 72 -11.847 5.719 4.675 1.00 0.00 H new ATOM 0 HA CYS A 72 -10.759 8.187 5.814 1.00 0.00 H new ATOM 0 HB2 CYS A 72 -9.203 6.110 4.372 1.00 0.00 H new ATOM 0 HB3 CYS A 72 -9.020 7.732 3.735 1.00 0.00 H new ATOM 0 HG CYS A 72 -8.657 7.346 7.096 1.00 0.00 H new ATOM 1007 N PRO A 73 -11.079 9.331 3.423 1.00 0.00 N ATOM 1008 CA PRO A 73 -11.691 10.037 2.292 1.00 0.00 C ATOM 1009 C PRO A 73 -11.711 9.190 1.023 1.00 0.00 C ATOM 1010 O PRO A 73 -11.116 8.115 0.973 1.00 0.00 O ATOM 1011 CB PRO A 73 -10.789 11.258 2.106 1.00 0.00 C ATOM 1012 CG PRO A 73 -10.187 11.492 3.447 1.00 0.00 C ATOM 1013 CD PRO A 73 -10.024 10.133 4.070 1.00 0.00 C ATOM 0 HA PRO A 73 -12.735 10.287 2.483 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -10.022 11.072 1.355 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -11.360 12.124 1.772 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -9.226 11.999 3.360 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -10.829 12.127 4.058 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -9.033 9.721 3.881 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -10.153 10.169 5.152 1.00 0.00 H new ATOM 1021 N ALA A 74 -12.400 9.684 0.000 1.00 0.00 N ATOM 1022 CA ALA A 74 -12.499 8.974 -1.270 1.00 0.00 C ATOM 1023 C ALA A 74 -11.313 9.295 -2.172 1.00 0.00 C ATOM 1024 O ALA A 74 -10.761 10.394 -2.119 1.00 0.00 O ATOM 1025 CB ALA A 74 -13.806 9.319 -1.967 1.00 0.00 C ATOM 0 H ALA A 74 -12.898 10.574 0.025 1.00 0.00 H new ATOM 0 HA ALA A 74 -12.484 7.904 -1.063 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -13.866 8.782 -2.914 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -14.644 9.031 -1.332 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -13.846 10.392 -2.155 1.00 0.00 H new ATOM 1031 N LEU A 75 -10.928 8.331 -3.001 1.00 0.00 N ATOM 1032 CA LEU A 75 -9.808 8.511 -3.917 1.00 0.00 C ATOM 1033 C LEU A 75 -8.520 8.800 -3.153 1.00 0.00 C ATOM 1034 O LEU A 75 -7.631 9.490 -3.654 1.00 0.00 O ATOM 1035 CB LEU A 75 -10.101 9.652 -4.895 1.00 0.00 C ATOM 1036 CG LEU A 75 -11.507 9.644 -5.495 1.00 0.00 C ATOM 1037 CD1 LEU A 75 -11.876 11.028 -6.006 1.00 0.00 C ATOM 1038 CD2 LEU A 75 -11.603 8.618 -6.614 1.00 0.00 C ATOM 0 H LEU A 75 -11.376 7.416 -3.057 1.00 0.00 H new ATOM 0 HA LEU A 75 -9.677 7.585 -4.477 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -9.948 10.600 -4.380 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -9.375 9.609 -5.707 1.00 0.00 H new ATOM 0 HG LEU