USER MOD reduce.3.24.130724 H: found=0, std=0, add=786, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 786 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 27 GLN :FLIP amide:sc= -2.6 F(o=-2.8,f=-1.8) USER MOD Set 1.2: A 84 SER OG : rot 87:sc= 0.827 USER MOD Set 1.3: A 105 MET CE :methyl -166:sc= 0 (180deg=0) USER MOD Set 2.1: A 28 LYS NZ :NH3+ -108:sc= 0.185 (180deg=0) USER MOD Set 2.2: A 32 THR OG1 : rot 180:sc= 0.0533 USER MOD Single : A 1 SER N :NH3+ 150:sc= -5.26! (180deg=-8.29!) USER MOD Single : A 1 SER OG : rot -142:sc= -1.82! USER MOD Single : A 3 THR OG1 : rot -53:sc= 0.756 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 16 GLN : amide:sc= -6.84! C(o=-6.8!,f=-10!) USER MOD Single : A 18 CYS SG : rot 180:sc= 0 USER MOD Single : A 19 GLN : amide:sc= -3.89! C(o=-3.9!,f=-7!) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 GLN :FLIP amide:sc= -0.297 F(o=-2.9,f=-0.3) USER MOD Single : A 33 SER OG : rot -79:sc= -3.38! USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 165:sc= -0.0295 (180deg=-0.299) USER MOD Single : A 38 MET CE :methyl 165:sc= -4.24! (180deg=-4.73!) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 180:sc= -0.0584 USER MOD Single : A 42 GLN : amide:sc= -9.05! C(o=-9!,f=-16!) USER MOD Single : A 44 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0216) USER MOD Single : A 52 ASN : amide:sc= -3.48 X(o=-3.5,f=-3.4!) USER MOD Single : A 54 GLN :FLIP amide:sc= -13.6! C(o=-17!,f=-14!) USER MOD Single : A 55 SER OG : rot -46:sc= 0.851 USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 TYR OH : rot 143:sc= 0.0646 USER MOD Single : A 68 GLN : amide:sc= 0 X(o=0,f=-0.23) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 GLN :FLIP amide:sc= -0.247 F(o=-2,f=-0.25) USER MOD Single : A 72 SER OG : rot -13:sc= 0.971 USER MOD Single : A 78 THR OG1 : rot 180:sc= 0.144 USER MOD Single : A 80 SER OG : rot 162:sc= -0.0448 USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 MET CE :methyl 141:sc= -4.28 (180deg=-6.2!) USER MOD Single : A 91 ASN :FLIP amide:sc= -5.45! C(o=-9!,f=-5.4!) USER MOD Single : A 96 LYS NZ :NH3+ -125:sc= 0.262 (180deg=-0.134) USER MOD Single : A 103 GLN : amide:sc= -3.65! C(o=-3.6!,f=-9.2!) USER MOD Single : A 107 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 108 SER OG : rot -49:sc= 0.723 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 7.270 -3.572 -1.342 1.00 0.00 N ATOM 2 CA SER A 1 7.664 -4.726 -2.184 1.00 0.00 C ATOM 3 C SER A 1 6.568 -5.048 -3.194 1.00 0.00 C ATOM 4 O SER A 1 5.665 -5.821 -2.919 1.00 0.00 O ATOM 5 CB SER A 1 7.958 -5.942 -1.293 1.00 0.00 C ATOM 6 OG SER A 1 6.786 -6.676 -1.006 1.00 0.00 O ATOM 0 H1 SER A 1 7.706 -3.663 -0.402 1.00 0.00 H new ATOM 0 H2 SER A 1 7.592 -2.690 -1.789 1.00 0.00 H new ATOM 0 H3 SER A 1 6.235 -3.552 -1.243 1.00 0.00 H new ATOM 0 HA SER A 1 8.568 -4.471 -2.738 1.00 0.00 H new ATOM 0 HB2 SER A 1 8.681 -6.590 -1.789 1.00 0.00 H new ATOM 0 HB3 SER A 1 8.415 -5.608 -0.362 1.00 0.00 H new ATOM 0 HG SER A 1 6.818 -6.994 -0.079 1.00 0.00 H new ATOM 14 N ILE A 2 6.629 -4.406 -4.349 1.00 0.00 N ATOM 15 CA ILE A 2 5.625 -4.610 -5.389 1.00 0.00 C ATOM 16 C ILE A 2 6.040 -5.625 -6.479 1.00 0.00 C ATOM 17 O ILE A 2 5.305 -5.820 -7.438 1.00 0.00 O ATOM 18 CB ILE A 2 5.294 -3.224 -6.010 1.00 0.00 C ATOM 19 CG1 ILE A 2 3.848 -2.757 -5.717 1.00 0.00 C ATOM 20 CG2 ILE A 2 5.605 -3.153 -7.500 1.00 0.00 C ATOM 21 CD1 ILE A 2 2.842 -3.846 -5.436 1.00 0.00 C ATOM 0 H ILE A 2 7.361 -3.739 -4.593 1.00 0.00 H new ATOM 0 HA ILE A 2 4.745 -5.054 -4.925 1.00 0.00 H new ATOM 0 HB ILE A 2 5.961 -2.523 -5.508 1.00 0.00 H new ATOM 0 HG12 ILE A 2 3.872 -2.083 -4.861 1.00 0.00 H new ATOM 0 HG13 ILE A 2 3.496 -2.176 -6.570 1.00 0.00 H new ATOM 0 HG21 ILE A 2 5.353 -2.162 -7.877 1.00 0.00 H new ATOM 0 HG22 ILE A 2 6.666 -3.343 -7.660 1.00 0.00 H new ATOM 0 HG23 ILE A 2 5.018 -3.903 -8.030 1.00 0.00 H new ATOM 0 HD11 ILE A 2 1.866 -3.399 -5.245 1.00 0.00 H new ATOM 0 HD12 ILE A 2 2.775 -4.511 -6.297 1.00 0.00 H new ATOM 0 HD13 ILE A 2 3.157 -4.416 -4.562 1.00 0.00 H new ATOM 33 N THR A 3 7.208 -6.221 -6.315 1.00 0.00 N ATOM 34 CA THR A 3 7.783 -7.208 -7.249 1.00 0.00 C ATOM 35 C THR A 3 8.813 -6.588 -8.183 1.00 0.00 C ATOM 36 O THR A 3 9.636 -7.306 -8.750 1.00 0.00 O ATOM 37 CB THR A 3 6.744 -7.976 -8.096 1.00 0.00 C ATOM 38 OG1 THR A 3 6.188 -7.143 -9.122 1.00 0.00 O ATOM 39 CG2 THR A 3 5.652 -8.539 -7.207 1.00 0.00 C ATOM 0 H THR A 3 7.808 -6.036 -5.511 1.00 0.00 H new ATOM 0 HA THR A 3 8.264 -7.930 -6.589 1.00 0.00 H new ATOM 0 HB THR A 3 7.254 -8.805 -8.587 1.00 0.00 H new ATOM 0 HG1 THR A 3 5.847 -6.316 -8.723 1.00 0.00 H new ATOM 0 HG21 THR A 3 4.927 -9.077 -7.818 1.00 0.00 H new ATOM 0 HG22 THR A 3 6.091 -9.221 -6.479 1.00 0.00 H new ATOM 0 HG23 THR A 3 5.152 -7.724 -6.685 1.00 0.00 H new ATOM 47 N ASP A 4 8.789 -5.267 -8.358 1.00 0.00 N ATOM 48 CA ASP A 4 9.770 -4.616 -9.219 1.00 0.00 C ATOM 49 C ASP A 4 11.174 -5.010 -8.787 1.00 0.00 C ATOM 50 O ASP A 4 11.828 -5.810 -9.456 1.00 0.00 O ATOM 51 CB ASP A 4 9.597 -3.100 -9.185 1.00 0.00 C ATOM 52 CG ASP A 4 8.425 -2.647 -10.032 1.00 0.00 C ATOM 53 OD1 ASP A 4 7.269 -2.847 -9.602 1.00 0.00 O ATOM 54 OD2 ASP A 4 8.663 -2.101 -11.129 1.00 0.00 O ATOM 0 H ASP A 4 8.114 -4.638 -7.923 1.00 0.00 H new ATOM 0 HA ASP A 4 9.613 -4.946 -10.246 1.00 0.00 H new ATOM 0 HB2 ASP A 4 9.448 -2.774 -8.155 1.00 0.00 H new ATOM 0 HB3 ASP A 4 10.509 -2.622 -9.542 1.00 0.00 H new ATOM 59 N ILE A 5 11.648 -4.458 -7.670 1.00 0.00 N ATOM 60 CA ILE A 5 12.964 -4.838 -7.185 1.00 0.00 C ATOM 61 C ILE A 5 12.875 -5.308 -5.738 1.00 0.00 C ATOM 62 O ILE A 5 13.084 -4.542 -4.799 1.00 0.00 O ATOM 63 CB ILE A 5 13.896 -3.617 -7.250 1.00 0.00 C ATOM 64 CG1 ILE A 5 13.808 -2.964 -8.620 1.00 0.00 C ATOM 65 CG2 ILE A 5 15.326 -3.990 -6.908 1.00 0.00 C ATOM 66 CD1 ILE A 5 12.701 -1.932 -8.734 1.00 0.00 C ATOM 0 H ILE A 5 11.155 -3.768 -7.103 1.00 0.00 H new ATOM 0 HA ILE A 5 13.351 -5.646 -7.805 1.00 0.00 H new ATOM 0 HB ILE A 5 13.567 -2.896 -6.502 1.00 0.00 H new ATOM 0 HG12 ILE A 5 14.762 -2.488 -8.848 1.00 0.00 H new ATOM 0 HG13 ILE A 5 13.651 -3.737 -9.372 1.00 0.00 H new ATOM 0 HG21 ILE A 5 15.957 -3.103 -6.964 1.00 0.00 H new ATOM 0 HG22 ILE A 5 15.364 -4.399 -5.898 1.00 0.00 H new ATOM 0 HG23 ILE A 5 15.686 -4.737 -7.616 1.00 0.00 H new ATOM 0 HD11 ILE A 5 12.700 -1.509 -9.739 1.00 0.00 H new ATOM 0 HD12 ILE A 5 11.739 -2.407 -8.539 1.00 0.00 H new ATOM 0 HD13 ILE A 5 12.868 -1.138 -8.006 1.00 0.00 H new ATOM 78 N LEU A 6 12.555 -6.590 -5.587 1.00 0.00 N ATOM 79 CA LEU A 6 12.464 -7.215 -4.273 1.00 0.00 C ATOM 80 C LEU A 6 12.214 -8.731 -4.356 1.00 0.00 C ATOM 81 O LEU A 6 11.934 -9.263 -5.432 1.00 0.00 O ATOM 82 CB LEU A 6 11.411 -6.511 -3.424 1.00 0.00 C ATOM 83 CG LEU A 6 10.055 -6.295 -4.075 1.00 0.00 C ATOM 84 CD1 LEU A 6 10.098 -5.238 -5.180 1.00 0.00 C ATOM 85 CD2 LEU A 6 9.539 -7.616 -4.578 1.00 0.00 C ATOM 0 H LEU A 6 12.353 -7.219 -6.364 1.00 0.00 H new ATOM 0 HA LEU A 6 13.432 -7.099 -3.785 1.00 0.00 H new ATOM 0 HB2 LEU A 6 11.264 -7.090 -2.512 1.00 0.00 H new ATOM 0 HB3 LEU A 6 11.806 -5.540 -3.125 1.00 0.00 H new ATOM 0 HG LEU A 6 9.367 -5.903 -3.326 1.00 0.00 H new ATOM 0 HD11 LEU A 6 9.104 -5.123 -5.612 1.00 0.00 H new ATOM 0 HD12 LEU A 6 10.424 -4.286 -4.761 1.00 0.00 H new ATOM 0 HD13 LEU A 6 10.797 -5.551 -5.956 1.00 0.00 H new ATOM 0 HD21 LEU A 6 8.566 -7.472 -5.047 1.00 0.00 H new ATOM 0 HD22 LEU A 6 10.237 -8.025 -5.309 1.00 0.00 H new ATOM 0 HD23 LEU A 6 9.440 -8.310 -3.743 1.00 0.00 H new ATOM 97 N SER A 7 12.317 -9.417 -3.210 1.00 0.00 N ATOM 98 CA SER A 7 12.101 -10.871 -3.152 1.00 0.00 C ATOM 99 C SER A 7 10.633 -11.231 -3.400 1.00 0.00 C ATOM 100 O SER A 7 9.747 -10.866 -2.627 1.00 0.00 O ATOM 101 CB SER A 7 12.529 -11.429 -1.792 1.00 0.00 C ATOM 102 OG SER A 7 13.779 -10.895 -1.389 1.00 0.00 O ATOM 0 H SER A 7 12.548 -8.991 -2.312 1.00 0.00 H new ATOM 0 HA SER A 7 12.710 -11.316 -3.939 1.00 0.00 H new ATOM 0 HB2 SER A 7 11.772 -11.193 -1.044 1.00 0.00 H new ATOM 0 HB3 SER A 7 12.595 -12.516 -1.846 1.00 0.00 H new ATOM 0 HG SER A 7 14.028 -11.267 -0.517 1.00 0.00 H new ATOM 108 N ALA A 8 10.401 -11.952 -4.493 1.00 0.00 N ATOM 109 CA ALA A 8 9.060 -12.375 -4.899 1.00 0.00 C ATOM 110 C ALA A 8 8.415 -13.356 -3.918 1.00 0.00 C ATOM 111 O ALA A 8 7.213 -13.300 -3.681 1.00 0.00 O ATOM 112 CB ALA A 8 9.123 -13.009 -6.275 1.00 0.00 C ATOM 0 H ALA A 8 11.139 -12.262 -5.126 1.00 0.00 H new ATOM 0 HA ALA A 8 8.437 -11.480 -4.912 1.00 0.00 H new ATOM 0 HB1 ALA A 8 8.124 -13.324 -6.577 1.00 0.00 H new ATOM 0 HB2 ALA A 8 9.507 -12.284 -6.992 1.00 0.00 H new ATOM 0 HB3 ALA A 8 9.783 -13.876 -6.246 1.00 0.00 H new ATOM 118 N GLU A 9 9.194 -14.294 -3.389 1.00 0.00 N ATOM 119 CA GLU A 9 8.653 -15.289 -2.469 1.00 0.00 C ATOM 120 C GLU A 9 8.175 -14.654 -1.170 1.00 0.00 C ATOM 121 O GLU A 9 7.031 -14.843 -0.756 1.00 0.00 O ATOM 122 CB GLU A 9 9.727 -16.328 -2.172 1.00 0.00 C ATOM 123 CG GLU A 9 10.118 -17.141 -3.386 1.00 0.00 C ATOM 124 CD GLU A 9 8.975 -17.982 -3.921 1.00 0.00 C ATOM 125 OE1 GLU A 9 8.742 -19.081 -3.377 1.00 0.00 O ATOM 126 OE2 GLU A 9 8.313 -17.541 -4.885 1.00 0.00 O ATOM 0 H GLU A 9 10.192 -14.386 -3.579 1.00 0.00 H new ATOM 0 HA GLU A 9 7.791 -15.761 -2.941 1.00 0.00 H new ATOM 0 HB2 GLU A 9 10.611 -15.826 -1.778 1.00 0.00 H new ATOM 0 HB3 GLU A 9 9.368 -17.000 -1.392 1.00 0.00 H new ATOM 0 HG2 GLU A 9 10.468 -16.470 -4.170 1.00 0.00 H new ATOM 0 HG3 GLU A 9 10.953 -17.792 -3.128 1.00 0.00 H new ATOM 133 N ASP A 10 9.060 -13.898 -0.535 1.00 0.00 N ATOM 134 CA ASP A 10 8.723 -13.210 0.704 1.00 0.00 C ATOM 135 C ASP A 10 7.488 -12.350 0.542 1.00 0.00 C ATOM 136 O ASP A 10 6.830 -12.011 1.526 1.00 0.00 O ATOM 137 CB ASP A 10 9.907 -12.369 1.177 1.00 0.00 C ATOM 138 CG ASP A 10 10.947 -13.195 1.906 1.00 0.00 C ATOM 139 OD1 ASP A 10 11.828 -13.770 1.232 1.00 0.00 O ATOM 140 OD2 ASP A 10 10.883 -13.268 3.151 1.00 0.00 O ATOM 0 H ASP A 10 10.016 -13.746 -0.857 1.00 0.00 H new ATOM 0 HA ASP A 10 8.501 -13.964 1.459 1.00 0.00 H new ATOM 0 HB2 ASP A 10 10.370 -11.883 0.318 1.00 0.00 H new ATOM 0 HB3 ASP A 10 9.548 -11.578 1.836 1.00 0.00 H new ATOM 145 N ILE A 11 7.163 -11.995 -0.688 1.00 0.00 N ATOM 146 CA ILE A 11 5.983 -11.196 -0.931 1.00 0.00 C ATOM 147 C ILE A 11 4.743 -11.985 -0.519 1.00 0.00 C ATOM 148 O ILE A 11 3.878 -11.473 0.186 1.00 0.00 O ATOM 149 CB ILE A 11 5.917 -10.761 -2.411 1.00 0.00 C ATOM 150 CG1 ILE A 11 6.675 -9.457 -2.590 1.00 0.00 C ATOM 151 CG2 ILE A 11 4.488 -10.627 -2.933 1.00 0.00 C ATOM 152 CD1 ILE A 11 6.914 -9.130 -4.032 1.00 0.00 C ATOM 0 H ILE A 11 7.694 -12.245 -1.522 1.00 0.00 H new ATOM 0 HA ILE A 11 6.028 -10.287 -0.331 1.00 0.00 H new ATOM 0 HB ILE A 11 6.384 -11.549 -3.002 1.00 0.00 H new ATOM 0 HG12 ILE A 11 6.114 -8.647 -2.124 1.00 0.00 H new ATOM 0 HG13 ILE A 11 7.631 -9.522 -2.071 1.00 0.00 H new ATOM 0 HG21 ILE A 11 4.510 -10.319 -3.978 1.00 0.00 H new ATOM 0 HG22 ILE A 11 3.978 -11.587 -2.848 1.00 0.00 H new ATOM 0 HG23 ILE A 11 3.955 -9.880 -2.346 1.00 0.00 H new ATOM 0 HD11 ILE A 11 7.459 -8.189 -4.106 1.00 0.00 H new ATOM 0 HD12 ILE A 11 7.499 -9.926 -4.493 1.00 0.00 H new ATOM 0 HD13 ILE A 11 5.958 -9.037 -4.547 1.00 0.00 H new ATOM 164 N ALA A 12 4.664 -13.233 -0.973 1.00 0.00 N ATOM 165 CA ALA A 12 3.533 -14.080 -0.632 1.00 0.00 C ATOM 166 C ALA A 12 3.355 -14.126 0.867 1.00 0.00 C ATOM 167 O ALA A 12 2.279 -13.840 1.367 1.00 0.00 O ATOM 168 CB ALA A 12 3.731 -15.481 -1.171 1.00 0.00 C ATOM 0 H ALA A 12 5.363 -13.673 -1.571 1.00 0.00 H new ATOM 0 HA ALA A 12 2.637 -13.658 -1.087 1.00 0.00 H new ATOM 0 HB1 ALA A 12 2.873 -16.098 -0.904 1.00 0.00 H new ATOM 0 HB2 ALA A 12 3.828 -15.443 -2.256 1.00 0.00 H new ATOM 0 HB3 ALA A 12 4.635 -15.912 -0.741 1.00 0.00 H new ATOM 174 N ALA A 13 4.424 -14.441 1.585 1.00 0.00 N ATOM 175 CA ALA A 13 4.344 -14.496 3.040 1.00 0.00 C ATOM 176 C ALA A 13 4.034 -13.110 3.573 1.00 0.00 C ATOM 177 O ALA A 13 3.161 -12.921 4.419 1.00 0.00 O ATOM 178 CB ALA A 13 