USER MOD reduce.3.24.130724 H: found=0, std=0, add=773, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 771 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+ 180:sc= 0 (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 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 GLN : amide:sc= -0.357 K(o=-0.36,f=-0.87) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 CYS SG : rot 133:sc= -2.77! USER MOD Single : A 17 SER OG : rot 180:sc= -0.609 USER MOD Single : A 18 ASN : amide:sc= -0.64 K(o=-0.64,f=-2.2) USER MOD Single : A 19 GLN :FLIP amide:sc= -0.0821 F(o=-0.63,f=-0.082) USER MOD Single : A 23 GLN : amide:sc= -0.161 K(o=-0.16,f=-1.4!) USER MOD Single : A 27 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0166) USER MOD Single : A 28 GLN : amide:sc= -1.41 K(o=-1.4,f=-2.5!) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 33 MET CE :methyl 157:sc= -1.06 (180deg=-2.65!) USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ -160:sc= 0.968 (180deg=0.704!) USER MOD Single : A 43 SER OG : rot 59:sc= 1.24 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 SER OG : rot 180:sc= -0.162 USER MOD Single : A 56 SER OG : rot 180:sc= -0.314 USER MOD Single : A 57 TYR OH : rot -58:sc= 1.18 USER MOD Single : A 59 SER OG : rot 170:sc= -0.38 USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 71 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 74 GLN :FLIP amide:sc= 0.375 F(o=-0.2,f=0.37) USER MOD Single : A 77 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 79 TYR OH : rot -152:sc= -0.568 USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 83 ASN : amide:sc= -0.68 K(o=-0.68,f=-2.8!) USER MOD Single : A 86 CYS SG : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 96 SER OG : rot 21:sc= 0.452 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 4.960 6.954 -25.747 1.00 0.00 N ATOM 2 CA GLY A 1 5.377 7.997 -26.665 1.00 0.00 C ATOM 3 C GLY A 1 4.766 9.343 -26.330 1.00 0.00 C ATOM 4 O GLY A 1 5.145 9.977 -25.345 1.00 0.00 O ATOM 0 H1 GLY A 1 5.405 6.054 -26.019 1.00 0.00 H new ATOM 0 H2 GLY A 1 5.250 7.206 -24.781 1.00 0.00 H new ATOM 0 H3 GLY A 1 3.925 6.854 -25.783 1.00 0.00 H new ATOM 0 HA2 GLY A 1 6.464 8.080 -26.646 1.00 0.00 H new ATOM 0 HA3 GLY A 1 5.096 7.717 -27.680 1.00 0.00 H new ATOM 8 N SER A 2 3.817 9.781 -27.151 1.00 0.00 N ATOM 9 CA SER A 2 3.155 11.063 -26.940 1.00 0.00 C ATOM 10 C SER A 2 2.030 10.932 -25.918 1.00 0.00 C ATOM 11 O SER A 2 0.872 10.723 -26.277 1.00 0.00 O ATOM 12 CB SER A 2 2.600 11.598 -28.262 1.00 0.00 C ATOM 13 OG SER A 2 3.598 12.290 -28.992 1.00 0.00 O ATOM 0 H SER A 2 3.489 9.267 -27.969 1.00 0.00 H new ATOM 0 HA SER A 2 3.893 11.766 -26.553 1.00 0.00 H new ATOM 0 HB2 SER A 2 2.216 10.771 -28.860 1.00 0.00 H new ATOM 0 HB3 SER A 2 1.761 12.265 -28.064 1.00 0.00 H new ATOM 0 HG SER A 2 3.218 12.620 -29.833 1.00 0.00 H new ATOM 19 N SER A 3 2.381 11.057 -24.642 1.00 0.00 N ATOM 20 CA SER A 3 1.403 10.948 -23.566 1.00 0.00 C ATOM 21 C SER A 3 1.819 11.793 -22.366 1.00 0.00 C ATOM 22 O SER A 3 3.004 11.909 -22.056 1.00 0.00 O ATOM 23 CB SER A 3 1.238 9.487 -23.144 1.00 0.00 C ATOM 24 OG SER A 3 0.702 8.708 -24.199 1.00 0.00 O ATOM 0 H SER A 3 3.335 11.234 -24.328 1.00 0.00 H new ATOM 0 HA SER A 3 0.448 11.321 -23.937 1.00 0.00 H new ATOM 0 HB2 SER A 3 2.204 9.081 -22.843 1.00 0.00 H new ATOM 0 HB3 SER A 3 0.582 9.428 -22.275 1.00 0.00 H new ATOM 0 HG SER A 3 0.608 7.778 -23.904 1.00 0.00 H new ATOM 30 N GLY A 4 0.835 12.381 -21.694 1.00 0.00 N ATOM 31 CA GLY A 4 1.118 13.208 -20.535 1.00 0.00 C ATOM 32 C GLY A 4 1.056 12.428 -19.237 1.00 0.00 C ATOM 33 O GLY A 4 2.019 11.762 -18.858 1.00 0.00 O ATOM 0 H GLY A 4 -0.154 12.300 -21.931 1.00 0.00 H new ATOM 0 HA2 GLY A 4 2.108 13.651 -20.642 1.00 0.00 H new ATOM 0 HA3 GLY A 4 0.403 14.030 -20.496 1.00 0.00 H new ATOM 37 N SER A 5 -0.081 12.511 -18.552 1.00 0.00 N ATOM 38 CA SER A 5 -0.263 11.811 -17.286 1.00 0.00 C ATOM 39 C SER A 5 -1.481 10.894 -17.342 1.00 0.00 C ATOM 40 O SER A 5 -2.620 11.358 -17.391 1.00 0.00 O ATOM 41 CB SER A 5 -0.419 12.815 -16.142 1.00 0.00 C ATOM 42 OG SER A 5 -0.584 12.152 -14.901 1.00 0.00 O ATOM 0 H SER A 5 -0.889 13.056 -18.853 1.00 0.00 H new ATOM 0 HA SER A 5 0.622 11.200 -17.107 1.00 0.00 H new ATOM 0 HB2 SER A 5 0.458 13.461 -16.099 1.00 0.00 H new ATOM 0 HB3 SER A 5 -1.279 13.457 -16.332 1.00 0.00 H new ATOM 0 HG SER A 5 -0.680 12.815 -14.186 1.00 0.00 H new ATOM 48 N SER A 6 -1.231 9.588 -17.335 1.00 0.00 N ATOM 49 CA SER A 6 -2.306 8.604 -17.389 1.00 0.00 C ATOM 50 C SER A 6 -2.311 7.735 -16.136 1.00 0.00 C ATOM 51 O SER A 6 -3.326 7.618 -15.451 1.00 0.00 O ATOM 52 CB SER A 6 -2.159 7.725 -18.633 1.00 0.00 C ATOM 53 OG SER A 6 -2.754 8.338 -19.764 1.00 0.00 O ATOM 0 H SER A 6 -0.294 9.187 -17.292 1.00 0.00 H new ATOM 0 HA SER A 6 -3.254 9.140 -17.441 1.00 0.00 H new ATOM 0 HB2 SER A 6 -1.103 7.541 -18.829 1.00 0.00 H new ATOM 0 HB3 SER A 6 -2.624 6.756 -18.454 1.00 0.00 H new ATOM 0 HG SER A 6 -2.645 7.757 -20.546 1.00 0.00 H new ATOM 59 N GLY A 7 -1.166 7.126 -15.841 1.00 0.00 N ATOM 60 CA GLY A 7 -1.058 6.275 -14.670 1.00 0.00 C ATOM 61 C GLY A 7 -0.379 4.955 -14.974 1.00 0.00 C ATOM 62 O GLY A 7 -0.415 4.478 -16.108 1.00 0.00 O ATOM 0 H GLY A 7 -0.311 7.207 -16.392 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -0.498 6.798 -13.895 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -2.054 6.084 -14.270 1.00 0.00 H new ATOM 66 N GLN A 8 0.244 4.364 -13.959 1.00 0.00 N ATOM 67 CA GLN A 8 0.937 3.092 -14.125 1.00 0.00 C ATOM 68 C GLN A 8 0.950 2.305 -12.819 1.00 0.00 C ATOM 69 O GLN A 8 1.048 2.882 -11.735 1.00 0.00 O ATOM 70 CB GLN A 8 2.369 3.326 -14.608 1.00 0.00 C ATOM 71 CG GLN A 8 3.220 4.115 -13.626 1.00 0.00 C ATOM 72 CD GLN A 8 3.065 5.614 -13.792 1.00 0.00 C ATOM 73 OE1 GLN A 8 3.033 6.126 -14.911 1.00 0.00 O ATOM 74 NE2 GLN A 8 2.966 6.327 -12.676 1.00 0.00 N ATOM 0 H GLN A 8 0.283 4.746 -13.014 1.00 0.00 H new ATOM 0 HA GLN A 8 0.400 2.509 -14.874 1.00 0.00 H new ATOM 0 HB2 GLN A 8 2.843 2.362 -14.794 1.00 0.00 H new ATOM 0 HB3 GLN A 8 2.341 3.857 -15.560 1.00 0.00 H new ATOM 0 HG2 GLN A 8 2.947 3.836 -12.608 1.00 0.00 H new ATOM 0 HG3 GLN A 8 4.267 3.845 -13.760 1.00 0.00 H new ATOM 0 HE21 GLN A 8 2.997 5.862 -11.769 1.00 0.00 H new ATOM 0 HE22 GLN A 8 2.859 7.340 -12.726 1.00 0.00 H new ATOM 83 N LEU A 9 0.850 0.985 -12.928 1.00 0.00 N ATOM 84 CA LEU A 9 0.851 0.118 -11.755 1.00 0.00 C ATOM 85 C LEU A 9 2.213 0.129 -11.070 1.00 0.00 C ATOM 86 O LEU A 9 3.252 0.157 -11.731 1.00 0.00 O ATOM 87 CB LEU A 9 0.479 -1.312 -12.153 1.00 0.00 C ATOM 88 CG LEU A 9 -1.013 -1.649 -12.131 1.00 0.00 C ATOM 89 CD1 LEU A 9 -1.653 -1.150 -10.844 1.00 0.00 C ATOM 90 CD2 LEU A 9 -1.713 -1.052 -13.343 1.00 0.00 C ATOM 0 H LEU A 9 0.767 0.492 -13.817 1.00 0.00 H new ATOM 0 HA LEU A 9 0.109 0.498 -11.053 1.00 0.00 H new ATOM 0 HB2 LEU A 9 0.858 -1.498 -13.158 1.00 0.00 H new ATOM 0 HB3 LEU A 9 0.996 -2.000 -11.484 1.00 0.00 H new ATOM 0 HG LEU A 9 -1.122 -2.733 -12.171 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -2.714 -1.398 -10.845 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -1.170 -1.625 -9.990 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -1.533 -0.069 -10.774 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -2.773 -1.302 -13.310 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -1.595 0.032 -13.334 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -1.272 -1.457 -14.254 1.00 0.00 H new ATOM 102 N LEU A 10 2.202 0.104 -9.742 1.00 0.00 N ATOM 103 CA LEU A 10 3.437 0.109 -8.966 1.00 0.00 C ATOM 104 C LEU A 10 3.642 -1.228 -8.260 1.00 0.00 C ATOM 105 O LEU A 10 2.883 -1.590 -7.360 1.00 0.00 O ATOM 106 CB LEU A 10 3.414 1.243 -7.940 1.00 0.00 C ATOM 107 CG LEU A 10 2.755 2.546 -8.394 1.00 0.00 C ATOM 108 CD1 LEU A 10 2.838 3.596 -7.298 1.00 0.00 C ATOM 109 CD2 LEU A 10 3.405 3.054 -9.673 1.00 0.00 C ATOM 0 H LEU A 10 1.351 0.080 -9.180 1.00 0.00 H new ATOM 0 HA LEU A 10 4.268 0.267 -9.653 1.00 0.00 H new ATOM 0 HB2 LEU A 10 2.896 0.889 -7.048 1.00 0.00 H new ATOM 0 HB3 LEU A 10 4.441 1.462 -7.647 1.00 0.00 H new ATOM 0 HG LEU A 10 1.703 2.347 -8.599 1.00 0.00 H new ATOM 0 HD11 LEU A 10 2.364 4.516 -7.639 1.00 0.00 H new ATOM 0 HD12 LEU A 10 2.326 3.233 -6.407 1.00 0.00 H new ATOM 0 HD13 LEU A 10 3.884 3.793 -7.061 1.00 0.00 H new ATOM 0 HD21 LEU A 10 2.924 3.982 -9.982 1.00 0.00 H new ATOM 0 HD22 LEU A 10 4.465 3.237 -9.495 1.00 0.00 H new ATOM 0 HD23 LEU A 10 3.293 2.308 -10.459 1.00 0.00 H new ATOM 121 N THR A 11 4.674 -1.957 -8.672 1.00 0.00 N ATOM 122 CA THR A 11 4.979 -3.253 -8.079 1.00 0.00 C ATOM 123 C THR A 11 5.526 -3.095 -6.665 1.00 0.00 C ATOM 124 O THR A 11 6.714 -2.831 -6.473 1.00 0.00 O ATOM 125 CB THR A 11 6.001 -4.033 -8.928 1.00 0.00 C ATOM 126 OG1 THR A 11 5.653 -3.947 -10.314 1.00 0.00 O ATOM 127 CG2 THR A 11 6.056 -5.492 -8.502 1.00 0.00 C ATOM 0 H THR A 11 5.313 -1.672 -9.414 1.00 0.00 H new ATOM 0 HA THR A 11 4.044 -3.813 -8.044 1.00 0.00 H new ATOM 0 HB THR A 11 6.984 -3.589 -8.773 1.00 0.00 H new ATOM 0 HG1 THR A 11 6.308 -4.444 -10.847 1.00 0.00 H new ATOM 0 HG21 THR A 11 6.784 -6.023 -9.115 1.00 0.00 H new ATOM 0 HG22 THR A 11 6.350 -5.554 -7.454 1.00 0.00 H new ATOM 0 HG23 THR A 11 5.073 -5.946 -8.631 1.00 0.00 H new ATOM 135 N LEU A 12 4.653 -3.259 -5.676 1.00 0.00 N ATOM 136 CA LEU A 12 5.049 -3.135 -4.278 1.00 0.00 C ATOM 137 C LEU A 12 4.814 -4.442 -3.528 1.00 0.00 C ATOM 138 O LEU A 12 4.321 -5.417 -4.096 1.00 0.00 O ATOM 139 CB LEU A 12 4.272 -2.001 -3.606 1.00 0.00 C ATOM 140 CG LEU A 12 4.250 -0.667 -4.354 1.00 0.00 C ATOM 141 CD1 LEU A 12 3.136 0.223 -3.824 1.00 0.00 C ATOM 142 CD2 LEU A 12 5.596 0.032 -4.236 1.00 0.00 C ATOM 0 H LEU A 12 3.667 -3.478 -5.817 1.00 0.00 H new ATOM 0 HA LEU A 12 6.114 -2.906 -4.246 1.00 0.00 H new ATOM 0 HB2 LEU A 12 3.243 -2.330 -3.459 1.00 0.00 H new ATOM 0 HB3 LEU A 12 4.697 -1.833 -2.616 1.00 0.00 H new ATOM 0 HG LEU A 12 4.058 -0.866 -5.408 1.00 0.00 H new ATOM 0 HD11 LEU A 12 3.135 1.168 -4.368 1.00 0.00 H new ATOM 0 HD12 LEU A 12 2.176 -0.275 -3.961 1.00 0.00 H new ATOM 0 HD13 LEU A 12 3.297 0.415 -2.763 1.00 0.00 H new ATOM 0 HD21 LEU A 12 5.562 0.979 -4.774 1.00 0.00 H new ATOM 0 HD22 LEU A 12 5.818 0.219 -3.185 1.00 0.00 H new ATOM 0 HD23 LEU A 12 6.373 -0.601 -4.664 1.00 0.00 H new ATOM 154 N LYS A 13 5.168 -4.455 -2.247 1.00 0.00 N ATOM 155 CA LYS A 13 4.993 -5.640 -1.416 1.00 0.00 C ATOM 156 C LYS A 13 4.223 -5.304 -0.143 1.00 0.00 C ATOM 157 O LYS A 13 4.586 -4.381 0.587 1.00 0.00 O ATOM 158 CB LYS A 13 6.354 -6.242 -1.058 1.00 0.00 C ATOM 159 CG LYS A 13 7.081 -6.850 -2.245 1.00 0.00 C ATOM 160 CD LYS A 13 8.560 -7.044 -1.953 1.00 0.00 C ATOM 161 CE LYS A 13 9.336 -5.747 -2.127 1.00 0.00 C ATOM 162 NZ LYS A 13 10.787 -5.928 -1.846 1.00 0.00 N ATOM 0 H LYS A 13 5.578 -3.657 -1.762 1.00 0.00 H new ATOM 0 HA LYS A 13 4.417 -6.370 -1.985 1.00 0.00 H new ATOM 0 HB2 LYS A 13 6.980 -5.466 -0.617 1.00 0.00 H new ATOM 0 HB3 LYS A 13 6.214 -7.009 -0.297 1.00 0.00 H new ATOM 0 HG2 LYS A 13 6.630 -7.810 -2.497 1.00 0.00 H new ATOM 0 HG3 LYS A 13 6.963 -6.204 -3.115 1.00 0.00 H new ATOM 0 HD2 LYS A 13 8.686 -7.411 -0.934 