A 75 -12.214 9.367 -4.713 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -12.880 11.004 -6.430 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -11.847 11.740 -5.181 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -11.165 11.334 -6.774 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -12.611 8.626 -7.030 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -10.886 8.865 -7.397 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -11.381 7.627 -6.219 1.00 0.00 H new ATOM 1050 N GLN A 76 -8.425 8.268 -1.939 1.00 0.00 N ATOM 1051 CA GLN A 76 -7.243 8.470 -1.107 1.00 0.00 C ATOM 1052 C GLN A 76 -6.733 7.144 -0.555 1.00 0.00 C ATOM 1053 O GLN A 76 -5.530 6.883 -0.553 1.00 0.00 O ATOM 1054 CB GLN A 76 -7.561 9.427 0.044 1.00 0.00 C ATOM 1055 CG GLN A 76 -7.574 10.890 -0.368 1.00 0.00 C ATOM 1056 CD GLN A 76 -7.713 11.828 0.816 1.00 0.00 C ATOM 1057 OE1 GLN A 76 -8.595 12.685 0.843 1.00 0.00 O ATOM 1058 NE2 GLN A 76 -6.838 11.668 1.802 1.00 0.00 N ATOM 0 H GLN A 76 -9.151 7.694 -1.509 1.00 0.00 H new ATOM 0 HA GLN A 76 -6.462 8.908 -1.729 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -8.533 9.167 0.463 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -6.825 9.287 0.836 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -6.653 11.121 -0.904 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -8.398 11.061 -1.061 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -6.123 10.944 1.737 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -6.881 12.269 2.625 1.00 0.00 H new ATOM 1067 N GLY A 77 -7.655 6.313 -0.090 1.00 0.00 N ATOM 1068 CA GLY A 77 -7.283 5.022 0.459 1.00 0.00 C ATOM 1069 C GLY A 77 -6.711 4.089 -0.590 1.00 0.00 C ATOM 1070 O GLY A 77 -7.405 3.203 -1.087 1.00 0.00 O ATOM 0 H GLY A 77 -8.656 6.509 -0.083 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -6.549 5.166 1.252 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -8.158 4.559 0.915 1.00 0.00 H new ATOM 1074 N ILE A 78 -5.441 4.289 -0.927 1.00 0.00 N ATOM 1075 CA ILE A 78 -4.775 3.459 -1.924 1.00 0.00 C ATOM 1076 C ILE A 78 -4.189 2.202 -1.289 1.00 0.00 C ATOM 1077 O ILE A 78 -3.943 2.160 -0.083 1.00 0.00 O ATOM 1078 CB ILE A 78 -3.654 4.237 -2.642 1.00 0.00 C ATOM 1079 CG1 ILE A 78 -3.037 3.383 -3.753 1.00 0.00 C ATOM 1080 CG2 ILE A 78 -2.587 4.675 -1.649 1.00 0.00 C ATOM 1081 CD1 ILE A 78 -2.194 4.177 -4.728 1.00 0.00 C ATOM 0 H ILE A 78 -4.853 5.018 -0.524 1.00 0.00 H new ATOM 0 HA ILE A 78 -5.530 