USER MOD reduce.3.24.130724 H: found=0, std=0, add=620, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 618 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 69 ASN : amide:sc= 0.0429 K(o=1.3,f=-2.6!) USER MOD Set 1.2: A 72 LYS NZ :NH3+ 178:sc= 1.22 (180deg=1.03) USER MOD Set 2.1: A 46 HIS : no HE2:sc= -5.34! C(o=-5.3!,f=-3.9!) USER MOD Set 2.2: A 48 SER OG : rot 180:sc= 0 USER MOD Set 3.1: A 39 HIS : no HE2:sc= -4.35 K(o=-6.9,f=-9.7!) USER MOD Set 3.2: A 43 MET CE :methyl 162:sc= -2.54 (180deg=-4.28!) USER MOD Single : A 4 LYS NZ :NH3+ -179:sc= 1.39 (180deg=1.24) USER MOD Single : A 5 HIS : no HD1:sc= -0.0348 X(o=-0.035,f=0) USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 10 TYR OH : rot 131:sc= 2.16 USER MOD Single : A 11 THR OG1 : rot 180:sc= 0.0911 USER MOD Single : A 17 GLN : amide:sc= 0 X(o=0,f=-0.45) USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 THR OG1 : rot -72:sc= 1.2 USER MOD Single : A 23 CYS SG : rot 70:sc= 0.118 USER MOD Single : A 24 ASN : amide:sc= 0.224 X(o=0.22,f=-0.15) USER MOD Single : A 27 THR OG1 : rot 160:sc= -0.557 USER MOD Single : A 28 SER OG : rot -171:sc= 0.801 USER MOD Single : A 29 SER OG : rot -79:sc= 0.978 USER MOD Single : A 35 LYS NZ :NH3+ -138:sc= 0.0574 (180deg=-2.65!) USER MOD Single : A 38 THR OG1 : rot 35:sc= 1.2 USER MOD Single : A 44 THR OG1 : rot -9:sc= 0.757 USER MOD Single : A 50 SER OG : rot 55:sc= 1.25 USER MOD Single : A 54 TYR OH : rot 150:sc= 0 USER MOD Single : A 55 TYR OH : rot 114:sc= 0.184 USER MOD Single : A 57 LYS NZ :NH3+ -151:sc= 0.119 (180deg=-0.624) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 65 SER OG : rot 180:sc= -0.0397 USER MOD Single : A 70 THR OG1 : rot 58:sc= 0.581 USER MOD Single : A 73 GLN : amide:sc= 0.675 K(o=0.68,f=0) USER MOD Single : A 78 ASN : amide:sc= -0.911 K(o=-0.91,f=-3.9!) USER MOD Single : A 80 LYS NZ :NH3+ -123:sc= -0.443 (180deg=-5.03!) USER MOD Single : A 81 SER OG : rot -111:sc= -1.72 USER MOD Single : A 84 LYS NZ :NH3+ -140:sc= -0.386! (180deg=-1.92!) USER MOD Single : A 85 GLN : amide:sc= -0.122 X(o=-0.12,f=0) USER MOD ----------------------------------------------------------------- ATOM 35 N LEU A 3 -0.817 2.990 11.213 1.00 0.00 N ATOM 36 CA LEU A 3 -0.716 3.394 9.886 1.00 0.00 C ATOM 37 C LEU A 3 0.592 2.846 9.444 1.00 0.00 C ATOM 38 O LEU A 3 0.627 1.811 8.796 1.00 0.00 O ATOM 39 CB LEU A 3 -0.907 4.910 9.892 1.00 0.00 C ATOM 40 CG LEU A 3 -1.987 5.174 8.853 1.00 0.00 C ATOM 41 CD1 LEU A 3 -2.542 6.581 9.027 1.00 0.00 C ATOM 42 CD2 LEU A 3 -1.294 5.035 7.503 1.00 0.00 C ATOM 0 HA LEU A 3 -1.455 3.034 9.171 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -1.211 5.266 10.876 1.00 0.00 H new ATOM 0 HB3 LEU A 3 0.019 5.426 9.639 1.00 0.00 H new ATOM 0 HG LEU A 3 -2.825 4.483 8.946 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -3.314 6.762 8.280 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -2.971 6.682 10.024 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -1.739 7.307 8.902 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -2.014 5.213 6.704 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -0.486 5.763 7.432 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -0.885 4.029 7.406 1.00 0.00 H new ATOM 54 N LYS A 4 1.601 3.464 10.053 1.00 0.00 N ATOM 55 CA LYS A 4 2.969 3.067 10.298 1.00 0.00 C ATOM 56 C LYS A 4 3.991 4.168 10.074 1.00 0.00 C ATOM 57 O LYS A 4 3.660 5.340 9.944 1.00 0.00 O ATOM 58 CB LYS A 4 3.312 1.682 9.727 1.00 0.00 C ATOM 59 CG LYS A 4 2.997 0.528 10.674 1.00 0.00 C ATOM 60 CD LYS A 4 1.560 0.140 11.025 1.00 0.00 C ATOM 61 CE LYS A 4 1.287 -0.596 12.340 1.00 0.00 C ATOM 62 NZ LYS A 4 1.371 -2.061 12.262 1.00 0.00 N ATOM 0 H LYS A 4 1.442 4.394 10.440 1.00 0.00 H new ATOM 0 HA LYS A 4 3.048 2.913 11.374 1.00 0.00 H new ATOM 0 HB2 LYS A 4 2.762 1.537 8.797 1.00 0.00 H new ATOM 0 HB3 LYS A 4 4.373 1.655 9.477 1.00 0.00 H new ATOM 0 HG2 LYS A 4 3.470 -0.361 10.256 1.00 0.00 H new ATOM 0 HG3 LYS A 4 3.503 0.745 11.615 1.00 0.00 H new ATOM 0 HD2 LYS A 4 0.965 1.053 11.030 1.00 0.00 H new ATOM 0 HD3 LYS A 4 1.181 -0.483 10.215 1.00 0.00 H new ATOM 0 HE2 LYS A 4 1.997 -0.246 13.089 1.00 0.00 H new ATOM 0 HE3 LYS A 4 0.292 -0.323 12.692 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 1.155 -2.471 13.193 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 0.686 -2.411 11.562 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 2.331 -2.339 11.976 1.00 0.00 H new ATOM 76 N HIS A 5 5.238 3.750 10.266 1.00 0.00 N ATOM 77 CA HIS A 5 6.493 4.458 10.149 1.00 0.00 C ATOM 78 C HIS A 5 7.503 3.755 9.284 1.00 0.00 C ATOM 79 O HIS A 5 8.507 4.281 8.819 1.00 0.00 O ATOM 80 CB HIS A 5 7.113 4.648 11.529 1.00 0.00 C ATOM 81 CG HIS A 5 6.234 4.358 12.716 1.00 0.00 C ATOM 82 ND1 HIS A 5 5.533 5.286 13.441 1.00 0.00 N ATOM 83 CD2 HIS A 5 5.985 3.121 13.246 1.00 0.00 C ATOM 84 CE1 HIS A 5 4.921 4.631 14.437 1.00 0.00 C ATOM 85 NE2 HIS A 5 5.127 3.304 14.341 1.00 0.00 N ATOM 0 H HIS A 5 5.404 2.782 10.542 1.00 0.00 H new ATOM 0 HA HIS A 5 6.253 5.411 9.678 1.00 0.00 H new ATOM 0 HB2 HIS A 5 7.994 4.010 11.596 1.00 0.00 H new ATOM 0 HB3 HIS A 5 7.459 5.679 11.607 1.00 0.00 H new ATOM 0 HD2 HIS A 5 6.376 2.180 12.888 1.00 0.00 H new ATOM 0 HE1 HIS A 5 4.339 5.105 15.214 1.00 0.00 H new ATOM 0 HE2 HIS A 5 4.738 2.578 14.943 1.00 0.00 H new ATOM 93 N SER A 6 7.256 2.479 9.219 1.00 0.00 N ATOM 94 CA SER A 6 7.822 1.490 8.448 1.00 0.00 C ATOM 95 C SER A 6 6.802 0.542 7.952 1.00 0.00 C ATOM 96 O SER A 6 5.958 0.038 8.692 1.00 0.00 O ATOM 97 CB SER A 6 8.829 0.735 9.237 1.00 0.00 C ATOM 98 OG SER A 6 8.861 0.985 10.634 1.00 0.00 O ATOM 0 H SER A 6 6.530 2.083 9.816 1.00 0.00 H new ATOM 0 HA SER A 6 8.299 1.975 7.596 1.00 0.00 H new ATOM 0 HB2 SER A 6 8.651 -0.330 9.086 1.00 0.00 H new ATOM 0 HB3 SER A 6 9.816 0.955 8.829 1.00 0.00 H new ATOM 0 HG SER A 6 9.557 0.434 11.049 1.00 0.00 H new ATOM 104 N ILE A 7 7.165 0.128 6.760 1.00 0.00 N ATOM 105 CA ILE A 7 6.711 -1.018 6.049 1.00 0.00 C ATOM 106 C ILE A 7 6.819 -2.334 6.803 1.00 0.00 C ATOM 107 O ILE A 7 6.566 -3.393 6.247 1.00 0.00 O ATOM 108 CB ILE A 7 7.482 -0.992 4.722 1.00 0.00 C ATOM 109 CG1 ILE A 7 6.478 -1.012 3.591 1.00 0.00 C ATOM 110 CG2 ILE A 7 8.692 -1.934 4.679 1.00 0.00 C ATOM 111 CD1 ILE A 7 6.612 -2.114 2.596 1.00 0.00 C ATOM 0 H ILE A 7 7.857 0.648 6.220 1.00 0.00 H new ATOM 0 HA ILE A 7 5.634 -0.966 5.891 1.00 0.00 H new ATOM 0 HB ILE A 7 8.029 -0.058 4.593 1.00 0.00 H new ATOM 0 HG12 ILE A 7 5.479 -1.064 4.024 1.00 0.00 H new ATOM 0 HG13 ILE A 7 6.546 -0.063 3.059 1.00 0.00 H new ATOM 0 HG21 ILE A 7 9.180 -1.855 3.708 1.00 0.00 H new ATOM 0 HG22 ILE A 7 9.397 -1.657 5.463 1.00 0.00 H new ATOM 0 HG23 ILE A 7 8.360 -2.960 4.835 1.00 0.00 H new ATOM 0 HD11 ILE A 7 5.835 -2.016 1.838 1.00 0.00 H new ATOM 0 HD12 ILE A 7 7.591 -2.058 2.121 1.00 0.00 H new ATOM 0 HD13 ILE A 7 6.508 -3.075 3.101 1.00 0.00 H new ATOM 123 N SER A 8 7.286 -2.291 8.037 1.00 0.00 N ATOM 124 CA SER A 8 7.705 -3.382 8.830 1.00 0.00 C ATOM 125 C SER A 8 7.176 -3.280 10.232 1.00 0.00 C ATOM 126 O SER A 8 7.308 -4.266 10.959 1.00 0.00 O ATOM 127 CB SER A 8 9.174 -3.452 8.682 1.00 0.00 C ATOM 128 OG SER A 8 9.983 -3.424 9.835 1.00 0.00 O ATOM 0 H SER A 8 7.381 -1.405 8.533 1.00 0.00 H new ATOM 0 HA SER A 8 7.290 -4.336 8.503 1.00 0.00 H new ATOM 0 HB2 SER A 8 9.406 -4.369 8.141 1.00 0.00 H new ATOM 0 HB3 SER A 8 9.480 -2.621 8.046 1.00 0.00 H new ATOM 0 HG SER A 8 10.926 -3.480 9.574 1.00 0.00 H new ATOM 134 N ASP A 9 6.532 -2.150 10.592 1.00 0.00 N ATOM 135 CA ASP A 9 5.650 -2.341 11.762 1.00 0.00 C ATOM 136 C ASP A 9 4.434 -3.151 11.355 1.00 0.00 C ATOM 137 O ASP A 9 3.675 -3.544 12.239 1.00 0.00 O ATOM 138 CB ASP A 9 5.079 -1.062 12.408 1.00 0.00 C ATOM 139 CG ASP A 9 4.926 -1.052 13.930 1.00 0.00 C ATOM 140 OD1 ASP A 9 5.862 -1.461 14.642 1.00 0.00 O ATOM 141 OD2 ASP A 9 3.850 -0.567 14.376 1.00 0.00 O ATOM 0 H ASP A 9 6.585 -1.225 10.166 1.00 0.00 H new ATOM 0 HA ASP A 9 6.303 -2.823 12.490 1.00 0.00 H new ATOM 0 HB2 ASP A 9 5.722 -0.227 12.128 1.00 0.00 H new ATOM 0 HB3 ASP A 9 4.100 -0.871 11.969 1.00 0.00 H new ATOM 146 N TYR A 10 4.169 -3.324 10.058 1.00 0.00 N ATOM 147 CA TYR A 10 2.941 -3.964 9.600 1.00 0.00 C ATOM 148 C TYR A 10 3.338 -5.197 8.782 1.00 0.00 C ATOM 149 O TYR A 10 4.484 -5.260 8.336 1.00 0.00 O ATOM 150 CB TYR A 10 2.015 -2.934 8.941 1.00 0.00 C ATOM 151 CG TYR A 10 2.307 -2.370 7.578 1.00 0.00 C ATOM 152 CD1 TYR A 10 3.505 -2.653 6.917 1.00 0.00 C ATOM 153 CD2 TYR A 10 1.335 -1.570 6.947 1.00 0.00 C ATOM 154 CE1 TYR A 10 3.707 -2.211 5.618 1.00 0.00 C ATOM 155 CE2 TYR A 10 1.579 -1.052 5.665 1.00 0.00 C ATOM 156 CZ TYR A 10 2.792 -1.347 5.013 1.00 0.00 C ATOM 157 OH TYR A 10 3.099 -0.883 3.782 1.00 0.00 O ATOM 0 H TYR A 10 4.793 -3.028 9.307 1.00 0.00 H new ATOM 0 HA TYR A 10 2.320 -4.345 10.411 1.00 0.00 H new ATOM 0 HB2 TYR A 10 1.024 -3.386 8.891 1.00 0.00 H new ATOM 0 HB3 TYR A 10 1.945 -2.088 9.625 1.00 0.00 H new ATOM 0 HD1 TYR A 10 4.276 -3.218 7.419 1.00 0.00 H new ATOM 0 HD2 TYR A 10 0.403 -1.355 7.449 1.00 0.00 H new ATOM 0 HE1 TYR A 10 4.579 -2.538 5.070 1.00 0.00 H new ATOM 0 HE2 TYR A 10 0.840 -0.430 5.181 1.00 0.00 H new ATOM 0 HH TYR A 10 2.329 -0.999 3.187 1.00 0.00 H new ATOM 167 N THR A 11 2.501 -6.228 8.652 1.00 0.00 N ATOM 168 CA THR A 11 2.835 -7.381 7.808 1.00 0.00 C ATOM 169 C THR A 11 