USER MOD reduce.3.24.130724 H: found=0, std=0, add=768, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 766 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 38 HIS : no HD1:sc= -0.0337 K(o=-2.9,f=-3.7) USER MOD Set 1.2: A 68 HIS :FLIP no HD1:sc= -2.84 F(o=-3.6!,f=-2.9) USER MOD Set 2.1: A 16 HIS :FLIP no HD1:sc= -2.27 F(o=-3.7!,f=-2.9) USER MOD Set 2.2: A 64 GLN :FLIP amide:sc= -0.623 F(o=-3.7,f=-2.9) USER MOD Set 3.1: A 8 MET CE :methyl 156:sc= -0.427 (180deg=-0.523) USER MOD Set 3.2: A 52 THR OG1 : rot 131:sc= 0 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 134:sc= 0.231 USER MOD Single : A 6 SER OG : rot 37:sc= 0.241 USER MOD Single : A 13 ASN : amide:sc= 0 X(o=0,f=-0.031) USER MOD Single : A 17 GLN : amide:sc= 0 X(o=0,f=-0.03) USER MOD Single : A 18 GLN : amide:sc= -0.879 K(o=-0.88,f=-1.8!) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 CYS SG : rot 170:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 THR OG1 : rot 3:sc= 0.466 USER MOD Single : A 43 THR OG1 : rot 73:sc= 0.78 USER MOD Single : A 44 TYR OH : rot 130:sc= -0.0092 USER MOD Single : A 46 SER OG : rot 81:sc= 0.0135 USER MOD Single : A 49 MET CE :methyl 156:sc= -5.11! (180deg=-6.31!) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 56 GLN : amide:sc= -0.388 K(o=-0.39,f=-2.3) USER MOD Single : A 58 HIS : no HD1:sc= -3.02 K(o=-3,f=-4.2!) USER MOD Single : A 60 SER OG : rot -170:sc= 0 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 69 MET CE :methyl -176:sc= -0.981 (180deg=-1.07) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 GLN : amide:sc= -0.48 X(o=-0.48,f=-0.48) USER MOD Single : A 76 GLN : amide:sc= -1.3 X(o=-1.3,f=-1.8!) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 LYS NZ :NH3+ -116:sc= -1.29 (180deg=-2.78!) USER MOD Single : A 91 HIS : no HD1:sc= 0 X(o=0,f=-0.037) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 2.240 25.238 21.021 1.00 0.00 N ATOM 2 CA GLY A 1 1.029 24.440 20.969 1.00 0.00 C ATOM 3 C GLY A 1 0.010 24.995 19.993 1.00 0.00 C ATOM 4 O GLY A 1 -0.855 25.784 20.371 1.00 0.00 O ATOM 0 H1 GLY A 1 2.904 24.817 21.702 1.00 0.00 H new ATOM 0 H2 GLY A 1 2.680 25.263 20.079 1.00 0.00 H new ATOM 0 H3 GLY A 1 2.005 26.206 21.320 1.00 0.00 H new ATOM 0 HA2 GLY A 1 1.282 23.419 20.683 1.00 0.00 H new ATOM 0 HA3 GLY A 1 0.586 24.392 21.964 1.00 0.00 H new ATOM 8 N SER A 2 0.114 24.583 18.733 1.00 0.00 N ATOM 9 CA SER A 2 -0.802 25.048 17.699 1.00 0.00 C ATOM 10 C SER A 2 -1.809 23.961 17.336 1.00 0.00 C ATOM 11 O SER A 2 -1.482 22.775 17.325 1.00 0.00 O ATOM 12 CB SER A 2 -0.024 25.475 16.453 1.00 0.00 C ATOM 13 OG SER A 2 0.694 24.384 15.902 1.00 0.00 O ATOM 0 H SER A 2 0.824 23.928 18.404 1.00 0.00 H new ATOM 0 HA SER A 2 -1.347 25.907 18.091 1.00 0.00 H new ATOM 0 HB2 SER A 2 -0.713 25.874 15.709 1.00 0.00 H new ATOM 0 HB3 SER A 2 0.668 26.277 16.709 1.00 0.00 H new ATOM 0 HG SER A 2 1.182 24.682 15.106 1.00 0.00 H new ATOM 19 N SER A 3 -3.037 24.376 17.039 1.00 0.00 N ATOM 20 CA SER A 3 -4.094 23.438 16.680 1.00 0.00 C ATOM 21 C SER A 3 -4.915 23.969 15.508 1.00 0.00 C ATOM 22 O SER A 3 -5.059 25.178 15.333 1.00 0.00 O ATOM 23 CB SER A 3 -5.006 23.180 17.880 1.00 0.00 C ATOM 24 OG SER A 3 -5.928 22.139 17.606 1.00 0.00 O ATOM 0 H SER A 3 -3.324 25.355 17.040 1.00 0.00 H new ATOM 0 HA SER A 3 -3.627 22.500 16.380 1.00 0.00 H new ATOM 0 HB2 SER A 3 -4.403 22.916 18.749 1.00 0.00 H new ATOM 0 HB3 SER A 3 -5.547 24.092 18.132 1.00 0.00 H new ATOM 0 HG SER A 3 -6.498 21.992 18.389 1.00 0.00 H new ATOM 30 N GLY A 4 -5.451 23.053 14.706 1.00 0.00 N ATOM 31 CA GLY A 4 -6.251 23.447 13.561 1.00 0.00 C ATOM 32 C GLY A 4 -5.727 22.867 12.262 1.00 0.00 C ATOM 33 O GLY A 4 -4.942 21.919 12.269 1.00 0.00 O ATOM 0 H GLY A 4 -5.345 22.046 14.829 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -7.280 23.122 13.712 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -6.267 24.535 13.490 1.00 0.00 H new ATOM 37 N SER A 5 -6.164 23.436 11.143 1.00 0.00 N ATOM 38 CA SER A 5 -5.739 22.966 9.830 1.00 0.00 C ATOM 39 C SER A 5 -4.593 23.818 9.293 1.00 0.00 C ATOM 40 O SER A 5 -4.640 25.047 9.345 1.00 0.00 O ATOM 41 CB SER A 5 -6.913 22.995 8.850 1.00 0.00 C ATOM 42 OG SER A 5 -7.076 24.286 8.286 1.00 0.00 O ATOM 0 H SER A 5 -6.812 24.223 11.120 1.00 0.00 H new ATOM 0 HA SER A 5 -5.388 21.940 9.935 1.00 0.00 H new ATOM 0 HB2 SER A 5 -6.746 22.267 8.056 1.00 0.00 H new ATOM 0 HB3 SER A 5 -7.828 22.702 9.365 1.00 0.00 H new ATOM 0 HG SER A 5 -7.195 24.207 7.317 1.00 0.00 H new ATOM 48 N SER A 6 -3.563 23.155 8.777 1.00 0.00 N ATOM 49 CA SER A 6 -2.401 23.849 8.234 1.00 0.00 C ATOM 50 C SER A 6 -1.505 22.886 7.461 1.00 0.00 C ATOM 51 O SER A 6 -0.953 21.944 8.027 1.00 0.00 O ATOM 52 CB SER A 6 -1.605 24.513 9.359 1.00 0.00 C ATOM 53 OG SER A 6 -1.319 23.589 10.395 1.00 0.00 O ATOM 0 H SER A 6 -3.509 22.138 8.724 1.00 0.00 H new ATOM 0 HA SER A 6 -2.756 24.618 7.548 1.00 0.00 H new ATOM 0 HB2 SER A 6 -0.674 24.917 8.961 1.00 0.00 H new ATOM 0 HB3 SER A 6 -2.171 25.353 9.762 1.00 0.00 H new ATOM 0 HG SER A 6 -1.129 22.710 10.006 1.00 0.00 H new ATOM 59 N GLY A 7 -1.366 23.131 6.161 1.00 0.00 N ATOM 60 CA GLY A 7 -0.537 22.279 5.330 1.00 0.00 C ATOM 61 C GLY A 7 -1.024 22.216 3.896 1.00 0.00 C ATOM 62 O GLY A 7 -0.967 23.208 3.171 1.00 0.00 O ATOM 0 H GLY A 7 -1.813 23.905 5.669 1.00 0.00 H new ATOM 0 HA2 GLY A 7 0.489 22.648 5.346 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -0.520 21.273 5.749 1.00 0.00 H new ATOM 66 N MET A 8 -1.501 21.045 3.486 1.00 0.00 N ATOM 67 CA MET A 8 -2.000 20.857 2.128 1.00 0.00 C ATOM 68 C MET A 8 -3.525 20.865 2.103 1.00 0.00 C ATOM 69 O MET A 8 -4.139 21.753 1.512 1.00 0.00 O ATOM 70 CB MET A 8 -1.476 19.542 1.547 1.00 0.00 C ATOM 71 CG MET A 8 -0.148 19.685 0.822 1.00 0.00 C ATOM 72 SD MET A 8 -0.226 20.860 -0.545 1.00 0.00 S ATOM 73 CE MET A 8 1.157 20.311 -1.542 1.00 0.00 C ATOM 0 H MET A 8 -1.553 20.213 4.074 1.00 0.00 H new ATOM 0 HA MET A 8 -1.640 21.685 1.517 1.00 0.00 H new ATOM 0 HB2 MET A 8 -1.364 18.817 2.353 1.00 0.00 H new ATOM 0 HB3 MET A 8 -2.216 19.139 0.856 1.00 0.00 H new ATOM 0 HG2 MET A 8 0.615 20.007 1.530 1.00 0.00 H new ATOM 0 HG3 MET A 8 0.161 18.711 0.442 1.00 0.00 H new ATOM 0 HE1 MET A 8 1.004 20.618 -2.577 1.00 0.00 H new ATOM 0 HE2 MET A 8 2.077 20.756 -1.164 1.00 0.00 H new ATOM 0 