3.171 -2.656 1.00 0.00 H new ATOM 0 HB ILE A 78 -4.088 5.129 -3.094 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -2.421 2.605 -3.302 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -3.835 2.881 -4.300 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -1.804 5.222 -2.174 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -3.036 5.319 -0.893 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -2.156 3.797 -1.168 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -1.789 3.508 -5.487 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -2.811 4.938 -5.206 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -1.375 4.657 -4.193 1.00 0.00 H new ATOM 1093 N PHE A 79 -3.967 1.179 -2.108 1.00 0.00 N ATOM 1094 CA PHE A 79 -3.409 -0.079 -1.626 1.00 0.00 C ATOM 1095 C PHE A 79 -2.206 -0.498 -2.466 1.00 0.00 C ATOM 1096 O PHE A 79 -2.265 -0.501 -3.695 1.00 0.00 O ATOM 1097 CB PHE A 79 -4.476 -1.177 -1.654 1.00 0.00 C ATOM 1098 CG PHE A 79 -5.042 -1.497 -0.300 1.00 0.00 C ATOM 1099 CD1 PHE A 79 -4.238 -2.033 0.693 1.00 0.00 C ATOM 1100 CD2 PHE A 79 -6.379 -1.263 -0.021 1.00 0.00 C ATOM 1101 CE1 PHE A 79 -4.756 -2.328 1.940 1.00 0.00 C ATOM 1102 CE2 PHE A 79 -6.903 -1.555 1.223 1.00 0.00 C ATOM 1103 CZ PHE A 79 -6.091 -2.089 2.205 1.00 0.00 C ATOM 0 H PHE A 79 -4.165 1.197 -3.108 1.00 0.00 H new ATOM 0 HA PHE A 79 -3.076 0.068 -0.598 1.00 0.00 H new ATOM 0 HB2 PHE A 79 -5.287 -0.868 -2.314 1.00 0.00 H new ATOM 0 HB3 PHE A 79 -4.044 -2.082 -2.082 1.00 0.00 H new ATOM 0 HD1 PHE A 79 -3.194 -2.223 0.490 1.00 0.00 H new ATOM 0 HD2 PHE A 79 -7.019 -0.847 -0.785 1.00 0.00 H new ATOM 0 HE1 PHE A 79 -4.119 -2.745 2.706 1.00 0.00 H new ATOM 0 HE2 PHE A 79 -7.946 -1.366 1.428 1.00 0.00 H new ATOM 0 HZ PHE A 79 -6.499 -2.319 3.178 1.00 0.00 H new ATOM 1113 N THR A 80 -1.116 -0.850 -1.792 1.00 0.00 N ATOM 1114 CA THR A 80 0.102 -1.271 -2.476 1.00 0.00 C ATOM 1115 C THR A 80 1.001 -2.072 -1.540 1.00 0.00 C ATOM 1116 O THR A 80 0.762 -2.131 -0.333 1.00 0.00 O ATOM 1117 CB THR A 80 0.858 -0.053 -3.011 1.00 0.00 C ATOM 1118 OG1 THR A 80 2.047 -0.452 -3.671 1.00 0.00 O ATOM 1119 CG2 THR A 80 1.242 0.934 -1.931 1.00 0.00 C ATOM 0 H THR A 80 -1.051 -0.852 -0.774 1.00 0.00 H new ATOM 0 HA THR A 80 -0.182 -1.909 -3.313 1.00 0.00 H new ATOM 0 HB THR A 80 0.169 0.436 -3.699 1.00 0.00 H new ATOM 0 HG1 THR A 80 2.516 0.340 -4.008 1.00 0.00 H new ATOM 0 HG21 THR A 80 1.775 1.773 -2.378 1.00 0.00 H new ATOM 0 HG22 THR A 80 0.343 