5.642 -15.017 3.632 1.00 0.00 C ATOM 0 H ALA A 13 5.341 -14.659 1.195 1.00 0.00 H new ATOM 0 HA ALA A 13 3.548 -15.182 3.330 1.00 0.00 H new ATOM 0 HB1 ALA A 13 5.559 -15.049 4.718 1.00 0.00 H new ATOM 0 HB2 ALA A 13 5.838 -16.020 3.253 1.00 0.00 H new ATOM 0 HB3 ALA A 13 6.462 -14.356 3.350 1.00 0.00 H new ATOM 184 N ALA A 14 4.778 -12.150 3.049 1.00 0.00 N ATOM 185 CA ALA A 14 4.609 -10.755 3.414 1.00 0.00 C ATOM 186 C ALA A 14 3.136 -10.359 3.326 1.00 0.00 C ATOM 187 O ALA A 14 2.575 -9.793 4.263 1.00 0.00 O ATOM 188 CB ALA A 14 5.451 -9.883 2.495 1.00 0.00 C ATOM 0 H ALA A 14 5.513 -12.316 2.361 1.00 0.00 H new ATOM 0 HA ALA A 14 4.940 -10.610 4.442 1.00 0.00 H new ATOM 0 HB1 ALA A 14 5.324 -8.836 2.770 1.00 0.00 H new ATOM 0 HB2 ALA A 14 6.501 -10.159 2.593 1.00 0.00 H new ATOM 0 HB3 ALA A 14 5.133 -10.029 1.463 1.00 0.00 H new ATOM 194 N LEU A 15 2.522 -10.664 2.188 1.00 0.00 N ATOM 195 CA LEU A 15 1.116 -10.366 1.958 1.00 0.00 C ATOM 196 C LEU A 15 0.231 -11.309 2.768 1.00 0.00 C ATOM 197 O LEU A 15 -0.593 -10.877 3.575 1.00 0.00 O ATOM 198 CB LEU A 15 0.807 -10.505 0.461 1.00 0.00 C ATOM 199 CG LEU A 15 -0.564 -9.996 -0.013 1.00 0.00 C ATOM 200 CD1 LEU A 15 -0.727 -10.239 -1.504 1.00 0.00 C ATOM 201 CD2 LEU A 15 -1.699 -10.661 0.750 1.00 0.00 C ATOM 0 H LEU A 15 2.984 -11.123 1.403 1.00 0.00 H new ATOM 0 HA LEU A 15 0.909 -9.345 2.278 1.00 0.00 H new ATOM 0 HB2 LEU A 15 1.578 -9.973 -0.096 1.00 0.00 H new ATOM 0 HB3 LEU A 15 0.890 -11.558 0.193 1.00 0.00 H new ATOM 0 HG LEU A 15 -0.608 -8.925 0.185 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -1.702 -9.874 -1.828 1.00 0.00 H new ATOM 0 HD12 LEU A 15 0.057 -9.710 -2.047 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -0.653 -11.307 -1.709 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -2.654 -10.278 0.389 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -1.659 -11.739 0.595 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -1.599 -10.443 1.813 1.00 0.00 H new ATOM 213 N GLN A 16 0.418 -12.606 2.535 1.00 0.00 N ATOM 214 CA GLN A 16 -0.351 -13.670 3.178 1.00 0.00 C ATOM 215 C GLN A 16 -0.121 -13.792 4.679 1.00 0.00 C ATOM 216 O GLN A 16 -0.765 -14.618 5.326 1.00 0.00 O ATOM 217 CB GLN A 16 0.040 -15.004 2.557 1.00 0.00 C ATOM 218 CG GLN A 16 -0.462 -15.236 1.138 1.00 0.00 C ATOM 219 CD GLN A 16 -0.961 -14.001 0.414 1.00 0.00 C ATOM 220 OE1 GLN A 16 -0.204 -13.324 -0.276 1.00 0.00 O ATOM 221 NE2 GLN A 16 -2.248 -13.717 0.555 1.00 0.00 N ATOM 0 H GLN A 16 1.121 -12.954 1.882 1.00 0.00 H new ATOM 0 HA GLN A 16 -1.399 -13.414 3.024 1.00 0.00 H new ATOM 0 HB2 GLN A 16 1.127 -15.081 2.557 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -0.336 -15.806 3.193 1.00 0.00 H new ATOM 0 HG2 GLN A 16 0.345 -15.678 0.553 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -1.269 -15.968 1.172 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -2.840 -14.308 1.139 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -2.647 -12.907 0.080 1.00 0.00 H new ATOM 230 N GLU A 17 0.774 -13.001 5.257 1.00 0.00 N ATOM 231 CA GLU A 17 1.070 -13.186 6.668 1.00 0.00 C ATOM 232 C GLU A 17 -0.124 -12.902 7.557 1.00 0.00 C ATOM 233 O GLU A 17 -0.773 -13.822 8.054 1.00 0.00 O ATOM 234 CB GLU A 17 2.214 -12.269 7.084 1.00 0.00 C ATOM 235 CG GLU A 17 2.495 -12.252 8.579 1.00 0.00 C ATOM 236 CD GLU A 17 2.814 -13.629 9.130 1.00 0.00 C ATOM 237 OE1 GLU A 17 1.878 -14.445 9.268 1.00 0.00 O ATOM 238 OE2 GLU A 17 3.998 -13.890 9.427 1.00 0.00 O ATOM 0 H GLU A 17 1.289 -12.254 4.791 1.00 0.00 H new ATOM 0 HA GLU A 17 1.345 -14.233 6.795 1.00 0.00 H new ATOM 0 HB2 GLU A 17 3.119 -12.577 6.560 1.00 0.00 H new ATOM 0 HB3 GLU A 17 1.987 -11.254 6.758 1.00 0.00 H new ATOM 0 HG2 GLU A 17 3.331 -11.582 8.780 1.00 0.00 H new ATOM 0 HG3 GLU A 17 1.629 -11.847 9.103 1.00 0.00 H new ATOM 245 N CYS A 18 -0.411 -11.629 7.757 1.00 0.00 N ATOM 246 CA CYS A 18 -1.501 -11.194 8.604 1.00 0.00 C ATOM 247 C CYS A 18 -2.679 -10.601 7.831 1.00 0.00 C ATOM 248 O CYS A 18 -3.628 -10.128 8.450 1.00 0.00 O ATOM 249 CB CYS A 18 -0.945 -10.167 9.581 1.00 0.00 C ATOM 250 SG CYS A 18 -1.376 -10.475 11.310 1.00 0.00 S ATOM 0 H CYS A 18 0.111 -10.863 7.332 1.00 0.00 H new ATOM 0 HA CYS A 18 -1.900 -12.068 9.119 1.00 0.00 H new ATOM 0 HB2 CYS A 18 0.141 -10.145 9.488 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -1.309 -9.179 9.298 1.00 0.00 H new ATOM 0 HG CYS A 18 -0.855 -9.549 12.059 1.00 0.00 H new ATOM 256 N GLN A 19 -2.641 -10.624 6.495 1.00 0.00 N ATOM 257 CA GLN A 19 -3.682 -9.947 5.709 1.00 0.00 C ATOM 258 C GLN A 19 -5.084 -10.210 6.255 1.00 0.00 C ATOM 259 O GLN A 19 -5.412 -11.310 6.699 1.00 0.00 O ATOM 260 CB GLN A 19 -3.607 -10.376 4.251 1.00 0.00 C ATOM 261 CG GLN A 19 -4.675 -9.748 3.367 1.00 0.00 C ATOM 262 CD GLN A 19 -4.554 -10.176 1.915 1.00 0.00 C ATOM 263 OE1 GLN A 19 -4.150 -11.301 1.623 1.00 0.00 O ATOM 264 NE2 GLN A 19 -4.892 -9.276 0.995 1.00 0.00 N ATOM 0 H GLN A 19 -1.921 -11.091 5.944 1.00 0.00 H new ATOM 0 HA GLN A 19 -3.494 -8.876 5.786 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -2.624 -10.117 3.856 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -3.696 -11.461 4.197 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -5.661 -10.023 3.742 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -4.602 -8.662 3.430 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -5.222 -8.354 1.281 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -4.821 -9.508 0.004 1.00 0.00 H new ATOM 273 N ASP A 20 -5.899 -9.156 6.205 1.00 0.00 N ATOM 274 CA ASP A 20 -7.265 -9.187 6.722 1.00 0.00 C ATOM 275 C ASP A 20 -7.901 -7.794 6.638 1.00 0.00 C ATOM 276 O ASP A 20 -7.244 -6.835 6.233 1.00 0.00 O ATOM 277 CB ASP A 20 -7.249 -9.680 8.172 1.00 0.00 C ATOM 278 CG ASP A 20 -7.781 -11.094 8.312 1.00 0.00 C ATOM 279 OD1 ASP A 20 -9.017 -11.269 8.301 1.00 0.00 O ATOM 280 OD2 ASP A 20 -6.960 -12.026 8.434 1.00 0.00 O ATOM 0 H ASP A 20 -5.630 -8.257 5.805 1.00 0.00 H new ATOM 0 HA ASP A 20 -7.862 -9.870 6.117 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -6.229 -9.640 8.555 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -7.847 -9.008 8.787 1.00 0.00 H new ATOM 285 N PRO A 21 -9.187 -7.662 7.019 1.00 0.00 N ATOM 286 CA PRO A 21 -9.897 -6.382 6.998 1.00 0.00 C ATOM 287 C PRO A 21 -9.621 -5.537 8.242 1.00 0.00 C ATOM 288 O PRO A 21 -10.537 -5.191 8.988 1.00 0.00 O ATOM 289 CB PRO A 21 -11.351 -6.824 6.960 1.00 0.00 C ATOM 290 CG PRO A 21 -11.376 -8.075 7.753 1.00 0.00 C ATOM 291 CD PRO A 21 -10.067 -8.754 7.479 1.00 0.00 C ATOM 0 HA PRO A 21 -9.595 -5.747 6.165 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -12.008 -6.068 7.390 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -11.688 -6.995 5.938 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -11.492 -7.863 8.816 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -12.214 -8.708 7.461 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -9.672 -9.235 8.374 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -10.171 -9.529 6.720 1.00 0.00 H new ATOM 299 N ASP A 22 -8.350 -5.212 8.453 1.00 0.00 N ATOM 300 CA ASP A 22 -7.928 -4.407 9.598 1.00 0.00 C ATOM 301 C ASP A 22 -6.430 -4.142 9.513 1.00 0.00 C ATOM 302 O ASP A 22 -5.990 -2.998 9.396 1.00 0.00 O ATOM 303 CB ASP A 22 -8.259 -5.122 10.909 1.00 0.00 C ATOM 304 CG ASP A 22 -7.976 -4.263 12.126 1.00 0.00 C ATOM 305 OD1 ASP A 22 -6.786 -4.031 12.426 1.00 0.00 O ATOM 306 OD2 ASP A 22 -8.945 -3.822 12.781 1.00 0.00 O ATOM 0 H ASP A 22 -7.586 -5.496 7.840 1.00 0.00 H new ATOM 0 HA ASP A 22 -8.465 -3.459 9.578 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -9.311 -5.409 10.907 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -7.678 -6.042 10.974 1.00 0.00 H new ATOM 311 N THR A 23 -5.659 -5.219 9.571 1.00 0.00 N ATOM 312 CA THR A 23 -4.209 -5.100 9.457 1.00 0.00 C ATOM 313 C THR A 23 -3.849 -4.819 8.008 1.00 0.00 C ATOM 314 O THR A 23 -3.134 -3.859 7.721 1.00 0.00 O ATOM 315 CB THR A 23 -3.472 -6.365 9.943 1.00 0.00 C ATOM 316 OG1 THR A 23 -2.070 -6.246 9.674 1.00 0.00 O ATOM 317 CG2 THR A 23 -4.011 -7.619 9.276 1.00 0.00 C ATOM 0 H THR A 23 -6.004 -6.171 9.694 1.00 0.00 H new ATOM 0 HA THR A 23 -3.890 -4.279 10.099 1.00 0.00 H new ATOM 0 HB THR A 23 -3.639 -6.454 11.017 1.00 0.00 H new ATOM 0 HG1 THR A 23 -1.607 -7.052 9.986 1.00 0.00 H new ATOM 0 HG21 THR A 23 -3.467 -8.489 9.644 1.00 0.00 H new ATOM 0 HG22 THR A 23 -5.070 -7.728 9.509 1.00 0.00 H new ATOM 0 HG23 THR A 23 -3.883 -7.541 8.196 1.00 0.00 H new ATOM 325 N PHE A 24 -4.335 -5.654 7.092 1.00 0.00 N ATOM 326 CA PHE A 24 -4.132 -5.436 5.669 1.00 0.00 C ATOM 327 C PHE A 24 -2.815 -5.992 5.155 1.00 0.00 C ATOM 328 O PHE A 24 -1.864 -6.226 5.901 1.00 0.00 O ATOM 329 CB PHE A 24 -4.273 -3.959 5.316 1.00 0.00 C ATOM 330 CG PHE A 24 -4.890 -3.674 3.970 1.00 0.00 C ATOM 331 CD1 PHE A 24 -5.635 -4.628 3.276 1.00 0.00 C ATOM 332 CD2 PHE A 24 -4.725 -2.426 3.397 1.00 0.00 C ATOM 333 CE1 PHE A 24 -6.187 -4.333 2.047 1.00 0.00 C ATOM 334 CE2 PHE A 24 -5.280 -2.134 2.169 1.00 0.00 C ATOM 335 CZ PHE A 24 -6.009 -3.086 1.498 1.00 0.00 C ATOM 0 H PHE A 24 -4.874 -6.491 7.316 1.00 0.00 H new ATOM 0 HA PHE A 24 -4.918 -5.996 5.163 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -4.877 -3.475 6.084 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -3.286 -3.499 5.349 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -5.781 -5.608 3.706 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -4.155 -1.671 3.918 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -6.758 -5.081 1.517 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -5.141 -1.155 1.734 1.00 0.00 H new ATOM 0 HZ PHE A 24 -6.443 -2.854 0.537 1.00 0.00 H new ATOM 345 N GLU A 25 -2.810 -6.189 3.853 1.00 0.00 N ATOM 346 CA GLU A 25 -1.680 -6.743 3.147 1.00 0.00 C ATOM 347 C GLU A 25 -0.662 -5.737 2.578 1.00 0.00 C ATOM 348 O GLU A 25 0.513 -6.071 2.477 1.00 0.00 O ATOM 349 CB GLU A 25 -2.163 -7.654 2.055 1.00 0.00 C ATOM 350 CG GLU A 25 -2.664 -6.933 0.833 1.00 0.00 C ATOM 351 CD GLU A 25 -4.022 -6.289 1.025 1.00 0.00 C ATOM 352 OE1 GLU A 25 -4.845 -6.851 1.779 1.00 0.00 O ATOM 353 OE2 GLU A 25 -4.266 -5.226 0.417 1.00 0.00 O ATOM 0 H GLU A 25 -3.602 -5.965 3.250 1.00 0.00 H new ATOM 0 HA GLU A 25 -1.122 -7.285 3.911 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -1.350 -8.319 1.764 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -2.963 -8.282 2.447 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -1.943 -6.165 0.553 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -2.719 -7.637 0.003 1.00 0.00 H new ATOM 360 N PRO A 26 -1.057 -4.493 2.231 1.00 0.00 N ATOM 361 CA PRO A 26 -0.139 -3.571 1.573 1.00 0.00 C ATOM 362 C PRO A 26 1.207 -3.506 2.251 1.00 0.00 C ATOM 363 O PRO A 26 2.224 -3.955 1.726 1.00 0.00 O ATOM 364 CB PRO A 26 -0.798 -2.201 1.662 1.00 0.00 C ATOM 365 CG PRO A 26 -2.125 -2.388 2.269 1.00 0.00 C ATOM 366 CD PRO A 26 -2.326 -3.851 2.577 1.00 0.00 C ATOM 0 HA PRO A 26 0.042 -3.902 0.550 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -0.193 -1.523 2.264 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -0.889 -1.754 0.672 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -2.208 -1.797 3.181 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -2.902 -2.037 1.590 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -2.570 -4.002 3.628 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -3.149 -4.267 1.996 1.00 0.00 H new ATOM 374 N GLN A 27 1.180 -2.931 3.429 1.00 0.00 N ATOM 375 CA GLN A 27 2.397 -2.714 4.207 1.00 0.00 C ATOM 376 C GLN A 27 3.140 -4.000 4.545 1.00 0.00 C ATOM 377 O GLN A 27 4.366 -4.052 4.454 1.00 0.00 O ATOM 378 CB GLN A 27 2.089 -1.933 5.482 1.00 0.00 C ATOM 379 CG GLN A 27 1.475 -0.572 5.216 1.00 0.00 C ATOM 380 CD GLN A 27 1.189 0.202 6.487 1.00 0.00 C ATOM 381 OE1 GLN A 27 0.005 -0.005 7.047 1.00 0.00 O flip ATOM 382 NE2 GLN A 27 2.023 0.973 6.960 1.00 0.00 N flip ATOM 0 H GLN A 27 0.328 -2.600 3.881 1.00 0.00 H new ATOM 0 HA GLN A 