1.00 0.00 H new ATOM 0 HD3 LYS A 13 8.967 -7.805 -2.619 1.00 0.00 H new ATOM 0 HE2 LYS A 13 9.206 -5.380 -3.145 1.00 0.00 H new ATOM 0 HE3 LYS A 13 8.929 -4.988 -1.460 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 11.281 -5.022 -1.975 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 10.913 -6.254 -0.867 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 11.182 -6.634 -2.500 1.00 0.00 H new ATOM 176 N ILE A 14 3.161 -6.058 0.117 1.00 0.00 N ATOM 177 CA ILE A 14 2.342 -5.840 1.303 1.00 0.00 C ATOM 178 C ILE A 14 2.754 -6.776 2.435 1.00 0.00 C ATOM 179 O ILE A 14 2.974 -7.969 2.220 1.00 0.00 O ATOM 180 CB ILE A 14 0.846 -6.047 1.001 1.00 0.00 C ATOM 181 CG1 ILE A 14 0.334 -4.942 0.074 1.00 0.00 C ATOM 182 CG2 ILE A 14 0.044 -6.076 2.293 1.00 0.00 C ATOM 183 CD1 ILE A 14 0.459 -5.281 -1.395 1.00 0.00 C ATOM 0 H ILE A 14 2.847 -6.825 -0.477 1.00 0.00 H new ATOM 0 HA ILE A 14 2.502 -4.807 1.611 1.00 0.00 H new ATOM 0 HB ILE A 14 0.721 -7.006 0.497 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -0.712 -4.741 0.305 1.00 0.00 H new ATOM 0 HG13 ILE A 14 0.887 -4.024 0.275 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -1.011 -6.223 2.063 1.00 0.00 H new ATOM 0 HG22 ILE A 14 0.396 -6.894 2.921 1.00 0.00 H new ATOM 0 HG23 ILE A 14 0.172 -5.132 2.822 1.00 0.00 H new ATOM 0 HD11 ILE A 14 0.077 -4.454 -1.993 1.00 0.00 H new ATOM 0 HD12 ILE A 14 1.507 -5.453 -1.641 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -0.117 -6.181 -1.611 1.00 0.00 H new ATOM 195 N LYS A 15 2.856 -6.228 3.641 1.00 0.00 N ATOM 196 CA LYS A 15 3.238 -7.014 4.809 1.00 0.00 C ATOM 197 C LYS A 15 2.822 -6.311 6.097 1.00 0.00 C ATOM 198 O LYS A 15 3.101 -5.127 6.287 1.00 0.00 O ATOM 199 CB LYS A 15 4.749 -7.256 4.813 1.00 0.00 C ATOM 200 CG LYS A 15 5.249 -7.957 6.064 1.00 0.00 C ATOM 201 CD LYS A 15 6.725 -7.686 6.303 1.00 0.00 C ATOM 202 CE LYS A 15 6.953 -6.286 6.851 1.00 0.00 C ATOM 203 NZ LYS A 15 8.403 -5.968 6.975 1.00 0.00 N ATOM 0 H LYS A 15 2.679 -5.242 3.836 1.00 0.00 H new ATOM 0 HA LYS A 15 2.722 -7.973 4.756 1.00 0.00 H new ATOM 0 HB2 LYS A 15 5.015 -7.853 3.941 1.00 0.00 H new ATOM 0 HB3 LYS A 15 5.262 -6.300 4.713 1.00 0.00 H new ATOM 0 HG2 LYS A 15 4.672 -7.621 6.926 1.00 0.00 H new ATOM 0 HG3 LYS A 15 5.086 -9.031 5.970 1.00 0.00 H new ATOM 0 HD2 LYS A 15 7.122 -8.421 7.003 1.00 0.00 H new ATOM 0 HD3 LYS A 15 7.274 -7.806 5.369 1.00 0.00 H new ATOM 0 HE2 LYS A 15 6.476 -5.557 6.195 1.00 0.00 H new ATOM 0 HE3 LYS A 15 6.477 -6.196 7.827 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 8.516 -5.005 7.352 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 8.854 -6.648 7.620 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 8.853 -6.029 6.039 1.00 0.00 H new ATOM 217 N CYS A 16 2.155 -7.048 6.978 1.00 0.00 N ATOM 218 CA CYS A 16 1.701 -6.495 8.249 1.00 0.00 C ATOM 219 C CYS A 16 2.854 -6.396 9.242 1.00 0.00 C ATOM 220 O CYS A 16 3.441 -7.406 9.630 1.00 0.00 O ATOM 221 CB CYS A 16 0.581 -7.357 8.834 1.00 0.00 C ATOM 222 SG CYS A 16 -0.611 -6.439 9.837 1.00 0.00 S ATOM 0 H CYS A 16 1.917 -8.029 6.836 1.00 0.00 H new ATOM 0 HA CYS A 16 1.318 -5.492 8.064 1.00 0.00 H new ATOM 0 HB2 CYS A 16 0.051 -7.848 8.018 1.00 0.00 H new ATOM 0 HB3 CYS A 16 1.024 -8.144 9.445 1.00 0.00 H new ATOM 0 HG CYS A 16 -1.819 -6.767 9.484 1.00 0.00 H new ATOM 228 N SER A 17 3.175 -5.172 9.649 1.00 0.00 N ATOM 229 CA SER A 17 4.262 -4.941 10.593 1.00 0.00 C ATOM 230 C SER A 17 4.007 -5.674 11.906 1.00 0.00 C ATOM 231 O SER A 17 4.937 -5.972 12.654 1.00 0.00 O ATOM 232 CB SER A 17 4.428 -3.443 10.856 1.00 0.00 C ATOM 233 OG SER A 17 3.592 -3.016 11.918 1.00 0.00 O ATOM 0 H SER A 17 2.698 -4.325 9.340 1.00 0.00 H new ATOM 0 HA SER A 17 5.180 -5.329 10.153 1.00 0.00 H new ATOM 0 HB2 SER A 17 5.468 -3.226 11.098 1.00 0.00 H new ATOM 0 HB3 SER A 17 4.188 -2.883 9.952 1.00 0.00 H new ATOM 0 HG SER A 17 3.718 -2.056 12.068 1.00 0.00 H new ATOM 239 N ASN A 18 2.738 -5.961 12.180 1.00 0.00 N ATOM 240 CA ASN A 18 2.359 -6.659 13.403 1.00 0.00 C ATOM 241 C ASN A 18 2.394 -8.170 13.200 1.00 0.00 C ATOM 242 O ASN A 18 2.437 -8.934 14.164 1.00 0.00 O ATOM 243 CB ASN A 18 0.961 -6.225 13.849 1.00 0.00 C ATOM 244 CG ASN A 18 0.562 -6.839 15.177 1.00 0.00 C ATOM 245 OD1 ASN A 18 1.399 -7.379 15.901 1.00 0.00 O ATOM 246 ND2 ASN A 18 -0.723 -6.760 15.503 1.00 0.00 N ATOM 0 H ASN A 18 1.955 -5.721 11.572 1.00 0.00 H new ATOM 0 HA ASN A 18 3.079 -6.398 14.179 1.00 0.00 H new ATOM 0 HB2 ASN A 18 0.929 -5.138 13.930 1.00 0.00 H new ATOM 0 HB3 ASN A 18 0.235 -6.509 13.087 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -1.051 -7.156 16.384 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -1.382 -6.303 14.872 1.00 0.00 H new ATOM 253 N GLN A 19 2.376 -8.593 11.940 1.00 0.00 N ATOM 254 CA GLN A 19 2.406 -10.014 11.611 1.00 0.00 C ATOM 255 C GLN A 19 3.674 -10.367 10.840 1.00 0.00 C ATOM 256 O GLN A 19 3.726 -10.285 9.613 1.00 0.00 O ATOM 257 CB GLN A 19 1.173 -10.395 10.791 1.00 0.00 C ATOM 258 CG GLN A 19 -0.116 -9.777 11.308 1.00 0.00 C ATOM 259 CD GLN A 19 -1.331 -10.639 11.024 1.00 0.00 C ATOM 260 OE1 GLN A 19 -2.190 -10.172 10.125 1.00 0.00 O flip ATOM 261 NE2 GLN A 19 -1.496 -11.712 11.605 1.00 0.00 N flip ATOM 0 H GLN A 19 2.341 -7.973 11.131 1.00 0.00 H new ATOM 0 HA GLN A 19 2.401 -10.578 12.544 1.00 0.00 H new ATOM 0 HB2 GLN A 19 1.325 -10.086 9.757 1.00 0.00 H new ATOM 0 HB3 GLN A 19 1.070 -11.480 10.788 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -0.032 -9.617 12.383 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -0.255 -8.798 10.850 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -0.810 -12.032 12.289 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -2.318 -12.280 11.403 1.00 0.00 H new ATOM 270 N PRO A 20 4.721 -10.770 11.574 1.00 0.00 N ATOM 271 CA PRO A 20 6.008 -11.144 10.980 1.00 0.00 C ATOM 272 C PRO A 20 5.928 -12.452 10.200 1.00 0.00 C ATOM 273 O PRO A 20 6.439 -12.552 9.085 1.00 0.00 O ATOM 274 CB PRO A 20 6.927 -11.301 12.194 1.00 0.00 C ATOM 275 CG PRO A 20 6.012 -11.626 13.323 1.00 0.00 C ATOM 276 CD PRO A 20 4.730 -10.891 13.042 1.00 0.00 C ATOM 0 HA PRO A 20 6.354 -10.404 10.259 1.00 0.00 H new ATOM 0 HB2 PRO A 20 7.659 -12.094 12.037 1.00 0.00 H new ATOM 0 HB3 PRO A 20 7.486 -10.386 12.388 1.00 0.00 H new ATOM 0 HG2 PRO A 20 5.840 -12.700 13.389 1.00 0.00 H new ATOM 0 HG3 PRO A 20 6.441 -11.313 14.275 1.00 0.00 H new ATOM 0 HD2 PRO A 20 3.863 -11.442 13.405 1.00 0.00 H new ATOM 0 HD3 PRO A 20 4.712 -9.914 13.526 1.00 0.00 H new ATOM 284 N GLU A 21 5.282 -13.451 10.793 1.00 0.00 N ATOM 285 CA GLU A 21 5.136 -14.752 10.152 1.00 0.00 C ATOM 286 C GLU A 21 4.467 -14.615 8.788 1.00 0.00 C ATOM 287 O GLU A 21 4.946 -15.158 7.792 1.00 0.00 O ATOM 288 CB GLU A 21 4.320 -15.694 11.040 1.00 0.00 C ATOM 289 CG GLU A 21 5.115 -16.288 12.191 1.00 0.00 C ATOM 290 CD GLU A 21 4.374 -17.407 12.896 1.00 0.00 C ATOM 291 OE1 GLU A 21 3.190 -17.211 13.241 1.00 0.00 O ATOM 292 OE2 GLU A 21 4.979 -18.480 13.103 1.00 0.00 O ATOM 0 H GLU A 21 4.852 -13.384 11.715 1.00 0.00 H new ATOM 0 HA GLU A 21 6.132 -15.171 10.008 1.00 0.00 H new ATOM 0 HB2 GLU A 21 3.465 -15.150 11.443 1.00 0.00 H new ATOM 0 HB3 GLU A 21 3.923 -16.504 10.428 1.00 0.00 H new ATOM 0 HG2 GLU A 21 6.065 -16.667 11.814 1.00 0.00 H new ATOM 0 HG3 GLU A 21 5.348 -15.503 12.910 1.00 0.00 H new ATOM 299 N ARG A 22 3.356 -13.886 8.751 1.00 0.00 N ATOM 300 CA ARG A 22 2.620 -13.678 7.510 1.00 0.00 C ATOM 301 C ARG A 22 3.573 -13.394 6.353 1.00 0.00 C ATOM 302 O ARG A 22 4.182 -12.327 6.287 1.00 0.00 O ATOM 303 CB ARG A 22 1.631 -12.521 7.666 1.00 0.00 C ATOM 304 CG ARG A 22 0.298 -12.936 8.268 1.00 0.00 C ATOM 305 CD ARG A 22 -0.828 -12.023 7.809 1.00 0.00 C ATOM 306 NE ARG A 22 -1.385 -12.442 6.526 1.00 0.00 N ATOM 307 CZ ARG A 22 -2.258 -13.434 6.393 1.00 0.00 C ATOM 308 NH1 ARG A 22 -2.672 -14.104 7.459 1.00 0.00 N ATOM 309 NH2 ARG A 22 -2.719 -13.757 5.191 1.00 0.00 N ATOM 0 H ARG A 22 2.946 -13.430 9.566 1.00 0.00 H new ATOM 0 HA ARG A 22 2.068 -14.591 7.287 1.00 0.00 H new ATOM 0 HB2 ARG A 22 2.080 -11.752 8.295 1.00 0.00 H new ATOM 0 HB3 ARG A 22 1.454 -12.071 6.689 1.00 0.00 H new ATOM 0 HG2 ARG A 22 0.073 -13.964 7.984 1.00 0.00 H new ATOM 0 HG3 ARG A 22 0.366 -12.914 9.356 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -1.617 -12.015 8.561 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -0.456 -11.002 7.726 1.00 0.00 H new ATOM 0 HE ARG A 22 -1.087 -11.946 5.686 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -2.320 -13.858 8.384 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -3.343 -14.865 7.354 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -2.403 -13.243 4.369 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -3.389 -14.519 5.090 1.00 0.00 H new ATOM 323 N GLN A 23 3.697 -14.356 5.445 1.00 0.00 N ATOM 324 CA GLN A 23 4.577 -14.209 4.291 1.00 0.00 C ATOM 325 C GLN A 23 4.216 -12.965 3.487 1.00 0.00 C ATOM 326 O GLN A 23 3.040 -12.651 3.305 1.00 0.00 O ATOM 327 CB GLN A 23 4.496 -15.449 3.400 1.00 0.00 C ATOM 328 CG GLN A 23 5.333 -15.346 2.135 1.00 0.00 C ATOM 329 CD GLN A 23 5.831 -16.694 1.653 1.00 0.00 C ATOM 330 OE1 GLN A 23 6.118 -17.585 2.453 1.00 0.00 O ATOM 331 NE2 GLN A 23 5.937 -16.851 0.339 1.00 0.00 N ATOM 0 H GLN A 23 3.200 -15.246 5.486 1.00 0.00 H new ATOM 0 HA GLN A 23 5.598 -14.099 4.656 1.00 0.00 H new ATOM 0 HB2 GLN A 23 4.822 -16.318 3.971 1.00 0.00 H new ATOM 0 HB3 GLN A 23 3.456 -15.620 3.124 1.00 0.00 H new ATOM 0 HG2 GLN A 23 4.740 -14.880 1.348 1.00 0.00 H new ATOM 0 HG3 GLN A 23 6.186 -14.693 2.320 1.00 0.00 H new ATOM 0 HE21 GLN A 23 5.688 -16.086 -0.288 1.00 0.00 H new ATOM 0 HE22 GLN A 23 6.267 -17.737 -0.044 1.00 0.00 H new ATOM 340 N ILE A 24 5.236 -12.261 3.007 1.00 0.00 N ATOM 341 CA ILE A 24 5.025 -11.051 2.221 1.00 0.00 C ATOM 342 C ILE A 24 4.407 -11.377 0.866 1.00 0.00 C ATOM 343 O ILE A 24 4.707 -12.410 0.266 1.00 0.00 O ATOM 344 CB ILE A 24 6.344 -10.287 2.000 1.00 0.00 C ATOM 345 CG1 ILE A 24 7.023 -9.999 3.341 1.00 0.00 C ATOM 346 CG2 ILE A 24 6.086 -8.993 1.242 1.00 0.00 C ATOM 347 CD1 ILE A 24 8.449 -9.514 3.205 1.00 0.00 C ATOM 0 H ILE A 24 6.216 -12.507 3.148 1.00 0.00 H new ATOM 0 HA ILE A 24 4.340 -10.421 2.788 1.00 0.00 H new ATOM 0 HB ILE A 24 7.011 -10.908 1.403 1.00 0.00 H new ATOM 0 HG12 ILE A 24 6.443 -9.249 3.879 1.00 0.00 H new ATOM 0 HG13 ILE A 24 7.012 -10.905 3.946 1.00 0.00 H new ATOM 0 HG21 ILE A 24 7.028 -8.464 1.094 1.00 0.00 H new ATOM 0 HG22 ILE A 24 5.641 -9.221 0.273 1.00 0.00 H new ATOM 0 HG23 ILE A 24 5.404 -8.365 1.815 1.00 0.00 H new ATOM 0 HD11 ILE A 24 8.867 -9.330 4.195 1.00 0.00 H new ATOM 0 HD12 ILE A 24 9.044 -10.272 2.695 1.00 0.00 H new ATOM 0 HD13 ILE A 24 8.466 -8.590 2.627 1.00 0.00 H new ATOM 359 N LEU A 25 3.543 -10.489 0.387 1.00 0.00 N ATOM 360 CA LEU A 25 2.882 -10.680 -0.899 1.00 0.00 C ATOM 361 C LEU A 25 3.294 -9.596 -1.890 1.00 0.00 C ATOM 362 O LEU A 25 3.974 -8.637 -1.526 1.00 0.00 O ATOM 363 CB LEU A 25 1.363 -10.673 -0.721 1.00 0.00 C ATOM 364 CG LEU A 25 0.844 -11.164 0.631 1.00 0.00 C ATOM 365 CD1 LEU A 25 -0.534 -10.586 0.915 1.00 0.00 C ATOM 366 CD2 LEU A 25 0.804 -12.684 0.668 