1.298 -1.434 1.00 0.00 H new ATOM 0 HG23 THR A 80 1.886 0.443 -1.201 1.00 0.00 H new ATOM 1127 N ARG A 81 2.036 -2.685 -2.103 1.00 0.00 N ATOM 1128 CA ARG A 81 2.971 -3.483 -1.318 1.00 0.00 C ATOM 1129 C ARG A 81 3.928 -2.586 -0.535 1.00 0.00 C ATOM 1130 O ARG A 81 4.322 -1.521 -1.011 1.00 0.00 O ATOM 1131 CB ARG A 81 3.766 -4.420 -2.229 1.00 0.00 C ATOM 1132 CG ARG A 81 2.913 -5.121 -3.275 1.00 0.00 C ATOM 1133 CD ARG A 81 3.646 -6.301 -3.896 1.00 0.00 C ATOM 1134 NE ARG A 81 3.944 -6.077 -5.309 1.00 0.00 N ATOM 1135 CZ ARG A 81 4.987 -5.374 -5.747 1.00 0.00 C ATOM 1136 NH1 ARG A 81 5.838 -4.828 -4.885 1.00 0.00 N ATOM 1137 NH2 ARG A 81 5.182 -5.219 -7.049 1.00 0.00 N ATOM 0 H ARG A 81 2.249 -2.645 -3.100 1.00 0.00 H new ATOM 0 HA ARG A 81 2.395 -4.078 -0.609 1.00 0.00 H new ATOM 0 HB2 ARG A 81 4.546 -3.849 -2.732 1.00 0.00 H new ATOM 0 HB3 ARG A 81 4.265 -5.171 -1.617 1.00 0.00 H new ATOM 0 HG2 ARG A 81 1.987 -5.468 -2.817 1.00 0.00 H new ATOM 0 HG3 ARG A 81 2.637 -4.412 -4.055 1.00 0.00 H new ATOM 0 HD2 ARG A 81 4.575 -6.478 -3.353 1.00 0.00 H new ATOM 0 HD3 ARG A 81 3.039 -7.201 -3.791 1.00 0.00 H new ATOM 0 HE ARG A 81 3.315 -6.484 -6.002 1.00 0.00 H new ATOM 0 HH11 ARG A 81 5.694 -4.946 -3.882 1.00 0.00 H new ATOM 0 HH12 ARG A 81 6.635 -4.291 -5.226 1.00 0.00 H new ATOM 0 HH21 ARG A 81 4.533 -5.638 -7.715 1.00 0.00 H new ATOM 0 HH22 ARG A 81 5.981 -4.681 -7.385 1.00 0.00 H new ATOM 1151 N PRO A 82 4.316 -3.005 0.683 1.00 0.00 N ATOM 1152 CA PRO A 82 5.231 -2.232 1.528 1.00 0.00 C ATOM 1153 C PRO A 82 6.512 -1.848 0.794 1.00 0.00 C ATOM 1154 O PRO A 82 6.979 -0.714 0.889 1.00 0.00 O ATOM 1155 CB PRO A 82 5.543 -3.185 2.684 1.00 0.00 C ATOM 1156 CG PRO A 82 4.369 -4.100 2.747 1.00 0.00 C ATOM 1157 CD PRO A 82 3.896 -4.262 1.330 1.00 0.00 C ATOM 0 HA PRO A 82 4.790 -1.287 1.846 1.00 0.00 H new ATOM 0 HB2 PRO A 82 6.466 -3.737 2.504 1.00 0.00 H new ATOM 0 HB3 PRO A 82 5.673 -2.642 3.620 1.00 0.00 H new ATOM 0 HG2 PRO A 82 4.646 -5.062 3.179 1.00 0.00 H new ATOM 0 HG3 PRO A 82 3.582 -3.683 3.376 1.00 0.00 H new ATOM 0 HD2 PRO A 82 4.349 -5.131 0.852 1.00 0.00 H new ATOM 0 HD3 PRO A 82 2.816 -4.398 1.280 1.00 0.00 H new ATOM 1165 N SER A 83 7.074 -2.803 0.058 1.00 0.00 N ATOM 1166 CA SER A 83 8.301 -2.566 -0.694 1.00 0.00 C ATOM 1167 C SER A 83 8.111 -1.439 -1.704 1.00 0.00 C ATOM 1168 O SER A 83 9.030 -0.664 -1.965 1.00 0.00 O ATOM 1169 CB SER A 83 8.736 -3.844 -1.414 1.00 0.00 C ATOM 1170 OG SER A 83 