27 3.061 -2.130 3.570 1.00 0.00 H new ATOM 0 HB2 GLN A 27 1.408 -2.516 6.102 1.00 0.00 H new ATOM 0 HB3 GLN A 27 3.009 -1.804 6.052 1.00 0.00 H new ATOM 0 HG2 GLN A 27 2.149 0.009 4.586 1.00 0.00 H new ATOM 0 HG3 GLN A 27 0.548 -0.700 4.657 1.00 0.00 H new ATOM 0 HE21 GLN A 27 2.921 1.101 6.494 1.00 0.00 H new ATOM 0 HE22 GLN A 27 1.816 1.484 7.818 1.00 0.00 H new ATOM 391 N LYS A 28 2.413 -5.034 4.933 1.00 0.00 N ATOM 392 CA LYS A 28 3.033 -6.284 5.282 1.00 0.00 C ATOM 393 C LYS A 28 3.683 -6.882 4.047 1.00 0.00 C ATOM 394 O LYS A 28 4.810 -7.368 4.092 1.00 0.00 O ATOM 395 CB LYS A 28 1.976 -7.205 5.859 1.00 0.00 C ATOM 396 CG LYS A 28 1.620 -6.876 7.294 1.00 0.00 C ATOM 397 CD LYS A 28 2.434 -7.703 8.275 1.00 0.00 C ATOM 398 CE LYS A 28 3.924 -7.454 8.110 1.00 0.00 C ATOM 399 NZ LYS A 28 4.731 -8.248 9.077 1.00 0.00 N ATOM 0 H LYS A 28 1.396 -5.025 5.012 1.00 0.00 H new ATOM 0 HA LYS A 28 3.810 -6.137 6.032 1.00 0.00 H new ATOM 0 HB2 LYS A 28 1.077 -7.146 5.245 1.00 0.00 H new ATOM 0 HB3 LYS A 28 2.331 -8.234 5.806 1.00 0.00 H new ATOM 0 HG2 LYS A 28 1.794 -5.816 7.479 1.00 0.00 H new ATOM 0 HG3 LYS A 28 0.558 -7.058 7.457 1.00 0.00 H new ATOM 0 HD2 LYS A 28 2.134 -7.460 9.294 1.00 0.00 H new ATOM 0 HD3 LYS A 28 2.222 -8.761 8.124 1.00 0.00 H new ATOM 0 HE2 LYS A 28 4.224 -7.707 7.093 1.00 0.00 H new ATOM 0 HE3 LYS A 28 4.132 -6.393 8.249 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 5.124 -7.615 9.803 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 4.126 -8.961 9.531 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 5.508 -8.723 8.574 1.00 0.00 H new ATOM 413 N PHE A 29 2.952 -6.816 2.944 1.00 0.00 N ATOM 414 CA PHE A 29 3.422 -7.294 1.651 1.00 0.00 C ATOM 415 C PHE A 29 4.790 -6.691 1.354 1.00 0.00 C ATOM 416 O PHE A 29 5.751 -7.396 1.046 1.00 0.00 O ATOM 417 CB PHE A 29 2.393 -6.850 0.590 1.00 0.00 C ATOM 418 CG PHE A 29 2.569 -7.375 -0.812 1.00 0.00 C ATOM 419 CD1 PHE A 29 3.779 -7.303 -1.481 1.00 0.00 C ATOM 420 CD2 PHE A 29 1.483 -7.932 -1.470 1.00 0.00 C ATOM 421 CE1 PHE A 29 3.894 -7.781 -2.779 1.00 0.00 C ATOM 422 CE2 PHE A 29 1.594 -8.406 -2.759 1.00 0.00 C ATOM 423 CZ PHE A 29 2.801 -8.331 -3.415 1.00 0.00 C ATOM 0 H PHE A 29 2.010 -6.427 2.920 1.00 0.00 H new ATOM 0 HA PHE A 29 3.521 -8.380 1.645 1.00 0.00 H new ATOM 0 HB2 PHE A 29 1.403 -7.145 0.938 1.00 0.00 H new ATOM 0 HB3 PHE A 29 2.404 -5.761 0.545 1.00 0.00 H new ATOM 0 HD1 PHE A 29 4.639 -6.872 -0.990 1.00 0.00 H new ATOM 0 HD2 PHE A 29 0.532 -7.996 -0.962 1.00 0.00 H new ATOM 0 HE1 PHE A 29 4.842 -7.722 -3.292 1.00 0.00 H new ATOM 0 HE2 PHE A 29 0.735 -8.836 -3.253 1.00 0.00 H new ATOM 0 HZ PHE A 29 2.892 -8.702 -4.425 1.00 0.00 H new ATOM 433 N PHE A 30 4.850 -5.374 1.473 1.00 0.00 N ATOM 434 CA PHE A 30 6.053 -4.606 1.190 1.00 0.00 C ATOM 435 C PHE A 30 7.154 -4.793 2.229 1.00 0.00 C ATOM 436 O PHE A 30 8.260 -5.228 1.916 1.00 0.00 O ATOM 437 CB PHE A 30 5.705 -3.124 1.128 1.00 0.00 C ATOM 438 CG PHE A 30 4.373 -2.829 0.528 1.00 0.00 C ATOM 439 CD1 PHE A 30 3.858 -3.605 -0.495 1.00 0.00 C ATOM 440 CD2 PHE A 30 3.615 -1.781 1.020 1.00 0.00 C ATOM 441 CE1 PHE A 30 2.617 -3.341 -1.007 1.00 0.00 C ATOM 442 CE2 PHE A 30 2.372 -1.510 0.499 1.00 0.00 C ATOM 443 CZ PHE A 30 1.875 -2.297 -0.515 1.00 0.00 C ATOM 0 H PHE A 30 4.059 -4.803 1.771 1.00 0.00 H new ATOM 0 HA PHE A 30 6.433 -4.974 0.237 1.00 0.00 H new ATOM 0 HB2 PHE A 30 5.734 -2.714 2.137 1.00 0.00 H new ATOM 0 HB3 PHE A 30 6.472 -2.607 0.552 1.00 0.00 H new ATOM 0 HD1 PHE A 30 4.439 -4.424 -0.892 1.00 0.00 H new ATOM 0 HD2 PHE A 30 4.004 -1.170 1.821 1.00 0.00 H new ATOM 0 HE1 PHE A 30 2.220 -3.956 -1.801 1.00 0.00 H new ATOM 0 HE2 PHE A 30 1.790 -0.685 0.883 1.00 0.00 H new ATOM 0 HZ PHE A 30 0.897 -2.092 -0.925 1.00 0.00 H new ATOM 453 N GLN A 31 6.813 -4.485 3.474 1.00 0.00 N ATOM 454 CA GLN A 31 7.763 -4.509 4.582 1.00 0.00 C ATOM 455 C GLN A 31 8.465 -5.841 4.760 1.00 0.00 C ATOM 456 O GLN A 31 9.678 -5.940 4.578 1.00 0.00 O ATOM 457 CB GLN A 31 7.028 -4.147 5.872 1.00 0.00 C ATOM 458 CG GLN A 31 7.942 -3.768 7.023 1.00 0.00 C ATOM 459 CD GLN A 31 8.247 -2.280 7.077 1.00 0.00 C ATOM 460 OE1 GLN A 31 8.249 -1.618 5.921 1.00 0.00 O flip ATOM 461 NE2 GLN A 31 8.478 -1.726 8.153 1.00 0.00 N flip ATOM 0 H GLN A 31 5.869 -4.211 3.746 1.00 0.00 H new ATOM 0 HA GLN A 31 8.540 -3.782 4.347 1.00 0.00 H new ATOM 0 HB2 GLN A 31 6.352 -3.316 5.671 1.00 0.00 H new ATOM 0 HB3 GLN A 31 6.412 -4.993 6.176 1.00 0.00 H new ATOM 0 HG2 GLN A 31 7.479 -4.072 7.962 1.00 0.00 H new ATOM 0 HG3 GLN A 31 8.877 -4.321 6.934 1.00 0.00 H new ATOM 0 HE21 GLN A 31 8.467 -2.267 9.018 1.00 0.00 H new ATOM 0 HE22 GLN A 31 8.680 -0.726 8.179 1.00 0.00 H new ATOM 470 N THR A 32 7.714 -6.855 5.118 1.00 0.00 N ATOM 471 CA THR A 32 8.288 -8.171 5.356 1.00 0.00 C ATOM 472 C THR A 32 9.253 -8.583 4.244 1.00 0.00 C ATOM 473 O THR A 32 10.418 -8.888 4.499 1.00 0.00 O ATOM 474 CB THR A 32 7.191 -9.243 5.495 1.00 0.00 C ATOM 475 OG1 THR A 32 6.305 -8.899 6.568 1.00 0.00 O ATOM 476 CG2 THR A 32 7.799 -10.613 5.756 1.00 0.00 C ATOM 0 H THR A 32 6.704 -6.801 5.253 1.00 0.00 H new ATOM 0 HA THR A 32 8.843 -8.099 6.291 1.00 0.00 H new ATOM 0 HB THR A 32 6.634 -9.283 4.559 1.00 0.00 H new ATOM 0 HG1 THR A 32 5.609 -9.584 6.650 1.00 0.00 H new ATOM 0 HG21 THR A 32 7.003 -11.352 5.850 1.00 0.00 H new ATOM 0 HG22 THR A 32 8.451 -10.886 4.926 1.00 0.00 H new ATOM 0 HG23 THR A 32 8.379 -10.584 6.679 1.00 0.00 H new ATOM 484 N SER A 33 8.756 -8.586 3.017 1.00 0.00 N ATOM 485 CA SER A 33 9.549 -8.998 1.864 1.00 0.00 C ATOM 486 C SER A 33 10.500 -7.930 1.335 1.00 0.00 C ATOM 487 O SER A 33 11.718 -8.107 1.344 1.00 0.00 O ATOM 488 CB SER A 33 8.628 -9.461 0.735 1.00 0.00 C ATOM 489 OG SER A 33 9.359 -10.117 -0.285 1.00 0.00 O ATOM 0 H SER A 33 7.802 -8.306 2.791 1.00 0.00 H new ATOM 0 HA SER A 33 10.177 -9.815 2.219 1.00 0.00 H new ATOM 0 HB2 SER A 33 7.870 -10.135 1.134 1.00 0.00 H new ATOM 0 HB3 SER A 33 8.103 -8.603 0.315 1.00 0.00 H new ATOM 0 HG SER A 33 9.797 -9.450 -0.854 1.00 0.00 H new ATOM 495 N GLY A 34 9.933 -6.824 0.877 1.00 0.00 N ATOM 496 CA GLY A 34 10.758 -5.814 0.236 1.00 0.00 C ATOM 497 C GLY A 34 11.181 -4.603 1.055 1.00 0.00 C ATOM 498 O GLY A 34 12.355 -4.473 1.399 1.00 0.00 O ATOM 0 H GLY A 34 8.938 -6.607 0.934 1.00 0.00 H new ATOM 0 HA2 GLY A 34 11.662 -6.304 -0.125 1.00 0.00 H new ATOM 0 HA3 GLY A 34 10.220 -5.452 -0.640 1.00 0.00 H new ATOM 502 N LEU A 35 10.223 -3.759 1.434 1.00 0.00 N ATOM 503 CA LEU A 35 10.521 -2.493 2.111 1.00 0.00 C ATOM 504 C LEU A 35 11.670 -2.600 3.112 1.00 0.00 C ATOM 505 O LEU A 35 12.525 -1.717 3.179 1.00 0.00 O ATOM 506 CB LEU A 35 9.262 -1.976 2.805 1.00 0.00 C ATOM 507 CG LEU A 35 8.721 -0.650 2.265 1.00 0.00 C ATOM 508 CD1 LEU A 35 8.626 -0.685 0.747 1.00 0.00 C ATOM 509 CD2 LEU A 35 7.362 -0.347 2.876 1.00 0.00 C ATOM 0 H LEU A 35 9.228 -3.928 1.284 1.00 0.00 H new ATOM 0 HA LEU A 35 10.846 -1.789 1.345 1.00 0.00 H new ATOM 0 HB2 LEU A 35 8.481 -2.732 2.717 1.00 0.00 H new ATOM 0 HB3 LEU A 35 9.474 -1.858 3.868 1.00 0.00 H new ATOM 0 HG LEU A 35 9.414 0.143 2.545 1.00 0.00 H new ATOM 0 HD11 LEU A 35 8.239 0.267 0.385 1.00 0.00 H new ATOM 0 HD12 LEU A 35 9.616 -0.859 0.324 1.00 0.00 H new ATOM 0 HD13 LEU A 35 7.955 -1.488 0.443 1.00 0.00 H new ATOM 0 HD21 LEU A 35 6.989 0.599 2.483 1.00 0.00 H new ATOM 0 HD22 LEU A 35 6.664 -1.145 2.624 1.00 0.00 H new ATOM 0 HD23 LEU A 35 7.458 -0.277 3.960 1.00 0.00 H new ATOM 521 N SER A 36 11.675 -3.674 3.887 1.00 0.00 N ATOM 522 CA SER A 36 12.717 -3.912 4.888 1.00 0.00 C ATOM 523 C SER A 36 14.108 -3.420 4.453 1.00 0.00 C ATOM 524 O SER A 36 14.901 -3.002 5.298 1.00 0.00 O ATOM 525 CB SER A 36 12.785 -5.402 5.222 1.00 0.00 C ATOM 526 OG SER A 36 13.144 -6.165 4.084 1.00 0.00 O ATOM 0 H SER A 36 10.964 -4.404 3.845 1.00 0.00 H new ATOM 0 HA SER A 36 12.438 -3.333 5.768 1.00 0.00 H new ATOM 0 HB2 SER A 36 13.512 -5.566 6.018 1.00 0.00 H new ATOM 0 HB3 SER A 36 11.819 -5.738 5.598 1.00 0.00 H new ATOM 0 HG SER A 36 13.182 -7.114 4.325 1.00 0.00 H new ATOM 532 N LYS A 37 14.415 -3.463 3.154 1.00 0.00 N ATOM 533 CA LYS A 37 15.740 -3.020 2.693 1.00 0.00 C ATOM 534 C LYS A 37 15.738 -2.313 1.327 1.00 0.00 C ATOM 535 O LYS A 37 16.606 -1.479 1.067 1.00 0.00 O ATOM 536 CB LYS A 37 16.687 -4.220 2.633 1.00 0.00 C ATOM 537 CG LYS A 37 16.939 -4.867 3.980 1.00 0.00 C ATOM 538 CD LYS A 37 17.685 -3.931 4.917 1.00 0.00 C ATOM 539 CE LYS A 37 17.988 -4.602 6.247 1.00 0.00 C ATOM 540 NZ LYS A 37 18.867 -5.793 6.081 1.00 0.00 N ATOM 0 H LYS A 37 13.787 -3.789 2.419 1.00 0.00 H new ATOM 0 HA LYS A 37 16.075 -2.279 3.419 1.00 0.00 H new ATOM 0 HB2 LYS A 37 16.272 -4.965 1.954 1.00 0.00 H new ATOM 0 HB3 LYS A 37 17.639 -3.899 2.210 1.00 0.00 H new ATOM 0 HG2 LYS A 37 15.989 -5.153 4.431 1.00 0.00 H new ATOM 0 HG3 LYS A 37 17.515 -5.782 3.843 1.00 0.00 H new ATOM 0 HD2 LYS A 37 18.616 -3.611 4.449 1.00 0.00 H new ATOM 0 HD3 LYS A 37 17.090 -3.034 5.088 1.00 0.00 H new ATOM 0 HE2 LYS A 37 18.469 -3.886 6.914 1.00 0.00 H new ATOM 0 HE3 LYS A 37 17.055 -4.903 6.723 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 19.255 -6.069 7.005 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 18.313 -6.581 5.688 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 19.647 -5.561 5.433 1.00 0.00 H new ATOM 554 N MET A 38 14.782 -2.633 0.461 1.00 0.00 N ATOM 555 CA MET A 38 14.734 -2.036 -0.875 1.00 0.00 C ATOM 556 C MET A 38 14.957 -0.526 -0.854 1.00 0.00 C ATOM 557 O MET A 38 14.568 0.164 0.087 1.00 0.00 O ATOM 558 CB MET A 38 13.402 -2.349 -1.539 1.00 0.00 C ATOM 559 CG MET A 38 13.086 -3.827 -1.556 1.00 0.00 C ATOM 560 SD MET A 38 14.405 -4.814 -2.290 1.00 0.00 S ATOM 561 CE MET A 38 14.105 -6.406 -1.526 1.00 0.00 C ATOM 0 H MET A 38 14.033 -3.298 0.655 1.00 0.00 H new ATOM 0 HA MET A 38 15.550 -2.476 -1.448 1.00 0.00 H new ATOM 0 HB2 MET A 38 12.607 -1.819 -1.015 1.00 0.00 H new ATOM 0 HB3 MET A 38 13.415 -1.974 -2.562 1.00 0.00 H new ATOM 0 HG2 MET A 38 12.908 -4.168 -0.536 1.00 0.00 H new ATOM 0 HG3 MET A 38 12.163 -3.990 -2.113 1.00 0.00 H new ATOM 0 HE1 MET A 38 14.654 -7.178 -2.065 1.00 0.00 H new ATOM 0 HE2 MET A 38 14.439 -6.380 -0.489 1.00 0.00 H new ATOM 0 HE3 MET A 38 13.039 -6.630 -1.558 1.00 0.00 H new ATOM 571 N SER A 39 15.591 -0.029 -1.917 1.00 0.00 N ATOM 572 CA SER A 39 15.882 1.392 -2.064 1.00 0.00 C ATOM 573 C SER A 39 14.614 2.192 -2.345 1.00 0.00 C ATOM 574 O SER A 39 13.551 1.619 -2.558 1.00 0.00 O ATOM 575 CB SER A 39 16.880 1.605 -3.201 1.00 0.00 C ATOM 576 OG SER A 39 18.070 0.867 -2.982 1.00 0.00 O ATOM 0 H SER A 39 15.915 -0.601 -2.697 1.00 0.00 H new ATOM 0 HA SER A 39 16.310 1.744 -1.126 1.00 0.00 H new ATOM 0 HB2 SER A 39 16.429 1.302 -4.146 1.00 0.00 H new ATOM 0 HB3 SER A 39 17.117 2.665 -3.287 1.00 0.00 H new ATOM 0 HG SER A 39 18.691 1.020 -3.725 1.00 0.00 H new ATOM 582 N ALA A 40 14.737 3.517 -2.330 1.00 0.00 N ATOM 583 CA ALA A 40 13.605 4.407 -2.591 1.00 0.00 C ATOM 584 C ALA A 40 13.054 4.246 -4.014 1.00 0.00 C ATOM 585 O ALA A 40 11.841 4.193 -4.220 1.00 0.00 O ATOM 586 CB ALA A 40 13.997 5.857 -2.339 1.00 0.00 C ATOM 0 H ALA A 40 15.614 4.002 -2.139 1.00 0.00 H new ATOM 0 HA ALA A 40 12.810 4.124 -1.901 1.00 0.00 H new ATOM 0 HB1 ALA A 40 13.143 6.505 -2.538 1.00 0.00 H new ATOM 0 HB2 ALA A 40 14.308 5.975 -1.301 1.00 0.00 H new ATOM 0 HB3 ALA A 40 14.821 6.131 -2.998 1.00 0.00 H new ATOM 592 N SER A 41 13.958 4.176 -4.996 1.00 0.00 N ATOM 593 CA SER A 41 13.578 4.070 -6.405 1.00 0.00 C ATOM 594 C SER A 41 12.508 3.017 -6.651 1.00 0.00 C ATOM 595 O SER A 41 11.424 3.327 -7.144 1.00 0.00 O ATOM 596 CB SER A 41 14.810 3.748 -7.251 1.00 0.00 C ATOM 597 OG SER A 41 15.470 2.590 -6.774 1.00 0.00 O ATOM 0 H SER A 41 14.965 4.191 -4.837 1.00 0.00 H new ATOM 0 HA SER A 41 13.158 5.034 -6.693 1.00 0.00 H new ATOM 0 HB2 SER A 41 14.513 3.599 -8.289 1.00 0.00 H new ATOM 0 HB3 SER A 41 15.497 4.594 -7.235 1.00 0.00 H new ATOM 0 HG SER A 41 16.253 2.406 -7.334 1.00 0.00 H new ATOM 