1.00 0.00 C ATOM 0 H LEU A 25 3.284 -9.629 0.870 1.00 0.00 H new ATOM 0 HA LEU A 25 3.190 -11.647 -1.297 1.00 0.00 H new ATOM 0 HB2 LEU A 25 1.003 -9.656 -0.878 1.00 0.00 H new ATOM 0 HB3 LEU A 25 0.923 -11.291 -1.503 1.00 0.00 H new ATOM 0 HG LEU A 25 1.528 -10.820 1.407 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -0.888 -10.946 1.881 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -0.475 -9.498 0.933 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -1.228 -10.899 0.135 1.00 0.00 H new ATOM 0 HD21 LEU A 25 0.432 -13.015 1.638 1.00 0.00 H new ATOM 0 HD22 LEU A 25 0.143 -13.050 -0.118 1.00 0.00 H new ATOM 0 HD23 LEU A 25 1.808 -13.078 0.511 1.00 0.00 H new ATOM 378 N GLU A 26 2.876 -9.755 -3.142 1.00 0.00 N ATOM 379 CA GLU A 26 3.201 -8.788 -4.183 1.00 0.00 C ATOM 380 C GLU A 26 1.949 -8.373 -4.951 1.00 0.00 C ATOM 381 O GLU A 26 1.273 -9.206 -5.555 1.00 0.00 O ATOM 382 CB GLU A 26 4.234 -9.373 -5.149 1.00 0.00 C ATOM 383 CG GLU A 26 5.016 -8.320 -5.915 1.00 0.00 C ATOM 384 CD GLU A 26 5.777 -8.900 -7.092 1.00 0.00 C ATOM 385 OE1 GLU A 26 5.132 -9.257 -8.099 1.00 0.00 O ATOM 386 OE2 GLU A 26 7.020 -8.996 -7.005 1.00 0.00 O ATOM 0 H GLU A 26 2.312 -10.544 -3.459 1.00 0.00 H new ATOM 0 HA GLU A 26 3.622 -7.904 -3.703 1.00 0.00 H new ATOM 0 HB2 GLU A 26 4.932 -9.995 -4.588 1.00 0.00 H new ATOM 0 HB3 GLU A 26 3.726 -10.025 -5.860 1.00 0.00 H new ATOM 0 HG2 GLU A 26 4.330 -7.552 -6.273 1.00 0.00 H new ATOM 0 HG3 GLU A 26 5.717 -7.830 -5.239 1.00 0.00 H new ATOM 393 N LYS A 27 1.646 -7.080 -4.921 1.00 0.00 N ATOM 394 CA LYS A 27 0.476 -6.552 -5.613 1.00 0.00 C ATOM 395 C LYS A 27 0.834 -5.300 -6.408 1.00 0.00 C ATOM 396 O LYS A 27 1.774 -4.584 -6.065 1.00 0.00 O ATOM 397 CB LYS A 27 -0.634 -6.232 -4.610 1.00 0.00 C ATOM 398 CG LYS A 27 -1.577 -7.395 -4.356 1.00 0.00 C ATOM 399 CD LYS A 27 -2.454 -7.678 -5.564 1.00 0.00 C ATOM 400 CE LYS A 27 -3.731 -6.852 -5.531 1.00 0.00 C ATOM 401 NZ LYS A 27 -4.724 -7.405 -4.568 1.00 0.00 N ATOM 0 H LYS A 27 2.195 -6.378 -4.425 1.00 0.00 H new ATOM 0 HA LYS A 27 0.121 -7.313 -6.307 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -0.182 -5.928 -3.666 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -1.209 -5.382 -4.976 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -0.999 -8.285 -4.109 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -2.205 -7.173 -3.493 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -1.900 -7.458 -6.477 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -2.706 -8.738 -5.592 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -3.492 -5.825 -5.257 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -4.170 -6.822 -6.528 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -5.627 -6.899 -4.671 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -4.870 -8.416 -4.762 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -4.370 -7.286 -3.597 1.00 0.00 H new ATOM 415 N GLN A 28 0.076 -5.043 -7.470 1.00 0.00 N ATOM 416 CA GLN A 28 0.314 -3.876 -8.312 1.00 0.00 C ATOM 417 C GLN A 28 -0.874 -2.921 -8.266 1.00 0.00 C ATOM 418 O GLN A 28 -2.003 -3.302 -8.575 1.00 0.00 O ATOM 419 CB GLN A 28 0.580 -4.309 -9.755 1.00 0.00 C ATOM 420 CG GLN A 28 2.052 -4.533 -10.062 1.00 0.00 C ATOM 421 CD GLN A 28 2.398 -4.242 -11.509 1.00 0.00 C ATOM 422 OE1 GLN A 28 2.833 -3.141 -11.846 1.00 0.00 O ATOM 423 NE2 GLN A 28 2.206 -5.231 -12.374 1.00 0.00 N ATOM 0 H GLN A 28 -0.706 -5.626 -7.767 1.00 0.00 H new ATOM 0 HA GLN A 28 1.191 -3.354 -7.929 1.00 0.00 H new ATOM 0 HB2 GLN A 28 0.031 -5.229 -9.956 1.00 0.00 H new ATOM 0 HB3 GLN A 28 0.188 -3.550 -10.431 1.00 0.00 H new ATOM 0 HG2 GLN A 28 2.655 -3.898 -9.413 1.00 0.00 H new ATOM 0 HG3 GLN A 28 2.314 -5.565 -9.830 1.00 0.00 H new ATOM 0 HE21 GLN A 28 1.843 -6.128 -12.051 1.00 0.00 H new ATOM 0 HE22 GLN A 28 2.421 -5.094 -13.362 1.00 0.00 H new ATOM 432 N LEU A 29 -0.611 -1.677 -7.879 1.00 0.00 N ATOM 433 CA LEU A 29 -1.659 -0.666 -7.792 1.00 0.00 C ATOM 434 C LEU A 29 -1.196 0.652 -8.406 1.00 0.00 C ATOM 435 O LEU A 29 -0.041 1.057 -8.269 1.00 0.00 O ATOM 436 CB LEU A 29 -2.065 -0.448 -6.334 1.00 0.00 C ATOM 437 CG LEU A 29 -2.556 -1.685 -5.582 1.00 0.00 C ATOM 438 CD1 LEU A 29 -3.765 -2.289 -6.280 1.00 0.00 C ATOM 439 CD2 LEU A 29 -1.440 -2.712 -5.458 1.00 0.00 C ATOM 0 H LEU A 29 0.318 -1.345 -7.621 1.00 0.00 H new ATOM 0 HA LEU A 29 -2.522 -1.024 -8.353 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -1.210 -0.037 -5.797 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -2.852 0.306 -6.306 1.00 0.00 H new ATOM 0 HG LEU A 29 -2.856 -1.382 -4.579 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -4.101 -3.169 -5.731 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -4.569 -1.554 -6.315 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -3.492 -2.578 -7.295 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -1.808 -3.586 -4.920 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -1.109 -3.011 -6.452 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -0.603 -2.276 -4.913 1.00 0.00 H new ATOM 451 N PRO A 30 -2.117 1.339 -9.097 1.00 0.00 N ATOM 452 CA PRO A 30 -1.827 2.623 -9.743 1.00 0.00 C ATOM 453 C PRO A 30 -1.608 3.743 -8.733 1.00 0.00 C ATOM 454 O PRO A 30 -2.459 4.000 -7.882 1.00 0.00 O ATOM 455 CB PRO A 30 -3.083 2.892 -10.576 1.00 0.00 C ATOM 456 CG PRO A 30 -4.166 2.139 -9.883 1.00 0.00 C ATOM 457 CD PRO A 30 -3.513 0.916 -9.302 1.00 0.00 C ATOM 0 HA PRO A 30 -0.909 2.586 -10.330 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -3.308 3.958 -10.620 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -2.958 2.550 -11.603 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -4.624 2.745 -9.102 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -4.958 1.865 -10.580 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -3.983 0.616 -8.366 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -3.580 0.065 -9.980 1.00 0.00 H new ATOM 465 N ASP A 31 -0.461 4.407 -8.832 1.00 0.00 N ATOM 466 CA ASP A 31 -0.131 5.502 -7.928 1.00 0.00 C ATOM 467 C ASP A 31 -1.318 6.445 -7.759 1.00 0.00 C ATOM 468 O ASP A 31 -1.438 7.133 -6.745 1.00 0.00 O ATOM 469 CB ASP A 31 1.080 6.276 -8.451 1.00 0.00 C ATOM 470 CG ASP A 31 0.756 7.094 -9.685 1.00 0.00 C ATOM 471 OD1 ASP A 31 0.000 6.595 -10.545 1.00 0.00 O ATOM 472 OD2 ASP A 31 1.258 8.233 -9.792 1.00 0.00 O ATOM 0 H ASP A 31 0.255 4.206 -9.529 1.00 0.00 H new ATOM 0 HA ASP A 31 0.112 5.075 -6.955 1.00 0.00 H new ATOM 0 HB2 ASP A 31 1.451 6.937 -7.668 1.00 0.00 H new ATOM 0 HB3 ASP A 31 1.882 5.576 -8.683 1.00 0.00 H new ATOM 477 N SER A 32 -2.193 6.472 -8.759 1.00 0.00 N ATOM 478 CA SER A 32 -3.369 7.334 -8.723 1.00 0.00 C ATOM 479 C SER A 32 -4.288 6.951 -7.567 1.00 0.00 C ATOM 480 O SER A 32 -4.857 7.815 -6.900 1.00 0.00 O ATOM 481 CB SER A 32 -4.131 7.247 -10.047 1.00 0.00 C ATOM 482 OG SER A 32 -5.038 8.327 -10.185 1.00 0.00 O ATOM 0 H SER A 32 -2.110 5.907 -9.604 1.00 0.00 H new ATOM 0 HA SER A 32 -3.033 8.360 -8.572 1.00 0.00 H new ATOM 0 HB2 SER A 32 -3.425 7.252 -10.878 1.00 0.00 H new ATOM 0 HB3 SER A 32 -4.674 6.303 -10.096 1.00 0.00 H new ATOM 0 HG SER A 32 -5.511 8.249 -11.040 1.00 0.00 H new ATOM 488 N MET A 33 -4.429 5.649 -7.338 1.00 0.00 N ATOM 489 CA MET A 33 -5.278 5.151 -6.262 1.00 0.00 C ATOM 490 C MET A 33 -4.968 5.864 -4.950 1.00 0.00 C ATOM 491 O MET A 33 -3.807 5.980 -4.553 1.00 0.00 O ATOM 492 CB MET A 33 -5.091 3.642 -6.093 1.00 0.00 C ATOM 493 CG MET A 33 -6.333 2.929 -5.585 1.00 0.00 C ATOM 494 SD MET A 33 -6.452 1.231 -6.180 1.00 0.00 S ATOM 495 CE MET A 33 -5.695 0.342 -4.822 1.00 0.00 C ATOM 0 H MET A 33 -3.967 4.921 -7.883 1.00 0.00 H new ATOM 0 HA MET A 33 -6.315 5.354 -6.528 1.00 0.00 H new ATOM 0 HB2 MET A 33 -4.801 3.211 -7.051 1.00 0.00 H new ATOM 0 HB3 MET A 33 -4.269 3.461 -5.400 1.00 0.00 H new ATOM 0 HG2 MET A 33 -6.326 2.928 -4.495 1.00 0.00 H new ATOM 0 HG3 MET A 33 -7.218 3.482 -5.898 1.00 0.00 H new ATOM 0 HE1 MET A 33 -6.041 -0.692 -4.826 1.00 0.00 H new ATOM 0 HE2 MET A 33 -4.611 0.362 -4.933 1.00 0.00 H new ATOM 0 HE3 MET A 33 -5.972 0.813 -3.879 1.00 0.00 H new ATOM 505 N THR A 34 -6.012 6.341 -4.279 1.00 0.00 N ATOM 506 CA THR A 34 -5.850 7.044 -3.012 1.00 0.00 C ATOM 507 C THR A 34 -5.569 6.069 -1.875 1.00 0.00 C ATOM 508 O THR A 34 -6.117 4.967 -1.838 1.00 0.00 O ATOM 509 CB THR A 34 -7.102 7.872 -2.666 1.00 0.00 C ATOM 510 OG1 THR A 34 -8.274 7.057 -2.774 1.00 0.00 O ATOM 511 CG2 THR A 34 -7.227 9.075 -3.589 1.00 0.00 C ATOM 0 H THR A 34 -6.979 6.253 -4.592 1.00 0.00 H new ATOM 0 HA THR A 34 -5.000 7.716 -3.129 1.00 0.00 H new ATOM 0 HB THR A 34 -7.002 8.229 -1.641 1.00 0.00 H new ATOM 0 HG1 THR A 34 -9.065 7.591 -2.551 1.00 0.00 H new ATOM 0 HG21 THR A 34 -8.118 9.645 -3.326 1.00 0.00 H new ATOM 0 HG22 THR A 34 -6.347 9.709 -3.482 1.00 0.00 H new ATOM 0 HG23 THR A 34 -7.306 8.735 -4.622 1.00 0.00 H new ATOM 519 N VAL A 35 -4.712 6.481 -0.946 1.00 0.00 N ATOM 520 CA VAL A 35 -4.360 5.645 0.195 1.00 0.00 C ATOM 521 C VAL A 35 -5.590 4.952 0.769 1.00 0.00 C ATOM 522 O VAL A 35 -5.538 3.779 1.139 1.00 0.00 O ATOM 523 CB VAL A 35 -3.682 6.468 1.307 1.00 0.00 C ATOM 524 CG1 VAL A 35 -3.594 5.659 2.592 1.00 0.00 C ATOM 525 CG2 VAL A 35 -2.303 6.929 0.862 1.00 0.00 C ATOM 0 H VAL A 35 -4.249 7.389 -0.962 1.00 0.00 H new ATOM 0 HA VAL A 35 -3.659 4.893 -0.168 1.00 0.00 H new ATOM 0 HB VAL A 35 -4.290 7.351 1.503 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -3.112 6.257 3.366 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -4.597 5.384 2.918 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -3.010 4.756 2.414 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -1.838 7.509 1.659 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -1.684 6.060 0.637 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -2.397 7.549 -0.030 1.00 0.00 H new ATOM 535 N GLN A 36 -6.697 5.685 0.840 1.00 0.00 N ATOM 536 CA GLN A 36 -7.941 5.140 1.370 1.00 0.00 C ATOM 537 C GLN A 36 -8.356 3.887 0.605 1.00 0.00 C ATOM 538 O GLN A 36 -8.716 2.873 1.203 1.00 0.00 O ATOM 539 CB GLN A 36 -9.053 6.188 1.297 1.00 0.00 C ATOM 540 CG GLN A 36 -10.107 6.034 2.382 1.00 0.00 C ATOM 541 CD GLN A 36 -11.332 6.891 2.132 1.00 0.00 C ATOM 542 OE1 GLN A 36 -11.224 8.098 1.911 1.00 0.00 O ATOM 543 NE2 GLN A 36 -12.505 6.271 2.165 1.00 0.00 N ATOM 0 H GLN A 36 -6.757 6.657 0.537 1.00 0.00 H new ATOM 0 HA GLN A 36 -7.775 4.869 2.412 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -8.610 7.181 1.371 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -9.536 6.126 0.322 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -10.407 4.988 2.446 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -9.673 6.300 3.346 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -12.547 5.269 2.352 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -13.364 6.796 2.003 1.00 0.00 H new ATOM 552 N LYS A 37 -8.302 3.964 -0.720 1.00 0.00 N ATOM 553 CA LYS A 37 -8.671 2.837 -1.568 1.00 0.00 C ATOM 554 C LYS A 37 -7.903 1.581 -1.168 1.00 0.00 C ATOM 555 O LYS A 37 -8.497 0.537 -0.899 1.00 0.00 O ATOM 556 CB LYS A 37 -8.400 3.167 -3.038 1.00 0.00 C ATOM 557 CG LYS A 37 -9.503 3.980 -3.692 1.00 0.00 