9.837 -3.597 -2.271 1.00 0.00 O ATOM 0 H SER A 83 6.699 -3.747 -0.033 1.00 0.00 H new ATOM 0 HA SER A 83 9.079 -2.271 0.010 1.00 0.00 H new ATOM 0 HB2 SER A 83 9.005 -4.604 -0.681 1.00 0.00 H new ATOM 0 HB3 SER A 83 7.902 -4.241 -1.993 1.00 0.00 H new ATOM 0 HG SER A 83 10.097 -4.429 -2.718 1.00 0.00 H new ATOM 1176 N LYS A 84 6.910 -1.356 -2.269 1.00 0.00 N ATOM 1177 CA LYS A 84 6.598 -0.323 -3.250 1.00 0.00 C ATOM 1178 C LYS A 84 6.694 1.066 -2.627 1.00 0.00 C ATOM 1179 O LYS A 84 7.028 2.039 -3.303 1.00 0.00 O ATOM 1180 CB LYS A 84 5.197 -0.542 -3.824 1.00 0.00 C ATOM 1181 CG LYS A 84 4.976 -1.943 -4.373 1.00 0.00 C ATOM 1182 CD LYS A 84 4.889 -1.941 -5.892 1.00 0.00 C ATOM 1183 CE LYS A 84 3.475 -1.651 -6.368 1.00 0.00 C ATOM 1184 NZ LYS A 84 3.164 -2.355 -7.644 1.00 0.00 N ATOM 0 H LYS A 84 6.138 -1.991 -2.064 1.00 0.00 H new ATOM 0 HA LYS A 84 7.328 -0.391 -4.057 1.00 0.00 H new ATOM 0 HB2 LYS A 84 4.460 -0.345 -3.046 1.00 0.00 H new ATOM 0 HB3 LYS A 84 5.022 0.183 -4.619 1.00 0.00 H new ATOM 0 HG2 LYS A 84 5.792 -2.592 -4.055 1.00 0.00 H new ATOM 0 HG3 LYS A 84 4.058 -2.358 -3.956 1.00 0.00 H new ATOM 0 HD2 LYS A 84 5.571 -1.192 -6.296 1.00 0.00 H new ATOM 0 HD3 LYS A 84 5.213 -2.908 -6.277 1.00 0.00 H new ATOM 0 HE2 LYS A 84 2.764 -1.958 -5.601 1.00 0.00 H new ATOM 0 HE3 LYS A 84 3.351 -0.577 -6.506 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 2.191 -2.132 -7.935 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 3.827 -2.044 -8.383 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 3.257 -3.382 -7.506 1.00 0.00 H new ATOM 1198 N LEU A 85 6.397 1.151 -1.335 1.00 0.00 N ATOM 1199 CA LEU A 85 6.448 2.421 -0.621 1.00 0.00 C ATOM 1200 C LEU A 85 7.891 2.845 -0.366 1.00 0.00 C ATOM 1201 O LEU A 85 8.807 2.025 -0.411 1.00 0.00 O ATOM 1202 CB LEU A 85 5.693 2.315 0.706 1.00 0.00 C ATOM 1203 CG LEU A 85 4.258 1.798 0.593 1.00 0.00 C ATOM 1204 CD1 LEU A 85 3.720 1.414 1.964 1.00 0.00 C ATOM 1205 CD2 LEU A 85 3.366 2.844 -0.057 1.00 0.00 C ATOM 0 H LEU A 85 6.118 0.355 -0.761 1.00 0.00 H new ATOM 0 HA LEU A 85 5.971 3.178 -1.243 1.00 0.00 H new ATOM 0 HB2 LEU A 85 6.250 1.655 1.372 1.00 0.00 H new ATOM 0 HB3 LEU A 85 5.673 3.299 1.175 1.00 0.00 H new ATOM 0 HG LEU A 85 4.260 0.908 -0.036 1.00 0.00 H new ATOM 0 HD11 LEU A 85 2.698 1.048 1.864 1.00 0.00 H new ATOM 0 HD12 LEU A 85 4.345 0.631 2.394 1.00 0.00 H new ATOM 0 HD13 LEU A 85 3.731 2.287 2.617 1.00 0.00 H new ATOM 0 HD21 LEU A 85 2.348 