USER MOD reduce.3.24.130724 H: found=0, std=0, add=554, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 551 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 56 HIS : no HE2:sc= -17.5! C(o=-19!,f=-18!) USER MOD Set 1.2: A 58 TYR OH : rot 31:sc= -1.7 USER MOD Set 2.1: A 14 HIS : no HD1:sc= -4.5! C(o=-4!,f=-11!) USER MOD Set 2.2: A 21 GLN : amide:sc= 0.533 K(o=-4,f=-10!) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 SER OG : rot 79:sc= 1.25 USER MOD Single : A 26 HIS : no HE2:sc= -12.3! C(o=-12!,f=-13!) USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 THR OG1 : rot -99:sc= -0.458 USER MOD Single : A 44 SER OG : rot -12:sc= 0.454! USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 64 TYR OH : rot 0:sc= -0.627 USER MOD Single : A 65 HIS : no HD1:sc= -0.761 X(o=-0.76,f=-0.26) USER MOD Single : A 67 THR OG1 : rot 180:sc= -1.43! USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 81 THR OG1 : rot 140:sc= -0.931 USER MOD Single : A 84 GLN : amide:sc= -0.199 K(o=-0.2,f=-2.2!) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 8 -4.385 10.223 -9.094 1.00 0.00 N ATOM 2 CA ALA A 8 -3.776 9.766 -10.373 1.00 0.00 C ATOM 3 C ALA A 8 -4.500 8.501 -10.832 1.00 0.00 C ATOM 4 O ALA A 8 -5.089 7.793 -10.040 1.00 0.00 O ATOM 5 CB ALA A 8 -2.285 9.487 -10.156 1.00 0.00 C ATOM 0 HA ALA A 8 -3.875 10.535 -11.139 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -1.838 9.152 -11.092 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -1.789 10.398 -9.822 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -2.166 8.712 -9.399 1.00 0.00 H new ATOM 11 N THR A 9 -4.481 8.221 -12.103 1.00 0.00 N ATOM 12 CA THR A 9 -5.185 7.014 -12.605 1.00 0.00 C ATOM 13 C THR A 9 -4.433 5.771 -12.157 1.00 0.00 C ATOM 14 O THR A 9 -3.226 5.785 -11.983 1.00 0.00 O ATOM 15 CB THR A 9 -5.287 7.058 -14.129 1.00 0.00 C ATOM 16 OG1 THR A 9 -6.442 6.343 -14.542 1.00 0.00 O ATOM 17 CG2 THR A 9 -4.046 6.431 -14.763 1.00 0.00 C ATOM 0 H THR A 9 -4.008 8.777 -12.816 1.00 0.00 H new ATOM 0 HA THR A 9 -6.195 6.987 -12.197 1.00 0.00 H new ATOM 0 HB THR A 9 -5.359 8.097 -14.450 1.00 0.00 H new ATOM 0 HG1 THR A 9 -6.512 6.370 -15.519 1.00 0.00 H new ATOM 0 HG21 THR A 9 -4.133 6.470 -15.849 1.00 0.00 H new ATOM 0 HG22 THR A 9 -3.159 6.983 -14.450 1.00 0.00 H new ATOM 0 HG23 THR A 9 -3.959 5.393 -14.443 1.00 0.00 H new ATOM 25 N LEU A 10 -5.162 4.712 -11.946 1.00 0.00 N ATOM 26 CA LEU A 10 -4.564 3.437 -11.469 1.00 0.00 C ATOM 27 C LEU A 10 -4.104 2.590 -12.655 1.00 0.00 C ATOM 28 O LEU A 10 -4.912 2.055 -13.388 1.00 0.00 O ATOM 29 CB LEU A 10 -5.639 2.652 -10.704 1.00 0.00 C ATOM 30 CG LEU A 10 -6.043 3.392 -9.423 1.00 0.00 C ATOM 31 CD1 LEU A 10 -6.758 4.706 -9.761 1.00 0.00 C ATOM 32 CD2 LEU A 10 -6.989 2.506 -8.612 1.00 0.00 C ATOM 0 H LEU A 10 -6.171 4.677 -12.088 1.00 0.00 H new ATOM 0 HA LEU A 10 -3.709 3.659 -10.830 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -6.514 2.510 -11.339 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -5.263 1.660 -10.454 1.00 0.00 H new ATOM 0 HG LEU A 10 -5.144 3.617 -8.848 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -7.037 5.216 -8.839 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -6.092 5.344 -10.342 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -7.655 4.493 -10.343 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -7.281 3.025 -7.699 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -7.877 2.285 -9.204 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -6.484 1.575 -8.354 1.00 0.00 H new ATOM 44 N VAL A 11 -2.821 2.443 -12.847 1.00 0.00 N ATOM 45 CA VAL A 11 -2.342 1.605 -13.978 1.00 0.00 C ATOM 46 C VAL A 11 -1.379 0.551 -13.438 1.00 0.00 C ATOM 47 O VAL A 11 -0.251 0.843 -13.118 1.00 0.00 O ATOM 48 CB VAL A 11 -1.629 2.483 -14.995 1.00 0.00 C ATOM 49 CG1 VAL A 11 -1.798 1.875 -16.391 1.00 0.00 C ATOM 50 CG2 VAL A 11 -2.242 3.885 -14.975 1.00 0.00 C ATOM 0 H VAL A 11 -2.090 2.864 -12.273 1.00 0.00 H new ATOM 0 HA VAL A 11 -3.187 1.116 -14.462 1.00 0.00 H new ATOM 0 HB VAL A 11 -0.569 2.546 -14.747 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -1.289 2.500 -17.124 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -1.367 0.874 -16.406 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -2.858 1.818 -16.637 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -1.732 4.515 -15.703 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -3.301 3.823 -15.227 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -2.131 4.317 -13.980 1.00 0.00 H new ATOM 60 N GLY A 12 -1.814 -0.673 -13.320 1.00 0.00 N ATOM 61 CA GLY A 12 -0.910 -1.732 -12.782 1.00 0.00 C ATOM 62 C GLY A 12 -0.661 -2.801 -13.850 1.00 0.00 C ATOM 63 O GLY A 12 -1.280 -3.846 -13.834 1.00 0.00 O ATOM 0 H GLY A 12 -2.752 -0.986 -13.571 1.00 0.00 H new ATOM 0 HA2 GLY A 12 0.036 -1.290 -12.471 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -1.356 -2.187 -11.897 1.00 0.00 H new ATOM 67 N PRO A 13 0.242 -2.502 -14.749 1.00 0.00 N ATOM 68 CA PRO A 13 0.605 -3.418 -15.846 1.00 0.00 C ATOM 69 C PRO A 13 1.439 -4.616 -15.362 1.00 0.00 C ATOM 70 O PRO A 13 2.246 -4.526 -14.445 1.00 0.00 O ATOM 71 CB PRO A 13 1.411 -2.538 -16.802 1.00 0.00 C ATOM 72 CG PRO A 13 1.934 -1.351 -15.962 1.00 0.00 C ATOM 73 CD PRO A 13 0.979 -1.223 -14.761 1.00 0.00 C ATOM 0 HA PRO A 13 -0.275 -3.864 -16.309 1.00 0.00 H new ATOM 0 HB2 PRO A 13 2.237 -3.097 -17.242 1.00 0.00 H new ATOM 0 HB3 PRO A 13 0.789 -2.187 -17.626 1.00 0.00 H new ATOM 0 HG2 PRO A 13 2.956 -1.530 -15.629 1.00 0.00 H new ATOM 0 HG3 PRO A 13 1.946 -0.433 -16.550 1.00 0.00 H new ATOM 0 HD2 PRO A 13 1.526 -1.070 -13.831 1.00 0.00 H new ATOM 0 HD3 PRO A 13 0.304 -0.375 -14.877 1.00 0.00 H new ATOM 81 N HIS A 14 1.234 -5.733 -16.012 1.00 0.00 N ATOM 82 CA HIS A 14 1.964 -6.993 -15.687 1.00 0.00 C ATOM 83 C HIS A 14 1.224 -8.153 -16.351 1.00 0.00 C ATOM 84 O HIS A 14 0.129 -7.997 -16.853 1.00 0.00 O ATOM 85 CB HIS A 14 1.987 -7.244 -14.175 1.00 0.00 C ATOM 86 CG HIS A 14 2.990 -8.318 -13.867 1.00 0.00 C ATOM 87 ND1 HIS A 14 4.335 -8.185 -14.174 1.00 0.00 N ATOM 88 CD2 HIS A 14 2.853 -9.563 -13.306 1.00 0.00 C ATOM 89 CE1 HIS A 14 4.947 -9.324 -13.803 1.00 0.00 C ATOM 90 NE2 HIS A 14 4.090 -10.197 -13.268 1.00 0.00 N ATOM 0 H HIS A 14 0.568 -5.825 -16.779 1.00 0.00 H new ATOM 0 HA HIS A 14 2.990 -6.909 -16.045 1.00 0.00 H new ATOM 0 HB2 HIS A 14 2.245 -6.327 -13.646 1.00 0.00 H new ATOM 0 HB3 HIS A 14 0.998 -7.544 -13.829 1.00 0.00 H new ATOM 0 HD2 HIS A 14 1.926 -9.986 -12.949 1.00 0.00 H new ATOM 0 HE1 HIS A 14 6.004 -9.510 -13.923 1.00 0.00 H new ATOM 0 HE2 HIS A 14 4.298 -11.129 -12.909 1.00 0.00 H new ATOM 98 N GLY A 15 1.798 -9.319 -16.337 1.00 0.00 N ATOM 99 CA GLY A 15 1.115 -10.495 -16.942 1.00 0.00 C ATOM 100 C GLY A 15 0.335 -11.214 -15.840 1.00 0.00 C ATOM 101 O GLY A 15 -0.477 -10.611 -15.167 1.00 0.00 O ATOM 0 H GLY A 15 2.714 -9.511 -15.932 1.00 0.00 H new ATOM 0 HA2 GLY A 15 0.442 -10.176 -17.738 1.00 0.00 H new ATOM 0 HA3 GLY A 15 1.845 -11.168 -17.392 1.00 0.00 H new ATOM 105 N PRO A 16 0.613 -12.479 -15.675 1.00 0.00 N ATOM 106 CA PRO A 16 -0.040 -13.299 -14.645 1.00 0.00 C ATOM 107 C PRO A 16 0.613 -13.045 -13.284 1.00 0.00 C ATOM 108 O PRO A 16 1.780 -12.716 -13.199 1.00 0.00 O ATOM 109 CB PRO A 16 0.221 -14.732 -15.110 1.00 0.00 C ATOM 110 CG PRO A 16 1.465 -14.671 -16.031 1.00 0.00 C ATOM 111 CD PRO A 16 1.597 -13.208 -16.498 1.00 0.00 C ATOM 0 HA PRO A 16 -1.102 -13.082 -14.527 1.00 0.00 H new ATOM 0 HB2 PRO A 16 0.399 -15.390 -14.260 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -0.641 -15.130 -15.646 1.00 0.00 H new ATOM 0 HG2 PRO A 16 2.359 -14.989 -15.495 1.00 0.00 H new ATOM 0 HG3 PRO A 16 1.349 -15.341 -16.883 1.00 0.00 H new ATOM 0 HD2 PRO A 16 2.607 -12.829 -16.341 1.00 0.00 H new ATOM 0 HD3 PRO A 16 1.380 -13.108 -17.561 1.00 0.00 H new ATOM 119 N LEU A 17 -0.124 -13.192 -12.218 1.00 0.00 N ATOM 120 CA LEU A 17 0.466 -12.958 -10.874 1.00 0.00 C ATOM 121 C LEU A 17 0.330 -14.224 -10.031 1.00 0.00 C ATOM 122 O LEU A 17 -0.635 -14.405 -9.318 1.00 0.00 O