2.473 -7.066 6.357 1.00 0.00 C ATOM 170 O THR A 11 1.819 -6.070 6.049 1.00 0.00 O ATOM 171 CB THR A 11 2.241 -8.723 8.311 1.00 0.00 C ATOM 172 OG1 THR A 11 1.207 -9.267 7.510 1.00 0.00 O ATOM 173 CG2 THR A 11 1.721 -8.746 9.735 1.00 0.00 C ATOM 0 H THR A 11 1.594 -6.290 9.115 1.00 0.00 H new ATOM 0 HA THR A 11 3.911 -7.542 7.872 1.00 0.00 H new ATOM 0 HB THR A 11 3.143 -9.332 8.246 1.00 0.00 H new ATOM 0 HG1 THR A 11 0.898 -10.110 7.903 1.00 0.00 H new ATOM 0 HG21 THR A 11 1.333 -9.738 9.965 1.00 0.00 H new ATOM 0 HG22 THR A 11 2.532 -8.505 10.422 1.00 0.00 H new ATOM 0 HG23 THR A 11 0.924 -8.011 9.843 1.00 0.00 H new ATOM 181 N GLU A 12 2.847 -7.955 5.444 1.00 0.00 N ATOM 182 CA GLU A 12 2.520 -7.782 4.044 1.00 0.00 C ATOM 183 C GLU A 12 1.012 -7.851 3.767 1.00 0.00 C ATOM 184 O GLU A 12 0.517 -7.212 2.843 1.00 0.00 O ATOM 185 CB GLU A 12 3.305 -8.825 3.250 1.00 0.00 C ATOM 186 CG GLU A 12 3.326 -8.372 1.802 1.00 0.00 C ATOM 187 CD GLU A 12 4.217 -9.238 0.915 1.00 0.00 C ATOM 188 OE1 GLU A 12 5.425 -8.916 0.812 1.00 0.00 O ATOM 189 OE2 GLU A 12 3.655 -10.086 0.190 1.00 0.00 O ATOM 0 H GLU A 12 3.377 -8.801 5.654 1.00 0.00 H new ATOM 0 HA GLU A 12 2.808 -6.779 3.728 1.00 0.00 H new ATOM 0 HB2 GLU A 12 4.319 -8.919 3.638 1.00 0.00 H new ATOM 0 HB3 GLU A 12 2.838 -9.806 3.338 1.00 0.00 H new ATOM 0 HG2 GLU A 12 2.309 -8.386 1.409 1.00 0.00 H new ATOM 0 HG3 GLU A 12 3.672 -7.339 1.756 1.00 0.00 H new ATOM 196 N ALA A 13 0.276 -8.601 4.583 1.00 0.00 N ATOM 197 CA ALA A 13 -1.172 -8.732 4.491 1.00 0.00 C ATOM 198 C ALA A 13 -1.843 -7.589 5.238 1.00 0.00 C ATOM 199 O ALA A 13 -2.931 -7.170 4.867 1.00 0.00 O ATOM 200 CB ALA A 13 -1.609 -10.083 5.068 1.00 0.00 C ATOM 0 H ALA A 13 0.681 -9.147 5.344 1.00 0.00 H new ATOM 0 HA ALA A 13 -1.473 -8.687 3.444 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -2.693 -10.176 4.997 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -1.138 -10.889 4.505 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -1.307 -10.147 6.114 1.00 0.00 H new ATOM 206 N GLU A 14 -1.162 -7.053 6.246 1.00 0.00 N ATOM 207 CA GLU A 14 -1.549 -5.855 6.965 1.00 0.00 C ATOM 208 C GLU A 14 -1.643 -4.685 5.983 1.00 0.00 C ATOM 209 O GLU A 14 -2.640 -3.971 5.931 1.00 0.00 O ATOM 210 CB GLU A 14 -0.478 -5.626 8.043 1.00 0.00 C ATOM 211 CG GLU A 14 -1.073 -5.019 9.306 1.00 0.00 C ATOM 212 CD GLU A 14 -0.153 -5.018 10.537 1.00 0.00 C ATOM 213 OE1 GLU A 14 0.582 -6.004 10.769 1.00 0.00 O ATOM 214 OE2 GLU A 14 -0.094 -3.991 11.245 1.00 0.00 O ATOM 0 H GLU A 14 -0.294 -7.460 6.594 1.00 0.00 H new ATOM 0 HA GLU A 14 -2.527 -5.949 7.437 1.00 0.00 H new ATOM 0 HB2 GLU A 14 0.003 -6.574 8.286 1.00 0.00 H new ATOM 0 HB3 GLU A 14 0.297 -4.967 7.652 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -1.365 -3.991 9.091 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -1.984 -5.563 9.555 1.00 0.00 H new ATOM 221 N PHE A 15 -0.629 -4.541 5.132 1.00 0.00 N ATOM 222 CA PHE A 15 -0.605 -3.519 4.100 1.00 0.00 C ATOM 223 C PHE A 15 -1.581 -3.831 2.999 1.00 0.00 C ATOM 224 O PHE A 15 -2.151 -2.926 2.399 1.00 0.00 O ATOM 225 CB PHE A 15 0.760 -3.489 3.441 1.00 0.00 C ATOM 226 CG PHE A 15 1.015 -2.359 2.450 1.00 0.00 C ATOM 227 CD1 PHE A 15 0.425 -1.085 2.606 1.00 0.00 C ATOM 228 CD2 PHE A 15 2.021 -2.530 1.482 1.00 0.00 C ATOM 229 CE1 PHE A 15 0.943 0.024 1.920 1.00 0.00 C ATOM 230 CE2 PHE A 15 2.532 -1.423 0.786 1.00 0.00 C ATOM 231 CZ PHE A 15 2.034 -0.140 1.050 1.00 0.00 C ATOM 0 H PHE A 15 0.200 -5.135 5.143 1.00 0.00 H new ATOM 0 HA PHE A 15 -0.854 -2.574 4.584 1.00 0.00 H new ATOM 0 HB2 PHE A 15 1.515 -3.432 4.225 1.00 0.00 H new ATOM 0 HB3 PHE A 15 0.909 -4.436 2.923 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -0.429 -0.964 3.256 1.00 0.00 H new ATOM 0 HD2 PHE A 15 2.403 -3.519 1.273 1.00 0.00 H new ATOM 0 HE1 PHE A 15 0.504 1.001 2.060 1.00 0.00 H new ATOM 0 HE2 PHE A 15 3.308 -1.560 0.048 1.00 0.00 H new ATOM 0 HZ PHE A 15 2.489 0.722 0.585 1.00 0.00 H new ATOM 241 N LEU A 16 -1.752 -5.115 2.698 1.00 0.00 N ATOM 242 CA LEU A 16 -2.634 -5.477 1.610 1.00 0.00 C ATOM 243 C LEU A 16 -4.049 -5.098 1.972 1.00 0.00 C ATOM 244 O LEU A 16 -4.818 -4.618 1.154 1.00 0.00 O ATOM 245 CB LEU A 16 -2.502 -6.968 1.377 1.00 0.00 C ATOM 246 CG LEU A 16 -3.297 -7.543 0.195 1.00 0.00 C ATOM 247 CD1 LEU A 16 -3.420 -6.652 -1.030 1.00 0.00 C ATOM 248 CD2 LEU A 16 -2.587 -8.803 -0.345 1.00 0.00 C ATOM 0 H LEU A 16 -1.304 -5.895 3.179 1.00 0.00 H new ATOM 0 HA LEU A 16 -2.371 -4.949 0.693 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -1.448 -7.199 1.225 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -2.814 -7.485 2.284 1.00 0.00 H new ATOM 0 HG LEU A 16 -4.287 -7.703 0.622 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -4.001 -7.165 -1.796 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -3.920 -5.723 -0.756 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -2.426 -6.428 -1.418 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -3.153 -9.209 -1.183 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -1.583 -8.540 -0.678 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -2.523 -9.551 0.445 1.00 0.00 H new ATOM 260 N GLN A 17 -4.366 -5.254 3.243 1.00 0.00 N ATOM 261 CA GLN A 17 -5.576 -4.862 3.819 1.00 0.00 C ATOM 262 C GLN A 17 -5.679 -3.359 3.795 1.00 0.00 C ATOM 263 O GLN A 17 -6.751 -2.817 3.593 1.00 0.00 O ATOM 264 CB GLN A 17 -5.696 -5.449 5.232 1.00 0.00 C ATOM 265 CG GLN A 17 -6.854 -4.787 5.963 1.00 0.00 C ATOM 266 CD GLN A 17 -7.274 -5.432 7.281 1.00 0.00 C ATOM 267 OE1 GLN A 17 -6.972 -6.583 7.582 1.00 0.00 O ATOM 268 NE2 GLN A 17 -8.010 -4.694 8.096 1.00 0.00 N ATOM 0 H GLN A 17 -3.730 -5.685 3.914 1.00 0.00 H new ATOM 0 HA GLN A 17 -6.416 -5.252 3.245 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -5.856 -6.526 5.177 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -4.768 -5.292 5.782 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -6.587 -3.749 6.159 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -7.717 -4.774 5.297 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -8.256 -3.739 7.837 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -8.332 -5.081 8.983 1.00 0.00 H new ATOM 277 N LEU A 18 -4.574 -2.669 3.999 1.00 0.00 N ATOM 278 CA LEU A 18 -4.632 -1.243 4.020 1.00 0.00 C ATOM 279 C LEU A 18 -5.034 -0.704 2.651 1.00 0.00 C ATOM 280 O LEU A 18 -5.971 0.079 2.509 1.00 0.00 O ATOM 281 CB LEU A 18 -3.332 -0.689 4.510 1.00 0.00 C ATOM 282 CG LEU A 18 -3.581 0.791 4.800 1.00 0.00 C ATOM 283 CD1 LEU A 18 -3.342 1.692 3.577 1.00 0.00 C ATOM 284 CD2 LEU A 18 -4.820 1.118 5.631 1.00 0.00 C ATOM 0 H LEU A 18 -3.649 -3.073 4.148 1.00 0.00 H new ATOM 0 HA LEU A 18 -5.403 -0.915 4.717 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -3.000 -1.211 5.407 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -2.549 -0.813 3.761 1.00 0.00 H new ATOM 0 HG LEU A 18 -2.794 1.060 5.504 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -3.535 2.730 3.847 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -2.309 1.589 3.246 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -4.013 1.396 2.770 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -4.890 2.197 5.770 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -5.710 0.760 5.113 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -4.745 0.631 6.603 1.00 0.00 H new ATOM 296 N VAL A 19 -4.358 -1.212 1.627 1.00 0.00 N ATOM 297 CA VAL A 19 -4.642 -0.932 0.221 1.00 0.00 C ATOM 298 C VAL A 19 -6.148 -1.248 0.027 1.00 0.00 C ATOM 299 O VAL A 19 -6.877 -0.474 -0.581 1.00 0.00 O ATOM 300 CB VAL A 19 -3.741 -1.844 -0.576 1.00 0.00 C ATOM 301 CG1 VAL A 19 -4.180 -1.726 -2.020 1.00 0.00 C ATOM 302 CG2 VAL A 19 -2.285 -1.374 -0.398 1.00 0.00 C ATOM 0 H VAL A 19 -3.572 -1.850 1.754 1.00 0.00 H new ATOM 0 HA VAL A 19 -4.457 0.094 -0.096 1.00 0.00 H new ATOM 0 HB VAL A 19 -3.802 -2.882 -0.250 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -3.558 -2.369 -2.643 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -5.222 -2.032 -2.110 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -4.076 -0.692 -2.348 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -1.621 -2.023 -0.968 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -2.187 -0.349 -0.757 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -2.016 -1.416 0.657 1.00 0.00 H new ATOM 312 N THR A 20 -6.644 -2.353 0.604 1.00 0.00 N ATOM 313 CA THR A 20 -8.025 -2.805 0.495 1.00 0.00 C ATOM 314 C THR A 20 -8.994 -1.951 1.328 1.00 0.00 C ATOM 315 O THR A 20 -10.174 -1.971 1.015 1.00 0.00 O ATOM 316 CB THR A 20 -8.101 -4.329 0.794 1.00 0.00 C ATOM 317 OG1 THR A 20 -8.782 -4.980 -0.262 1.00 0.00 O ATOM 318 CG2 THR A 20 -8.768 -4.802 2.084 1.00 0.00 C ATOM 0 H THR A 20 -6.070 -2.972 1.177 1.00 0.00 H new ATOM 0 HA THR A 20 -8.365 -2.660 -0.530 1.00 0.00 H new ATOM 0 HB THR A 20 -7.047 -4.584 0.908 1.00 0.00 H new ATOM 0 HG1 THR A 20 -8.830 -5.941 -0.077 1.00 0.00 H new ATOM 0 HG21 THR A 20 -8.734 -5.890 2.133 1.00 0.00 H new ATOM 0 HG22 THR A 20 -8.240 -4.383 2.941 1.00 0.00 H new ATOM 0 HG23 THR A 20 -9.806 -4.470 2.100 1.00 0.00 H new ATOM 326 N THR A 21 -8.546 -1.181 2.321 1.00 0.00 N ATOM 327 CA THR A 21 -9.291 -0.148 3.034 1.00 0.00 C ATOM 328 C THR A 21 -9.493 1.057 2.108 1.00 0.00 C ATOM 329 O THR A 21 -10.481 1.767 2.242 1.00 0.00 O ATOM 330 CB THR A 21 -8.494 0.220 4.310 