2.460 -0.130 1.00 0.00 H new ATOM 0 HD22 LEU A 85 3.369 3.751 0.547 1.00 0.00 H new ATOM 0 HD23 LEU A 85 3.740 3.072 -1.055 1.00 0.00 H new ATOM 1217 N THR A 86 8.084 4.133 -0.098 1.00 0.00 N ATOM 1218 CA THR A 86 9.415 4.668 0.165 1.00 0.00 C ATOM 1219 C THR A 86 9.343 5.861 1.113 1.00 0.00 C ATOM 1220 O THR A 86 8.312 6.526 1.213 1.00 0.00 O ATOM 1221 CB THR A 86 10.088 5.084 -1.145 1.00 0.00 C ATOM 1222 OG1 THR A 86 9.243 5.940 -1.893 1.00 0.00 O ATOM 1223 CG2 THR A 86 10.452 3.910 -2.029 1.00 0.00 C ATOM 0 H THR A 86 7.336 4.825 -0.057 1.00 0.00 H new ATOM 0 HA THR A 86 10.008 3.885 0.638 1.00 0.00 H new ATOM 0 HB THR A 86 11.005 5.594 -0.850 1.00 0.00 H new ATOM 0 HG1 THR A 86 9.691 6.196 -2.726 1.00 0.00 H new ATOM 0 HG21 THR A 86 10.925 4.274 -2.941 1.00 0.00 H new ATOM 0 HG22 THR A 86 11.143 3.255 -1.498 1.00 0.00 H new ATOM 0 HG23 THR A 86 9.550 3.354 -2.285 1.00 0.00 H new ATOM 1231 N ARG A 87 10.444 6.127 1.806 1.00 0.00 N ATOM 1232 CA ARG A 87 10.505 7.240 2.746 1.00 0.00 C ATOM 1233 C ARG A 87 11.167 8.459 2.108 1.00 0.00 C ATOM 1234 O ARG A 87 11.756 9.290 2.798 1.00 0.00 O ATOM 1235 CB ARG A 87 11.267 6.829 4.008 1.00 0.00 C ATOM 1236 CG ARG A 87 10.373 6.655 5.228 1.00 0.00 C ATOM 1237 CD ARG A 87 10.814 7.541 6.384 1.00 0.00 C ATOM 1238 NE ARG A 87 9.739 8.418 6.843 1.00 0.00 N ATOM 1239 CZ ARG A 87 9.735 9.030 8.024 1.00 0.00 C ATOM 1240 NH1 ARG A 87 10.745 8.864 8.870 1.00 0.00 N ATOM 1241 NH2 ARG A 87 8.718 9.811 8.362 1.00 0.00 N ATOM 0 H ARG A 87 11.307 5.587 1.735 1.00 0.00 H new ATOM 0 HA ARG A 87 9.484 7.508 3.019 1.00 0.00 H new ATOM 0 HB2 ARG A 87 11.793 5.894 3.817 1.00 0.00 H new ATOM 0 HB3 ARG A 87 12.024 7.582 4.227 1.00 0.00 H new ATOM 0 HG2 ARG A 87 9.343 6.892 4.961 1.00 0.00 H new ATOM 0 HG3 ARG A 87 10.388 5.612 5.544 1.00 0.00 H new ATOM 0 HD2 ARG A 87 11.150 6.916 7.212 1.00 0.00 H new ATOM 0 HD3 ARG A 87 11.667 8.145 6.073 1.00 0.00 H new ATOM 0 HE ARG A 87 8.945 8.570 6.221 1.00 0.00 H new ATOM 0 HH11 ARG A 87 11.530 8.264 8.616 1.00 0.00 H new ATOM 0 HH12 ARG A 87 10.736 9.336 9.774 1.00 0.00 H new ATOM 0 HH21 ARG A 87 7.939 9.942 7.716 1.00 0.00 H new ATOM 0 HH22 ARG A 87 8.714 10.280 9.268 1.00 0.00 H new ATOM 1255 N GLN A 88 11.066 8.558 0.786 1.00 0.00 N ATOM 1256 CA GLN A 88 11.654 9.675 0.056 1.00 0.00 C ATOM 1257 C GLN A 88 11.351 9.565 -1.439 1.00 0.00 C ATOM 1258 O GLN A 88 11.423 8.479 -2.015 1.00 0.00 O ATOM 1259 CB GLN A 88 13.168 9.719 0.281 1.00 