ATOM 123 CB LEU A 17 -0.272 -11.812 -10.184 1.00 0.00 C ATOM 124 CG LEU A 17 0.257 -10.471 -10.696 1.00 0.00 C ATOM 125 CD1 LEU A 17 -0.507 -9.334 -10.014 1.00 0.00 C ATOM 126 CD2 LEU A 17 1.748 -10.350 -10.368 1.00 0.00 C ATOM 0 H LEU A 17 -1.107 -13.464 -12.221 1.00 0.00 H new ATOM 0 HA LEU A 17 1.520 -12.701 -10.982 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -1.342 -11.888 -10.377 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -0.137 -11.878 -9.104 1.00 0.00 H new ATOM 0 HG LEU A 17 0.118 -10.412 -11.775 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -0.133 -8.376 -10.376 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -1.569 -9.420 -10.244 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -0.364 -9.395 -8.935 1.00 0.00 H new ATOM 0 HD21 LEU A 17 2.124 -9.394 -10.733 1.00 0.00 H new ATOM 0 HD22 LEU A 17 1.889 -10.407 -9.289 1.00 0.00 H new ATOM 0 HD23 LEU A 17 2.293 -11.162 -10.849 1.00 0.00 H new ATOM 138 N ALA A 18 1.293 -15.098 -10.098 1.00 0.00 N ATOM 139 CA ALA A 18 1.222 -16.340 -9.286 1.00 0.00 C ATOM 140 C ALA A 18 1.890 -16.072 -7.941 1.00 0.00 C ATOM 141 O ALA A 18 2.558 -15.073 -7.765 1.00 0.00 O ATOM 142 CB ALA A 18 1.954 -17.472 -10.009 1.00 0.00 C ATOM 0 H ALA A 18 2.126 -15.005 -10.680 1.00 0.00 H new ATOM 0 HA ALA A 18 0.183 -16.633 -9.138 1.00 0.00 H new ATOM 0 HB1 ALA A 18 1.900 -18.381 -9.410 1.00 0.00 H new ATOM 0 HB2 ALA A 18 1.486 -17.647 -10.978 1.00 0.00 H new ATOM 0 HB3 ALA A 18 2.998 -17.195 -10.155 1.00 0.00 H new ATOM 148 N SER A 19 1.710 -16.943 -6.989 1.00 0.00 N ATOM 149 CA SER A 19 2.333 -16.724 -5.655 1.00 0.00 C ATOM 150 C SER A 19 3.829 -16.451 -5.831 1.00 0.00 C ATOM 151 O SER A 19 4.567 -17.276 -6.331 1.00 0.00 O ATOM 152 CB SER A 19 2.141 -17.966 -4.787 1.00 0.00 C ATOM 153 OG SER A 19 3.159 -18.001 -3.796 1.00 0.00 O ATOM 0 H SER A 19 1.159 -17.797 -7.077 1.00 0.00 H new ATOM 0 HA SER A 19 1.860 -15.870 -5.171 1.00 0.00 H new ATOM 0 HB2 SER A 19 1.158 -17.948 -4.316 1.00 0.00 H new ATOM 0 HB3 SER A 19 2.183 -18.865 -5.402 1.00 0.00 H new ATOM 0 HG SER A 19 2.928 -17.387 -3.068 1.00 0.00 H new ATOM 159 N GLY A 20 4.276 -15.295 -5.428 1.00 0.00 N ATOM 160 CA GLY A 20 5.721 -14.963 -5.575 1.00 0.00 C ATOM 161 C GLY A 20 5.945 -14.279 -6.923 1.00 0.00 C ATOM 162 O GLY A 20 6.835 -14.633 -7.670 1.00 0.00 O ATOM 0 H GLY A 20 3.704 -14.565 -5.003 1.00 0.00 H new ATOM 0 HA2 GLY A 20 6.040 -14.308 -4.764 1.00 0.00 H new ATOM 0 HA3 GLY A 20 6.323 -15.869 -5.509 1.00 0.00 H new ATOM 166 N GLN A 21 5.135 -13.306 -7.246 1.00 0.00 N ATOM 167 CA GLN A 21 5.296 -12.607 -8.559 1.00 0.00 C ATOM 168 C GLN A 21 5.573 -11.112 -8.352 1.00 0.00 C ATOM 169 O GLN A 21 5.224 -10.531 -7.340 1.00 0.00 O ATOM 170 CB GLN A 21 4.017 -12.764 -9.382 1.00 0.00 C ATOM 171 CG GLN A 21 4.292 -13.643 -10.604 1.00 0.00 C ATOM 172 CD GLN A 21 5.464 -13.067 -11.400 1.00 0.00 C ATOM 173 OE1 GLN A 21 5.499 -11.888 -11.684 1.00 0.00 O ATOM 174 NE2 GLN A 21 6.435 -13.855 -11.770 1.00 0.00 N ATOM 0 H GLN A 21 4.372 -12.965 -6.662 1.00 0.00 H new ATOM 0 HA GLN A 21 6.140 -13.054 -9.083 1.00 0.00 H new ATOM 0 HB2 GLN A 21 3.233 -13.210 -8.771 1.00 0.00 H new ATOM 0 HB3 GLN A 21 3.656 -11.786 -9.700 1.00 0.00 H new ATOM 0 HG2 GLN A 21 4.520 -14.661 -10.288 1.00 0.00 H new ATOM 0 HG3 GLN A 21 3.404 -13.696 -11.233 1.00 0.00 H new ATOM 0 HE21 GLN A 21 6.406 -14.846 -11.532 1.00 0.00 H new ATOM 0 HE22 GLN A 21 7.223 -13.480 -12.298 1.00 0.00 H new ATOM 183 N LEU A 22 6.198 -10.491 -9.324 1.00 0.00 N ATOM 184 CA LEU A 22 6.514 -9.038 -9.232 1.00 0.00 C ATOM 185 C LEU A 22 5.726 -8.273 -10.300 1.00 0.00 C ATOM 186 O LEU A 22 6.148 -8.170 -11.434 1.00 0.00 O ATOM 187 CB LEU A 22 8.013 -8.836 -9.486 1.00 0.00 C ATOM 188 CG LEU A 22 8.472 -7.460 -8.975 1.00 0.00 C ATOM 189 CD1 LEU A 22 7.849 -6.336 -9.815 1.00 0.00 C ATOM 190 CD2 LEU A 22 8.051 -7.288 -7.516 1.00 0.00 C ATOM 0 H LEU A 22 6.505 -10.939 -10.187 1.00 0.00 H new ATOM 0 HA LEU A 22 6.245 -8.669 -8.242 1.00 0.00 H new ATOM 0 HB2 LEU A 22 8.580 -9.622 -8.987 1.00 0.00 H new ATOM 0 HB3 LEU A 22 8.221 -8.921 -10.553 1.00 0.00 H new ATOM 0 HG LEU A 22 9.557 -7.405 -9.058 1.00 0.00 H new ATOM 0 HD11 LEU A 22 8.186 -5.370 -9.438 1.00 0.00 H new ATOM 0 HD12 LEU A 22 8.156 -6.446 -10.855 1.00 0.00 H new ATOM 0 HD13 LEU A 22 6.762 -6.392 -9.749 1.00 0.00 H new ATOM 0 HD21 LEU A 22 8.377 -6.312 -7.156 1.00 0.00 H new ATOM 0 HD22 LEU A 22 6.966 -7.359 -7.440 1.00 0.00 H new ATOM 0 HD23 LEU A 22 8.509 -8.070 -6.911 1.00 0.00 H new ATOM 202 N ALA A 23 4.603 -7.712 -9.951 1.00 0.00 N ATOM 203 CA ALA A 23 3.830 -6.933 -10.961 1.00 0.00 C ATOM 204 C ALA A 23 4.451 -5.541 -11.046 1.00 0.00 C ATOM 205 O ALA A 23 5.153 -5.132 -10.150 1.00 0.00 O ATOM 206 CB ALA A 23 2.369 -6.821 -10.530 1.00 0.00 C ATOM 0 H ALA A 23 4.189 -7.757 -9.020 1.00 0.00 H new ATOM 0 HA ALA A 23 3.864 -7.430 -11.931 1.00 0.00 H new ATOM 0 HB1 ALA A 23 1.813 -6.250 -11.274 1.00 0.00 H new ATOM 0 HB2 ALA A 23 1.938 -7.818 -10.441 1.00 0.00 H new ATOM 0 HB3 ALA A 23 2.312 -6.314 -9.567 1.00 0.00 H new ATOM 212 N ALA A 24 4.217 -4.798 -12.093 1.00 0.00 N ATOM 213 CA ALA A 24 4.837 -3.445 -12.151 1.00 0.00 C ATOM 214 C ALA A 24 3.732 -2.406 -12.315 1.00 0.00 C ATOM 215 O ALA A 24 3.060 -2.355 -13.317 1.00 0.00 O ATOM 216 CB ALA A 24 5.829 -3.395 -13.310 1.00 0.00 C ATOM 0 H ALA A 24 3.639 -5.060 -12.891 1.00 0.00 H new ATOM 0 HA ALA A 24 5.382 -3.229 -11.232 1.00 0.00 H new ATOM 0 HB1 ALA A 24 6.285 -2.406 -13.356 1.00 0.00 H new ATOM 0 HB2 ALA A 24 6.605 -4.146 -13.158 1.00 0.00 H new ATOM 0 HB3 ALA A 24 5.307 -3.597 -14.245 1.00 0.00 H new ATOM 222 N PHE A 25 3.513 -1.611 -11.303 1.00 0.00 N ATOM 223 CA PHE A 25 2.412 -0.605 -11.346 1.00 0.00 C ATOM 224 C PHE A 25 2.924 0.803 -11.666 1.00 0.00 C ATOM 225 O PHE A 25 4.097 1.104 -11.563 1.00 0.00 O ATOM 226 CB PHE A 25 1.765 -0.526 -9.964 1.00 0.00 C ATOM 227 CG PHE A 25 1.014 -1.789 -9.627 1.00 0.00 C ATOM 228 CD1 PHE A 25 1.668 -3.032 -9.594 1.00 0.00 C ATOM 229 CD2 PHE A 25 -0.346 -1.704 -9.316 1.00 0.00 C ATOM 230 CE1 PHE A 25 0.949 -4.183 -9.252 1.00 0.00 C ATOM 231 CE2 PHE A 25 -1.061 -2.857 -8.977 1.00 0.00 C ATOM 232 CZ PHE A 25 -0.413 -4.096 -8.944 1.00 0.00 C ATOM 0 H PHE A 25 4.055 -1.615 -10.439 1.00 0.00 H new ATOM 0 HA PHE A 25 1.716 -0.923 -12.123 1.00 0.00 H new ATOM 0 HB2 PHE A 25 2.534 -0.348 -9.212 1.00 0.00 H new ATOM 0 HB3 PHE A 25 1.083 0.323 -9.930 1.00 0.00 H new ATOM 0 HD1 PHE A 25 2.720 -3.099 -9.831 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -0.845 -0.747 -9.338 1.00 0.00 H new ATOM 0 HE1 PHE A 25 1.447 -5.141 -9.226 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -2.113 -2.791 -8.741 1.00 0.00 H new ATOM 0 HZ PHE A 25 -0.964 -4.986 -8.681 1.00 0.00 H new ATOM 242 N HIS A 26 2.007 1.677 -11.993 1.00 0.00 N ATOM 243 CA HIS A 26 2.345 3.097 -12.262 1.00 0.00 C ATOM 244 C HIS A 26 1.043 3.913 -12.200 1.00 0.00 C ATOM 245 O HIS A 26 -0.044 3.405 -12.435 1.00 0.00 O ATOM 246 CB HIS A 26 3.055 3.248 -13.618 1.00 0.00 C ATOM 247 CG HIS A 26 2.078 3.265 -14.760 1.00 0.00 C ATOM 248 ND1 HIS A 26 1.247 4.347 -15.015 1.00 0.00 N ATOM 249 CD2 HIS A 26 1.827 2.357 -15.757 1.00 0.00 C ATOM 250 CE1 HIS A 26 0.545 4.062 -16.126 1.00 0.00 C ATOM 251 NE2 HIS A 26 0.863 2.862 -16.620 1.00 0.00 N ATOM 0 H HIS A 26 1.016 1.455 -12.086 1.00 0.00 H new ATOM 0 HA HIS A 26 3.042 3.470 -11.511 1.00 0.00 H new ATOM 0 HB2 HIS A 26 3.637 4.170 -13.623 1.00 0.00 H new ATOM 0 HB3 HIS A 26 3.759 2.427 -13.754 1.00 0.00 H new ATOM 0 HD1 HIS A 26 1.181 5.201 -14.462 1.00 0.00 H new ATOM 0 HD2 HIS A 26 2.307 1.394 -15.856 1.00 0.00 H new ATOM 0 HE1 HIS A 26 -0.187 4.723 -16.566 1.00 0.00 H new ATOM 259 N ILE A 27 1.137 5.163 -11.848 1.00 0.00 N ATOM 260 CA ILE A 27 -0.088 6.006 -11.730 1.00 0.00 C ATOM 261 C ILE A 27 -0.039 7.101 -12.794 1.00 0.00 C ATOM 262 O ILE A 27 1.007 7.380 -13.345 1.00 0.00 O ATOM 263 CB ILE A 27 -0.135 6.631 -10.330 1.00 0.00 C ATOM 264 CG1 ILE A 27 0.710 5.794 -9.363 1.00 0.00 C ATOM 265 CG2 ILE A 27 -1.576 6.655 -9.821 1.00 0.00 C ATOM 