C ATOM 558 CD LYS A 37 -10.556 3.085 -4.323 1.00 0.00 C ATOM 559 CE LYS A 37 -11.204 3.751 -5.528 1.00 0.00 C ATOM 560 NZ LYS A 37 -12.522 3.140 -5.857 1.00 0.00 N ATOM 0 H LYS A 37 -8.006 4.796 -1.230 1.00 0.00 H new ATOM 0 HA LYS A 37 -9.736 2.648 -1.435 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -7.462 3.718 -3.111 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -8.268 2.238 -3.592 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -9.971 4.625 -2.948 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -9.074 4.631 -4.454 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -10.099 2.143 -4.628 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -11.320 2.844 -3.584 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -11.336 4.814 -5.328 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -10.541 3.669 -6.389 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -12.931 3.621 -6.683 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -12.393 2.131 -6.073 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -13.164 3.241 -5.045 1.00 0.00 H new ATOM 574 N VAL A 38 -6.579 1.690 -1.129 1.00 0.00 N ATOM 575 CA VAL A 38 -5.730 0.564 -0.759 1.00 0.00 C ATOM 576 C VAL A 38 -6.128 -0.002 0.599 1.00 0.00 C ATOM 577 O VAL A 38 -6.106 -1.214 0.810 1.00 0.00 O ATOM 578 CB VAL A 38 -4.244 0.971 -0.719 1.00 0.00 C ATOM 579 CG1 VAL A 38 -3.370 -0.232 -0.397 1.00 0.00 C ATOM 580 CG2 VAL A 38 -3.830 1.604 -2.038 1.00 0.00 C ATOM 0 H VAL A 38 -6.071 2.547 -1.349 1.00 0.00 H new ATOM 0 HA VAL A 38 -5.869 -0.202 -1.522 1.00 0.00 H new ATOM 0 HB VAL A 38 -4.108 1.710 0.070 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -2.324 0.074 -0.373 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -3.652 -0.637 0.575 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -3.507 -0.996 -1.162 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -2.778 1.885 -1.992 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -3.980 0.889 -2.847 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -4.435 2.492 -2.221 1.00 0.00 H new ATOM 590 N LYS A 39 -6.492 0.885 1.519 1.00 0.00 N ATOM 591 CA LYS A 39 -6.898 0.476 2.859 1.00 0.00 C ATOM 592 C LYS A 39 -8.207 -0.306 2.816 1.00 0.00 C ATOM 593 O LYS A 39 -8.382 -1.283 3.543 1.00 0.00 O ATOM 594 CB LYS A 39 -7.053 1.701 3.763 1.00 0.00 C ATOM 595 CG LYS A 39 -5.746 2.426 4.034 1.00 0.00 C ATOM 596 CD LYS A 39 -5.960 3.654 4.902 1.00 0.00 C ATOM 597 CE LYS A 39 -4.648 4.166 5.477 1.00 0.00 C ATOM 598 NZ LYS A 39 -4.850 4.889 6.763 1.00 0.00 N ATOM 0 H LYS A 39 -6.514 1.892 1.361 1.00 0.00 H new ATOM 0 HA LYS A 39 -6.121 -0.172 3.265 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -7.755 2.396 3.302 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -7.489 1.389 4.712 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -5.048 1.748 4.526 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -5.290 2.722 3.089 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -6.431 4.440 4.312 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -6.645 3.412 5.715 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -3.969 3.328 5.634 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -4.171 4.832 4.757 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -4.029 5.500 6.951 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -5.709 5.472 6.702 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -4.953 4.201 7.536 1.00 0.00 H new ATOM 612 N GLY A 40 -9.123 0.129 1.956 1.00 0.00 N ATOM 613 CA GLY A 40 -10.404 -0.543 1.834 1.00 0.00 C ATOM 614 C GLY A 40 -10.283 -1.907 1.184 1.00 0.00 C ATOM 615 O GLY A 40 -10.918 -2.869 1.618 1.00 0.00 O ATOM 0 H GLY A 40 -9.001 0.934 1.342 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -10.849 -0.653 2.823 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -11.082 0.077 1.247 1.00 0.00 H new ATOM 619 N LEU A 41 -9.467 -1.992 0.139 1.00 0.00 N ATOM 620 CA LEU A 41 -9.266 -3.249 -0.574 1.00 0.00 C ATOM 621 C LEU A 41 -8.916 -4.375 0.394 1.00 0.00 C ATOM 622 O LEU A 41 -9.423 -5.491 0.274 1.00 0.00 O ATOM 623 CB LEU A 41 -8.157 -3.095 -1.616 1.00 0.00 C ATOM 624 CG LEU A 41 -7.619 -4.392 -2.221 1.00 0.00 C ATOM 625 CD1 LEU A 41 -8.420 -4.778 -3.456 1.00 0.00 C ATOM 626 CD2 LEU A 41 -6.143 -4.249 -2.564 1.00 0.00 C ATOM 0 H LEU A 41 -8.934 -1.206 -0.233 1.00 0.00 H new ATOM 0 HA LEU A 41 -10.198 -3.505 -1.078 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -8.531 -2.468 -2.425 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -7.326 -2.560 -1.156 1.00 0.00 H new ATOM 0 HG LEU A 41 -7.725 -5.186 -1.482 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -8.023 -5.703 -3.873 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -9.465 -4.923 -3.181 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -8.347 -3.984 -4.200 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -5.777 -5.182 -2.993 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -6.014 -3.442 -3.285 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -5.580 -4.021 -1.659 1.00 0.00 H new ATOM 638 N LEU A 42 -8.049 -4.074 1.354 1.00 0.00 N ATOM 639 CA LEU A 42 -7.633 -5.059 2.346 1.00 0.00 C ATOM 640 C LEU A 42 -8.623 -5.117 3.505 1.00 0.00 C ATOM 641 O LEU A 42 -8.903 -6.189 4.042 1.00 0.00 O ATOM 642 CB LEU A 42 -6.235 -4.726 2.871 1.00 0.00 C ATOM 643 CG LEU A 42 -5.153 -4.517 1.811 1.00 0.00 C ATOM 644 CD1 LEU A 42 -3.965 -3.772 2.401 1.00 0.00 C ATOM 645 CD2 LEU A 42 -4.712 -5.851 1.229 1.00 0.00 C ATOM 0 H LEU A 42 -7.620 -3.155 1.467 1.00 0.00 H new ATOM 0 HA LEU A 42 -7.610 -6.036 1.863 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -6.302 -3.822 3.477 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -5.916 -5.531 3.533 1.00 0.00 H new ATOM 0 HG LEU A 42 -5.572 -3.913 1.006 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -3.205 -3.632 1.632 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -4.292 -2.800 2.769 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -3.546 -4.350 3.225 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -3.942 -5.683 0.476 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -4.311 -6.480 2.024 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -5.566 -6.348 0.769 1.00 0.00 H new ATOM 657 N SER A 43 -9.152 -3.958 3.883 1.00 0.00 N ATOM 658 CA SER A 43 -10.110 -3.877 4.979 1.00 0.00 C ATOM 659 C SER A 43 -10.989 -5.123 5.026 1.00 0.00 C ATOM 660 O SER A 43 -11.386 -5.576 6.100 1.00 0.00 O ATOM 661 CB SER A 43 -10.982 -2.628 4.831 1.00 0.00 C ATOM 662 OG SER A 43 -12.175 -2.746 5.587 1.00 0.00 O ATOM 0 H SER A 43 -8.933 -3.062 3.447 1.00 0.00 H new ATOM 0 HA SER A 43 -9.552 -3.813 5.913 1.00 0.00 H new ATOM 0 HB2 SER A 43 -10.425 -1.751 5.160 1.00 0.00 H new ATOM 0 HB3 SER A 43 -11.227 -2.474 3.780 1.00 0.00 H new ATOM 0 HG SER A 43 -11.952 -2.875 6.532 1.00 0.00 H new ATOM 668 N ARG A 44 -11.290 -5.671 3.854 1.00 0.00 N ATOM 669 CA ARG A 44 -12.123 -6.864 3.759 1.00 0.00 C ATOM 670 C ARG A 44 -11.301 -8.123 4.019 1.00 0.00 C ATOM 671 O ARG A 44 -11.684 -8.972 4.825 1.00 0.00 O ATOM 672 CB ARG A 44 -12.780 -6.946 2.380 1.00 0.00 C ATOM 673 CG ARG A 44 -13.797 -5.846 2.124 1.00 0.00 C ATOM 674 CD ARG A 44 -15.180 -6.239 2.619 1.00 0.00 C ATOM 675 NE ARG A 44 -16.024 -5.074 2.867 1.00 0.00 N ATOM 676 CZ ARG A 44 -17.352 -5.112 2.855 1.00 0.00 C ATOM 677 NH1 ARG A 44 -17.983 -6.252 2.609 1.00 0.00 N ATOM 678 NH2 ARG A 44 -18.051 -4.010 3.090 1.00 0.00 N ATOM 0 H ARG A 44 -10.969 -5.308 2.956 1.00 0.00 H new ATOM 0 HA ARG A 44 -12.900 -6.795 4.520 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -12.006 -6.899 1.614 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -13.271 -7.914 2.278 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -13.478 -4.931 2.622 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -13.839 -5.630 1.057 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -15.659 -6.883 1.882 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -15.085 -6.820 3.537 1.00 0.00 H new ATOM 0 HE ARG A 44 -15.569 -4.182 3.060 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -17.449 -7.102 2.429 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -19.003 -6.279 2.600 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -17.569 -3.131 3.280 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -19.070 -4.041 3.080 1.00 0.00 H new ATOM 692 N LEU A 45 -10.171 -8.238 3.330 1.00 0.00 N ATOM 693 CA LEU A 45 -9.294 -9.394 3.485 1.00 0.00 C ATOM 694 C LEU A 45 -8.856 -9.554 4.937 1.00 0.00 C ATOM 695 O LEU A 45 -8.879 -10.656 5.486 1.00 0.00 O ATOM 696 CB LEU A 45 -8.068 -9.252 2.582 1.00 0.00 C ATOM 697 CG LEU A 45 -6.838 -10.067 2.988 1.00 0.00 C ATOM 698 CD1 LEU A 45 -7.119 -11.556 2.860 1.00 0.00 C ATOM 699 CD2 LEU A 45 -5.636 -9.674 2.143 1.00 0.00 C ATOM 0 H LEU A 45 -9.840 -7.545 2.659 1.00 0.00 H new ATOM 0 HA LEU A 45 -9.851 -10.284 3.193 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -8.352 -9.539 1.570 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -7.787 -8.199 2.547 1.00 0.00 H new ATOM 0 HG LEU A 45 -6.609 -9.850 4.031 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -6.233 -12.120 3.153 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -7.952 -11.826 3.509 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -7.373 -11.791 1.826 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -4.770 -10.263 2.445 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -5.853 -9.862 1.092 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -5.422 -8.615 2.286 1.00 0.00 H new ATOM 711 N LEU A 46 -8.459 -8.447 5.555 1.00 0.00 N ATOM 712 CA LEU A 46 -8.017 -8.463 6.945 1.00 0.00 C ATOM 713 C LEU A 46 -9.152 -8.062 7.882 1.00 0.00 C ATOM 714 O LEU A 46 -8.942 -7.857 9.078 1.00 0.00 O ATOM 715 CB LEU A 46 -6.827 -7.521 7.134 1.00 0.00 C ATOM 716 CG LEU A 46 -5.557 -7.879 6.362 1.00 0.00 C ATOM 717 CD1 LEU A 46 -4.739 -6.631 6.071 1.00 0.00 C ATOM 718 CD2 LEU A 46 -4.730 -8.894 7.138 1.00 0.00 C ATOM 0 H LEU A 46 -8.434 -7.527 5.115 1.00 0.00 H new ATOM 0 HA LEU A 46 -7.710 -9.479 7.191 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -7.134 -6.517 6.842 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -6.584 -7.484 8.196 1.00 0.00 H new ATOM 0 HG LEU A 46 -5.846 -8.327 5.411 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -3.839 -6.906 5.521 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -5.332 -5.938 5.474 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -4.459 -6.153 7.009 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -3.830 -9.137 6.574 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -4.450 -8.473 8.104 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -5.317 -9.799 7.293 1.00 0.00 H new ATOM 730 N LYS A 47 -10.357 -7.955 7.331 1.00 0.00 N ATOM 731 CA LYS A 47 -11.527 -7.582 8.117 1.00 0.00 C ATOM 732 C LYS A 47 -11.201 -6.436 9.069 1.00 0.00 C ATOM 733 O LYS A 47 -11.570 -6.466 10.243 1.00 0.00 O ATOM 734 CB LYS A 47 -12.040 -8.787 8.909 1.00 0.00 C ATOM 735 CG LYS A 47 -12.303 -10.012 8.051 1.00 0.00 C ATOM 736 CD LYS A 47 -11.062 -10.879 7.921 1.00 0.00 C ATOM 737 CE LYS A 47 -11.417 -12.303 7.520 1.00 0.00 C ATOM 738 