HE3 MET A 8 1.232 19.225 -1.493 1.00 0.00 H new ATOM 83 N GLU A 9 -4.129 19.872 2.747 1.00 0.00 N ATOM 84 CA GLU A 9 -5.582 19.766 2.796 1.00 0.00 C ATOM 85 C GLU A 9 -6.166 19.633 1.393 1.00 0.00 C ATOM 86 O GLU A 9 -7.165 20.270 1.061 1.00 0.00 O ATOM 87 CB GLU A 9 -6.181 20.987 3.496 1.00 0.00 C ATOM 88 CG GLU A 9 -5.734 21.142 4.940 1.00 0.00 C ATOM 89 CD GLU A 9 -6.096 22.494 5.522 1.00 0.00 C ATOM 90 OE1 GLU A 9 -7.295 22.728 5.779 1.00 0.00 O ATOM 91 OE2 GLU A 9 -5.179 23.319 5.719 1.00 0.00 O ATOM 0 H GLU A 9 -3.635 19.130 3.242 1.00 0.00 H new ATOM 0 HA GLU A 9 -5.836 18.870 3.363 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -5.906 21.884 2.941 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -7.268 20.915 3.467 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -6.190 20.357 5.544 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -4.655 21.003 4.999 1.00 0.00 H new ATOM 98 N GLY A 10 -5.533 18.801 0.571 1.00 0.00 N ATOM 99 CA GLY A 10 -6.003 18.600 -0.787 1.00 0.00 C ATOM 100 C GLY A 10 -5.499 17.303 -1.389 1.00 0.00 C ATOM 101 O GLY A 10 -6.206 16.296 -1.429 1.00 0.00 O ATOM 0 H GLY A 10 -4.703 18.263 0.822 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -7.093 18.601 -0.795 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -5.679 19.435 -1.408 1.00 0.00 H new ATOM 105 N PRO A 11 -4.248 17.317 -1.873 1.00 0.00 N ATOM 106 CA PRO A 11 -3.622 16.142 -2.486 1.00 0.00 C ATOM 107 C PRO A 11 -3.320 15.048 -1.466 1.00 0.00 C ATOM 108 O PRO A 11 -2.877 13.956 -1.825 1.00 0.00 O ATOM 109 CB PRO A 11 -2.323 16.697 -3.075 1.00 0.00 C ATOM 110 CG PRO A 11 -2.017 17.900 -2.250 1.00 0.00 C ATOM 111 CD PRO A 11 -3.347 18.483 -1.858 1.00 0.00 C ATOM 0 HA PRO A 11 -4.273 15.672 -3.223 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -1.518 15.964 -3.020 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -2.445 16.958 -4.126 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -1.434 17.631 -1.369 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -1.426 18.621 -2.815 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -3.307 18.948 -0.873 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -3.672 19.251 -2.560 1.00 0.00 H new ATOM 119 N LEU A 12 -3.563 15.348 -0.195 1.00 0.00 N ATOM 120 CA LEU A 12 -3.317 14.390 0.877 1.00 0.00 C ATOM 121 C LEU A 12 -4.427 13.345 0.939 1.00 0.00 C ATOM 122 O LEU A 12 -4.162 12.144 0.962 1.00 0.00 O ATOM 123 CB LEU A 12 -3.208 15.114 2.220 1.00 0.00 C ATOM 124 CG LEU A 12 -1.885 15.834 2.489 1.00 0.00 C ATOM 125 CD1 LEU A 12 -2.007 16.737 3.706 1.00 0.00 C ATOM 126 CD2 LEU A 12 -0.760 14.827 2.679 1.00 0.00 C ATOM 0 H LEU A 12 -3.930 16.247 0.118 1.00 0.00 H new ATOM 0 HA LEU A 12 -2.376 13.882 0.667 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -4.015 15.844 2.283 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -3.372 14.388 3.016 1.00 0.00 H new ATOM 0 HG LEU A 12 -1.648 16.455 1.625 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -1.057 17.241 3.882 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -2.785 17.480 3.531 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -2.267 16.138 4.579 1.00 0.00 H new ATOM 0 HD21 LEU A 12 0.174 15.356 2.869 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -0.990 14.180 3.526 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -0.657 14.222 1.778 1.00 0.00 H new ATOM 138 N ASN A 13 -5.671 13.812 0.964 1.00 0.00 N ATOM 139 CA ASN A 13 -6.822 12.918 1.021 1.00 0.00 C ATOM 140 C ASN A 13 -6.746 11.863 -0.078 1.00 0.00 C ATOM 141 O ASN A 13 -6.912 10.670 0.179 1.00 0.00 O ATOM 142 CB ASN A 13 -8.121 13.716 0.888 1.00 0.00 C ATOM 143 CG ASN A 13 -9.321 12.959 1.422 1.00 0.00 C ATOM 144 OD1 ASN A 13 -9.353 12.566 2.589 1.00 0.00 O ATOM 145 ND2 ASN A 13 -10.317 12.751 0.569 1.00 0.00 N ATOM 0 H ASN A 13 -5.908 14.804 0.946 1.00 0.00 H new ATOM 0 HA ASN A 13 -6.811 12.413 1.987 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -8.021 14.659 1.425 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -8.287 13.962 -0.161 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -11.151 12.248 0.872 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -10.248 13.094 -0.389 1.00 0.00 H new ATOM 152 N LEU A 14 -6.492 12.309 -1.303 1.00 0.00 N ATOM 153 CA LEU A 14 -6.393 11.403 -2.443 1.00 0.00 C ATOM 154 C LEU A 14 -5.475 10.228 -2.125 1.00 0.00 C ATOM 155 O LEU A 14 -5.817 9.074 -2.380 1.00 0.00 O ATOM 156 CB LEU A 14 -5.875 12.153 -3.671 1.00 0.00 C ATOM 157 CG LEU A 14 -6.938 12.795 -4.564 1.00 0.00 C ATOM 158 CD1 LEU A 14 -6.287 13.652 -5.638 1.00 0.00 C ATOM 159 CD2 LEU A 14 -7.821 11.727 -5.193 1.00 0.00 C ATOM 0 H LEU A 14 -6.351 13.293 -1.533 1.00 0.00 H new ATOM 0 HA LEU A 14 -7.389 11.015 -2.656 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -5.193 12.933 -3.334 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -5.292 11.459 -4.276 1.00 0.00 H new ATOM 0 HG LEU A 14 -7.564 13.438 -3.946 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -7.059 14.100 -6.263 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -5.698 14.440 -5.168 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -5.636 13.031 -6.254 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -8.572 12.201 -5.825 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -7.208 11.058 -5.797 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -8.316 11.156 -4.408 1.00 0.00 H new ATOM 171 N ALA A 15 -4.308 10.530 -1.565 1.00 0.00 N ATOM 172 CA ALA A 15 -3.342 9.498 -1.208 1.00 0.00 C ATOM 173 C ALA A 15 -3.889 8.588 -0.114 1.00 0.00 C ATOM 174 O ALA A 15 -3.651 7.380 -0.120 1.00 0.00 O ATOM 175 CB ALA A 15 -2.032 10.132 -0.764 1.00 0.00 C ATOM 0 H ALA A 15 -4.009 11.481 -1.349 1.00 0.00 H new ATOM 0 HA ALA A 15 -3.157 8.888 -2.092 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -1.320 9.350 -0.500 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -1.625 10.734 -1.577 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -2.211 10.767 0.104 1.00 0.00 H new ATOM 181 N HIS A 16 -4.623 9.176 0.826 1.00 0.00 N ATOM 182 CA HIS A 16 -5.205 8.418 1.928 1.00 0.00 C ATOM 183 C HIS A 16 -6.247 7.428 1.416 1.00 0.00 C ATOM 184 O HIS A 16 -6.276 6.272 1.836 1.00 0.00 O ATOM 185 CB HIS A 16 -5.840 9.364 2.947 1.00 0.00 C ATOM 186 CG HIS A 16 -4.873 10.342 3.541 1.00 0.00 C ATOM 