USER MOD reduce.3.24.130724 H: found=0, std=0, add=760, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 758 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 43 LYS NZ :NH3+ 149:sc=-0.00102 (180deg=-0.492) USER MOD Set 1.2: A 54 TYR OH : rot 180:sc= 0.0381 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 15:sc= 0.174 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 GLN : amide:sc= -3.15 K(o=-3.2,f=-5.1!) USER MOD Single : A 30 CYS SG : rot 180:sc= -2.48! USER MOD Single : A 33 SER OG : rot -126:sc= 0.0273 USER MOD Single : A 37 THR OG1 : rot -18:sc= -0.0306 USER MOD Single : A 40 HIS : no HD1:sc= -0.243 X(o=-0.24,f=-0.064) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 52 GLN : amide:sc=-0.00433 K(o=-0.0043,f=-1.5) USER MOD Single : A 53 LYS NZ :NH3+ -171:sc= 0.592 (180deg=0.563) USER MOD Single : A 58 CYS SG : rot 180:sc= 0 USER MOD Single : A 61 THR OG1 : rot -4:sc= 0.472 USER MOD Single : A 62 MET CE :methyl -130:sc= -0.48 (180deg=-1.96!) USER MOD Single : A 64 MET CE :methyl 163:sc=-0.00702 (180deg=-0.262) USER MOD Single : A 71 SER OG : rot 19:sc= 0.561 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 TYR OH : rot 180:sc= -0.144 USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 CYS SG : rot 180:sc= -3.46! USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 SER OG : rot -90:sc= 0.334 USER MOD Single : A 88 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 92 HIS : no HD1:sc= -3.65! C(o=-3.6!,f=-3.8!) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 102 SER OG : rot 180:sc= -0.413 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 23.687 22.413 -2.972 1.00 0.00 N ATOM 2 CA GLY A 1 23.682 20.989 -3.252 1.00 0.00 C ATOM 3 C GLY A 1 22.579 20.591 -4.214 1.00 0.00 C ATOM 4 O GLY A 1 22.651 20.884 -5.407 1.00 0.00 O ATOM 0 H1 GLY A 1 24.458 22.634 -2.310 1.00 0.00 H new ATOM 0 H2 GLY A 1 23.828 22.940 -3.857 1.00 0.00 H new ATOM 0 H3 GLY A 1 22.778 22.687 -2.548 1.00 0.00 H new ATOM 0 HA2 GLY A 1 24.646 20.701 -3.670 1.00 0.00 H new ATOM 0 HA3 GLY A 1 23.562 20.439 -2.319 1.00 0.00 H new ATOM 8 N SER A 2 21.557 19.920 -3.694 1.00 0.00 N ATOM 9 CA SER A 2 20.437 19.476 -4.515 1.00 0.00 C ATOM 10 C SER A 2 19.273 20.458 -4.424 1.00 0.00 C ATOM 11 O SER A 2 18.935 20.938 -3.342 1.00 0.00 O ATOM 12 CB SER A 2 19.978 18.082 -4.080 1.00 0.00 C ATOM 13 OG SER A 2 19.553 18.084 -2.728 1.00 0.00 O ATOM 0 H SER A 2 21.481 19.672 -2.708 1.00 0.00 H new ATOM 0 HA SER A 2 20.773 19.433 -5.551 1.00 0.00 H new ATOM 0 HB2 SER A 2 19.162 17.748 -4.721 1.00 0.00 H new ATOM 0 HB3 SER A 2 20.794 17.371 -4.207 1.00 0.00 H new ATOM 0 HG SER A 2 19.263 17.183 -2.475 1.00 0.00 H new ATOM 19 N SER A 3 18.664 20.752 -5.568 1.00 0.00 N ATOM 20 CA SER A 3 17.540 21.680 -5.619 1.00 0.00 C ATOM 21 C SER A 3 16.837 21.608 -6.971 1.00 0.00 C ATOM 22 O SER A 3 17.457 21.799 -8.017 1.00 0.00 O ATOM 23 CB SER A 3 18.019 23.109 -5.357 1.00 0.00 C ATOM 24 OG SER A 3 16.956 23.929 -4.904 1.00 0.00 O ATOM 0 H SER A 3 18.930 20.361 -6.472 1.00 0.00 H new ATOM 0 HA SER A 3 16.829 21.394 -4.843 1.00 0.00 H new ATOM 0 HB2 SER A 3 18.816 23.098 -4.614 1.00 0.00 H new ATOM 0 HB3 SER A 3 18.441 23.527 -6.271 1.00 0.00 H new ATOM 0 HG SER A 3 17.289 24.836 -4.742 1.00 0.00 H new ATOM 30 N GLY A 4 15.537 21.330 -6.941 1.00 0.00 N ATOM 31 CA GLY A 4 14.770 21.237 -8.169 1.00 0.00 C ATOM 32 C GLY A 4 13.609 22.211 -8.203 1.00 0.00 C ATOM 33 O GLY A 4 13.809 23.424 -8.261 1.00 0.00 O ATOM 0 H GLY A 4 15.002 21.168 -6.088 1.00 0.00 H new ATOM 0 HA2 GLY A 4 15.426 21.428 -9.019 1.00 0.00 H new ATOM 0 HA3 GLY A 4 14.391 20.221 -8.281 1.00 0.00 H new ATOM 37 N SER A 5 12.391 21.679 -8.168 1.00 0.00 N ATOM 38 CA SER A 5 11.193 22.510 -8.201 1.00 0.00 C ATOM 39 C SER A 5 10.839 23.007 -6.803 1.00 0.00 C ATOM 40 O SER A 5 10.856 22.244 -5.838 1.00 0.00 O ATOM 41 CB SER A 5 10.019 21.725 -8.789 1.00 0.00 C ATOM 42 OG SER A 5 9.061 22.596 -9.366 1.00 0.00 O ATOM 0 H SER A 5 12.208 20.677 -8.117 1.00 0.00 H new ATOM 0 HA SER A 5 11.396 23.374 -8.834 1.00 0.00 H new ATOM 0 HB2 SER A 5 10.384 21.030 -9.545 1.00 0.00 H new ATOM 0 HB3 SER A 5 9.549 21.128 -8.007 1.00 0.00 H new ATOM 0 HG SER A 5 8.322 22.070 -9.736 1.00 0.00 H new ATOM 48 N SER A 6 10.517 24.293 -6.703 1.00 0.00 N ATOM 49 CA SER A 6 10.162 24.895 -5.423 1.00 0.00 C ATOM 50 C SER A 6 8.647 24.997 -5.273 1.00 0.00 C ATOM 51 O SER A 6 7.957 25.502 -6.157 1.00 0.00 O ATOM 52 CB SER A 6 10.793 26.282 -5.295 1.00 0.00 C ATOM 53 OG SER A 6 10.197 27.199 -6.196 1.00 0.00 O ATOM 0 H SER A 6 10.495 24.938 -7.493 1.00 0.00 H new ATOM 0 HA SER A 6 10.546 24.255 -4.629 1.00 0.00 H new ATOM 0 HB2 SER A 6 10.678 26.644 -4.273 1.00 0.00 H new ATOM 0 HB3 SER A 6 11.863 26.218 -5.492 1.00 0.00 H new ATOM 0 HG SER A 6 9.361 26.822 -6.541 1.00 0.00 H new ATOM 59 N GLY A 7 8.136 24.513 -4.144 1.00 0.00 N ATOM 60 CA GLY A 7 6.707 24.559 -3.897 1.00 0.00 C ATOM 61 C GLY A 7 6.255 23.503 -2.908 1.00 0.00 C ATOM 62 O GLY A 7 7.065 22.878 -2.223 1.00 0.00 O ATOM 0 H GLY A 7 8.687 24.090 -3.397 1.00 0.00 H new ATOM 0 HA2 GLY A 7 6.438 25.545 -3.519 1.00 0.00 H new ATOM 0 HA3 GLY A 7 6.174 24.423 -4.838 1.00 0.00 H new ATOM 66 N PRO A 8 4.933 23.294 -2.823 1.00 0.00 N ATOM 67 CA PRO A 8 4.346 22.307 -1.912 1.00 0.00 C ATOM 68 C PRO A 8 4.644 20.874 -2.338 1.00 0.00 C ATOM 69 O PRO A 8 4.931 20.611 -3.505 1.00 0.00 O ATOM 70 CB PRO A 8 2.844 22.591 -2.003 1.00 0.00 C ATOM 71 CG PRO A 8 2.657 23.217 -3.342 1.00 0.00 C ATOM 72 CD PRO A 8 3.911 24.003 -3.609 1.00 0.00 C ATOM 0 HA PRO A 8 4.750 22.392 -0.903 1.00 0.00 H new ATOM 0 HB2 PRO A 8 2.261 21.674 -1.910 1.00 0.00 H new ATOM 0 HB3 PRO A 8 2.518 23.258 -1.205 1.00 0.00 H new ATOM 0 HG2 PRO A 8 2.501 22.459 -4.109 1.00 0.00 H new ATOM 0 HG3 PRO A 8 1.781 23.865 -3.351 1.00 0.00 H new ATOM 0 HD2 PRO A 8 4.158 24.016 -4.670 1.00 0.00 H new ATOM 0 HD3 PRO A 8 3.809 25.041 -3.292 1.00 0.00 H new ATOM 80 N ALA A 9 4.574 19.951 -1.384 1.00 0.00 N ATOM 81 CA ALA A 9 4.835 18.544 -1.662 1.00 0.00 C ATOM 82 C ALA A 9 3.576 17.840 -2.157 1.00 0.00 C ATOM 83 O ALA A 9 3.440 16.624 -2.024 1.00 0.00 O ATOM 84 CB ALA A 9 5.375 17.852 -0.420 1.00 0.00 C ATOM 0 H ALA A 9 4.339 20.152 -0.412 1.00 0.00 H new ATOM 0 HA ALA A 9 5.585 18.488 -2.451 1.00 0.00 H new ATOM 0 HB1 ALA A 9 5.565 16.802 -0.642 1.00 0.00 H new ATOM 0 HB2 ALA A 9 6.304 18.332 -0.111 1.00 0.00 H new ATOM 0 HB3 ALA A 9 4.643 17.926 0.385 1.00 0.00 H new ATOM 90 N ALA A 10 2.657 18.612 -2.728 1.00 0.00 N ATOM 91 CA ALA A 10 1.410 18.062 -3.244 1.00 0.00 C ATOM 92 C ALA A 10 1.655 16.759 -3.998 1.00 0.00 C ATOM 93 O ALA A 10 2.769 16.493 -4.448 1.00 0.00 O ATOM 94 CB ALA A 10 0.719 19.074 -4.146 1.00 0.00 C ATOM 0 H ALA A 10 2.753 19.621 -2.845 1.00 0.00 H new ATOM 0 HA ALA A 10 0.760 17.844 -2.396 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -0.211 18.649 -4.524 1.00 0.00 H new ATOM 0 HB2 ALA A 10 0.500 19.978 -3.578 1.00 0.00 H new ATOM 0 HB3 ALA A 10 1.372 19.321 -4.983 1.00 0.00 H new ATOM 100 N ILE A 11 0.608 15.952 -4.130 1.00 0.00 N ATOM 101 CA ILE A 11 0.711 14.678 -4.830 1.00 0.00 C ATOM 102 C ILE A 11 0.261 14.810 -6.281 1.00 0.00 C ATOM 103 O ILE A 11 -0.890 15.152 -6.556 1.00 0.00 O ATOM 104 CB ILE A 11 -0.131 13.587 -4.141 1.00 0.00 C ATOM 105 CG1 ILE A 11 0.254 13.473 -2.665 1.00 0.00 C ATOM 106 CG2 ILE A 11 0.052 12.252 -4.847 1.00 0.00 C ATOM 107 CD1 ILE A 11 -0.821 12.843 -1.807 1.00 0.00 C ATOM 0 H ILE A 11 -0.321 16.158 -3.762 1.00 0.00 H new ATOM 0 HA ILE A 11 1.761 14.387 -4.802 1.00 0.00 H new ATOM 0 HB ILE A 11 -1.183 13.866 -4.202 1.00 0.00 H new ATOM 0 HG12 ILE A 11 1.167 12.883 -2.580 1.00 0.00 H new ATOM 0 HG13 ILE A 11 0.480 14.467 -2.279 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -0.549 11.491 -4.349 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -0.266 12.343 -5.886 1.00 0.00 H new ATOM 0 HG23 ILE A 11 1.103 11.964 -4.813 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -0.479 12.794 -0.773 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -1.729 13.444 -1.861 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -1.031 11.836 -2.168 1.00 0.00 H new ATOM 119 N ILE A 12 1.175 14.534 -7.206 1.00 0.00 N ATOM 120 CA ILE A 12 0.871 14.619 -8.629 1.00 0.00 C ATOM 121 C ILE A 12 0.429 13.267 -9.178 1.00 0.00 C ATOM 122 O ILE A 12 -0.465 13.190 -10.021 1.00 0.00 O ATOM 123 CB ILE A 12 2.086 15.116 -9.435 1.00 0.00 C ATOM 124 CG1 ILE A 12 3.383 14.573 -8.831 1.00 0.00 C ATOM 125 CG2 ILE A 12 2.110 16.636 -9.475 1.00 0.00 C ATOM 126 CD1 ILE A 12 3.952 15.448 -7.736 1.00 0.00 C ATOM 0 H ILE A 12 2.132 14.250 -6.995 1.00 0.00 H new ATOM 0 HA ILE A 12 0.057 15.336 -8.736 1.00 0.00 H new ATOM 0 HB ILE A 12 2.001 14.747 -10.457 1.00 0.00 H new ATOM 0 HG12 ILE A 12 3.198 13.577 -8.430 1.00 0.00 H new ATOM 0 HG13 ILE A 12 4.125 14.465 -9.622 1.00 0.00 H new ATOM 0 HG21 ILE A 12 2.974 16.971 -10.048 1.00 0.00 H new ATOM 0 HG22 ILE A 12 1.198 17.002 -9.946 1.00 0.00 H new ATOM 0 HG23 ILE A 12 2.175 17.026 -8.459 1.00 0.00 H new ATOM 0 HD11 ILE A 12 4.870 15.002 -7.354 1.00 0.00 H new ATOM 0 HD12 ILE A 12 4.169 16.438 -8.137 1.00 0.00 H new ATOM 0 HD13 ILE A 12 3.227 15.535 -6.927 1.00 0.00 H new ATOM 138 N LYS A 13 1.059 12.203 -8.694 1.00 0.00 N ATOM 139 CA LYS A 13 0.729 10.852 -9.133 1.00 0.00 C ATOM 140 C LYS A 13 -0.075 10.115 -8.067 1.00 0.00 C ATOM 141 O LYS A 13 0.475 9.517 -7.142 1.00 0.00 O ATOM 142 CB LYS A 13 2.007 10.072 -9.453 1.00 0.00 C ATOM 143 CG LYS A 13 2.846 10.704 -10.550 1.00 0.00 C ATOM 144 CD LYS A 13 3.952 9.771 -11.014 1.00 0.00 C ATOM 145 CE LYS A 13 4.727 10.361 -12.182 1.00 0.00 C ATOM 146 NZ LYS A 13 4.056 10.093 -13.484 1.00 0.00 N ATOM 0 H LYS A 13 1.802 12.250 -7.997 1.00 0.00 H new ATOM 0 HA LYS A 13 0.121 10.928 -10.034 1.00 0.00 H new ATOM 0 HB2 LYS A 13 2.609 9.990 -8.548 1.00 0.00 H new ATOM 0 HB3 LYS A 13 1.739 9.058 -9.750 1.00 0.00 H new ATOM 0 HG2 LYS A 13 2.207 10.961 -11.395 1.00 0.00 H new ATOM 0 HG3 LYS A 13 3.282 11.634 -10.185 1.00 0.00 H new ATOM 0 HD2 LYS A 13 4.634 9.574 -10.187 1.00 0.00 H new ATOM 0 HD3 LYS A 13 3.522 8.814 -11.308 1.00 0.00 H new ATOM 0 HE2 LYS A 13 4.832 11.437 -12.042 1.00 0.00 H new ATOM 0 HE3 LYS A 13 5.733 9.942 -12.199 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 4.615 10.511 -14.255 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 3.979 9.066 -13.630 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 3.105 10.514 -13.478 1.00 0.00 H new ATOM 160 N PRO A 14 -1.409 10.155 -8.198 1.00 0.00 N ATOM 161 CA PRO A 14 -2.318 9.494 -7.257 1.00 0.00 C ATOM 162 C PRO A 14 -2.256 7.974 -7.361 1.00 0.00 C ATOM 163 O PRO A 14 -1.869 7.428 -8.395 1.00 0.00 O ATOM 164 CB PRO A 14 -3.698 10.003 -7.679 1.00 0.00 C ATOM 165 CG PRO A 14 -3.547 10.360 -9.117 1.00 0.00 C ATOM 166 CD PRO A 14 -2.134 10.849 -9.276 1.00 0.00 C ATOM 0 HA PRO A 14 -2.065 9.718 -6.221 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -4.462 9.238 -7.539 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -4.000 10.867 -7.086 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -3.735 9.497 -9.755 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -4.262 