NZ LYS A 47 -11.672 -13.166 8.707 1.00 0.00 N ATOM 0 H LYS A 47 -10.548 -8.121 6.343 1.00 0.00 H new ATOM 0 HA LYS A 47 -12.304 -7.249 7.429 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -11.311 -9.042 9.678 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -12.961 -8.509 9.422 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -13.112 -10.597 8.488 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -12.635 -9.699 7.061 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -10.391 -10.447 7.178 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -10.524 -10.890 8.869 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -12.301 -12.291 6.883 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -10.605 -12.727 6.930 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -11.911 -14.128 8.392 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -10.820 -13.198 9.302 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -12.464 -12.775 9.257 1.00 0.00 H new ATOM 752 N VAL A 48 -10.507 -5.425 8.555 1.00 0.00 N ATOM 753 CA VAL A 48 -10.134 -4.267 9.360 1.00 0.00 C ATOM 754 C VAL A 48 -10.660 -2.976 8.743 1.00 0.00 C ATOM 755 O VAL A 48 -10.620 -2.778 7.528 1.00 0.00 O ATOM 756 CB VAL A 48 -8.605 -4.162 9.516 1.00 0.00 C ATOM 757 CG1 VAL A 48 -8.232 -2.909 10.293 1.00 0.00 C ATOM 758 CG2 VAL A 48 -8.053 -5.406 10.196 1.00 0.00 C ATOM 0 H VAL A 48 -10.192 -5.384 7.586 1.00 0.00 H new ATOM 0 HA VAL A 48 -10.584 -4.406 10.343 1.00 0.00 H new ATOM 0 HB VAL A 48 -8.160 -4.090 8.524 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -7.148 -2.852 10.393 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -8.594 -2.029 9.761 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -8.686 -2.946 11.283 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -6.972 -5.315 10.298 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -8.503 -5.511 11.183 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -8.288 -6.284 9.595 1.00 0.00 H new ATOM 768 N PRO A 49 -11.166 -2.075 9.598 1.00 0.00 N ATOM 769 CA PRO A 49 -11.710 -0.786 9.159 1.00 0.00 C ATOM 770 C PRO A 49 -10.625 0.158 8.653 1.00 0.00 C ATOM 771 O PRO A 49 -9.604 0.357 9.312 1.00 0.00 O ATOM 772 CB PRO A 49 -12.359 -0.226 10.427 1.00 0.00 C ATOM 773 CG PRO A 49 -11.623 -0.874 11.548 1.00 0.00 C ATOM 774 CD PRO A 49 -11.247 -2.245 11.058 1.00 0.00 C ATOM 0 HA PRO A 49 -12.401 -0.897 8.324 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -12.270 0.860 10.471 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -13.423 -0.461 10.464 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -10.737 -0.299 11.817 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -12.246 -0.936 12.440 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -10.297 -2.575 11.477 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -11.993 -2.989 11.335 1.00 0.00 H new ATOM 782 N VAL A 50 -10.854 0.739 7.479 1.00 0.00 N ATOM 783 CA VAL A 50 -9.896 1.665 6.886 1.00 0.00 C ATOM 784 C VAL A 50 -9.417 2.690 7.907 1.00 0.00 C ATOM 785 O VAL A 50 -8.325 3.243 7.781 1.00 0.00 O ATOM 786 CB VAL A 50 -10.504 2.404 5.679 1.00 0.00 C ATOM 787 CG1 VAL A 50 -9.596 3.540 5.235 1.00 0.00 C ATOM 788 CG2 VAL A 50 -10.757 1.435 4.534 1.00 0.00 C ATOM 0 H VAL A 50 -11.694 0.585 6.921 1.00 0.00 H new ATOM 0 HA VAL A 50 -9.048 1.070 6.549 1.00 0.00 H new ATOM 0 HB VAL A 50 -11.460 2.832 5.981 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -10.042 4.050 4.381 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -9.470 4.247 6.055 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -8.624 3.138 4.950 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -11.187 1.974 3.690 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -9.816 0.976 4.231 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -11.450 0.660 4.860 1.00 0.00 H new ATOM 798 N SER A 51 -10.243 2.940 8.919 1.00 0.00 N ATOM 799 CA SER A 51 -9.905 3.902 9.961 1.00 0.00 C ATOM 800 C SER A 51 -8.750 3.392 10.818 1.00 0.00 C ATOM 801 O SER A 51 -7.855 4.152 11.185 1.00 0.00 O ATOM 802 CB SER A 51 -11.124 4.180 10.842 1.00 0.00 C ATOM 803 OG SER A 51 -11.267 3.188 11.844 1.00 0.00 O ATOM 0 H SER A 51 -11.150 2.490 9.039 1.00 0.00 H new ATOM 0 HA SER A 51 -9.595 4.829 9.478 1.00 0.00 H new ATOM 0 HB2 SER A 51 -11.024 5.160 11.308 1.00 0.00 H new ATOM 0 HB3 SER A 51 -12.022 4.211 10.226 1.00 0.00 H new ATOM 0 HG SER A 51 -12.052 3.390 12.394 1.00 0.00 H new ATOM 809 N GLU A 52 -8.779 2.101 11.131 1.00 0.00 N ATOM 810 CA GLU A 52 -7.735 1.489 11.945 1.00 0.00 C ATOM 811 C GLU A 52 -6.631 0.908 11.067 1.00 0.00 C ATOM 812 O GLU A 52 -5.709 0.256 11.559 1.00 0.00 O ATOM 813 CB GLU A 52 -8.327 0.392 12.832 1.00 0.00 C ATOM 814 CG GLU A 52 -9.381 0.897 13.803 1.00 0.00 C ATOM 815 CD GLU A 52 -8.780 1.622 14.992 1.00 0.00 C ATOM 816 OE1 GLU A 52 -7.959 2.537 14.776 1.00 0.00 O ATOM 817 OE2 GLU A 52 -9.132 1.273 16.138 1.00 0.00 O ATOM 0 H GLU A 52 -9.513 1.459 10.834 1.00 0.00 H new ATOM 0 HA GLU A 52 -7.302 2.264 12.578 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -8.768 -0.377 12.198 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -7.523 -0.081 13.396 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -10.061 1.569 13.278 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -9.975 0.055 14.158 1.00 0.00 H new ATOM 824 N LEU A 53 -6.732 1.147 9.764 1.00 0.00 N ATOM 825 CA LEU A 53 -5.743 0.647 8.815 1.00 0.00 C ATOM 826 C LEU A 53 -4.729 1.731 8.464 1.00 0.00 C ATOM 827 O LEU A 53 -4.932 2.506 7.529 1.00 0.00 O ATOM 828 CB LEU A 53 -6.433 0.147 7.545 1.00 0.00 C ATOM 829 CG LEU A 53 -7.061 -1.244 7.625 1.00 0.00 C ATOM 830 CD1 LEU A 53 -7.989 -1.480 6.444 1.00 0.00 C ATOM 831 CD2 LEU A 53 -5.982 -2.315 7.680 1.00 0.00 C ATOM 0 H LEU A 53 -7.489 1.684 9.340 1.00 0.00 H new ATOM 0 HA LEU A 53 -5.213 -0.182 9.283 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -7.212 0.860 7.274 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -5.704 0.148 6.735 1.00 0.00 H new ATOM 0 HG LEU A 53 -7.650 -1.303 8.541 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -8.427 -2.476 6.518 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -8.783 -0.733 6.450 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -7.424 -1.401 5.515 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -6.448 -3.299 7.737 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -5.366 -2.257 6.783 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -5.358 -2.158 8.560 1.00 0.00 H new ATOM 843 N LEU A 54 -3.637 1.779 9.219 1.00 0.00 N ATOM 844 CA LEU A 54 -2.589 2.767 8.986 1.00 0.00 C ATOM 845 C LEU A 54 -1.558 2.243 7.991 1.00 0.00 C ATOM 846 O LEU A 54 -0.767 1.354 8.310 1.00 0.00 O ATOM 847 CB LEU A 54 -1.903 3.132 10.304 1.00 0.00 C ATOM 848 CG LEU A 54 -2.830 3.469 11.472 1.00 0.00 C ATOM 849 CD1 LEU A 54 -3.840 4.529 11.063 1.00 0.00 C ATOM 850 CD2 LEU A 54 -3.539 2.217 11.968 1.00 0.00 C ATOM 0 H LEU A 54 -3.454 1.146 9.997 1.00 0.00 H new ATOM 0 HA LEU A 54 -3.052 3.659 8.565 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -1.265 2.300 10.601 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -1.250 3.986 10.126 1.00 0.00 H new ATOM 0 HG LEU A 54 -2.226 3.868 12.287 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -4.491 4.756 11.907 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -3.314 5.433 10.757 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -4.440 4.159 10.232 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -4.195 2.475 12.799 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -4.131 1.789 11.159 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -2.800 1.488 12.302 1.00 0.00 H new ATOM 862 N LEU A 55 -1.570 2.801 6.786 1.00 0.00 N ATOM 863 CA LEU A 55 -0.635 2.392 5.744 1.00 0.00 C ATOM 864 C LEU A 55 0.671 3.174 5.847 1.00 0.00 C ATOM 865 O LEU A 55 0.668 4.375 6.115 1.00 0.00 O ATOM 866 CB LEU A 55 -1.258 2.599 4.362 1.00 0.00 C ATOM 867 CG LEU A 55 -1.914 1.370 3.731 1.00 0.00 C ATOM 868 CD1 LEU A 55 -0.860 0.361 3.306 1.00 0.00 C ATOM 869 CD2 LEU A 55 -2.901 0.737 4.701 1.00 0.00 C ATOM 0 H LEU A 55 -2.217 3.538 6.506 1.00 0.00 H new ATOM 0 HA LEU A 55 -0.416 1.333 5.882 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -2.007 3.387 4.437 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -0.483 2.960 3.686 1.00 0.00 H new ATOM 0 HG LEU A 55 -2.460 1.688 2.843 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -1.346 -0.506 2.859 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -0.192 0.818 2.576 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -0.285 0.046 4.177 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -3.359 -0.136 4.236 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -2.377 0.433 5.607 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -3.676 1.460 4.956 1.00 0.00 H new ATOM 881 N SER A 56 1.787 2.484 5.632 1.00 0.00 N ATOM 882 CA SER A 56 3.100 3.113 5.702 1.00 0.00 C ATOM 883 C SER A 56 4.056 2.489 4.689 1.00 0.00 C ATOM 884 O SER A 56 4.333 1.291 4.736 1.00 0.00 O ATOM 885 CB SER A 56 3.677 2.980 7.113 1.00 0.00 C ATOM 886 OG SER A 56 3.471 1.677 7.628 1.00 0.00 O ATOM 0 H SER A 56 1.807 1.489 5.408 1.00 0.00 H new ATOM 0 HA SER A 56 2.983 4.170 5.462 1.00 0.00 H new ATOM 0 HB2 SER A 56 4.744 3.203 7.095 1.00 0.00 H new ATOM 0 HB3 SER A 56 3.209 3.712 7.771 1.00 0.00 H new ATOM 0 HG SER A 56 3.850 1.618 8.530 1.00 0.00 H new ATOM 892 N TYR A 57 4.557 3.312 3.774 1.00 0.00 N ATOM 893 CA TYR A 57 5.479 2.843 2.748 1.00 0.00 C ATOM 894 C TYR A 57 6.925 3.134 3.140 1.00 0.00 C ATOM 895 O TYR A 57 7.228 4.192 3.690 1.00 0.00 O ATOM 896 CB TYR A 57 5.161 3.503 1.405 1.00 0.00 C ATOM 897 CG TYR A 57 5.903 4.801 1.178 1.00 0.00 C ATOM 898 CD1 TYR A 57 5.505 5.972 1.811 1.00 0.00 C ATOM 899 CD2 TYR A 57 7.001 4.856 0.328 1.00 0.00 C ATOM 900 CE1 TYR A 57 6.180 7.160 1.606 1.00 0.00 C ATOM 901 CE2 TYR A 57 7.682 6.039 0.118 1.00 0.00 C ATOM 902 CZ TYR A 57 7.268 7.188 0.759 1.00 0.00 C ATOM 903 OH TYR A 57 7.943 8.369 0.551 1.00 0.00 O ATOM 0 H TYR A 57 4.340 4.307 3.723 1.00 0.00 H new ATOM 0 HA TYR A 57 5.357 1.764 2.653 1.00 0.00 H new ATOM 0 HB2 TYR A 57 5.406 2.809 0.601 1.00 0.00 H new ATOM 0 HB3 TYR A 57 4.089 3.692 1.347 1.00 0.00 H new ATOM 0 HD1 TYR A 57 4.653 5.953 2.475 1.00 0.00 H new ATOM 0 HD2 TYR A 57 7.327 3.959 -0.177 1.00 0.00 H new ATOM 0 HE1 TYR A 57 5.858 8.061 2.106 1.00 0.00 H new ATOM 0 HE2 TYR A 57 8.534 6.064 -0.545 1.00 0.00 H new ATOM 0 HH TYR A 57 7.322 9.044 0.206 1.00 0.00 H new ATOM 913 N GLU A 58 7.811 2.186 2.852 1.00 0.00 N ATOM 914 CA GLU A 58 9.225 2.340 3.175 1.00 0.00 C ATOM 915 C GLU A 58 10.032 2.696 1.929 1.00 0.00 C ATOM 916 O GLU A 58 9.983 1.989 0.923 1.00 0.00 O ATOM 917 CB GLU A 58 9.771 1.055 3.800 1.00 0.00 C ATOM 918 CG GLU A 58 11.043 1.262 4.605 1.00 0.00 C ATOM 919 CD GLU A 58 11.835 -0.018 4.785 1.00 0.00 C ATOM 920 OE1 GLU A 58 12.607 -0.371 3.868 1.00 0.00 O ATOM 921 OE2 GLU A 58 11.684 -0.667 5.841 1.00 0.00 O ATOM 0 H GLU A 58 7.575 1.304 2.396 1.00 0.00 H new ATOM 0 HA GLU A 58 9.321 3.154 3.894 1.00 0.00 H new ATOM 0 HB2 GLU A 58 9.008 0.623 4.447 1.00 0.00 H new ATOM 0 HB3 GLU A 58 9.965 0.331 