187 ND1 HIS A 16 -3.654 10.750 3.117 1.00 0.00 N flip ATOM 188 CD2 HIS A 16 -5.117 11.023 4.714 1.00 0.00 C flip ATOM 189 CE1 HIS A 16 -3.189 11.662 4.032 1.00 0.00 C flip ATOM 190 NE2 HIS A 16 -4.091 11.809 4.986 1.00 0.00 N flip ATOM 0 H HIS A 16 -4.829 10.175 0.846 1.00 0.00 H new ATOM 0 HA HIS A 16 -4.405 7.858 2.413 1.00 0.00 H new ATOM 0 HB2 HIS A 16 -6.649 9.913 2.466 1.00 0.00 H new ATOM 0 HB3 HIS A 16 -6.287 8.775 3.748 1.00 0.00 H new ATOM 0 HD2 HIS A 16 -6.008 10.929 5.317 1.00 0.00 H new ATOM 0 HE1 HIS A 16 -2.240 12.176 3.980 1.00 0.00 H new ATOM 0 HE2 HIS A 16 -4.009 12.425 5.795 1.00 0.00 H new ATOM 199 N GLN A 17 -7.100 7.891 0.509 1.00 0.00 N ATOM 200 CA GLN A 17 -8.145 7.046 -0.058 1.00 0.00 C ATOM 201 C GLN A 17 -7.583 5.691 -0.473 1.00 0.00 C ATOM 202 O GLN A 17 -8.169 4.650 -0.177 1.00 0.00 O ATOM 203 CB GLN A 17 -8.789 7.735 -1.263 1.00 0.00 C ATOM 204 CG GLN A 17 -9.864 8.741 -0.885 1.00 0.00 C ATOM 205 CD GLN A 17 -10.894 8.934 -1.981 1.00 0.00 C ATOM 206 OE1 GLN A 17 -11.615 8.003 -2.342 1.00 0.00 O ATOM 207 NE2 GLN A 17 -10.969 10.146 -2.517 1.00 0.00 N ATOM 0 H GLN A 17 -7.089 8.846 0.151 1.00 0.00 H new ATOM 0 HA GLN A 17 -8.903 6.885 0.708 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -8.014 8.242 -1.838 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -9.225 6.977 -1.914 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -10.365 8.408 0.024 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -9.396 9.699 -0.658 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -10.352 10.888 -2.187 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -11.644 10.335 -3.258 1.00 0.00 H new ATOM 216 N GLN A 18 -6.445 5.712 -1.159 1.00 0.00 N ATOM 217 CA GLN A 18 -5.805 4.484 -1.615 1.00 0.00 C ATOM 218 C GLN A 18 -5.366 3.627 -0.432 1.00 0.00 C ATOM 219 O GLN A 18 -5.744 2.460 -0.324 1.00 0.00 O ATOM 220 CB GLN A 18 -4.600 4.809 -2.499 1.00 0.00 C ATOM 221 CG GLN A 18 -4.979 5.274 -3.896 1.00 0.00 C ATOM 222 CD GLN A 18 -5.935 4.324 -4.589 1.00 0.00 C ATOM 223 OE1 GLN A 18 -7.138 4.332 -4.325 1.00 0.00 O ATOM 224 NE2 GLN A 18 -5.404 3.497 -5.482 1.00 0.00 N ATOM 0 H GLN A 18 -5.947 6.566 -1.411 1.00 0.00 H new ATOM 0 HA GLN A 18 -6.533 3.920 -2.199 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -4.004 5.584 -2.016 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -3.969 3.924 -2.578 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -5.436 6.262 -3.834 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -4.076 5.377 -4.498 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -4.402 3.524 -5.670 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -5.998 2.834 -5.980 1.00 0.00 H new ATOM 233 N SER A 19 -4.566 4.214 0.452 1.00 0.00 N ATOM 234 CA SER A 19 -4.072 3.503 1.626 1.00 0.00 C ATOM 235 C SER A 19 -5.143 2.573 2.188 1.00 0.00 C ATOM 236 O SER A 19 -4.861 1.430 2.549 1.00 0.00 O ATOM 237 CB SER A 19 -3.627 4.496 2.701 1.00 0.00 C ATOM 238 OG SER A 19 -3.272 3.827 3.898 1.00 0.00 O ATOM 0 H SER A 19 -4.246 5.180 0.378 1.00 0.00 H new ATOM 0 HA SER A 19 -3.216 2.901 1.322 1.00 0.00 H new ATOM 0 HB2 SER A 19 -2.777 5.073 2.338 1.00 0.00 H new ATOM 0 HB3 SER A 19 -4.431 5.204 2.901 1.00 0.00 H new ATOM 0 HG SER A 19 -2.990 4.484 4.568 1.00 0.00 H new ATOM 244 N ARG A 20 -6.372 3.072 2.260 1.00 0.00 N ATOM 245 CA ARG A 20 -7.486 2.288 2.780 1.00 0.00 C ATOM 246 C ARG A 20 -7.658 0.996 1.986 1.00 0.00 C ATOM 247 O ARG A 20 -7.694 -0.095 2.557 1.00 0.00 O ATOM 248 CB ARG A 20 -8.779 3.104 2.732 1.00 0.00 C ATOM 249 CG ARG A 20 -8.925 4.081 3.887 1.00 0.00 C ATOM 250 CD ARG A 20 -10.360 4.562 4.031 1.00 0.00 C ATOM 251 NE ARG A 20 -10.730 5.505 2.979 1.00 0.00 N ATOM 252 CZ ARG A 20 -11.985 5.751 2.619 1.00 0.00 C ATOM 253 NH1 ARG A 20 -12.985 5.126 3.225 1.00 0.00 N ATOM 254 NH2 ARG A 20 -12.241 6.623 1.653 1.00 0.00 N ATOM 0 H ARG A 20 -6.622 4.016 1.965 1.00 0.00 H new ATOM 0 HA ARG A 20 -7.265 2.032 3.816 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -8.816 3.656 1.793 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -9.629 2.422 2.734 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -8.606 3.602 4.813 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -8.268 4.936 3.727 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -11.034 3.706 4.003 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -10.487 5.036 5.004 1.00 0.00 H new ATOM 0 HE ARG A 20 -9.983 6.002 2.494 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -12.791 4.455 3.969 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -13.948 5.316 2.948 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -11.474 7.106 1.185 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -13.205 6.811 1.378 1.00 0.00 H new ATOM 268 N ARG A 21 -7.763 1.126 0.668 1.00 0.00 N ATOM 269 CA ARG A 21 -7.933 -0.030 -0.203 1.00 0.00 C ATOM 270 C ARG A 21 -6.851 -1.073 0.059 1.00 0.00 C ATOM 271 O ARG A 21 -7.143 -2.254 0.238 1.00 0.00 O ATOM 272 CB ARG A 21 -7.896 0.401 -1.671 1.00 0.00 C ATOM 273 CG ARG A 21 -7.635 -0.745 -2.635 1.00 0.00 C ATOM 274 CD ARG A 21 -7.878 -0.326 -4.077 1.00 0.00 C ATOM 275 NE ARG A 21 -7.990 -1.476 -4.970 1.00 0.00 N ATOM 276 CZ ARG A 21 -7.962 -1.383 -6.295 1.00 0.00 C ATOM 277 NH1 ARG A 21 -7.825 -0.200 -6.877 1.00 0.00 N ATOM 278 NH2 ARG A 21 -8.069 -2.476 -7.040 1.00 0.00 N ATOM 0 H ARG A 21 -7.733 2.021 0.180 1.00 0.00 H new ATOM 0 HA ARG A 21 -8.903 -0.477 0.014 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -8.845 0.871 -1.927 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -7.121 1.157 -1.800 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -6.607 -1.089 -2.523 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -8.282 -1.586 -2.385 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -8.791 0.267 -4.133 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -7.061 0.314 -4.411 1.00 0.00 H new ATOM 0 HE ARG A 21 -8.095 -2.401 -4.554 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -7.741 0.642 -6.307 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -7.804 -0.132 -7.894 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -8.173 -3.388 -6.595 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -8.047 -2.404 -8.057 1.00 0.00 H new ATOM 292 N ALA A 22 -5.599 -0.626 0.082 1.00 0.00 N ATOM 293 CA ALA A 22 -4.473 -1.519 0.324 1.00 0.00 C ATOM 294 C ALA A 22 -4.747 -2.439 1.509 1.00 0.00 C ATOM 295 O ALA A 22 -4.658 -3.661 1.393 1.00 0.00 O ATOM 296 CB ALA A 22 -3.203 -0.716 0.559 1.00 0.00 C ATOM 0 H ALA A 22 -5.340 0.350 -0.064 1.00 0.00 H new ATOM 0 HA ALA A 22 -4.337 -2.140 -0.561 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -2.370 -1.396 0.738 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -2.991 -0.106 -0.319 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -3.337 -0.069 1.426 1.00 0.00 H new ATOM 302 N ASP A 23 -5.081 -1.843 2.649 1.00 0.00 N ATOM 303 CA ASP A 23 -5.368 -2.609 3.856 1.00 0.00 C ATOM 304 C ASP A 23 -6.388 -3.707 3.573 1.00 0.00 C ATOM 305 O ASP A 23 -6.099 -4.893 3.733 1.00 0.00 O ATOM 306 CB ASP A 23 -5.887 -1.686 4.960 1.00 0.00 C ATOM 307 CG ASP A 23 -5.867 -2.347 6.324 1.00 0.00 C ATOM 308 OD1 ASP A 23 -4.781 -2.409 6.938 1.00 0.00 O ATOM 309 OD2 ASP A 23 -6.938 -2.802 6.778 1.00 0.00 O ATOM 0 H ASP A 23 -5.160 -0.832 2.762 1.00 0.00 H new ATOM 0 HA ASP A 23 -4.441 -3.076 4.189 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -5.279 -0.782 4.989 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -6.906 -1.378 4.723 1.00 0.00 H new ATOM 314 N ARG A 24 -7.583 -3.304 3.152 1.00 0.00 N ATOM 315 CA ARG A 24 -8.646 -4.254 2.849 1.00 0.00 C ATOM 316 C ARG A 24 -8.120 -5.406 1.998 1.00 0.00 C ATOM 317 O ARG A 24 -8.577 -6.543 2.122 1.00 0.00 O ATOM 318 CB ARG A 24 -9.795 -3.551 2.122 1.00 0.00 C ATOM 319 CG ARG A 24 -10.670 -2.710 3.037 1.00 0.00 C ATOM 320 CD ARG A 24 -11.726 -3.557 3.731 1.00 0.00 C ATOM 321 NE ARG A 24 -11.208 -4.195 4.939 1.00 0.00 N ATOM 322 CZ ARG A 24 -11.934 -4.986 5.720 1.00 0.00 C ATOM 323 NH1 ARG A 24 -13.201 -5.237 5.422 1.00 0.00 N ATOM 324 NH2 ARG A 24 -11.392 -5.529 6.803 1.00 0.00 N ATOM 0 H ARG A 24 -7.839 -2.326 3.013 1.00 0.00 H new ATOM 0 HA ARG A 24 -9.015 -4.660 3.791 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -9.383 -2.913 1.340 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -10.414 -4.300 1.629 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -10.048 -2.217 3.784 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -11.155 -1.925 2.457 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -12.580 -2.931 3.989 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -12.087 -4.322 3.043 1.00 0.00 H new ATOM 0 HE ARG A 24 -10.236 -4.023 5.196 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -13.621 -4.822 4.590 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -13.756 -5.845 6.024 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -10.417 -5.339 7.036 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -11.950 -6.137 7.403 1.00 0.00 H new ATOM 338 N LEU A 25 -7.159 -5.104 1.133 1.00 0.00 N ATOM 339 CA LEU A 25 -6.570 -6.114 0.260 1.00 0.00 C ATOM 340 C LEU A 25 -5.615 -7.015 1.036 1.00 0.00 C ATOM 341 O LEU A 25 -5.572 -8.227 0.817 1.00 0.00 O ATOM 342 CB LEU A 25 -5.829 -5.445 -0.899 1.00 0.00 C ATOM 343 CG LEU A 25 -6.705 -4.868 -2.012 1.00 0.00 C ATOM 344 CD1 LEU A 25 -5.924 -3.855 -2.834 1.00 0.00 C ATOM 345 CD2 LEU A 25 -7.239 -5.982 -2.901 1.00 0.00 C ATOM 0 H LEU A 25 -6.771 -4.168 1.017 1.00 0.00 H new ATOM 0 HA LEU A 25 -7.377 -6.729 -0.139 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -5.214 -4.641 -0.495 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -5.150 -6.175 -1.340 1.00 0.00 H new ATOM 0 HG LEU A 25 -7.553 -4.358 -1.555 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -6.563 -3.455 -3.621 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -5.591 -3.042 -2.189 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -5.057 -4.341 -3.282 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -7.860 -5.554 -3.688 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -6.405 -6.520 -3.350 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -7.835 -6.671 -2.303 1.00 0.00 H new ATOM 357 N LEU A 26 -4.853 -6.418 1.945 1.00 0.00 N ATOM 358 CA LEU A 26 -3.900 -7.166 2.757 1.00 0.00 C ATOM 359 C LEU A 26 -4.612 -8.222 3.597 1.00 0.00 C ATOM 360 O LEU A 26 -4.080 -9.308 3.828 1.00 0.00 O ATOM 361 CB LEU A 26 -3.118 -6.217 3.666 1.00 0.00 C ATOM 362 CG LEU A 26 -2.590 -6.818 4.969 1.00 0.00 C ATOM 363 CD1 LEU A 26 -1.448 -7.783 4.688 1.00 0.00 C ATOM 364 CD2 LEU A 26 -2.139 -5.719 5.920 1.00 0.00 C ATOM 0 H LEU A 26 -4.876 -5.417 2.139 1.00 0.00 H new ATOM 0 HA LEU A 26 -3.205 -7.670 2.085 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -2.273 -5.821 3.103 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -3.760 -5.372 3.913 1.00 0.00 H new ATOM 0 HG LEU A 26 -3.399 -7.373 5.444 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -1.085 -8.201 5.627 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -1.802 -8.589 4.045 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -0.637 -7.252 4.190 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -1.766 -6.166 6.842 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -1.345 -5.136 5.452 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -2.982 -5.067 6.148 1.00 0.00 H new ATOM 376 N ALA A 27 -5.818 -7.896 4.050 1.00 0.00 N ATOM 377 CA ALA A 27 -6.604 -8.817 4.861 1.00 0.00 C ATOM 378 C ALA A 27 -7.016 -10.044 4.054 1.00 0.00 C ATOM 379 O ALA A 27 -7.013 -11.164 4.565 1.00 0.00 O ATOM 380 CB ALA A 27 -7.832 -8.113 5.419 1.00 0.00 C ATOM 0 H ALA A 27 -6.272 -7.001 3.869 1.00 0.00 H new ATOM 0 HA ALA A 27 -5.983 -9.152 5.691 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -8.410 -8.813 6.023 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -7.519 -7.272 6.038 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -8.448 -7.749 4.597 1.00 0.00 H new ATOM 386 N ALA A 28 -7.372 -9.825 2.793 1.00 0.00 N ATOM 387 CA ALA A 28 -7.785 -10.913 1.915 1.00 0.00 C ATOM 388 C ALA A 28 -6.577 -11.638 1.332 1.00 0.00 C ATOM 389 O ALA A 28 -6.721 -12.561 0.533 1.00 0.00 O ATOM 390 CB ALA A 28 -8.674 -10.383 0.800 1.00 0.00 C ATOM 0 H ALA A 28 -7.383 -8.903 2.356 1.00 0.00 H new ATOM 0 HA ALA A 28 -8.353 -11.629 2.508 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -8.975 -11.206 0.152 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -9.561 -9.918 1.231 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -8.124 -9.644 0.217 1.00 0.00 H new ATOM 396 N GLY A 29 -5.384 -11.212 1.738 