603 N GLN A 42 12.809 1.774 -6.310 1.00 0.00 N ATOM 604 CA GLN A 42 11.854 0.689 -6.522 1.00 0.00 C ATOM 605 C GLN A 42 10.522 1.024 -5.868 1.00 0.00 C ATOM 606 O GLN A 42 9.466 0.607 -6.340 1.00 0.00 O ATOM 607 CB GLN A 42 12.407 -0.631 -5.980 1.00 0.00 C ATOM 608 CG GLN A 42 12.680 -0.594 -4.499 1.00 0.00 C ATOM 609 CD GLN A 42 11.489 -1.061 -3.687 1.00 0.00 C ATOM 610 OE1 GLN A 42 10.664 -0.259 -3.252 1.00 0.00 O ATOM 611 NE2 GLN A 42 11.387 -2.370 -3.496 1.00 0.00 N ATOM 0 H GLN A 42 13.694 1.490 -5.890 1.00 0.00 H new ATOM 0 HA GLN A 42 11.693 0.573 -7.594 1.00 0.00 H new ATOM 0 HB2 GLN A 42 11.697 -1.430 -6.193 1.00 0.00 H new ATOM 0 HB3 GLN A 42 13.329 -0.875 -6.507 1.00 0.00 H new ATOM 0 HG2 GLN A 42 13.541 -1.224 -4.274 1.00 0.00 H new ATOM 0 HG3 GLN A 42 12.943 0.422 -4.205 1.00 0.00 H new ATOM 0 HE21 GLN A 42 12.096 -2.998 -3.876 1.00 0.00 H new ATOM 0 HE22 GLN A 42 10.600 -2.749 -2.969 1.00 0.00 H new ATOM 620 N VAL A 43 10.583 1.823 -4.809 1.00 0.00 N ATOM 621 CA VAL A 43 9.374 2.211 -4.090 1.00 0.00 C ATOM 622 C VAL A 43 8.422 2.959 -5.013 1.00 0.00 C ATOM 623 O VAL A 43 7.204 2.865 -4.871 1.00 0.00 O ATOM 624 CB VAL A 43 9.660 3.087 -2.864 1.00 0.00 C ATOM 625 CG1 VAL A 43 8.422 3.190 -1.989 1.00 0.00 C ATOM 626 CG2 VAL A 43 10.835 2.542 -2.079 1.00 0.00 C ATOM 0 H VAL A 43 11.447 2.212 -4.432 1.00 0.00 H new ATOM 0 HA VAL A 43 8.920 1.283 -3.741 1.00 0.00 H new ATOM 0 HB VAL A 43 9.921 4.088 -3.206 1.00 0.00 H new ATOM 0 HG11 VAL A 43 8.640 3.815 -1.123 1.00 0.00 H new ATOM 0 HG12 VAL A 43 7.608 3.634 -2.561 1.00 0.00 H new ATOM 0 HG13 VAL A 43 8.129 2.195 -1.654 1.00 0.00 H new ATOM 0 HG21 VAL A 43 11.021 3.178 -1.214 1.00 0.00 H new ATOM 0 HG22 VAL A 43 10.610 1.530 -1.744 1.00 0.00 H new ATOM 0 HG23 VAL A 43 11.721 2.526 -2.714 1.00 0.00 H new ATOM 636 N LYS A 44 8.980 3.714 -5.958 1.00 0.00 N ATOM 637 CA LYS A 44 8.158 4.446 -6.918 1.00 0.00 C ATOM 638 C LYS A 44 7.177 3.484 -7.560 1.00 0.00 C ATOM 639 O LYS A 44 6.017 3.817 -7.804 1.00 0.00 O ATOM 640 CB LYS A 44 9.026 5.089 -7.993 1.00 0.00 C ATOM 641 CG LYS A 44 9.598 6.430 -7.581 1.00 0.00 C ATOM 642 CD LYS A 44 11.105 6.380 -7.439 1.00 0.00 C ATOM 643 CE LYS A 44 11.764 6.058 -8.763 1.00 0.00 C ATOM 644 NZ LYS A 44 11.709 7.208 -9.707 1.00 0.00 N ATOM 0 H LYS A 44 9.986 3.834 -6.079 1.00 0.00 H new ATOM 0 HA LYS A 44 7.620 5.237 -6.396 1.00 0.00 H new ATOM 0 HB2 LYS A 44 9.845 4.414 -8.241 1.00 0.00 H new ATOM 0 HB3 LYS A 44 8.434 5.218 -8.899 1.00 0.00 H new ATOM 0 HG2 LYS A 44 9.328 7.183 -8.321 1.00 0.00 H new ATOM 0 HG3 LYS A 44 9.154 6.739 -6.635 1.00 0.00 H new ATOM 0 HD2 LYS A 44 11.471 7.338 -7.070 1.00 0.00 H new ATOM 0 HD3 LYS A 44 11.379 5.628 -6.700 1.00 0.00 H new ATOM 0 HE2 LYS A 44 12.804 5.778 -8.592 1.00 0.00 H new ATOM 0 HE3 LYS A 44 11.272 5.196 -9.213 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 12.258 6.983 -10.561 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 10.720 7.394 -9.970 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 12.110 8.052 -9.250 1.00 0.00 H new ATOM 658 N ASP A 45 7.668 2.281 -7.828 1.00 0.00 N ATOM 659 CA ASP A 45 6.861 1.239 -8.401 1.00 0.00 C ATOM 660 C ASP A 45 5.896 0.718 -7.351 1.00 0.00 C ATOM 661 O ASP A 45 4.736 0.429 -7.645 1.00 0.00 O ATOM 662 CB ASP A 45 7.757 0.126 -8.909 1.00 0.00 C ATOM 663 CG ASP A 45 8.312 0.410 -10.292 1.00 0.00 C ATOM 664 OD1 ASP A 45 7.625 0.089 -11.284 1.00 0.00 O ATOM 665 OD2 ASP A 45 9.434 0.952 -10.381 1.00 0.00 O ATOM 0 H ASP A 45 8.636 2.011 -7.651 1.00 0.00 H new ATOM 0 HA ASP A 45 6.287 1.630 -9.241 1.00 0.00 H new ATOM 0 HB2 ASP A 45 8.583 -0.017 -8.212 1.00 0.00 H new ATOM 0 HB3 ASP A 45 7.194 -0.807 -8.932 1.00 0.00 H new ATOM 670 N ILE A 46 6.387 0.595 -6.114 1.00 0.00 N ATOM 671 CA ILE A 46 5.564 0.142 -5.011 1.00 0.00 C ATOM 672 C ILE A 46 4.304 0.994 -4.939 1.00 0.00 C ATOM 673 O ILE A 46 3.188 0.480 -4.971 1.00 0.00 O ATOM 674 CB ILE A 46 6.362 0.196 -3.684 1.00 0.00 C ATOM 675 CG1 ILE A 46 7.222 -1.054 -3.545 1.00 0.00 C ATOM 676 CG2 ILE A 46 5.464 0.352 -2.463 1.00 0.00 C ATOM 677 CD1 ILE A 46 8.168 -1.300 -4.696 1.00 0.00 C ATOM 0 H ILE A 46 7.352 0.805 -5.861 1.00 0.00 H new ATOM 0 HA ILE A 46 5.272 -0.895 -5.174 1.00 0.00 H new ATOM 0 HB ILE A 46 6.997 1.081 -3.726 1.00 0.00 H new ATOM 0 HG12 ILE A 46 7.802 -0.979 -2.625 1.00 0.00 H new ATOM 0 HG13 ILE A 46 6.567 -1.919 -3.439 1.00 0.00 H new ATOM 0 HG21 ILE A 46 6.077 0.384 -1.562 1.00 0.00 H new ATOM 0 HG22 ILE A 46 4.893 1.277 -2.547 1.00 0.00 H new ATOM 0 HG23 ILE A 46 4.778 -0.493 -2.405 1.00 0.00 H new ATOM 0 HD11 ILE A 46 8.738 -2.210 -4.510 1.00 0.00 H new ATOM 0 HD12 ILE A 46 7.598 -1.411 -5.618 1.00 0.00 H new ATOM 0 HD13 ILE A 46 8.852 -0.457 -4.792 1.00 0.00 H new ATOM 689 N PHE A 47 4.510 2.302 -4.818 1.00 0.00 N ATOM 690 CA PHE A 47 3.423 3.282 -4.781 1.00 0.00 C ATOM 691 C PHE A 47 2.256 2.861 -5.671 1.00 0.00 C ATOM 692 O PHE A 47 1.088 2.999 -5.310 1.00 0.00 O ATOM 693 CB PHE A 47 3.982 4.625 -5.269 1.00 0.00 C ATOM 694 CG PHE A 47 2.942 5.607 -5.746 1.00 0.00 C ATOM 695 CD1 PHE A 47 1.930 6.031 -4.904 1.00 0.00 C ATOM 696 CD2 PHE A 47 2.976 6.085 -7.046 1.00 0.00 C ATOM 697 CE1 PHE A 47 0.971 6.918 -5.350 1.00 0.00 C ATOM 698 CE2 PHE A 47 2.020 6.975 -7.496 1.00 0.00 C ATOM 699 CZ PHE A 47 1.015 7.392 -6.647 1.00 0.00 C ATOM 0 H PHE A 47 5.439 2.716 -4.742 1.00 0.00 H new ATOM 0 HA PHE A 47 3.046 3.359 -3.761 1.00 0.00 H new ATOM 0 HB2 PHE A 47 4.549 5.083 -4.458 1.00 0.00 H new ATOM 0 HB3 PHE A 47 4.684 4.437 -6.082 1.00 0.00 H new ATOM 0 HD1 PHE A 47 1.890 5.665 -3.889 1.00 0.00 H new ATOM 0 HD2 PHE A 47 3.758 5.758 -7.715 1.00 0.00 H new ATOM 0 HE1 PHE A 47 0.185 7.242 -4.684 1.00 0.00 H new ATOM 0 HE2 PHE A 47 2.059 7.344 -8.510 1.00 0.00 H new ATOM 0 HZ PHE A 47 0.265 8.087 -6.995 1.00 0.00 H new ATOM 709 N ARG A 48 2.605 2.350 -6.832 1.00 0.00 N ATOM 710 CA ARG A 48 1.623 1.926 -7.813 1.00 0.00 C ATOM 711 C ARG A 48 0.651 0.890 -7.257 1.00 0.00 C ATOM 712 O ARG A 48 -0.510 0.851 -7.668 1.00 0.00 O ATOM 713 CB ARG A 48 2.331 1.402 -9.057 1.00 0.00 C ATOM 714 CG ARG A 48 3.329 2.401 -9.620 1.00 0.00 C ATOM 715 CD ARG A 48 2.721 3.794 -9.744 1.00 0.00 C ATOM 716 NE ARG A 48 1.492 3.779 -10.529 1.00 0.00 N ATOM 717 CZ ARG A 48 1.464 3.641 -11.850 1.00 0.00 C ATOM 718 NH1 ARG A 48 2.595 3.505 -12.530 1.00 0.00 N ATOM 719 NH2 ARG A 48 0.305 3.634 -12.492 1.00 0.00 N ATOM 0 H ARG A 48 3.573 2.216 -7.124 1.00 0.00 H new ATOM 0 HA ARG A 48 1.023 2.796 -8.080 1.00 0.00 H new ATOM 0 HB2 ARG A 48 2.848 0.474 -8.814 1.00 0.00 H new ATOM 0 HB3 ARG A 48 1.590 1.163 -9.820 1.00 0.00 H new ATOM 0 HG2 ARG A 48 4.206 2.443 -8.974 1.00 0.00 H new ATOM 0 HG3 ARG A 48 3.669 2.064 -10.599 1.00 0.00 H new ATOM 0 HD2 ARG A 48 2.513 4.190 -8.750 1.00 0.00 H new ATOM 0 HD3 ARG A 48 3.442 4.466 -10.210 1.00 0.00 H new ATOM 0 HE ARG A 48 0.605 3.880 -10.036 1.00 0.00 H new ATOM 0 HH11 ARG A 48 3.489 3.506 -12.039 1.00 0.00 H new ATOM 0 HH12 ARG A 48 2.571 3.399 -13.544 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -0.567 3.735 -11.972 1.00 0.00 H new ATOM 0 HH22 ARG A 48 0.284 3.528 -13.506 1.00 0.00 H new ATOM 733 N PHE A 49 1.103 0.047 -6.322 1.00 0.00 N ATOM 734 CA PHE A 49 0.234 -0.955 -5.730 1.00 0.00 C ATOM 735 C PHE A 49 -1.121 -0.334 -5.344 1.00 0.00 C ATOM 736 O PHE A 49 -2.166 -0.781 -5.814 1.00 0.00 O ATOM 737 CB PHE A 49 0.937 -1.612 -4.525 1.00 0.00 C ATOM 738 CG PHE A 49 0.570 -1.035 -3.189 1.00 0.00 C ATOM 739 CD1 PHE A 49 -0.642 -1.364 -2.605 1.00 0.00 C ATOM 740 CD2 PHE A 49 1.413 -0.155 -2.535 1.00 0.00 C ATOM 741 CE1 PHE A 49 -1.008 -0.822 -1.396 1.00 0.00 C ATOM 742 CE2 PHE A 49 1.055 0.386 -1.317 1.00 0.00 C ATOM 743 CZ PHE A 49 -0.158 0.054 -0.747 1.00 0.00 C ATOM 0 H PHE A 49 2.059 0.044 -5.966 1.00 0.00 H new ATOM 0 HA PHE A 49 0.030 -1.737 -6.462 1.00 0.00 H new ATOM 0 HB2 PHE A 49 0.702 -2.676 -4.522 1.00 0.00 H new ATOM 0 HB3 PHE A 49 2.015 -1.524 -4.659 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -1.306 -2.053 -3.105 1.00 0.00 H new ATOM 0 HD2 PHE A 49 2.360 0.111 -2.981 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -1.959 -1.080 -0.954 1.00 0.00 H new ATOM 0 HE2 PHE A 49 1.722 1.068 -0.811 1.00 0.00 H new ATOM 0 HZ PHE A 49 -0.442 0.478 0.205 1.00 0.00 H new ATOM 753 N ILE A 50 -1.094 0.700 -4.493 1.00 0.00 N ATOM 754 CA ILE A 50 -2.328 1.374 -4.088 1.00 0.00 C ATOM 755 C ILE A 50 -2.952 2.024 -5.326 1.00 0.00 C ATOM 756 O ILE A 50 -2.658 1.603 -6.445 1.00 0.00 O ATOM 757 CB ILE A 50 -2.126 2.423 -2.935 1.00 0.00 C ATOM 758 CG1 ILE A 50 -0.680 2.925 -2.824 1.00 0.00 C ATOM 759 CG2 ILE A 50 -2.580 1.862 -1.600 1.00 0.00 C ATOM 760 CD1 ILE A 50 -0.486 3.920 -1.697 1.00 0.00 C ATOM 0 H ILE A 50 -0.244 1.081 -4.079 1.00 0.00 H new ATOM 0 HA ILE A 50 -2.999 0.624 -3.670 1.00 0.00 H new ATOM 0 HB ILE A 50 -2.747 3.279 -3.199 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -0.016 2.074 -2.669 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -0.389 3.389 -3.766 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -2.429 2.609 -0.821 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -3.638 1.604 -1.655 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -2.000 0.970 -1.364 1.00 0.00 H new ATOM 0 HD11 ILE A 50 0.556 4.239 -1.668 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -1.126 4.787 -1.862 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -0.748 3.451 -0.749 1.00 0.00 H new ATOM 772 N ASP A 51 -3.799 3.032 -5.159 1.00 0.00 N ATOM 773 CA ASP A 51 -4.429 3.673 -6.298 1.00 0.00 C ATOM 774 C ASP A 51 -3.395 4.268 -7.265 1.00 0.00 C ATOM 775 O ASP A 51 -2.194 4.254 -6.999 1.00 0.00 O ATOM 776 CB ASP A 51 -5.405 4.732 -5.804 1.00 0.00 C ATOM 777 CG ASP A 51 -6.788 4.161 -5.590 1.00 0.00 C ATOM 778 OD1 ASP A 51 -7.060 3.656 -4.479 1.00 0.00 O ATOM 779 OD2 ASP A 51 -7.598 4.219 -6.534 1.00 0.00 O ATOM 0 H ASP A 51 -4.062 3.418 -4.252 1.00 0.00 H new ATOM 0 HA ASP A 51 -4.978 2.919 -6.862 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -5.038 5.157 -4.870 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -5.455 5.546 -6.527 1.00 0.00 H new ATOM 784 N ASN A 52 -3.891 4.787 -8.387 1.00 0.00 N ATOM 785 CA ASN A 52 -3.044 5.357 -9.441 1.00 0.00 C ATOM 786 C ASN A 52 -3.046 6.886 -9.433 1.00 0.00 C ATOM 787 O ASN A 52 -3.205 7.510 -10.481 1.00 0.00 O ATOM 788 CB ASN A 52 -3.510 4.851 -10.807 1.00 0.00 C ATOM 789 CG ASN A 52 -2.520 5.160 -11.914 1.00 0.00 C ATOM 790 OD1 ASN A 52 -1.761 6.125 -11.835 1.00 0.00 O ATOM 791 ND2 ASN A 52 -2.523 4.335 -12.955 1.00 0.00 N ATOM 0 H ASN A 52 -4.889 4.826 -8.594 1.00 0.00 H new ATOM 0 HA ASN A 52 -2.022 5.032 -9.245 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -3.668 3.774 -10.756 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -4.472 5.303 -11.049 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -1.878 4.490 -13.730 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -3.170 3.547 -12.979 1.00 0.00 H new ATOM 798 N ASP A 53 -2.896 7.482 -8.250 1.00 0.00 N ATOM 799 CA ASP A 53 -2.883 8.949 -8.093 1.00 0.00 C ATOM 800 C ASP A 53 -4.305 9.475 -7.950 1.00 0.00 C ATOM 801 O ASP A 53 -4.620 10.192 -7.001 1.00 0.00 O ATOM 802 CB ASP A 53 -2.180 9.642 -9.267 1.00 0.00 C ATOM 803 CG ASP A 53 -0.854 8.994 -9.611 1.00 0.00 C ATOM 804 OD1 ASP A 53 0.175 9.408 -9.038 1.00 0.00 O ATOM 805 OD2 ASP A 53 -0.844 8.071 -10.453 1.00 0.00 O ATOM 0 H ASP A 53 -2.780 6.971 -7.375 1.00 0.00 H new ATOM 0 HA ASP A 53 -2.320 9.178 -7.188 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -2.830 9.618 -10.141 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -2.015 10.691 -9.020 1.00 0.00 H new ATOM 810 N GLN A 54 -5.157 9.096 -8.895 1.00 0.00 N ATOM 811 CA GLN A 54 -6.560 9.478 -8.891 1.00 0.00 C ATOM 812 C GLN A 54 -6.792 10.981 -9.038 1.00 0.00 C ATOM 813 O GLN A 54 -7.492 11.415 -9.952 1.00 0.00 O ATOM 814 CB GLN A 54 -7.198 8.946 -7.617 1.00 0.00 C ATOM 815 CG GLN A 54 -6.760 7.524 -7.307 1.00 0.00 C ATOM 816 CD GLN A 54 -7.463 6.924 -6.113 1.00 0.00 C ATOM 817 OE1 GLN A 54 -6.802 6.961 -4.962 1.00 0.00 O flip ATOM 818 NE2 GLN A 54 -8.573 6.412 -6.226 1.00 0.00 N flip ATOM 0 H GLN A 54 -4.891 8.513 -9.688 1.00 0.00 H new ATOM 0 HA GLN A 54 -7.028 9.036 -9.770 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -6.935 9.596 -6.782 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -8.283 8.977 -7.716 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -6.944 6.897 -8.180 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -5.685 7.514 -7.128 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -9.043 6.407 -7.131 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -9.026 5.991 -5.414 1.00 0.00 H new ATOM 827 N SER A 55 -6.213 11.769 -8.147 1.00 0.00 N ATOM 828 CA SER A 55 -6.384 13.216 -8.193 1.00 0.00 C ATOM 829 C SER A 55 -5.162 13.928 -7.632 1.00 0.00 C ATOM 830 O SER A 55 -5.281 14.980 -7.003 1.00 0.00 O ATOM 831 CB SER A 55 -7.629 13.626 -7.405 1.00 0.00 C ATOM 832 OG SER A 55 -7.874 15.017 -7.524 1.00 0.00 O ATOM 0 H SER A 55 -5.622 11.435 -7.385 1.00 0.00 H new ATOM 0 HA SER A 55 -6.505 13.508 -9.236 1.00 0.00 H new ATOM 0 HB2 SER A 55 -8.493 13.069 -7.768 1.00 0.00 H new ATOM 0 HB3 SER A 55 -7.500 13.365 -6.355 1.00 0.00 H new ATOM 0 HG SER A 55 -7.036 15.509 -7.396 1.00 0.00 H new ATOM 838 N GLY A 56 -3.988 13.353 -7.860 1.00 0.00 N ATOM 839 CA GLY A 56 -2.768 13.961 -7.364 1.00 0.00 C ATOM 840 C GLY A 56 -2.210 13.233 -6.163 1.00 0.00 C ATOM 841 O GLY A 56 -1.011 13.294 -5.888 1.00 0.00 O ATOM 0 H GLY A 56 -3.859 12.483 -8.376 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -2.022 13.972 -8.158 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -2.965 14.999 -7.097 1.00 0.00 H new ATOM 845 N TYR A 57 -3.085 12.542 -5.449 1.00 0.00 N ATOM 846 CA TYR A 57 -2.697 11.807 -4.251 1.00 0.00 C ATOM 847 C TYR A 57 -3.778 10.804 -3.885 1.00 0.00 C ATOM 848 O TYR A 57 -4.897 10.863 -4.393 1.00 0.00 O ATOM 849 CB TYR A 57 -2.472 12.761 -3.061 1.00 0.00 C ATOM 850 CG TYR A 57 -2.701 14.212 -3.379 1.00 0.00 C ATOM 851 CD1 TYR A 57 -3.979 14.713 -3.354 1.00 0.00 C ATOM 852 CD2 TYR A 57 -1.658 15.063 -3.715 1.00 0.00 C ATOM 853 CE1 TYR A 57 -4.236 16.037 -3.658 1.00 0.00 C ATOM 854 CE2 TYR A 57 -1.896 16.391 -4.017 1.00 0.00 C ATOM 855 CZ TYR A 57 -3.188 16.873 -3.987 1.00 0.00 C ATOM 856 OH TYR A 57 -3.434 18.192 -4.290 1.00 0.00 O ATOM 0 H TYR A 57 -4.076 12.474 -5.679 1.00 0.00 H new ATOM 0 HA TYR A 57 -1.763 11.287 -4.466 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -3.136 12.470 -2.247 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -1.451 12.637 -2.699 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -4.799 14.061 -3.092 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -0.647 14.683 -3.741 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -5.248 16.414 -3.638 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -1.077 17.046 -4.274 1.00 0.00 H new ATOM 0 HH TYR A 57 -2.589 18.643 -4.498 1.00 0.00 H new ATOM 866 N LEU A 58 -3.433 9.889 -3.001 1.00 0.00 N ATOM 867 CA LEU A 58 -4.370 8.880 -2.543 1.00 0.00 C ATOM 868 C LEU A 58 -4.860 9.265 -1.154 1.00 0.00 C ATOM 869 O LEU A 58 -4.100 9.831 -0.373 1.00 0.00 O ATOM 870 CB LEU A 58 -3.682 7.517 -2.564 1.00 0.00 C ATOM 871 CG LEU A 58 -2.760 7.314 -3.775 1.00 0.00 C ATOM 872 CD1 LEU A 58 -2.142 5.923 -3.774 1.00 0.00 C ATOM 873 CD2 LEU A 58 -3.518 7.570 -5.067 1.00 0.00 C ATOM 0 H LEU A 58 -2.505 9.823 -2.583 1.00 0.00 H new ATOM 0 HA LEU A 58 -5.239 8.818 -3.198 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -3.100 7.399 -1.650 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -4.442 6.735 -2.561 1.00 0.00 H new ATOM 0 HG LEU A 58 -1.945 8.035 -3.703 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -1.495 5.812 -4.644 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -1.555 5.786 -2.866 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -2.933 5.174 -3.812 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -2.850 7.422 -5.916 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -4.357 6.878 -5.140 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -3.891 8.594 -5.073 1.00 0.00 H new ATOM 885 N ASP A 59 -6.108 8.945 -0.822 1.00 0.00 N ATOM 886 CA ASP A 59 -6.650 9.350 0.472 1.00 0.00 C ATOM 887 C ASP A 59 -7.670 8.352 1.022 1.00 0.00 C ATOM 888 O ASP A 59 -8.203 7.515 0.293 1.00 0.00 O ATOM 889 CB ASP A 59 -7.287 10.738 0.345 1.00 0.00 C ATOM 890 CG ASP A 59 -7.580 11.373 1.690 1.00 0.00 C ATOM 891 OD1 ASP A 59 -6.695 12.079 2.218 1.00 0.00 O ATOM 892 OD2 ASP A 59 -8.694 11.162 2.216 1.00 0.00 O ATOM 0 H ASP A 59 -6.750 8.419 -1.415 1.00 0.00 H new ATOM 0 HA ASP A 59 -5.822 9.378 1.181 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -6.621 11.388 -0.222 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -8.213 10.657 -0.224 1.00 0.00 H new ATOM 897 N GLY A 60 -7.940 8.472 2.318 1.00 0.00 N ATOM 898 CA GLY A 60 -8.837 7.562 3.011 1.00 0.00 C ATOM 899 C GLY A 60 -10.028 7.087 2.200 1.00 0.00 C ATOM 900 O GLY A 60 -10.404 5.916 2.273 1.00 0.00 O ATOM 0 H GLY A 60 -7.544 9.200 2.913 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -8.267 6.691 3.334 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -9.204 8.054 3.912 1.00 0.00 H new ATOM 904 N ASP A 61 -10.613 7.978 1.417 1.00 0.00 N ATOM 905 CA ASP A 61 -11.790 7.628 0.635 1.00 0.00 C ATOM 906 C ASP A 61 -11.413 6.810 -0.584 1.00 0.00 C ATOM 907 O ASP A 61 -12.037 5.796 -0.897 1.00 0.00 O ATOM 908 CB ASP A 61 -12.519 8.887 0.171 1.00 0.00 C ATOM 909 CG ASP A 61 -12.497 9.995 1.206 1.00 0.00 C ATOM 910 OD1 ASP A 61 -11.501 10.748 1.248 1.00 0.00 O ATOM 911 OD2 ASP A 61 -13.474 10.109 1.976 1.00 0.00 O ATOM 0 H ASP A 61 -10.297 8.941 1.305 1.00 0.00 H new ATOM 0 HA ASP A 61 -12.443 7.037 1.278 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -12.061 9.248 -0.750 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -13.553 8.636 -0.064 1.00 0.00 H new ATOM 916 N GLU A 62 -10.378 7.272 -1.262 1.00 0.00 N ATOM 917 CA GLU A 62 -9.924 6.656 -2.488 1.00 0.00 C ATOM 918 C GLU A 62 -9.114 5.386 -2.245 1.00 0.00 C ATOM 919 O GLU A 62 -9.122 4.469 -3.068 1.00 0.00 O ATOM 920 CB GLU A 62 -9.107 7.663 -3.276 1.00 0.00 C ATOM 921 CG GLU A 62 -9.774 9.015 -3.392 1.00 0.00 C ATOM 922 CD GLU A 62 -11.040 8.974 -4.224 1.00 0.00 C ATOM 923 OE1 GLU A 62 -10.948 9.160 -5.455 1.00 0.00 O ATOM 924 OE2 GLU A 62 -12.125 8.758 -3.643 1.00 0.00 O ATOM 0 H GLU A 62 -9.831 8.084 -0.976 1.00 0.00 H new ATOM 0 HA GLU A 62 -10.804 6.356 -3.057 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -8.135 7.785 -2.798 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -8.924 7.269 -4.276 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -10.012 9.385 -2.395 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -9.075 9.723 -3.837 1.00 0.00 H new ATOM 931 N LEU A 63 -8.415 5.331 -1.116 1.00 0.00 N ATOM 932 CA LEU A 63 -7.581 4.178 -0.792 1.00 0.00 C ATOM 933 C LEU A 63 -8.320 2.863 -1.011 1.00 0.00 C ATOM 934 O LEU A 63 -7.724 1.889 -1.466 1.00 0.00 O ATOM 935 CB LEU A 63 -7.047 4.287 0.645 1.00 0.00 C ATOM 936 CG LEU A 63 -5.978 5.377 0.831 1.00 0.00 C ATOM 937 CD1 LEU A 63 -5.264 5.263 2.165 1.00 0.00 C ATOM 938 CD2 LEU A 63 -4.974 5.354 -0.311 1.00 0.00 C ATOM 0 H LEU A 63 -8.409 6.069 -0.412 1.00 0.00 H new ATOM 0 HA LEU A 63 -6.731 4.180 -1.475 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -7.880 4.491 1.317 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -6.627 3.326 0.940 1.00 0.00 H new ATOM 0 HG LEU A 63 -6.500 6.334 0.822 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -4.519 6.055 2.248 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -5.988 5.359 2.974 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -4.771 4.293 2.232 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -4.229 6.134 -0.156 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -4.481 4.382 -0.343 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -5.492 5.529 -1.254 1.00 0.00 H new ATOM 950 N LYS A 64 -9.608 2.821 -0.693 1.00 0.00 N ATOM 951 CA LYS A 64 -10.381 1.604 -0.900 1.00 0.00 C ATOM 952 C LYS A 64 -10.420 1.202 -2.365 1.00 0.00 C ATOM 953 O LYS A 64 -10.686 0.044 -2.690 1.00 0.00 O ATOM 954 CB LYS A 64 -11.809 1.820 -0.403 1.00 0.00 C ATOM 955 CG LYS A 64 -11.897 2.385 1.002 1.00 0.00 C ATOM 956 CD LYS A 64 -13.000 3.424 1.117 1.00 0.00 C ATOM 957 CE LYS A 64 -14.338 2.871 0.657 1.00 0.00 C ATOM 958 NZ LYS A 64 -15.410 3.904 0.690 1.00 0.00 N ATOM 0 H LYS A 64 -10.132 3.602 -0.297 1.00 0.00 H new ATOM 0 HA LYS A 64 -9.897 0.803 -0.341 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -12.322 2.495 -1.087 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -12.341 0.869 -0.435 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -12.082 1.577 1.709 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -10.942 2.835 1.275 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -13.080 3.758 2.151 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -12.742 4.298 0.519 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -14.240 2.482 -0.357 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -14.622 2.033 1.294 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -16.306 3.485 0.369 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -15.522 4.257 1.662 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -15.152 4.692 0.063 1.00 0.00 H new ATOM 972 N TYR A 65 -10.156 2.151 -3.249 1.00 0.00 N ATOM 973 CA TYR A 65 -10.160 1.859 -4.677 1.00 0.00 C ATOM 974 C TYR A 65 -8.898 1.101 -5.099 1.00 0.00 C ATOM 975 O TYR A 65 -8.849 0.540 -6.192 1.00 0.00 O ATOM 976 CB TYR A 65 -10.295 3.140 -5.503 1.00 0.00 C ATOM 977 CG TYR A 65 -11.403 4.066 -5.046 1.00 0.00 C ATOM 978 CD1 TYR A 65 -12.423 3.617 -4.216 1.00 0.00 C ATOM 979 CD2 TYR A 65 -11.416 5.400 -5.435 1.00 0.00 C ATOM 980 CE1 TYR A 65 -13.424 4.473 -3.789 1.00 0.00 C ATOM 981 CE2 TYR A 65 -12.414 6.258 -5.016 1.00 0.00 C ATOM 982 CZ TYR A 65 -13.414 5.790 -4.192 1.00 0.00 C ATOM 983 OH TYR A 65 -14.408 6.643 -3.770 1.00 0.00 O ATOM 0 H TYR A 65 -9.939 3.118 -3.010 1.00 0.00 H new ATOM 0 HA TYR A 65 -11.025 1.224 -4.869 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -9.349 3.681 -5.469 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -10.471 2.870 -6.544 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -12.435 2.585 -3.899 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -10.631 5.773 -6.077 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -14.209 4.110 -3.143 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -12.410 7.291 -5.333 1.00 0.00 H new ATOM 0 HH TYR A 65 -14.028 7.531 -3.604 1.00 0.00 H new ATOM 993 N PHE A 66 -7.875 1.076 -4.236 1.00 0.00 N ATOM 994 CA PHE A 66 -6.621 0.379 -4.558 1.00 0.00 C ATOM 995 C PHE A 66 -6.927 -1.018 -5.110 1.00 0.00 C ATOM 996 O PHE A 66 -6.488 -1.383 -6.200 1.00 0.00 O ATOM 997 CB PHE A 66 -5.707 0.301 -3.295 1.00 0.00 C ATOM 998 CG PHE A 66 -5.112 -1.059 -3.020 1.00 0.00 C ATOM 999 CD1 PHE A 66 -4.315 -1.686 -3.964 1.00 0.00 C ATOM 1000 CD2 PHE A 66 -5.381 -1.715 -1.835 1.00 0.00 C ATOM 1001 CE1 PHE A 66 -3.791 -2.942 -3.723 1.00 0.00 C ATOM 1002 CE2 PHE A 66 -4.868 -2.972 -1.589 1.00 0.00 C ATOM 1003 CZ PHE A 66 -4.068 -3.586 -2.533 1.00 0.00 C ATOM 0 H PHE A 66 -7.888 1.524 -3.320 1.00 0.00 H new ATOM 0 HA PHE A 66 -6.085 0.938 -5.325 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -4.895 1.020 -3.408 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -6.288 0.609 -2.426 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -4.101 -1.188 -4.898 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -6.001 -1.238 -1.091 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -3.166 -3.419 -4.464 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -5.092 -3.475 -0.660 1.00 0.00 H new ATOM 0 HZ PHE A 66 -3.660 -4.567 -2.341 1.00 0.00 H new ATOM 1013 N LEU A 67 -7.684 -1.783 -4.338 1.00 0.00 N ATOM 1014 CA LEU A 67 -8.070 -3.127 -4.734 1.00 0.00 C