3.009 1.00 0.00 H new ATOM 0 HG2 GLU A 58 11.667 2.004 4.107 1.00 0.00 H new ATOM 0 HG3 GLU A 58 10.787 1.667 5.584 1.00 0.00 H new ATOM 928 N SER A 59 10.773 3.797 2.006 1.00 0.00 N ATOM 929 CA SER A 59 11.587 4.249 0.884 1.00 0.00 C ATOM 930 C SER A 59 12.725 3.271 0.608 1.00 0.00 C ATOM 931 O SER A 59 13.416 2.830 1.527 1.00 0.00 O ATOM 932 CB SER A 59 12.155 5.642 1.167 1.00 0.00 C ATOM 933 OG SER A 59 12.865 6.141 0.047 1.00 0.00 O ATOM 0 H SER A 59 10.826 4.392 2.833 1.00 0.00 H new ATOM 0 HA SER A 59 10.949 4.296 0.001 1.00 0.00 H new ATOM 0 HB2 SER A 59 11.344 6.324 1.420 1.00 0.00 H new ATOM 0 HB3 SER A 59 12.817 5.599 2.032 1.00 0.00 H new ATOM 0 HG SER A 59 13.078 7.087 0.190 1.00 0.00 H new ATOM 939 N SER A 60 12.912 2.934 -0.664 1.00 0.00 N ATOM 940 CA SER A 60 13.963 2.005 -1.062 1.00 0.00 C ATOM 941 C SER A 60 15.342 2.577 -0.748 1.00 0.00 C ATOM 942 O SER A 60 16.188 1.902 -0.161 1.00 0.00 O ATOM 943 CB SER A 60 13.856 1.691 -2.555 1.00 0.00 C ATOM 944 OG SER A 60 12.579 1.168 -2.877 1.00 0.00 O ATOM 0 H SER A 60 12.349 3.290 -1.437 1.00 0.00 H new ATOM 0 HA SER A 60 13.834 1.084 -0.494 1.00 0.00 H new ATOM 0 HB2 SER A 60 14.038 2.596 -3.134 1.00 0.00 H new ATOM 0 HB3 SER A 60 14.627 0.973 -2.835 1.00 0.00 H new ATOM 0 HG SER A 60 12.536 0.977 -3.837 1.00 0.00 H new ATOM 950 N LYS A 61 15.561 3.826 -1.144 1.00 0.00 N ATOM 951 CA LYS A 61 16.836 4.492 -0.905 1.00 0.00 C ATOM 952 C LYS A 61 17.095 4.651 0.590 1.00 0.00 C ATOM 953 O LYS A 61 18.230 4.872 1.013 1.00 0.00 O ATOM 954 CB LYS A 61 16.854 5.863 -1.585 1.00 0.00 C ATOM 955 CG LYS A 61 16.019 6.909 -0.867 1.00 0.00 C ATOM 956 CD LYS A 61 16.843 7.677 0.153 1.00 0.00 C ATOM 957 CE LYS A 61 15.966 8.556 1.031 1.00 0.00 C ATOM 958 NZ LYS A 61 15.564 9.810 0.334 1.00 0.00 N ATOM 0 H LYS A 61 14.872 4.398 -1.632 1.00 0.00 H new ATOM 0 HA LYS A 61 17.626 3.872 -1.329 1.00 0.00 H new ATOM 0 HB2 LYS A 61 17.884 6.214 -1.649 1.00 0.00 H new ATOM 0 HB3 LYS A 61 16.489 5.757 -2.607 1.00 0.00 H new ATOM 0 HG2 LYS A 61 15.600 7.604 -1.595 1.00 0.00 H new ATOM 0 HG3 LYS A 61 15.179 6.426 -0.368 1.00 0.00 H new ATOM 0 HD2 LYS A 61 17.397 6.976 0.777 1.00 0.00 H new ATOM 0 HD3 LYS A 61 17.578 8.295 -0.363 1.00 0.00 H new ATOM 0 HE2 LYS A 61 15.075 8.002 1.325 1.00 0.00 H new ATOM 0 HE3 LYS A 61 16.502 8.805 1.947 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 14.967 10.382 0.965 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 16.414 10.351 0.076 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 15.030 9.573 -0.526 1.00 0.00 H new ATOM 972 N MET A 62 16.037 4.535 1.385 1.00 0.00 N ATOM 973 CA MET A 62 16.152 4.663 2.833 1.00 0.00 C ATOM 974 C MET A 62 15.392 3.545 3.540 1.00 0.00 C ATOM 975 O MET A 62 14.231 3.694 3.920 1.00 0.00 O ATOM 976 CB MET A 62 15.621 6.023 3.290 1.00 0.00 C ATOM 977 CG MET A 62 15.933 6.341 4.744 1.00 0.00 C ATOM 978 SD MET A 62 16.118 8.109 5.044 1.00 0.00 S ATOM 979 CE MET A 62 17.897 8.238 5.217 1.00 0.00 C ATOM 0 H MET A 62 15.091 4.353 1.051 1.00 0.00 H new ATOM 0 HA MET A 62 17.207 4.585 3.096 1.00 0.00 H new ATOM 0 HB2 MET A 62 16.047 6.801 2.657 1.00 0.00 H new ATOM 0 HB3 MET A 62 14.541 6.050 3.145 1.00 0.00 H new ATOM 0 HG2 MET A 62 15.136 5.951 5.376 1.00 0.00 H new ATOM 0 HG3 MET A 62 16.850 5.829 5.035 1.00 0.00 H new ATOM 0 HE1 MET A 62 18.170 9.276 5.407 1.00 0.00 H new ATOM 0 HE2 MET A 62 18.228 7.618 6.050 1.00 0.00 H new ATOM 0 HE3 MET A 62 18.377 7.899 4.299 1.00 0.00 H new ATOM 989 N PRO A 63 16.061 2.396 3.721 1.00 0.00 N ATOM 990 CA PRO A 63 15.468 1.231 4.383 1.00 0.00 C ATOM 991 C PRO A 63 15.257 1.457 5.876 1.00 0.00 C ATOM 992 O PRO A 63 15.943 2.270 6.494 1.00 0.00 O ATOM 993 CB PRO A 63 16.502 0.126 4.150 1.00 0.00 C ATOM 994 CG PRO A 63 17.793 0.848 3.967 1.00 0.00 C ATOM 995 CD PRO A 63 17.448 2.148 3.294 1.00 0.00 C ATOM 0 HA PRO A 63 14.479 0.998 3.989 1.00 0.00 H new ATOM 0 HB2 PRO A 63 16.548 -0.558 4.997 1.00 0.00 H new ATOM 0 HB3 PRO A 63 16.254 -0.470 3.272 1.00 0.00 H new ATOM 0 HG2 PRO A 63 18.282 1.022 4.925 1.00 0.00 H new ATOM 0 HG3 PRO A 63 18.484 0.265 3.358 1.00 0.00 H new ATOM 0 HD2 PRO A 63 18.115 2.952 3.607 1.00 0.00 H new ATOM 0 HD3 PRO A 63 17.527 2.072 2.210 1.00 0.00 H new ATOM 1003 N GLY A 64 14.303 0.731 6.451 1.00 0.00 N ATOM 1004 CA GLY A 64 14.020 0.868 7.868 1.00 0.00 C ATOM 1005 C GLY A 64 13.089 2.028 8.164 1.00 0.00 C ATOM 1006 O GLY A 64 12.214 1.926 9.024 1.00 0.00 O ATOM 0 H GLY A 64 13.721 0.051 5.961 1.00 0.00 H new ATOM 0 HA2 GLY A 64 13.574 -0.055 8.237 1.00 0.00 H new ATOM 0 HA3 GLY A 64 14.955 1.009 8.410 1.00 0.00 H new ATOM 1010 N ARG A 65 13.280 3.133 7.452 1.00 0.00 N ATOM 1011 CA ARG A 65 12.453 4.318 7.645 1.00 0.00 C ATOM 1012 C ARG A 65 11.122 4.178 6.911 1.00 0.00 C ATOM 1013 O ARG A 65 11.090 3.996 5.695 1.00 0.00 O ATOM 1014 CB ARG A 65 13.189 5.566 7.153 1.00 0.00 C ATOM 1015 CG ARG A 65 12.519 6.868 7.560 1.00 0.00 C ATOM 1016 CD ARG A 65 12.785 7.971 6.547 1.00 0.00 C ATOM 1017 NE ARG A 65 12.632 9.300 7.133 1.00 0.00 N ATOM 1018 CZ ARG A 65 13.571 9.895 7.861 1.00 0.00 C ATOM 1019 NH1 ARG A 65 14.723 9.281 8.092 1.00 0.00 N ATOM 1020 NH2 ARG A 65 13.357 11.106 8.360 1.00 0.00 N ATOM 0 H ARG A 65 14.000 3.233 6.736 1.00 0.00 H new ATOM 0 HA ARG A 65 12.252 4.419 8.711 1.00 0.00 H new ATOM 0 HB2 ARG A 65 14.207 5.554 7.542 1.00 0.00 H new ATOM 0 HB3 ARG A 65 13.263 5.529 6.066 1.00 0.00 H new ATOM 0 HG2 ARG A 65 11.445 6.711 7.655 1.00 0.00 H new ATOM 0 HG3 ARG A 65 12.885 7.176 8.540 1.00 0.00 H new ATOM 0 HD2 ARG A 65 13.795 7.864 6.151 1.00 0.00 H new ATOM 0 HD3 ARG A 65 12.099 7.864 5.706 1.00 0.00 H new ATOM 0 HE ARG A 65 11.756 9.799 6.975 1.00 0.00 H new ATOM 0 HH11 ARG A 65 14.890 8.350 7.711 1.00 0.00 H new ATOM 0 HH12 ARG A 65 15.442 9.740 8.651 1.00 0.00 H new ATOM 0 HH21 ARG A 65 12.471 11.581 8.185 1.00 0.00 H new ATOM 0 HH22 ARG A 65 14.078 11.562 8.919 1.00 0.00 H new ATOM 1034 N GLU A 66 10.027 4.263 7.661 1.00 0.00 N ATOM 1035 CA GLU A 66 8.694 4.143 7.081 1.00 0.00 C ATOM 1036 C GLU A 66 7.907 5.438 7.258 1.00 0.00 C ATOM 1037 O GLU A 66 8.036 6.122 8.274 1.00 0.00 O ATOM 1038 CB GLU A 66 7.937 2.980 7.724 1.00 0.00 C ATOM 1039 CG GLU A 66 7.521 3.245 9.162 1.00 0.00 C ATOM 1040 CD GLU A 66 8.673 3.102 10.138 1.00 0.00 C ATOM 1041 OE1 GLU A 66 9.443 2.128 10.007 1.00 0.00 O ATOM 1042 OE2 GLU A 66 8.803 3.963 11.032 1.00 0.00 O ATOM 0 H GLU A 66 10.037 4.414 8.670 1.00 0.00 H new ATOM 0 HA GLU A 66 8.805 3.948 6.014 1.00 0.00 H new ATOM 0 HB2 GLU A 66 7.048 2.764 7.131 1.00 0.00 H new ATOM 0 HB3 GLU A 66 8.564 2.089 7.694 1.00 0.00 H new ATOM 0 HG2 GLU A 66 7.108 4.251 9.237 1.00 0.00 H new ATOM 0 HG3 GLU A 66 6.726 2.553 9.440 1.00 0.00 H new ATOM 1049 N ILE A 67 7.091 5.768 6.262 1.00 0.00 N ATOM 1050 CA ILE A 67 6.282 6.980 6.308 1.00 0.00 C ATOM 1051 C ILE A 67 4.810 6.650 6.529 1.00 0.00 C ATOM 1052 O ILE A 67 4.179 5.998 5.698 1.00 0.00 O ATOM 1053 CB ILE A 67 6.423 7.800 5.012 1.00 0.00 C ATOM 1054 CG1 ILE A 67 7.881 8.215 4.801 1.00 0.00 C ATOM 1055 CG2 ILE A 67 5.520 9.024 5.058 1.00 0.00 C ATOM 1056 CD1 ILE A 67 8.717 7.157 4.116 1.00 0.00 C ATOM 0 H ILE A 67 6.973 5.213 5.414 1.00 0.00 H new ATOM 0 HA ILE A 67 6.649 7.573 7.146 1.00 0.00 H new ATOM 0 HB ILE A 67 6.116 7.178 4.171 1.00 0.00 H new ATOM 0 HG12 ILE A 67 7.908 9.129 4.207 1.00 0.00 H new ATOM 0 HG13 ILE A 67 8.327 8.450 5.767 1.00 0.00 H new ATOM 0 HG21 ILE A 67 5.631 9.593 4.135 1.00 0.00 H new ATOM 0 HG22 ILE A 67 4.483 8.707 5.166 1.00 0.00 H new ATOM 0 HG23 ILE A 67 5.798 9.650 5.906 1.00 0.00 H new ATOM 0 HD11 ILE A 67 9.738 7.519 3.999 1.00 0.00 H new ATOM 0 HD12 ILE A 67 8.721 6.249 4.719 1.00 0.00 H new ATOM 0 HD13 ILE A 67 8.295 6.939 3.135 1.00 0.00 H new ATOM 1068 N GLU A 68 4.269 7.107 7.654 1.00 0.00 N ATOM 1069 CA GLU A 68 2.870 6.861 7.984 1.00 0.00 C ATOM 1070 C GLU A 68 1.951 7.758 7.160 1.00 0.00 C ATOM 1071 O GLU A 68 1.957 8.980 7.313 1.00 0.00 O ATOM 1072 CB GLU A 68 2.626 7.095 9.476 1.00 0.00 C ATOM 1073 CG GLU A 68 3.337 6.096 10.374 1.00 0.00 C ATOM 1074 CD GLU A 68 2.635 5.903 11.703 1.00 0.00 C ATOM 1075 OE1 GLU A 68 1.390 6.004 11.736 1.00 0.00 O ATOM 1076 OE2 GLU A 68 3.329 5.651 12.711 1.00 0.00 O ATOM 0 H GLU A 68 4.778 7.649 8.352 1.00 0.00 H new ATOM 0 HA GLU A 68 2.644 5.822 7.745 1.00 0.00 H new ATOM 0 HB2 GLU A 68 2.954 8.102 9.736 1.00 0.00 H new ATOM 0 HB3 GLU A 68 1.555 7.048 9.672 1.00 0.00 H new ATOM 0 HG2 GLU A 68 3.405 5.137 9.861 1.00 0.00 H new ATOM 0 HG3 GLU A 68 4.357 6.436 10.552 1.00 0.00 H new ATOM 1083 N LEU A 69 1.163 7.143 6.285 1.00 0.00 N ATOM 1084 CA LEU A 69 0.237 7.884 5.436 1.00 0.00 C ATOM 1085 C LEU A 69 -0.966 8.371 6.236 1.00 0.00 C ATOM 1086 O LEU A 69 -1.885 7.604 6.522 1.00 0.00 O ATOM 1087 CB LEU A 69 -0.230 7.009 4.272 1.00 0.00 C ATOM 1088 CG LEU A 69 0.872 6.404 3.402 1.00 0.00 C ATOM 1089 CD1 LEU A 69 0.308 5.307 2.511 1.00 0.00 C ATOM 1090 CD2 LEU A 69 1.541 7.483 2.563 1.00 0.00 C ATOM 0 H LEU A 69 1.147 6.133 6.145 1.00 0.00 H new ATOM 0 HA LEU A 69 0.762 8.754 5.041 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -0.835 6.196 4.675 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -0.882 7.606 3.634 1.00 0.00 H new ATOM 0 HG LEU A 69 1.623 5.962 4.056 1.00 0.00 H new ATOM 0 HD11 LEU A 69 1.107 4.888 1.899 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -0.124 4.521 3.131 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -0.464 5.724 1.864 1.00 0.00 H new ATOM 0 HD21 LEU A 69 2.323 7.035 1.950 1.00 0.00 H new ATOM 0 HD22 LEU A 69 0.799 7.954 1.918 1.00 0.00 H new ATOM 0 HD23 LEU A 69 1.981 8.234 3.219 1.00 0.00 H new ATOM 1102 N GLU A 70 -0.954 9.652 6.594 1.00 0.00 N ATOM 1103 CA GLU A 70 -2.046 10.241 7.360 1.00 0.00 C ATOM 1104 C GLU A 70 -3.270 10.466 6.477 1.00 0.00 C ATOM 1105 O GLU A 70 -4.363 9.990 6.781 1.00 0.00 O ATOM 1106 CB GLU A 70 -1.603 11.565 7.985 1.00 0.00 C ATOM 1107 CG GLU A 70 -0.200 11.525 8.567 1.00 0.00 C ATOM 1108 CD GLU A 70 -0.010 12.512 9.701 1.00 0.00 C ATOM 1109 OE1 GLU A 70 -0.794 12.461 10.671 1.00 0.00 O ATOM 1110 OE2 GLU A 70 0.925 13.337 9.618 1.00 0.00 O ATOM 0 H GLU A 70 -0.201 10.301 6.366 1.00 0.00 H new ATOM 0 HA GLU A 70 -2.316 9.545 8.154 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -1.651 12.348 7.228 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -2.306 11.839 8.772 1.00 0.00 H new ATOM 0 HG2 GLU A 70 0.011 10.518 8.928 1.00 0.00 H new ATOM 0 HG3 GLU A 70 0.522 11.739 7.779 1.00 0.00 H new ATOM 1117 N ASN A 71 -3.077 11.197 5.384 1.00 0.00 N ATOM 1118 CA ASN A 71 -4.166 11.487 4.457 1.00 0.00 C ATOM 1119 C ASN A 71 -4.571 10.236 3.684 1.00 0.00 C ATOM 1120 O ASN A 71 -3.721 9.509 3.170 1.00 0.00 O ATOM 1121 CB ASN A 71 -3.752 12.591 3.482 1.00 0.00 C ATOM 1122 CG ASN A 71 -4.082 13.977 4.003 1.00 0.00 C ATOM 1123 OD1 ASN A 71 -3.594 14.389 5.054 1.00 0.00 O ATOM 1124 ND2 ASN A 71 -4.916 14.702 3.266 1.00 0.00 N ATOM 0 H ASN A 71 -2.178 11.599 5.118 1.00 0.00 H new ATOM 0 HA ASN A 71 -5.024 11.826 5.038 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -2.681 12.522 3.293 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -4.254 12.436 2.527 