266 CD1 ILE A 27 -0.065 4.540 -8.966 1.00 0.00 C ATOM 0 H ILE A 27 2.013 5.641 -11.636 1.00 0.00 H new ATOM 0 HA ILE A 27 -0.981 5.399 -11.879 1.00 0.00 H new ATOM 0 HB ILE A 27 0.256 7.647 -10.385 1.00 0.00 H new ATOM 0 HG12 ILE A 27 1.654 5.518 -9.833 1.00 0.00 H new ATOM 0 HG13 ILE A 27 0.955 6.379 -8.477 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -1.603 7.100 -8.826 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -2.192 7.245 -10.500 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -1.962 5.637 -9.774 1.00 0.00 H new ATOM 0 HD11 ILE A 27 0.535 3.944 -8.278 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -0.997 4.827 -8.479 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -0.287 3.952 -9.857 1.00 0.00 H new ATOM 278 N ALA A 28 -1.151 7.707 -13.122 1.00 0.00 N ATOM 279 CA ALA A 28 -1.104 8.756 -14.192 1.00 0.00 C ATOM 280 C ALA A 28 -1.954 9.986 -13.851 1.00 0.00 C ATOM 281 O ALA A 28 -3.154 9.909 -13.713 1.00 0.00 O ATOM 282 CB ALA A 28 -1.627 8.157 -15.489 1.00 0.00 C ATOM 0 H ALA A 28 -2.067 7.530 -12.710 1.00 0.00 H new ATOM 0 HA ALA A 28 -0.068 9.081 -14.285 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -1.598 8.911 -16.276 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -1.004 7.309 -15.775 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -2.654 7.821 -15.346 1.00 0.00 H new ATOM 288 N ALA A 29 -1.336 11.134 -13.775 1.00 0.00 N ATOM 289 CA ALA A 29 -2.094 12.394 -13.501 1.00 0.00 C ATOM 290 C ALA A 29 -1.101 13.557 -13.381 1.00 0.00 C ATOM 291 O ALA A 29 -1.011 14.375 -14.278 1.00 0.00 O ATOM 292 CB ALA A 29 -2.924 12.261 -12.224 1.00 0.00 C ATOM 0 H ALA A 29 -0.330 11.256 -13.892 1.00 0.00 H new ATOM 0 HA ALA A 29 -2.783 12.587 -14.324 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -3.467 13.189 -12.044 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -3.634 11.441 -12.335 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -2.264 12.058 -11.381 1.00 0.00 H new ATOM 298 N PRO A 30 -0.355 13.598 -12.300 1.00 0.00 N ATOM 299 CA PRO A 30 0.649 14.651 -12.098 1.00 0.00 C ATOM 300 C PRO A 30 1.878 14.326 -12.944 1.00 0.00 C ATOM 301 O PRO A 30 2.861 13.823 -12.450 1.00 0.00 O ATOM 302 CB PRO A 30 0.966 14.574 -10.604 1.00 0.00 C ATOM 303 CG PRO A 30 0.572 13.148 -10.154 1.00 0.00 C ATOM 304 CD PRO A 30 -0.429 12.620 -11.192 1.00 0.00 C ATOM 0 HA PRO A 30 0.315 15.647 -12.388 1.00 0.00 H new ATOM 0 HB2 PRO A 30 2.024 14.762 -10.420 1.00 0.00 H new ATOM 0 HB3 PRO A 30 0.407 15.326 -10.048 1.00 0.00 H new ATOM 0 HG2 PRO A 30 1.449 12.503 -10.099 1.00 0.00 H new ATOM 0 HG3 PRO A 30 0.126 13.165 -9.160 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -0.163 11.618 -11.527 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -1.436 12.561 -10.780 1.00 0.00 H new ATOM 312 N LEU A 31 1.799 14.588 -14.222 1.00 0.00 N ATOM 313 CA LEU A 31 2.935 14.283 -15.150 1.00 0.00 C ATOM 314 C LEU A 31 4.297 14.455 -14.455 1.00 0.00 C ATOM 315 O LEU A 31 5.085 13.530 -14.427 1.00 0.00 O ATOM 316 CB LEU A 31 2.856 15.206 -16.368 1.00 0.00 C ATOM 317 CG LEU A 31 2.353 14.412 -17.574 1.00 0.00 C ATOM 318 CD1 LEU A 31 0.857 14.132 -17.415 1.00 0.00 C ATOM 319 CD2 LEU A 31 2.591 15.222 -18.850 1.00 0.00 C ATOM 0 H LEU A 31 0.985 15.007 -14.671 1.00 0.00 H new ATOM 0 HA LEU A 31 2.850 13.242 -15.462 1.00 0.00 H new ATOM 0 HB2 LEU A 31 2.186 16.041 -16.163 1.00 0.00 H new ATOM 0 HB3 LEU A 31 3.837 15.630 -16.581 1.00 0.00 H new ATOM 0 HG LEU A 31 2.892 13.466 -17.638 1.00 0.00 H new ATOM 0 HD11 LEU A 31 0.499 13.566 -18.275 1.00 0.00 H new ATOM 0 HD12 LEU A 31 0.690 13.555 -16.506 1.00 0.00 H new ATOM 0 HD13 LEU A 31 0.315 15.076 -17.351 1.00 0.00 H new ATOM 0 HD21 LEU A 31 2.233 14.658 -19.711 1.00 0.00 H new ATOM 0 HD22 LEU A 31 2.053 16.168 -18.786 1.00 0.00 H new ATOM 0 HD23 LEU A 31 3.657 15.419 -18.963 1.00 0.00 H new ATOM 331 N PRO A 32 4.541 15.625 -13.918 1.00 0.00 N ATOM 332 CA PRO A 32 5.809 15.922 -13.225 1.00 0.00 C ATOM 333 C PRO A 32 5.802 15.376 -11.788 1.00 0.00 C ATOM 334 O PRO A 32 5.666 16.122 -10.845 1.00 0.00 O ATOM 335 CB PRO A 32 5.855 17.452 -13.213 1.00 0.00 C ATOM 336 CG PRO A 32 4.392 17.935 -13.363 1.00 0.00 C ATOM 337 CD PRO A 32 3.595 16.759 -13.954 1.00 0.00 C ATOM 0 HA PRO A 32 6.670 15.465 -13.713 1.00 0.00 H new ATOM 0 HB2 PRO A 32 6.292 17.820 -12.285 1.00 0.00 H new ATOM 0 HB3 PRO A 32 6.474 17.828 -14.028 1.00 0.00 H new ATOM 0 HG2 PRO A 32 3.982 18.234 -12.398 1.00 0.00 H new ATOM 0 HG3 PRO A 32 4.337 18.806 -14.016 1.00 0.00 H new ATOM 0 HD2 PRO A 32 2.700 16.550 -13.368 1.00 0.00 H new ATOM 0 HD3 PRO A 32 3.267 16.972 -14.971 1.00 0.00 H new ATOM 345 N VAL A 33 5.967 14.088 -11.611 1.00 0.00 N ATOM 346 CA VAL A 33 5.986 13.523 -10.224 1.00 0.00 C ATOM 347 C VAL A 33 7.431 13.212 -9.830 1.00 0.00 C ATOM 348 O VAL A 33 8.252 12.876 -10.662 1.00 0.00 O ATOM 349 CB VAL A 33 5.164 12.236 -10.163 1.00 0.00 C ATOM 350 CG1 VAL A 33 5.481 11.487 -8.867 1.00 0.00 C ATOM 351 CG2 VAL A 33 3.683 12.585 -10.180 1.00 0.00 C ATOM 0 H VAL A 33 6.089 13.407 -12.360 1.00 0.00 H new ATOM 0 HA VAL A 33 5.556 14.252 -9.538 1.00 0.00 H new ATOM 0 HB VAL A 33 5.410 11.609 -11.020 1.00 0.00 H new ATOM 0 HG11 VAL A 33 4.894 10.569 -8.824 1.00 0.00 H new ATOM 0 HG12 VAL A 33 6.542 11.241 -8.839 1.00 0.00 H new ATOM 0 HG13 VAL A 33 5.232 12.117 -8.013 1.00 0.00 H new ATOM 0 HG21 VAL A 33 3.093 11.670 -10.137 1.00 0.00 H new ATOM 0 HG22 VAL A 33 3.447 13.210 -9.319 1.00 0.00 H new ATOM 0 HG23 VAL A 33 3.447 13.126 -11.097 1.00 0.00 H new ATOM 361 N THR A 34 7.753 13.321 -8.570 1.00 0.00 N ATOM 362 CA THR A 34 9.149 13.029 -8.131 1.00 0.00 C ATOM 363 C THR A 34 9.175 11.788 -7.243 1.00 0.00 C ATOM 364 O THR A 34 10.155 11.070 -7.195 1.00 0.00 O ATOM 365 CB THR A 34 9.706 14.228 -7.358 1.00 0.00 C ATOM 366 OG1 THR A 34 11.086 14.018 -7.095 1.00 0.00 O ATOM 367 CG2 THR A 34 8.950 14.386 -6.038 1.00 0.00 C ATOM 0 H THR A 34 7.112 13.599 -7.827 1.00 0.00 H new ATOM 0 HA THR A 34 9.765 12.845 -9.011 1.00 0.00 H new ATOM 0 HB THR A 34 9.582 15.133 -7.953 1.00 0.00 H new ATOM 0 HG1 THR A 34 11.445 14.785 -6.602 1.00 0.00 H new ATOM 0 HG21 THR A 34 9.349 15.240 -5.490 1.00 0.00 H new ATOM 0 HG22 THR A 34 7.892 14.548 -6.242 1.00 0.00 H new ATOM 0 HG23 THR A 34 9.070 13.483 -5.440 1.00 0.00 H new ATOM 375 N ALA A 35 8.114 11.529 -6.542 1.00 0.00 N ATOM 376 CA ALA A 35 8.083 10.335 -5.658 1.00 0.00 C ATOM 377 C ALA A 35 6.639 9.996 -5.292 1.00 0.00 C ATOM 378 O ALA A 35 5.807 10.865 -5.102 1.00 0.00 O ATOM 379 CB ALA A 35 8.873 10.631 -4.387 1.00 0.00 C ATOM 0 H ALA A 35 7.264 12.093 -6.542 1.00 0.00 H new ATOM 0 HA ALA A 35 8.527 9.487 -6.180 1.00 0.00 H new ATOM 0 HB1 ALA A 35 8.853 9.758 -3.735 1.00 0.00 H new ATOM 0 HB2 ALA A 35 9.905 10.867 -4.647 1.00 0.00 H new ATOM 0 HB3 ALA A 35 8.426 11.480 -3.870 1.00 0.00 H new ATOM 385 N THR A 36 6.346 8.732 -5.184 1.00 0.00 N ATOM 386 CA THR A 36 4.967 8.308 -4.821 1.00 0.00 C ATOM 387 C THR A 36 5.048 7.358 -3.629 1.00 0.00 C ATOM 388 O THR A 36 6.085 6.797 -3.339 1.00 0.00 O ATOM 389 CB THR A 36 4.322 7.576 -5.996 1.00 0.00 C ATOM 390 OG1 THR A 36 3.112 6.965 -5.569 1.00 0.00 O ATOM 391 CG2 THR A 36 5.270 6.505 -6.518 1.00 0.00 C ATOM 0 H THR A 36 7.007 7.969 -5.333 1.00 0.00 H new ATOM 0 HA THR A 36 4.369 9.184 -4.572 1.00 0.00 H new ATOM 0 HB THR A 36 4.110 8.291 -6.791 1.00 0.00 H new ATOM 0 HG1 THR A 36 3.272 6.016 -5.384 1.00 0.00 H new ATOM 0 HG21 THR A 36 4.806 5.985 -7.356 1.00 0.00 H new ATOM 0 HG22 THR A 36 6.198 6.971 -6.849 1.00 0.00 H new ATOM 0 HG23 THR A 36 5.486 5.791 -5.723 1.00 0.00 H new ATOM 399 N ARG A 37 3.961 7.159 -2.946 1.00 0.00 N ATOM 400 CA ARG A 37 3.968 6.233 -1.787 1.00 0.00 C ATOM 401 C ARG A 37 2.899 5.173 -2.014 1.00 0.00 C ATOM 402 O ARG A 37 1.727 5.420 -1.847 1.00 0.00 O ATOM 403 CB ARG A 37 3.669 7.004 -0.501 1.00 0.00 C ATOM 404 CG ARG A 37 4.925 7.752 -0.049 1.00 0.00 C ATOM 405 CD ARG A 37 4.529 9.130 0.484 1.00 0.00 C ATOM 406 NE ARG A 37 3.417 8.981 1.463 1.00 0.00 N ATOM 407 CZ ARG A 37 3.665 8.553 2.670 1.00 0.00 C ATOM 