ATOM 1015 C LEU A 67 -8.961 -3.059 -5.957 1.00 0.00 C ATOM 1016 O LEU A 67 -8.997 -3.972 -6.773 1.00 0.00 O ATOM 1017 CB LEU A 67 -8.819 -3.816 -3.597 1.00 0.00 C ATOM 1018 CG LEU A 67 -7.934 -4.505 -2.558 1.00 0.00 C ATOM 1019 CD1 LEU A 67 -8.784 -5.155 -1.479 1.00 0.00 C ATOM 1020 CD2 LEU A 67 -7.031 -5.530 -3.222 1.00 0.00 C ATOM 0 H LEU A 67 -8.044 -1.493 -3.429 1.00 0.00 H new ATOM 0 HA LEU A 67 -7.172 -3.699 -4.966 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -9.438 -3.076 -3.090 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -9.494 -4.557 -4.025 1.00 0.00 H new ATOM 0 HG LEU A 67 -7.304 -3.750 -2.087 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -8.136 -5.640 -0.749 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -9.385 -4.394 -0.982 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -9.441 -5.898 -1.932 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -6.409 -6.010 -2.467 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -7.641 -6.283 -3.722 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -6.395 -5.034 -3.955 1.00 0.00 H new ATOM 1032 N GLN A 68 -9.696 -1.969 -6.055 1.00 0.00 N ATOM 1033 CA GLN A 68 -10.596 -1.755 -7.164 1.00 0.00 C ATOM 1034 C GLN A 68 -9.823 -1.503 -8.452 1.00 0.00 C ATOM 1035 O GLN A 68 -10.213 -1.969 -9.518 1.00 0.00 O ATOM 1036 CB GLN A 68 -11.550 -0.609 -6.832 1.00 0.00 C ATOM 1037 CG GLN A 68 -12.518 -0.968 -5.719 1.00 0.00 C ATOM 1038 CD GLN A 68 -13.749 -0.085 -5.703 1.00 0.00 C ATOM 1039 OE1 GLN A 68 -13.696 1.084 -6.086 1.00 0.00 O ATOM 1040 NE2 GLN A 68 -14.868 -0.644 -5.258 1.00 0.00 N ATOM 0 H GLN A 68 -9.685 -1.212 -5.371 1.00 0.00 H new ATOM 0 HA GLN A 68 -11.189 -2.655 -7.328 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -10.973 0.268 -6.539 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -12.112 -0.337 -7.725 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -12.824 -2.008 -5.832 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -12.007 -0.888 -4.760 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -14.865 -1.617 -4.951 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -15.731 -0.101 -5.224 1.00 0.00 H new ATOM 1049 N LYS A 69 -8.728 -0.769 -8.370 1.00 0.00 N ATOM 1050 CA LYS A 69 -7.925 -0.521 -9.551 1.00 0.00 C ATOM 1051 C LYS A 69 -7.473 -1.833 -10.180 1.00 0.00 C ATOM 1052 O LYS A 69 -7.647 -2.058 -11.377 1.00 0.00 O ATOM 1053 CB LYS A 69 -6.692 0.300 -9.178 1.00 0.00 C ATOM 1054 CG LYS A 69 -6.992 1.542 -8.352 1.00 0.00 C ATOM 1055 CD LYS A 69 -8.234 2.266 -8.834 1.00 0.00 C ATOM 1056 CE LYS A 69 -8.146 2.617 -10.312 1.00 0.00 C ATOM 1057 NZ LYS A 69 -9.436 3.149 -10.833 1.00 0.00 N ATOM 0 H LYS A 69 -8.379 -0.341 -7.512 1.00 0.00 H new ATOM 0 HA LYS A 69 -8.535 0.028 -10.268 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -6.003 -0.334 -8.621 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -6.180 0.601 -10.092 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -7.121 1.259 -7.307 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -6.139 2.219 -8.395 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -9.110 1.640 -8.661 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -8.373 3.177 -8.252 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -7.360 3.357 -10.463 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -7.863 1.731 -10.880 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -9.335 3.376 -11.843 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -10.181 2.433 -10.712 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -9.694 4.009 -10.309 1.00 0.00 H new ATOM 1071 N PHE A 70 -6.892 -2.689 -9.356 1.00 0.00 N ATOM 1072 CA PHE A 70 -6.382 -3.974 -9.814 1.00 0.00 C ATOM 1073 C PHE A 70 -7.455 -5.075 -9.794 1.00 0.00 C ATOM 1074 O PHE A 70 -7.738 -5.693 -10.820 1.00 0.00 O ATOM 1075 CB PHE A 70 -5.143 -4.342 -8.961 1.00 0.00 C ATOM 1076 CG PHE A 70 -5.113 -5.743 -8.394 1.00 0.00 C ATOM 1077 CD1 PHE A 70 -4.852 -6.832 -9.209 1.00 0.00 C ATOM 1078 CD2 PHE A 70 -5.347 -5.960 -7.046 1.00 0.00 C ATOM 1079 CE1 PHE A 70 -4.824 -8.113 -8.688 1.00 0.00 C ATOM 1080 CE2 PHE A 70 -5.320 -7.237 -6.518 1.00 0.00 C ATOM 1081 CZ PHE A 70 -5.059 -8.315 -7.341 1.00 0.00 C ATOM 0 H PHE A 70 -6.760 -2.517 -8.359 1.00 0.00 H new ATOM 0 HA PHE A 70 -6.087 -3.889 -10.860 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -4.252 -4.201 -9.573 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -5.076 -3.636 -8.133 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -4.668 -6.679 -10.262 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -5.553 -5.120 -6.399 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -4.619 -8.955 -9.333 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -5.502 -7.391 -5.465 1.00 0.00 H new ATOM 0 HZ PHE A 70 -5.039 -9.315 -6.933 1.00 0.00 H new ATOM 1091 N GLN A 71 -8.041 -5.314 -8.627 1.00 0.00 N ATOM 1092 CA GLN A 71 -9.041 -6.369 -8.464 1.00 0.00 C ATOM 1093 C GLN A 71 -10.443 -5.950 -8.915 1.00 0.00 C ATOM 1094 O GLN A 71 -11.344 -6.788 -8.922 1.00 0.00 O ATOM 1095 CB GLN A 71 -9.093 -6.796 -6.996 1.00 0.00 C ATOM 1096 CG GLN A 71 -9.790 -8.130 -6.770 1.00 0.00 C ATOM 1097 CD GLN A 71 -10.388 -8.263 -5.381 1.00 0.00 C ATOM 1098 OE1 GLN A 71 -11.087 -7.227 -4.923 1.00 0.00 O flip ATOM 1099 NE2 GLN A 71 -10.251 -9.303 -4.736 1.00 0.00 N flip ATOM 0 H GLN A 71 -7.842 -4.790 -7.775 1.00 0.00 H new ATOM 0 HA GLN A 71 -8.734 -7.196 -9.104 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -8.076 -6.858 -6.609 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -9.607 -6.026 -6.421 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -10.579 -8.251 -7.512 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -9.076 -8.938 -6.930 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -9.707 -10.075 -5.122 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -10.681 -9.393 -3.816 1.00 0.00 H new ATOM 1108 N SER A 72 -10.597 -4.695 -9.370 1.00 0.00 N ATOM 1109 CA SER A 72 -11.904 -4.133 -9.793 1.00 0.00 C ATOM 1110 C SER A 72 -13.104 -4.892 -9.224 1.00 0.00 C ATOM 1111 O SER A 72 -14.092 -5.135 -9.919 1.00 0.00 O ATOM 1112 CB SER A 72 -11.992 -4.109 -11.315 1.00 0.00 C ATOM 1113 OG SER A 72 -10.991 -3.273 -11.871 1.00 0.00 O ATOM 0 H SER A 72 -9.823 -4.037 -9.457 1.00 0.00 H new ATOM 0 HA SER A 72 -11.949 -3.121 -9.391 1.00 0.00 H new ATOM 0 HB2 SER A 72 -11.883 -5.121 -11.705 1.00 0.00 H new ATOM 0 HB3 SER A 72 -12.977 -3.755 -11.620 1.00 0.00 H new ATOM 0 HG SER A 72 -10.595 -2.722 -11.164 1.00 0.00 H new ATOM 1119 N ASP A 73 -12.992 -5.265 -7.955 1.00 0.00 N ATOM 1120 CA ASP A 73 -14.047 -5.988 -7.261 1.00 0.00 C ATOM 1121 C ASP A 73 -13.832 -5.923 -5.753 1.00 0.00 C ATOM 1122 O ASP A 73 -14.306 -6.787 -5.014 1.00 0.00 O ATOM 1123 CB ASP A 73 -14.089 -7.445 -7.724 1.00 0.00 C ATOM 1124 CG ASP A 73 -15.275 -8.198 -7.155 1.00 0.00 C ATOM 1125 OD1 ASP A 73 -16.351 -8.177 -7.790 1.00 0.00 O ATOM 1126 OD2 ASP A 73 -15.130 -8.809 -6.075 1.00 0.00 O ATOM 0 H ASP A 73 -12.170 -5.075 -7.381 1.00 0.00 H new ATOM 0 HA ASP A 73 -15.001 -5.518 -7.499 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -14.131 -7.476 -8.813 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -13.168 -7.945 -7.426 1.00 0.00 H new ATOM 1131 N ALA A 74 -13.115 -4.897 -5.295 1.00 0.00 N ATOM 1132 CA ALA A 74 -12.825 -4.741 -3.883 1.00 0.00 C ATOM 1133 C ALA A 74 -14.093 -4.510 -3.074 1.00 0.00 C ATOM 1134 O ALA A 74 -15.088 -4.006 -3.594 1.00 0.00 O ATOM 1135 CB ALA A 74 -11.865 -3.578 -3.678 1.00 0.00 C ATOM 0 H ALA A 74 -12.727 -4.164 -5.888 1.00 0.00 H new ATOM 0 HA ALA A 74 -12.365 -5.665 -3.532 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -11.651 -3.466 -2.615 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -10.937 -3.773 -4.216 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -12.318 -2.661 -4.056 1.00 0.00 H new ATOM 1141 N ARG A 75 -14.050 -4.882 -1.802 1.00 0.00 N ATOM 1142 CA ARG A 75 -15.193 -4.672 -0.919 1.00 0.00 C ATOM 1143 C ARG A 75 -15.157 -3.253 -0.340 1.00 0.00 C ATOM 1144 O ARG A 75 -16.009 -2.887 0.468 1.00 0.00 O ATOM 1145 CB ARG A 75 -15.251 -5.713 0.211 1.00 0.00 C ATOM 1146 CG ARG A 75 -13.932 -6.411 0.507 1.00 0.00 C ATOM 1147 CD ARG A 75 -12.875 -5.436 1.005 1.00 0.00 C ATOM 1148 NE ARG A 75 -11.538 -6.023 0.977 1.00 0.00 N ATOM 1149 CZ ARG A 75 -11.146 -7.004 1.783 1.00 0.00 C ATOM 1150 NH1 ARG A 75 -11.977 -7.489 2.696 1.00 0.00 N ATOM 1151 NH2 ARG A 75 -9.919 -7.496 1.682 1.00 0.00 N ATOM 0 H ARG A 75 -13.245 -5.327 -1.360 1.00 0.00 H new ATOM 0 HA ARG A 75 -16.097 -4.795 -1.516 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -15.598 -5.222 1.120 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -15.995 -6.467 -0.047 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -14.092 -7.187 1.255 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -13.573 -6.907 -0.395 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -12.890 -4.537 0.388 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -13.115 -5.128 2.023 1.00 0.00 H new ATOM 0 HE ARG A 75 -10.867 -5.659 0.300 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -12.920 -7.109 2.781 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -11.673 -8.242 3.313 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -9.275 -7.121 0.985 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -9.619 -8.249 2.301 1.00 0.00 H new ATOM 1165 N GLU A 76 -14.151 -2.465 -0.760 1.00 0.00 N ATOM 1166 CA GLU A 76 -13.981 -1.076 -0.326 1.00 0.00 C ATOM 1167 C GLU A 76 -13.189 -0.996 0.963 1.00 0.00 C ATOM 1168 O GLU A 76 -13.519 -0.229 1.869 1.00 0.00 O ATOM 1169 CB GLU A 76 -15.318 -0.367 -0.172 1.00 0.00 C ATOM 1170 CG GLU A 76 -16.207 -0.512 -1.390 1.00 0.00 C ATOM 1171 CD GLU A 76 -17.625 -0.038 -1.142 1.00 0.00 C ATOM 1172 OE1 GLU A 76 -17.878 1.177 -1.280 1.00 0.00 O ATOM 1173 OE2 GLU A 76 -18.484 -0.883 -0.808 1.00 0.00 O ATOM 0 H GLU A 76 -13.433 -2.780 -1.412 1.00 0.00 H new ATOM 0 HA GLU A 76 -13.419 -0.565 -1.107 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -15.837 -0.766 0.700 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -15.142 0.692 0.019 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -15.779 0.055 -2.216 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -16.227 -1.558 -1.697 1.00 0.00 H new ATOM 1180 N LEU A 77 -12.118 -1.773 1.002 1.00 0.00 N ATOM 1181 CA LEU A 77 -11.218 -1.859 2.142 1.00 0.00 C ATOM 1182 C LEU A 77 -11.869 -1.566 3.491 1.00 0.00 C ATOM 1183 O LEU A 77 -11.217 -1.036 4.387 1.00 0.00 O ATOM 1184 CB LEU A 77 -10.063 -0.917 1.877 1.00 0.00 C ATOM 1185 CG LEU A 77 -9.267 -1.297 0.636 1.00 0.00 C ATOM 1186 CD1 LEU A 77 -8.037 -0.442 0.516 1.00 0.00 C ATOM 1187 CD2 LEU A 77 -8.894 -2.763 0.687 1.00 0.00 C ATOM 0 H LEU A 77 -11.844 -2.375 0.225 1.00 0.00 H new ATOM 0 HA LEU A 77 -10.884 -2.893 2.230 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -10.446 0.097 1.762 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -9.399 -0.911 2.741 1.00 0.00 H new ATOM 0 HG LEU A 77 -9.887 -1.125 -0.244 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -7.481 -0.728 -0.377 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -8.328 0.606 0.442 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -7.409 -0.583 1.396 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -8.325 -3.025 -0.205 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -8.288 -2.954 1.573 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -9.800 -3.368 0.730 1.00 0.00 H new ATOM 1199 N THR A 78 -13.143 -1.937 3.628 1.00 0.00 N ATOM 1200 CA THR A 78 -13.905 -1.739 4.865 1.00 0.00 C ATOM 1201 C THR A 78 -13.472 -0.480 5.620 1.00 0.00 C ATOM 1202 O THR A 78 -12.869 0.431 5.054 1.00 0.00 O ATOM 1203 CB THR A 78 -13.764 -2.955 5.801 1.00 0.00 C ATOM 1204 OG1 THR A 78 -12.474 -2.944 6.426 1.00 0.00 O ATOM 1205 CG2 THR A 78 -13.941 -4.256 5.032 1.00 0.00 C ATOM 0 H THR A 78 -13.678 -2.384 2.884 1.00 0.00 H new ATOM 0 HA THR A 78 -14.946 -1.621 4.566 1.00 0.00 H