11.131 -9.405 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -1.730 10.599 -10.257 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -2.069 11.932 -9.171 1.00 0.00 H new ATOM 174 N LEU A 15 -2.639 7.296 -6.285 1.00 0.00 N ATOM 175 CA LEU A 15 -2.627 5.837 -6.256 1.00 0.00 C ATOM 176 C LEU A 15 -3.655 5.265 -7.228 1.00 0.00 C ATOM 177 O LEU A 15 -4.355 6.009 -7.914 1.00 0.00 O ATOM 178 CB LEU A 15 -2.912 5.334 -4.840 1.00 0.00 C ATOM 179 CG LEU A 15 -2.158 6.040 -3.713 1.00 0.00 C ATOM 180 CD1 LEU A 15 -2.935 5.943 -2.409 1.00 0.00 C ATOM 181 CD2 LEU A 15 -0.765 5.449 -3.551 1.00 0.00 C ATOM 0 H LEU A 15 -2.962 7.732 -5.421 1.00 0.00 H new ATOM 0 HA LEU A 15 -1.637 5.499 -6.563 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -3.981 5.429 -4.650 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -2.675 4.271 -4.799 1.00 0.00 H new ATOM 0 HG LEU A 15 -2.056 7.093 -3.974 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -2.383 6.451 -1.618 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -3.911 6.414 -2.531 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -3.069 4.895 -2.142 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -0.243 5.964 -2.744 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -0.845 4.388 -3.313 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -0.208 5.571 -4.480 1.00 0.00 H new ATOM 193 N GLU A 16 -3.740 3.940 -7.278 1.00 0.00 N ATOM 194 CA GLU A 16 -4.684 3.269 -8.164 1.00 0.00 C ATOM 195 C GLU A 16 -5.222 1.993 -7.521 1.00 0.00 C ATOM 196 O GLU A 16 -4.855 1.649 -6.398 1.00 0.00 O ATOM 197 CB GLU A 16 -4.015 2.936 -9.500 1.00 0.00 C ATOM 198 CG GLU A 16 -3.491 4.156 -10.239 1.00 0.00 C ATOM 199 CD GLU A 16 -3.144 3.859 -11.684 1.00 0.00 C ATOM 200 OE1 GLU A 16 -2.113 3.196 -11.922 1.00 0.00 O ATOM 201 OE2 GLU A 16 -3.904 4.288 -12.578 1.00 0.00 O ATOM 0 H GLU A 16 -3.167 3.310 -6.716 1.00 0.00 H new ATOM 0 HA GLU A 16 -5.520 3.946 -8.342 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -3.189 2.247 -9.322 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -4.732 2.416 -10.136 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -4.241 4.947 -10.205 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -2.606 4.534 -9.727 1.00 0.00 H new ATOM 208 N ASP A 17 -6.095 1.298 -8.242 1.00 0.00 N ATOM 209 CA ASP A 17 -6.684 0.061 -7.743 1.00 0.00 C ATOM 210 C ASP A 17 -5.766 -1.127 -8.016 1.00 0.00 C ATOM 211 O ASP A 17 -5.318 -1.330 -9.144 1.00 0.00 O ATOM 212 CB ASP A 17 -8.050 -0.176 -8.389 1.00 0.00 C ATOM 213 CG ASP A 17 -9.104 0.791 -7.885 1.00 0.00 C ATOM 214 OD1 ASP A 17 -8.834 2.010 -7.875 1.00 0.00 O ATOM 215 OD2 ASP A 17 -10.198 0.328 -7.500 1.00 0.00 O ATOM 0 H ASP A 17 -6.410 1.570 -9.173 1.00 0.00 H new ATOM 0 HA ASP A 17 -6.812 0.158 -6.665 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -7.959 -0.078 -9.471 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -8.372 -1.198 -8.187 1.00 0.00 H new ATOM 220 N GLN A 18 -5.491 -1.907 -6.976 1.00 0.00 N ATOM 221 CA GLN A 18 -4.625 -3.073 -7.104 1.00 0.00 C ATOM 222 C GLN A 18 -5.437 -4.363 -7.051 1.00 0.00 C ATOM 223 O GLN A 18 -6.370 -4.488 -6.257 1.00 0.00 O ATOM 224 CB GLN A 18 -3.570 -3.075 -5.996 1.00 0.00 C ATOM 225 CG GLN A 18 -2.294 -2.337 -6.370 1.00 0.00 C ATOM 226 CD GLN A 18 -2.489 -0.836 -6.442 1.00 0.00 C ATOM 227 OE1 GLN A 18 -3.512 -0.309 -6.004 1.00 0.00 O ATOM 228 NE2 GLN A 18 -1.504 -0.137 -6.996 1.00 0.00 N ATOM 0 H GLN A 18 -5.855 -1.753 -6.036 1.00 0.00 H new ATOM 0 HA GLN A 18 -4.126 -3.019 -8.072 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -3.994 -2.620 -5.101 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -3.323 -4.106 -5.743 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -1.519 -2.564 -5.638 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -1.938 -2.700 -7.334 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -0.674 -0.615 -7.346 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -1.578 0.878 -7.071 1.00 0.00 H new ATOM 237 N TRP A 19 -5.077 -5.318 -7.900 1.00 0.00 N ATOM 238 CA TRP A 19 -5.774 -6.599 -7.950 1.00 0.00 C ATOM 239 C TRP A 19 -4.804 -7.755 -7.732 1.00 0.00 C ATOM 240 O TRP A 19 -4.023 -8.098 -8.619 1.00 0.00 O ATOM 241 CB TRP A 19 -6.488 -6.762 -9.292 1.00 0.00 C ATOM 242 CG TRP A 19 -7.832 -6.101 -9.335 1.00 0.00 C ATOM 243 CD1 TRP A 19 -9.016 -6.621 -8.896 1.00 0.00 C ATOM 244 CD2 TRP A 19 -8.130 -4.797 -9.846 1.00 0.00 C ATOM 245 NE1 TRP A 19 -10.032 -5.720 -9.103 1.00 0.00 N ATOM 246 CE2 TRP A 19 -9.514 -4.592 -9.684 1.00 0.00 C ATOM 247 CE3 TRP A 19 -7.362 -3.782 -10.423 1.00 0.00 C ATOM 248 CZ2 TRP A 19 -10.143 -3.415 -10.080 1.00 0.00 C ATOM 249 CZ3 TRP A 19 -7.988 -2.614 -10.815 1.00 0.00 C ATOM 250 CH2 TRP A 19 -9.367 -2.438 -10.642 1.00 0.00 C ATOM 0 H TRP A 19 -4.307 -5.230 -8.563 1.00 0.00 H new ATOM 0 HA TRP A 19 -6.513 -6.614 -7.149 1.00 0.00 H new ATOM 0 HB2 TRP A 19 -5.862 -6.346 -10.081 1.00 0.00 H new ATOM 0 HB3 TRP A 19 -6.607 -7.824 -9.505 1.00 0.00 H new ATOM 0 HD1 TRP A 19 -9.136 -7.598 -8.451 1.00 0.00 H new ATOM 0 HE1 TRP A 19 -11.013 -5.867 -8.863 1.00 0.00 H new ATOM 0 HE3 TRP A 19 -6.298 -3.908 -10.560 1.00 0.00 H new ATOM 0 HZ2 TRP A 19 -11.206 -3.278 -9.948 1.00 0.00 H new ATOM 0 HZ3 TRP A 19 -7.404 -1.823 -11.262 1.00 0.00 H new ATOM 0 HH2 TRP A 19 -9.827 -1.513 -10.958 1.00 0.00 H new ATOM 261 N VAL A 20 -4.858 -8.352 -6.545 1.00 0.00 N ATOM 262 CA VAL A 20 -3.985 -9.470 -6.211 1.00 0.00 C ATOM 263 C VAL A 20 -4.775 -10.620 -5.596 1.00 0.00 C ATOM 264 O VAL A 20 -6.002 -10.571 -5.518 1.00 0.00 O ATOM 265 CB VAL A 20 -2.875 -9.043 -5.233 1.00 0.00 C ATOM 266 CG1 VAL A 20 -2.038 -7.923 -5.830 1.00 0.00 C ATOM 267 CG2 VAL A 20 -3.474 -8.620 -3.900 1.00 0.00 C ATOM 0 H VAL A 20 -5.498 -8.079 -5.799 1.00 0.00 H new ATOM 0 HA VAL A 20 -3.529 -9.804 -7.143 1.00 0.00 H new ATOM 0 HB VAL A 20 -2.221 -9.897 -5.057 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -1.259 -7.635 -5.124 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -1.579 -8.266 -6.757 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -2.675 -7.063 -6.038 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -2.676 -8.321 -3.221 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -4.151 -7.780 -4.056 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -4.025 -9.455 -3.467 1.00 0.00 H new ATOM 277 N ALA A 21 -4.063 -11.654 -5.161 1.00 0.00 N ATOM 278 CA ALA A 21 -4.697 -12.816 -4.550 1.00 0.00 C ATOM 279 C ALA A 21 -4.528 -12.800 -3.035 1.00 0.00 C ATOM 280 O ALA A 21 -3.638 -12.146 -2.492 1.00 0.00 O ATOM 281 CB ALA A 21 -4.124 -14.098 -5.135 1.00 0.00 C ATOM 0 H ALA A 21 -3.046 -11.711 -5.220 1.00 0.00 H new ATOM 0 HA ALA A 21 -5.764 -12.775 -4.770 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -4.606 -14.958 -4.670 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -4.303 -14.119 -6.210 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -3.051 -14.137 -4.945 1.00 0.00 H new ATOM 287 N PRO A 22 -5.402 -13.537 -2.334 1.00 0.00 N ATOM 288 CA PRO A 22 -5.369 -13.625 -0.871 1.00 0.00 C ATOM 289 C PRO A 22 -4.158 -14.400 -0.363 1.00 0.00 C ATOM 290 O PRO A 22 -4.232 -15.607 -0.138 1.00 0.00 O ATOM 291 CB PRO A 22 -6.662 -14.370 -0.531 1.00 0.00 C ATOM 292 CG PRO A 22 -6.974 -15.164 -1.752 1.00 0.00 C ATOM 293 CD PRO A 22 -6.489 -14.343 -2.915 1.00 0.00 C ATOM 0 HA PRO A 22 -5.292 -12.642 -0.406 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -6.530 -15.015 0.338 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -7.468 -13.676 -0.293 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -6.477 -16.134 -1.725 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -8.044 -15.357 -1.829 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -6.131 -14.972 -3.730 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -7.282 -13.715 -3.322 1.00 0.00 H new ATOM 301 N GLY A 23 -3.043 -13.697 -0.185 1.00 0.00 N ATOM 302 CA GLY A 23 -1.832 -14.337 0.295 1.00 0.00 C ATOM 303 C GLY A 23 -0.577 -13.684 -0.249 1.00 0.00 C ATOM 304 O GLY A 23 0.525 -13.953 0.227 1.00 0.00 O ATOM 0 H GLY A 23 -2.957 -12.697 -0.365 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -1.813 -14.302 1.384 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -1.843 -15.389 0.010 1.00 0.00 H new ATOM 308 N GLU A 24 -0.745 -12.826 -1.250 1.00 0.00 N ATOM 309 CA GLU A 24 0.385 -12.136 -1.861 1.00 0.00 C ATOM 310 C GLU A 24 0.596 -10.766 -1.223 1.00 0.00 C ATOM 311 O GLU A 24 -0.231 -10.301 -0.438 1.00 0.00 O ATOM 312 CB GLU A 24 0.163 -11.980 -3.367 1.00 0.00 C ATOM 313 CG GLU A 24 -0.410 -13.222 -4.030 1.00 0.00 C ATOM 314 CD GLU A 24 -0.054 -13.315 -5.500 1.00 0.00 C ATOM 315 OE1 GLU A 24 -0.325 -12.345 -6.239 1.00 0.00 O ATOM 316 OE2 GLU A 24 0.496 -14.358 -5.913 1.00 0.00 O ATOM 0 H GLU A 24 -1.652 -12.592 -1.655 1.00 0.00 H new ATOM 0 HA GLU A 24 1.278 -12.738 -1.693 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -0.511 -11.142 -3.541 1.00 0.00 H new ATOM 0 HB3 GLU A 24 1.112 -11.730 -3.842 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -0.041 -14.108 -3.514 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -1.495 -13.219 -3.922 1.00 0.00 H new ATOM 323 N ASP A 25 1.709 -10.126 -1.564 1.00 0.00 N ATOM 324 CA ASP A 25 2.029 -8.809 -1.026 1.00 0.00 C ATOM 325 C ASP A 25 1.616 -7.709 -1.998 1.00 0.00 C ATOM 326 O ASP A 25 1.602 -7.912 -3.212 1.00 0.00 O ATOM 327 CB ASP A 25 3.526 -8.707 -0.727 1.00 0.00 C ATOM 328 CG ASP A 25 4.052 -7.294 -0.880 1.00 0.00 C ATOM 329 OD1 ASP A 25 3.438 -6.367 -0.311 1.00 0.00 O ATOM 330 OD2 ASP A 25 5.079 -7.114 -1.567 1.00 0.00 O ATOM 0 H ASP A 25 2.405 -10.498 -2.211 1.00 0.00 H new ATOM 0 HA ASP A 25 1.471 -8.677 -0.099 1.00 0.00 H new ATOM 0 HB2 ASP A 25 3.715 -9.054 0.289 1.00 0.00 H new ATOM 0 HB3 ASP A 25 4.073 -9.370 -1.397 1.00 0.00 H new ATOM 335 N VAL A 26 1.279 -6.543 -1.456 1.00 0.00 N ATOM 336 CA VAL A 26 0.865 -5.410 -2.275 1.00 0.00 C ATOM 337 C VAL A 26 1.714 -4.179 -1.980 1.00 0.00 C ATOM 338 O VAL A 26 2.075 -3.923 -0.832 1.00 0.00 O ATOM 339 CB VAL A 26 -0.618 -5.064 -2.046 1.00 0.00 C ATOM 340 CG1 VAL A 26 -1.002 -3.815 -2.825 1.00 0.00 C ATOM 341 CG2 VAL A 26 -1.505 -6.237 -2.434 1.00 0.00 C ATOM 0 H VAL A 26 1.285 -6.358 -0.453 1.00 0.00 H new ATOM 0 HA VAL A 26 1.005 -5.704 -3.315 1.00 0.00 H new ATOM 0 HB VAL A 26 -0.766 -4.861 -0.985 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -2.053 -3.586 -2.651 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -0.389 -2.977 -2.494 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -0.839 -3.986 -3.889 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -2.549 -5.975 -2.266 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -1.356 -6.473 -3.488 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -1.247 -7.105 -1.827 1.00 0.00 H new ATOM 351 N GLU A 27 2.030 -3.420 -3.024 1.00 0.00 N ATOM 352 CA GLU A 27 2.838 -2.215 -2.876 1.00 0.00 C ATOM 353 C GLU A 27 2.169 -1.024 -3.558 1.00 0.00 C ATOM 354 O GLU A 27 1.807 -1.090 -4.733 1.00 0.00 O ATOM 355 CB GLU A 27 4.234 -2.435 -3.463 1.00 0.00 C ATOM 356 CG GLU A 27 4.959 -3.634 -2.876 1.00 0.00 C ATOM 357 CD GLU A 27 6.207 -4.000 -3.655 1.00 0.00 C ATOM 358 OE1 GLU A 27 6.160 -3.961 -4.902 1.00 0.00 O ATOM 359 OE2 GLU A 27 7.231 -4.325 -3.018 1.00 0.00 O ATOM 0 H GLU A 27 1.739 -3.618 -3.981 1.00 0.00 H new ATOM 0 HA GLU A 27 2.929 -1.998 -1.812 1.00 0.00 H new ATOM 0 HB2 GLU A 27 4.149 -2.565 -4.542 1.00 0.00 H new ATOM 0 HB3 GLU A 27 4.834 -1.541 -3.296 1.00 0.00 H new ATOM 0 HG2 GLU A 27 5.230 -3.419 -1.842 1.00 0.00 H new ATOM 0 HG3 GLU A 27 4.283 -4.489 -2.857 1.00 0.00 H new ATOM 366 N LEU A 28 2.009 0.063 -2.812 1.00 0.00 N ATOM 367 CA LEU A 28 1.383 1.269 -3.343 1.00 0.00 C ATOM 368 C LEU A 28 2.359 2.442 -3.325 1.00 0.00 C ATOM 369 O LEU A 28 2.635 3.016 -2.272 1.00 0.00 O ATOM 370 CB LEU A 28 0.134 1.619 -2.532 1.00 0.00 C ATOM 371 CG LEU A 28 -0.889 0.496 -2.359 1.00 0.00 C ATOM 372 CD1 LEU A 28 -1.658 0.671 -1.058 1.00 0.00 C ATOM 373 CD2 LEU A 28 -1.844 0.456 -3.543 1.00 0.00 C ATOM 0 H LEU A 28 2.304 0.134 -1.838 1.00 0.00 H new ATOM 0 HA LEU A 28 1.095 1.074 -4.376 1.00 0.00 H new ATOM 0 HB2 LEU A 28 0.449 1.952 -1.543 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -0.361 2.464 -3.011 1.00 0.00 H new ATOM 0 HG LEU A 28 -0.354 -0.453 -2.317 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -2.382 -0.137 -0.952 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -0.963 0.649 -0.219 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -2.181 1.627 -1.070 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -2.565 -0.349 -3.402 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -2.372 1.407 -3.617 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -1.280 0.282 -4.460 1.00 0.00 H new ATOM 385 N ARG A 29 2.876 2.792 -4.498 1.00 0.00 N ATOM 386 CA ARG A 29 3.820 3.897 -4.617 1.00 0.00 C ATOM 387 C ARG A 29 3.122 5.157 -5.119 1.00 0.00 C ATOM 388 O ARG A 29 2.149 5.082 -5.870 1.00 0.00 O ATOM 389 CB ARG A 29 4.960 3.521 -5.565 1.00 0.00 C ATOM 390 CG ARG A 29 5.635 2.205 -5.215 1.00 0.00 C ATOM 391 CD ARG A 29 6.411 1.645 -6.397 1.00 0.00 C ATOM 392 NE ARG A 29 5.526 1.125 -7.436 1.00 0.00 N ATOM 393 CZ ARG A 29 5.917 0.271 -8.375 1.00 0.00 C ATOM 394 NH1 ARG A 29 7.172 -0.158 -8.405 1.00 0.00 N ATOM 395 NH2 ARG A 29 5.053 -0.157 -9.287 1.00 0.00 N ATOM 0 H ARG A 29 2.657 2.327 -5.379 1.00 0.00 H new ATOM 0 HA ARG A 29 4.230 4.100 -3.628 1.00 0.00 H new ATOM 0 HB2 ARG A 29 4.571 3.461 -6.581 1.00 0.00 H new ATOM 0 HB3 ARG A 29 5.706 4.316 -5.556 1.00 0.00 H new ATOM 0 HG2 ARG A 29 6.311 2.354 -4.373 1.00 0.00 H new ATOM 0 HG3 ARG A 29 4.883 1.483 -4.897 1.00 0.00 H new ATOM 0 HD2 ARG A 29 7.044 2.426 -6.818 1.00 0.00 H new ATOM 0 HD3 ARG A 29 7.072 0.850 -6.053 1.00 0.00 H new ATOM 0 HE ARG A 29 4.554 1.435 -7.441 1.00 0.00 H new ATOM 0 HH11 ARG A 29 7.839 0.168 -7.706 1.00 0.00 H new ATOM 0 HH12 ARG A 29 7.470 -0.814 -9.127 1.00 0.00 H new ATOM 0 HH21 ARG A 29 4.087 0.170 -9.267 1.00 0.00 H new ATOM 0 HH22 ARG A 29 5.355 -0.813 -10.007 1.00 0.00 H new ATOM 409 N CYS A 30 3.624 6.313 -4.698 1.00 0.00 N ATOM 410 CA CYS A 30 3.048 7.590 -5.103 1.00 0.00 C ATOM 411 C CYS A 30 4.139 8.570 -5.522 1.00 0.00 C ATOM 412 O CYS A 30 5.316 8.217 -5.576 1.00 0.00 O ATOM 413 CB CYS A 30 2.221 8.185 -3.963 1.00 0.00 C ATOM 414 SG CYS A 30 3.187 9.142 -2.772 1.00 0.00 S ATOM 0 H CYS A 30 4.429 6.392 -4.076 1.00 0.00 H new ATOM 0 HA CYS A 30 2.397 7.412 -5.959 1.00 0.00 H new ATOM 0 HB2 CYS A 30 1.447 8.826 -4.386 1.00 0.00 H new ATOM 0 HB3 CYS A 30 1.713 7.377 -3.437 1.00 0.00 H new ATOM 0 HG CYS A 30 2.400 9.606 -1.847 1.00 0.00 H new ATOM 420 N GLU A 31 3.738 9.803 -5.818 1.00 0.00 N ATOM 421 CA GLU A 31 4.682 10.833 -6.234 1.00 0.00 C ATOM 422 C GLU A 31 4.364 12.166 -5.562 1.00 0.00 C ATOM 423 O GLU A 31 3.208 12.588 -5.511 1.00 0.00 O ATOM 424 CB GLU A 31 4.654 10.997 -7.755 1.00 0.00 C ATOM 425 CG GLU A 31 5.886 11.689 -8.315 1.00 0.00 C ATOM 426 CD GLU A 31 6.997 10.716 -8.657 1.00 0.00 C ATOM 427 OE1 GLU A 31 6.692 9.641 -9.216 1.00 0.00 O ATOM 428 OE2 GLU A 31 8.170 11.028 -8.367 1.00 0.00 O ATOM 0 H GLU A 31 2.767 10.112 -5.777 1.00 0.00 H new ATOM 0 HA GLU A 31 5.680 10.520 -5.928 1.00 0.00 H new ATOM 0 HB2 GLU A 31 4.558 10.014 -8.216 1.00 0.00 H new ATOM 0 HB3 GLU A 31 3.768 11.568 -8.034 1.00 0.00 H new ATOM 0 HG2 GLU A 31 5.609 12.248 -9.209 1.00 0.00 H new ATOM 0 HG3 GLU A 31 6.253 12.413 -7.588 1.00 0.00 H new ATOM 435 N LEU A 32 5.397 12.823 -5.047 1.00 0.00 N ATOM 436 CA LEU A 32 5.229 14.108 -4.376 1.00 0.00 C ATOM 437 C LEU A 32 6.056 15.191 -5.062 1.00 0.00 C ATOM 438 O LEU A 32 7.232 14.991 -5.363 1.00 0.00 O ATOM 439 CB LEU A 32 5.634 13.995 -2.906 1.00 0.00 C ATOM 440 CG LEU A 32 5.215 12.710 -2.191 1.00 0.00 C ATOM 441 CD1 LEU A 32 6.106 12.455 -0.985 1.00 0.00 C ATOM 442 CD2 LEU A 32 3.754 12.785 -1.770 1.00 0.00 C ATOM 0 H LEU A 32 6.360 12.488 -5.081 1.00 0.00 H new ATOM 0 HA LEU A 32 4.177 14.387 -4.435 1.00 0.00 H new ATOM 0 HB2 LEU A 32 6.718 14.086 -2.841 1.00 0.00 H new ATOM 0 HB3 LEU A 32 5.210 14.842 -2.367 1.00 0.00 H new ATOM 0 HG LEU A 32 5.330 11.877 -2.885 1.00 0.00 H new ATOM 0 HD11 LEU A 32 5.793 11.536 -0.489 1.00 0.00 H new ATOM 0 HD12 LEU A 32 7.141 12.356 -1.312 1.00 0.00 H new ATOM 0 HD13 LEU A 32 6.024 13.290 -0.289 1.00 0.00 H new ATOM 0 HD21 LEU A 32 3.474 11.862 -1.263 1.00 0.00 H new ATOM 0 HD22 LEU A 32 3.613 13.628 -1.093 1.00 0.00 H new ATOM 0 HD23 LEU A 32 3.128 12.919 -2.652 1.00 0.00 H new ATOM 454 N SER A 33 5.433 16.341 -5.302 1.00 0.00 N ATOM 455 CA SER A 33 6.110 17.456 -5.953 1.00 0.00 C ATOM 456 C SER A 33 7.481 17.697 -5.329 1.00 0.00 C ATOM 457 O SER A 33 8.438 18.045 -6.021 1.00 0.00 O ATOM 458 CB SER A 33 5.261 18.724 -5.853 1.00 0.00 C ATOM 459 OG SER A 33 5.995 19.863 -6.268 1.00 0.00 O ATOM 0 H SER A 33 4.460 16.524 -5.055 1.00 0.00 H new ATOM 0 HA SER A 33 6.248 17.202 -7.004 1.00 0.00 H new ATOM 0 HB2 SER A 33 4.369 18.618 -6.470 1.00 0.00 H new ATOM 0 HB3 SER A 33 4.924 18.859 -4.825 1.00 0.00 H new ATOM 0 HG SER A 33 5.967 20.544 -5.564 1.00 0.00 H new ATOM 465 N ARG A 34 7.568 17.510 -4.016 1.00 0.00 N ATOM 466 CA ARG A 34 8.821 17.709 -3.297 1.00 0.00 C ATOM 467 C ARG A 34 9.020 16.624 -2.243 1.00 0.00 C ATOM 468 O ARG A 34 8.059 16.138 -1.647 1.00 0.00 O ATOM 469 CB ARG A 34 8.840 19.088 -2.635 1.00 0.00 C ATOM 470 CG ARG A 34 8.362 19.077 -1.192 1.00 0.00 C ATOM 471 CD ARG A 34 7.737 20.408 -0.803 1.00 0.00 C ATOM 472 NE ARG A 34 7.621 20.556 0.645 1.00 0.00 N ATOM 473 CZ ARG A 34 7.425 21.721 1.252 1.00 0.00 C ATOM 474 NH1 ARG A 34 7.323 22.835 0.539 1.00 0.00 N ATOM 475 NH2 ARG A 34 7.330 21.774 2.574 1.00 0.00 N ATOM 0 H ARG A 34 6.786 17.221 -3.428 1.00 0.00 H new ATOM 0 HA ARG A 34 9.638 17.648 -4.016 1.00 0.00 H new ATOM 0 HB2 ARG A 34 9.855 19.485 -2.670 1.00 0.00 H new ATOM 0 HB3 ARG A 34 8.212 19.767 -3.212 1.00 0.00 H new ATOM 0 HG2 ARG A 34 7.634 18.278 -1.055 1.00 0.00 H new ATOM 0 HG3 ARG A 34 9.201 18.861 -0.531 1.00 0.00 H new ATOM 0 HD2 ARG A 34 8.341 21.223 -1.203 1.00 0.00 H new ATOM 0 HD3 ARG A 34 6.749 20.491 -1.256 1.00 0.00 H new ATOM 0 HE ARG A 34 7.695 19.718 1.222 1.00 0.00 H new ATOM 0 HH11 ARG A 34 7.395 22.798 -0.478 1.00 0.00 H new ATOM 0 HH12 ARG A 34 7.172 23.728 1.008 1.00 0.00 H new ATOM 0 HH21 ARG A 34 7.407 20.919 3.126 1.00 0.00 H new ATOM 0 HH22 ARG A 34 7.179 22.669 3.039 1.00 0.00 H new ATOM 489 N ALA A 35 10.275 16.248 -2.018 1.00 0.00 N ATOM 490 CA ALA A 35 10.601 15.222 -1.036 1.00 0.00 C ATOM 491 C ALA A 35 10.762 15.825 0.356 1.00 0.00 C ATOM 492 O ALA A 35 11.645 15.430 1.116 1.00 0.00 O ATOM 493 CB ALA A 35 11.868 14.484 -1.443 1.00 0.00 C ATOM 0 H ALA A 35 11.083 16.639 -2.503 1.00 0.00 H new ATOM 0 HA ALA A 35 9.775 14.512 -1.003 1.00 0.00 H new ATOM 0 HB1 ALA A 35 12.099 13.721 -0.700 1.00 0.00 H new ATOM 0 HB2 ALA A 35 11.718 14.012 -2.414 1.00 0.00 H new ATOM 0 HB3 ALA A 35 12.696 15.190 -1.507 1.00 0.00 H new ATOM 499 N GLY A 36 9.904 16.787 0.682 1.00 0.00 N ATOM 500 CA GLY A 36 9.969 17.430 1.981 1.00 0.00 C ATOM 501 C GLY A 36 8.612 17.522 2.651 1.00 0.00 C ATOM 502 O GLY A 36 8.171 18.607 3.030 1.00 0.00 O ATOM 0 H GLY A 36 9.165 17.132 0.069 1.00 0.00 H new ATOM 0 HA2 GLY A 36 10.651 16.874 2.624 1.00 0.00 H new ATOM 0 HA3 GLY A 36 10.383 18.432 1.867 1.00 0.00 H new ATOM 506 N THR A 37 7.947 16.380 2.797 1.00 0.00 N ATOM 507 CA THR A 37 6.631 16.337 3.422 1.00 0.00 C ATOM 508 C THR A 37 6.223 14.904 3.745 1.00 0.00 C ATOM 509 O THR A 37 6.327 14.002 2.914 1.00 0.00 O ATOM 510 CB THR A 37 5.558 16.974 2.519 1.00 0.00 C ATOM 511 OG1 THR A 37 5.830 18.369 2.344 1.00 0.00 O ATOM 512 CG2 THR A 37 4.171 16.793 3.117 1.00 0.00 C ATOM 0 H THR A 37 8.298 15.473 2.491 1.00 0.00 H new ATOM 0 HA THR A 37 6.702 16.909 4.347 1.00 0.00 H new ATOM 0 HB THR A 37 5.586 16.475 1.550 1.00 0.00 H new ATOM 0 HG1 THR A 37 6.445 18.673 3.044 1.00 0.00 H new ATOM 0 HG21 THR A 37 3.430 17.251 2.462 1.00 0.00 H new ATOM 0 HG22 THR A 37 3.956 15.730 3.221 1.00 0.00 H new ATOM 0 HG23 THR A 37 4.132 17.269 4.097 1.00 0.00 H new ATOM 520 N PRO A 38 5.746 14.688 4.980 1.00 0.00 N ATOM 521 CA PRO A 38 5.311 13.366 5.440 1.00 0.00 C ATOM 522 C PRO A 38 4.026 12.908 4.757 1.00 0.00 C ATOM 523 O PRO A 38 3.344 13.697 4.102 1.00 0.00 O ATOM 524 CB PRO A 38 5.076 13.571 6.938 1.00 0.00 C ATOM 525 CG PRO A 38 4.781 15.024 7.080 1.00 0.00 C ATOM 526 CD PRO A 38 5.594 15.717 6.022 1.00 0.00 C ATOM 0 HA PRO A 38 6.045 12.593 5.212 1.00 0.00 H new ATOM 0 HB2 PRO A 38 4.246 12.962 7.295 1.00 0.00 H new ATOM 0 HB3 PRO A 38 5.953 13.287 7.519 1.00 0.00 H new ATOM 0 HG2 PRO A 38 3.717 15.221 6.946 1.00 0.00 H new ATOM 0 HG3 PRO A 38 5.049 15.381 8.074 1.00 0.00 H new ATOM 0 HD2 PRO A 38 5.086 16.603 5.641 1.00 0.00 H new ATOM 0 HD3 PRO A 38 6.560 16.044 6.407 1.00 0.00 H new ATOM 534 N VAL A 39 3.701 11.629 4.915 1.00 0.00 N ATOM 535 CA VAL A 39 2.496 11.067 4.315 1.00 0.00 C ATOM 536 C VAL A 39 1.607 10.420 5.371 1.00 0.00 C ATOM 537 O VAL A 39 2.086 9.977 6.416 1.00 0.00 O ATOM 538 CB VAL A 39 2.841 10.020 3.239 1.00 0.00 C ATOM 539 CG1 VAL A 39 3.133 8.672 3.880 1.00 0.00 C ATOM 540 CG2 VAL A 39 1.712 9.906 2.227 1.00 0.00 C ATOM 0 H VAL A 39 4.255 10.962 5.453 1.00 0.00 H new ATOM 0 HA VAL A 39 1.959 11.893 3.849 1.00 0.00 H new ATOM 0 HB VAL A 39 3.738 10.346 2.713 1.00 0.00 H new ATOM 0 HG11 VAL A 39 3.375 7.945 3.105 1.00 0.00 H new ATOM 0 HG12 VAL A 39 3.977 8.769 4.562 1.00 0.00 H new ATOM 0 HG13 VAL A 39 2.256 8.335 4.433 1.00 0.00 H new ATOM 0 HG21 VAL A 39 1.972 9.162 1.474 1.00 0.00 H new ATOM 0 HG22 VAL A 39 0.797 9.603 2.736 1.00 0.00 H new ATOM 0 HG23 VAL A 39 1.557 10.871 1.745 1.00 0.00 H new ATOM 550 N HIS A 40 0.308 10.369 5.092 1.00 0.00 N ATOM 551 CA HIS A 40 -0.650 9.774 6.018 1.00 0.00 C ATOM 552 C HIS A 40 -1.394 8.616 5.361 1.00 0.00 C ATOM 553 O HIS A 40 -2.213 8.821 4.465 1.00 0.00 O ATOM 554 CB HIS A 40 -1.647 10.829 6.500 1.00 0.00 C ATOM 555 CG HIS A 40 -2.130 10.601 7.899 1.00 0.00 C ATOM 556 ND1 HIS A 40 -3.259 11.204 8.413 1.00 0.00 N ATOM 557 CD2 HIS A 40 -1.632 9.829 8.893 1.00 0.00 C ATOM 558 CE1 HIS A 40 -3.433 10.814 9.663 1.00 0.00 C ATOM 559 NE2 HIS A 40 -2.460 9.979 9.978 1.00 0.00 N ATOM 0 H HIS A 40 -0.105 10.732 4.233 1.00 0.00 H new ATOM 