1.00 0.00 C ATOM 331 OG1 THR A 21 -8.925 -0.489 5.462 1.00 0.00 O ATOM 332 CG2 THR A 21 -8.306 1.732 4.554 1.00 0.00 C ATOM 0 H THR A 21 -7.591 -1.270 2.669 1.00 0.00 H new ATOM 0 HA THR A 21 -10.280 -0.498 3.331 1.00 0.00 H new ATOM 0 HB THR A 21 -7.484 -0.132 4.099 1.00 0.00 H new ATOM 0 HG1 THR A 21 -9.795 -0.144 5.752 1.00 0.00 H new ATOM 0 HG21 THR A 21 -7.736 1.885 5.471 1.00 0.00 H new ATOM 0 HG22 THR A 21 -7.767 2.172 3.715 1.00 0.00 H new ATOM 0 HG23 THR A 21 -9.281 2.209 4.649 1.00 0.00 H new ATOM 340 N ILE A 22 -8.587 1.301 1.162 1.00 0.00 N ATOM 341 CA ILE A 22 -8.610 2.393 0.197 1.00 0.00 C ATOM 342 C ILE A 22 -9.486 1.968 -0.968 1.00 0.00 C ATOM 343 O ILE A 22 -10.457 2.648 -1.287 1.00 0.00 O ATOM 344 CB ILE A 22 -7.208 2.769 -0.323 1.00 0.00 C ATOM 345 CG1 ILE A 22 -6.108 2.586 0.731 1.00 0.00 C ATOM 346 CG2 ILE A 22 -7.262 4.207 -0.834 1.00 0.00 C ATOM 347 CD1 ILE A 22 -4.873 3.439 0.520 1.00 0.00 C ATOM 0 H ILE A 22 -7.769 0.704 1.044 1.00 0.00 H new ATOM 0 HA ILE A 22 -9.003 3.279 0.696 1.00 0.00 H new ATOM 0 HB ILE A 22 -6.941 2.090 -1.132 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -6.524 2.812 1.713 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -5.810 1.538 0.745 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -6.280 4.497 -1.208 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -7.993 4.280 -1.639 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -7.551 4.872 -0.020 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -4.153 3.240 1.314 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -4.425 3.199 -0.444 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -5.151 4.493 0.538 1.00 0.00 H new ATOM 359 N CYS A 23 -9.219 0.775 -1.512 1.00 0.00 N ATOM 360 CA CYS A 23 -10.153 0.074 -2.369 1.00 0.00 C ATOM 361 C CYS A 23 -11.448 -0.257 -1.609 1.00 0.00 C ATOM 362 O CYS A 23 -12.346 -0.813 -2.242 1.00 0.00 O ATOM 363 CB CYS A 23 -9.509 -1.149 -3.071 1.00 0.00 C ATOM 364 SG CYS A 23 -7.900 -0.681 -3.783 1.00 0.00 S ATOM 0 H CYS A 23 -8.342 0.275 -1.363 1.00 0.00 H new ATOM 0 HA CYS A 23 -10.433 0.743 -3.183 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -9.377 -1.961 -2.356 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -10.170 -1.518 -3.855 1.00 0.00 H new ATOM 0 HG CYS A 23 -7.048 -0.464 -2.825 1.00 0.00 H new ATOM 370 N ASN A 24 -11.575 0.097 -0.310 1.00 0.00 N ATOM 371 CA ASN A 24 -12.910 0.089 0.342 1.00 0.00 C ATOM 372 C ASN A 24 -13.450 1.465 0.791 1.00 0.00 C ATOM 373 O ASN A 24 -14.649 1.571 1.032 1.00 0.00 O ATOM 374 CB ASN A 24 -12.993 -0.983 1.446 1.00 0.00 C ATOM 375 CG ASN A 24 -14.413 -1.192 1.977 1.00 0.00 C ATOM 376 OD1 ASN A 24 -15.314 -1.544 1.222 1.00 0.00 O ATOM 377 ND2 ASN A 24 -14.662 -1.076 3.274 1.00 0.00 N ATOM 0 H ASN A 24 -10.802 0.382 0.291 1.00 0.00 H new ATOM 0 HA ASN A 24 -13.602 -0.191 -0.452 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -12.615 -1.928 1.055 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -12.342 -0.696 2.272 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -15.594 -1.279 3.634 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -13.921 -0.784 3.911 1.00 0.00 H new ATOM 384 N ALA A 25 -12.630 2.529 0.867 1.00 0.00 N ATOM 385 CA ALA A 25 -12.975 3.854 1.427 1.00 0.00 C ATOM 386 C ALA A 25 -13.626 3.717 2.809 1.00 0.00 C ATOM 387 O ALA A 25 -14.417 4.539 3.259 1.00 0.00 O ATOM 388 CB ALA A 25 -13.852 4.603 0.404 1.00 0.00 C ATOM 0 H ALA A 25 -11.669 2.490 0.527 1.00 0.00 H new ATOM 0 HA ALA A 25 -12.075 4.445 1.594 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -14.117 5.583 0.800 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -13.300 4.725 -0.528 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -14.760 4.031 0.215 1.00 0.00 H new ATOM 394 N ASP A 26 -13.119 2.722 3.522 1.00 0.00 N ATOM 395 CA ASP A 26 -13.323 2.156 4.862 1.00 0.00 C ATOM 396 C ASP A 26 -13.029 3.112 6.024 1.00 0.00 C ATOM 397 O ASP A 26 -12.933 2.756 7.194 1.00 0.00 O ATOM 398 CB ASP A 26 -12.309 1.043 4.839 1.00 0.00 C ATOM 399 CG ASP A 26 -12.448 -0.048 5.883 1.00 0.00 C ATOM 400 OD1 ASP A 26 -13.527 -0.683 5.874 1.00 0.00 O ATOM 401 OD2 ASP A 26 -11.409 -0.374 6.496 1.00 0.00 O ATOM 0 H ASP A 26 -12.391 2.170 3.069 1.00 0.00 H new ATOM 0 HA ASP A 26 -14.362 1.877 5.038 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -12.345 0.575 3.855 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -11.319 1.487 4.945 1.00 0.00 H new ATOM 406 N THR A 27 -12.817 4.350 5.628 1.00 0.00 N ATOM 407 CA THR A 27 -12.109 5.391 6.339 1.00 0.00 C ATOM 408 C THR A 27 -12.934 6.473 7.007 1.00 0.00 C ATOM 409 O THR A 27 -14.158 6.408 7.118 1.00 0.00 O ATOM 410 CB THR A 27 -11.030 5.939 5.415 1.00 0.00 C ATOM 411 OG1 THR A 27 -11.543 6.930 4.553 1.00 0.00 O ATOM 412 CG2 THR A 27 -10.254 4.902 4.632 1.00 0.00 C ATOM 0 H THR A 27 -13.164 4.679 4.727 1.00 0.00 H new ATOM 0 HA THR A 27 -11.674 4.918 7.219 1.00 0.00 H new ATOM 0 HB THR A 27 -10.302 6.384 6.093 1.00 0.00 H new ATOM 0 HG1 THR A 27 -10.807 7.479 4.211 1.00 0.00 H new ATOM 0 HG21 THR A 27 -9.512 5.398 4.007 1.00 0.00 H new ATOM 0 HG22 THR A 27 -9.752 4.225 5.323 1.00 0.00 H new ATOM 0 HG23 THR A 27 -10.939 4.335 4.002 1.00 0.00 H new ATOM 420 N SER A 28 -12.208 7.509 7.443 1.00 0.00 N ATOM 421 CA SER A 28 -12.777 8.759 7.868 1.00 0.00 C ATOM 422 C SER A 28 -13.720 9.352 6.858 1.00 0.00 C ATOM 423 O SER A 28 -14.643 10.043 7.292 1.00 0.00 O ATOM 424 CB SER A 28 -11.675 9.740 8.216 1.00 0.00 C ATOM 425 OG SER A 28 -10.779 9.926 7.154 1.00 0.00 O ATOM 0 H SER A 28 -11.190 7.485 7.505 1.00 0.00 H new ATOM 0 HA SER A 28 -13.374 8.552 8.756 1.00 0.00 H new ATOM 0 HB2 SER A 28 -12.117 10.698 8.489 1.00 0.00 H new ATOM 0 HB3 SER A 28 -11.131 9.379 9.089 1.00 0.00 H new ATOM 0 HG SER A 28 -10.011 10.452 7.462 1.00 0.00 H new ATOM 431 N SER A 29 -13.475 9.064 5.572 1.00 0.00 N ATOM 432 CA SER A 29 -14.490 9.148 4.497 1.00 0.00 C ATOM 433 C SER A 29 -13.992 9.280 3.091 1.00 0.00 C ATOM 434 O SER A 29 -14.517 8.677 2.161 1.00 0.00 O ATOM 435 CB SER A 29 -15.581 10.224 4.672 1.00 0.00 C ATOM 436 OG SER A 29 -15.066 11.455 5.144 1.00 0.00 O ATOM 0 H SER A 29 -12.559 8.763 5.239 1.00 0.00 H new ATOM 0 HA SER A 29 -14.914 8.153 4.633 1.00 0.00 H new ATOM 0 HB2 SER A 29 -16.081 10.387 3.717 1.00 0.00 H new ATOM 0 HB3 SER A 29 -16.336 9.860 5.369 1.00 0.00 H new ATOM 0 HG SER A 29 -14.913 11.397 6.110 1.00 0.00 H new ATOM 442 N GLU A 30 -12.982 10.105 2.987 1.00 0.00 N ATOM 443 CA GLU A 30 -12.383 10.535 1.739 1.00 0.00 C ATOM 444 C GLU A 30 -10.925 10.972 1.912 1.00 0.00 C ATOM 445 O GLU A 30 -10.201 11.307 0.982 1.00 0.00 O ATOM 446 CB GLU A 30 -13.159 11.726 1.125 1.00 0.00 C ATOM 447 CG GLU A 30 -14.643 11.522 0.772 1.00 0.00 C ATOM 448 CD GLU A 30 -15.267 12.784 0.150 1.00 0.00 C ATOM 449 OE1 GLU A 30 -15.494 13.761 0.903 1.00 0.00 O ATOM 450 OE2 GLU A 30 -15.543 12.768 -1.072 1.00 0.00 O ATOM 0 H GLU A 30 -12.531 10.517 3.804 1.00 0.00 H new ATOM 0 HA GLU A 30 -12.426 9.669 1.079 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -13.094 12.561 1.823 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -12.639 12.029 0.216 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -14.739 10.689 0.075 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -15.195 11.250 1.671 1.00 0.00 H new ATOM 457 N GLU A 31 -10.478 10.886 3.147 1.00 0.00 N ATOM 458 CA GLU A 31 -9.369 11.589 3.723 1.00 0.00 C ATOM 459 C GLU A 31 -8.218 10.721 4.070 1.00 0.00 C ATOM 460 O GLU A 31 -7.204 10.729 3.396 1.00 0.00 O ATOM 461 CB GLU A 31 -9.999 12.226 4.878 1.00 0.00 C ATOM 462 CG GLU A 31 -9.217 13.144 5.799 1.00 0.00 C ATOM 463 CD GLU A 31 -8.366 12.383 6.835 1.00 0.00 C ATOM 464 OE1 GLU A 31 -8.968 11.695 7.691 1.00 0.00 O ATOM 465 OE2 GLU A 31 -7.116 12.419 6.768 1.00 0.00 O ATOM 0 H GLU A 31 -10.924 10.268 3.825 1.00 0.00 H new ATOM 0 HA GLU A 31 -8.898 12.293 3.038 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -10.845 12.801 4.501 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -10.407 11.427 5.498 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -8.565 13.780 5.200 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -9.912 13.802 6.322 1.00 0.00 H new ATOM 472 N GLU A 32 -8.496 9.891 5.058 1.00 0.00 N ATOM 473 CA GLU A 32 -7.800 8.670 5.330 1.00 0.00 C ATOM 474 C GLU A 32 -7.660 7.943 4.029 1.00 0.00 C ATOM 475 O GLU A 32 -6.697 7.277 3.838 1.00 0.00 O ATOM 476 CB GLU A 32 -8.554 7.816 6.264 1.00 0.00 C ATOM 477 CG GLU A 32 -8.208 8.167 7.693 1.00 0.00 C ATOM 478 CD GLU A 32 -6.947 7.588 8.327 1.00 0.00 C ATOM 479 OE1 GLU A 32 -6.314 6.689 7.750 1.00 0.00 O ATOM 480 OE2 GLU A 32 -6.561 8.180 9.360 1.00 0.00 O ATOM 0 H GLU A 32 -9.252 10.069 5.719 1.00 0.00 H new ATOM 0 HA GLU A 32 -6.835 8.897 5.784 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -9.624 7.943 6.100 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -8.325 6.767 6.074 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -8.134 9.253 7.753 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -9.052 7.870 8.315 1.00 0.00 H new ATOM 487 N LEU A 33 -8.556 8.102 3.080 1.00 0.00 N ATOM 488 CA LEU A 33 -8.392 7.545 1.768 1.00 0.00 C ATOM 489 C LEU A 33 -7.192 8.097 1.018 1.00 0.00 C ATOM 490 O LEU A 33 -6.291 7.346 0.668 1.00 0.00 O ATOM 491 CB LEU A 33 -9.715 7.820 1.077 1.00 0.00 C ATOM 492 CG LEU A 33 -10.546 6.580 