new ATOM 0 HB THR A 78 -14.542 -2.890 6.562 1.00 0.00 H new ATOM 0 HG1 THR A 78 -12.392 -3.719 7.021 1.00 0.00 H new ATOM 0 HG21 THR A 78 -13.837 -5.099 5.715 1.00 0.00 H new ATOM 0 HG22 THR A 78 -14.931 -4.278 4.577 1.00 0.00 H new ATOM 0 HG23 THR A 78 -13.182 -4.324 4.253 1.00 0.00 H new ATOM 1213 N GLU A 79 -13.868 -0.394 6.872 1.00 0.00 N ATOM 1214 CA GLU A 79 -13.468 0.717 7.712 1.00 0.00 C ATOM 1215 C GLU A 79 -11.993 0.597 8.109 1.00 0.00 C ATOM 1216 O GLU A 79 -11.211 1.539 7.969 1.00 0.00 O ATOM 1217 CB GLU A 79 -14.344 0.788 8.954 1.00 0.00 C ATOM 1218 CG GLU A 79 -15.738 1.309 8.662 1.00 0.00 C ATOM 1219 CD GLU A 79 -15.726 2.583 7.840 1.00 0.00 C ATOM 1220 OE1 GLU A 79 -15.677 2.486 6.595 1.00 0.00 O ATOM 1221 OE2 GLU A 79 -15.769 3.678 8.441 1.00 0.00 O ATOM 0 H GLU A 79 -14.467 -1.080 7.332 1.00 0.00 H new ATOM 0 HA GLU A 79 -13.596 1.637 7.141 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -14.418 -0.205 9.398 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -13.868 1.433 9.693 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -16.304 0.544 8.130 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -16.257 1.493 9.603 1.00 0.00 H new ATOM 1228 N SER A 80 -11.640 -0.590 8.607 1.00 0.00 N ATOM 1229 CA SER A 80 -10.295 -0.890 9.115 1.00 0.00 C ATOM 1230 C SER A 80 -9.245 -1.248 8.055 1.00 0.00 C ATOM 1231 O SER A 80 -8.050 -1.076 8.295 1.00 0.00 O ATOM 1232 CB SER A 80 -10.396 -2.042 10.097 1.00 0.00 C ATOM 1233 OG SER A 80 -9.357 -1.993 11.059 1.00 0.00 O ATOM 0 H SER A 80 -12.284 -1.379 8.671 1.00 0.00 H new ATOM 0 HA SER A 80 -9.945 0.036 9.572 1.00 0.00 H new ATOM 0 HB2 SER A 80 -11.362 -2.009 10.601 1.00 0.00 H new ATOM 0 HB3 SER A 80 -10.350 -2.988 9.557 1.00 0.00 H new ATOM 0 HG SER A 80 -9.595 -2.554 11.827 1.00 0.00 H new ATOM 1239 N GLU A 81 -9.667 -1.740 6.897 1.00 0.00 N ATOM 1240 CA GLU A 81 -8.705 -2.186 5.882 1.00 0.00 C ATOM 1241 C GLU A 81 -7.866 -1.028 5.327 1.00 0.00 C ATOM 1242 O GLU A 81 -6.657 -1.169 5.145 1.00 0.00 O ATOM 1243 CB GLU A 81 -9.415 -2.948 4.761 1.00 0.00 C ATOM 1244 CG GLU A 81 -8.624 -4.122 4.239 1.00 0.00 C ATOM 1245 CD GLU A 81 -9.465 -5.077 3.415 1.00 0.00 C ATOM 1246 OE1 GLU A 81 -10.251 -5.842 4.012 1.00 0.00 O ATOM 1247 OE2 GLU A 81 -9.338 -5.058 2.173 1.00 0.00 O ATOM 0 H GLU A 81 -10.647 -1.842 6.635 1.00 0.00 H new ATOM 0 HA GLU A 81 -8.009 -2.867 6.372 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -10.379 -3.303 5.127 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -9.619 -2.262 3.938 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -7.797 -3.756 3.631 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -8.187 -4.662 5.079 1.00 0.00 H new ATOM 1254 N THR A 82 -8.501 0.113 5.059 1.00 0.00 N ATOM 1255 CA THR A 82 -7.784 1.286 4.563 1.00 0.00 C ATOM 1256 C THR A 82 -6.785 1.794 5.603 1.00 0.00 C ATOM 1257 O THR A 82 -5.875 2.551 5.270 1.00 0.00 O ATOM 1258 CB THR A 82 -8.744 2.430 4.225 1.00 0.00 C ATOM 1259 OG1 THR A 82 -9.443 2.856 5.401 1.00 0.00 O ATOM 1260 CG2 THR A 82 -9.736 1.998 3.164 1.00 0.00 C ATOM 0 H THR A 82 -9.505 0.249 5.176 1.00 0.00 H new ATOM 0 HA THR A 82 -7.259 0.973 3.660 1.00 0.00 H new ATOM 0 HB THR A 82 -8.159 3.264 3.838 1.00 0.00 H new ATOM 0 HG1 THR A 82 -10.052 3.589 5.172 1.00 0.00 H new ATOM 0 HG21 THR A 82 -10.409 2.825 2.937 1.00 0.00 H new ATOM 0 HG22 THR A 82 -9.199 1.709 2.260 1.00 0.00 H new ATOM 0 HG23 THR A 82 -10.314 1.149 3.530 1.00 0.00 H new ATOM 1268 N LYS A 83 -6.926 1.323 6.852 1.00 0.00 N ATOM 1269 CA LYS A 83 -6.061 1.758 7.942 1.00 0.00 C ATOM 1270 C LYS A 83 -4.603 1.579 7.562 1.00 0.00 C ATOM 1271 O LYS A 83 -3.790 2.483 7.741 1.00 0.00 O ATOM 1272 CB LYS A 83 -6.369 0.964 9.206 1.00 0.00 C ATOM 1273 CG LYS A 83 -5.608 1.454 10.424 1.00 0.00 C ATOM 1274 CD LYS A 83 -5.777 2.947 10.635 1.00 0.00 C ATOM 1275 CE LYS A 83 -7.225 3.297 10.909 1.00 0.00 C ATOM 1276 NZ LYS A 83 -7.385 4.710 11.346 1.00 0.00 N ATOM 0 H LYS A 83 -7.633 0.641 7.125 1.00 0.00 H new ATOM 0 HA LYS A 83 -6.248 2.815 8.132 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -7.439 1.018 9.409 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -6.130 -0.085 9.035 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -5.957 0.921 11.308 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -4.549 1.221 10.308 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -5.156 3.272 11.470 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -5.430 3.484 9.752 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -7.815 3.127 10.009 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -7.619 2.633 11.678 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -8.391 4.907 11.523 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -6.843 4.867 12.220 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -7.033 5.346 10.602 1.00 0.00 H new ATOM 1290 N SER A 84 -4.276 0.403 7.042 1.00 0.00 N ATOM 1291 CA SER A 84 -2.918 0.122 6.607 1.00 0.00 C ATOM 1292 C SER A 84 -2.470 1.202 5.635 1.00 0.00 C ATOM 1293 O SER A 84 -1.395 1.784 5.780 1.00 0.00 O ATOM 1294 CB SER A 84 -2.853 -1.242 5.935 1.00 0.00 C ATOM 1295 OG SER A 84 -1.922 -2.091 6.584 1.00 0.00 O ATOM 0 H SER A 84 -4.931 -0.368 6.912 1.00 0.00 H new ATOM 0 HA SER A 84 -2.256 0.114 7.473 1.00 0.00 H new ATOM 0 HB2 SER A 84 -3.840 -1.704 5.948 1.00 0.00 H new ATOM 0 HB3 SER A 84 -2.571 -1.122 4.889 1.00 0.00 H new ATOM 0 HG SER A 84 -2.366 -2.562 7.320 1.00 0.00 H new ATOM 1301 N LEU A 85 -3.316 1.461 4.644 1.00 0.00 N ATOM 1302 CA LEU A 85 -3.055 2.477 3.655 1.00 0.00 C ATOM 1303 C LEU A 85 -2.916 3.844 4.339 1.00 0.00 C ATOM 1304 O LEU A 85 -1.992 4.599 4.052 1.00 0.00 O ATOM 1305 CB LEU A 85 -4.193 2.456 2.642 1.00 0.00 C ATOM 1306 CG LEU A 85 -4.430 1.098 1.997 1.00 0.00 C ATOM 1307 CD1 LEU A 85 -5.525 1.183 0.946 1.00 0.00 C ATOM 1308 CD2 LEU A 85 -3.144 0.560 1.386 1.00 0.00 C ATOM 0 H LEU A 85 -4.199 0.968 4.512 1.00 0.00 H new ATOM 0 HA LEU A 85 -2.118 2.284 3.133 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -5.110 2.776 3.136 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -3.982 3.185 1.860 1.00 0.00 H new ATOM 0 HG LEU A 85 -4.756 0.407 2.774 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -5.677 0.201 0.499 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -6.452 1.517 1.412 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -5.232 1.893 0.172 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -3.336 -0.411 0.930 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -2.785 1.253 0.625 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -2.389 0.453 2.164 1.00 0.00 H new ATOM 1320 N MET A 86 -3.832 4.134 5.265 1.00 0.00 N ATOM 1321 CA MET A 86 -3.784 5.375 6.016 1.00 0.00 C ATOM 1322 C MET A 86 -2.440 5.464 6.734 1.00 0.00 C ATOM 1323 O MET A 86 -1.728 6.463 6.644 1.00 0.00 O ATOM 1324 CB MET A 86 -4.908 5.430 7.052 1.00 0.00 C ATOM 1325 CG MET A 86 -6.304 5.076 6.551 1.00 0.00 C ATOM 1326 SD MET A 86 -6.635 5.510 4.848 1.00 0.00 S ATOM 1327 CE MET A 86 -6.099 7.212 4.766 1.00 0.00 C ATOM 0 H MET A 86 -4.612 3.523 5.507 1.00 0.00 H new ATOM 0 HA MET A 86 -3.907 6.209 5.325 1.00 0.00 H new ATOM 0 HB2 MET A 86 -4.655 4.753 7.868 1.00 0.00 H new ATOM 0 HB3 MET A 86 -4.939 6.436 7.470 1.00 0.00 H new ATOM 0 HG2 MET A 86 -6.455 4.003 6.672 1.00 0.00 H new ATOM 0 HG3 MET A 86 -7.037 5.574 7.185 1.00 0.00 H new ATOM 0 HE1 MET A 86 -5.601 7.391 3.813 1.00 0.00 H new ATOM 0 HE2 MET A 86 -6.963 7.870 4.853 1.00 0.00 H new ATOM 0 HE3 MET A 86 -5.405 7.415 5.582 1.00 0.00 H new ATOM 1337 N ASP A 87 -2.114 4.389 7.450 1.00 0.00 N ATOM 1338 CA ASP A 87 -0.867 4.274 8.201 1.00 0.00 C ATOM 1339 C ASP A 87 0.336 4.008 7.286 1.00 0.00 C ATOM 1340 O ASP A 87 1.476 3.954 7.746 1.00 0.00 O ATOM 1341 CB ASP A 87 -0.986 3.135 9.206 1.00 0.00 C ATOM 1342 CG ASP A 87 -1.988 3.432 10.304 1.00 0.00 C ATOM 1343 OD1 ASP A 87 -3.201 3.472 10.007 1.00 0.00 O ATOM 1344 OD2 ASP A 87 -1.560 3.626 11.461 1.00 0.00 O ATOM 0 H ASP A 87 -2.714 3.567 7.525 1.00 0.00 H new ATOM 0 HA ASP A 87 -0.700 5.224 8.709 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -1.282 2.225 8.685 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -0.010 2.944 9.651 1.00 0.00 H new ATOM 1349 N ALA A 88 0.071 3.841 5.994 1.00 0.00 N ATOM 1350 CA ALA A 88 1.108 3.509 5.018 1.00 0.00 C ATOM 1351 C ALA A 88 2.096 4.642 4.753 1.00 0.00 C ATOM 1352 O ALA A 88 3.240 4.389 4.373 1.00 0.00 O ATOM 1353 CB ALA A 88 0.452 3.079 3.729 1.00 0.00 C ATOM 0 H ALA A 88 -0.863 3.931 5.594 1.00 0.00 H new ATOM 0 HA ALA A 88 1.697 2.698 5.445 1.00 0.00 H new ATOM 0 HB1 ALA A 88 1.219 2.830 2.996 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -0.172 2.205 3.913 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -0.165 3.892 3.346 1.00 0.00 H new ATOM 1359 N ALA A 89 1.671 5.884 4.942 1.00 0.00 N ATOM 1360 CA ALA A 89 2.559 7.014 4.696 1.00 0.00 C ATOM 1361 C ALA A 89 2.141 8.254 5.481 1.00 0.00 C ATOM 1362 O ALA A 89 2.655 8.505 6.570 1.00 0.00 O ATOM 1363 CB ALA A 89 2.626 7.318 3.201 1.00 0.00 C ATOM 0 H ALA A 89 0.734 6.133 5.259 1.00 0.00 H new ATOM 0 HA ALA A 89 3.552 6.734 5.046 1.00 0.00 H new ATOM 0 HB1 ALA A 89 3.292 8.164 3.031 1.00 0.00 H new ATOM 0 HB2 ALA A 89 3.005 6.445 2.669 1.00 0.00 H new ATOM 0 HB3 ALA A 89 1.629 7.562 2.834 1.00 0.00 H new ATOM 1369 N ASP A 90 1.214 9.027 4.931 1.00 0.00 N ATOM 1370 CA ASP A 90 0.759 10.238 5.592 1.00 0.00 C ATOM 1371 C ASP A 90 -0.323 9.915 6.619 1.00 0.00 C ATOM 1372 O ASP A 90 -1.505 10.189 6.413 1.00 0.00 O ATOM 1373 CB ASP A 90 0.270 11.254 4.566 1.00 0.00 C ATOM 1374 CG ASP A 90 0.769 12.648 4.879 1.00 0.00 C ATOM 1375 OD1 ASP A 90 0.841 12.994 6.075 1.00 0.00 O ATOM 1376 OD2 ASP A 90 1.094 13.393 3.931 1.00 0.00 O ATOM 0 H ASP A 90 0.766 8.837 4.034 1.00 0.00 H new ATOM 0 HA ASP A 90 1.599 10.682 6.126 1.00 0.00 H new ATOM 0 HB2 ASP A 90 0.609 10.960 3.573 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -0.820 11.254 4.544 1.00 0.00 H new ATOM 1381 N ASN A 91 0.109 9.327 7.726 1.00 0.00 N ATOM 1382 CA ASN A 91 -0.787 8.932 8.813 1.00 0.00 C ATOM 1383 C ASN A 91 -0.989 10.080 9.786 1.00 0.00 C ATOM 1384 O ASN A 91 -2.111 10.498 10.070 1.00 0.00 O ATOM 1385 CB ASN A 91 -0.219 7.737 9.596 1.00 0.00 C ATOM 1386 CG ASN A 91 0.837 6.981 8.861 1.00 0.00 C ATOM 1387 OD1 ASN A 91 0.589 6.751 7.603 1.00 0.00 O flip ATOM 1388 ND2 ASN A 91 1.861 6.594 9.426 1.00 0.00 N flip ATOM 0 H ASN A 91 1.090 9.109 7.899 1.00 0.00 H new ATOM 0 HA ASN A 91 -1.737 8.653 8.357 1.00 0.00 H new ATOM 0 HB2 ASN A 91 0.194 8.096 10.539 1.00 0.00 H new ATOM 0 HB3 ASN A 91 -1.034 7.057 9.843 1.00 0.00 H new ATOM 0 HD21 ASN A 91 2.007 6.801 10.414 1.00 0.00 H new ATOM 0 HD22 ASN A 91 2.562 6.067 8.906 1.00 0.00 H new ATOM 1395 N ASP A 92 0.129 10.577 10.289 1.00 0.00 N ATOM 1396 CA ASP A 92 0.133 11.658 11.271 1.00 0.00 C ATOM 1397 C ASP A 92 0.556 12.985 10.651 1.00 0.00 C ATOM 1398 O ASP A 92 1.105 13.845 11.339 1.00 0.00 O ATOM 1399 CB ASP A 92 1.063 11.308 12.433 1.00 0.00 C ATOM 1400 CG ASP A 92 0.995 12.325 13.557 1.00 0.00 C ATOM 1401 OD1 ASP A 92 0.104 12.195 14.421 1.00 0.00 O ATOM 1402 OD2 ASP A 92 1.836 13.248 13.574 1.00 0.00 O ATOM 0 H ASP A 92 1.059 10.246 10.031 1.00 0.00 H new ATOM 0 HA ASP A 92 -0.887 11.772 11.639 1.00 0.00 H new ATOM 0 HB2 ASP A 92 0.800 10.324 12.821 1.00 0.00 H new ATOM 0 HB3 ASP A 92 2.088 11.243 12.067 1.00 0.00 H new ATOM 1407 N GLY A 93 0.306 13.159 9.358 1.00 0.00 N ATOM 1408 CA GLY A 93 0.713 14.392 8.704 1.00 0.00 C ATOM 1409 C GLY A 93 -0.243 14.872 7.614 1.00 0.00 C ATOM 1410 O GLY A 93 -0.007 15.921 7.015 1.00 0.00 O ATOM 0 H GLY A 93 -0.164 12.481 8.758 1.00 0.00 H new ATOM 0 HA2 GLY A 93 0.809 15.174 9.457 1.00 0.00 H new ATOM 0 HA3 GLY A 93 1.701 14.248 8.267 1.00 0.00 H new ATOM 1414 N ASP A 94 -1.321 14.128 7.353 1.00 0.00 N ATOM 1415 CA ASP A 94 -2.272 14.512 6.311 1.00 0.00 C ATOM 1416 C ASP A 94 -3.413 13.505 6.200 1.00 0.00 C ATOM 1417 O ASP A 94 -4.576 13.832 6.436 1.00 0.00 O ATOM 