0 HA HIS A 40 -0.098 9.388 6.875 1.00 0.00 H new ATOM 0 HB2 HIS A 40 -1.180 11.812 6.441 1.00 0.00 H new ATOM 0 HB3 HIS A 40 -2.504 10.842 5.826 1.00 0.00 H new ATOM 0 HD2 HIS A 40 -0.748 9.210 8.842 1.00 0.00 H new ATOM 0 HE1 HIS A 40 -4.235 11.125 10.316 1.00 0.00 H new ATOM 0 HE2 HIS A 40 -2.342 9.520 10.881 1.00 0.00 H new ATOM 568 N TRP A 41 -1.102 7.401 5.810 1.00 0.00 N ATOM 569 CA TRP A 41 -1.744 6.210 5.265 1.00 0.00 C ATOM 570 C TRP A 41 -3.003 5.861 6.051 1.00 0.00 C ATOM 571 O TRP A 41 -2.931 5.477 7.219 1.00 0.00 O ATOM 572 CB TRP A 41 -0.772 5.029 5.284 1.00 0.00 C ATOM 573 CG TRP A 41 0.386 5.198 4.348 1.00 0.00 C ATOM 574 CD1 TRP A 41 1.609 5.730 4.644 1.00 0.00 C ATOM 575 CD2 TRP A 41 0.430 4.834 2.964 1.00 0.00 C ATOM 576 NE1 TRP A 41 2.409 5.720 3.528 1.00 0.00 N ATOM 577 CE2 TRP A 41 1.710 5.174 2.484 1.00 0.00 C ATOM 578 CE3 TRP A 41 -0.486 4.252 2.084 1.00 0.00 C ATOM 579 CZ2 TRP A 41 2.093 4.951 1.164 1.00 0.00 C ATOM 580 CZ3 TRP A 41 -0.104 4.032 0.774 1.00 0.00 C ATOM 581 CH2 TRP A 41 1.176 4.380 0.324 1.00 0.00 C ATOM 0 H TRP A 41 -0.425 7.214 6.550 1.00 0.00 H new ATOM 0 HA TRP A 41 -2.030 6.421 4.234 1.00 0.00 H new ATOM 0 HB2 TRP A 41 -0.394 4.895 6.298 1.00 0.00 H new ATOM 0 HB3 TRP A 41 -1.312 4.119 5.022 1.00 0.00 H new ATOM 0 HD1 TRP A 41 1.903 6.104 5.614 1.00 0.00 H new ATOM 0 HE1 TRP A 41 3.368 6.063 3.484 1.00 0.00 H new ATOM 0 HE3 TRP A 41 -1.475 3.979 2.421 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 3.079 5.219 0.815 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 -0.805 3.584 0.085 1.00 0.00 H new ATOM 0 HH2 TRP A 41 1.444 4.194 -0.706 1.00 0.00 H new ATOM 592 N LEU A 42 -4.155 5.997 5.404 1.00 0.00 N ATOM 593 CA LEU A 42 -5.431 5.696 6.044 1.00 0.00 C ATOM 594 C LEU A 42 -6.131 4.536 5.342 1.00 0.00 C ATOM 595 O LEU A 42 -6.536 4.649 4.185 1.00 0.00 O ATOM 596 CB LEU A 42 -6.333 6.931 6.035 1.00 0.00 C ATOM 597 CG LEU A 42 -5.753 8.190 6.679 1.00 0.00 C ATOM 598 CD1 LEU A 42 -6.294 9.437 5.997 1.00 0.00 C ATOM 599 CD2 LEU A 42 -6.063 8.218 8.169 1.00 0.00 C ATOM 0 H LEU A 42 -4.232 6.313 4.437 1.00 0.00 H new ATOM 0 HA LEU A 42 -5.233 5.407 7.076 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -6.590 7.161 5.001 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -7.263 6.681 6.546 1.00 0.00 H new ATOM 0 HG LEU A 42 -4.670 8.173 6.553 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -5.870 10.323 6.469 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -6.021 9.422 4.942 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -7.380 9.461 6.090 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -5.643 9.121 8.611 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -7.143 8.211 8.316 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -5.626 7.342 8.648 1.00 0.00 H new ATOM 611 N LYS A 43 -6.272 3.421 6.051 1.00 0.00 N ATOM 612 CA LYS A 43 -6.926 2.240 5.499 1.00 0.00 C ATOM 613 C LYS A 43 -8.338 2.091 6.056 1.00 0.00 C ATOM 614 O LYS A 43 -8.522 1.706 7.211 1.00 0.00 O ATOM 615 CB LYS A 43 -6.107 0.986 5.812 1.00 0.00 C ATOM 616 CG LYS A 43 -6.386 -0.173 4.870 1.00 0.00 C ATOM 617 CD LYS A 43 -7.517 -1.049 5.383 1.00 0.00 C ATOM 618 CE LYS A 43 -7.347 -2.494 4.941 1.00 0.00 C ATOM 619 NZ LYS A 43 -6.362 -3.221 5.788 1.00 0.00 N ATOM 0 H LYS A 43 -5.942 3.310 7.010 1.00 0.00 H new ATOM 0 HA LYS A 43 -6.992 2.363 4.418 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -5.047 1.234 5.766 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -6.316 0.671 6.834 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -6.642 0.213 3.883 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -5.484 -0.773 4.753 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -7.550 -1.002 6.471 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -8.470 -0.665 5.018 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -8.310 -3.003 4.986 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -7.021 -2.520 3.901 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -6.626 -4.226 5.843 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -5.414 -3.134 5.370 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -6.357 -2.812 6.744 1.00 0.00 H new ATOM 633 N ASP A 44 -9.331 2.395 5.228 1.00 0.00 N ATOM 634 CA ASP A 44 -10.727 2.292 5.637 1.00 0.00 C ATOM 635 C ASP A 44 -11.006 3.178 6.847 1.00 0.00 C ATOM 636 O ASP A 44 -11.574 2.727 7.841 1.00 0.00 O ATOM 637 CB ASP A 44 -11.079 0.839 5.961 1.00 0.00 C ATOM 638 CG ASP A 44 -12.535 0.521 5.685 1.00 0.00 C ATOM 639 OD1 ASP A 44 -13.354 1.464 5.657 1.00 0.00 O ATOM 640 OD2 ASP A 44 -12.856 -0.671 5.495 1.00 0.00 O ATOM 0 H ASP A 44 -9.195 2.715 4.269 1.00 0.00 H new ATOM 0 HA ASP A 44 -11.349 2.633 4.809 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -10.447 0.175 5.371 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -10.859 0.640 7.010 1.00 0.00 H new ATOM 645 N ARG A 45 -10.601 4.440 6.755 1.00 0.00 N ATOM 646 CA ARG A 45 -10.805 5.389 7.843 1.00 0.00 C ATOM 647 C ARG A 45 -10.095 4.924 9.111 1.00 0.00 C ATOM 648 O ARG A 45 -10.641 5.016 10.211 1.00 0.00 O ATOM 649 CB ARG A 45 -12.299 5.568 8.119 1.00 0.00 C ATOM 650 CG ARG A 45 -13.114 5.884 6.875 1.00 0.00 C ATOM 651 CD ARG A 45 -13.198 7.382 6.629 1.00 0.00 C ATOM 652 NE ARG A 45 -13.835 7.692 5.352 1.00 0.00 N ATOM 653 CZ ARG A 45 -15.151 7.748 5.182 1.00 0.00 C ATOM 654 NH1 ARG A 45 -15.965 7.517 6.202 1.00 0.00 N ATOM 655 NH2 ARG A 45 -15.655 8.037 3.989 1.00 0.00 N ATOM 0 H ARG A 45 -10.130 4.829 5.938 1.00 0.00 H new ATOM 0 HA ARG A 45 -10.381 6.346 7.540 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -12.687 4.658 8.576 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -12.432 6.371 8.844 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -12.663 5.397 6.010 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -14.119 5.475 6.983 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -13.759 7.851 7.437 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -12.195 7.809 6.647 1.00 0.00 H new ATOM 0 HE ARG A 45 -13.237 7.876 4.547 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -15.581 7.295 7.121 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -16.975 7.561 6.068 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -15.032 8.216 3.202 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -16.666 8.080 3.859 1.00 0.00 H new ATOM 669 N LYS A 46 -8.875 4.423 8.950 1.00 0.00 N ATOM 670 CA LYS A 46 -8.089 3.943 10.080 1.00 0.00 C ATOM 671 C LYS A 46 -6.602 4.203 9.858 1.00 0.00 C ATOM 672 O LYS A 46 -5.990 3.631 8.956 1.00 0.00 O ATOM 673 CB LYS A 46 -8.329 2.447 10.296 1.00 0.00 C ATOM 674 CG LYS A 46 -9.754 2.112 10.701 1.00 0.00 C ATOM 675 CD LYS A 46 -10.046 0.630 10.539 1.00 0.00 C ATOM 676 CE LYS A 46 -9.369 -0.193 11.624 1.00 0.00 C ATOM 677 NZ LYS A 46 -9.384 -1.648 11.307 1.00 0.00 N ATOM 0 H LYS A 46 -8.409 4.339 8.047 1.00 0.00 H new ATOM 0 HA LYS A 46 -8.407 4.488 10.969 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -8.086 1.912 9.378 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -7.647 2.086 11.066 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -9.917 2.405 11.738 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -10.451 2.690 10.094 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -11.123 0.464 10.574 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -9.703 0.295 9.560 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -8.339 0.142 11.744 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -9.872 -0.023 12.576 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -8.913 -2.174 12.070 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -10.368 -1.974 11.217 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -8.882 -1.813 10.412 1.00 0.00 H new ATOM 691 N ALA A 47 -6.027 5.068 10.687 1.00 0.00 N ATOM 692 CA ALA A 47 -4.612 5.400 10.584 1.00 0.00 C ATOM 693 C ALA A 47 -3.749 4.143 10.612 1.00 0.00 C ATOM 694 O ALA A 47 -3.935 3.271 11.462 1.00 0.00 O ATOM 695 CB ALA A 47 -4.208 6.345 11.706 1.00 0.00 C ATOM 0 H ALA A 47 -6.520 5.552 11.438 1.00 0.00 H new ATOM 0 HA ALA A 47 -4.450 5.898 9.628 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -3.148 6.584 11.616 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -4.794 7.262 11.638 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -4.392 5.867 12.668 1.00 0.00 H new ATOM 701 N ILE A 48 -2.807 4.056 9.679 1.00 0.00 N ATOM 702 CA ILE A 48 -1.916 2.905 9.599 1.00 0.00 C ATOM 703 C ILE A 48 -0.621 3.158 10.364 1.00 0.00 C ATOM 704 O ILE A 48 -0.051 4.247 10.295 1.00 0.00 O ATOM 705 CB ILE A 48 -1.577 2.557 8.138 1.00 0.00 C ATOM 706 CG1 ILE A 48 -2.859 2.390 7.319 1.00 0.00 C ATOM 707 CG2 ILE A 48 -0.734 1.292 8.077 1.00 0.00 C ATOM 708 CD1 ILE A 48 -2.608 2.055 5.866 1.00 0.00 C ATOM 0 H ILE A 48 -2.641 4.768 8.968 1.00 0.00 H new ATOM 0 HA ILE A 48 -2.443 2.065 10.051 1.00 0.00 H new ATOM 0 HB ILE A 48 -0.999 3.376 7.710 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -3.466 1.602 7.766 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -3.440 3.311 7.376 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -0.502 1.059 7.038 1.00 0.00 H new ATOM 0 HG22 ILE A 48 0.193 1.445 8.630 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -1.288 0.464 8.520 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -3.561 1.951 5.347 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -2.028 2.853 5.404 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -2.054 1.118 5.799 1.00 0.00 H new ATOM 720 N ARG A 49 -0.162 2.145 11.090 1.00 0.00 N ATOM 721 CA ARG A 49 1.067 2.257 11.867 1.00 0.00 C ATOM 722 C ARG A 49 2.154 1.349 11.299 1.00 0.00 C ATOM 723 O ARG A 49 2.019 0.125 11.298 1.00 0.00 O ATOM 724 CB ARG A 49 0.804 1.900 13.331 1.00 0.00 C ATOM 725 CG ARG A 49 -0.155 2.852 14.027 1.00 0.00 C ATOM 726 CD ARG A 49 -0.107 2.685 15.538 1.00 0.00 C ATOM 727 NE ARG A 49 -0.650 3.849 16.235 1.00 0.00 N ATOM 728 CZ ARG A 49 -0.697 3.957 17.558 1.00 0.00 C ATOM 729 NH1 ARG A 49 -0.237 2.977 18.323 1.00 0.00 N ATOM 730 NH2 ARG A 49 -1.206 5.047 18.118 1.00 0.00 N ATOM 0 H ARG A 49 -0.622 1.237 11.157 1.00 0.00 H new ATOM 0 HA ARG A 49 1.412 3.289 11.808 1.00 0.00 H new ATOM 0 HB2 ARG A 49 0.400 0.889 13.383 1.00 0.00 H new ATOM 0 HB3 ARG A 49 1.751 1.893 13.870 1.00 0.00 H new ATOM 0 HG2 ARG A 49 0.097 3.880 13.765 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -1.170 2.672 13.672 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -0.671 1.797 15.823 1.00 0.00 H new ATOM 0 HD3 ARG A 49 0.924 2.523 15.852 1.00 0.00 H new ATOM 0 HE ARG A 49 -1.013 4.621 15.675 1.00 0.00 H new ATOM 0 HH11 ARG A 49 0.154 2.137 17.896 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -0.274 3.063 19.339 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -1.562 5.803 17.532 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -1.242 5.129 19.134 1.00 0.00 H new ATOM 744 N LYS A 50 3.232 1.957 10.815 1.00 0.00 N ATOM 745 CA LYS A 50 4.344 1.206 10.244 1.00 0.00 C ATOM 746 C LYS A 50 4.664 -0.020 11.093 1.00 0.00 C ATOM 747 O LYS A 50 5.083 0.101 12.243 1.00 0.00 O ATOM 748 CB LYS A 50 5.582 2.097 10.129 1.00 