0.00 C ATOM 1260 CG GLN A 88 13.594 10.715 1.347 1.00 0.00 C ATOM 1261 CD GLN A 88 14.426 10.078 2.445 1.00 0.00 C ATOM 1262 OE1 GLN A 88 14.228 8.914 2.793 1.00 0.00 O ATOM 1263 NE2 GLN A 88 15.364 10.841 2.994 1.00 0.00 N ATOM 0 H GLN A 88 10.583 7.878 0.199 1.00 0.00 H new ATOM 0 HA GLN A 88 11.212 10.598 0.432 1.00 0.00 H new ATOM 0 HB2 GLN A 88 13.514 8.725 0.565 1.00 0.00 H new ATOM 0 HB3 GLN A 88 13.660 9.972 -0.658 1.00 0.00 H new ATOM 0 HG2 GLN A 88 14.167 11.517 0.881 1.00 0.00 H new ATOM 0 HG3 GLN A 88 12.707 11.171 1.787 1.00 0.00 H new ATOM 0 HE21 GLN A 88 15.493 11.801 2.674 1.00 0.00 H new ATOM 0 HE22 GLN A 88 15.956 10.467 3.736 1.00 0.00 H new ATOM 1272 N PRO A 89 11.009 10.691 -2.092 1.00 0.00 N ATOM 1273 CA PRO A 89 10.698 10.706 -3.525 1.00 0.00 C ATOM 1274 C PRO A 89 11.813 10.091 -4.365 1.00 0.00 C ATOM 1275 O PRO A 89 12.923 9.879 -3.879 1.00 0.00 O ATOM 1276 CB PRO A 89 10.546 12.195 -3.846 1.00 0.00 C ATOM 1277 CG PRO A 89 10.190 12.831 -2.548 1.00 0.00 C ATOM 1278 CD PRO A 89 10.897 12.032 -1.489 1.00 0.00 C ATOM 0 HA PRO A 89 9.810 10.117 -3.753 1.00 0.00 H new ATOM 0 HB2 PRO A 89 11.470 12.609 -4.249 1.00 0.00 H new ATOM 0 HB3 PRO A 89 9.770 12.361 -4.593 1.00 0.00 H new ATOM 0 HG2 PRO A 89 10.505 13.874 -2.525 1.00 0.00 H new ATOM 0 HG3 PRO A 89 9.111 12.820 -2.391 1.00 0.00 H new ATOM 0 HD2 PRO A 89 11.876 12.451 -1.256 1.00 0.00 H new ATOM 0 HD3 PRO A 89 10.330 12.008 -0.558 1.00 0.00 H new ATOM 1286 N SER A 90 11.508 9.808 -5.627 1.00 0.00 N ATOM 1287 CA SER A 90 12.484 9.219 -6.536 1.00 0.00 C ATOM 1288 C SER A 90 12.866 10.201 -7.638 1.00 0.00 C ATOM 1289 O SER A 90 12.069 11.058 -8.022 1.00 0.00 O ATOM 1290 CB SER A 90 11.929 7.933 -7.152 1.00 0.00 C ATOM 1291 OG SER A 90 11.194 7.186 -6.197 1.00 0.00 O ATOM 0 H SER A 90 10.592 9.977 -6.043 1.00 0.00 H new ATOM 0 HA SER A 90 13.379 8.981 -5.961 1.00 0.00 H new ATOM 0 HB2 SER A 90 11.287 8.179 -7.998 1.00 0.00 H new ATOM 0 HB3 SER A 90 12.749 7.328 -7.539 1.00 0.00 H new ATOM 0 HG SER A 90 10.985 6.302 -6.564 1.00 0.00 H new ATOM 1297 N GLY A 91 14.088 10.072 -8.144 1.00 0.00 N ATOM 1298 CA GLY A 91 14.552 10.955 -9.198 1.00 0.00 C ATOM 1299 C GLY A 91 14.884 10.208 -10.477 1.00 0.00 C ATOM 1300 O GLY A 91 15.087 8.994 -10.454 1.00 0.00 O ATOM 0 H GLY A 91 14.765 9.371 -7.843 1.00 0.00 H new ATOM 0 HA2 GLY A 91 13.786 11.702 -9.406 1.00 0.00 H new ATOM 0 HA3 GLY A 91 15.436 11.492 -8.855 1.00 0.00 H new ATOM 1304 N PRO A 92 