408 NH1 ARG A 37 4.242 9.341 3.536 1.00 0.00 N ATOM 409 NH2 ARG A 37 3.336 7.337 3.011 1.00 0.00 N ATOM 0 H ARG A 37 3.063 7.601 -3.142 1.00 0.00 H new ATOM 0 HA ARG A 37 4.947 5.764 -1.690 1.00 0.00 H new ATOM 0 HB2 ARG A 37 2.854 7.708 -0.668 1.00 0.00 H new ATOM 0 HB3 ARG A 37 3.342 6.317 0.279 1.00 0.00 H new ATOM 0 HG2 ARG A 37 5.441 7.185 0.725 1.00 0.00 H new ATOM 0 HG3 ARG A 37 5.619 7.858 -0.883 1.00 0.00 H new ATOM 0 HD2 ARG A 37 5.385 9.608 0.960 1.00 0.00 H new ATOM 0 HD3 ARG A 37 4.220 9.775 -0.338 1.00 0.00 H new ATOM 0 HE ARG A 37 2.462 9.213 1.190 1.00 0.00 H new ATOM 0 HH11 ARG A 37 4.499 10.291 3.269 1.00 0.00 H new ATOM 0 HH12 ARG A 37 4.436 9.006 4.480 1.00 0.00 H new ATOM 0 HH21 ARG A 37 2.885 6.722 2.334 1.00 0.00 H new ATOM 0 HH22 ARG A 37 3.530 7.002 3.955 1.00 0.00 H new ATOM 423 N TRP A 38 3.287 3.995 -2.397 1.00 0.00 N ATOM 424 CA TRP A 38 2.273 2.936 -2.641 1.00 0.00 C ATOM 425 C TRP A 38 1.996 2.183 -1.355 1.00 0.00 C ATOM 426 O TRP A 38 2.584 2.432 -0.323 1.00 0.00 O ATOM 427 CB TRP A 38 2.788 1.918 -3.653 1.00 0.00 C ATOM 428 CG TRP A 38 3.114 2.556 -4.954 1.00 0.00 C ATOM 429 CD1 TRP A 38 4.127 3.426 -5.172 1.00 0.00 C ATOM 430 CD2 TRP A 38 2.451 2.368 -6.231 1.00 0.00 C ATOM 431 NE1 TRP A 38 4.139 3.755 -6.512 1.00 0.00 N ATOM 432 CE2 TRP A 38 3.125 3.138 -7.202 1.00 0.00 C ATOM 433 CE3 TRP A 38 1.345 1.606 -6.637 1.00 0.00 C ATOM 434 CZ2 TRP A 38 2.725 3.151 -8.529 1.00 0.00 C ATOM 435 CZ3 TRP A 38 0.931 1.623 -7.976 1.00 0.00 C ATOM 436 CH2 TRP A 38 1.625 2.394 -8.920 1.00 0.00 C ATOM 0 H TRP A 38 4.256 3.718 -2.552 1.00 0.00 H new ATOM 0 HA TRP A 38 1.372 3.422 -3.016 1.00 0.00 H new ATOM 0 HB2 TRP A 38 3.676 1.427 -3.256 1.00 0.00 H new ATOM 0 HB3 TRP A 38 2.036 1.143 -3.805 1.00 0.00 H new ATOM 0 HD1 TRP A 38 4.810 3.800 -4.424 1.00 0.00 H new ATOM 0 HE1 TRP A 38 4.820 4.382 -6.939 1.00 0.00 H new ATOM 0 HE3 TRP A 38 0.811 1.005 -5.916 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 3.263 3.744 -9.254 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 0.075 1.040 -8.282 1.00 0.00 H new ATOM 0 HH2 TRP A 38 1.305 2.400 -9.952 1.00 0.00 H new ATOM 447 N ASP A 39 1.126 1.232 -1.435 1.00 0.00 N ATOM 448 CA ASP A 39 0.817 0.394 -0.261 1.00 0.00 C ATOM 449 C ASP A 39 0.453 -0.980 -0.796 1.00 0.00 C ATOM 450 O ASP A 39 -0.635 -1.193 -1.292 1.00 0.00 O ATOM 451 CB ASP A 39 -0.349 0.983 0.532 1.00 0.00 C ATOM 452 CG ASP A 39 0.144 1.401 1.917 1.00 0.00 C ATOM 453 OD1 ASP A 39 0.153 0.557 2.800 1.00 0.00 O ATOM 454 OD2 ASP A 39 0.509 2.555 2.069 1.00 0.00 O ATOM 0 H ASP A 39 0.606 0.995 -2.280 1.00 0.00 H new ATOM 0 HA ASP A 39 1.670 0.342 0.416 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -0.764 1.843 0.006 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -1.149 0.249 0.624 1.00 0.00 H new ATOM 459 N PHE A 40 1.363 -1.905 -0.745 1.00 0.00 N ATOM 460 CA PHE A 40 1.055 -3.247 -1.307 1.00 0.00 C ATOM 461 C PHE A 40 0.233 -4.053 -0.303 1.00 0.00 C ATOM 462 O PHE A 40 -0.794 -4.607 -0.638 1.00 0.00 O ATOM 463 CB PHE A 40 2.344 -4.004 -1.639 1.00 0.00 C ATOM 464 CG PHE A 40 3.299 -3.146 -2.446 1.00 0.00 C ATOM 465 CD1 PHE A 40 2.853 -1.984 -3.092 1.00 0.00 C ATOM 466 CD2 PHE A 40 4.643 -3.532 -2.556 1.00 0.00 C ATOM 467 CE1 PHE A 40 3.749 -1.215 -3.843 1.00 0.00 C ATOM 468 CE2 PHE A 40 5.534 -2.761 -3.306 1.00 0.00 C ATOM 469 CZ PHE A 40 5.088 -1.603 -3.950 1.00 0.00 C ATOM 0 H PHE A 40 2.295 -1.795 -0.345 1.00 0.00 H new ATOM 0 HA PHE A 40 0.482 -3.113 -2.225 1.00 0.00 H new ATOM 0 HB2 PHE A 40 2.829 -4.321 -0.716 1.00 0.00 H new ATOM 0 HB3 PHE A 40 2.103 -4.908 -2.199 1.00 0.00 H new ATOM 0 HD1 PHE A 40 1.819 -1.683 -3.010 1.00 0.00 H new ATOM 0 HD2 PHE A 40 4.989 -4.427 -2.060 1.00 0.00 H new ATOM 0 HE1 PHE A 40 3.406 -0.320 -4.341 1.00 0.00 H new ATOM 0 HE2 PHE A 40 6.569 -3.060 -3.389 1.00 0.00 H new ATOM 0 HZ PHE A 40 5.778 -1.008 -4.530 1.00 0.00 H new ATOM 479 N GLY A 41 0.673 -4.136 0.919 1.00 0.00 N ATOM 480 CA GLY A 41 -0.096 -4.918 1.927 1.00 0.00 C ATOM 481 C GLY A 41 0.212 -6.408 1.756 1.00 0.00 C ATOM 482 O GLY A 41 -0.538 -7.261 2.191 1.00 0.00 O ATOM 0 H GLY A 41 1.528 -3.699 1.264 1.00 0.00 H new ATOM 0 HA2 GLY A 41 0.168 -4.594 2.934 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -1.164 -4.740 1.804 1.00 0.00 H new ATOM 486 N ASP A 42 1.324 -6.724 1.152 1.00 0.00 N ATOM 487 CA ASP A 42 1.707 -8.146 0.979 1.00 0.00 C ATOM 488 C ASP A 42 2.851 -8.408 1.954 1.00 0.00 C ATOM 489 O ASP A 42 2.651 -8.464 3.151 1.00 0.00 O ATOM 490 CB ASP A 42 2.149 -8.403 -0.473 1.00 0.00 C ATOM 491 CG ASP A 42 2.902 -7.190 -1.051 1.00 0.00 C ATOM 492 OD1 ASP A 42 3.554 -6.490 -0.291 1.00 0.00 O ATOM 493 OD2 ASP A 42 2.827 -6.992 -2.251 1.00 0.00 O ATOM 0 H ASP A 42 1.987 -6.050 0.769 1.00 0.00 H new ATOM 0 HA ASP A 42 0.869 -8.813 1.181 1.00 0.00 H new ATOM 0 HB2 ASP A 42 2.791 -9.283 -0.510 1.00 0.00 H new ATOM 0 HB3 ASP A 42 1.276 -8.619 -1.089 1.00 0.00 H new ATOM 498 N GLY A 43 4.052 -8.500 1.472 1.00 0.00 N ATOM 499 CA GLY A 43 5.198 -8.676 2.392 1.00 0.00 C ATOM 500 C GLY A 43 5.593 -7.291 2.915 1.00 0.00 C ATOM 501 O GLY A 43 6.306 -7.161 3.890 1.00 0.00 O ATOM 0 H GLY A 43 4.289 -8.461 0.481 1.00 0.00 H new ATOM 0 HA2 GLY A 43 4.928 -9.334 3.218 1.00 0.00 H new ATOM 0 HA3 GLY A 43 6.036 -9.142 1.874 1.00 0.00 H new ATOM 505 N SER A 44 5.120 -6.248 2.268 1.00 0.00 N ATOM 506 CA SER A 44 5.447 -4.867 2.715 1.00 0.00 C ATOM 507 C SER A 44 4.197 -3.987 2.577 1.00 0.00 C ATOM 508 O SER A 44 3.539 -3.973 1.553 1.00 0.00 O ATOM 509 CB SER A 44 6.576 -4.307 1.847 1.00 0.00 C ATOM 510 OG SER A 44 6.024 -3.698 0.687 1.00 0.00 O ATOM 0 H SER A 44 4.519 -6.302 1.446 1.00 0.00 H new ATOM 0 HA SER A 44 5.769 -4.879 3.756 1.00 0.00 H new ATOM 0 HB2 SER A 44 7.156 -3.578 2.412 1.00 0.00 H new ATOM 0 HB3 SER A 44 7.260 -5.106 1.561 1.00 0.00 H new ATOM 0 HG SER A 44 5.077 -3.939 0.610 1.00 0.00 H new ATOM 516 N ALA A 45 3.855 -3.260 3.604 1.00 0.00 N ATOM 517 CA ALA A 45 2.649 -2.391 3.528 1.00 0.00 C ATOM 518 C ALA A 45 2.998 -1.091 2.805 1.00 0.00 C ATOM 519 O ALA A 45 2.810 -0.961 1.606 1.00 0.00 O ATOM 520 CB ALA A 45 2.149 -2.086 4.942 1.00 0.00 C ATOM 0 H ALA A 45 4.358 -3.230 4.491 1.00 0.00 H new ATOM 0 HA ALA A 45 1.863 -2.905 2.974 1.00 0.00 H new ATOM 0 HB1 ALA A 45 1.266 -1.450 4.886 1.00 0.00 H new ATOM 0 HB2 ALA A 45 1.894 -3.018 5.446 1.00 0.00 H new ATOM 0 HB3 ALA A 45 2.931 -1.573 5.502 1.00 0.00 H new ATOM 526 N GLU A 46 3.505 -0.139 3.539 1.00 0.00 N ATOM 527 CA GLU A 46 3.885 1.178 2.945 1.00 0.00 C ATOM 528 C GLU A 46 4.881 0.966 1.805 1.00 0.00 C ATOM 529 O GLU A 46 5.626 0.007 1.789 1.00 0.00 O ATOM 530 CB GLU A 46 4.526 2.057 4.023 1.00 0.00 C ATOM 531 CG GLU A 46 5.642 1.281 4.728 1.00 0.00 C ATOM 532 CD GLU A 46 6.502 2.248 5.543 1.00 0.00 C ATOM 533 OE1 GLU A 46 5.950 3.201 6.070 1.00 0.00 O ATOM 534 OE2 GLU A 46 7.697 2.021 5.625 1.00 0.00 O ATOM 0 H GLU A 46 3.675 -0.218 4.542 1.00 0.00 H new ATOM 0 HA GLU A 46 2.992 1.667 2.556 1.00 0.00 H new ATOM 0 HB2 GLU A 46 4.929 2.964 3.573 1.00 0.00 H new ATOM 0 HB3 GLU A 46 3.773 2.368 4.747 1.00 0.00 H new ATOM 0 HG2 GLU A 46 5.214 0.520 5.381 1.00 0.00 H new ATOM 0 HG3 GLU A 46 6.257 0.761 3.994 1.00 0.00 H new ATOM 541 N VAL A 47 4.883 1.847 0.839 1.00 0.00 N ATOM 542 CA VAL A 47 5.810 1.686 -0.314 1.00 0.00 C ATOM 543 C VAL A 47 6.407 3.032 -0.720 1.00 0.00 C ATOM 544 O VAL A 47 5.697 3.966 -1.027 1.00 0.00 O ATOM 545 CB VAL A 47 5.027 1.137 -1.501 1.00 0.00 C ATOM 546 CG1 VAL A 47 5.967 0.929 -2.681 1.00 0.00 C ATOM 547 CG2 VAL A 47 4.393 -0.198 -1.127 1.00 0.00 C ATOM 0 H VAL A 47 4.282 2.670 0.801 1.00 0.00 H new ATOM 0 HA VAL A 47 6.613 1.008 -0.024 1.00 0.00 H new ATOM 0 HB VAL A 47 4.247 1.848 -1.773 1.00 0.00 H new ATOM 0 HG11 VAL A 47 5.405 0.536 -3.529 1.00 0.00 H new ATOM 0 HG12 VAL A 47 6.422 1.881 -2.956 1.00 0.00 H new ATOM 0 HG13 VAL A 47 6.748 0.221 -2.404 1.00 0.00 H new ATOM 0 HG21 VAL A 47 3.834 -0.587 -1.978 1.00 0.00 H new ATOM 0 HG22 VAL A 47 5.174 -0.907 -0.851 1.00 0.00 H new ATOM 0 HG23 VAL A 47 3.717 -0.056 -0.284 1.00 0.00 H new ATOM 557 N ASP A 48 7.708 3.124 -0.764 1.00 0.00 N ATOM 558 CA ASP A 48 8.358 4.395 -1.190 1.00 0.00 C ATOM 559 C ASP A 48 8.883 4.207 -2.615 1.00 0.00 C ATOM 560 O ASP A 48 9.814 3.463 -2.847 1.00 0.00 O ATOM 561 CB ASP A 48 9.521 4.716 -0.250 1.00 0.00 C ATOM 562 CG ASP A 48 9.115 5.854 0.687 1.00 0.00 C ATOM 563 OD1 ASP A 48 9.194 6.997 0.267 1.00 0.00 O ATOM 564 OD2 ASP A 48 8.728 5.563 1.807 1.00 0.00 O ATOM 0 H ASP A 48 8.351 2.370 -0.522 1.00 0.00 H new ATOM 0 HA ASP A 48 7.642 5.217 -1.157 1.00 0.00 H new ATOM 0 HB2 ASP A 48 9.791 3.832 0.328 1.00 0.00 H new ATOM 0 HB3 ASP A 48 10.401 5.001 -0.826 1.00 0.00 H new ATOM 569 N ALA A 49 8.277 4.851 -3.576 1.00 0.00 N ATOM 570 CA ALA A 49 8.730 4.674 -4.985 1.00 0.00 C ATOM 571 C ALA A 49 9.102 6.018 -5.615 1.00 0.00 C ATOM 572 O ALA A 49 8.812 7.073 -5.085 1.00 0.00 O ATOM 573 CB ALA A 49 7.602 4.039 -5.790 1.00 0.00 C ATOM 0 H ALA A 49 7.492 5.489 -3.447 1.00 0.00 H new ATOM 0 HA ALA A 49 9.613 4.034 -4.991 1.00 0.00 H new ATOM 0 HB1 ALA A 49 7.923 3.905 -6.823 1.00 0.00 H new ATOM 0 HB2 ALA A 49 7.349 3.070 -5.360 1.00 0.00 H new ATOM 0 HB3 ALA A 49 6.726 4.687 -5.763 1.00 0.00 H new ATOM 579 N ALA A 50 9.742 5.975 -6.755 1.00 0.00 N ATOM 580 CA ALA A 50 10.143 7.234 -7.444 1.00 0.00 C ATOM 581 C ALA A 50 9.088 7.607 -8.490 1.00 0.00 C ATOM 582 O ALA A 50 8.379 6.753 -9.018 1.00 0.00 O ATOM 583 CB ALA A 50 11.493 7.033 -8.136 1.00 0.00 C ATOM 0 H ALA A 50 10.005 5.117 -7.239 1.00 0.00 H new ATOM 0 HA ALA A 50 10.226 8.035 -6.709 1.00 0.00 H new ATOM 0 HB1 ALA A 50 11.785 7.955 -8.639 1.00 0.00 H new ATOM 0 HB2 ALA A 50 12.247 6.771 -7.394 1.00 0.00 H new ATOM 0 HB3 ALA A 50 11.410 6.230 -8.869 1.00 0.00 H new ATOM 589 N GLY A 51 8.976 8.879 -8.793 1.00 0.00 N ATOM 590 CA GLY A 51 7.970 9.326 -9.794 1.00 0.00 C ATOM 591 C GLY A 51 6.639 8.650 -9.489 1.00 0.00 C ATOM 592 O GLY A 51 6.394 8.239 -8.375 1.00 0.00 O ATOM 0 H GLY A 51 9.542 9.624 -8.386 1.00 0.00 H new ATOM 0 HA2 GLY A 51 7.859 10.410 -9.760 1.00 0.00 H new ATOM 0 HA3 GLY A 51 8.301 9.071 -10.801 1.00 0.00 H new ATOM 596 N PRO A 52 5.822 8.545 -10.491 1.00 0.00 N ATOM 597 CA PRO A 52 4.517 7.893 -10.376 1.00 0.00 C ATOM 598 C PRO A 52 4.644 6.391 -10.679 1.00 0.00 C ATOM 599 O PRO A 52 3.793 5.830 -11.337 1.00 0.00 O ATOM 600 CB PRO A 52 3.699 8.567 -11.479 1.00 0.00 C ATOM 601 CG PRO A 52 4.723 9.101 -12.518 1.00 0.00 C ATOM 602 CD PRO A 52 6.101 9.100 -11.827 1.00 0.00 C ATOM 0 HA PRO A 52 4.079 7.983 -9.382 1.00 0.00 H new ATOM 0 HB2 PRO A 52 3.011 7.859 -11.940 1.00 0.00 H new ATOM 0 HB3 PRO A 52 3.096 9.380 -11.074 1.00 0.00 H new ATOM 0 HG2 PRO A 52 4.736 8.471 -13.407 1.00 0.00 H new ATOM 0 HG3 PRO A 52 4.455 10.106 -12.844 1.00 0.00 H new ATOM 0 HD2 PRO A 52 6.821 8.490 -12.372 1.00 0.00 H new ATOM 0 HD3 PRO A 52 6.518 10.105 -11.764 1.00 0.00 H new ATOM 610 N ALA A 53 5.695 5.720 -10.252 1.00 0.00 N ATOM 611 CA ALA A 53 5.784 4.266 -10.609 1.00 0.00 C ATOM 612 C ALA A 53 6.333 3.413 -9.459 1.00 0.00 C ATOM 613 O ALA A 53 7.109 3.862 -8.641 1.00 0.00 O ATOM 614 CB ALA A 53 6.691 4.106 -11.830 1.00 0.00 C ATOM 0 H ALA A 53 6.463 6.097 -9.696 1.00 0.00 H new ATOM 0 HA ALA A 53 4.774 3.917 -10.824 1.00 0.00 H new ATOM 0 HB1 ALA A 53 6.761 3.051 -12.096 1.00 0.00 H new ATOM 0 HB2 ALA A 53 6.275 4.665 -12.668 1.00 0.00 H new ATOM 0 HB3 ALA A 53 7.685 4.488 -11.597 1.00 0.00 H new ATOM 620 N ALA A 54 5.931 2.165 -9.425 1.00 0.00 N ATOM 621 CA ALA A 54 6.404 1.214 -8.371 1.00 0.00 C ATOM 622 C ALA A 54 5.908 -0.183 -8.731 1.00 0.00 C ATOM 623 O ALA A 54 4.905 -0.331 -9.393 1.00 0.00 O ATOM 624 CB ALA A 54 5.833 1.600 -7.009 1.00 0.00 C ATOM 0 H ALA A 54 5.281 1.758 -10.098 1.00 0.00 H new ATOM 0 HA ALA A 54 7.492 1.243 -8.319 1.00 0.00 H new ATOM 0 HB1 ALA A 54 6.187 0.898 -6.254 1.00 0.00 H new ATOM 0 HB2 ALA A 54 6.160 2.607 -6.750 1.00 0.00 H new ATOM 0 HB3 ALA A 54 4.744 1.571 -7.049 1.00 0.00 H new ATOM 630 N SER A 55 6.589 -1.210 -8.308 1.00 0.00 N ATOM 631 CA SER A 55 6.127 -2.585 -8.650 1.00 0.00 C ATOM 632 C SER A 55 5.597 -3.289 -7.404 1.00 0.00 C ATOM 633 O SER A 55 5.875 -2.898 -6.291 1.00 0.00 O ATOM 634 CB SER A 55 7.281 -3.386 -9.235 1.00 0.00 C ATOM 635 OG SER A 55 8.446 -2.574 -9.278 1.00 0.00 O ATOM 0 H SER A 55 7.438 -1.160 -7.745 1.00 0.00 H new ATOM 0 HA SER A 55 5.326 -2.513 -9.385 1.00 0.00 H new ATOM 0 HB2 SER A 55 7.465 -4.274 -8.630 1.00 0.00 H new ATOM 0 HB3 SER A 55 7.027 -3.731 -10.238 1.00 0.00 H new ATOM 0 HG SER A 55 9.190 -3.089 -9.653 1.00 0.00 H new ATOM 641 N HIS A 56 4.823 -4.324 -7.589 1.00 0.00 N ATOM 642 CA HIS A 56 4.255 -5.057 -6.424 1.00 0.00 C ATOM 643 C HIS A 56 4.915 -6.426 -6.287 1.00 0.00 C ATOM 644 O HIS A 56 5.053 -7.162 -7.242 1.00 0.00 O ATOM 645 CB HIS A 56 2.759 -5.257 -6.642 1.00 0.00 C ATOM 646 CG HIS A 56 2.000 -4.185 -5.920 1.00 0.00 C ATOM 647 ND1 HIS A 56 2.011 -2.862 -6.329 1.00 0.00 N ATOM 648 CD2 HIS A 56 1.196 -4.229 -4.814 1.00 0.00 C ATOM 649 CE1 HIS A 56 1.230 -2.172 -5.479 1.00 0.00 C ATOM 650 NE2 HIS A 56 0.706 -2.961 -4.539 1.00 0.00 N ATOM 0 H HIS A 56 4.559 -4.694 -8.502 1.00 0.00 H new ATOM 0 HA HIS A 56 4.436 -4.477 -5.519 1.00 0.00 H new ATOM 0 HB2 HIS A 56 2.529 -5.226 -7.707 1.00 0.00 H new ATOM 0 HB3 HIS A 56 2.456 -6.239 -6.279 1.00 0.00 H new ATOM 0 HD1 HIS A 56 2.518 -2.481 -7.128 1.00 0.00 H new ATOM 0 HD2 HIS A 56 0.976 -5.118 -4.241 1.00 0.00 H new ATOM 0 HE1 HIS A 56 1.049 -1.110 -5.549 1.00 0.00 H new ATOM 658 N ARG A 57 5.299 -6.781 -5.093 1.00 0.00 N ATOM 659 CA ARG A 57 5.930 -8.112 -4.871 1.00 0.00 C ATOM 660 C ARG A 57 4.964 -8.979 -4.066 1.00 0.00 C ATOM 661 O ARG A 57 4.953 -8.956 -2.853 1.00 0.00 O ATOM 662 CB ARG A 57 7.250 -7.952 -4.108 1.00 0.00 C ATOM 663 CG ARG A 57 7.053 -7.047 -2.888 1.00 0.00 C ATOM 664 CD ARG A 57 7.997 -5.846 -2.985 1.00 0.00 C ATOM 665 NE ARG A 57 7.671 -5.053 -4.206 1.00 0.00 N ATOM 666 CZ ARG A 57 8.631 -4.580 -4.955 1.00 0.00 C ATOM 667 NH1 ARG A 57 9.750 -4.182 -4.413 1.00 0.00 N ATOM 668 NH2 ARG A 57 8.467 -4.502 -6.246 1.00 0.00 N ATOM 0 H ARG A 57 5.203 -6.204 -4.257 1.00 0.00 H new ATOM 0 HA ARG A 57 6.144 -8.583 -5.830 1.00 0.00 H new ATOM 0 HB2 ARG A 57 7.614 -8.929 -3.790 1.00 0.00 H new ATOM 0 HB3 ARG A 57 8.009 -7.527 -4.765 1.00 0.00 H new ATOM 0 HG2 ARG A 57 6.019 -6.707 -2.838 1.00 0.00 H new ATOM 0 HG3 ARG A 57 7.250 -7.605 -1.973 1.00 0.00 H new ATOM 0 HD2 ARG A 57 7.901 -5.222 -2.097 1.00 0.00 H new ATOM 0 HD3 ARG A 57 9.032 -6.186 -3.025 1.00 0.00 H new ATOM 0 HE ARG A 57 6.697 -4.880 -4.456 1.00 0.00 H new ATOM 0 HH11 ARG A 57 9.876 -4.240 -3.402 1.00 0.00 H new ATOM 0 HH12 ARG A 57 10.498 -3.813 -5.000 1.00 0.00 H new ATOM 0 HH21 ARG A 57 7.591 -4.810 -6.668 1.00 0.00 H new ATOM 0 HH22 ARG A 57 9.215 -4.133 -6.834 1.00 0.00 H new ATOM 682 N TYR A 58 4.142 -9.739 -4.733 1.00 0.00 N ATOM 683 CA TYR A 58 3.169 -10.595 -4.002 1.00 0.00 C ATOM 684 C TYR A 58 3.775 -11.976 -3.771 1.00 0.00 C ATOM 685 O TYR A 58 4.354 -12.561 -4.661 1.00 0.00 O ATOM 686 CB TYR A 58 1.887 -10.704 -4.827 1.00 0.00 C ATOM 687 CG TYR A 58 1.110 -9.421 -4.672 1.00 0.00 C ATOM 688 CD1 TYR A 58 0.807 -8.954 -3.394 1.00 0.00 C ATOM 689 CD2 TYR A 58 0.703 -8.693 -5.797 1.00 0.00 C ATOM 690 CE1 TYR A 58 0.096 -7.762 -3.233 1.00 0.00 C ATOM 691 CE2 TYR A 58 -0.008 -7.499 -5.634 1.00 0.00 C ATOM 692 CZ TYR A 58 -0.313 -7.035 -4.351 1.00 0.00 C ATOM 693 OH TYR A 58 -1.024 -5.864 -4.187 1.00 0.00 O ATOM 0 H TYR A 58 4.102 -9.804 -5.750 1.00 0.00 H new ATOM 0 HA TYR A 58 2.935 -10.153 -3.033 1.00 0.00 H new ATOM 0 HB2 TYR A 58 2.125 -10.879 -5.876 1.00 0.00 H new ATOM 0 HB3 TYR A 58 1.290 -11.552 -4.490 1.00 0.00 H new ATOM 0 HD1 TYR A 58 1.122 -9.515 -2.527 1.00 0.00 H new ATOM 0 HD2 TYR A 58 0.937 -9.052 -6.788 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -0.137 -7.403 -2.241 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -0.321 -6.935 -6.500 1.00 0.00 H new ATOM 0 HH TYR A 58 -0.753 -5.431 -3.351 1.00 0.00 H new ATOM 703 N VAL A 59 3.668 -12.490 -2.576 1.00 0.00 N ATOM 704 CA VAL A 59 4.263 -13.826 -2.285 1.00 0.00 C ATOM 705 C VAL A 59 3.179 -14.834 -1.883 1.00 0.00 C ATOM 706 O VAL A 59 3.332 -16.022 -2.087 1.00 0.00 O ATOM 707 CB VAL A 59 5.273 -13.687 -1.144 1.00 0.00 C ATOM 708 CG1 VAL A 59 5.707 -15.079 -0.677 1.00 0.00 C ATOM 709 CG2 VAL A 59 6.496 -12.912 -1.639 1.00 0.00 C ATOM 0 H VAL A 59 3.195 -12.044 -1.790 1.00 0.00 H new ATOM 0 HA VAL A 59 4.757 -14.191 -3.185 1.00 0.00 H new ATOM 0 HB VAL A 59 4.814 -13.151 -0.314 1.00 0.00 H new ATOM 0 HG11 VAL A 59 6.427 -14.982 0.136 1.00 0.00 H new ATOM 0 HG12 VAL A 59 4.836 -15.633 -0.327 1.00 0.00 H new ATOM 0 HG13 VAL A 59 6.168 -15.614 -1.507 1.00 0.00 H new ATOM 0 HG21 VAL A 59 7.216 -12.812 -0.827 1.00 0.00 H new ATOM 0 HG22 VAL A 59 6.956 -13.449 -2.468 1.00 0.00 H new ATOM 0 HG23 VAL A 59 6.188 -11.922 -1.975 1.00 0.00 H new ATOM 719 N LEU A 60 2.090 -14.392 -1.309 1.00 0.00 N ATOM 720 CA LEU A 60 1.033 -15.362 -0.904 1.00 0.00 C ATOM 721 C LEU A 60 -0.057 -15.410 -1.975 1.00 0.00 C ATOM 722 O LEU A 60 -0.388 -14.403 -2.566 1.00 0.00 O ATOM 723 CB LEU A 60 0.421 -14.927 0.430 1.00 0.00 C ATOM 724 CG LEU A 60 0.346 -16.128 1.374 1.00 0.00 C ATOM 725 CD1 LEU A 60 1.146 -15.836 2.643 1.00 0.00 C ATOM 726 CD2 LEU A 60 -1.115 -16.395 1.745 1.00 0.00 C ATOM 0 H LEU A 60 1.889 -13.413 -1.106 1.00 0.00 H new ATOM 0 HA LEU A 60 1.475 -16.352 -0.794 1.00 0.00 H new ATOM 0 HB2 LEU A 60 1.023 -14.136 0.878 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -0.575 -14.516 0.268 1.00 0.00 H new ATOM 0 HG LEU A 60 0.763 -17.004 0.877 1.00 0.00 H new ATOM 0 HD11 LEU A 60 1.091 -16.694 3.313 1.00 0.00 H new ATOM 0 HD12 LEU A 60 2.187 -15.647 2.381 1.00 0.00 H new ATOM 0 HD13 LEU A 60 0.732 -14.959 3.141 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -1.169 -17.251 2.418 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -1.531 -15.517 2.240 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -1.687 -16.607 0.842 1.00 0.00 H new ATOM 738 N PRO A 61 -0.584 -16.584 -2.194 1.00 0.00 N ATOM 739 CA PRO A 61 -1.645 -16.804 -3.190 1.00 0.00 C ATOM 740 C PRO A 61 -2.997 -16.363 -2.626 1.00 0.00 C ATOM 741 O PRO A 61 -3.450 -16.863 -1.615 1.00 0.00 O ATOM 742 CB PRO A 61 -1.616 -18.314 -3.415 1.00 0.00 C ATOM 743 CG PRO A 61 -0.962 -18.933 -2.156 1.00 0.00 C ATOM 744 CD PRO A 61 -0.171 -17.803 -1.471 1.00 0.00 C ATOM 0 HA PRO A 61 -1.498 -16.239 -4.110 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -2.623 -18.704 -3.560 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -1.046 -18.562 -4.310 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -1.720 -19.338 -1.485 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -0.303 -19.758 -2.427 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -0.409 -17.737 -0.409 1.00 0.00 H new ATOM 0 HD3 PRO A 61 0.904 -17.966 -1.547 1.00 0.00 H new ATOM 752 N GLY A 62 -3.644 -15.433 -3.269 1.00 0.00 N ATOM 753 CA GLY A 62 -4.965 -14.963 -2.767 1.00 0.00 C ATOM 754 C GLY A 62 -5.270 -13.578 -3.338 1.00 0.00 C ATOM 755 O GLY A 62 -4.947 -13.277 -4.467 1.00 0.00 O ATOM 0 H GLY A 62 -3.316 -14.978 -4.121 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -5.746 -15.666 -3.056 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -4.958 -14.924 -1.678 1.00 0.00 H new ATOM 759 N ARG A 63 -5.894 -12.732 -2.565 1.00 0.00 N ATOM 760 CA ARG A 63 -6.222 -11.369 -3.067 1.00 0.00 C ATOM 761 C ARG A 63 -5.399 -10.331 -2.305 1.00 0.00 C ATOM 762 O ARG A 63 -4.986 -10.547 -1.184 1.00 0.00 O ATOM 763 CB ARG A 63 -7.712 -11.092 -2.854 1.00 0.00 C ATOM 764 CG ARG A 63 -8.178 -10.011 -3.833 1.00 0.00 C ATOM 765 CD ARG A 63 -9.366 -9.254 -3.235 1.00 0.00 C ATOM 766 NE ARG A 63 -10.458 -10.215 -2.918 1.00 0.00 N ATOM 767 CZ ARG A 63 -11.385 -10.463 -3.802 1.00 0.00 C ATOM 768 NH1 ARG A 63 -11.152 -11.305 -4.771 1.00 0.00 N ATOM 769 NH2 ARG A 63 -12.543 -9.868 -3.717 1.00 0.00 N ATOM 0 H ARG A 63 -6.190 -12.926 -1.608 1.00 0.00 H new ATOM 0 HA ARG A 63 -5.988 -11.309 -4.130 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -8.287 -12.006 -3.004 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -7.889 -10.769 -1.828 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -7.362 -9.320 -4.043 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -8.463 -10.464 -4.782 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -9.058 -8.727 -2.332 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -9.722 -8.501 -3.938 1.00 0.00 H new ATOM 0 HE ARG A 63 -10.481 -10.679 -2.010 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -10.246 -11.769 -4.837 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -11.876 -11.500 -5.463 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -12.723 -9.209 -2.960 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -13.268 -10.062 -4.408 1.00 0.00 H new ATOM 783 N TYR A 64 -5.159 -9.205 -2.914 1.00 0.00 N ATOM 784 CA TYR A 64 -4.366 -8.141 -2.244 1.00 0.00 C ATOM 785 C TYR A 64 -5.003 -6.783 -2.539 1.00 0.00 C ATOM 786 O TYR A 64 -5.841 -6.656 -3.411 1.00 0.00 O ATOM 787 CB TYR A 64 -2.947 -8.141 -2.808 1.00 0.00 C ATOM 788 CG TYR A 64 -2.137 -9.275 -2.227 1.00 0.00 C ATOM 789 CD1 TYR A 64 -1.506 -9.134 -0.980 1.00 0.00 C ATOM 790 CD2 TYR A 64 -1.983 -10.458 -2.957 1.00 0.00 C ATOM 791 CE1 TYR A 64 -0.723 -10.177 -0.473 1.00 0.00 C ATOM 792 CE2 TYR A 64 -1.206 -11.500 -2.445 1.00 0.00 C ATOM 793 CZ TYR A 64 -0.573 -11.360 -1.205 1.00 0.00 C ATOM 794 OH TYR A 64 0.210 -12.384 -0.708 1.00 0.00 O ATOM 0 H TYR A 64 -5.481 -8.975 -3.854 1.00 0.00 H new ATOM 0 HA TYR A 64 -4.344 -8.324 -1.170 1.00 0.00 H new ATOM 0 HB2 TYR A 64 -2.983 -8.233 -3.894 1.00 0.00 H new ATOM 0 HB3 TYR A 64 -2.462 -7.191 -2.584 1.00 0.00 H new ATOM 0 HD1 TYR A 64 -1.625 -8.222 -0.414 1.00 0.00 H new ATOM 0 HD2 TYR A 64 -2.465 -10.566 -3.917 1.00 0.00 H new ATOM 0 HE1 TYR A 64 -0.234 -10.069 0.484 1.00 0.00 H new ATOM 0 HE2 TYR A 64 -1.094 -12.415 -3.007 1.00 0.00 H new ATOM 0 HH TYR A 64 0.584 -12.119 0.158 1.00 0.00 H new ATOM 804 N HIS A 65 -4.595 -5.763 -1.836 1.00 0.00 N ATOM 805 CA HIS A 65 -5.156 -4.408 -2.088 1.00 0.00 C ATOM 806 C HIS A 65 -4.001 -3.440 -2.346 1.00 0.00 C ATOM 807 O HIS A 65 -2.939 -3.566 -1.770 1.00 0.00 O ATOM 808 CB HIS A 65 -5.954 -3.942 -0.868 1.00 0.00 C ATOM 809 CG HIS A 65 -6.633 -2.640 -1.188 1.00 0.00 C ATOM 810 ND1 HIS A 65 -7.847 -2.583 -1.854 1.00 0.00 N ATOM 811 CD2 HIS A 65 -6.277 -1.336 -0.946 1.00 0.00 C ATOM 812 CE1 HIS A 65 -8.175 -1.285 -1.990 1.00 0.00 C ATOM 813 NE2 HIS A 65 -7.252 -0.482 -1.453 1.00 0.00 N ATOM 0 H HIS A 65 -3.895 -5.811 -1.096 1.00 0.00 H new ATOM 0 HA HIS A 65 -5.819 -4.437 -2.953 1.00 0.00 H new ATOM 0 HB2 HIS A 65 -6.694 -4.694 -0.594 1.00 0.00 H new ATOM 0 HB3 HIS A 65 -5.292 -3.819 -0.011 1.00 0.00 H new ATOM 0 HD2 HIS A 65 -5.377 -1.021 -0.439 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -9.075 -0.935 -2.474 1.00 0.00 H new ATOM 0 HE2 HIS A 65 -7.260 0.537 -1.421 1.00 0.00 H new ATOM 821 N VAL A 66 -4.186 -2.487 -3.216 1.00 0.00 N ATOM 822 CA VAL A 66 -3.079 -1.534 -3.511 1.00 0.00 C ATOM 823 C VAL A 66 -3.550 -0.091 -3.349 1.00 0.00 C ATOM 824 O VAL A 66 -4.690 0.233 -3.598 1.00 0.00 O ATOM 825 CB VAL A 66 -2.616 -1.737 -4.949 1.00 0.00 C ATOM 826 CG1 VAL A 66 -1.396 -0.856 -5.221 1.00 0.00 C ATOM 827 CG2 VAL A 66 -2.250 -3.205 -5.160 1.00 0.00 C ATOM 0 H VAL A 66 -5.050 -2.327 -3.733 1.00 0.00 H new ATOM 0 HA VAL A 66 -2.263 -1.722 -2.813 1.00 0.00 H new ATOM 0 HB VAL A 66 -3.418 -1.462 -5.635 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -1.065 -1.001 -6.249 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -1.662 0.190 -5.069 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -0.591 -1.129 -4.539 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -1.918 -3.353 -6.188 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -1.447 -3.482 -4.476 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -3.123 -3.829 -4.967 1.00 0.00 H new ATOM 837 N THR A 67 -2.660 0.777 -2.954 1.00 0.00 N ATOM 838 CA THR A 67 -3.011 2.216 -2.795 1.00 0.00 C ATOM 839 C THR A 67 -1.754 3.042 -3.066 