1.375 1.00 0.00 C ATOM 493 CD1 LEU A 33 -11.975 7.057 1.604 1.00 0.00 C ATOM 494 CD2 LEU A 33 -10.385 5.695 0.132 1.00 0.00 C ATOM 0 H LEU A 33 -9.422 8.626 3.204 1.00 0.00 H new ATOM 0 HA LEU A 33 -8.168 6.479 1.808 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -10.189 8.722 1.465 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -9.584 7.965 0.005 1.00 0.00 H new ATOM 0 HG LEU A 33 -10.250 6.012 2.257 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -12.614 6.201 1.822 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -11.997 7.750 2.445 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -12.338 7.561 0.709 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -10.955 4.775 0.264 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -10.754 6.228 -0.744 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -9.332 5.452 -0.008 1.00 0.00 H new ATOM 506 N VAL A 34 -7.151 9.409 0.827 1.00 0.00 N ATOM 507 CA VAL A 34 -6.041 10.154 0.230 1.00 0.00 C ATOM 508 C VAL A 34 -4.756 9.964 1.047 1.00 0.00 C ATOM 509 O VAL A 34 -3.638 10.093 0.555 1.00 0.00 O ATOM 510 CB VAL A 34 -6.476 11.607 0.088 1.00 0.00 C ATOM 511 CG1 VAL A 34 -5.355 12.636 -0.128 1.00 0.00 C ATOM 512 CG2 VAL A 34 -7.496 11.753 -1.049 1.00 0.00 C ATOM 0 H VAL A 34 -7.926 10.015 1.096 1.00 0.00 H new ATOM 0 HA VAL A 34 -5.799 9.777 -0.764 1.00 0.00 H new ATOM 0 HB VAL A 34 -6.908 11.840 1.061 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -5.788 13.633 -0.215 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -4.669 12.610 0.719 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -4.812 12.396 -1.042 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -7.796 12.797 -1.137 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -7.046 11.425 -1.986 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -8.372 11.141 -0.833 1.00 0.00 H new ATOM 522 N LYS A 35 -4.915 9.633 2.317 1.00 0.00 N ATOM 523 CA LYS A 35 -3.877 9.581 3.309 1.00 0.00 C ATOM 524 C LYS A 35 -3.287 8.190 3.400 1.00 0.00 C ATOM 525 O LYS A 35 -2.076 8.062 3.468 1.00 0.00 O ATOM 526 CB LYS A 35 -4.602 10.001 4.567 1.00 0.00 C ATOM 527 CG LYS A 35 -3.740 9.989 5.789 1.00 0.00 C ATOM 528 CD LYS A 35 -4.142 9.064 6.910 1.00 0.00 C ATOM 529 CE LYS A 35 -4.473 9.854 8.189 1.00 0.00 C ATOM 530 NZ LYS A 35 -5.801 10.516 8.169 1.00 0.00 N ATOM 0 H LYS A 35 -5.828 9.380 2.696 1.00 0.00 H new ATOM 0 HA LYS A 35 -3.020 10.219 3.096 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -5.004 11.004 4.426 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -5.451 9.337 4.726 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -2.726 9.729 5.484 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -3.703 11.004 6.186 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -5.009 8.476 6.607 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -3.334 8.360 7.112 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -4.430 9.177 9.042 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -3.704 10.611 8.344 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -5.719 11.472 8.571 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -6.142 10.581 7.189 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -6.475 9.960 8.733 1.00 0.00 H new ATOM 544 N LEU A 36 -4.113 7.158 3.386 1.00 0.00 N ATOM 545 CA LEU A 36 -3.769 5.768 3.221 1.00 0.00 C ATOM 546 C LEU A 36 -3.156 5.596 1.841 1.00 0.00 C ATOM 547 O LEU A 36 -2.242 4.789 1.690 1.00 0.00 O ATOM 548 CB LEU A 36 -5.048 4.936 3.493 1.00 0.00 C ATOM 549 CG LEU A 36 -5.331 4.934 4.998 1.00 0.00 C ATOM 550 CD1 LEU A 36 -6.603 4.214 5.310 1.00 0.00 C ATOM 551 CD2 LEU A 36 -4.229 4.559 5.971 1.00 0.00 C ATOM 0 H LEU A 36 -5.118 7.287 3.499 1.00 0.00 H new ATOM 0 HA LEU A 36 -3.017 5.410 3.924 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -5.894 5.359 2.951 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -4.917 3.915 3.133 1.00 0.00 H new ATOM 0 HG LEU A 36 -5.419 6.003 5.193 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -6.776 4.230 6.386 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -7.433 4.705 4.802 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -6.529 3.181 4.970 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -4.610 4.613 6.991 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -3.890 3.544 5.763 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -3.394 5.250 5.859 1.00 0.00 H new ATOM 563 N VAL A 37 -3.594 6.390 0.855 1.00 0.00 N ATOM 564 CA VAL A 37 -2.963 6.426 -0.448 1.00 0.00 C ATOM 565 C VAL A 37 -1.496 6.804 -0.225 1.00 0.00 C ATOM 566 O VAL A 37 -0.596 6.074 -0.623 1.00 0.00 O ATOM 567 CB VAL A 37 -3.727 7.393 -1.398 1.00 0.00 C ATOM 568 CG1 VAL A 37 -2.890 8.171 -2.419 1.00 0.00 C ATOM 569 CG2 VAL A 37 -4.833 6.671 -2.166 1.00 0.00 C ATOM 0 H VAL A 37 -4.392 7.018 0.948 1.00 0.00 H new ATOM 0 HA VAL A 37 -2.999 5.458 -0.947 1.00 0.00 H new ATOM 0 HB VAL A 37 -4.120 8.129 -0.697 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -3.544 8.807 -3.017 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -2.161 8.790 -1.896 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -2.369 7.471 -3.072 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -5.344 7.379 -2.819 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -4.397 5.873 -2.767 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -5.548 6.246 -1.461 1.00 0.00 H new ATOM 579 N THR A 38 -1.266 7.895 0.500 1.00 0.00 N ATOM 580 CA THR A 38 0.033 8.517 0.691 1.00 0.00 C ATOM 581 C THR A 38 0.898 7.675 1.612 1.00 0.00 C ATOM 582 O THR A 38 2.100 7.581 1.424 1.00 0.00 O ATOM 583 CB THR A 38 -0.118 9.975 1.098 1.00 0.00 C ATOM 584 OG1 THR A 38 0.410 10.878 0.139 1.00 0.00 O ATOM 585 CG2 THR A 38 0.468 10.356 2.463 1.00 0.00 C ATOM 0 H THR A 38 -2.013 8.387 0.989 1.00 0.00 H new ATOM 0 HA THR A 38 0.573 8.548 -0.255 1.00 0.00 H new ATOM 0 HB THR A 38 -1.202 10.069 1.166 1.00 0.00 H new ATOM 0 HG1 THR A 38 0.266 10.520 -0.762 1.00 0.00 H new ATOM 0 HG21 THR A 38 0.302 11.418 2.647 1.00 0.00 H new ATOM 0 HG22 THR A 38 -0.019 9.772 3.244 1.00 0.00 H new ATOM 0 HG23 THR A 38 1.538 10.150 2.470 1.00 0.00 H new ATOM 593 N HIS A 39 0.286 7.020 2.592 1.00 0.00 N ATOM 594 CA HIS A 39 0.903 5.999 3.392 1.00 0.00 C ATOM 595 C HIS A 39 1.466 4.906 2.494 1.00 0.00 C ATOM 596 O HIS A 39 2.562 4.423 2.757 1.00 0.00 O ATOM 597 CB HIS A 39 -0.145 5.410 4.300 1.00 0.00 C ATOM 598 CG HIS A 39 0.335 4.195 5.018 1.00 0.00 C ATOM 599 ND1 HIS A 39 1.430 4.105 5.840 1.00 0.00 N ATOM 600 CD2 HIS A 39 -0.217 2.954 4.889 1.00 0.00 C ATOM 601 CE1 HIS A 39 1.467 2.831 6.260 1.00 0.00 C ATOM 602 NE2 HIS A 39 0.504 2.085 5.691 1.00 0.00 N ATOM 0 H HIS A 39 -0.684 7.200 2.850 1.00 0.00 H new ATOM 0 HA HIS A 39 1.716 6.428 3.978 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -0.452 6.160 5.029 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -1.027 5.156 3.713 1.00 0.00 H new ATOM 0 HD1 HIS A 39 2.081 4.852 6.082 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -1.065 2.695 4.272 1.00 0.00 H new ATOM 0 HE1 HIS A 39 2.185 2.450 6.971 1.00 0.00 H new ATOM 610 N PHE A 40 0.749 4.498 1.438 1.00 0.00 N ATOM 611 CA PHE A 40 1.356 3.539 0.517 1.00 0.00 C ATOM 612 C PHE A 40 2.616 4.150 -0.082 1.00 0.00 C ATOM 613 O PHE A 40 3.693 3.569 0.001 1.00 0.00 O ATOM 614 CB PHE A 40 0.401 3.075 -0.584 1.00 0.00 C ATOM 615 CG PHE A 40 0.934 1.890 -1.364 1.00 0.00 C ATOM 616 CD1 PHE A 40 2.040 2.009 -2.229 1.00 0.00 C ATOM 617 CD2 PHE A 40 0.328 0.638 -1.196 1.00 0.00 C ATOM 618 CE1 PHE A 40 2.473 0.894 -2.960 1.00 0.00 C ATOM 619 CE2 PHE A 40 0.741 -0.470 -1.955 1.00 0.00 C ATOM 620 CZ PHE A 40 1.791 -0.330 -2.870 1.00 0.00 C ATOM 0 H PHE A 40 -0.199 4.798 1.210 1.00 0.00 H new ATOM 0 HA PHE A 40 1.608 2.646 1.089 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -0.558 2.809 -0.139 1.00 0.00 H new ATOM 0 HB3 PHE A 40 0.216 3.902 -1.270 1.00 0.00 H new ATOM 0 HD1 PHE A 40 2.552 2.955 -2.328 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -0.467 0.523 -0.474 1.00 0.00 H new ATOM 0 HE1 PHE A 40 3.340 0.977 -3.599 1.00 0.00 H new ATOM 0 HE2 PHE A 40 0.251 -1.425 -1.833 1.00 0.00 H new ATOM 0 HZ PHE A 40 2.075 -1.158 -3.503 1.00 0.00 H new ATOM 630 N GLU A 41 2.462 5.317 -0.691 1.00 0.00 N ATOM 631 CA GLU A 41 3.540 6.115 -1.272 1.00 0.00 C ATOM 632 C GLU A 41 4.759 6.224 -0.339 1.00 0.00 C ATOM 633 O GLU A 41 5.908 6.136 -0.779 1.00 0.00 O ATOM 634 CB GLU A 41 3.081 7.462 -1.792 1.00 0.00 C ATOM 635 CG GLU A 41 1.790 7.513 -2.603 1.00 0.00 C ATOM 636 CD GLU A 41 1.458 8.943 -3.044 1.00 0.00 C ATOM 637 OE1 GLU A 41 0.865 9.696 -2.232 1.00 0.00 O ATOM 638 OE2 GLU A 41 1.820 9.274 -4.193 1.00 0.00 O ATOM 0 H GLU A 41 1.547 5.754 -0.800 1.00 0.00 H new ATOM 0 HA GLU A 41 3.871 5.564 -2.152 1.00 0.00 H new ATOM 0 HB2 GLU A 41 2.965 8.128 -0.937 1.00 0.00 H new ATOM 0 HB3 GLU A 41 3.880 7.872 -2.410 1.00 0.00 H new ATOM 0 HG2 GLU A 41 1.885 6.874 -3.481 1.00 0.00 H new ATOM 0 HG3 GLU A 41 0.969 7.115 -2.007 1.00 0.00 H new ATOM 645 N GLU A 42 4.490 6.357 0.958 1.00 0.00 N ATOM 646 CA GLU A 42 5.419 6.602 2.040 1.00 0.00 C ATOM 647 C GLU A 42 6.208 5.340 2.316 1.00 0.00 C ATOM 648 O GLU A 42 7.436 5.279 2.226 1.00 0.00 O ATOM 649 CB GLU A 42 4.671 7.125 3.235 1.00 0.00 C ATOM 650 CG GLU A 42 5.314 7.258 4.620 1.00 0.00 C ATOM 651 CD GLU A 42 4.881 6.202 5.658 1.00 0.00 C ATOM 652 OE1 