0.00 C ATOM 749 CG LYS A 50 6.750 1.428 9.426 1.00 0.00 C ATOM 750 CD LYS A 50 8.012 2.269 9.516 1.00 0.00 C ATOM 751 CE LYS A 50 9.260 1.400 9.554 1.00 0.00 C ATOM 752 NZ LYS A 50 9.798 1.142 8.190 1.00 0.00 N ATOM 0 H LYS A 50 3.359 2.969 10.807 1.00 0.00 H new ATOM 0 HA LYS A 50 4.051 0.871 9.249 1.00 0.00 H new ATOM 0 HB2 LYS A 50 5.316 3.006 9.589 1.00 0.00 H new ATOM 0 HB3 LYS A 50 5.895 2.400 11.128 1.00 0.00 H new ATOM 0 HG2 LYS A 50 6.931 0.450 9.871 1.00 0.00 H new ATOM 0 HG3 LYS A 50 6.498 1.260 8.379 1.00 0.00 H new ATOM 0 HD2 LYS A 50 8.063 2.943 8.661 1.00 0.00 H new ATOM 0 HD3 LYS A 50 7.973 2.891 10.410 1.00 0.00 H new ATOM 0 HE2 LYS A 50 10.024 1.888 10.159 1.00 0.00 H new ATOM 0 HE3 LYS A 50 9.027 0.451 10.038 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 10.648 0.547 8.259 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 9.078 0.654 7.620 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 10.044 2.045 7.737 1.00 0.00 H new ATOM 766 N SER A 51 4.464 -1.201 10.516 1.00 0.00 N ATOM 767 CA SER A 51 4.730 -2.450 11.220 1.00 0.00 C ATOM 768 C SER A 51 5.146 -3.546 10.244 1.00 0.00 C ATOM 769 O SER A 51 5.096 -3.361 9.029 1.00 0.00 O ATOM 770 CB SER A 51 3.491 -2.892 12.003 1.00 0.00 C ATOM 771 OG SER A 51 3.852 -3.661 13.137 1.00 0.00 O ATOM 0 H SER A 51 4.119 -1.319 9.563 1.00 0.00 H new ATOM 0 HA SER A 51 5.550 -2.278 11.917 1.00 0.00 H new ATOM 0 HB2 SER A 51 2.925 -2.016 12.319 1.00 0.00 H new ATOM 0 HB3 SER A 51 2.838 -3.477 11.356 1.00 0.00 H new ATOM 0 HG SER A 51 3.043 -3.930 13.621 1.00 0.00 H new ATOM 777 N GLN A 52 5.557 -4.688 10.787 1.00 0.00 N ATOM 778 CA GLN A 52 5.984 -5.814 9.964 1.00 0.00 C ATOM 779 C GLN A 52 5.000 -6.058 8.824 1.00 0.00 C ATOM 780 O GLN A 52 5.360 -6.621 7.789 1.00 0.00 O ATOM 781 CB GLN A 52 6.116 -7.076 10.819 1.00 0.00 C ATOM 782 CG GLN A 52 4.852 -7.424 11.589 1.00 0.00 C ATOM 783 CD GLN A 52 4.901 -8.814 12.193 1.00 0.00 C ATOM 784 OE1 GLN A 52 5.794 -9.605 11.887 1.00 0.00 O ATOM 785 NE2 GLN A 52 3.940 -9.118 13.058 1.00 0.00 N ATOM 0 H GLN A 52 5.603 -4.858 11.792 1.00 0.00 H new ATOM 0 HA GLN A 52 6.956 -5.571 9.535 1.00 0.00 H new ATOM 0 HB2 GLN A 52 6.382 -7.915 10.176 1.00 0.00 H new ATOM 0 HB3 GLN A 52 6.936 -6.943 11.524 1.00 0.00 H new ATOM 0 HG2 GLN A 52 4.701 -6.692 12.383 1.00 0.00 H new ATOM 0 HG3 GLN A 52 3.993 -7.352 10.922 1.00 0.00 H new ATOM 0 HE21 GLN A 52 3.220 -8.431 13.282 1.00 0.00 H new ATOM 0 HE22 GLN A 52 3.922 -10.038 13.498 1.00 0.00 H new ATOM 794 N LYS A 53 3.757 -5.633 9.020 1.00 0.00 N ATOM 795 CA LYS A 53 2.721 -5.804 8.009 1.00 0.00 C ATOM 796 C LYS A 53 2.761 -4.669 6.991 1.00 0.00 C ATOM 797 O LYS A 53 2.875 -4.904 5.788 1.00 0.00 O ATOM 798 CB LYS A 53 1.341 -5.864 8.668 1.00 0.00 C ATOM 799 CG LYS A 53 0.198 -5.561 7.714 1.00 0.00 C ATOM 800 CD LYS A 53 0.035 -6.656 6.674 1.00 0.00 C ATOM 801 CE LYS A 53 -0.920 -7.740 7.149 1.00 0.00 C ATOM 802 NZ LYS A 53 -2.340 -7.296 7.086 1.00 0.00 N ATOM 0 H LYS A 53 3.442 -5.167 9.871 1.00 0.00 H new ATOM 0 HA LYS A 53 2.909 -6.743 7.488 1.00 0.00 H new ATOM 0 HB2 LYS A 53 1.194 -6.856 9.094 1.00 0.00 H new ATOM 0 HB3 LYS A 53 1.311 -5.154 9.495 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -0.729 -5.452 8.278 1.00 0.00 H new ATOM 0 HG3 LYS A 53 0.381 -4.609 7.216 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -0.337 -6.224 5.745 1.00 0.00 H new ATOM 0 HD3 LYS A 53 1.007 -7.097 6.454 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -0.791 -8.632 6.536 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -0.672 -8.019 8.173 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -2.945 -7.999 7.557 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -2.438 -6.378 7.565 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -2.630 -7.201 6.092 1.00 0.00 H new ATOM 816 N TYR A 54 2.668 -3.438 7.481 1.00 0.00 N ATOM 817 CA TYR A 54 2.693 -2.266 6.614 1.00 0.00 C ATOM 818 C TYR A 54 4.053 -1.577 6.667 1.00 0.00 C ATOM 819 O TYR A 54 4.374 -0.886 7.634 1.00 0.00 O ATOM 820 CB TYR A 54 1.595 -1.282 7.020 1.00 0.00 C ATOM 821 CG TYR A 54 0.202 -1.865 6.946 1.00 0.00 C ATOM 822 CD1 TYR A 54 -0.310 -2.343 5.746 1.00 0.00 C ATOM 823 CD2 TYR A 54 -0.603 -1.938 8.077 1.00 0.00 C ATOM 824 CE1 TYR A 54 -1.582 -2.876 5.674 1.00 0.00 C ATOM 825 CE2 TYR A 54 -1.876 -2.470 8.014 1.00 0.00 C ATOM 826 CZ TYR A 54 -2.361 -2.938 6.811 1.00 0.00 C ATOM 827 OH TYR A 54 -3.629 -3.469 6.744 1.00 0.00 O ATOM 0 H TYR A 54 2.575 -3.226 8.474 1.00 0.00 H new ATOM 0 HA TYR A 54 2.514 -2.599 5.592 1.00 0.00 H new ATOM 0 HB2 TYR A 54 1.783 -0.940 8.038 1.00 0.00 H new ATOM 0 HB3 TYR A 54 1.648 -0.405 6.375 1.00 0.00 H new ATOM 0 HD1 TYR A 54 0.297 -2.297 4.854 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -0.227 -1.572 9.021 1.00 0.00 H new ATOM 0 HE1 TYR A 54 -1.965 -3.242 4.733 1.00 0.00 H new ATOM 0 HE2 TYR A 54 -2.488 -2.519 8.902 1.00 0.00 H new ATOM 0 HH TYR A 54 -4.043 -3.440 7.632 1.00 0.00 H new ATOM 837 N ASP A 55 4.849 -1.771 5.621 1.00 0.00 N ATOM 838 CA ASP A 55 6.174 -1.169 5.546 1.00 0.00 C ATOM 839 C ASP A 55 6.136 0.132 4.750 1.00 0.00 C ATOM 840 O ASP A 55 6.004 0.120 3.526 1.00 0.00 O ATOM 841 CB ASP A 55 7.165 -2.143 4.907 1.00 0.00 C ATOM 842 CG ASP A 55 7.071 -3.536 5.498 1.00 0.00 C ATOM 843 OD1 ASP A 55 6.879 -3.647 6.727 1.00 0.00 O ATOM 844 OD2 ASP A 55 7.187 -4.514 4.731 1.00 0.00 O ATOM 0 H ASP A 55 4.599 -2.341 4.813 1.00 0.00 H new ATOM 0 HA ASP A 55 6.501 -0.944 6.561 1.00 0.00 H new ATOM 0 HB2 ASP A 55 6.980 -2.194 3.834 1.00 0.00 H new ATOM 0 HB3 ASP A 55 8.178 -1.764 5.038 1.00 0.00 H new ATOM 849 N VAL A 56 6.250 1.254 5.453 1.00 0.00 N ATOM 850 CA VAL A 56 6.228 2.564 4.813 1.00 0.00 C ATOM 851 C VAL A 56 7.621 2.969 4.342 1.00 0.00 C ATOM 852 O VAL A 56 8.527 3.168 5.151 1.00 0.00 O ATOM 853 CB VAL A 56 5.685 3.646 5.765 1.00 0.00 C ATOM 854 CG1 VAL A 56 5.502 4.963 5.028 1.00 0.00 C ATOM 855 CG2 VAL A 56 4.377 3.192 6.396 1.00 0.00 C ATOM 0 H VAL A 56 6.359 1.282 6.467 1.00 0.00 H new ATOM 0 HA VAL A 56 5.565 2.484 3.952 1.00 0.00 H new ATOM 0 HB VAL A 56 6.412 3.802 6.562 1.00 0.00 H new ATOM 0 HG11 VAL A 56 5.118 5.715 5.717 1.00 0.00 H new ATOM 0 HG12 VAL A 56 6.461 5.293 4.629 1.00 0.00 H new ATOM 0 HG13 VAL A 56 4.796 4.827 4.209 1.00 0.00 H new ATOM 0 HG21 VAL A 56 4.007 3.968 7.066 1.00 0.00 H new ATOM 0 HG22 VAL A 56 3.641 3.007 5.614 1.00 0.00 H new ATOM 0 HG23 VAL A 56 4.545 2.275 6.961 1.00 0.00 H new ATOM 865 N VAL A 57 7.784 3.089 3.029 1.00 0.00 N ATOM 866 CA VAL A 57 9.066 3.473 2.449 1.00 0.00 C ATOM 867 C VAL A 57 8.944 4.767 1.653 1.00 0.00 C ATOM 868 O VAL A 57 8.518 4.760 0.498 1.00 0.00 O ATOM 869 CB VAL A 57 9.619 2.368 1.530 1.00 0.00 C ATOM 870 CG1 VAL A 57 11.027 2.711 1.070 1.00 0.00 C ATOM 871 CG2 VAL A 57 9.594 1.022 2.239 1.00 0.00 C ATOM 0 H VAL A 57 7.044 2.926 2.346 1.00 0.00 H new ATOM 0 HA VAL A 57 9.756 3.625 3.279 1.00 0.00 H new ATOM 0 HB VAL A 57 8.981 2.300 0.649 1.00 0.00 H new ATOM 0 HG11 VAL A 57 11.401 1.919 0.422 1.00 0.00 H new ATOM 0 HG12 VAL A 57 11.011 3.652 0.521 1.00 0.00 H new ATOM 0 HG13 VAL A 57 11.680 2.808 1.938 1.00 0.00 H new ATOM 0 HG21 VAL A 57 9.988 0.253 1.574 1.00 0.00 H new ATOM 0 HG22 VAL A 57 10.207 1.073 3.139 1.00 0.00 H new ATOM 0 HG23 VAL A 57 8.568 0.774 2.513 1.00 0.00 H new ATOM 881 N CYS A 58 9.321 5.877 2.279 1.00 0.00 N ATOM 882 CA CYS A 58 9.254 7.181 1.629 1.00 0.00 C ATOM 883 C CYS A 58 10.644 7.657 1.221 1.00 0.00 C ATOM 884 O CYS A 58 11.426 8.108 2.057 1.00 0.00 O ATOM 885 CB CYS A 58 8.604 8.206 2.560 1.00 0.00 C ATOM 886 SG CYS A 58 8.517 9.876 1.874 1.00 0.00 S ATOM 0 H CYS A 58 9.676 5.900 3.235 1.00 0.00 H new ATOM 0 HA CYS A 58 8.646 7.080 0.730 1.00 0.00 H new ATOM 0 HB2 CYS A 58 7.595 7.872 2.803 1.00 0.00 H new ATOM 0 HB3 CYS A 58 9.163 8.238 3.495 1.00 0.00 H new ATOM 0 HG CYS A 58 7.950 10.669 2.734 1.00 0.00 H new ATOM 892 N GLU A 59 10.945 7.552 -0.070 1.00 0.00 N ATOM 893 CA GLU A 59 12.242 7.970 -0.588 1.00 0.00 C ATOM 894 C GLU A 59 12.086 8.717 -1.910 1.00 0.00 C ATOM 895 O GLU A 59 11.231 8.380 -2.728 1.00 0.00 O ATOM 896 CB GLU A 59 13.154 6.756 -0.780 1.00 0.00 C ATOM 897 CG GLU A 59 13.772 6.248 0.512 1.00 0.00 C ATOM 898 CD GLU A 59 15.099 6.912 0.824 1.00 0.00 C ATOM 899 OE1 GLU A 59 15.087 8.074 1.282 1.00 0.00 O ATOM 900 OE2 GLU A 59 16.148 6.270 0.612 1.00 0.00 O ATOM 0 H GLU A 59 10.308 7.181 -0.775 1.00 0.00 H new ATOM 0 HA GLU A 59 12.694 8.645 0.139 1.00 0.00 H new ATOM 0 HB2 GLU A 59 12.581 5.951 -1.240 1.00 0.00 H new ATOM 0 HB3 GLU A 59 13.951 7.018 -1.476 1.00 0.00 H new ATOM 0 HG2 GLU A 59 13.080 6.424 1.335 1.00 0.00 H new ATOM 0 HG3 GLU A 59 13.917 5.170 0.442 1.00 0.00 H new ATOM 907 N GLY A 60 12.919 9.733 -2.111 1.00 0.00 N ATOM 908 CA GLY A 60 12.857 10.513 -3.333 1.00 0.00 C ATOM 909 C GLY A 60 11.438 10.688 -3.838 1.00 0.00 C ATOM 910 O GLY A 60 11.032 10.047 -4.808 1.00 0.00 O ATOM 0 H GLY A 60 13.636 10.030 -1.449 1.00 0.00 H new ATOM 0 HA2 GLY A 60 13.300 11.493 -3.158 1.00 0.00 H new ATOM 0 HA3 GLY A 60 13.456 10.025 -4.102 1.00 0.00 H new ATOM 914 N THR A 61 10.680 11.557 -3.177 1.00 0.00 N ATOM 915 CA THR A 61 9.297 11.813 -3.562 1.00 0.00 C ATOM 916 C THR A 61 8.594 10.524 -3.973 1.00 0.00 C ATOM 917 O THR A 61 7.853 10.497 -4.955 1.00 0.00 O ATOM 918 CB THR A 61 9.215 12.822 -4.723 1.00 0.00 C ATOM 919 OG1 THR A 61 9.779 12.250 -5.909 1.00 0.00 O ATOM 920 CG2 THR A 61 9.949 14.108 -4.376 1.00 0.00 C ATOM 0 H THR A 61 11.000 12.096 -2.372 1.00 0.00 H new ATOM 0 HA THR A 61 8.798 12.234 -2.689 1.00 0.00 H new ATOM 0 HB THR A 61 8.165 13.058 -4.897 1.00 0.00 H new ATOM 0 HG1 THR A 61 10.148 11.366 -5.702 1.00 0.00 H new ATOM 0 HG21 THR A 61 9.877 14.805 -5.211 1.00 0.00 H new ATOM 0 HG22 THR A 61 9.499 14.556 -3.490 1.00 0.00 H new ATOM 0 HG23 THR A 61 10.998 13.886 -4.178 1.00 0.00 H new ATOM 928 N MET A 62 8.830 9.459 -3.214 1.00 0.00 N ATOM 929 CA MET A 62 8.216 8.167 -3.499 1.00 0.00 C ATOM 930 C MET A 62 7.779 7.477 -2.210 1.00 0.00 C ATOM 931 O MET A 62 8.606 6.958 -1.462 1.00 0.00 O ATOM 932 CB MET A 62 9.193 7.272 -4.264 1.00 0.00 C ATOM 933 CG MET A 62 8.515 6.145 -5.026 1.00 0.00 C ATOM 934 SD MET A 62 7.817 4.890 -3.936 1.00 0.00 S ATOM 935 CE MET A 62 9.308 4.156 -3.268 1.00 0.00 C ATOM 0 H MET A 62 9.441 9.465 -2.398 1.00 0.00 H new ATOM 0 HA MET A 62 7.334 8.340 -4.115 1.00 0.00 H new ATOM 0 HB2 MET A 62 9.761 7.884 -4.965 1.00 0.00 H new ATOM 0 HB3 MET A 62 9.909 6.845 -3.561 1.00 0.00 H new ATOM 0 HG2 MET A 62 7.723 6.559 -5.651 1.00 0.00 H new ATOM 0 HG3 MET A 62 9.238 5.678 -5.695 1.00 0.00 H new ATOM 0 HE1 MET A 62 9.255 3.072 -3.365 1.00 0.00 H new ATOM 0 HE2 MET A 62 10.174 4.527 -3.817 1.00 0.00 H new ATOM 0 HE3 MET A 62 9.404 4.422 -2.215 1.00 0.00 H new ATOM 945 N ALA A 63 6.474 7.477 -1.959 1.00 0.00 N ATOM 946 CA ALA A 63 5.927 6.850 -0.762 1.00 0.00 C ATOM 947 C ALA A 63 5.317 5.490 -1.085 1.00 0.00 C ATOM 948 O ALA A 63 4.220 5.406 -1.635 1.00 0.00 O ATOM 949 CB ALA A 63 4.888 7.756 -0.119 1.00 0.00 C ATOM 0 H ALA A 63 5.776 7.904 -2.568 1.00 0.00 H new ATOM 0 HA ALA A 63 6.744 6.695 -0.057 1.00 0.00 H new ATOM 0 HB1 ALA A 63 4.488 7.275 