1.00 0.00 C ATOM 840 O THR A 67 -0.652 2.526 -3.020 1.00 0.00 O ATOM 841 CB THR A 67 -3.505 2.496 -1.370 1.00 0.00 C ATOM 842 OG1 THR A 67 -2.446 3.058 -0.607 1.00 0.00 O ATOM 843 CG2 THR A 67 -3.978 1.199 -0.709 1.00 0.00 C ATOM 0 H THR A 67 -1.691 0.547 -2.732 1.00 0.00 H new ATOM 0 HA THR A 67 -3.807 2.479 -3.492 1.00 0.00 H new ATOM 0 HB THR A 67 -4.340 3.195 -1.414 1.00 0.00 H new ATOM 0 HG1 THR A 67 -2.759 3.239 0.304 1.00 0.00 H new ATOM 0 HG21 THR A 67 -4.326 1.412 0.302 1.00 0.00 H new ATOM 0 HG22 THR A 67 -4.794 0.771 -1.291 1.00 0.00 H new ATOM 0 HG23 THR A 67 -3.151 0.490 -0.666 1.00 0.00 H new ATOM 851 N ALA A 68 -1.895 4.310 -3.352 1.00 0.00 N ATOM 852 CA ALA A 68 -0.678 5.136 -3.624 1.00 0.00 C ATOM 853 C ALA A 68 -0.899 6.591 -3.201 1.00 0.00 C ATOM 854 O ALA A 68 -2.009 7.070 -3.110 1.00 0.00 O ATOM 855 CB ALA A 68 -0.344 5.096 -5.118 1.00 0.00 C ATOM 0 H ALA A 68 -2.785 4.805 -3.409 1.00 0.00 H new ATOM 0 HA ALA A 68 0.148 4.721 -3.046 1.00 0.00 H new ATOM 0 HB1 ALA A 68 0.543 5.700 -5.309 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -0.154 4.066 -5.421 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -1.183 5.494 -5.689 1.00 0.00 H new ATOM 861 N VAL A 69 0.170 7.296 -2.957 1.00 0.00 N ATOM 862 CA VAL A 69 0.074 8.725 -2.557 1.00 0.00 C ATOM 863 C VAL A 69 1.276 9.455 -3.150 1.00 0.00 C ATOM 864 O VAL A 69 2.386 9.306 -2.684 1.00 0.00 O ATOM 865 CB VAL A 69 0.115 8.855 -1.032 1.00 0.00 C ATOM 866 CG1 VAL A 69 -1.046 9.736 -0.566 1.00 0.00 C ATOM 867 CG2 VAL A 69 0.001 7.473 -0.382 1.00 0.00 C ATOM 0 H VAL A 69 1.122 6.935 -3.019 1.00 0.00 H new ATOM 0 HA VAL A 69 -0.863 9.149 -2.918 1.00 0.00 H new ATOM 0 HB VAL A 69 1.062 9.308 -0.738 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -1.019 9.830 0.520 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -0.957 10.724 -1.018 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -1.990 9.283 -0.867 1.00 0.00 H new ATOM 0 HG21 VAL A 69 0.031 7.577 0.703 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -0.941 7.009 -0.676 1.00 0.00 H new ATOM 0 HG23 VAL A 69 0.831 6.847 -0.710 1.00 0.00 H new ATOM 877 N LEU A 70 1.085 10.238 -4.172 1.00 0.00 N ATOM 878 CA LEU A 70 2.256 10.941 -4.767 1.00 0.00 C ATOM 879 C LEU A 70 2.473 12.257 -4.041 1.00 0.00 C ATOM 880 O LEU A 70 1.535 12.927 -3.666 1.00 0.00 O ATOM 881 CB LEU A 70 2.034 11.258 -6.251 1.00 0.00 C ATOM 882 CG LEU A 70 0.924 10.408 -6.867 1.00 0.00 C ATOM 883 CD1 LEU A 70 0.892 10.705 -8.359 1.00 0.00 C ATOM 884 CD2 LEU A 70 1.201 8.918 -6.670 1.00 0.00 C ATOM 0 H LEU A 70 0.185 10.421 -4.616 1.00 0.00 H new ATOM 0 HA LEU A 70 3.119 10.282 -4.668 1.00 0.00 H new ATOM 0 HB2 LEU A 70 1.784 12.313 -6.361 1.00 0.00 H new ATOM 0 HB3 LEU A 70 2.962 11.092 -6.798 1.00 0.00 H new ATOM 0 HG LEU A 70 -0.025 10.647 -6.387 1.00 0.00 H new ATOM 0 HD11 LEU A 70 0.108 10.113 -8.831 1.00 0.00 H new ATOM 0 HD12 LEU A 70 0.690 11.765 -8.515 1.00 0.00 H new ATOM 0 HD13 LEU A 70 1.855 10.451 -8.801 1.00 0.00 H new ATOM 0 HD21 LEU A 70 0.396 8.336 -7.118 1.00 0.00 H new ATOM 0 HD22 LEU A 70 2.146 8.657 -7.147 1.00 0.00 H new ATOM 0 HD23 LEU A 70 1.259 8.697 -5.604 1.00 0.00 H new ATOM 896 N ALA A 71 3.701 12.645 -3.850 1.00 0.00 N ATOM 897 CA ALA A 71 3.954 13.935 -3.163 1.00 0.00 C ATOM 898 C ALA A 71 4.907 14.776 -3.992 1.00 0.00 C ATOM 899 O ALA A 71 6.058 14.438 -4.187 1.00 0.00 O ATOM 900 CB ALA A 71 4.565 13.711 -1.790 1.00 0.00 C ATOM 0 H ALA A 71 4.532 12.129 -4.138 1.00 0.00 H new ATOM 0 HA ALA A 71 3.000 14.449 -3.046 1.00 0.00 H new ATOM 0 HB1 ALA A 71 4.740 14.673 -1.308 1.00 0.00 H new ATOM 0 HB2 ALA A 71 3.883 13.119 -1.180 1.00 0.00 H new ATOM 0 HB3 ALA A 71 5.511 13.180 -1.895 1.00 0.00 H new ATOM 906 N LEU A 72 4.428 15.874 -4.467 1.00 0.00 N ATOM 907 CA LEU A 72 5.278 16.779 -5.282 1.00 0.00 C ATOM 908 C LEU A 72 5.653 18.001 -4.449 1.00 0.00 C ATOM 909 O LEU A 72 6.505 18.784 -4.818 1.00 0.00 O ATOM 910 CB LEU A 72 4.478 17.235 -6.490 1.00 0.00 C ATOM 911 CG LEU A 72 4.773 16.319 -7.676 1.00 0.00 C ATOM 912 CD1 LEU A 72 3.802 16.634 -8.814 1.00 0.00 C ATOM 913 CD2 LEU A 72 6.211 16.555 -8.145 1.00 0.00 C ATOM 0 H LEU A 72 3.470 16.195 -4.327 1.00 0.00 H new ATOM 0 HA LEU A 72 6.182 16.258 -5.599 1.00 0.00 H new ATOM 0 HB2 LEU A 72 3.413 17.218 -6.261 1.00 0.00 H new ATOM 0 HB3 LEU A 72 4.734 18.265 -6.740 1.00 0.00 H new ATOM 0 HG LEU A 72 4.653 15.277 -7.378 1.00 0.00 H new ATOM 0 HD11 LEU A 72 4.011 15.981 -9.662 1.00 0.00 H new ATOM 0 HD12 LEU A 72 2.779 16.472 -8.475 1.00 0.00 H new ATOM 0 HD13 LEU A 72 3.923 17.674 -9.118 1.00 0.00 H new ATOM 0 HD21 LEU A 72 6.429 15.904 -8.992 1.00 0.00 H new ATOM 0 HD22 LEU A 72 6.329 17.596 -8.447 1.00 0.00 H new ATOM 0 HD23 LEU A 72 6.900 16.333 -7.330 1.00 0.00 H new ATOM 925 N GLY A 73 5.001 18.175 -3.340 1.00 0.00 N ATOM 926 CA GLY A 73 5.280 19.355 -2.478 1.00 0.00 C ATOM 927 C GLY A 73 4.081 20.295 -2.564 1.00 0.00 C ATOM 928 O GLY A 73 3.569 20.764 -1.566 1.00 0.00 O ATOM 0 H GLY A 73 4.279 17.546 -2.988 1.00 0.00 H new ATOM 0 HA2 GLY A 73 5.447 19.043 -1.447 1.00 0.00 H new ATOM 0 HA3 GLY A 73 6.187 19.862 -2.808 1.00 0.00 H new ATOM 932 N ALA A 74 3.621 20.559 -3.757 1.00 0.00 N ATOM 933 CA ALA A 74 2.443 21.452 -3.933 1.00 0.00 C ATOM 934 C ALA A 74 1.280 20.663 -4.550 1.00 0.00 C ATOM 935 O ALA A 74 0.184 21.168 -4.689 1.00 0.00 O ATOM 936 CB ALA A 74 2.817 22.608 -4.861 1.00 0.00 C ATOM 0 H ALA A 74 4.015 20.191 -4.623 1.00 0.00 H new ATOM 0 HA ALA A 74 2.140 21.842 -2.962 1.00 0.00 H new ATOM 0 HB1 ALA A 74 1.956 23.263 -4.991 1.00 0.00 H new ATOM 0 HB2 ALA A 74 3.640 23.173 -4.424 1.00 0.00 H new ATOM 0 HB3 ALA A 74 3.122 22.213 -5.830 1.00 0.00 H new ATOM 942 N GLY A 75 1.508 19.431 -4.925 1.00 0.00 N ATOM 943 CA GLY A 75 0.416 18.618 -5.533 1.00 0.00 C ATOM 944 C GLY A 75 0.582 17.152 -5.126 1.00 0.00 C ATOM 945 O GLY A 75 1.667 16.704 -4.813 1.00 0.00 O ATOM 0 H GLY A 75 2.405 18.953 -4.836 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -0.554 18.990 -5.204 1.00 0.00 H new ATOM 0 HA3 GLY A 75 0.441 18.710 -6.619 1.00 0.00 H new ATOM 949 N SER A 76 -0.486 16.403 -5.117 1.00 0.00 N ATOM 950 CA SER A 76 -0.395 14.971 -4.722 1.00 0.00 C ATOM 951 C SER A 76 -1.479 14.168 -5.443 1.00 0.00 C ATOM 952 O SER A 76 -2.322 14.718 -6.125 1.00 0.00 O ATOM 953 CB SER A 76 -0.607 14.866 -3.213 1.00 0.00 C ATOM 954 OG SER A 76 -2.000 14.908 -2.933 1.00 0.00 O ATOM 0 H SER A 76 -1.421 16.724 -5.367 1.00 0.00 H new ATOM 0 HA SER A 76 0.584 14.574 -4.992 1.00 0.00 H new ATOM 0 HB2 SER A 76 -0.176 13.938 -2.837 1.00 0.00 H new ATOM 0 HB3 SER A 76 -0.097 15.684 -2.704 1.00 0.00 H new ATOM 0 HG SER A 76 -2.141 14.839 -1.966 1.00 0.00 H new ATOM 960 N ALA A 77 -1.468 12.872 -5.298 1.00 0.00 N ATOM 961 CA ALA A 77 -2.501 12.037 -5.972 1.00 0.00 C ATOM 962 C ALA A 77 -2.734 10.761 -5.158 1.00 0.00 C ATOM 963 O ALA A 77 -1.803 10.117 -4.718 1.00 0.00 O ATOM 964 CB ALA A 77 -2.016 11.676 -7.374 1.00 0.00 C ATOM 0 H ALA A 77 -0.788 12.355 -4.741 1.00 0.00 H new ATOM 0 HA ALA A 77 -3.437 12.592 -6.044 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -2.768 11.065 -7.873 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -1.851 12.588 -7.948 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -1.083 11.117 -7.304 1.00 0.00 H new ATOM 970 N LEU A 78 -3.971 10.395 -4.948 1.00 0.00 N ATOM 971 CA LEU A 78 -4.261 9.168 -4.151 1.00 0.00 C ATOM 972 C LEU A 78 -4.572 7.995 -5.078 1.00 0.00 C ATOM 973 O LEU A 78 -5.190 8.151 -6.112 1.00 0.00 O ATOM 974 CB LEU A 78 -5.459 9.425 -3.238 1.00 0.00 C ATOM 975 CG LEU A 78 -5.015 9.332 -1.778 1.00 0.00 C ATOM 976 CD1 LEU A 78 -4.607 10.717 -1.274 1.00 0.00 C ATOM 977 CD2 LEU A 78 -6.173 8.807 -0.929 1.00 0.00 C ATOM 0 H LEU A 78 -4.792 10.892 -5.294 1.00 0.00 H new ATOM 0 HA LEU A 78 -3.385 8.922 -3.551 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -5.879 10.410 -3.440 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -6.245 8.697 -3.438 1.00 0.00 H new ATOM 0 HG LEU A 78 -4.165 8.654 -1.702 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -4.291 