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -5.176 15.642 3.565 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -5.297 14.319 2.401 1.00 0.00 H new ATOM 1131 N ASP A 72 -5.874 9.991 3.607 1.00 0.00 N ATOM 1132 CA ASP A 72 -6.393 8.829 2.895 1.00 0.00 C ATOM 1133 C ASP A 72 -6.867 9.214 1.497 1.00 0.00 C ATOM 1134 O ASP A 72 -6.819 8.406 0.569 1.00 0.00 O ATOM 1135 CB ASP A 72 -7.543 8.195 3.680 1.00 0.00 C ATOM 1136 CG ASP A 72 -7.282 8.175 5.174 1.00 0.00 C ATOM 1137 OD1 ASP A 72 -6.339 7.476 5.602 1.00 0.00 O ATOM 1138 OD2 ASP A 72 -8.020 8.857 5.914 1.00 0.00 O ATOM 0 H ASP A 72 -6.591 10.582 4.029 1.00 0.00 H new ATOM 0 HA ASP A 72 -5.585 8.103 2.798 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -8.462 8.747 3.482 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -7.701 7.176 3.328 1.00 0.00 H new ATOM 1143 N LEU A 73 -7.324 10.453 1.354 1.00 0.00 N ATOM 1144 CA LEU A 73 -7.808 10.946 0.069 1.00 0.00 C ATOM 1145 C LEU A 73 -6.655 11.468 -0.783 1.00 0.00 C ATOM 1146 O LEU A 73 -6.813 12.429 -1.535 1.00 0.00 O ATOM 1147 CB LEU A 73 -8.842 12.054 0.282 1.00 0.00 C ATOM 1148 CG LEU A 73 -10.206 11.606 0.809 1.00 0.00 C ATOM 1149 CD1 LEU A 73 -11.047 12.811 1.202 1.00 0.00 C ATOM 1150 CD2 LEU A 73 -10.929 10.765 -0.232 1.00 0.00 C ATOM 0 H LEU A 73 -7.370 11.135 2.112 1.00 0.00 H new ATOM 0 HA LEU A 73 -8.278 10.115 -0.458 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -8.427 12.782 0.979 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -8.993 12.570 -0.666 1.00 0.00 H new ATOM 0 HG LEU A 73 -10.049 10.993 1.697 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -12.014 12.474 1.575 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -10.534 13.374 1.982 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -11.196 13.450 0.332 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -11.898 10.455 0.160 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -11.075 11.354 -1.138 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -10.333 9.883 -0.465 1.00 0.00 H new ATOM 1162 N GLN A 74 -5.498 10.826 -0.660 1.00 0.00 N ATOM 1163 CA GLN A 74 -4.320 11.225 -1.421 1.00 0.00 C ATOM 1164 C GLN A 74 -3.690 10.024 -2.119 1.00 0.00 C ATOM 1165 O GLN A 74 -3.589 8.932 -1.559 1.00 0.00 O ATOM 1166 CB GLN A 74 -3.294 11.891 -0.501 1.00 0.00 C ATOM 1167 CG GLN A 74 -3.620 13.339 -0.174 1.00 0.00 C ATOM 1168 CD GLN A 74 -3.724 14.208 -1.412 1.00 0.00 C ATOM 1169 OE1 GLN A 74 -4.940 14.631 -1.739 1.00 0.00 O flip ATOM 1170 NE2 GLN A 74 -2.723 14.495 -2.069 1.00 0.00 N flip ATOM 0 H GLN A 74 -5.351 10.028 -0.041 1.00 0.00 H new ATOM 0 HA GLN A 74 -4.635 11.940 -2.181 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -3.228 11.323 0.427 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -2.312 11.846 -0.972 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -4.561 13.381 0.374 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -2.850 13.741 0.484 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -1.808 14.148 -1.782 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -2.809 15.079 -2.901 1.00 0.00 H new ATOM 1179 N PRO A 75 -3.257 10.227 -3.372 1.00 0.00 N ATOM 1180 CA PRO A 75 -2.629 9.172 -4.173 1.00 0.00 C ATOM 1181 C PRO A 75 -1.247 8.793 -3.653 1.00 0.00 C ATOM 1182 O PRO A 75 -0.534 9.626 -3.092 1.00 0.00 O ATOM 1183 CB PRO A 75 -2.522 9.801 -5.565 1.00 0.00 C ATOM 1184 CG PRO A 75 -2.489 11.269 -5.316 1.00 0.00 C ATOM 1185 CD PRO A 75 -3.345 11.503 -4.102 1.00 0.00 C ATOM 0 HA PRO A 75 -3.204 8.246 -4.150 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -1.623 9.467 -6.082 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -3.371 9.525 -6.191 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -1.469 11.613 -5.146 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -2.872 11.819 -6.175 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -2.974 12.335 -3.503 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -4.373 11.740 -4.375 1.00 0.00 H new ATOM 1193 N LEU A 76 -0.875 7.532 -3.841 1.00 0.00 N ATOM 1194 CA LEU A 76 0.423 7.042 -3.391 1.00 0.00 C ATOM 1195 C LEU A 76 1.551 7.926 -3.914 1.00 0.00 C ATOM 1196 O LEU A 76 2.554 8.136 -3.233 1.00 0.00 O ATOM 1197 CB LEU A 76 0.634 5.599 -3.853 1.00 0.00 C ATOM 1198 CG LEU A 76 -0.082 4.522 -3.039 1.00 0.00 C ATOM 1199 CD1 LEU A 76 0.508 4.429 -1.640 1.00 0.00 C ATOM 1200 CD2 LEU A 76 -1.575 4.808 -2.972 1.00 0.00 C ATOM 0 H LEU A 76 -1.454 6.830 -4.302 1.00 0.00 H new ATOM 0 HA LEU A 76 0.437 7.074 -2.302 1.00 0.00 H new ATOM 0 HB2 LEU A 76 0.308 5.519 -4.890 1.00 0.00 H new ATOM 0 HB3 LEU A 76 1.703 5.387 -3.838 1.00 0.00 H new ATOM 0 HG LEU A 76 0.062 3.563 -3.536 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -0.015 3.657 -1.075 1.00 0.00 H new ATOM 0 HD12 LEU A 76 1.566 4.176 -1.707 1.00 0.00 H new ATOM 0 HD13 LEU A 76 0.396 5.388 -1.133 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -2.069 4.031 -2.389 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -1.739 5.776 -2.499 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -1.988 4.822 -3.980 1.00 0.00 H new ATOM 1212 N GLN A 77 1.376 8.443 -5.126 1.00 0.00 N ATOM 1213 CA GLN A 77 2.379 9.306 -5.740 1.00 0.00 C ATOM 1214 C GLN A 77 2.651 10.528 -4.869 1.00 0.00 C ATOM 1215 O GLN A 77 3.775 11.028 -4.816 1.00 0.00 O ATOM 1216 CB GLN A 77 1.920 9.747 -7.131 1.00 0.00 C ATOM 1217 CG GLN A 77 2.804 10.817 -7.752 1.00 0.00 C ATOM 1218 CD GLN A 77 2.411 11.142 -9.179 1.00 0.00 C ATOM 1219 OE1 GLN A 77 3.026 10.658 -10.130 1.00 0.00 O ATOM 1220 NE2 GLN A 77 1.381 11.965 -9.337 1.00 0.00 N ATOM 0 H GLN A 77 0.550 8.280 -5.702 1.00 0.00 H new ATOM 0 HA GLN A 77 3.304 8.737 -5.835 1.00 0.00 H new ATOM 0 HB2 GLN A 77 1.898 8.879 -7.789 1.00 0.00 H new ATOM 0 HB3 GLN A 77 0.899 10.124 -7.065 1.00 0.00 H new ATOM 0 HG2 GLN A 77 2.749 11.723 -7.149 1.00 0.00 H new ATOM 0 HG3 GLN A 77 3.841 10.483 -7.732 1.00 0.00 H new ATOM 0 HE21 GLN A 77 0.900 12.343 -8.521 1.00 0.00 H new ATOM 0 HE22 GLN A 77 1.071 12.219 -10.275 1.00 0.00 H new ATOM 1229 N PHE A 78 1.615 11.006 -4.188 1.00 0.00 N ATOM 1230 CA PHE A 78 1.742 12.171 -3.321 1.00 0.00 C ATOM 1231 C PHE A 78 2.828 11.953 -2.272 1.00 0.00 C ATOM 1232 O PHE A 78 3.597 12.862 -1.960 1.00 0.00 O ATOM 1233 CB PHE A 78 0.407 12.471 -2.635 1.00 0.00 C ATOM 1234 CG PHE A 78 0.493 13.562 -1.607 1.00 0.00 C ATOM 1235 CD1 PHE A 78 0.480 14.894 -1.988 1.00 0.00 C ATOM 1236 CD2 PHE A 78 0.587 13.256 -0.259 1.00 0.00 C ATOM 1237 CE1 PHE A 78 0.560 15.900 -1.043 1.00 0.00 C ATOM 1238 CE2 PHE A 78 0.666 14.257 0.690 1.00 0.00 C ATOM 1239 CZ PHE A 78 0.652 15.581 0.298 1.00 0.00 C ATOM 0 H PHE A 78 0.678 10.604 -4.220 1.00 0.00 H new ATOM 0 HA PHE A 78 2.025 13.023 -3.939 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -0.326 12.752 -3.391 1.00 0.00 H new ATOM 0 HB3 PHE A 78 0.040 11.562 -2.158 1.00 0.00 H new ATOM 0 HD1 PHE A 78 0.407 15.149 -3.035 1.00 0.00 H new ATOM 0 HD2 PHE A 78 0.599 12.222 0.054 1.00 0.00 H new ATOM 0 HE1 PHE A 78 0.551 16.935 -1.353 1.00 0.00 H new ATOM 0 HE2 PHE A 78 0.739 14.004 1.737 1.00 0.00 H new ATOM 0 HZ PHE A 78 0.713 16.365 1.038 1.00 0.00 H new ATOM 1249 N TYR A 79 2.883 10.741 -1.730 1.00 0.00 N ATOM 1250 CA TYR A 79 3.872 10.402 -0.714 1.00 0.00 C ATOM 1251 C TYR A 79 5.174 9.934 -1.356 1.00 0.00 C ATOM 1252 O TYR A 79 5.941 9.183 -0.753 1.00 0.00 O ATOM 1253 CB TYR A 79 3.328 9.316 0.215 1.00 0.00 C ATOM 1254 CG TYR A 79 2.179 9.779 1.081 1.00 0.00 C ATOM 1255 CD1 TYR A 79 2.409 10.376 2.315 1.00 0.00 C ATOM 1256 CD2 TYR A 79 0.862 9.621 0.666 1.00 0.00 C ATOM 1257 CE1 TYR A 79 1.362 10.800 3.110 1.00 0.00 C ATOM 1258 CE2 TYR A 79 -0.191 10.044 1.454 1.00 0.00 C ATOM 1259 CZ TYR A 79 0.064 10.632 2.675 1.00 0.00 C ATOM 1260 OH TYR A 79 -0.982 11.055 3.463 1.00 0.00 O ATOM 0 H TYR A 79 2.254 9.977 -1.978 1.00 0.00 H new ATOM 0 HA TYR A 79 4.078 11.299 -0.130 1.00 0.00 H new ATOM 0 HB2 TYR A 79 3.000 8.467 -0.385 1.00 0.00 H new ATOM 0 HB3 TYR A 79 4.135 8.961 0.856 1.00 0.00 H new ATOM 0 HD1 TYR A 79 3.424 10.511 2.658 1.00 0.00 H new ATOM 0 HD2 TYR A 79 0.658 9.160 -0.289 1.00 0.00 H new ATOM 0 HE1 TYR A 79 1.559 11.261 4.067 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -1.208 9.915 1.116 1.00 0.00 H new ATOM 0 HH TYR A 79 -1.774 10.509 3.276 1.00 0.00 H new ATOM 1270 N SER A 80 5.417 10.383 -2.583 1.00 0.00 N ATOM 1271 CA SER A 80 6.625 10.008 -3.309 1.00 0.00 C ATOM 1272 C SER A 80 6.769 8.491 -3.376 1.00 0.00 C ATOM 1273 O SER A 80 7.850 7.948 -3.147 1.00 0.00 O ATOM 1274 CB SER A 80 7.858 10.620 -2.642 1.00 0.00 C ATOM 1275 OG SER A 80 7.860 12.032 -2.771 1.00 0.00 O ATOM 0 H SER A 80 4.794 11.007 -3.095 1.00 0.00 H new ATOM 0 HA SER A 80 6.543 10.393 -4.325 1.00 0.00 H new ATOM 0 HB2 SER A 80 7.877 10.348 -1.587 1.00 0.00 H new ATOM 0 HB3 SER A 80 8.761 10.209 -3.093 1.00 0.00 H new ATOM 0 HG SER A 80 8.657 12.399 -2.335 1.00 0.00 H new ATOM 1281 N VAL A 81 5.671 7.811 -3.691 1.00 0.00 N ATOM 1282 CA VAL A 81 5.674 6.357 -3.790 1.00 0.00 C ATOM 1283 C VAL A 81 5.777 5.904 -5.242 1.00 0.00 C ATOM 1284 O VAL A 81 4.972 6.300 -6.084 1.00 0.00 O ATOM 1285 CB VAL A 81 4.405 5.749 -3.163 1.00 0.00 C ATOM 1286 CG1 VAL A 81 4.395 4.238 -3.336 1.00 0.00 C ATOM 1287 CG2 VAL A 81 4.304 6.126 -1.693 1.00 0.00 C ATOM 0 H VAL A 81 4.768 8.245 -3.882 1.00 0.00 H new ATOM 0 HA VAL A 81 6.547 6.005 -3.240 1.00 0.00 H new ATOM 0 HB VAL A 81 3.535 6.155 -3.679 1.00 0.00 H new ATOM 0 HG11 VAL A 81 3.491 3.826 -2.887 1.00 0.00 H new ATOM 0 HG12 VAL A 81 4.416 3.993 -4.398 1.00 0.00 H new ATOM 0 HG13 VAL A 81 5.270 3.810 -2.847 1.00 0.00 H new ATOM 0 HG21 VAL A 81 3.402 5.688 -1.266 1.00 0.00 H new ATOM 0 HG22 VAL A 81 5.177 5.750 -1.160 1.00 0.00 H new ATOM 0 HG23 VAL A 81 4.261 7.211 -1.598 1.00 0.00 H new ATOM 1297 N GLU A 82 6.774 5.072 -5.527 1.00 0.00 N ATOM 1298 CA GLU A 82 6.982 4.566 -6.879 1.00 0.00 C ATOM 1299 C GLU A 82 7.302 3.074 -6.858 1.00 0.00 C ATOM 1300 O GLU A 82 7.756 2.540 -5.847 1.00 0.00 O ATOM 1301 CB GLU A 82 8.115 5.332 -7.565 1.00 0.00 C ATOM 1302 CG GLU A 82 7.732 6.743 -7.979 1.00 0.00 C ATOM 1303 CD GLU A 82 8.939 7.622 -8.242 1.00 0.00 C ATOM 1304 OE1 GLU A 82 9.693 7.327 -9.193 1.00 0.00 O ATOM 1305 OE2 GLU A 82 9.130 8.605 -7.495 1.00 0.00 O ATOM 0 H GLU A 82 7.449 4.735 -4.841 1.00 0.00 H new ATOM 0 HA GLU A 82 6.060 4.715 -7.441 1.00 0.00 H new ATOM 0 HB2 GLU A 82 8.970 5.380 -6.891 1.00 0.00 H new ATOM 0 HB3 GLU A 82 8.435 4.778 -8.447 1.00 0.00 H new ATOM 0 HG2 GLU A 82 7.116 6.699 -8.877 1.00 0.00 H new ATOM 0 HG3 GLU A 82 7.122 7.194 -7.196 1.00 0.00 H new ATOM 1312 N ASN A 83 7.061 2.407 -7.982 1.00 0.00 N ATOM 1313 CA ASN A 83 7.323 0.976 -8.094 1.00 0.00 C ATOM 1314 C ASN A 83 8.620 0.603 -7.383 1.00 0.00 C ATOM 1315 O ASN A 83 9.597 1.351 -7.418 1.00 0.00 O ATOM 1316 CB ASN A 83 7.397 0.563 -9.565 1.00 0.00 C ATOM 1317 CG ASN A 83 8.213 1.534 -10.397 1.00 0.00 C ATOM 1318 OD1 ASN A 83 8.872 2.425 -9.863 1.00 0.00 O ATOM 1319 ND2 ASN A 83 8.171 1.364 -11.714 1.00 0.00 N ATOM 0 H ASN A 83 6.685 2.834 -8.828 1.00 0.00 H new ATOM 0 HA ASN A 83 6.501 0.443 -7.615 1.00 0.00 H new ATOM 0 HB2 ASN A 83 7.835 -0.432 -9.639 1.00 0.00 H