GLU A 42 3.672 5.868 5.738 1.00 0.00 O ATOM 653 OE2 GLU A 42 5.764 5.762 6.431 1.00 0.00 O ATOM 0 H GLU A 42 3.531 6.289 1.300 1.00 0.00 H new ATOM 0 HA GLU A 42 6.144 7.370 1.771 1.00 0.00 H new ATOM 0 HB2 GLU A 42 4.307 8.116 2.965 1.00 0.00 H new ATOM 0 HB3 GLU A 42 3.796 6.487 3.358 1.00 0.00 H new ATOM 0 HG2 GLU A 42 6.397 7.206 4.505 1.00 0.00 H new ATOM 0 HG3 GLU A 42 5.082 8.247 5.015 1.00 0.00 H new ATOM 660 N MET A 43 5.426 4.312 2.619 1.00 0.00 N ATOM 661 CA MET A 43 5.802 3.113 3.311 1.00 0.00 C ATOM 662 C MET A 43 7.033 2.476 2.717 1.00 0.00 C ATOM 663 O MET A 43 7.976 2.060 3.390 1.00 0.00 O ATOM 664 CB MET A 43 4.640 2.125 3.186 1.00 0.00 C ATOM 665 CG MET A 43 3.762 2.071 4.401 1.00 0.00 C ATOM 666 SD MET A 43 4.427 1.412 5.938 1.00 0.00 S ATOM 667 CE MET A 43 4.922 2.932 6.776 1.00 0.00 C ATOM 0 H MET A 43 4.439 4.307 2.362 1.00 0.00 H new ATOM 0 HA MET A 43 6.024 3.364 4.348 1.00 0.00 H new ATOM 0 HB2 MET A 43 4.034 2.398 2.322 1.00 0.00 H new ATOM 0 HB3 MET A 43 5.040 1.130 2.993 1.00 0.00 H new ATOM 0 HG2 MET A 43 3.417 3.085 4.601 1.00 0.00 H new ATOM 0 HG3 MET A 43 2.883 1.480 4.144 1.00 0.00 H new ATOM 0 HE1 MET A 43 5.050 2.735 7.840 1.00 0.00 H new ATOM 0 HE2 MET A 43 5.863 3.289 6.357 1.00 0.00 H new ATOM 0 HE3 MET A 43 4.152 3.691 6.637 1.00 0.00 H new ATOM 677 N THR A 44 6.909 2.277 1.417 1.00 0.00 N ATOM 678 CA THR A 44 7.663 1.339 0.628 1.00 0.00 C ATOM 679 C THR A 44 8.694 2.089 -0.221 1.00 0.00 C ATOM 680 O THR A 44 9.399 1.438 -1.000 1.00 0.00 O ATOM 681 CB THR A 44 6.650 0.477 -0.164 1.00 0.00 C ATOM 682 OG1 THR A 44 7.287 -0.273 -1.182 1.00 0.00 O ATOM 683 CG2 THR A 44 5.471 1.319 -0.691 1.00 0.00 C ATOM 0 H THR A 44 6.237 2.801 0.857 1.00 0.00 H new ATOM 0 HA THR A 44 8.255 0.654 1.235 1.00 0.00 H new ATOM 0 HB THR A 44 6.221 -0.247 0.529 1.00 0.00 H new ATOM 0 HG1 THR A 44 8.219 0.017 -1.267 1.00 0.00 H new ATOM 0 HG21 THR A 44 4.783 0.677 -1.241 1.00 0.00 H new ATOM 0 HG22 THR A 44 4.948 1.777 0.148 1.00 0.00 H new ATOM 0 HG23 THR A 44 5.848 2.099 -1.353 1.00 0.00 H new ATOM 691 N GLU A 45 8.764 3.420 -0.096 1.00 0.00 N ATOM 692 CA GLU A 45 9.483 4.339 -0.981 1.00 0.00 C ATOM 693 C GLU A 45 9.213 3.998 -2.460 1.00 0.00 C ATOM 694 O GLU A 45 10.133 3.996 -3.282 1.00 0.00 O ATOM 695 CB GLU A 45 10.983 4.313 -0.664 1.00 0.00 C ATOM 696 CG GLU A 45 11.427 4.630 0.776 1.00 0.00 C ATOM 697 CD GLU A 45 12.822 4.034 0.990 1.00 0.00 C ATOM 698 OE1 GLU A 45 13.719 4.314 0.160 1.00 0.00 O ATOM 699 OE2 GLU A 45 12.963 3.040 1.740 1.00 0.00 O ATOM 0 H GLU A 45 8.295 3.909 0.666 1.00 0.00 H new ATOM 0 HA GLU A 45 9.118 5.351 -0.808 1.00 0.00 H new ATOM 0 HB2 GLU A 45 11.360 3.322 -0.918 1.00 0.00 H new ATOM 0 HB3 GLU A 45 11.476 5.022 -1.329 1.00 0.00 H new ATOM 0 HG2 GLU A 45 11.445 5.708 0.940 1.00 0.00 H new ATOM 0 HG3 GLU A 45 10.721 4.211 1.492 1.00 0.00 H new ATOM 706 N HIS A 46 7.990 3.561 -2.787 1.00 0.00 N ATOM 707 CA HIS A 46 7.754 2.929 -4.073 1.00 0.00 C ATOM 708 C HIS A 46 7.620 3.994 -5.168 1.00 0.00 C ATOM 709 O HIS A 46 6.815 4.905 -4.992 1.00 0.00 O ATOM 710 CB HIS A 46 6.514 2.030 -4.051 1.00 0.00 C ATOM 711 CG HIS A 46 6.257 1.412 -5.404 1.00 0.00 C ATOM 712 ND1 HIS A 46 5.399 1.904 -6.356 1.00 0.00 N ATOM 713 CD2 HIS A 46 6.931 0.364 -5.971 1.00 0.00 C ATOM 714 CE1 HIS A 46 5.536 1.150 -7.464 1.00 0.00 C ATOM 715 NE2 HIS A 46 6.465 0.203 -7.274 1.00 0.00 N ATOM 0 H HIS A 46 7.169 3.635 -2.186 1.00 0.00 H new ATOM 0 HA HIS A 46 8.613 2.294 -4.290 1.00 0.00 H new ATOM 0 HB2 HIS A 46 6.647 1.243 -3.309 1.00 0.00 H new ATOM 0 HB3 HIS A 46 5.645 2.613 -3.745 1.00 0.00 H new ATOM 0 HD1 HIS A 46 4.770 2.699 -6.244 1.00 0.00 H new ATOM 0 HD2 HIS A 46 7.692 -0.234 -5.492 1.00 0.00 H new ATOM 0 HE1 HIS A 46 4.976 1.289 -8.377 1.00 0.00 H new ATOM 723 N PRO A 47 8.293 3.828 -6.325 1.00 0.00 N ATOM 724 CA PRO A 47 8.155 4.698 -7.491 1.00 0.00 C ATOM 725 C PRO A 47 6.731 5.154 -7.797 1.00 0.00 C ATOM 726 O PRO A 47 6.442 6.344 -7.763 1.00 0.00 O ATOM 727 CB PRO A 47 8.771 3.936 -8.672 1.00 0.00 C ATOM 728 CG PRO A 47 9.353 2.652 -8.081 1.00 0.00 C ATOM 729 CD PRO A 47 9.268 2.779 -6.596 1.00 0.00 C ATOM 0 HA PRO A 47 8.672 5.636 -7.287 1.00 0.00 H new ATOM 0 HB2 PRO A 47 8.019 3.712 -9.428 1.00 0.00 H new ATOM 0 HB3 PRO A 47 9.546 4.529 -9.159 1.00 0.00 H new ATOM 0 HG2 PRO A 47 8.796 1.781 -8.426 1.00 0.00 H new ATOM 0 HG3 PRO A 47 10.387 2.515 -8.398 1.00 0.00 H new ATOM 0 HD2 PRO A 47 8.960 1.837 -6.143 1.00 0.00 H new ATOM 0 HD3 PRO A 47 10.239 3.034 -6.172 1.00 0.00 H new ATOM 737 N SER A 48 5.860 4.216 -8.153 1.00 0.00 N ATOM 738 CA SER A 48 4.581 4.503 -8.772 1.00 0.00 C ATOM 739 C SER A 48 3.451 4.628 -7.746 1.00 0.00 C ATOM 740 O SER A 48 2.344 4.273 -8.049 1.00 0.00 O ATOM 741 CB SER A 48 4.281 3.479 -9.883 1.00 0.00 C ATOM 742 OG SER A 48 5.445 2.828 -10.382 1.00 0.00 O ATOM 0 H SER A 48 6.030 3.220 -8.015 1.00 0.00 H new ATOM 0 HA SER A 48 4.644 5.484 -9.244 1.00 0.00 H new ATOM 0 HB2 SER A 48 3.591 2.728 -9.498 1.00 0.00 H new ATOM 0 HB3 SER A 48 3.776 3.985 -10.706 1.00 0.00 H new ATOM 0 HG SER A 48 5.189 2.191 -11.081 1.00 0.00 H new ATOM 748 N GLY A 49 3.707 5.000 -6.502 1.00 0.00 N ATOM 749 CA GLY A 49 2.773 5.320 -5.424 1.00 0.00 C ATOM 750 C GLY A 49 1.456 5.914 -5.925 1.00 0.00 C ATOM 751 O GLY A 49 0.396 5.288 -5.834 1.00 0.00 O ATOM 0 H GLY A 49 4.672 5.096 -6.186 1.00 0.00 H new ATOM 0 HA2 GLY A 49 2.562 4.415 -4.854 1.00 0.00 H new ATOM 0 HA3 GLY A 49 3.245 6.025 -4.740 1.00 0.00 H new ATOM 755 N SER A 50 1.543 7.094 -6.518 1.00 0.00 N ATOM 756 CA SER A 50 0.450 7.828 -7.122 1.00 0.00 C ATOM 757 C SER A 50 -0.179 7.124 -8.334 1.00 0.00 C ATOM 758 O SER A 50 -1.061 7.718 -8.952 1.00 0.00 O ATOM 759 CB SER A 50 1.028 9.195 -7.534 1.00 0.00 C ATOM 760 OG SER A 50 2.257 9.067 -8.242 1.00 0.00 O ATOM 0 H SER A 50 2.431 7.591 -6.593 1.00 0.00 H new ATOM 0 HA SER A 50 -0.363 7.915 -6.401 1.00 0.00 H new ATOM 0 HB2 SER A 50 0.305 9.721 -8.157 1.00 0.00 H new ATOM 0 HB3 SER A 50 1.185 9.805 -6.644 1.00 0.00 H new ATOM 0 HG SER A 50 2.130 8.475 -9.013 1.00 0.00 H new ATOM 766 N ASP A 51 0.219 5.892 -8.694 1.00 0.00 N ATOM 767 CA ASP A 51 0.062 5.313 -9.989 1.00 0.00 C ATOM 768 C ASP A 51 0.040 3.792 -9.810 1.00 0.00 C ATOM 769 O ASP A 51 0.031 3.120 -10.826 1.00 0.00 O ATOM 770 CB ASP A 51 1.272 5.702 -10.872 1.00 0.00 C ATOM 771 CG ASP A 51 1.329 7.155 -11.355 1.00 0.00 C ATOM 772 OD1 ASP A 51 1.769 8.015 -10.556 1.00 0.00 O ATOM 773 OD2 ASP A 51 1.034 7.388 -12.548 1.00 0.00 O ATOM 0 H ASP A 51 0.680 5.261 -8.038 1.00 0.00 H new ATOM 0 HA ASP A 51 -0.855 5.664 -10.463 1.00 0.00 H new ATOM 0 HB2 ASP A 51 2.184 5.493 -10.312 1.00 0.00 H new ATOM 0 HB3 ASP A 51 1.279 5.052 -11.747 1.00 0.00 H new ATOM 778 N LEU A 52 0.055 3.193 -8.595 1.00 0.00 N ATOM 779 CA LEU A 52 -0.147 1.762 -8.425 1.00 0.00 C ATOM 780 C LEU A 52 -1.142 1.526 -7.342 1.00 0.00 C ATOM 781 O LEU A 52 -0.903 0.680 -6.503 1.00 0.00 O ATOM 782 CB LEU A 52 1.123 0.984 -8.110 1.00 0.00 C ATOM 783 CG LEU A 52 2.144 1.333 -7.030 1.00 0.00 C ATOM 784 CD1 LEU A 52 1.701 2.064 -5.785 1.00 0.00 C ATOM 785 CD2 LEU A 52 2.798 0.037 -6.561 1.00 0.00 C ATOM 0 H LEU A 52 0.207 3.697 -7.721 1.00 0.00 H new ATOM 0 HA LEU A 52 -0.506 1.393 -9.386 1.00 0.00 H new ATOM 0 HB2 LEU A 52 0.798 -0.033 -7.891 1.00 0.00 H new ATOM 0 HB3 LEU A 52 1.684 0.945 -9.044 1.00 0.00 H new ATOM 0 HG LEU A 52 2.787 2.049 -7.542 1.00 0.00 H new ATOM 0 HD11 LEU A 52 2.559 2.226 -5.133 1.00 0.00 H new ATOM 0 HD12 LEU A 52 1.270 3.026 -6.062 1.00 0.00 H new ATOM 0 HD13 LEU A 52 0.954 1.469 -5.260 1.00 0.00 H new ATOM 0 HD21 LEU A 52 3.533 0.260 -5.788 1.00 0.00 H new ATOM 0 HD22 LEU A 52 2.036 -0.629 -6.156 1.00 0.00 H new ATOM 0 HD23 LEU A 52 3.293 -0.447 -7.403 1.00 0.00 H new ATOM 797 N ILE A 53 -2.221 2.285 -7.302 1.00 0.00 N ATOM 798 CA ILE A 53 -3.296 2.064 -6.368 1.00 0.00 C ATOM 799 C ILE A 53 -4.622 2.020 -7.151 1.00 0.00 C ATOM 800 O ILE A 53 -5.703 2.027 -6.564 1.00 0.00 O ATOM 801 CB ILE A 53 -3.079 3.053 -5.225 1.00 0.00 C ATOM 802 CG1 ILE A 53 -1.781 2.658 -4.494 1.00 0.00 C ATOM 803 CG2 ILE A 53 -4.260 3.148 -4.273 1.00 0.00 C ATOM 804 CD1 ILE A 53 -1.762 1.355 -3.778 1.00 0.00 C ATOM 0 H ILE A 53 -2.372 3.078 -7.925 1.00 0.00 H new ATOM 0 HA ILE A 53 -3.330 1.101 -5.859 1.00 0.00 H new ATOM 0 HB ILE A 53 -2.987 4.055 -5.644 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -0.973 2.651 -5.225 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -1.551 3.441 -3.772 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -4.036 3.869 -3.486 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -5.144 3.473 -4.821 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -4.448 2.171 -3.828 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -0.787 1.210 -3.312 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -2.536 1.350 -3.010 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -1.949 0.548 -4.486 1.00 0.00 H new ATOM 816 N TYR A 54 -4.529 2.043 -8.493 1.00 0.00 N ATOM 817 CA TYR A 54 -5.632 2.427 -9.362 1.00 0.00 C ATOM 818 C TYR A 54 -5.386 2.448 -10.876 1.00 0.00 C ATOM 819 O TYR A 54 -6.303 2.198 -11.659 1.00 0.00 O ATOM 820 CB TYR A 54 -6.282 3.762 -8.957 1.00 0.00 C ATOM 821 CG TYR A 54 -5.428 4.746 -8.167 1.00 0.00 C ATOM 822 CD1 TYR A 54 -4.065 4.829 -8.465 1.00 0.00 C ATOM 823 CD2 TYR A 54 -5.896 5.386 -6.997 1.00 0.00 C ATOM 