14.947 10.914 -11.621 1.00 0.00 N ATOM 1305 CA PRO A 92 15.259 10.296 -12.914 1.00 0.00 C ATOM 1306 C PRO A 92 16.540 9.469 -12.865 1.00 0.00 C ATOM 1307 O PRO A 92 17.643 10.012 -12.922 1.00 0.00 O ATOM 1308 CB PRO A 92 15.430 11.493 -13.850 1.00 0.00 C ATOM 1309 CG PRO A 92 14.625 12.580 -13.227 1.00 0.00 C ATOM 1310 CD PRO A 92 14.720 12.366 -11.741 1.00 0.00 C ATOM 0 HA PRO A 92 14.482 9.600 -13.231 1.00 0.00 H new ATOM 0 HB2 PRO A 92 16.478 11.779 -13.940 1.00 0.00 H new ATOM 0 HB3 PRO A 92 15.075 11.264 -14.855 1.00 0.00 H new ATOM 0 HG2 PRO A 92 15.011 13.560 -13.506 1.00 0.00 H new ATOM 0 HG3 PRO A 92 13.588 12.539 -13.562 1.00 0.00 H new ATOM 0 HD2 PRO A 92 15.538 12.938 -11.304 1.00 0.00 H new ATOM 0 HD3 PRO A 92 13.807 12.674 -11.231 1.00 0.00 H new ATOM 1318 N SER A 93 16.385 8.154 -12.760 1.00 0.00 N ATOM 1319 CA SER A 93 17.530 7.252 -12.703 1.00 0.00 C ATOM 1320 C SER A 93 17.955 6.822 -14.104 1.00 0.00 C ATOM 1321 O SER A 93 17.168 6.240 -14.851 1.00 0.00 O ATOM 1322 CB SER A 93 17.195 6.020 -11.860 1.00 0.00 C ATOM 1323 OG SER A 93 18.365 5.453 -11.298 1.00 0.00 O ATOM 0 H SER A 93 15.479 7.689 -12.713 1.00 0.00 H new ATOM 0 HA SER A 93 18.358 7.787 -12.239 1.00 0.00 H new ATOM 0 HB2 SER A 93 16.503 6.297 -11.065 1.00 0.00 H new ATOM 0 HB3 SER A 93 16.689 5.279 -12.479 1.00 0.00 H new ATOM 0 HG SER A 93 18.124 4.668 -10.763 1.00 0.00 H new ATOM 1329 N SER A 94 19.203 7.115 -14.454 1.00 0.00 N ATOM 1330 CA SER A 94 19.732 6.758 -15.765 1.00 0.00 C ATOM 1331 C SER A 94 20.029 5.265 -15.845 1.00 0.00 C ATOM 1332 O SER A 94 20.499 4.663 -14.880 1.00 0.00 O ATOM 1333 CB SER A 94 21.002 7.559 -16.060 1.00 0.00 C ATOM 1334 OG SER A 94 20.695 8.904 -16.382 1.00 0.00 O ATOM 0 H SER A 94 19.866 7.598 -13.848 1.00 0.00 H new ATOM 0 HA SER A 94 18.976 6.999 -16.512 1.00 0.00 H new ATOM 0 HB2 SER A 94 21.662 7.531 -15.193 1.00 0.00 H new ATOM 0 HB3 SER A 94 21.542 7.098 -16.887 1.00 0.00 H new ATOM 0 HG SER A 94 21.524 9.394 -16.564 1.00 0.00 H new ATOM 1340 N GLY A 95 19.751 4.671 -17.001 1.00 0.00 N ATOM 1341 CA GLY A 95 19.995 3.253 -17.186 1.00 0.00 C ATOM 1342 C GLY A 95 19.777 2.808 -18.618 1.00 0.00 C ATOM 1343 O GLY A 95 19.671 1.585 -18.849 1.00 0.00 O ATOM 1344 OXT GLY A 95 19.711 3.681 -19.508 1.00 0.00 O ATOM 0 H GLY A 95 19.361 5.148 -17.814 1.00 0.00 H new ATOM 0 HA2 GLY A 95 21.018 3.022 -16.889 1.00 0.00 H new ATOM 0 HA3 GLY A 95 19.336 2.686 -16.528 1.00 0.00 H new TER 1348 GLY A 95