10.647 -0.233 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -3.783 11.096 -1.879 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -5.456 11.397 -1.351 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -5.859 8.740 0.113 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -7.021 9.487 -1.009 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -6.466 7.819 -1.284 1.00 0.00 H new ATOM 989 N LEU A 79 -4.135 6.820 -4.711 1.00 0.00 N ATOM 990 CA LEU A 79 -4.385 5.628 -5.560 1.00 0.00 C ATOM 991 C LEU A 79 -5.022 4.522 -4.729 1.00 0.00 C ATOM 992 O LEU A 79 -4.893 4.485 -3.521 1.00 0.00 O ATOM 993 CB LEU A 79 -3.046 5.126 -6.091 1.00 0.00 C ATOM 994 CG LEU A 79 -3.047 5.003 -7.612 1.00 0.00 C ATOM 995 CD1 LEU A 79 -3.026 3.520 -7.997 1.00 0.00 C ATOM 996 CD2 LEU A 79 -4.282 5.679 -8.207 1.00 0.00 C ATOM 0 H LEU A 79 -3.613 6.638 -3.854 1.00 0.00 H new ATOM 0 HA LEU A 79 -5.053 5.896 -6.378 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -2.254 5.809 -5.783 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -2.821 4.156 -5.648 1.00 0.00 H new ATOM 0 HG LEU A 79 -2.162 5.499 -8.009 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -3.027 3.426 -9.083 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -2.129 3.052 -7.593 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -3.908 3.026 -7.590 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -4.264 5.580 -9.292 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -5.181 5.204 -7.815 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -4.283 6.736 -7.939 1.00 0.00 H new ATOM 1008 N GLY A 80 -5.695 3.612 -5.378 1.00 0.00 N ATOM 1009 CA GLY A 80 -6.344 2.489 -4.649 1.00 0.00 C ATOM 1010 C GLY A 80 -6.756 1.401 -5.648 1.00 0.00 C ATOM 1011 O GLY A 80 -7.882 1.360 -6.100 1.00 0.00 O ATOM 0 H GLY A 80 -5.823 3.599 -6.390 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -5.658 2.077 -3.909 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -7.218 2.850 -4.107 1.00 0.00 H new ATOM 1015 N THR A 81 -5.854 0.521 -5.996 1.00 0.00 N ATOM 1016 CA THR A 81 -6.198 -0.561 -6.972 1.00 0.00 C ATOM 1017 C THR A 81 -6.412 -1.887 -6.233 1.00 0.00 C ATOM 1018 O THR A 81 -6.255 -1.974 -5.033 1.00 0.00 O ATOM 1019 CB THR A 81 -5.058 -0.736 -7.988 1.00 0.00 C ATOM 1020 OG1 THR A 81 -4.307 -1.897 -7.660 1.00 0.00 O ATOM 1021 CG2 THR A 81 -4.135 0.483 -7.969 1.00 0.00 C ATOM 0 H THR A 81 -4.895 0.503 -5.649 1.00 0.00 H new ATOM 0 HA THR A 81 -7.113 -0.279 -7.492 1.00 0.00 H new ATOM 0 HB THR A 81 -5.488 -0.840 -8.984 1.00 0.00 H new ATOM 0 HG1 THR A 81 -4.067 -2.374 -8.482 1.00 0.00 H new ATOM 0 HG21 THR A 81 -3.333 0.343 -8.694 1.00 0.00 H new ATOM 0 HG22 THR A 81 -4.706 1.375 -8.226 1.00 0.00 H new ATOM 0 HG23 THR A 81 -3.708 0.600 -6.973 1.00 0.00 H new ATOM 1029 N ASP A 82 -6.760 -2.922 -6.954 1.00 0.00 N ATOM 1030 CA ASP A 82 -6.974 -4.255 -6.318 1.00 0.00 C ATOM 1031 C ASP A 82 -6.020 -5.265 -6.964 1.00 0.00 C ATOM 1032 O ASP A 82 -5.548 -5.060 -8.065 1.00 0.00 O ATOM 1033 CB ASP A 82 -8.423 -4.701 -6.536 1.00 0.00 C ATOM 1034 CG ASP A 82 -8.622 -6.108 -5.965 1.00 0.00 C ATOM 1035 OD1 ASP A 82 -8.515 -6.258 -4.758 1.00 0.00 O ATOM 1036 OD2 ASP A 82 -8.876 -7.013 -6.744 1.00 0.00 O ATOM 0 H ASP A 82 -6.906 -2.900 -7.963 1.00 0.00 H new ATOM 0 HA ASP A 82 -6.779 -4.193 -5.247 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -9.105 -4.002 -6.052 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -8.660 -4.693 -7.600 1.00 0.00 H new ATOM 1041 N VAL A 83 -5.719 -6.346 -6.293 1.00 0.00 N ATOM 1042 CA VAL A 83 -4.782 -7.346 -6.881 1.00 0.00 C ATOM 1043 C VAL A 83 -5.299 -8.767 -6.634 1.00 0.00 C ATOM 1044 O VAL A 83 -5.851 -9.066 -5.597 1.00 0.00 O ATOM 1045 CB VAL A 83 -3.409 -7.175 -6.227 1.00 0.00 C ATOM 1046 CG1 VAL A 83 -2.551 -8.425 -6.448 1.00 0.00 C ATOM 1047 CG2 VAL A 83 -2.712 -5.961 -6.840 1.00 0.00 C ATOM 0 H VAL A 83 -6.080 -6.578 -5.368 1.00 0.00 H new ATOM 0 HA VAL A 83 -4.707 -7.187 -7.957 1.00 0.00 H new ATOM 0 HB VAL A 83 -3.540 -7.028 -5.155 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -1.578 -8.286 -5.977 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -3.048 -9.290 -6.008 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -2.416 -8.589 -7.517 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -1.733 -5.832 -6.379 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -2.591 -6.114 -7.912 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -3.315 -5.069 -6.666 1.00 0.00 H new ATOM 1057 N GLN A 84 -5.109 -9.646 -7.585 1.00 0.00 N ATOM 1058 CA GLN A 84 -5.571 -11.053 -7.418 1.00 0.00 C ATOM 1059 C GLN A 84 -4.442 -12.009 -7.828 1.00 0.00 C ATOM 1060 O GLN A 84 -4.196 -12.229 -8.996 1.00 0.00 O ATOM 1061 CB GLN A 84 -6.793 -11.293 -8.304 1.00 0.00 C ATOM 1062 CG GLN A 84 -7.413 -12.649 -7.964 1.00 0.00 C ATOM 1063 CD GLN A 84 -8.929 -12.498 -7.829 1.00 0.00 C ATOM 1064 OE1 GLN A 84 -9.502 -11.539 -8.308 1.00 0.00 O ATOM 1065 NE2 GLN A 84 -9.607 -13.412 -7.192 1.00 0.00 N ATOM 0 H GLN A 84 -4.651 -9.446 -8.474 1.00 0.00 H new ATOM 0 HA GLN A 84 -5.838 -11.232 -6.376 1.00 0.00 H new ATOM 0 HB2 GLN A 84 -7.525 -10.499 -8.155 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -6.504 -11.267 -9.355 1.00 0.00 H new ATOM 0 HG2 GLN A 84 -7.177 -13.374 -8.743 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -6.991 -13.031 -7.035 1.00 0.00 H new ATOM 0 HE21 GLN A 84 -9.126 -14.217 -6.790 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -10.618 -13.322 -7.096 1.00 0.00 H new ATOM 1074 N VAL A 85 -3.751 -12.569 -6.871 1.00 0.00 N ATOM 1075 CA VAL A 85 -2.630 -13.501 -7.194 1.00 0.00 C ATOM 1076 C VAL A 85 -3.078 -14.948 -6.963 1.00 0.00 C ATOM 1077 O VAL A 85 -3.783 -15.247 -6.021 1.00 0.00 O ATOM 1078 CB VAL A 85 -1.441 -13.157 -6.292 1.00 0.00 C ATOM 1079 CG1 VAL A 85 -0.307 -14.170 -6.483 1.00 0.00 C ATOM 1080 CG2 VAL A 85 -0.944 -11.761 -6.663 1.00 0.00 C ATOM 0 H VAL A 85 -3.915 -12.421 -5.875 1.00 0.00 H new ATOM 0 HA VAL A 85 -2.338 -13.397 -8.239 1.00 0.00 H new ATOM 0 HB VAL A 85 -1.756 -13.188 -5.249 1.00 0.00 H new ATOM 0 HG11 VAL A 85 0.528 -13.908 -5.833 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -0.664 -15.168 -6.230 1.00 0.00 H new ATOM 0 HG13 VAL A 85 0.023 -14.155 -7.522 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -0.096 -11.497 -6.031 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -0.635 -11.751 -7.708 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -1.746 -11.038 -6.515 1.00 0.00 H new ATOM 1090 N GLU A 86 -2.681 -15.849 -7.824 1.00 0.00 N ATOM 1091 CA GLU A 86 -3.092 -17.275 -7.663 1.00 0.00 C ATOM 1092 C GLU A 86 -1.914 -18.100 -7.140 1.00 0.00 C ATOM 1093 O GLU A 86 -0.869 -17.572 -6.823 1.00 0.00 O ATOM 1094 CB GLU A 86 -3.540 -17.828 -9.018 1.00 0.00 C ATOM 1095 CG GLU A 86 -4.347 -16.762 -9.764 1.00 0.00 C ATOM 1096 CD GLU A 86 -4.939 -17.368 -11.039 1.00 0.00 C ATOM 1097 OE1 GLU A 86 -5.560 -18.414 -10.941 1.00 0.00 O ATOM 1098 OE2 GLU A 86 -4.760 -16.776 -12.090 1.00 0.00 O ATOM 0 H GLU A 86 -2.089 -15.658 -8.633 1.00 0.00 H new ATOM 0 HA GLU A 86 -3.915 -17.335 -6.951 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -2.672 -18.121 -9.608 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -4.145 -18.723 -8.875 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -5.144 -16.381 -9.126 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -3.707 -15.916 -10.014 1.00 0.00 H new ATOM 1105 N ALA A 87 -2.075 -19.395 -7.043 1.00 0.00 N ATOM 1106 CA ALA A 87 -0.962 -20.251 -6.538 1.00 0.00 C ATOM 1107 C ALA A 87 -0.740 -21.429 -7.489 1.00 0.00 C ATOM 1108 O ALA A 87 0.316 -21.576 -8.069 1.00 0.00 O ATOM 1109 CB ALA A 87 -1.316 -20.790 -5.152 1.00 0.00 C ATOM 0 H ALA A 87 -2.928 -19.895 -7.292 1.00 0.00 H new ATOM 0 HA ALA A 87 -0.053 -19.652 -6.480 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -0.501 -21.415 -4.786 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -1.471 -19.957 -4.466 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -2.228 -21.383 -5.214 1.00 0.00 H new