0.774 1.00 0.00 H new ATOM 0 HB2 ALA A 63 5.352 8.703 0.156 1.00 0.00 H new ATOM 0 HB3 ALA A 63 4.079 7.940 -0.825 1.00 0.00 H new ATOM 955 N MET A 64 6.037 4.427 -0.739 1.00 0.00 N ATOM 956 CA MET A 64 5.565 3.070 -0.992 1.00 0.00 C ATOM 957 C MET A 64 5.027 2.434 0.286 1.00 0.00 C ATOM 958 O MET A 64 5.496 2.733 1.385 1.00 0.00 O ATOM 959 CB MET A 64 6.696 2.213 -1.565 1.00 0.00 C ATOM 960 CG MET A 64 6.216 0.910 -2.184 1.00 0.00 C ATOM 961 SD MET A 64 7.549 -0.018 -2.967 1.00 0.00 S ATOM 962 CE MET A 64 8.494 -0.530 -1.534 1.00 0.00 C ATOM 0 H MET A 64 6.948 4.479 -0.283 1.00 0.00 H new ATOM 0 HA MET A 64 4.755 3.123 -1.719 1.00 0.00 H new ATOM 0 HB2 MET A 64 7.231 2.789 -2.320 1.00 0.00 H new ATOM 0 HB3 MET A 64 7.409 1.988 -0.771 1.00 0.00 H new ATOM 0 HG2 MET A 64 5.754 0.294 -1.412 1.00 0.00 H new ATOM 0 HG3 MET A 64 5.445 1.126 -2.924 1.00 0.00 H new ATOM 0 HE1 MET A 64 9.162 -1.346 -1.811 1.00 0.00 H new ATOM 0 HE2 MET A 64 9.082 0.311 -1.166 1.00 0.00 H new ATOM 0 HE3 MET A 64 7.814 -0.867 -0.751 1.00 0.00 H new ATOM 972 N LEU A 65 4.041 1.557 0.135 1.00 0.00 N ATOM 973 CA LEU A 65 3.439 0.879 1.278 1.00 0.00 C ATOM 974 C LEU A 65 3.281 -0.613 1.004 1.00 0.00 C ATOM 975 O LEU A 65 2.385 -1.029 0.269 1.00 0.00 O ATOM 976 CB LEU A 65 2.078 1.497 1.603 1.00 0.00 C ATOM 977 CG LEU A 65 1.282 0.817 2.718 1.00 0.00 C ATOM 978 CD1 LEU A 65 1.840 1.199 4.081 1.00 0.00 C ATOM 979 CD2 LEU A 65 -0.191 1.185 2.622 1.00 0.00 C ATOM 0 H LEU A 65 3.641 1.299 -0.767 1.00 0.00 H new ATOM 0 HA LEU A 65 4.102 1.004 2.134 1.00 0.00 H new ATOM 0 HB2 LEU A 65 2.231 2.541 1.878 1.00 0.00 H new ATOM 0 HB3 LEU A 65 1.473 1.492 0.696 1.00 0.00 H new ATOM 0 HG LEU A 65 1.375 -0.262 2.599 1.00 0.00 H new ATOM 0 HD11 LEU A 65 1.261 0.706 4.862 1.00 0.00 H new ATOM 0 HD12 LEU A 65 2.882 0.886 4.149 1.00 0.00 H new ATOM 0 HD13 LEU A 65 1.777 2.280 4.210 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -0.742 0.692 3.423 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -0.303 2.265 2.716 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -0.585 0.862 1.658 1.00 0.00 H new ATOM 991 N VAL A 66 4.156 -1.416 1.602 1.00 0.00 N ATOM 992 CA VAL A 66 4.111 -2.862 1.425 1.00 0.00 C ATOM 993 C VAL A 66 3.050 -3.493 2.320 1.00 0.00 C ATOM 994 O VAL A 66 2.929 -3.146 3.495 1.00 0.00 O ATOM 995 CB VAL A 66 5.476 -3.507 1.733 1.00 0.00 C ATOM 996 CG1 VAL A 66 5.456 -4.989 1.387 1.00 0.00 C ATOM 997 CG2 VAL A 66 6.586 -2.790 0.979 1.00 0.00 C ATOM 0 H VAL A 66 4.904 -1.089 2.213 1.00 0.00 H new ATOM 0 HA VAL A 66 3.857 -3.046 0.381 1.00 0.00 H new ATOM 0 HB VAL A 66 5.672 -3.410 2.801 1.00 0.00 H new ATOM 0 HG11 VAL A 66 6.428 -5.428 1.611 1.00 0.00 H new ATOM 0 HG12 VAL A 66 4.687 -5.490 1.976 1.00 0.00 H new ATOM 0 HG13 VAL A 66 5.238 -5.112 0.326 1.00 0.00 H new ATOM 0 HG21 VAL A 66 7.543 -3.259 1.208 1.00 0.00 H new ATOM 0 HG22 VAL A 66 6.398 -2.854 -0.093 1.00 0.00 H new ATOM 0 HG23 VAL A 66 6.613 -1.743 1.281 1.00 0.00 H new ATOM 1007 N ILE A 67 2.284 -4.421 1.756 1.00 0.00 N ATOM 1008 CA ILE A 67 1.234 -5.101 2.503 1.00 0.00 C ATOM 1009 C ILE A 67 1.476 -6.606 2.546 1.00 0.00 C ATOM 1010 O ILE A 67 0.835 -7.369 1.823 1.00 0.00 O ATOM 1011 CB ILE A 67 -0.155 -4.833 1.894 1.00 0.00 C ATOM 1012 CG1 ILE A 67 -0.450 -3.332 1.883 1.00 0.00 C ATOM 1013 CG2 ILE A 67 -1.227 -5.584 2.669 1.00 0.00 C ATOM 1014 CD1 ILE A 67 -1.396 -2.910 0.781 1.00 0.00 C ATOM 0 H ILE A 67 2.371 -4.719 0.784 1.00 0.00 H new ATOM 0 HA ILE A 67 1.260 -4.702 3.517 1.00 0.00 H new ATOM 0 HB ILE A 67 -0.160 -5.192 0.865 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -0.876 -3.047 2.845 1.00 0.00 H new ATOM 0 HG13 ILE A 67 0.487 -2.787 1.775 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -2.203 -5.384 2.227 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -1.022 -6.654 2.629 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -1.225 -5.253 3.707 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -1.560 -1.834 0.834 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -0.964 -3.164 -0.187 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -2.348 -3.428 0.900 1.00 0.00 H new ATOM 1026 N ARG A 68 2.405 -7.026 3.399 1.00 0.00 N ATOM 1027 CA ARG A 68 2.731 -8.441 3.537 1.00 0.00 C ATOM 1028 C ARG A 68 1.474 -9.267 3.791 1.00 0.00 C ATOM 1029 O ARG A 68 0.630 -8.898 4.607 1.00 0.00 O ATOM 1030 CB ARG A 68 3.729 -8.647 4.679 1.00 0.00 C ATOM 1031 CG ARG A 68 5.160 -8.293 4.309 1.00 0.00 C ATOM 1032 CD ARG A 68 5.789 -9.365 3.433 1.00 0.00 C ATOM 1033 NE ARG A 68 7.248 -9.284 3.432 1.00 0.00 N ATOM 1034 CZ ARG A 68 7.937 -8.450 2.661 1.00 0.00 C ATOM 1035 NH1 ARG A 68 7.304 -7.630 1.834 1.00 0.00 N ATOM 1036 NH2 ARG A 68 9.263 -8.436 2.717 1.00 0.00 N ATOM 0 H ARG A 68 2.945 -6.407 4.004 1.00 0.00 H new ATOM 0 HA ARG A 68 3.182 -8.777 2.603 1.00 0.00 H new ATOM 0 HB2 ARG A 68 3.423 -8.041 5.532 1.00 0.00 H new ATOM 0 HB3 ARG A 68 3.692 -9.688 4.999 1.00 0.00 H new ATOM 0 HG2 ARG A 68 5.176 -7.337 3.785 1.00 0.00 H new ATOM 0 HG3 ARG A 68 5.752 -8.169 5.216 1.00 0.00 H new ATOM 0 HD2 ARG A 68 5.481 -10.349 3.786 1.00 0.00 H new ATOM 0 HD3 ARG A 68 5.419 -9.262 2.413 1.00 0.00 H new ATOM 0 HE ARG A 68 7.766 -9.902 4.057 1.00 0.00 H new ATOM 0 HH11 ARG A 68 6.285 -7.638 1.788 1.00 0.00 H new ATOM 0 HH12 ARG A 68 7.836 -6.991 1.243 1.00 0.00 H new ATOM 0 HH21 ARG A 68 9.753 -9.066 3.352 1.00 0.00 H new ATOM 0 HH22 ARG A 68 9.792 -7.796 2.125 1.00 0.00 H new ATOM 1050 N GLY A 69 1.355 -10.387 3.084 1.00 0.00 N ATOM 1051 CA GLY A 69 0.198 -11.247 3.246 1.00 0.00 C ATOM 1052 C GLY A 69 -1.106 -10.475 3.224 1.00 0.00 C ATOM 1053 O GLY A 69 -1.668 -10.162 4.273 1.00 0.00 O ATOM 0 H GLY A 69 2.040 -10.714 2.402 1.00 0.00 H new ATOM 0 HA2 GLY A 69 0.189 -11.992 2.451 1.00 0.00 H new ATOM 0 HA3 GLY A 69 0.280 -11.788 4.189 1.00 0.00 H new ATOM 1057 N ALA A 70 -1.589 -10.166 2.025 1.00 0.00 N ATOM 1058 CA ALA A 70 -2.835 -9.426 1.870 1.00 0.00 C ATOM 1059 C ALA A 70 -4.032 -10.370 1.825 1.00 0.00 C ATOM 1060 O ALA A 70 -4.314 -10.982 0.795 1.00 0.00 O ATOM 1061 CB ALA A 70 -2.788 -8.570 0.613 1.00 0.00 C ATOM 0 H ALA A 70 -1.136 -10.417 1.146 1.00 0.00 H new ATOM 0 HA ALA A 70 -2.952 -8.774 2.736 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -3.725 -8.023 0.510 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -1.961 -7.863 0.685 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -2.644 -9.210 -0.258 1.00 0.00 H new ATOM 1067 N SER A 71 -4.732 -10.484 2.949 1.00 0.00 N ATOM 1068 CA SER A 71 -5.897 -11.357 3.039 1.00 0.00 C ATOM 1069 C SER A 71 -7.150 -10.645 2.539 1.00 0.00 C ATOM 1070 O SER A 71 -7.196 -9.416 2.475 1.00 0.00 O ATOM 1071 CB SER A 71 -6.102 -11.821 4.483 1.00 0.00 C ATOM 1072 OG SER A 71 -5.832 -10.774 5.398 1.00 0.00 O ATOM 0 H SER A 71 -4.513 -9.983 3.810 1.00 0.00 H new ATOM 0 HA SER A 71 -5.718 -12.227 2.407 1.00 0.00 H new ATOM 0 HB2 SER A 71 -7.127 -12.168 4.615 1.00 0.00 H new ATOM 0 HB3 SER A 71 -5.449 -12.668 4.692 1.00 0.00 H new ATOM 0 HG SER A 71 -5.862 -9.914 4.929 1.00 0.00 H new ATOM 1078 N LEU A 72 -8.164 -11.426 2.184 1.00 0.00 N ATOM 1079 CA LEU A 72 -9.419 -10.872 1.688 1.00 0.00 C ATOM 1080 C LEU A 72 -9.805 -9.617 2.466 1.00 0.00 C ATOM 1081 O LEU A 72 -10.386 -8.684 1.911 1.00 0.00 O ATOM 1082 CB LEU A 72 -10.535 -11.913 1.791 1.00 0.00 C ATOM 1083 CG LEU A 72 -10.401 -13.133 0.880 1.00 0.00 C ATOM 1084 CD1 LEU A 72 -11.345 -14.239 1.325 1.00 0.00 C ATOM 1085 CD2 LEU A 72 -10.671 -12.749 -0.568 1.00 0.00 C ATOM 0 H LEU A 72 -8.142 -12.445 2.230 1.00 0.00 H new ATOM 0 HA LEU A 72 -9.280 -10.600 0.642 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -10.587 -12.259 2.823 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -11.483 -11.423 1.571 1.00 0.00 H new ATOM 0 HG LEU A 72 -9.379 -13.506 0.952 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -11.235 -15.099 0.664 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -11.105 -14.533 2.347 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -12.373 -13.879 1.283 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -10.571 -13.630 -1.203 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -11.682 -12.351 -0.656 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -9.954 -11.991 -0.883 1.00 0.00 H new ATOM 1097 N LYS A 73 -9.477 -9.601 3.753 1.00 0.00 N ATOM 1098 CA LYS A 73 -9.785 -8.461 4.607 1.00 0.00 C ATOM 1099 C LYS A 73 -8.926 -7.255 4.237 1.00 0.00 C ATOM 1100 O LYS A 73 -9.418 -6.129 4.168 1.00 0.00 O ATOM 1101 CB LYS A 73 -9.566 -8.824 6.078 1.00 0.00 C ATOM 1102 CG LYS A 73 -8.167 -8.511 6.580 1.00 0.00 C ATOM 1103 CD LYS A 73 -8.034 -8.785 8.068 1.00 0.00 C ATOM 1104 CE LYS A 73 -6.724 -8.243 8.620 1.00 0.00 C ATOM 1105 NZ LYS A 73 -6.822 -7.928 10.072 1.00 0.00 N ATOM 0 H LYS A 73 -8.997 -10.366 4.228 1.00 0.00 H new ATOM 0 HA LYS A 73 -10.832 -8.199 4.456 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -10.291 -8.285 6.688 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -9.762 -9.887 6.214 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -7.440 -9.111 6.032 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -7.933 -7.465 6.379 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -8.870 -8.330 8.599 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -8.089 -9.859 8.248 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -5.932 -8.975 8.460 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -6.443 -7.344 8.071 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -5.909 -7.561 10.410 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -7.560 -7.211 10.223 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -7.065 -8.791 10.599 1.00 0.00 H new ATOM 1119 N ASP A 74 -7.643 -7.501 3.999 1.00 0.00 N ATOM 1120 CA ASP A 74 -6.716 -6.436 3.633 1.00 0.00 C ATOM 1121 C ASP A 74 -7.352 -5.485 2.624 1.00 0.00 C ATOM 1122 O ASP A 74 -7.070 -4.287 2.621 1.00 0.00 O ATOM 1123 CB ASP A 74 -5.429 -7.027 3.056 1.00 0.00 C ATOM 1124 CG ASP A 74 -4.519 -7.592 4.128 1.00 0.00 C ATOM 1125 OD1 ASP A 74 -4.916 -8.577 4.785 1.00 0.00 O ATOM 1126 OD2 ASP A 74 -3.409 -7.049 4.311 1.00 0.00 O ATOM 0 H ASP A 74 -7.221 -8.428 4.053 1.00 0.00 H new ATOM 0 HA ASP A 74 -6.475 -5.872 4.534 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -5.681 -7.814 2.346 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -4.896 -6.255 2.501 1.00 0.00 H new ATOM 1131 N ALA A 75 -8.211 -6.028 1.767 1.00 0.00 N ATOM 1132 CA ALA A 75 -8.887 -5.228 0.754 1.00 0.00 C ATOM 1133 C ALA A 75 -9.637 -4.060 1.386 1.00 0.00 C ATOM 1134 O ALA A 75 -10.537 -4.257 2.201 1.00 0.00 O ATOM 1135 CB ALA A 75 -9.841 -6.096 -0.053 1.00 0.00 C ATOM 0 H ALA A 75 -8.455 -7.018 1.755 1.00 0.00 H new ATOM 0 HA ALA A 75 -8.130 -4.819 0.085 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -10.339 -5.486 -0.806 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -9.282 -6.893 -0.543 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -10.587 -6.532 0.612 1.00 0.00 H new ATOM 1141 N GLY A 76 -9.259 -2.844 1.005 1.00 0.00 N ATOM 1142 CA GLY A 76 -9.905 -1.663 1.545 1.00 0.00 C ATOM 1143 C GLY A 76 -9.535 -0.402 0.790 1.00 0.00 C ATOM 