1.00 0.00 N ATOM 397 CA GLY A 29 -4.168 -11.831 1.245 1.00 0.00 C ATOM 398 C GLY A 29 -3.763 -11.307 -0.118 1.00 0.00 C ATOM 399 O GLY A 29 -2.863 -11.851 -0.759 1.00 0.00 O ATOM 0 H GLY A 29 -5.239 -10.449 2.399 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -3.360 -11.653 1.954 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -4.310 -12.910 1.188 1.00 0.00 H new ATOM 403 N LYS A 30 -4.429 -10.248 -0.566 1.00 0.00 N ATOM 404 CA LYS A 30 -4.134 -9.650 -1.862 1.00 0.00 C ATOM 405 C LYS A 30 -2.913 -8.741 -1.777 1.00 0.00 C ATOM 406 O LYS A 30 -2.913 -7.633 -2.314 1.00 0.00 O ATOM 407 CB LYS A 30 -5.341 -8.855 -2.366 1.00 0.00 C ATOM 408 CG LYS A 30 -6.548 -9.720 -2.687 1.00 0.00 C ATOM 409 CD LYS A 30 -6.370 -10.461 -4.001 1.00 0.00 C ATOM 410 CE LYS A 30 -7.710 -10.834 -4.617 1.00 0.00 C ATOM 411 NZ LYS A 30 -7.589 -11.988 -5.550 1.00 0.00 N ATOM 0 H LYS A 30 -5.178 -9.786 -0.050 1.00 0.00 H new ATOM 0 HA LYS A 30 -3.917 -10.455 -2.564 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -5.622 -8.120 -1.612 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -5.053 -8.301 -3.260 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -6.707 -10.438 -1.882 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -7.440 -9.096 -2.738 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -5.809 -9.838 -4.698 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -5.781 -11.363 -3.834 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -8.418 -11.080 -3.825 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -8.115 -9.975 -5.152 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -8.523 -12.211 -5.949 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -6.933 -11.745 -6.320 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -7.226 -12.815 -5.034 1.00 0.00 H new ATOM 425 N TYR A 31 -1.873 -9.216 -1.101 1.00 0.00 N ATOM 426 CA TYR A 31 -0.645 -8.445 -0.945 1.00 0.00 C ATOM 427 C TYR A 31 -0.329 -7.661 -2.215 1.00 0.00 C ATOM 428 O TYR A 31 -0.296 -6.431 -2.205 1.00 0.00 O ATOM 429 CB TYR A 31 0.523 -9.370 -0.600 1.00 0.00 C ATOM 430 CG TYR A 31 0.285 -10.211 0.635 1.00 0.00 C ATOM 431 CD1 TYR A 31 0.555 -9.710 1.902 1.00 0.00 C ATOM 432 CD2 TYR A 31 -0.209 -11.505 0.533 1.00 0.00 C ATOM 433 CE1 TYR A 31 0.341 -10.474 3.033 1.00 0.00 C ATOM 434 CE2 TYR A 31 -0.428 -12.276 1.659 1.00 0.00 C ATOM 435 CZ TYR A 31 -0.151 -11.756 2.906 1.00 0.00 C ATOM 436 OH TYR A 31 -0.367 -12.521 4.029 1.00 0.00 O ATOM 0 H TYR A 31 -1.856 -10.132 -0.652 1.00 0.00 H new ATOM 0 HA TYR A 31 -0.792 -7.737 -0.129 1.00 0.00 H new ATOM 0 HB2 TYR A 31 0.716 -10.029 -1.447 1.00 0.00 H new ATOM 0 HB3 TYR A 31 1.420 -8.769 -0.453 1.00 0.00 H new ATOM 0 HD1 TYR A 31 0.939 -8.706 2.005 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -0.426 -11.916 -0.442 1.00 0.00 H new ATOM 0 HE1 TYR A 31 0.558 -10.070 4.011 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -0.814 -13.280 1.563 1.00 0.00 H new ATOM 0 HH TYR A 31 -0.716 -13.398 3.765 1.00 0.00 H new ATOM 446 N GLU A 32 -0.099 -8.384 -3.307 1.00 0.00 N ATOM 447 CA GLU A 32 0.215 -7.756 -4.585 1.00 0.00 C ATOM 448 C GLU A 32 -0.634 -6.506 -4.800 1.00 0.00 C ATOM 449 O GLU A 32 -0.118 -5.389 -4.817 1.00 0.00 O ATOM 450 CB GLU A 32 -0.012 -8.743 -5.732 1.00 0.00 C ATOM 451 CG GLU A 32 0.604 -8.299 -7.048 1.00 0.00 C ATOM 452 CD GLU A 32 0.169 -9.162 -8.217 1.00 0.00 C ATOM 453 OE1 GLU A 32 -0.288 -10.299 -7.977 1.00 0.00 O ATOM 454 OE2 GLU A 32 0.286 -8.699 -9.371 1.00 0.00 O ATOM 0 H GLU A 32 -0.124 -9.403 -3.332 1.00 0.00 H new ATOM 0 HA GLU A 32 1.265 -7.463 -4.569 1.00 0.00 H new ATOM 0 HB2 GLU A 32 0.404 -9.712 -5.454 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -1.084 -8.884 -5.872 1.00 0.00 H new ATOM 0 HG2 GLU A 32 0.327 -7.263 -7.243 1.00 0.00 H new ATOM 0 HG3 GLU A 32 1.690 -8.328 -6.964 1.00 0.00 H new ATOM 461 N GLU A 33 -1.938 -6.704 -4.965 1.00 0.00 N ATOM 462 CA GLU A 33 -2.858 -5.593 -5.180 1.00 0.00 C ATOM 463 C GLU A 33 -2.481 -4.398 -4.308 1.00 0.00 C ATOM 464 O GLU A 33 -2.456 -3.260 -4.774 1.00 0.00 O ATOM 465 CB GLU A 33 -4.294 -6.025 -4.879 1.00 0.00 C ATOM 466 CG GLU A 33 -4.784 -7.163 -5.759 1.00 0.00 C ATOM 467 CD GLU A 33 -6.284 -7.124 -5.982 1.00 0.00 C ATOM 468 OE1 GLU A 33 -6.831 -6.014 -6.149 1.00 0.00 O ATOM 469 OE2 GLU A 33 -6.910 -8.205 -5.990 1.00 0.00 O ATOM 0 H GLU A 33 -2.381 -7.623 -4.954 1.00 0.00 H new ATOM 0 HA GLU A 33 -2.788 -5.294 -6.226 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -4.362 -6.329 -3.835 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -4.956 -5.168 -5.005 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -4.276 -7.117 -6.722 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -4.513 -8.114 -5.301 1.00 0.00 H new ATOM 476 N ALA A 34 -2.190 -4.668 -3.040 1.00 0.00 N ATOM 477 CA ALA A 34 -1.813 -3.616 -2.103 1.00 0.00 C ATOM 478 C ALA A 34 -0.465 -3.008 -2.473 1.00 0.00 C ATOM 479 O ALA A 34 -0.300 -1.788 -2.460 1.00 0.00 O ATOM 480 CB ALA A 34 -1.776 -4.163 -0.683 1.00 0.00 C ATOM 0 H ALA A 34 -2.208 -5.605 -2.638 1.00 0.00 H new ATOM 0 HA ALA A 34 -2.564 -2.828 -2.158 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -1.493 -3.367 0.006 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -2.761 -4.543 -0.414 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -1.047 -4.971 -0.623 1.00 0.00 H new ATOM 486 N ILE A 35 0.496 -3.865 -2.801 1.00 0.00 N ATOM 487 CA ILE A 35 1.829 -3.411 -3.175 1.00 0.00 C ATOM 488 C ILE A 35 1.758 -2.247 -4.157 1.00 0.00 C ATOM 489 O ILE A 35 2.257 -1.156 -3.880 1.00 0.00 O ATOM 490 CB ILE A 35 2.656 -4.549 -3.803 1.00 0.00 C ATOM 491 CG1 ILE A 35 2.842 -5.688 -2.799 1.00 0.00 C ATOM 492 CG2 ILE A 35 4.004 -4.025 -4.274 1.00 0.00 C ATOM 493 CD1 ILE A 35 3.534 -6.900 -3.381 1.00 0.00 C ATOM 0 H ILE A 35 0.376 -4.878 -2.815 1.00 0.00 H new ATOM 0 HA ILE A 35 2.318 -3.081 -2.259 1.00 0.00 H new ATOM 0 HB ILE A 35 2.116 -4.937 -4.667 1.00 0.00 H new ATOM 0 HG12 ILE A 35 3.420 -5.322 -1.950 1.00 0.00 H new ATOM 0 HG13 ILE A 35 1.866 -5.986 -2.415 1.00 0.00 H new ATOM 0 HG21 ILE A 35 4.577 -4.840 -4.715 1.00 0.00 H new ATOM 0 HG22 ILE A 35 3.851 -3.244 -5.019 1.00 0.00 H new ATOM 0 HG23 ILE A 35 4.551 -3.614 -3.426 1.00 0.00 H new ATOM 0 HD11 ILE A 35 3.632 -7.667 -2.613 1.00 0.00 H new ATOM 0 HD12 ILE A 35 2.946 -7.291 -4.211 1.00 0.00 H new ATOM 0 HD13 ILE A 35 4.524 -6.617 -3.739 1.00 0.00 H new ATOM 505 N SER A 36 1.133 -2.486 -5.306 1.00 0.00 N ATOM 506 CA SER A 36 0.998 -1.459 -6.331 1.00 0.00 C ATOM 507 C SER A 36 0.152 -0.294 -5.825 1.00 0.00 C ATOM 508 O SER A 36 0.487 0.871 -6.040 1.00 0.00 O ATOM 509 CB SER A 36 0.370 -2.049 -7.595 1.00 0.00 C ATOM 510 OG SER A 36 1.364 -2.545 -8.475 1.00 0.00 O ATOM 0 H SER A 36 0.712 -3.383 -5.550 1.00 0.00 H new ATOM 0 HA SER A 36 1.994 -1.086 -6.569 1.00 0.00 H new ATOM 0 HB2 SER A 36 -0.314 -2.853 -7.324 1.00 0.00 H new ATOM 0 HB3 SER A 36 -0.221 -1.286 -8.102 1.00 0.00 H new ATOM 0 HG SER A 36 0.937 -2.918 -9.274 1.00 0.00 H new ATOM 516 N CYS A 37 -0.946 -0.619 -5.152 1.00 0.00 N ATOM 517 CA CYS A 37 -1.843 0.399 -4.615 1.00 0.00 C ATOM 518 C CYS A 37 -1.052 1.553 -4.006 1.00 0.00 C ATOM 519 O CYS A 37 -1.308 2.720 -4.304 1.00 0.00 O ATOM 520 CB CYS A 37 -2.770 -0.211 -3.563 1.00 0.00 C ATOM 521 SG CYS A 37 -4.019 0.931 -2.928 1.00 0.00 S ATOM 0 H CYS A 37 -1.237 -1.579 -4.965 1.00 0.00 H new ATOM 0 HA CYS A 37 -2.445 0.788 -5.436 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -3.271 -1.077 -3.995 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -2.168 -0.574 -2.730 1.00 0.00 H new ATOM 0 HG CYS A 37 -4.882 0.275 -2.211 1.00 0.00 H new ATOM 527 N HIS A 38 -0.092 1.219 -3.150 1.00 0.00 N ATOM 528 CA HIS A 38 0.736 2.227 -2.497 1.00 0.00 C ATOM 529 C HIS A 38 1.655 2.910 -3.505 1.00 0.00 C ATOM 530 O HIS A 38 1.801 4.133 -3.497 1.00 0.00 O ATOM 531 CB HIS A 38 1.565 1.593 -1.381 1.00 0.00 C ATOM 532 CG HIS A 38 0.824 1.460 -0.086 1.00 0.00 C ATOM 533 ND1 HIS A 38 0.291 2.537 0.590 1.00 0.00 N ATOM 534 CD2 HIS A 38 0.528 0.368 0.657 1.00 0.00 C ATOM 535 CE1 HIS A 38 -0.300 2.113 1.693 1.00 0.00 C ATOM 536 NE2 HIS A 38 -0.171 0.800 1.757 1.00 0.00 N ATOM 0 H HIS A 38 0.132 0.258 -2.892 1.00 0.00 H new ATOM 0 HA HIS A 38 0.076 2.979 -2.065 1.00 0.00 H new ATOM 0 HB2 HIS A 38 1.898 0.606 -1.703 1.00 0.00 H new ATOM 0 HB3 HIS A 38 2.460 2.194 -1.218 1.00 0.00 H new ATOM 0 HD2 HIS A 38 0.793 -0.654 0.427 1.00 0.00 H new ATOM 0 HE1 HIS A 38 -0.803 2.734 2.419 1.00 0.00 H new ATOM 0 HE2 HIS A 38 -0.532 0.204 2.502 1.00 0.00 H new ATOM 545 N ARG A 39 2.274 2.113 -4.370 1.00 0.00 N ATOM 546 CA ARG A 39 3.181 2.640 -5.382 1.00 0.00 C ATOM 547 C ARG A 39 2.577 3.861 -6.070 1.00 0.00 C ATOM 548 O ARG A 39 3.228 4.897 -6.205 1.00 0.00 O ATOM 549 CB ARG A 39 3.502 1.564 -6.420 1.00 0.00 C ATOM 550 CG ARG A 39 4.439 0.483 -5.906 1.00 0.00 C ATOM 551 CD ARG A 39 5.277 -0.108 -7.029 1.00 0.00 C ATOM 552 NE ARG A 39 6.509 0.646 -7.247 1.00 0.00 N ATOM 553 CZ ARG A 39 7.322 0.441 -8.277 1.00 0.00 C ATOM 554 NH1 ARG A 39 7.036 -0.488 -9.178 1.00 0.00 N ATOM 555 NH2 ARG A 39 8.425 1.168 -8.407 1.00 0.00 N ATOM 0 H ARG A 39 2.164 1.099 -4.390 1.00 0.00 H new ATOM 0 HA ARG A 39 4.103 2.942 -4.885 1.00 0.00 H new ATOM 0 HB2 ARG A 39 2.572 1.100 -6.750 1.00 0.00 H new ATOM 0 HB3 ARG A 39 3.950 2.036 -7.294 1.00 0.00 H new ATOM 0 HG2 ARG A 39 5.095 0.901 -5.143 1.00 0.00 H new ATOM 0 HG3 ARG A 39 3.858 -0.307 -5.429 1.00 0.00 H new ATOM 0 HD2 ARG A 39 5.523 -1.143 -6.792 1.00 0.00 H new ATOM 0 HD3 ARG A 39 4.693 -0.122 -7.949 1.00 0.00 H new ATOM 0 HE ARG A 39 6.758 1.369 -6.572 1.00 0.00 H new ATOM 0 HH11 ARG A 39 6.189 -1.048 -9.082 1.00 0.00 H new ATOM 0 HH12 ARG A 39 7.663 -0.643 -9.968 1.00 0.00 H new ATOM 0 HH21 ARG A 39 8.648 1.884 -7.716 1.00 0.00 H new ATOM 0 HH22 ARG A 39 9.049 1.010 -9.198 1.00 0.00 H new ATOM 569 N LYS A 40 1.327 3.732 -6.503 1.00 0.00 N ATOM 570 CA LYS A 40 0.634 4.824 -7.177 1.00 0.00 C ATOM 571 C LYS A 40 0.612 6.075 -6.304 1.00 0.00 C ATOM 572 O LYS A 40 1.100 7.131 -6.706 1.00 0.00 O ATOM 573 CB LYS A 40 -0.797 4.408 -7.525 1.00 0.00 C ATOM 574 CG LYS A 40 -0.899 3.590 -8.801 1.00 0.00 C ATOM 575 CD LYS A 40 -0.473 2.149 -8.576 1.00 0.00 C ATOM 576 CE LYS A 40 -1.009 1.233 -9.666 1.00 0.00 C ATOM 577 NZ LYS A 40 -2.434 0.869 -9.434 1.00 0.00 N ATOM 0 H LYS A 40 0.773 2.882 -6.399 1.00 0.00 H new ATOM 0 HA LYS A 40 1.174 5.052 -8.096 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -1.209 3.829 -6.698 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -1.412 5.302 -7.626 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -1.925 3.614 -9.168 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -0.274 4.039 -9.573 1.00 0.00 H new ATOM 0 HD2 LYS A 40 0.615 2.090 -8.552 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -0.832 1.810 -7.605 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -0.913 1.725 -10.634 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -0.405 0.327 -9.708 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -2.762 0.244 -10.198 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -2.522 0.376 -8.522 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -3.015 1.732 -9.419 1.00 0.00 H new ATOM 591 N ALA A 41 0.045 5.948 -5.109 1.00 0.00 N ATOM 592 CA ALA A 41 -0.036 7.068 -4.179 1.00 0.00 C ATOM 593 C ALA A 41 1.326 7.730 -3.998 1.00 0.00 C ATOM 594 O ALA A 41 1.513 8.896 -4.348 1.00 0.00 O ATOM 595 CB ALA A 41 -0.581 6.601 -2.838 1.00 0.00 C ATOM 0 H ALA A 41 -0.365 5.081 -4.762 1.00 0.00 H new ATOM 0 HA ALA A 41 -0.718 7.808 -4.598 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -0.636 7.447 -2.153 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -1.577 6.181 -2.977 1.00 0.00 H new ATOM 0 HB3 ALA A 41 0.079 5.840 -2.422 1.00 0.00 H new ATOM 601 N THR A 42 2.275 6.980 -3.447 1.00 0.00 N ATOM 602 CA THR A 42 3.619 7.494 -3.217 1.00 0.00 C ATOM 603 C THR A 42 4.064 8.400 -4.360 1.00 0.00 C ATOM 604 O THR A 42 4.570 9.500 -4.134 1.00 0.00 O ATOM 605 CB THR A 42 4.638 6.351 -3.056 1.00 0.00 C ATOM 606 OG1 THR A 42 4.394 5.335 -4.035 1.00 0.00 O ATOM 607 CG2 THR A 42 4.560 5.748 -1.662 1.00 0.00 C ATOM 0 H THR A 42 2.137 6.014 -3.152 1.00 0.00 H new ATOM 0 HA THR A 42 3.583 8.071 -2.293 1.00 0.00 H new ATOM 0 HB THR A 42 5.637 6.762 -3.201 1.00 0.00 H new ATOM 0 HG1 THR A 42 3.664 5.618 -4.625 1.00 0.00 H new ATOM 0 HG21 THR A 42 5.289 4.943 -1.573 1.00 0.00 H new ATOM 0 HG22 THR A 42 4.776 6.517 -0.920 1.00 0.00 H new ATOM 0 HG23 THR A 42 3.559 5.351 -1.493 1.00 0.00 H new ATOM 615 N THR A 43 3.872 7.932 -5.589 1.00 0.00 N ATOM 616 CA THR A 43 4.254 8.699 -6.768 1.00 