824 CE1 TYR A 54 -3.189 5.498 -7.647 1.00 0.00 C ATOM 825 CE2 TYR A 54 -4.998 6.089 -6.164 1.00 0.00 C ATOM 826 CZ TYR A 54 -3.632 6.191 -6.506 1.00 0.00 C ATOM 827 OH TYR A 54 -2.743 6.732 -5.629 1.00 0.00 O ATOM 0 H TYR A 54 -3.678 1.793 -8.997 1.00 0.00 H new ATOM 0 HA TYR A 54 -6.306 1.588 -9.190 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -6.619 4.262 -9.865 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -7.171 3.539 -8.367 1.00 0.00 H new ATOM 0 HD1 TYR A 54 -3.692 4.355 -9.361 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -6.944 5.337 -6.739 1.00 0.00 H new ATOM 0 HE1 TYR A 54 -2.136 5.492 -7.885 1.00 0.00 H new ATOM 0 HE2 TYR A 54 -5.359 6.552 -5.258 1.00 0.00 H new ATOM 0 HH TYR A 54 -3.137 7.526 -5.211 1.00 0.00 H new ATOM 837 N TYR A 55 -4.224 2.949 -11.300 1.00 0.00 N ATOM 838 CA TYR A 55 -3.924 3.216 -12.712 1.00 0.00 C ATOM 839 C TYR A 55 -3.418 1.974 -13.452 1.00 0.00 C ATOM 840 O TYR A 55 -3.801 1.811 -14.615 1.00 0.00 O ATOM 841 CB TYR A 55 -2.902 4.342 -12.907 1.00 0.00 C ATOM 842 CG TYR A 55 -3.183 5.710 -12.314 1.00 0.00 C ATOM 843 CD1 TYR A 55 -4.373 6.034 -11.626 1.00 0.00 C ATOM 844 CD2 TYR A 55 -2.152 6.661 -12.399 1.00 0.00 C ATOM 845 CE1 TYR A 55 -4.467 7.244 -10.915 1.00 0.00 C ATOM 846 CE2 TYR A 55 -2.238 7.869 -11.697 1.00 0.00 C ATOM 847 CZ TYR A 55 -3.375 8.141 -10.910 1.00 0.00 C ATOM 848 OH TYR A 55 -3.369 9.212 -10.077 1.00 0.00 O ATOM 0 H TYR A 55 -3.457 3.183 -10.670 1.00 0.00 H new ATOM 0 HA TYR A 55 -4.879 3.527 -13.136 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -1.952 3.997 -12.499 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -2.759 4.473 -13.980 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -5.211 5.353 -11.646 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -1.286 6.458 -13.011 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -5.370 7.487 -10.375 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -1.436 8.590 -11.758 1.00 0.00 H new ATOM 0 HH TYR A 55 -2.650 9.110 -9.418 1.00 0.00 H new ATOM 858 N PRO A 56 -2.572 1.103 -12.858 1.00 0.00 N ATOM 859 CA PRO A 56 -2.425 -0.262 -13.319 1.00 0.00 C ATOM 860 C PRO A 56 -3.839 -0.834 -13.480 1.00 0.00 C ATOM 861 O PRO A 56 -4.676 -0.569 -12.621 1.00 0.00 O ATOM 862 CB PRO A 56 -1.615 -0.998 -12.248 1.00 0.00 C ATOM 863 CG PRO A 56 -1.968 -0.176 -11.008 1.00 0.00 C ATOM 864 CD PRO A 56 -1.818 1.190 -11.631 1.00 0.00 C ATOM 0 HA PRO A 56 -1.908 -0.355 -14.274 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -1.912 -2.042 -12.150 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -0.546 -0.989 -12.459 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -2.975 -0.370 -10.639 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -1.285 -0.344 -10.175 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -2.208 1.971 -10.978 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -0.772 1.428 -11.822 1.00 0.00 H new ATOM 872 N LYS A 57 -4.153 -1.571 -14.547 1.00 0.00 N ATOM 873 CA LYS A 57 -5.433 -2.266 -14.633 1.00 0.00 C ATOM 874 C LYS A 57 -5.557 -3.292 -15.737 1.00 0.00 C ATOM 875 O LYS A 57 -6.154 -4.355 -15.598 1.00 0.00 O ATOM 876 CB LYS A 57 -6.539 -1.225 -14.842 1.00 0.00 C ATOM 877 CG LYS A 57 -7.900 -1.920 -14.764 1.00 0.00 C ATOM 878 CD LYS A 57 -8.984 -0.872 -14.595 1.00 0.00 C ATOM 879 CE LYS A 57 -9.069 0.065 -15.814 1.00 0.00 C ATOM 880 NZ LYS A 57 -9.420 -0.655 -17.061 1.00 0.00 N ATOM 0 H LYS A 57 -3.544 -1.700 -15.355 1.00 0.00 H new ATOM 0 HA LYS A 57 -5.519 -2.819 -13.697 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -6.470 -0.446 -14.083 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -6.420 -0.739 -15.810 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -8.077 -2.502 -15.668 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -7.918 -2.618 -13.927 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -9.945 -1.364 -14.447 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -8.785 -0.285 -13.698 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -9.814 0.838 -15.623 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -8.112 0.570 -15.947 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -9.008 -0.158 -17.876 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -9.045 -1.624 -17.020 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -10.454 -0.689 -17.163 1.00 0.00 H new ATOM 894 N GLU A 58 -5.010 -2.896 -16.864 1.00 0.00 N ATOM 895 CA GLU A 58 -5.391 -3.443 -18.161 1.00 0.00 C ATOM 896 C GLU A 58 -4.923 -4.757 -18.718 1.00 0.00 C ATOM 897 O GLU A 58 -5.575 -5.507 -19.446 1.00 0.00 O ATOM 898 CB GLU A 58 -5.475 -2.342 -19.157 1.00 0.00 C ATOM 899 CG GLU A 58 -6.689 -2.477 -20.079 1.00 0.00 C ATOM 900 CD GLU A 58 -7.952 -1.939 -19.385 1.00 0.00 C ATOM 901 OE1 GLU A 58 -8.565 -2.667 -18.572 1.00 0.00 O ATOM 902 OE2 GLU A 58 -8.308 -0.747 -19.545 1.00 0.00 O ATOM 0 H GLU A 58 -4.284 -2.182 -16.914 1.00 0.00 H new ATOM 0 HA GLU A 58 -6.346 -3.888 -17.881 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -5.524 -1.387 -18.634 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -4.566 -2.330 -19.758 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -6.513 -1.929 -21.005 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -6.833 -3.523 -20.350 1.00 0.00 H new ATOM 909 N GLY A 59 -3.775 -5.018 -18.231 1.00 0.00 N ATOM 910 CA GLY A 59 -3.134 -6.295 -18.139 1.00 0.00 C ATOM 911 C GLY A 59 -2.146 -6.180 -16.990 1.00 0.00 C ATOM 912 O GLY A 59 -1.133 -6.878 -16.969 1.00 0.00 O ATOM 0 H GLY A 59 -3.191 -4.277 -17.844 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -3.861 -7.085 -17.952 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -2.624 -6.545 -19.070 1.00 0.00 H new ATOM 916 N ASP A 60 -2.450 -5.267 -16.061 1.00 0.00 N ATOM 917 CA ASP A 60 -1.483 -4.681 -15.170 1.00 0.00 C ATOM 918 C ASP A 60 -1.972 -4.887 -13.757 1.00 0.00 C ATOM 919 O ASP A 60 -3.105 -4.573 -13.398 1.00 0.00 O ATOM 920 CB ASP A 60 -1.267 -3.196 -15.512 1.00 0.00 C ATOM 921 CG ASP A 60 -1.131 -2.889 -17.001 1.00 0.00 C ATOM 922 OD1 ASP A 60 -0.006 -2.987 -17.536 1.00 0.00 O ATOM 923 OD2 ASP A 60 -2.192 -2.557 -17.584 1.00 0.00 O ATOM 0 H ASP A 60 -3.398 -4.918 -15.917 1.00 0.00 H new ATOM 0 HA ASP A 60 -0.510 -5.160 -15.278 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -2.103 -2.622 -15.113 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -0.369 -2.848 -15.001 1.00 0.00 H new ATOM 928 N ASP A 61 -1.073 -5.517 -13.026 1.00 0.00 N ATOM 929 CA ASP A 61 -1.140 -5.993 -11.655 1.00 0.00 C ATOM 930 C ASP A 61 -1.592 -4.868 -10.701 1.00 0.00 C ATOM 931 O ASP A 61 -0.778 -4.077 -10.232 1.00 0.00 O ATOM 932 CB ASP A 61 0.167 -6.695 -11.300 1.00 0.00 C ATOM 933 CG ASP A 61 0.134 -7.809 -10.238 1.00 0.00 C ATOM 934 OD1 ASP A 61 -0.941 -8.408 -10.002 1.00 0.00 O ATOM 935 OD2 ASP A 61 1.221 -8.132 -9.696 1.00 0.00 O ATOM 0 H ASP A 61 -0.162 -5.735 -13.431 1.00 0.00 H new ATOM 0 HA ASP A 61 -1.915 -6.751 -11.537 1.00 0.00 H new ATOM 0 HB2 ASP A 61 0.574 -7.122 -12.217 1.00 0.00 H new ATOM 0 HB3 ASP A 61 0.871 -5.935 -10.962 1.00 0.00 H new ATOM 940 N ASP A 62 -2.897 -4.738 -10.434 1.00 0.00 N ATOM 941 CA ASP A 62 -3.501 -3.648 -9.675 1.00 0.00 C ATOM 942 C ASP A 62 -4.428 -4.389 -8.685 1.00 0.00 C ATOM 943 O ASP A 62 -4.022 -4.987 -7.698 1.00 0.00 O ATOM 944 CB ASP A 62 -4.315 -2.780 -10.608 1.00 0.00 C ATOM 945 CG ASP A 62 -5.353 -1.849 -9.957 1.00 0.00 C ATOM 946 OD1 ASP A 62 -4.944 -0.870 -9.299 1.00 0.00 O ATOM 947 OD2 ASP A 62 -6.550 -2.205 -10.084 1.00 0.00 O ATOM 0 H ASP A 62 -3.585 -5.419 -10.756 1.00 0.00 H new ATOM 0 HA ASP A 62 -2.779 -2.998 -9.180 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -3.626 -2.168 -11.190 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -4.835 -3.431 -11.311 1.00 0.00 H new ATOM 952 N SER A 63 -5.687 -4.595 -9.040 1.00 0.00 N ATOM 953 CA SER A 63 -6.774 -4.962 -8.138 1.00 0.00 C ATOM 954 C SER A 63 -6.601 -4.220 -6.783 1.00 0.00 C ATOM 955 O SER A 63 -6.018 -3.145 -6.761 1.00 0.00 O ATOM 956 CB SER A 63 -6.846 -6.492 -8.029 1.00 0.00 C ATOM 957 OG SER A 63 -6.481 -7.131 -9.235 1.00 0.00 O ATOM 0 H SER A 63 -5.995 -4.508 -10.008 1.00 0.00 H new ATOM 0 HA SER A 63 -7.741 -4.642 -8.526 1.00 0.00 H new ATOM 0 HB2 SER A 63 -6.188 -6.829 -7.228 1.00 0.00 H new ATOM 0 HB3 SER A 63 -7.859 -6.788 -7.755 1.00 0.00 H new ATOM 0 HG SER A 63 -6.539 -8.103 -9.121 1.00 0.00 H new ATOM 963 N PRO A 64 -7.055 -4.723 -5.619 1.00 0.00 N ATOM 964 CA PRO A 64 -6.482 -4.258 -4.354 1.00 0.00 C ATOM 965 C PRO A 64 -5.156 -4.907 -4.009 1.00 0.00 C ATOM 966 O PRO A 64 -4.571 -4.602 -2.985 1.00 0.00 O ATOM 967 CB PRO A 64 -7.505 -4.619 -3.299 1.00 0.00 C ATOM 968 CG PRO A 64 -8.266 -5.798 -3.881 1.00 0.00 C ATOM 969 CD PRO A 64 -8.315 -5.399 -5.352 1.00 0.00 C ATOM 0 HA PRO A 64 -6.273 -3.190 -4.420 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -7.025 -4.885 -2.357 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -8.171 -3.782 -3.092 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -7.747 -6.744 -3.725 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -9.260 -5.905 -3.447 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -8.433 -6.274 -5.991 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -9.162 -4.742 -5.551 1.00 0.00 H new ATOM 977 N SER A 65 -4.738 -5.873 -4.806 1.00 0.00 N ATOM 978 CA SER A 65 -3.752 -6.865 -4.448 1.00 0.00 C ATOM 979 C SER A 65 -2.501 -6.949 -5.277 1.00 0.00 C ATOM 980 O SER A 65 -1.423 -6.955 -4.697 1.00 0.00 O ATOM 981 CB SER A 65 -4.490 -8.188 -4.366 1.00 0.00 C ATOM 982 OG SER A 65 -5.471 -8.362 -5.381 1.00 0.00 O ATOM 0 H SER A 65 -5.092 -5.989 -5.756 1.00 0.00 H new ATOM 0 HA SER A 65 -3.321 -6.557 -3.495 1.00 0.00 H new ATOM 0 HB2 SER A 65 -3.767 -9.001 -4.429 1.00 0.00 H new ATOM 0 HB3 SER A 65 -4.972 -8.265 -3.391 1.00 0.00 H new ATOM 0 HG SER A 65 -5.905 -9.233 -5.270 1.00 0.00 H new ATOM 988 N GLY A 66 -2.659 -7.021 -6.582 1.00 0.00 N ATOM 989 CA GLY A 66 -1.708 -6.831 -7.636 1.00 0.00 C ATOM 990 C GLY A 66 -0.981 -5.498 -7.504 1.00 0.00 C ATOM 991 O GLY A 66 0.178 -5.423 -7.872 1.00 0.00 O ATOM 0 H GLY A 66 -3.577 -7.243 -6.967 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -0.982 -7.644 -7.623 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -2.218 -6.874 -8.599 1.00 0.00 H new ATOM 995 N ILE A 67 -1.570 -4.481 -6.875 1.00 0.00 N ATOM 996 CA ILE A 67 -0.881 -3.245 -6.577 1.00 0.00 C ATOM 997 C ILE A 67 0.131 -3.361 -5.473 1.00 0.00 C ATOM 998 O ILE A 67 1.295 -2.976 -5.574 1.00 0.00 O ATOM 999 CB ILE A 67 -1.865 -2.116 -6.224 1.00 0.00 C ATOM 1000 CG1 ILE A 67 -2.966 -2.507 -5.249 1.00 0.00 C ATOM 1001 CG2 ILE A 67 -2.462 -1.486 -7.466 1.00 0.00 C ATOM 1002 CD1 ILE A 67 -4.100 -1.466 -5.109 1.00 0.00 C ATOM 0 H ILE A 67 -2.540 -4.500 -6.561 1.00 0.00 H new ATOM 0 HA ILE A 67 -0.345 -3.005 -7.495 1.00 0.00 H new ATOM 0 HB ILE A 67 -1.253 -1.380 -5.701 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -3.398 -3.455 -5.570 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -2.522 -2.675 -4.268 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -3.152 -0.693 -7.176 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -1.665 -1.067 -8.080 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -2.999 -2.244 -8.036 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -4.840 -1.828 -4.395 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -3.686 -0.522 -4.756 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -4.576 -1.313 -6.078 1.00 0.00 H new ATOM 1014 N VAL A 68 -0.313 -3.975 -4.401 1.00 0.00 N ATOM 1015 CA VAL A 68 0.537 -4.253 -3.262 1.00 0.00 C ATOM 1016 C VAL A 68 1.597 -5.220 -3.746 1.00 0.00 C ATOM 1017 O VAL A 68 2.758 -5.185 -3.360 1.00 0.00 O ATOM 1018 CB VAL A 68 -0.332 -4.815 -2.129 1.00 0.00 C ATOM 1019 CG1 VAL A 68 0.312 -4.597 -0.757 1.00 0.00 C ATOM 1020 CG2 VAL A 68 -1.651 -4.074 -2.109 1.00 0.00 C ATOM 0 H VAL A 68 -1.275 -4.297 -4.292 1.00 0.00 H new ATOM 0 HA VAL A 68 1.031 -3.368 -2.861 1.00 0.00 H new ATOM 0 HB VAL A 68 -0.455 -5.883 -2.312 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -0.334 -5.009 0.018 1.00 0.00 H new ATOM 0 HG12 VAL A 68 1.280 -5.097 -0.726 1.00 0.00 H new ATOM 0 HG13 VAL A 68 0.450 -3.529 -0.585 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -2.276 -4.466 -1.307 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -1.469 -3.012 -1.942 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -2.159 -4.209 -3.064 1.00 0.00 H new ATOM 1030 N ASN A 69 1.174 -6.044 -4.680 1.00 0.00 N ATOM 1031 CA ASN A 69 1.959 -6.939 -5.497 1.00 0.00 C ATOM 1032 C ASN A 69 2.935 -6.235 -6.387 1.00 0.00 C ATOM 1033 O ASN A 69 4.046 -6.723 -6.498 1.00 0.00 O ATOM 1034 CB ASN A 69 1.088 -7.872 -6.239 1.00 0.00 C ATOM 1035 CG ASN A 69 0.765 -9.171 -5.511 1.00 0.00 C ATOM 1036 OD1 ASN A 69 1.231 -9.449 -4.397 1.00 0.00 O ATOM 1037 ND2 ASN A 69 -0.111 -9.958 -6.102 1.00 0.00 N ATOM 0 H ASN A 69 0.181 -6.109 -4.906 1.00 0.00 H new ATOM 0 HA ASN A 69 2.576 -7.526 -4.816 1.00 0.00 H new ATOM 0 HB2 ASN A 69 0.153 -7.363 -6.474 1.00 0.00 H new ATOM 0 HB3 ASN A 69 1.566 -8.115 -7.188 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -0.418 -10.815 -5.642 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -0.482 -9.710 -7.019 1.00 0.00 H new ATOM 1044 N THR A 70 2.608 -5.093 -6.961 1.00 0.00 N ATOM 1045 CA THR A 70 3.531 -4.403 -7.819 1.00 0.00 C ATOM 1046 C THR A 70 4.685 -3.926 -6.950 1.00 0.00 C ATOM 1047 O THR A 70 5.867 -4.057 -7.289 1.00 0.00 O ATOM 1048 CB THR A 70 2.839 -3.218 -8.498 1.00 0.00 C ATOM 1049 OG1 THR A 70 1.938 -3.686 -9.471 1.00 0.00 O ATOM 1050 CG2 THR A 70 3.794 -2.289 -9.261 1.00 0.00 C ATOM 0 H THR A 70 1.707 -4.629 -6.844 1.00 0.00 H new ATOM 0 HA THR A 70 3.896 -5.063 -8.606 1.00 0.00 H new ATOM 0 HB THR A 70 2.366 -2.670 -7.684 1.00 0.00 H new ATOM 0 HG1 THR A 70 1.279 -4.276 -9.050 1.00 0.00 H new ATOM 0 HG21 THR A 70 3.227 -1.475 -9.713 1.00 0.00 H new ATOM 0 HG22 THR A 70 4.531 -1.878 -8.571 1.00 0.00 H new ATOM 0 HG23 THR A 70 4.304 -2.853 -10.042 1.00 0.00 H new ATOM 1058 N VAL A 71 4.325 -3.467 -5.749 1.00 0.00 N ATOM 1059 CA VAL A 71 5.290 -3.194 -4.716 1.00 0.00 C ATOM 1060 C VAL A 71 6.080 -4.431 -4.481 1.00 0.00 C ATOM 1061 O VAL A 71 7.288 -4.371 -4.514 1.00 0.00 O ATOM 1062 CB VAL A 71 4.624 -2.679 -3.431 1.00 0.00 C ATOM 1063 CG1 VAL A 71 5.071 -3.212 -2.072 1.00 0.00 C ATOM 1064 CG2 VAL A 71 4.999 -1.234 -3.442 1.00 0.00 C ATOM 0 H VAL A 71 3.359 -3.280 -5.480 1.00 0.00 H new ATOM 0 HA VAL A 71 5.957 -2.394 -5.039 1.00 0.00 H new ATOM 0 HB VAL A 71 3.578 -2.982 -3.481 1.00 0.00 H new ATOM 0 HG11 VAL A 71 4.489 -2.734 -1.284 1.00 0.00 H new ATOM 0 HG12 VAL A 71 4.915 -4.290 -2.035 1.00 0.00 H new ATOM 0 HG13 VAL A 71 6.129 -2.993 -1.925 1.00 0.00 H new ATOM 0 HG21 VAL A 71 4.580 -0.743 -2.564 1.00 0.00 H new ATOM 0 HG22 VAL A 71 6.085 -1.140 -3.427 1.00 0.00 H new ATOM 0 HG23 VAL A 71 4.607 -0.763 -4.343 1.00 0.00 H new ATOM 1074 N LYS A 72 5.424 -5.560 -4.312 1.00 0.00 N ATOM 1075 CA LYS A 72 6.068 -6.840 -3.989 1.00 0.00 C ATOM 1076 C LYS A 72 7.112 -7.356 -4.952 1.00 0.00 C ATOM 1077 O LYS A 72 7.648 -8.438 -4.764 1.00 0.00 O ATOM 1078 CB LYS A 72 5.026 -7.928 -3.808 1.00 0.00 C ATOM 1079 CG LYS A 72 5.143 -8.309 -2.358 1.00 0.00 C ATOM 1080 CD LYS A 72 4.441 -7.192 -1.592 1.00 0.00 C ATOM 1081 CE LYS A 72 2.942 -7.356 -1.232 1.00 0.00 C ATOM 1082 NZ LYS A 72 2.312 -8.637 -1.651 1.00 0.00 N ATOM 0 H LYS A 72 4.410 -5.627 -4.394 1.00 0.00 H new ATOM 0 HA LYS A 72 6.608 -6.607 -3.071 1.00 0.00 H new ATOM 0 HB2 LYS A 72 4.026 -7.566 -4.046 1.00 0.00 H new ATOM 0 HB3 LYS A 72 5.220 -8.779 -4.461 1.00 0.00 H new ATOM 0 HG2 LYS A 72 4.674 -9.274 -2.165 1.00 0.00 H new ATOM 0 HG3 LYS A 72 6.187 -8.397 -2.057 1.00 0.00 H new ATOM 0 HD2 LYS A 72 4.988 -7.036 -0.662 1.00 0.00 H new ATOM 0 HD3 LYS A 72 4.541 -6.278 -2.177 1.00 0.00 H new ATOM 0 HE2 LYS A 72 2.834 -7.256 -0.152 1.00 0.00 H new ATOM 0 HE3 LYS A 72 2.387 -6.535 -1.685 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 1.322 -8.657 -1.333 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 2.344 -8.717 -2.687 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 2.829 -9.433 -1.226 1.00 0.00 H new ATOM 1096 N GLN A 73 7.323 -6.591 -5.991 1.00 0.00 N ATOM 1097 CA GLN A 73 8.115 -6.791 -7.148 1.00 0.00 C ATOM 1098 C GLN A 73 9.185 -5.714 -7.234 1.00 0.00 C ATOM 1099 O GLN A 73 10.364 -6.037 -7.219 1.00 0.00 O ATOM 1100 CB GLN A 73 7.234 -6.988 -8.392 1.00 0.00 C ATOM 1101 CG GLN A 73 6.312 -8.169 -8.076 1.00 0.00 C ATOM 1102 CD GLN A 73 5.317 -8.554 -9.166 1.00 0.00 C ATOM 1103 OE1 GLN A 73 5.687 -9.151 -10.170 1.00 0.00 O ATOM 1104 NE2 GLN A 73 4.054 -8.237 -8.923 1.00 0.00 N ATOM 0 H GLN A 73 6.867 -5.680 -6.036 1.00 0.00 H new ATOM 0 HA GLN A 73 8.671 -7.726 -7.084 1.00 0.00 H new ATOM 0 HB2 GLN A 73 6.656 -6.089 -8.607 1.00 0.00 H new ATOM 0 HB3 GLN A 73 7.843 -7.194 -9.272 1.00 0.00 H new ATOM 0 HG2 GLN A 73 6.931 -9.038 -7.854 1.00 0.00 H new ATOM 0 HG3 GLN A 73 5.754 -7.936 -7.169 1.00 0.00 H new ATOM 0 HE21 GLN A 73 3.809 -7.739 -8.067 1.00 0.00 H new ATOM 0 HE22 GLN A 73 3.327 -8.491 -9.591 1.00 0.00 H new ATOM 1113 N TRP A 74 8.806 -4.441 -7.164 1.00 0.00 N ATOM 1114 CA TRP A 74 9.689 -3.309 -6.934 1.00 0.00 C ATOM 1115 C TRP A 74 10.406 -3.490 -5.610 1.00 0.00 C ATOM 1116 O TRP A 74 11.575 -3.807 -5.581 1.00 0.00 O ATOM 1117 CB TRP A 74 8.981 -1.990 -7.001 1.00 0.00 C ATOM 1118 CG TRP A 74 10.016 -0.909 -7.103 1.00 0.00 C ATOM 1119 CD1 TRP A 74 10.528 -0.487 -8.268 1.00 0.00 C ATOM 1120 CD2 TRP A 74 10.721 -0.136 -6.096 1.00 0.00 C ATOM 1121 NE1 TRP A 74 11.604 0.340 -8.074 1.00 0.00 N ATOM 1122 CE2 TRP A 74 11.710 0.672 -6.749 1.00 0.00 C ATOM 1123 CE3 TRP A 74 10.547 0.066 -4.720 1.00 0.00 C ATOM 1124 CZ2 TRP A 74 12.473 1.641 -6.086 1.00 0.00 C ATOM 1125 CZ3 TRP A 74 11.233 1.101 -4.093 1.00 0.00 C ATOM 1126 CH2 TRP A 74 12.209 1.877 -4.733 1.00 0.00 C ATOM 0 H TRP A 74 7.831 -4.161 -7.271 1.00 0.00 H new ATOM 0 HA TRP A 74 10.421 -3.288 -7.742 1.00 0.00 H new ATOM 0 HB2 TRP A 74 8.313 -1.960 -7.862 1.00 0.00 H new ATOM 0 HB3 TRP A 74 8.364 -1.844 -6.114 1.00 0.00 H new ATOM 0 HD1 TRP A 74 10.141 -0.764 -9.238 1.00 0.00 H new ATOM 0 HE1 TRP A 74 12.234 0.661 -8.809 1.00 0.00 H new ATOM 0 HE3 TRP A 74 9.888 -0.575 -4.153 1.00 0.00 H new ATOM 0 HZ2 TRP A 74 13.244 2.191 -6.605 1.00 0.00 H new ATOM 0 HZ3 TRP A 74 11.002 1.318 -3.061 1.00 0.00 H new ATOM 0 HH2 TRP A 74 12.746 2.642 -4.192 1.00 0.00 H new ATOM 1137 N ARG A 75 9.709 -3.406 -4.489 1.00 0.00 N ATOM 1138 CA ARG A 75 10.136 -3.739 -3.140 1.00 0.00 C ATOM 1139 C ARG A 75 10.736 -5.123 -3.008 1.00 0.00 C ATOM 1140 O ARG A 75 11.287 -5.397 -1.953 1.00 0.00 O ATOM 1141 CB ARG A 75 8.868 -3.738 -2.259 1.00 0.00 C ATOM 1142 CG ARG A 75 9.058 -3.625 -0.753 1.00 0.00 C ATOM 1143 CD ARG A 75 7.935 -4.269 0.056 1.00 0.00 C ATOM 1144 NE ARG A 75 7.625 -5.698 -0.223 1.00 0.00 N ATOM 1145 CZ ARG A 75 8.413 -6.764 -0.007 1.00 0.00 C ATOM 1146 NH1 ARG A 75 9.729 -6.641 -0.034 1.00 0.00 N ATOM 1147 NH2 ARG A 75 7.908 -7.970 0.238 1.00 0.00 N ATOM 0 H ARG A 75 8.745 -3.074 -4.501 1.00 0.00 H new ATOM 0 HA ARG A 75 10.898 -3.014 -2.854 1.00 0.00 H new ATOM 0 HB2 ARG A 75 8.235 -2.911 -2.581 1.00 0.00 H new ATOM 0 HB3 ARG A 75 8.318 -4.657 -2.460 1.00 0.00 H new ATOM 0 HG2 ARG A 75 10.005 -4.091 -0.479 1.00 0.00 H new ATOM 0 HG3 ARG A 75 9.131 -2.572 -0.483 1.00 0.00 H new ATOM 0 HD2 ARG A 75 8.186 -4.178 1.113 1.00 0.00 H new ATOM 0 HD3 ARG A 75 7.027 -3.689 -0.107 1.00 0.00 H new ATOM 0 HE ARG A 75 6.707 -5.890 -0.625 1.00 0.00 H new ATOM 0 HH11 ARG A 75 10.153 -5.732 -0.220 1.00 0.00 H new ATOM 0 HH12 ARG A 75 10.321 -7.455 0.131 1.00 0.00 H new ATOM 0 HH21 ARG A 75 6.897 -8.104 0.266 1.00 0.00 H new ATOM 0 HH22 ARG A 75 8.532 -8.761 0.398 1.00 0.00 H new ATOM 1161 N ALA A 76 10.632 -6.005 -3.988 1.00 0.00 N ATOM 1162 CA ALA A 76 11.363 -7.266 -3.935 1.00 0.00 C ATOM 1163 C ALA A 76 12.642 -7.270 -4.731 1.00 0.00 C ATOM 1164 O ALA A 76 13.580 -7.986 -4.394 1.00 0.00 O ATOM 1165 CB ALA A 76 10.483 -8.447 -4.300 1.00 0.00 C ATOM 0 H ALA A 76 10.057 -5.877 -4.821 1.00 0.00 H new ATOM 0 HA ALA A 76 11.663 -7.374 -2.893 1.00 0.00 H new ATOM 0 HB1 ALA A 76 11.067 -9.366 -4.248 1.00 0.00 H new ATOM 0 HB2 ALA A 76 9.648 -8.508 -3.602 1.00 0.00 H new ATOM 0 HB3 ALA A 76 10.101 -8.317 -5.313 1.00 0.00 H new ATOM 1171 N ALA A 77 12.697 -6.411 -5.727 1.00 0.00 N ATOM 1172 CA ALA A 77 13.836 -6.300 -6.622 1.00 0.00 C ATOM 1173 C ALA A 77 14.808 -5.244 -6.161 1.00 0.00 C ATOM 1174 O ALA A 77 16.024 -5.376 -6.247 1.00 0.00 O ATOM 1175 CB ALA A 77 13.328 -5.961 -8.024 1.00 0.00 C ATOM 0 H ALA A 77 11.942 -5.760 -5.943 1.00 0.00 H new ATOM 0 HA ALA A 77 14.367 -7.252 -6.628 1.00 0.00 H new ATOM 0 HB1 ALA A 77 14.174 -5.875 -8.706 1.00 0.00 H new ATOM 0 HB2 ALA A 77 12.661 -6.751 -8.370 1.00 0.00 H new ATOM 0 HB3 ALA A 77 12.786 -5.015 -7.996 1.00 0.00 H new ATOM 1181 N ASN A 78 14.215 -4.202 -5.616 1.00 0.00 N ATOM 1182 CA ASN A 78 14.804 -3.226 -4.763 1.00 0.00 C ATOM 1183 C ASN A 78 15.027 -3.780 -3.367 1.00 0.00 C ATOM 1184 O ASN A 78 15.761 -3.231 -2.557 1.00 0.00 O ATOM 1185 CB ASN A 78 13.837 -2.049 -4.786 1.00 0.00 C ATOM 1186 CG ASN A 78 14.644 -0.761 -4.634 1.00 0.00 C ATOM 1187 OD1 ASN A 78 15.016 -0.342 -3.549 1.00 0.00 O ATOM 1188 ND2 ASN A 78 15.008 -0.136 -5.740 1.00 0.00 N ATOM 0 H ASN A 78 13.226 -4.013 -5.781 1.00 0.00 H new ATOM 0 HA ASN A 78 15.795 -2.921 -5.099 1.00 0.00 H new ATOM 0 HB2 ASN A 78 13.276 -2.037 -5.720 1.00 0.00 H new ATOM 0 HB3 ASN A 78 13.110 -2.139 -3.979 1.00 0.00 H new ATOM 0 HD21 ASN A 78 15.598 0.694 -5.686 1.00 0.00 H new ATOM 0 HD22 ASN A 78 14.699 -0.484 -6.648 1.00 0.00 H new ATOM 1195 N GLY A 79 14.373 -4.909 -3.123 1.00 0.00 N ATOM 1196 CA GLY A 79 14.565 -5.776 -1.973 1.00 0.00 C ATOM 1197 C GLY A 79 14.168 -5.059 -0.696 1.00 0.00 C ATOM 1198 O GLY A 79 14.696 -5.384 0.362 1.00 0.00 O ATOM 0 H GLY A 79 13.656 -5.261 -3.758 1.00 0.00 H new ATOM 0 HA2 GLY A 79 13.969 -6.681 -2.089 1.00 0.00 H new ATOM 0 HA3 GLY A 79 15.608 -6.086 -1.914 1.00 0.00 H new ATOM 1202 N LYS A 80 13.276 -4.063 -0.821 1.00 0.00 N ATOM 1203 CA LYS A 80 13.122 -3.007 0.204 1.00 0.00 C ATOM 1204 C LYS A 80 13.096 -3.446 1.665 1.00 0.00 C ATOM 1205 O LYS A 80 13.586 -2.774 2.566 1.00 0.00 O ATOM 1206 CB LYS A 80 11.991 -2.019 0.037 1.00 0.00 C ATOM 1207 CG LYS A 80 11.969 -1.534 -1.383 1.00 0.00 C ATOM 1208 CD LYS A 80 12.741 -0.375 -1.678 1.00 0.00 C ATOM 1209 CE LYS A 80 12.330 0.818 -0.903 1.00 0.00 C ATOM 1210 NZ LYS A 80 13.461 1.697 -0.543 1.00 0.00 N ATOM 0 H LYS A 80 12.649 -3.963 -1.619 1.00 0.00 H new ATOM 0 HA LYS A 80 14.067 -2.511 -0.016 1.00 0.00 H new ATOM 0 HB2 LYS A 80 11.040 -2.489 0.289 1.00 0.00 H new ATOM 0 HB3 LYS A 80 12.121 -1.179 0.719 1.00 0.00 H new ATOM 0 HG2 LYS A 80 12.315 -2.345 -2.024 1.00 0.00 H new ATOM 0 HG3 LYS A 80 10.934 -1.331 -1.657 1.00 0.00 H new ATOM 0 HD2 LYS A 80 13.791 -0.586 -1.476 1.00 0.00 H new ATOM 0 HD3 LYS A 80 12.659 -0.154 -2.742 1.00 0.00 H new ATOM 0 HE2 LYS A 80 11.606 1.389 -1.484 1.00 0.00 H new ATOM 0 HE3 LYS A 80 11.825 0.495 0.008 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 13.493 1.816 0.490 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 14.351 1.269 -0.870 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 13.337 2.625 -0.995 1.00 0.00 H new ATOM 1224 N SER A 81 12.359 -4.521 1.856 1.00 0.00 N ATOM 1225 CA SER A 81 11.748 -4.972 3.087 1.00 0.00 C ATOM 1226 C SER A 81 11.169 -6.353 2.891 1.00 0.00 C ATOM 1227 O SER A 81 11.487 -7.113 1.975 1.00 0.00 O ATOM 1228 CB SER A 81 10.725 -3.914 3.489 1.00 0.00 C ATOM 1229 OG SER A 81 9.959 -3.484 2.387 1.00 0.00 O ATOM 0 H SER A 81 12.155 -5.156 1.085 1.00 0.00 H new ATOM 0 HA SER A 81 12.465 -5.075 3.901 1.00 0.00 H new ATOM 0 HB2 SER A 81 10.064 -4.319 4.255 1.00 0.00 H new ATOM 0 HB3 SER A 81 11.239 -3.060 3.930 1.00 0.00 H new ATOM 0 HG SER A 81 10.191 -2.557 2.169 1.00 0.00 H new ATOM 1235 N GLY A 82 10.351 -6.673 3.866 1.00 0.00 N ATOM 1236 CA GLY A 82 9.905 -7.995 4.204 1.00 0.00 C ATOM 1237 C GLY A 82 9.011 -7.981 5.426 1.00 0.00 C ATOM 1238 O GLY A 82 8.783 -9.007 6.056 1.00 0.00 O ATOM 0 H GLY A 82 9.955 -5.964 4.484 1.00 0.00 H new ATOM 0 HA2 GLY A 82 9.364 -8.425 3.361 1.00 0.00 H new ATOM 0 HA3 GLY A 82 10.767 -8.635 4.390 1.00 0.00 H new ATOM 1242 N PHE A 83 8.505 -6.790 5.715 1.00 0.00 N ATOM 1243 CA PHE A 83 7.472 -6.472 6.618 1.00 0.00 C ATOM 1244 C PHE A 83 7.714 -7.037 8.009 1.00 0.00 C ATOM 1245 O PHE A 83 8.613 -6.664 8.757 1.00 0.00 O ATOM 1246 CB PHE A 83 6.148 -6.869 5.953 1.00 0.00 C ATOM 1247 CG PHE A 83 5.682 -6.157 4.730 1.00 0.00 C ATOM 1248 CD1 PHE A 83 6.098 -6.633 3.496 1.00 0.00 C ATOM 1249 CD2 PHE A 83 4.664 -5.196 4.791 1.00 0.00 C ATOM 1250 CE1 PHE A 83 5.629 -6.042 2.328 1.00 0.00 C ATOM 1251 CE2 PHE A 83 4.180 -4.626 3.609 1.00 0.00 C ATOM 1252 CZ PHE A 83 4.664 -5.017 2.346 1.00 0.00 C ATOM 0 H PHE A 83 8.866 -5.952 5.259 1.00 0.00 H new ATOM 0 HA PHE A 83 7.435 -5.401 6.818 1.00 0.00 H new ATOM 0 HB2 PHE A 83 6.216 -7.928 5.705 1.00 0.00 H new ATOM 0 HB3 PHE A 83 5.365 -6.767 6.705 1.00 0.00 H new ATOM 0 HD1 PHE A 83 6.787 -7.463 3.442 1.00 0.00 H new ATOM 0 HD2 PHE A 83 4.256 -4.897 5.745 1.00 0.00 H new ATOM 0 HE1 PHE A 83 6.017 -6.379 1.378 1.00 0.00 H new ATOM 0 HE2 PHE A 83 3.415 -3.866 3.667 1.00 0.00 H new ATOM 0 HZ PHE A 83 4.312 -4.554 1.436 1.00 0.00 H new ATOM 1262 N LYS A 84 6.779 -7.900 8.292 1.00 0.00 N ATOM 1263 CA LYS A 84 6.193 -8.498 9.418 1.00 0.00 C ATOM 1264 C LYS A 84 5.465 -9.697 8.826 1.00 0.00 C ATOM 1265 O LYS A 84 5.273 -9.817 7.612 1.00 0.00 O ATOM 1266 CB LYS A 84 5.418 -7.455 10.158 1.00 0.00 C ATOM 1267 CG LYS A 84 5.168 -7.923 11.585 1.00 0.00 C ATOM 1268 CD LYS A 84 4.602 -6.796 12.409 1.00 0.00 C ATOM 1269 CE LYS A 84 3.127 -6.438 12.174 1.00 0.00 C ATOM 1270 NZ LYS A 84 2.120 -7.361 12.733 1.00 0.00 N ATOM 0 H LYS A 84 6.295 -8.289 7.483 1.00 0.00 H new ATOM 0 HA LYS A 84 6.846 -8.877 10.204 1.00 0.00 H new ATOM 0 HB2 LYS A 84 5.968 -6.514 10.164 1.00 0.00 H new ATOM 0 HB3 LYS A 84 4.470 -7.266 9.655 1.00 0.00 H new ATOM 0 HG2 LYS A 84 4.476 -8.765 11.584 1.00 0.00 H new ATOM 0 HG3 LYS A 84 6.099 -8.276 12.028 1.00 0.00 H new ATOM 0 HD2 LYS A 84 4.726 -7.050 13.462 1.00 0.00 H new ATOM 0 HD3 LYS A 84 5.201 -5.905 12.223 1.00 0.00 H new ATOM 0 HE2 LYS A 84 2.948 -5.447 12.591 1.00 0.00 H new ATOM 0 HE3 LYS A 84 2.962 -6.366 11.099 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 1.339 -7.475 12.055 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 2.559 -8.286 12.914 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 1.751 -6.973 13.624 1.00 0.00 H new ATOM 1284 N GLN A 85 5.054 -10.580 9.701 1.00 0.00 N ATOM 1285 CA GLN A 85 4.443 -11.862 9.377 1.00 0.00 C ATOM 1286 C GLN A 85 3.038 -11.997 9.903 1.00 0.00 C ATOM 1287 O GLN A 85 2.102 -12.181 9.128 1.00 0.00 O ATOM 1288 CB GLN A 85 5.325 -13.027 9.642 1.00 0.00 C ATOM 1289 CG GLN A 85 5.712 -13.913 8.452 1.00 0.00 C ATOM 1290 CD GLN A 85 4.646 -14.932 8.026 1.00 0.00 C ATOM 1291 OE1 GLN A 85 4.954 -16.101 7.837 1.00 0.00 O ATOM 1292 NE2 GLN A 85 3.383 -14.558 7.866 1.00 0.00 N ATOM 0 H GLN A 85 5.136 -10.426 10.706 1.00 0.00 H new ATOM 0 HA GLN A 85 4.327 -11.871 8.293 1.00 0.00 H new ATOM 0 HB2 GLN A 85 6.244 -12.656 10.096 1.00 0.00 H new ATOM 0 HB3 GLN A 85 4.834 -13.657 10.384 1.00 0.00 H new ATOM 0 HG2 GLN A 85 5.941 -13.272 7.601 1.00 0.00 H new ATOM 0 HG3 GLN A 85 6.627 -14.450 8.701 1.00 0.00 H new ATOM 0 HE21 GLN A 85 3.115 -13.586 8.021 1.00 0.00 H new ATOM 0 HE22 GLN A 85 2.680 -15.243 7.588 1.00 0.00 H new ATOM 1301 N GLY A 86 2.953 -11.907 11.216 1.00 0.00 N ATOM 1302 CA GLY A 86 1.740 -11.733 11.980 1.00 0.00 C ATOM 1303 C GLY A 86 1.915 -10.461 12.784 1.00 0.00 C ATOM 1304 O GLY A 86 0.907 -9.808 13.092 1.00 0.00 O ATOM 1305 OXT GLY A 86 3.077 -10.043 12.982 1.00 0.00 O ATOM 0 H GLY A 86 3.780 -11.957 11.810 1.00 0.00 H new ATOM 0 HA2 GLY A 86 0.874 -11.659 11.322 1.00 0.00 H new ATOM 0 HA3 GLY A 86 1.570 -12.586 12.637 1.00 0.00 H new