1418 CB ASP A 94 -1.571 14.635 4.957 1.00 0.00 C ATOM 1419 CG ASP A 94 -2.396 15.414 3.950 1.00 0.00 C ATOM 1420 OD1 ASP A 94 -2.306 16.659 3.947 1.00 0.00 O ATOM 1421 OD2 ASP A 94 -3.130 14.778 3.165 1.00 0.00 O ATOM 0 H ASP A 94 -1.554 13.265 7.844 1.00 0.00 H new ATOM 0 HA ASP A 94 -2.687 15.480 6.593 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -0.608 15.127 5.092 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -1.368 13.639 4.564 1.00 0.00 H new ATOM 1426 N GLY A 95 -3.060 12.274 5.835 1.00 0.00 N ATOM 1427 CA GLY A 95 -4.049 11.224 5.665 1.00 0.00 C ATOM 1428 C GLY A 95 -4.081 10.676 4.242 1.00 0.00 C ATOM 1429 O GLY A 95 -4.874 9.785 3.936 1.00 0.00 O ATOM 0 H GLY A 95 -2.099 11.985 5.653 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -3.834 10.411 6.359 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -5.034 11.612 5.924 1.00 0.00 H new ATOM 1433 N LYS A 96 -3.214 11.205 3.373 1.00 0.00 N ATOM 1434 CA LYS A 96 -3.149 10.767 1.981 1.00 0.00 C ATOM 1435 C LYS A 96 -1.916 9.884 1.759 1.00 0.00 C ATOM 1436 O LYS A 96 -0.960 9.954 2.527 1.00 0.00 O ATOM 1437 CB LYS A 96 -3.141 12.010 1.052 1.00 0.00 C ATOM 1438 CG LYS A 96 -1.800 12.343 0.393 1.00 0.00 C ATOM 1439 CD LYS A 96 -0.692 12.516 1.413 1.00 0.00 C ATOM 1440 CE LYS A 96 0.194 13.701 1.061 1.00 0.00 C ATOM 1441 NZ LYS A 96 0.801 13.557 -0.291 1.00 0.00 N ATOM 0 H LYS A 96 -2.547 11.939 3.613 1.00 0.00 H new ATOM 0 HA LYS A 96 -4.026 10.166 1.741 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -3.882 11.858 0.267 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -3.464 12.875 1.632 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -1.531 11.548 -0.303 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -1.901 13.258 -0.191 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -1.124 12.662 2.403 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -0.090 11.608 1.459 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -0.394 14.618 1.099 1.00 0.00 H new ATOM 0 HE3 LYS A 96 0.984 13.798 1.806 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 1.835 13.641 -0.218 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 0.556 12.626 -0.684 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 0.436 14.303 -0.917 1.00 0.00 H new ATOM 1455 N ILE A 97 -1.935 9.056 0.713 1.00 0.00 N ATOM 1456 CA ILE A 97 -0.791 8.200 0.425 1.00 0.00 C ATOM 1457 C ILE A 97 -0.312 8.351 -1.010 1.00 0.00 C ATOM 1458 O ILE A 97 -0.866 7.748 -1.924 1.00 0.00 O ATOM 1459 CB ILE A 97 -1.110 6.716 0.630 1.00 0.00 C ATOM 1460 CG1 ILE A 97 -1.768 6.479 1.978 1.00 0.00 C ATOM 1461 CG2 ILE A 97 0.164 5.898 0.509 1.00 0.00 C ATOM 1462 CD1 ILE A 97 -0.896 6.855 3.155 1.00 0.00 C ATOM 0 H ILE A 97 -2.716 8.963 0.064 1.00 0.00 H new ATOM 0 HA ILE A 97 -0.018 8.522 1.123 1.00 0.00 H new ATOM 0 HB ILE A 97 -1.813 6.402 -0.142 1.00 0.00 H new ATOM 0 HG12 ILE A 97 -2.694 7.052 2.026 1.00 0.00 H new ATOM 0 HG13 ILE A 97 -2.039 5.426 2.060 1.00 0.00 H new ATOM 0 HG21 ILE A 97 -0.066 4.843 0.655 1.00 0.00 H new ATOM 0 HG22 ILE A 97 0.596 6.041 -0.482 1.00 0.00 H new ATOM 0 HG23 ILE A 97 0.878 6.222 1.266 1.00 0.00 H new ATOM 0 HD11 ILE A 97 -1.433 6.658 4.083 1.00 0.00 H new ATOM 0 HD12 ILE A 97 0.020 6.264 3.133 1.00 0.00 H new ATOM 0 HD13 ILE A 97 -0.645 7.914 3.099 1.00 0.00 H new ATOM 1474 N GLY A 98 0.735 9.137 -1.195 1.00 0.00 N ATOM 1475 CA GLY A 98 1.321 9.320 -2.506 1.00 0.00 C ATOM 1476 C GLY A 98 2.694 8.689 -2.584 1.00 0.00 C ATOM 1477 O GLY A 98 3.256 8.308 -1.566 1.00 0.00 O ATOM 0 H GLY A 98 1.196 9.659 -0.449 1.00 0.00 H new ATOM 0 HA2 GLY A 98 0.672 8.879 -3.262 1.00 0.00 H new ATOM 0 HA3 GLY A 98 1.394 10.384 -2.730 1.00 0.00 H new ATOM 1481 N ALA A 99 3.234 8.570 -3.783 1.00 0.00 N ATOM 1482 CA ALA A 99 4.553 7.960 -3.946 1.00 0.00 C ATOM 1483 C ALA A 99 5.580 8.642 -3.045 1.00 0.00 C ATOM 1484 O ALA A 99 6.344 7.979 -2.342 1.00 0.00 O ATOM 1485 CB ALA A 99 5.000 8.022 -5.398 1.00 0.00 C ATOM 0 H ALA A 99 2.793 8.880 -4.649 1.00 0.00 H new ATOM 0 HA ALA A 99 4.478 6.913 -3.653 1.00 0.00 H new ATOM 0 HB1 ALA A 99 5.984 7.563 -5.496 1.00 0.00 H new ATOM 0 HB2 ALA A 99 4.285 7.485 -6.022 1.00 0.00 H new ATOM 0 HB3 ALA A 99 5.052 9.062 -5.719 1.00 0.00 H new ATOM 1491 N ASP A 100 5.591 9.968 -3.073 1.00 0.00 N ATOM 1492 CA ASP A 100 6.506 10.743 -2.243 1.00 0.00 C ATOM 1493 C ASP A 100 6.279 10.424 -0.772 1.00 0.00 C ATOM 1494 O ASP A 100 7.221 10.148 -0.031 1.00 0.00 O ATOM 1495 CB ASP A 100 6.316 12.241 -2.492 1.00 0.00 C ATOM 1496 CG ASP A 100 6.671 12.641 -3.911 1.00 0.00 C ATOM 1497 OD1 ASP A 100 5.773 12.613 -4.779 1.00 0.00 O ATOM 1498 OD2 ASP A 100 7.848 12.983 -4.154 1.00 0.00 O ATOM 0 H ASP A 100 4.977 10.530 -3.662 1.00 0.00 H new ATOM 0 HA ASP A 100 7.528 10.473 -2.509 1.00 0.00 H new ATOM 0 HB2 ASP A 100 5.280 12.512 -2.290 1.00 0.00 H new ATOM 0 HB3 ASP A 100 6.935 12.804 -1.793 1.00 0.00 H new ATOM 1503 N GLU A 101 5.016 10.457 -0.363 1.00 0.00 N ATOM 1504 CA GLU A 101 4.635 10.156 1.007 1.00 0.00 C ATOM 1505 C GLU A 101 5.019 8.723 1.342 1.00 0.00 C ATOM 1506 O GLU A 101 5.695 8.465 2.337 1.00 0.00 O ATOM 1507 CB GLU A 101 3.122 10.366 1.175 1.00 0.00 C ATOM 1508 CG GLU A 101 2.725 11.609 1.964 1.00 0.00 C ATOM 1509 CD GLU A 101 3.723 12.750 1.863 1.00 0.00 C ATOM 1510 OE1 GLU A 101 3.591 13.573 0.932 1.00 0.00 O ATOM 1511 OE2 GLU A 101 4.634 12.819 2.713 1.00 0.00 O ATOM 0 H GLU A 101 4.232 10.693 -0.971 1.00 0.00 H new ATOM 0 HA GLU A 101 5.159 10.824 1.691 1.00 0.00 H new ATOM 0 HB2 GLU A 101 2.667 10.421 0.186 1.00 0.00 H new ATOM 0 HB3 GLU A 101 2.702 9.491 1.671 1.00 0.00 H new ATOM 0 HG2 GLU A 101 1.754 11.957 1.610 1.00 0.00 H new ATOM 0 HG3 GLU A 101 2.604 11.338 3.013 1.00 0.00 H new ATOM 1518 N PHE A 102 4.582 7.792 0.504 1.00 0.00 N ATOM 1519 CA PHE A 102 4.908 6.391 0.695 1.00 0.00 C ATOM 1520 C PHE A 102 6.419 6.217 0.797 1.00 0.00 C ATOM 1521 O PHE A 102 6.911 5.490 1.660 1.00 0.00 O ATOM 1522 CB PHE A 102 4.337 5.532 -0.437 1.00 0.00 C ATOM 1523 CG PHE A 102 4.591 4.072 -0.209 1.00 0.00 C ATOM 1524 CD1 PHE A 102 5.874 3.563 -0.292 1.00 0.00 C ATOM 1525 CD2 PHE A 102 3.553 3.217 0.124 1.00 0.00 C ATOM 1526 CE1 PHE A 102 6.120 2.230 -0.049 1.00 0.00 C ATOM 1527 CE2 PHE A 102 3.794 1.876 0.364 1.00 0.00 C ATOM 1528 CZ PHE A 102 5.080 1.383 0.279 1.00 0.00 C ATOM 0 H PHE A 102 4.002 7.985 -0.313 1.00 0.00 H new ATOM 0 HA PHE A 102 4.452 6.055 1.626 1.00 0.00 H new ATOM 0 HB2 PHE A 102 3.264 5.706 -0.520 1.00 0.00 H new ATOM 0 HB3 PHE A 102 4.783 5.835 -1.384 1.00 0.00 H new ATOM 0 HD1 PHE A 102 6.693 4.218 -0.550 1.00 0.00 H new ATOM 0 HD2 PHE A 102 2.546 3.601 0.197 1.00 0.00 H new ATOM 0 HE1 PHE A 102 7.128 1.847 -0.115 1.00 0.00 H new ATOM 0 HE2 PHE A 102 2.977 1.216 0.617 1.00 0.00 H new ATOM 0 HZ PHE A 102 5.273 0.337 0.469 1.00 0.00 H new ATOM 1538 N GLN A 103 7.155 6.887 -0.089 1.00 0.00 N ATOM 1539 CA GLN A 103 8.612 6.810 -0.070 1.00 0.00 C ATOM 1540 C GLN A 103 9.142 7.166 1.313 1.00 0.00 C ATOM 1541 O GLN A 103 10.197 6.685 1.728 1.00 0.00 O ATOM 1542 CB GLN A 103 9.218 7.746 -1.113 1.00 0.00 C ATOM 1543 CG GLN A 103 9.026 7.272 -2.532 1.00 0.00 C ATOM 1544 CD GLN A 103 10.207 6.477 -3.046 1.00 0.00 C ATOM 1545 OE1 GLN A 103 10.894 5.798 -2.281 1.00 0.00 O ATOM 1546 NE2 GLN A 103 10.454 6.560 -4.346 1.00 0.00 N ATOM 0 H GLN A 103 6.770 7.483 -0.821 1.00 0.00 H new ATOM 0 HA GLN A 103 8.901 5.787 -0.311 1.00 0.00 H new ATOM 0 HB2 GLN A 103 8.772 8.735 -1.005 1.00 0.00 H new ATOM 0 HB3 GLN A 103 10.285 7.855 -0.916 1.00 0.00 H new ATOM 0 HG2 GLN A 103 8.128 6.657 -2.587 1.00 0.00 H new ATOM 0 HG3 GLN A 103 8.863 8.133 -3.180 1.00 0.00 H new ATOM 0 HE21 GLN A 103 9.859 7.135 -4.943 1.00 0.00 H new ATOM 0 HE22 GLN A 103 11.239 6.049 -4.750 1.00 0.00 H new ATOM 1555 N GLU A 104 8.402 8.014 2.025 1.00 0.00 N ATOM 1556 CA GLU A 104 8.808 8.427 3.366 1.00 0.00 C ATOM 1557 C GLU A 104 8.779 7.239 4.321 1.00 0.00 C ATOM 1558 O GLU A 104 9.618 7.124 5.215 1.00 0.00 O ATOM 1559 CB GLU A 104 7.907 9.543 3.899 1.00 0.00 C ATOM 1560 CG GLU A 104 7.865 10.775 3.010 1.00 0.00 C ATOM 1561 CD GLU A 104 9.247 11.285 2.654 1.00 0.00 C ATOM 1562 OE1 GLU A 104 9.868 10.722 1.728 1.00 0.00 O ATOM 1563 OE2 GLU A 104 9.710 12.249 3.300 1.00 0.00 O ATOM 0 H GLU A 104 7.527 8.425 1.700 1.00 0.00 H new ATOM 0 HA GLU A 104 9.827 8.810 3.301 1.00 0.00 H new ATOM 0 HB2 GLU A 104 6.895 9.156 4.015 1.00 0.00 H new ATOM 0 HB3 GLU A 104 8.253 9.834 4.891 1.00 0.00 H new ATOM 0 HG2 GLU A 104 7.322 10.540 2.095 1.00 0.00 H new ATOM 0 HG3 GLU A 104 7.310 11.565 3.516 1.00 0.00 H new ATOM 1570 N MET A 105 7.803 6.359 4.122 1.00 0.00 N ATOM 1571 CA MET A 105 7.646 5.179 4.965 1.00 0.00 C ATOM 1572 C MET A 105 8.888 4.293 4.918 1.00 0.00 C ATOM 1573 O MET A 105 9.489 4.002 5.951 1.00 0.00 O ATOM 1574 CB MET A 105 6.416 4.387 4.530 1.00 0.00 C ATOM 1575 CG MET A 105 5.762 3.618 5.663 1.00 0.00 C ATOM 1576 SD MET A 105 6.787 2.265 6.269 1.00 0.00 S ATOM 1577 CE MET A 105 5.808 1.696 7.657 1.00 0.00 C ATOM 0 H MET A 105 7.106 6.441 3.381 1.00 0.00 H new ATOM 0 HA MET A 105 7.513 5.513 5.994 1.00 0.00 H new ATOM 0 HB2 MET A 105 5.687 5.072 4.097 1.00 0.00 H new ATOM 0 HB3 MET A 105 6.702 3.688 3.744 1.00 0.00 H new ATOM 0 HG2 MET A 105 5.548 4.302 6.484 1.00 0.00 H new ATOM 0 HG3 MET A 105 4.806 3.220 5.322 1.00 0.00 H new ATOM 0 HE1 MET A 105 6.411 1.037 8.282 1.00 0.00 H new ATOM 0 HE2 MET A 105 5.478 2.552 8.245 1.00 0.00 H new ATOM 0 HE3 MET A 105 4.938 1.152 7.290 1.00 0.00 H new ATOM 1587 N VAL A 106 9.271 3.865 3.718 1.00 0.00 N ATOM 1588 CA VAL A 106 10.447 3.021 3.554 1.00 0.00 C ATOM 1589 C VAL A 106 11.699 3.731 4.063 1.00 0.00 C ATOM 1590 O VAL A 106 12.694 3.093 4.410 1.00 0.00 O ATOM 1591 CB VAL A 106 10.663 2.635 2.079 1.00 0.00 C ATOM 1592 CG1 VAL A 106 10.932 3.875 1.244 1.00 0.00 C ATOM 1593 CG2 VAL A 106 11.798 1.627 1.944 1.00 0.00 C ATOM 0 H VAL A 106 8.785 4.089 2.849 1.00 0.00 H new ATOM 0 HA VAL A 106 10.273 2.117 4.137 1.00 0.00 H new ATOM 0 HB VAL A 106 9.754 2.163 1.707 1.00 0.00 H new ATOM 0 HG11 VAL A 106 11.083 3.587 0.204 1.00 0.00 H new ATOM 0 HG12 VAL A 106 10.081 4.552 1.314 1.00 0.00 H new ATOM 0 HG13 VAL A 106 11.826 4.377 1.615 1.00 0.00 H new ATOM 0 HG21 VAL A 106 11.932 1.369 0.894 1.00 0.00 H new ATOM 0 HG22 VAL A 106 12.719 2.062 2.332 1.00 0.00 H new ATOM 0 HG23 VAL A 106 11.555 0.728 2.510 1.00 0.00 H new ATOM 1603 N HIS A 107 11.636 5.058 4.103 1.00 0.00 N ATOM 1604 CA HIS A 107 12.754 5.873 4.560 1.00 0.00 C ATOM 1605 C HIS A 107 12.834 5.893 6.083 1.00 0.00 C ATOM 1606 O HIS A 107 13.886 6.186 6.653 1.00 0.00 O ATOM 1607 CB HIS A 107 12.608 7.297 4.027 1.00 0.00 C ATOM 1608 CG HIS A 107 13.812 8.156 4.265 1.00 0.00 C ATOM 1609 ND1 HIS A 107 13.917 9.026 5.329 1.00 0.00 N ATOM 1610 CD2 HIS A 107 14.966 8.277 3.567 1.00 0.00 C ATOM 1611 CE1 HIS A 107 15.083 9.646 5.275 1.00 0.00 C ATOM 1612 NE2 HIS A 107 15.738 9.209 4.216 1.00 0.00 N ATOM 0 H HIS A 107 10.815 5.594 3.822 1.00 0.00 H new ATOM 0 HA HIS A 107 13.676 5.434 4.178 1.00 0.00 H new ATOM 0 HB2 HIS A 107 12.408 7.256 2.956 1.00 0.00 H new ATOM 0 HB3 HIS A 107 11.741 7.764 4.495 1.00 0.00 H new ATOM 0 HD2 HIS A 107 15.230 7.741 2.668 1.00 0.00 H new ATOM 0 HE1 HIS A 107 15.439 10.385 5.978 1.00 0.00 H new ATOM 0 HE2 HIS A 107 16.667 9.514 3.926 1.00 0.00 H new ATOM 1621 N SER A 108 11.720 5.582 6.739 1.00 0.00 N ATOM 1622 CA SER A 108 11.672 5.568 8.195 1.00 0.00 C ATOM 1623 C SER A 108 12.815 4.739 8.771 1.00 0.00 C ATOM 1624 O SER A 108 13.890 5.316 9.036 1.00 0.00 O ATOM 1625 CB SER A 108 10.331 5.015 8.677 1.00 0.00 C ATOM 1626 OG SER A 108 10.152 3.672 8.260 1.00 0.00 O ATOM 1627 OXT SER A 108 12.625 3.517 8.953 1.00 0.00 O ATOM 0 H SER A 108 10.840 5.337 6.285 1.00 0.00 H new ATOM 0 HA SER A 108 11.781 6.594 8.546 1.00 0.00 H new ATOM 0 HB2 SER A 108 10.281 5.071 9.764 1.00 0.00 H new ATOM 0 HB3 SER A 108 9.520 5.631 8.289 1.00 0.00 H new ATOM 0 HG SER A 108 10.349 3.598 7.303 1.00 0.00 H new TER 1633 SER A 108