0.00 C ATOM 617 C THR A 43 3.581 10.067 -6.775 1.00 0.00 C ATOM 618 O THR A 43 4.246 11.095 -6.907 1.00 0.00 O ATOM 619 CB THR A 43 3.890 7.954 -8.066 1.00 0.00 C ATOM 620 OG1 THR A 43 4.520 6.668 -8.086 1.00 0.00 O ATOM 621 CG2 THR A 43 4.318 8.754 -9.287 1.00 0.00 C ATOM 0 H THR A 43 3.454 7.025 -5.794 1.00 0.00 H new ATOM 0 HA THR A 43 5.335 8.829 -6.724 1.00 0.00 H new ATOM 0 HB THR A 43 2.808 7.828 -8.096 1.00 0.00 H new ATOM 0 HG1 THR A 43 4.076 6.076 -7.444 1.00 0.00 H new ATOM 0 HG21 THR A 43 4.051 8.208 -10.192 1.00 0.00 H new ATOM 0 HG22 THR A 43 3.814 9.720 -9.284 1.00 0.00 H new ATOM 0 HG23 THR A 43 5.397 8.908 -9.261 1.00 0.00 H new ATOM 629 N TYR A 44 2.261 10.073 -6.630 1.00 0.00 N ATOM 630 CA TYR A 44 1.498 11.316 -6.622 1.00 0.00 C ATOM 631 C TYR A 44 2.042 12.281 -5.573 1.00 0.00 C ATOM 632 O TYR A 44 2.321 13.444 -5.868 1.00 0.00 O ATOM 633 CB TYR A 44 0.020 11.030 -6.350 1.00 0.00 C ATOM 634 CG TYR A 44 -0.839 12.273 -6.309 1.00 0.00 C ATOM 635 CD1 TYR A 44 -0.545 13.371 -7.108 1.00 0.00 C ATOM 636 CD2 TYR A 44 -1.945 12.349 -5.471 1.00 0.00 C ATOM 637 CE1 TYR A 44 -1.327 14.509 -7.073 1.00 0.00 C ATOM 638 CE2 TYR A 44 -2.733 13.483 -5.431 1.00 0.00 C ATOM 639 CZ TYR A 44 -2.420 14.560 -6.234 1.00 0.00 C ATOM 640 OH TYR A 44 -3.203 15.692 -6.195 1.00 0.00 O ATOM 0 H TYR A 44 1.697 9.231 -6.516 1.00 0.00 H new ATOM 0 HA TYR A 44 1.597 11.780 -7.603 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -0.360 10.361 -7.122 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -0.071 10.504 -5.400 1.00 0.00 H new ATOM 0 HD1 TYR A 44 0.309 13.334 -7.768 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -2.193 11.508 -4.841 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -1.084 15.354 -7.699 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -3.590 13.526 -4.775 1.00 0.00 H new ATOM 0 HH TYR A 44 -4.145 15.442 -6.294 1.00 0.00 H new ATOM 650 N LEU A 45 2.190 11.791 -4.348 1.00 0.00 N ATOM 651 CA LEU A 45 2.701 12.609 -3.253 1.00 0.00 C ATOM 652 C LEU A 45 4.057 13.210 -3.609 1.00 0.00 C ATOM 653 O LEU A 45 4.360 14.345 -3.242 1.00 0.00 O ATOM 654 CB LEU A 45 2.821 11.772 -1.978 1.00 0.00 C ATOM 655 CG LEU A 45 1.508 11.263 -1.383 1.00 0.00 C ATOM 656 CD1 LEU A 45 1.778 10.303 -0.235 1.00 0.00 C ATOM 657 CD2 LEU A 45 0.647 12.427 -0.916 1.00 0.00 C ATOM 0 H LEU A 45 1.964 10.831 -4.087 1.00 0.00 H new ATOM 0 HA LEU A 45 1.997 13.423 -3.081 1.00 0.00 H new ATOM 0 HB2 LEU A 45 3.458 10.913 -2.190 1.00 0.00 H new ATOM 0 HB3 LEU A 45 3.332 12.369 -1.222 1.00 0.00 H new ATOM 0 HG LEU A 45 0.965 10.724 -2.159 1.00 0.00 H new ATOM 0 HD11 LEU A 45 0.831 9.951 0.176 1.00 0.00 H new ATOM 0 HD12 LEU A 45 2.354 9.452 -0.600 1.00 0.00 H new ATOM 0 HD13 LEU A 45 2.343 10.816 0.543 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -0.283 12.046 -0.495 1.00 0.00 H new ATOM 0 HD22 LEU A 45 1.183 12.994 -0.155 1.00 0.00 H new ATOM 0 HD23 LEU A 45 0.423 13.077 -1.762 1.00 0.00 H new ATOM 669 N SER A 46 4.868 12.442 -4.330 1.00 0.00 N ATOM 670 CA SER A 46 6.192 12.898 -4.735 1.00 0.00 C ATOM 671 C SER A 46 6.089 14.030 -5.753 1.00 0.00 C ATOM 672 O SER A 46 7.019 14.819 -5.916 1.00 0.00 O ATOM 673 CB SER A 46 6.996 11.738 -5.325 1.00 0.00 C ATOM 674 OG SER A 46 7.482 10.884 -4.305 1.00 0.00 O ATOM 0 H SER A 46 4.631 11.501 -4.645 1.00 0.00 H new ATOM 0 HA SER A 46 6.706 13.274 -3.850 1.00 0.00 H new ATOM 0 HB2 SER A 46 6.369 11.169 -6.012 1.00 0.00 H new ATOM 0 HB3 SER A 46 7.832 12.129 -5.905 1.00 0.00 H new ATOM 0 HG SER A 46 6.769 10.274 -4.022 1.00 0.00 H new ATOM 680 N GLU A 47 4.951 14.101 -6.436 1.00 0.00 N ATOM 681 CA GLU A 47 4.726 15.135 -7.439 1.00 0.00 C ATOM 682 C GLU A 47 4.274 16.438 -6.786 1.00 0.00 C ATOM 683 O GLU A 47 4.561 17.527 -7.284 1.00 0.00 O ATOM 684 CB GLU A 47 3.679 14.673 -8.455 1.00 0.00 C ATOM 685 CG GLU A 47 4.267 13.905 -9.627 1.00 0.00 C ATOM 686 CD GLU A 47 4.713 14.815 -10.756 1.00 0.00 C ATOM 687 OE1 GLU A 47 3.844 15.269 -11.530 1.00 0.00 O ATOM 688 OE2 GLU A 47 5.929 15.072 -10.866 1.00 0.00 O ATOM 0 H GLU A 47 4.171 13.455 -6.313 1.00 0.00 H new ATOM 0 HA GLU A 47 5.669 15.314 -7.955 1.00 0.00 H new ATOM 0 HB2 GLU A 47 2.947 14.043 -7.949 1.00 0.00 H new ATOM 0 HB3 GLU A 47 3.143 15.543 -8.834 1.00 0.00 H new ATOM 0 HG2 GLU A 47 5.117 13.317 -9.281 1.00 0.00 H new ATOM 0 HG3 GLU A 47 3.525 13.201 -10.004 1.00 0.00 H new ATOM 695 N ALA A 48 3.567 16.318 -5.667 1.00 0.00 N ATOM 696 CA ALA A 48 3.077 17.485 -4.944 1.00 0.00 C ATOM 697 C ALA A 48 4.232 18.331 -4.420 1.00 0.00 C ATOM 698 O ALA A 48 4.354 19.509 -4.758 1.00 0.00 O ATOM 699 CB ALA A 48 2.173 17.055 -3.798 1.00 0.00 C ATOM 0 H ALA A 48 3.321 15.424 -5.242 1.00 0.00 H new ATOM 0 HA ALA A 48 2.500 18.095 -5.638 1.00 0.00 H new ATOM 0 HB1 ALA A 48 1.814 17.937 -3.267 1.00 0.00 H new ATOM 0 HB2 ALA A 48 1.323 16.499 -4.194 1.00 0.00 H new ATOM 0 HB3 ALA A 48 2.733 16.421 -3.111 1.00 0.00 H new ATOM 705 N MET A 49 5.077 17.724 -3.593 1.00 0.00 N ATOM 706 CA MET A 49 6.223 18.423 -3.023 1.00 0.00 C ATOM 707 C MET A 49 7.115 18.990 -4.123 1.00 0.00 C ATOM 708 O MET A 49 7.667 20.083 -3.986 1.00 0.00 O ATOM 709 CB MET A 49 7.031 17.478 -2.131 1.00 0.00 C ATOM 710 CG MET A 49 7.544 16.246 -2.858 1.00 0.00 C ATOM 711 SD MET A 49 8.272 15.032 -1.741 1.00 0.00 S ATOM 712 CE MET A 49 7.054 15.009 -0.427 1.00 0.00 C ATOM 0 H MET A 49 4.990 16.750 -3.303 1.00 0.00 H new ATOM 0 HA MET A 49 5.850 19.250 -2.419 1.00 0.00 H new ATOM 0 HB2 MET A 49 7.878 18.022 -1.713 1.00 0.00 H new ATOM 0 HB3 MET A 49 6.409 17.163 -1.293 1.00 0.00 H new ATOM 0 HG2 MET A 49 6.722 15.784 -3.405 1.00 0.00 H new ATOM 0 HG3 MET A 49 8.288 16.548 -3.595 1.00 0.00 H new ATOM 0 HE1 MET A 49 7.108 14.058 0.103 1.00 0.00 H new ATOM 0 HE2 MET A 49 7.254 15.824 0.269 1.00 0.00 H new ATOM 0 HE3 MET A 49 6.058 15.131 -0.852 1.00 0.00 H new ATOM 722 N LYS A 50 7.253 18.242 -5.212 1.00 0.00 N ATOM 723 CA LYS A 50 8.078 18.671 -6.335 1.00 0.00 C ATOM 724 C LYS A 50 7.515 19.938 -6.971 1.00 0.00 C ATOM 725 O LYS A 50 8.204 20.624 -7.727 1.00 0.00 O ATOM 726 CB LYS A 50 8.167 17.558 -7.383 1.00 0.00 C ATOM 727 CG LYS A 50 9.268 16.549 -7.106 1.00 0.00 C ATOM 728 CD LYS A 50 9.340 15.490 -8.193 1.00 0.00 C ATOM 729 CE LYS A 50 10.473 14.507 -7.940 1.00 0.00 C ATOM 730 NZ LYS A 50 10.857 13.772 -9.177 1.00 