new ATOM 0 HB3 ASN A 83 6.388 0.498 -9.973 1.00 0.00 H new ATOM 0 HD21 ASN A 83 8.699 1.986 -12.326 1.00 0.00 H new ATOM 0 HD22 ASN A 83 7.611 0.611 -12.113 1.00 0.00 H new ATOM 1326 N GLY A 84 8.622 -0.559 -6.738 1.00 0.00 N ATOM 1327 CA GLY A 84 9.804 -1.012 -6.028 1.00 0.00 C ATOM 1328 C GLY A 84 9.679 -0.844 -4.527 1.00 0.00 C ATOM 1329 O GLY A 84 10.051 -1.734 -3.762 1.00 0.00 O ATOM 0 H GLY A 84 7.826 -1.195 -6.694 1.00 0.00 H new ATOM 0 HA2 GLY A 84 9.983 -2.062 -6.259 1.00 0.00 H new ATOM 0 HA3 GLY A 84 10.672 -0.456 -6.382 1.00 0.00 H new ATOM 1333 N ASP A 85 9.156 0.301 -4.103 1.00 0.00 N ATOM 1334 CA ASP A 85 8.983 0.584 -2.683 1.00 0.00 C ATOM 1335 C ASP A 85 8.290 -0.578 -1.978 1.00 0.00 C ATOM 1336 O ASP A 85 7.906 -1.562 -2.612 1.00 0.00 O ATOM 1337 CB ASP A 85 8.176 1.868 -2.491 1.00 0.00 C ATOM 1338 CG ASP A 85 9.013 3.115 -2.698 1.00 0.00 C ATOM 1339 OD1 ASP A 85 9.461 3.347 -3.840 1.00 0.00 O ATOM 1340 OD2 ASP A 85 9.221 3.859 -1.717 1.00 0.00 O ATOM 0 H ASP A 85 8.844 1.049 -4.723 1.00 0.00 H new ATOM 0 HA ASP A 85 9.971 0.716 -2.241 1.00 0.00 H new ATOM 0 HB2 ASP A 85 7.339 1.876 -3.190 1.00 0.00 H new ATOM 0 HB3 ASP A 85 7.753 1.881 -1.487 1.00 0.00 H new ATOM 1345 N CYS A 86 8.133 -0.457 -0.664 1.00 0.00 N ATOM 1346 CA CYS A 86 7.487 -1.499 0.127 1.00 0.00 C ATOM 1347 C CYS A 86 6.230 -0.965 0.805 1.00 0.00 C ATOM 1348 O CYS A 86 6.150 0.216 1.149 1.00 0.00 O ATOM 1349 CB CYS A 86 8.456 -2.044 1.178 1.00 0.00 C ATOM 1350 SG CYS A 86 9.964 -2.764 0.489 1.00 0.00 S ATOM 0 H CYS A 86 8.444 0.351 -0.125 1.00 0.00 H new ATOM 0 HA CYS A 86 7.200 -2.307 -0.546 1.00 0.00 H new ATOM 0 HB2 CYS A 86 8.729 -1.237 1.858 1.00 0.00 H new ATOM 0 HB3 CYS A 86 7.943 -2.801 1.772 1.00 0.00 H new ATOM 0 HG CYS A 86 10.720 -3.195 1.455 1.00 0.00 H new ATOM 1356 N LEU A 87 5.248 -1.840 0.993 1.00 0.00 N ATOM 1357 CA LEU A 87 3.993 -1.457 1.629 1.00 0.00 C ATOM 1358 C LEU A 87 3.842 -2.132 2.988 1.00 0.00 C ATOM 1359 O LEU A 87 3.947 -3.354 3.101 1.00 0.00 O ATOM 1360 CB LEU A 87 2.810 -1.824 0.730 1.00 0.00 C ATOM 1361 CG LEU A 87 2.558 -0.896 -0.458 1.00 0.00 C ATOM 1362 CD1 LEU A 87 1.420 -1.427 -1.317 1.00 0.00 C ATOM 1363 CD2 LEU A 87 2.252 0.515 0.022 1.00 0.00 C ATOM 0 H LEU A 87 5.297 -2.820 0.714 1.00 0.00 H new ATOM 0 HA LEU A 87 4.006 -0.378 1.780 1.00 0.00 H new ATOM 0 HB2 LEU A 87 2.967 -2.833 0.350 1.00 0.00 H new ATOM 0 HB3 LEU A 87 1.909 -1.851 1.342 1.00 0.00 H new ATOM 0 HG LEU A 87 3.462 -0.863 -1.067 1.00 0.00 H new ATOM 0 HD11 LEU A 87 1.254 -0.754 -2.158 1.00 0.00 H new ATOM 0 HD12 LEU A 87 1.678 -2.418 -1.691 1.00 0.00 H new ATOM 0 HD13 LEU A 87 0.511 -1.490 -0.718 1.00 0.00 H new ATOM 0 HD21 LEU A 87 2.075 1.161 -0.838 1.00 0.00 H new ATOM 0 HD22 LEU A 87 1.364 0.500 0.653 1.00 0.00 H new ATOM 0 HD23 LEU A 87 3.098 0.896 0.595 1.00 0.00 H new ATOM 1375 N LEU A 88 3.593 -1.330 4.017 1.00 0.00 N ATOM 1376 CA LEU A 88 3.425 -1.850 5.370 1.00 0.00 C ATOM 1377 C LEU A 88 2.032 -1.536 5.905 1.00 0.00 C ATOM 1378 O LEU A 88 1.622 -0.376 5.956 1.00 0.00 O ATOM 1379 CB LEU A 88 4.487 -1.260 6.300 1.00 0.00 C ATOM 1380 CG LEU A 88 5.941 -1.462 5.873 1.00 0.00 C ATOM 1381 CD1 LEU A 88 6.847 -0.460 6.572 1.00 0.00 C ATOM 1382 CD2 LEU A 88 6.390 -2.885 6.167 1.00 0.00 C ATOM 0 H LEU A 88 3.503 -0.317 3.941 1.00 0.00 H new ATOM 0 HA LEU A 88 3.544 -2.933 5.334 1.00 0.00 H new ATOM 0 HB2 LEU A 88 4.303 -0.190 6.396 1.00 0.00 H new ATOM 0 HB3 LEU A 88 4.356 -1.696 7.290 1.00 0.00 H new ATOM 0 HG LEU A 88 6.010 -1.295 4.798 1.00 0.00 H new ATOM 0 HD11 LEU A 88 7.878 -0.619 6.256 1.00 0.00 H new ATOM 0 HD12 LEU A 88 6.539 0.553 6.311 1.00 0.00 H new ATOM 0 HD13 LEU A 88 6.774 -0.594 7.651 1.00 0.00 H new ATOM 0 HD21 LEU A 88 7.427 -3.011 5.857 1.00 0.00 H new ATOM 0 HD22 LEU A 88 6.305 -3.080 7.236 1.00 0.00 H new ATOM 0 HD23 LEU A 88 5.760 -3.586 5.619 1.00 0.00 H new ATOM 1394 N VAL A 89 1.309 -2.576 6.306 1.00 0.00 N ATOM 1395 CA VAL A 89 -0.038 -2.411 6.841 1.00 0.00 C ATOM 1396 C VAL A 89 -0.061 -2.638 8.348 1.00 0.00 C ATOM 1397 O VAL A 89 0.323 -3.702 8.832 1.00 0.00 O ATOM 1398 CB VAL A 89 -1.030 -3.380 6.171 1.00 0.00 C ATOM 1399 CG1 VAL A 89 -2.408 -3.255 6.805 1.00 0.00 C ATOM 1400 CG2 VAL A 89 -1.098 -3.123 4.674 1.00 0.00 C ATOM 0 H VAL A 89 1.633 -3.543 6.271 1.00 0.00 H new ATOM 0 HA VAL A 89 -0.342 -1.386 6.626 1.00 0.00 H new ATOM 0 HB VAL A 89 -0.676 -4.399 6.325 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -3.096 -3.947 6.319 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -2.343 -3.493 7.867 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -2.773 -2.235 6.684 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -1.804 -3.817 4.217 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -1.428 -2.100 4.495 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -0.111 -3.268 4.235 1.00 0.00 H new ATOM 1410 N ARG A 90 -0.516 -1.630 9.085 1.00 0.00 N ATOM 1411 CA ARG A 90 -0.590 -1.718 10.539 1.00 0.00 C ATOM 1412 C ARG A 90 -1.927 -1.189 11.049 1.00 0.00 C ATOM 1413 O ARG A 90 -2.503 -0.268 10.469 1.00 0.00 O ATOM 1414 CB ARG A 90 0.558 -0.935 11.178 1.00 0.00 C ATOM 1415 CG ARG A 90 0.858 -1.351 12.608 1.00 0.00 C ATOM 1416 CD ARG A 90 1.460 -0.206 13.407 1.00 0.00 C ATOM 1417 NE ARG A 90 0.437 0.701 13.920 1.00 0.00 N ATOM 1418 CZ ARG A 90 0.710 1.864 14.502 1.00 0.00 C ATOM 1419 NH1 ARG A 90 1.968 2.258 14.645 1.00 0.00 N ATOM 1420 NH2 ARG A 90 -0.276 2.634 14.943 1.00 0.00 N ATOM 0 H ARG A 90 -0.839 -0.743 8.699 1.00 0.00 H new ATOM 0 HA ARG A 90 -0.504 -2.768 10.819 1.00 0.00 H new ATOM 0 HB2 ARG A 90 1.456 -1.066 10.575 1.00 0.00 H new ATOM 0 HB3 ARG A 90 0.315 0.128 11.161 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -0.059 -1.689 13.090 1.00 0.00 H new ATOM 0 HG3 ARG A 90 1.547 -2.196 12.605 1.00 0.00 H new ATOM 0 HD2 ARG A 90 2.037 -0.609 14.239 1.00 0.00 H new ATOM 0 HD3 ARG A 90 2.154 0.350 12.777 1.00 0.00 H new ATOM 0 HE ARG A 90 -0.541 0.427 13.826 1.00 0.00 H new ATOM 0 HH11 ARG A 90 2.729 1.668 14.308 1.00 0.00 H new ATOM 0 HH12 ARG A 90 2.175 3.151 15.092 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -1.245 2.334 14.836 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -0.065 3.527 15.390 1.00 0.00 H new ATOM 1434 N TRP A 91 -2.415 -1.778 12.135 1.00 0.00 N ATOM 1435 CA TRP A 91 -3.685 -1.365 12.722 1.00 0.00 C ATOM 1436 C TRP A 91 -3.683 -1.585 14.231 1.00 0.00 C ATOM 1437 O TRP A 91 -3.186 -2.599 14.719 1.00 0.00 O ATOM 1438 CB TRP A 91 -4.840 -2.138 12.083 1.00 0.00 C ATOM 1439 CG TRP A 91 -4.799 -3.609 12.366 1.00 0.00 C ATOM 1440 CD1 TRP A 91 -5.177 -4.232 13.522 1.00 0.00 C ATOM 1441 CD2 TRP A 91 -4.355 -4.641 11.479 1.00 0.00 C ATOM 1442 NE1 TRP A 91 -4.993 -5.589 13.405 1.00 0.00 N ATOM 1443 CE2 TRP A 91 -4.491 -5.865 12.161 1.00 0.00 C ATOM 1444 CE3 TRP A 91 -3.856 -4.649 10.173 1.00 0.00 C ATOM 1445 CZ2 TRP A 91 -4.145 -7.083 11.581 1.00 0.00 C ATOM 1446 CZ3 TRP A 91 -3.514 -5.859 9.599 1.00 0.00 C ATOM 1447 CH2 TRP A 91 -3.660 -7.062 10.302 1.00 0.00 C ATOM 0 H TRP A 91 -1.951 -2.542 12.626 1.00 0.00 H new ATOM 0 HA TRP A 91 -3.818 -0.301 12.529 1.00 0.00 H new ATOM 0 HB2 TRP A 91 -5.784 -1.732 12.446 1.00 0.00 H new ATOM 0 HB3 TRP A 91 -4.819 -1.982 11.004 1.00 0.00 H new ATOM 0 HD1 TRP A 91 -5.563 -3.732 14.398 1.00 0.00 H new ATOM 0 HE1 TRP A 91 -5.197 -6.279 14.128 1.00 0.00 H new ATOM 0 HE3 TRP A 91 -3.740 -3.727 9.623 1.00 0.00 H new ATOM 0 HZ2 TRP A 91 -4.256 -8.011 12.122 1.00 0.00 H new ATOM 0 HZ3 TRP A 91 -3.127 -5.877 8.591 1.00 0.00 H new ATOM 0 HH2 TRP A 91 -3.384 -7.991 9.825 1.00 0.00 H new ATOM 1458 N SER A 92 -4.242 -0.627 14.964 1.00 0.00 N ATOM 1459 CA SER A 92 -4.301 -0.715 16.419 1.00 0.00 C ATOM 1460 C SER A 92 -5.707 -1.081 16.884 1.00 0.00 C ATOM 1461 O SER A 92 -6.697 -0.712 16.254 1.00 0.00 O ATOM 1462 CB SER A 92 -3.873 0.612 17.048 1.00 0.00 C ATOM 1463 OG SER A 92 -4.000 0.572 18.459 1.00 0.00 O ATOM 0 H SER A 92 -4.660 0.218 14.575 1.00 0.00 H new ATOM 0 HA SER A 92 -3.615 -1.499 16.740 1.00 0.00 H new ATOM 0 HB2 SER A 92 -2.839 0.829 16.779 1.00 0.00 H new ATOM 0 HB3 SER A 92 -4.483 1.421 16.648 1.00 0.00 H new ATOM 0 HG SER A 92 -3.719 1.431 18.837 1.00 0.00 H new ATOM 1469 N GLY A 93 -5.785 -1.811 17.993 1.00 0.00 N ATOM 1470 CA GLY A 93 -7.073 -2.216 18.525 1.00 0.00 C ATOM 1471 C GLY A 93 -7.175 -3.716 18.718 1.00 0.00 C ATOM 1472 O GLY A 93 -7.696 -4.439 17.868 1.00 0.00 O ATOM 0 H GLY A 93 -4.979 -2.129 18.532 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -7.241 -1.718 19.480 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -7.862 -1.885 17.849 1.00 0.00 H new ATOM 1476 N PRO A 94 -6.667 -4.205 19.859 1.00 0.00 N ATOM 1477 CA PRO A 94 -6.690 -5.634 20.187 1.00 0.00 C ATOM 1478 C PRO A 94 -8.099 -6.138 20.483 1.00 0.00 C ATOM 1479 O PRO A 94 -8.301 -7.322 20.749 1.00 0.00 O ATOM 1480 CB PRO A 94 -5.816 -5.724 21.440 1.00 0.00 C ATOM 1481 CG PRO A 94 -5.898 -4.371 22.058 1.00 0.00 C ATOM 1482 CD PRO A 94 -6.032 -3.402 20.916 1.00 0.00 C ATOM 0 HA PRO A 94 -6.336 -6.248 19.359 1.00 0.00 H new ATOM 0 HB2 PRO A 94 -6.179 -6.493 22.122 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -4.788 -5.982 21.187 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -6.752 -4.301 22.732 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -5.007 -4.157 22.649 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -6.643 -2.542 21.189 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -5.062 -3.017 20.600 1.00 0.00 H new ATOM 1490 N SER A 95 -9.069 -5.231 20.435 1.00 0.00 N ATOM 1491 CA SER A 95 -10.459 -5.583 20.701 1.00 0.00 C ATOM 1492 C SER A 95 -10.776 -6.979 20.173 1.00 0.00 C ATOM 1493 O SER A 95 -11.073 -7.155 18.991 1.00 0.00 O ATOM 1494 CB SER A 95 -11.399 -4.558 20.063 1.00 0.00 C ATOM 1495 OG SER A 95 -11.449 -3.367 20.828 1.00 0.00 O ATOM 0 H SER A 95 -8.918 -4.247 20.214 1.00 0.00 H new ATOM 0 HA SER A 95 -10.609 -5.579 21.781 1.00 0.00 H new ATOM 0 HB2 SER A 95 -11.062 -4.331 19.052 1.00 0.00 H new ATOM 0 HB3 SER A 95 -12.400 -4.981 19.978 1.00 0.00 H new ATOM 0 HG SER A 95 -12.055 -2.728 20.399 1.00 0.00 H new ATOM 1501 N SER A 96 -10.711 -7.968 21.058 1.00 0.00 N ATOM 1502 CA SER A 96 -10.988 -9.350 20.682 1.00 0.00 C ATOM 1503 C SER A 96 -11.762 -10.068 21.783 1.00 0.00 C ATOM 1504 O SER A 96 -11.343 -10.090 22.939 1.00 0.00 O ATOM 1505 CB SER A 96 -9.682 -10.093 20.393 1.00 0.00 C ATOM 1506 OG SER A 96 -8.896 -10.217 21.565 1.00 0.00 O ATOM 0 H SER A 96 -10.469 -7.839 22.040 1.00 0.00 H new ATOM 0 HA SER A 96 -11.600 -9.340 19.780 1.00 0.00 H new ATOM 0 HB2 SER A 96 -9.904 -11.083 19.994 1.00 0.00 H new ATOM 0 HB3 SER A 96 -9.118 -9.559 19.628 1.00 0.00 H new ATOM 0 HG SER A 96 -9.467 -10.113 22.354 1.00 0.00 H new ATOM 1512 N GLY A 97 -12.896 -10.657 21.413 1.00 0.00 N ATOM 1513 CA GLY A 97 -13.712 -11.368 22.379 1.00 0.00 C ATOM 1514 C GLY A 97 -14.111 -12.749 21.897 1.00 0.00 C ATOM 1515 O GLY A 97 -15.132 -13.290 22.319 1.00 0.00 O ATOM 0 H GLY A 97 -13.263 -10.654 20.461 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -13.164 -11.458 23.317 1.00 0.00 H new ATOM 0 HA3 GLY A 97 -14.610 -10.787 22.589 1.00 0.00 H new TER 1519 GLY A 97