1144 O GLY A 76 -8.893 -0.465 -0.258 1.00 0.00 O ATOM 0 H GLY A 76 -8.516 -2.656 0.332 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -10.986 -1.798 1.513 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -9.629 -1.549 2.593 1.00 0.00 H new ATOM 1148 N GLU A 77 -9.942 0.746 1.322 1.00 0.00 N ATOM 1149 CA GLU A 77 -9.651 2.027 0.688 1.00 0.00 C ATOM 1150 C GLU A 77 -8.401 2.661 1.292 1.00 0.00 C ATOM 1151 O GLU A 77 -8.302 2.828 2.508 1.00 0.00 O ATOM 1152 CB GLU A 77 -10.841 2.977 0.837 1.00 0.00 C ATOM 1153 CG GLU A 77 -10.978 3.965 -0.310 1.00 0.00 C ATOM 1154 CD GLU A 77 -12.203 4.849 -0.175 1.00 0.00 C ATOM 1155 OE1 GLU A 77 -12.207 5.726 0.713 1.00 0.00 O ATOM 1156 OE2 GLU A 77 -13.158 4.662 -0.958 1.00 0.00 O ATOM 0 H GLU A 77 -10.474 0.816 2.190 1.00 0.00 H new ATOM 0 HA GLU A 77 -9.470 1.846 -0.372 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -11.757 2.390 0.911 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -10.740 3.529 1.771 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -10.086 4.590 -0.354 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -11.031 3.418 -1.251 1.00 0.00 H new ATOM 1163 N TYR A 78 -7.450 3.012 0.434 1.00 0.00 N ATOM 1164 CA TYR A 78 -6.205 3.625 0.882 1.00 0.00 C ATOM 1165 C TYR A 78 -6.184 5.115 0.557 1.00 0.00 C ATOM 1166 O TYR A 78 -6.002 5.510 -0.595 1.00 0.00 O ATOM 1167 CB TYR A 78 -5.007 2.932 0.229 1.00 0.00 C ATOM 1168 CG TYR A 78 -4.725 1.556 0.787 1.00 0.00 C ATOM 1169 CD1 TYR A 78 -3.893 1.388 1.887 1.00 0.00 C ATOM 1170 CD2 TYR A 78 -5.290 0.423 0.214 1.00 0.00 C ATOM 1171 CE1 TYR A 78 -3.632 0.132 2.400 1.00 0.00 C ATOM 1172 CE2 TYR A 78 -5.035 -0.836 0.721 1.00 0.00 C ATOM 1173 CZ TYR A 78 -4.206 -0.977 1.814 1.00 0.00 C ATOM 1174 OH TYR A 78 -3.949 -2.230 2.322 1.00 0.00 O ATOM 0 H TYR A 78 -7.517 2.883 -0.576 1.00 0.00 H new ATOM 0 HA TYR A 78 -6.140 3.507 1.964 1.00 0.00 H new ATOM 0 HB2 TYR A 78 -5.185 2.850 -0.843 1.00 0.00 H new ATOM 0 HB3 TYR A 78 -4.122 3.556 0.358 1.00 0.00 H new ATOM 0 HD1 TYR A 78 -3.443 2.254 2.349 1.00 0.00 H new ATOM 0 HD2 TYR A 78 -5.940 0.529 -0.642 1.00 0.00 H new ATOM 0 HE1 TYR A 78 -2.982 0.019 3.255 1.00 0.00 H new ATOM 0 HE2 TYR A 78 -5.483 -1.706 0.264 1.00 0.00 H new ATOM 0 HH TYR A 78 -4.431 -2.902 1.795 1.00 0.00 H new ATOM 1184 N THR A 79 -6.371 5.940 1.583 1.00 0.00 N ATOM 1185 CA THR A 79 -6.374 7.387 1.410 1.00 0.00 C ATOM 1186 C THR A 79 -5.031 7.991 1.803 1.00 0.00 C ATOM 1187 O THR A 79 -4.656 7.983 2.976 1.00 0.00 O ATOM 1188 CB THR A 79 -7.487 8.050 2.243 1.00 0.00 C ATOM 1189 OG1 THR A 79 -8.767 7.561 1.830 1.00 0.00 O ATOM 1190 CG2 THR A 79 -7.445 9.564 2.095 1.00 0.00 C ATOM 0 H THR A 79 -6.522 5.630 2.543 1.00 0.00 H new ATOM 0 HA THR A 79 -6.559 7.578 0.353 1.00 0.00 H new ATOM 0 HB THR A 79 -7.324 7.798 3.291 1.00 0.00 H new ATOM 0 HG1 THR A 79 -9.468 7.987 2.366 1.00 0.00 H new ATOM 0 HG21 THR A 79 -8.240 10.010 2.692 1.00 0.00 H new ATOM 0 HG22 THR A 79 -6.480 9.937 2.439 1.00 0.00 H new ATOM 0 HG23 THR A 79 -7.584 9.831 1.048 1.00 0.00 H new ATOM 1198 N CYS A 80 -4.312 8.515 0.817 1.00 0.00 N ATOM 1199 CA CYS A 80 -3.009 9.124 1.061 1.00 0.00 C ATOM 1200 C CYS A 80 -3.151 10.616 1.346 1.00 0.00 C ATOM 1201 O CYS A 80 -3.134 11.437 0.430 1.00 0.00 O ATOM 1202 CB CYS A 80 -2.089 8.908 -0.142 1.00 0.00 C ATOM 1203 SG CYS A 80 -0.372 9.396 0.146 1.00 0.00 S ATOM 0 H CYS A 80 -4.609 8.531 -0.159 1.00 0.00 H new ATOM 0 HA CYS A 80 -2.570 8.645 1.936 1.00 0.00 H new ATOM 0 HB2 CYS A 80 -2.114 7.855 -0.421 1.00 0.00 H new ATOM 0 HB3 CYS A 80 -2.479 9.472 -0.990 1.00 0.00 H new ATOM 0 HG CYS A 80 0.328 9.174 -0.927 1.00 0.00 H new ATOM 1209 N GLU A 81 -3.294 10.957 2.623 1.00 0.00 N ATOM 1210 CA GLU A 81 -3.441 12.350 3.029 1.00 0.00 C ATOM 1211 C GLU A 81 -2.087 13.053 3.065 1.00 0.00 C ATOM 1212 O GLU A 81 -1.197 12.670 3.825 1.00 0.00 O ATOM 1213 CB GLU A 81 -4.111 12.437 4.402 1.00 0.00 C ATOM 1214 CG GLU A 81 -4.987 13.665 4.575 1.00 0.00 C ATOM 1215 CD GLU A 81 -5.302 13.957 6.030 1.00 0.00 C ATOM 1216 OE1 GLU A 81 -6.164 13.257 6.603 1.00 0.00 O ATOM 1217 OE2 GLU A 81 -4.686 14.885 6.595 1.00 0.00 O ATOM 0 H GLU A 81 -3.311 10.289 3.393 1.00 0.00 H new ATOM 0 HA GLU A 81 -4.071 12.851 2.294 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -4.716 11.544 4.559 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -3.341 12.439 5.173 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -4.487 14.528 4.135 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -5.918 13.522 4.027 1.00 0.00 H new ATOM 1224 N VAL A 82 -1.939 14.083 2.239 1.00 0.00 N ATOM 1225 CA VAL A 82 -0.694 14.840 2.176 1.00 0.00 C ATOM 1226 C VAL A 82 -0.886 16.258 2.703 1.00 0.00 C ATOM 1227 O VAL A 82 -1.988 16.640 3.096 1.00 0.00 O ATOM 1228 CB VAL A 82 -0.151 14.909 0.737 1.00 0.00 C ATOM 1229 CG1 VAL A 82 -0.873 15.988 -0.056 1.00 0.00 C ATOM 1230 CG2 VAL A 82 1.350 15.156 0.745 1.00 0.00 C ATOM 0 H VAL A 82 -2.666 14.413 1.604 1.00 0.00 H new ATOM 0 HA VAL A 82 0.027 14.316 2.804 1.00 0.00 H new ATOM 0 HB VAL A 82 -0.336 13.951 0.252 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -0.475 16.022 -1.070 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -1.939 15.762 -0.091 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -0.723 16.955 0.425 1.00 0.00 H new ATOM 0 HG21 VAL A 82 1.717 15.202 -0.280 1.00 0.00 H new ATOM 0 HG22 VAL A 82 1.561 16.100 1.248 1.00 0.00 H new ATOM 0 HG23 VAL A 82 1.850 14.344 1.273 1.00 0.00 H new ATOM 1240 N GLU A 83 0.194 17.033 2.708 1.00 0.00 N ATOM 1241 CA GLU A 83 0.143 18.409 3.188 1.00 0.00 C ATOM 1242 C GLU A 83 -1.247 19.005 2.986 1.00 0.00 C ATOM 1243 O GLU A 83 -1.993 19.205 3.944 1.00 0.00 O ATOM 1244 CB GLU A 83 1.186 19.263 2.464 1.00 0.00 C ATOM 1245 CG GLU A 83 1.548 18.742 1.084 1.00 0.00 C ATOM 1246 CD GLU A 83 1.942 19.850 0.127 1.00 0.00 C ATOM 1247 OE1 GLU A 83 2.860 20.627 0.465 1.00 0.00 O ATOM 1248 OE2 GLU A 83 1.333 19.942 -0.959 1.00 0.00 O ATOM 0 H GLU A 83 1.114 16.732 2.386 1.00 0.00 H new ATOM 0 HA GLU A 83 0.365 18.403 4.255 1.00 0.00 H new ATOM 0 HB2 GLU A 83 0.808 20.281 2.371 1.00 0.00 H new ATOM 0 HB3 GLU A 83 2.089 19.312 3.073 1.00 0.00 H new ATOM 0 HG2 GLU A 83 2.371 18.033 1.172 1.00 0.00 H new ATOM 0 HG3 GLU A 83 0.700 18.196 0.672 1.00 0.00 H new ATOM 1255 N ALA A 84 -1.587 19.287 1.733 1.00 0.00 N ATOM 1256 CA ALA A 84 -2.887 19.858 1.404 1.00 0.00 C ATOM 1257 C ALA A 84 -3.679 18.931 0.488 1.00 0.00 C ATOM 1258 O ALA A 84 -4.905 18.857 0.574 1.00 0.00 O ATOM 1259 CB ALA A 84 -2.715 21.223 0.755 1.00 0.00 C ATOM 0 H ALA A 84 -0.980 19.129 0.929 1.00 0.00 H new ATOM 0 HA ALA A 84 -3.449 19.976 2.331 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -3.694 21.638 0.515 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -2.197 21.891 1.444 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -2.130 21.120 -0.159 1.00 0.00 H new ATOM 1265 N SER A 85 -2.971 18.226 -0.388 1.00 0.00 N ATOM 1266 CA SER A 85 -3.608 17.306 -1.323 1.00 0.00 C ATOM 1267 C SER A 85 -3.927 15.977 -0.646 1.00 0.00 C ATOM 1268 O SER A 85 -3.739 15.820 0.561 1.00 0.00 O ATOM 1269 CB SER A 85 -2.705 17.070 -2.535 1.00 0.00 C ATOM 1270 OG SER A 85 -2.881 18.087 -3.507 1.00 0.00 O ATOM 0 H SER A 85 -1.955 18.274 -0.470 1.00 0.00 H new ATOM 0 HA SER A 85 -4.542 17.757 -1.657 1.00 0.00 H new ATOM 0 HB2 SER A 85 -1.663 17.043 -2.217 1.00 0.00 H new ATOM 0 HB3 SER A 85 -2.929 16.098 -2.976 1.00 0.00 H new ATOM 0 HG SER A 85 -2.292 17.915 -4.271 1.00 0.00 H new ATOM 1276 N LYS A 86 -4.410 15.021 -1.431 1.00 0.00 N ATOM 1277 CA LYS A 86 -4.755 13.703 -0.911 1.00 0.00 C ATOM 1278 C LYS A 86 -5.184 12.768 -2.037 1.00 0.00 C ATOM 1279 O LYS A 86 -5.739 13.208 -3.044 1.00 0.00 O ATOM 1280 CB LYS A 86 -5.875 13.818 0.125 1.00 0.00 C ATOM 1281 CG LYS A 86 -6.543 12.493 0.449 1.00 0.00 C ATOM 1282 CD LYS A 86 -7.873 12.697 1.155 1.00 0.00 C ATOM 1283 CE LYS A 86 -9.022 12.788 0.163 1.00 0.00 C ATOM 1284 NZ LYS A 86 -10.135 13.632 0.679 1.00 0.00 N ATOM 0 H LYS A 86 -4.572 15.134 -2.432 1.00 0.00 H new ATOM 0 HA LYS A 86 -3.868 13.285 -0.434 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -5.468 14.244 1.042 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -6.628 14.515 -0.243 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -6.701 11.930 -0.471 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -5.883 11.896 1.079 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -8.051 11.872 1.844 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -7.833 13.608 1.752 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -8.658 13.202 -0.777 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -9.395 11.787 -0.053 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -10.898 13.669 -0.026 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -10.500 13.223 1.563 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -9.785 14.594 0.861 1.00 0.00 H new ATOM 1298 N SER A 87 -4.924 11.477 -1.860 1.00 0.00 N ATOM 1299 CA SER A 87 -5.282 10.480 -2.862 1.00 0.00 C ATOM 1300 C SER A 87 -6.176 9.401 -2.260 1.00 0.00 C ATOM 1301 O SER A 87 -6.244 9.242 -1.041 1.00 0.00 O ATOM 1302 CB SER A 87 -4.021 9.844 -3.452 1.00 0.00 C ATOM 1303 OG SER A 87 -4.341 8.986 -4.533 1.00 0.00 O ATOM 0 H SER A 87 -4.466 11.097 -1.032 1.00 0.00 H new ATOM 0 HA SER A 87 -5.834 10.982 -3.657 1.00 0.00 H new ATOM 0 HB2 SER A 87 -3.341 10.625 -3.792 1.00 0.00 H new ATOM 0 HB3 SER A 87 -3.498 9.281 -2.679 1.00 0.00 H new ATOM 0 HG SER A 87 -4.496 8.079 -4.196 1.00 0.00 H new ATOM 1309 N THR A 88 -6.862 8.659 -3.125 1.00 0.00 N ATOM 1310 CA THR A 88 -7.753 7.595 -2.681 1.00 0.00 C ATOM 1311 C THR A 88 -7.731 6.419 -3.649 1.00 0.00 C ATOM 1312 O THR A 88 -7.866 6.596 -4.860 1.00 0.00 O ATOM 1313 CB THR A 88 -9.202 8.099 -2.537 1.00 0.00 C ATOM 1314 OG1 THR A 88 -9.235 9.265 -1.706 1.00 0.00 O ATOM 1315 CG2 THR A 88 -10.094 7.020 -1.942 1.00 0.00 C ATOM 0 H THR A 88 -6.817 8.776 -4.137 1.00 0.00 H new ATOM 0 HA THR A 88 -7.391 7.267 -1.707 1.00 0.00 H new ATOM 0 HB THR A 88 -9.576 8.350 -3.529 1.00 0.00 H new ATOM 0 HG1 THR A 88 -10.159 9.580 -1.621 1.00 0.00 H new ATOM 0 HG21 THR A 88 -11.112 7.399 -1.850 1.00 0.00 H new ATOM 0 HG22 THR A 88 -10.090 6.145 -2.592 1.00 0.00 H new ATOM 0 HG23 THR A 88 -9.720 6.741 -0.957 1.00 0.00 H new ATOM 1323 N ALA A 89 -7.558 5.217 -3.109 1.00 0.00 N ATOM 1324 CA ALA A 89 -7.521 4.010 -3.926 1.00 0.00 C ATOM 1325 C ALA A 89 -8.404 2.918 -3.333 1.00 0.00 C ATOM 1326 O ALA A 89 -9.053 3.120 -2.307 1.00 0.00 O ATOM 1327 CB ALA A 89 -6.089 3.515 -4.070 1.00 0.00 C ATOM 0 H ALA A 89 -7.441 5.053 -2.109 1.00 0.00 H new ATOM 0 HA ALA A 89 -7.910 4.257 -4.914 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -6.076 2.613 -4.682 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -5.484 4.286 -4.546 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -5.681 3.291 -3.085 1.00 0.00 H new ATOM 1333 N SER A 90 -8.424 1.760 -3.986 1.00 0.00 N ATOM 1334 CA SER A 90 -9.232 0.637 -3.525 1.00 0.00 C ATOM 1335 C SER A 90 -8.570 -0.691 -3.883 1.00 0.00 C ATOM 1336 O SER A 90 -8.544 -1.091 -5.048 1.00 0.00 O ATOM 1337 CB SER A 90 -10.632 0.703 -4.137 1.00 0.00 C ATOM 1338 OG SER A 90 -11.355 1.815 -3.639 1.00 0.00 O ATOM 0 H SER A 90 -7.890 1.575 -4.835 1.00 0.00 H new ATOM 0 HA SER A 90 -9.315 0.702 -2.440 1.00 0.00 H new ATOM 0 HB2 SER A 90 -10.555 0.772 -5.222 1.00 0.00 H new ATOM 0 HB3 SER A 90 -11.173 -0.216 -3.914 1.00 0.00 H new ATOM 0 HG SER A 90 -12.246 1.835 -4.047 1.00 0.00 H new ATOM 1344 N LEU A 91 -8.036 -1.369 -2.873 1.00 0.00 N ATOM 1345 CA LEU A 91 -7.374 -2.653 -3.079 1.00 0.00 C ATOM 1346 C LEU A 91 -8.392 -3.753 -3.360 1.00 0.00 C ATOM 1347 O LEU A 91 -9.504 -3.733 -2.831 1.00 0.00 O ATOM 1348 CB LEU A 91 -6.535 -3.019 -1.854 1.00 0.00 C ATOM 1349 CG LEU A 91 -6.014 -4.455 -1.802 1.00 0.00 C ATOM 1350 CD1 LEU A 91 -5.147 -4.753 -3.015 1.00 0.00 C ATOM 1351 CD2 LEU A 91 -5.235 -4.694 -0.516 1.00 0.00 C ATOM 0 H LEU A 91 -8.048 -1.051 -1.904 1.00 0.00 H new ATOM 0 HA LEU A 91 -6.719 -2.561 -3.946 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -5.682 -2.342 -1.808 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -7.134 -2.838 -0.961 1.00 0.00 H new ATOM 0 HG LEU A 91 -6.869 -5.131 -1.817 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -4.785 -5.780 -2.960 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -5.735 -4.623 -3.923 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -4.298 -4.070 -3.032 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -4.872 -5.721 -0.496 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -4.388 -4.009 -0.471 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -5.886 -4.523 0.341 1.00 0.00 H new ATOM 1363 N HIS A 92 -8.005 -4.713 -4.193 1.00 0.00 N ATOM 1364 CA HIS A 92 -8.884 -5.824 -4.541 1.00 0.00 C ATOM 1365 C HIS A 92 -8.185 -7.161 -4.314 1.00 0.00 C ATOM 1366 O HIS A 92 -6.993 -7.304 -4.586 1.00 0.00 O ATOM 1367 CB HIS A 92 -9.332 -5.710 -5.999 1.00 0.00 C ATOM 1368 CG HIS A 92 -10.091 -4.453 -6.295 1.00 0.00 C ATOM 1369 ND1 HIS A 92 -11.372 -4.223 -5.842 1.00 0.00 N ATOM 1370 CD2 HIS A 92 -9.740 -3.354 -7.003 1.00 0.00 C ATOM 1371 CE1 HIS A 92 -11.779 -3.037 -6.260 1.00 0.00 C ATOM 1372 NE2 HIS A 92 -10.807 -2.489 -6.966 1.00 0.00 N ATOM 0 H HIS A 92 -7.089 -4.744 -4.640 1.00 0.00 H new ATOM 0 HA HIS A 92 -9.761 -5.778 -3.895 1.00 0.00 H new ATOM 0 HB2 HIS A 92 -8.455 -5.756 -6.645 1.00 0.00 H new ATOM 0 HB3 HIS A 92 -9.956 -6.569 -6.247 1.00 0.00 H new ATOM 0 HD2 HIS A 92 -8.797 -3.188 -7.503 1.00 0.00 H new ATOM 0 HE1 HIS A 92 -12.742 -2.592 -6.058 1.00 0.00 H new ATOM 0 HE2 HIS A 92 -10.842 -1.572 -7.412 1.00 0.00 H new ATOM 1381 N VAL A 93 -8.935 -8.138 -3.814 1.00 0.00 N ATOM 1382 CA VAL A 93 -8.388 -9.464 -3.551 1.00 0.00 C ATOM 1383 C VAL A 93 -9.444 -10.544 -3.756 1.00 0.00 C ATOM 1384 O VAL A 93 -10.570 -10.424 -3.274 1.00 0.00 O ATOM 1385 CB VAL A 93 -7.834 -9.568 -2.118 1.00 0.00 C ATOM 1386 CG1 VAL A 93 -8.700 -8.775 -1.151 1.00 0.00 C ATOM 1387 CG2 VAL A 93 -7.736 -11.024 -1.689 1.00 0.00 C ATOM 0 H VAL A 93 -9.923 -8.036 -3.583 1.00 0.00 H new ATOM 0 HA VAL A 93 -7.574 -9.617 -4.259 1.00 0.00 H new ATOM 0 HB VAL A 93 -6.831 -9.141 -2.103 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -8.293 -8.861 -0.144 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -8.713 -7.727 -1.449 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -9.716 -9.169 -1.166 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -7.343 -11.079 -0.674 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -8.726 -11.480 -1.720 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -7.069 -11.559 -2.366 1.00 0.00 H new ATOM 1397 N GLU A 94 -9.072 -11.599 -4.473 1.00 0.00 N ATOM 1398 CA GLU A 94 -9.988 -12.702 -4.741 1.00 0.00 C ATOM 1399 C GLU A 94 -9.249 -14.037 -4.735 1.00 0.00 C ATOM 1400 O GLU A 94 -8.204 -14.182 -5.367 1.00 0.00 O ATOM 1401 CB GLU A 94 -10.685 -12.499 -6.088 1.00 0.00 C ATOM 1402 CG GLU A 94 -11.776 -11.441 -6.056 1.00 0.00 C ATOM 1403 CD GLU A 94 -12.710 -11.530 -7.246 1.00 0.00 C ATOM 1404 OE1 GLU A 94 -12.214 -11.527 -8.392 1.00 0.00 O ATOM 1405 OE2 GLU A 94 -13.938 -11.603 -7.032 1.00 0.00 O ATOM 0 H GLU A 94 -8.143 -11.714 -4.879 1.00 0.00 H new ATOM 0 HA GLU A 94 -10.738 -12.718 -3.950 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -9.941 -12.219 -6.834 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -11.118 -13.446 -6.410 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -12.353 -11.547 -5.137 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -11.318 -10.452 -6.032 1.00 0.00 H new ATOM 1412 N GLU A 95 -9.801 -15.009 -4.015 1.00 0.00 N ATOM 1413 CA GLU A 95 -9.194 -16.331 -3.925 1.00 0.00 C ATOM 1414 C GLU A 95 -9.566 -17.184 -5.134 1.00 0.00 C ATOM 1415 O GLU A 95 -10.568 -16.931 -5.803 1.00 0.00 O ATOM 1416 CB GLU A 95 -9.634 -17.033 -2.638 1.00 0.00 C ATOM 1417 CG GLU A 95 -8.623 -18.039 -2.117 1.00 0.00 C ATOM 1418 CD GLU A 95 -9.256 -19.101 -1.238 1.00 0.00 C ATOM 1419 OE1 GLU A 95 -10.261 -19.704 -1.667 1.00 0.00 O ATOM 1420 OE2 GLU A 95 -8.744 -19.328 -0.122 1.00 0.00 O ATOM 0 H GLU A 95 -10.667 -14.905 -3.486 1.00 0.00 H new ATOM 0 HA GLU A 95 -8.111 -16.205 -3.910 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -9.816 -16.282 -1.869 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -10.581 -17.542 -2.817 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -8.126 -18.519 -2.960 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -7.854 -17.515 -1.550 1.00 0.00 H new ATOM 1427 N LYS A 96 -8.751 -18.196 -5.410 1.00 0.00 N ATOM 1428 CA LYS A 96 -8.992 -19.088 -6.538 1.00 0.00 C ATOM 1429 C LYS A 96 -10.137 -20.049 -6.236 1.00 0.00 C ATOM 1430 O LYS A 96 -10.207 -20.625 -5.151 1.00 0.00 O ATOM 1431 CB LYS A 96 -7.724 -19.878 -6.871 1.00 0.00 C ATOM 1432 CG LYS A 96 -7.286 -20.820 -5.763 1.00 0.00 C ATOM 1433 CD LYS A 96 -6.199 -21.771 -6.237 1.00 0.00 C ATOM 1434 CE LYS A 96 -6.784 -22.952 -6.996 1.00 0.00 C ATOM 1435 NZ LYS A 96 -7.140 -24.075 -6.085 1.00 0.00 N ATOM 0 H LYS A 96 -7.917 -18.419 -4.867 1.00 0.00 H new ATOM 0 HA LYS A 96 -9.269 -18.478 -7.398 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -7.893 -20.454 -7.781 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -6.915 -19.179 -7.083 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -6.920 -20.241 -4.915 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -8.144 -21.393 -5.411 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -5.500 -21.235 -6.879 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -5.632 -22.133 -5.380 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -7.672 -22.630 -7.540 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -6.065 -23.300 -7.737 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -7.535 -24.861 -6.640 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -6.288 -24.399 -5.584 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -7.846 -23.751 -5.393 1.00 0.00 H new ATOM 1449 N ALA A 97 -11.033 -20.218 -7.204 1.00 0.00 N ATOM 1450 CA ALA A 97 -12.173 -21.112 -7.043 1.00 0.00 C ATOM 1451 C ALA A 97 -12.615 -21.686 -8.384 1.00 0.00 C ATOM 1452 O ALA A 97 -12.890 -20.943 -9.327 1.00 0.00 O ATOM 1453 CB ALA A 97 -13.327 -20.380 -6.373 1.00 0.00 C ATOM 0 H ALA A 97 -10.991 -19.747 -8.108 1.00 0.00 H new ATOM 0 HA ALA A 97 -11.865 -21.942 -6.407 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -14.172 -21.059 -6.259 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -13.012 -20.025 -5.392 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -13.625 -19.531 -6.988 1.00 0.00 H new ATOM 1459 N SER A 98 -12.681 -23.011 -8.464 1.00 0.00 N ATOM 1460 CA SER A 98 -13.085 -23.684 -9.692 1.00 0.00 C ATOM 1461 C SER A 98 -14.578 -23.500 -9.946 1.00 0.00 C ATOM 1462 O SER A 98 -15.380 -24.394 -9.679 1.00 0.00 O ATOM 1463 CB SER A 98 -12.749 -25.175 -9.616 1.00 0.00 C ATOM 1464 OG SER A 98 -12.933 -25.803 -10.873 1.00 0.00 O ATOM 0 H SER A 98 -12.460 -23.640 -7.692 1.00 0.00 H new ATOM 0 HA SER A 98 -12.535 -23.237 -10.520 1.00 0.00 H new ATOM 0 HB2 SER A 98 -11.717 -25.302 -9.290 1.00 0.00 H new ATOM 0 HB3 SER A 98 -13.381 -25.656 -8.869 1.00 0.00 H new ATOM 0 HG SER A 98 -12.710 -26.755 -10.799 1.00 0.00 H new ATOM 1470 N GLY A 99 -14.944 -22.331 -10.465 1.00 0.00 N ATOM 1471 CA GLY A 99 -16.340 -22.049 -10.747 1.00 0.00 C ATOM 1472 C GLY A 99 -16.621 -20.564 -10.854 1.00 0.00 C ATOM 1473 O GLY A 99 -15.867 -19.730 -10.353 1.00 0.00 O ATOM 0 H GLY A 99 -14.299 -21.575 -10.695 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -16.625 -22.538 -11.679 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -16.960 -22.477 -9.960 1.00 0.00 H new ATOM 1477 N PRO A 100 -17.730 -20.215 -11.524 1.00 0.00 N ATOM 1478 CA PRO A 100 -18.133 -18.818 -11.713 1.00 0.00 C ATOM 1479 C PRO A 100 -18.594 -18.167 -10.413 1.00 0.00 C ATOM 1480 O PRO A 100 -18.781 -18.843 -9.401 1.00 0.00 O ATOM 1481 CB PRO A 100 -19.296 -18.916 -12.704 1.00 0.00 C ATOM 1482 CG PRO A 100 -19.847 -20.285 -12.507 1.00 0.00 C ATOM 1483 CD PRO A 100 -18.675 -21.156 -12.147 1.00 0.00 C ATOM 0 HA PRO A 100 -17.307 -18.199 -12.063 1.00 0.00 H new ATOM 0 HB2 PRO A 100 -20.050 -18.154 -12.506 1.00 0.00 H new ATOM 0 HB3 PRO A 100 -18.956 -18.770 -13.729 1.00 0.00 H new ATOM 0 HG2 PRO A 100 -20.597 -20.294 -11.716 1.00 0.00 H new ATOM 0 HG3 PRO A 100 -20.335 -20.643 -13.413 1.00 0.00 H new ATOM 0 HD2 PRO A 100 -18.962 -21.952 -11.460 1.00 0.00 H new ATOM 0 HD3 PRO A 100 -18.245 -21.634 -13.027 1.00 0.00 H new ATOM 1491 N SER A 101 -18.777 -16.851 -10.448 1.00 0.00 N ATOM 1492 CA SER A 101 -19.214 -16.108 -9.272 1.00 0.00 C ATOM 1493 C SER A 101 -20.672 -15.681 -9.409 1.00 0.00 C ATOM 1494 O SER A 101 -20.980 -14.687 -10.066 1.00 0.00 O ATOM 1495 CB SER A 101 -18.328 -14.878 -9.061 1.00 0.00 C ATOM 1496 OG SER A 101 -17.077 -15.241 -8.504 1.00 0.00 O ATOM 0 H SER A 101 -18.629 -16.277 -11.278 1.00 0.00 H new ATOM 0 HA SER A 101 -19.126 -16.764 -8.406 1.00 0.00 H new ATOM 0 HB2 SER A 101 -18.172 -14.370 -10.013 1.00 0.00 H new ATOM 0 HB3 SER A 101 -18.832 -14.171 -8.402 1.00 0.00 H new ATOM 0 HG SER A 101 -16.529 -14.438 -8.380 1.00 0.00 H new ATOM 1502 N SER A 102 -21.566 -16.441 -8.784 1.00 0.00 N ATOM 1503 CA SER A 102 -22.992 -16.145 -8.838 1.00 0.00 C ATOM 1504 C SER A 102 -23.295 -14.803 -8.177 1.00 0.00 C ATOM 1505 O SER A 102 -23.942 -13.940 -8.768 1.00 0.00 O ATOM 1506 CB SER A 102 -23.792 -17.255 -8.154 1.00 0.00 C ATOM 1507 OG SER A 102 -23.622 -17.213 -6.748 1.00 0.00 O ATOM 0 H SER A 102 -21.327 -17.266 -8.234 1.00 0.00 H new ATOM 0 HA SER A 102 -23.286 -16.088 -9.886 1.00 0.00 H new ATOM 0 HB2 SER A 102 -24.849 -17.150 -8.399 1.00 0.00 H new ATOM 0 HB3 SER A 102 -23.472 -18.225 -8.533 1.00 0.00 H new ATOM 0 HG SER A 102 -24.145 -17.931 -6.334 1.00 0.00 H new ATOM 1513 N GLY A 103 -22.820 -14.637 -6.946 1.00 0.00 N ATOM 1514 CA GLY A 103 -23.050 -13.400 -6.224 1.00 0.00 C ATOM 1515 C GLY A 103 -23.813 -13.615 -4.932 1.00 0.00 C ATOM 1516 O GLY A 103 -23.359 -14.340 -4.048 1.00 0.00 O ATOM 0 H GLY A 103 -22.280 -15.337 -6.437 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -22.092 -12.929 -6.002 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -23.605 -12.710 -6.859 1.00 0.00 H new TER 1520 GLY A 103