0.00 N ATOM 0 H LYS A 50 6.804 17.335 -5.341 1.00 0.00 H new ATOM 0 HA LYS A 50 9.077 18.888 -5.958 1.00 0.00 H new ATOM 0 HB2 LYS A 50 7.211 17.037 -7.429 1.00 0.00 H new ATOM 0 HB3 LYS A 50 8.334 18.005 -8.363 1.00 0.00 H new ATOM 0 HG2 LYS A 50 10.226 17.065 -7.035 1.00 0.00 H new ATOM 0 HG3 LYS A 50 9.091 16.071 -6.142 1.00 0.00 H new ATOM 0 HD2 LYS A 50 8.394 14.951 -8.241 1.00 0.00 H new ATOM 0 HD3 LYS A 50 9.483 15.970 -9.161 1.00 0.00 H new ATOM 0 HE2 LYS A 50 11.339 15.043 -7.553 1.00 0.00 H new ATOM 0 HE3 LYS A 50 10.171 13.794 -7.173 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 11.632 13.112 -8.962 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 10.038 13.240 -9.533 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 11.170 14.450 -9.901 1.00 0.00 H new ATOM 744 N LEU A 51 6.260 20.243 -6.660 1.00 0.00 N ATOM 745 CA LEU A 51 5.605 21.430 -7.200 1.00 0.00 C ATOM 746 C LEU A 51 5.468 22.510 -6.131 1.00 0.00 C ATOM 747 O LEU A 51 6.030 23.598 -6.257 1.00 0.00 O ATOM 748 CB LEU A 51 4.227 21.067 -7.755 1.00 0.00 C ATOM 749 CG LEU A 51 4.216 20.159 -8.985 1.00 0.00 C ATOM 750 CD1 LEU A 51 2.795 19.735 -9.323 1.00 0.00 C ATOM 751 CD2 LEU A 51 4.862 20.860 -10.171 1.00 0.00 C ATOM 0 H LEU A 51 5.676 19.685 -6.037 1.00 0.00 H new ATOM 0 HA LEU A 51 6.224 21.821 -8.008 1.00 0.00 H new ATOM 0 HB2 LEU A 51 3.656 20.581 -6.964 1.00 0.00 H new ATOM 0 HB3 LEU A 51 3.704 21.990 -8.005 1.00 0.00 H new ATOM 0 HG LEU A 51 4.796 19.264 -8.758 1.00 0.00 H new ATOM 0 HD11 LEU A 51 2.807 19.089 -10.201 1.00 0.00 H new ATOM 0 HD12 LEU A 51 2.367 19.193 -8.480 1.00 0.00 H new ATOM 0 HD13 LEU A 51 2.191 20.619 -9.531 1.00 0.00 H new ATOM 0 HD21 LEU A 51 4.845 20.199 -11.038 1.00 0.00 H new ATOM 0 HD22 LEU A 51 4.310 21.772 -10.399 1.00 0.00 H new ATOM 0 HD23 LEU A 51 5.894 21.112 -9.927 1.00 0.00 H new ATOM 763 N THR A 52 4.718 22.200 -5.078 1.00 0.00 N ATOM 764 CA THR A 52 4.508 23.143 -3.986 1.00 0.00 C ATOM 765 C THR A 52 5.779 23.930 -3.686 1.00 0.00 C ATOM 766 O THR A 52 6.828 23.349 -3.411 1.00 0.00 O ATOM 767 CB THR A 52 4.048 22.425 -2.704 1.00 0.00 C ATOM 768 OG1 THR A 52 3.312 23.330 -1.873 1.00 0.00 O ATOM 769 CG2 THR A 52 5.239 21.876 -1.934 1.00 0.00 C ATOM 0 H THR A 52 4.246 21.304 -4.958 1.00 0.00 H new ATOM 0 HA THR A 52 3.726 23.830 -4.309 1.00 0.00 H new ATOM 0 HB THR A 52 3.406 21.592 -2.991 1.00 0.00 H new ATOM 0 HG1 THR A 52 2.473 22.908 -1.593 1.00 0.00 H new ATOM 0 HG21 THR A 52 4.889 21.373 -1.032 1.00 0.00 H new ATOM 0 HG22 THR A 52 5.780 21.165 -2.559 1.00 0.00 H new ATOM 0 HG23 THR A 52 5.903 22.695 -1.658 1.00 0.00 H new ATOM 777 N GLU A 53 5.677 25.254 -3.741 1.00 0.00 N ATOM 778 CA GLU A 53 6.820 26.119 -3.475 1.00 0.00 C ATOM 779 C GLU A 53 7.006 26.328 -1.975 1.00 0.00 C ATOM 780 O GLU A 53 8.124 26.531 -1.500 1.00 0.00 O ATOM 781 CB GLU A 53 6.638 27.470 -4.171 1.00 0.00 C ATOM 782 CG GLU A 53 7.948 28.131 -4.567 1.00 0.00 C ATOM 783 CD GLU A 53 7.769 29.173 -5.654 1.00 0.00 C ATOM 784 OE1 GLU A 53 6.954 28.941 -6.571 1.00 0.00 O ATOM 785 OE2 GLU A 53 8.446 30.221 -5.588 1.00 0.00 O ATOM 0 H GLU A 53 4.815 25.751 -3.967 1.00 0.00 H new ATOM 0 HA GLU A 53 7.712 25.632 -3.870 1.00 0.00 H new ATOM 0 HB2 GLU A 53 6.027 27.331 -5.063 1.00 0.00 H new ATOM 0 HB3 GLU A 53 6.088 28.139 -3.509 1.00 0.00 H new ATOM 0 HG2 GLU A 53 8.394 28.599 -3.690 1.00 0.00 H new ATOM 0 HG3 GLU A 53 8.646 27.368 -4.911 1.00 0.00 H new ATOM 792 N SER A 54 5.903 26.278 -1.235 1.00 0.00 N ATOM 793 CA SER A 54 5.944 26.466 0.211 1.00 0.00 C ATOM 794 C SER A 54 6.691 25.320 0.887 1.00 0.00 C ATOM 795 O SER A 54 6.673 24.187 0.409 1.00 0.00 O ATOM 796 CB SER A 54 4.524 26.566 0.773 1.00 0.00 C ATOM 797 OG SER A 54 3.943 27.822 0.468 1.00 0.00 O ATOM 0 H SER A 54 4.971 26.109 -1.612 1.00 0.00 H new ATOM 0 HA SER A 54 6.476 27.395 0.417 1.00 0.00 H new ATOM 0 HB2 SER A 54 3.909 25.767 0.360 1.00 0.00 H new ATOM 0 HB3 SER A 54 4.546 26.425 1.854 1.00 0.00 H new ATOM 0 HG SER A 54 3.036 27.861 0.836 1.00 0.00 H new ATOM 803 N GLU A 55 7.346 25.627 2.002 1.00 0.00 N ATOM 804 CA GLU A 55 8.100 24.623 2.744 1.00 0.00 C ATOM 805 C GLU A 55 7.164 23.709 3.529 1.00 0.00 C ATOM 806 O GLU A 55 7.111 22.503 3.286 1.00 0.00 O ATOM 807 CB GLU A 55 9.089 25.298 3.697 1.00 0.00 C ATOM 808 CG GLU A 55 10.077 24.333 4.332 1.00 0.00 C ATOM 809 CD GLU A 55 11.093 25.035 5.214 1.00 0.00 C ATOM 810 OE1 GLU A 55 10.704 25.512 6.300 1.00 0.00 O ATOM 811 OE2 GLU A 55 12.274 25.106 4.817 1.00 0.00 O ATOM 0 H GLU A 55 7.370 26.561 2.411 1.00 0.00 H new ATOM 0 HA GLU A 55 8.653 24.017 2.026 1.00 0.00 H new ATOM 0 HB2 GLU A 55 9.641 26.064 3.152 1.00 0.00 H new ATOM 0 HB3 GLU A 55 8.533 25.806 4.485 1.00 0.00 H new ATOM 0 HG2 GLU A 55 9.532 23.599 4.925 1.00 0.00 H new ATOM 0 HG3 GLU A 55 10.599 23.785 3.548 1.00 0.00 H new ATOM 818 N GLN A 56 6.429 24.292 4.470 1.00 0.00 N ATOM 819 CA GLN A 56 5.496 23.529 5.292 1.00 0.00 C ATOM 820 C GLN A 56 4.789 22.461 4.464 1.00 0.00 C ATOM 821 O GLN A 56 4.754 21.291 4.842 1.00 0.00 O ATOM 822 CB GLN A 56 4.465 24.463 5.929 1.00 0.00 C ATOM 823 CG GLN A 56 4.934 25.087 7.234 1.00 0.00 C ATOM 824 CD GLN A 56 4.690 24.189 8.431 1.00 0.00 C ATOM 825 OE1 GLN A 56 4.624 22.967 8.302 1.00 0.00 O ATOM 826 NE2 GLN A 56 4.555 24.793 9.606 1.00 0.00 N ATOM 0 H GLN A 56 6.461 25.289 4.682 1.00 0.00 H new ATOM 0 HA GLN A 56 6.064 23.034 6.080 1.00 0.00 H new ATOM 0 HB2 GLN A 56 4.221 25.257 5.223 1.00 0.00 H new ATOM 0 HB3 GLN A 56 3.546 23.906 6.112 1.00 0.00 H new ATOM 0 HG2 GLN A 56 5.998 25.311 7.163 1.00 0.00 H new ATOM 0 HG3 GLN A 56 4.418 26.035 7.385 1.00 0.00 H new ATOM 0 HE21 GLN A 56 4.617 25.809 9.667 1.00 0.00 H new ATOM 0 HE22 GLN A 56 4.389 24.241 10.447 1.00 0.00 H new ATOM 835 N ALA A 57 4.227 22.873 3.332 1.00 0.00 N ATOM 836 CA ALA A 57 3.522 21.951 2.450 1.00 0.00 C ATOM 837 C ALA A 57 4.390 20.744 2.112 1.00 0.00 C ATOM 838 O ALA A 57 3.928 19.603 2.153 1.00 0.00 O ATOM 839 CB ALA A 57 3.089 22.665 1.178 1.00 0.00 C ATOM 0 H ALA A 57 4.246 23.839 3.004 1.00 0.00 H new ATOM 0 HA ALA A 57 2.635 21.593 2.973 1.00 0.00 H new ATOM 0 HB1 ALA A 57 2.564 21.965 0.528 1.00 0.00 H new ATOM 0 HB2 ALA A 57 2.425 23.491 1.433 1.00 0.00 H new ATOM 0 HB3 ALA A 57 3.967 23.051 0.660 1.00 0.00 H new ATOM 845 N HIS A 58 5.650 21.001 1.776 1.00 0.00 N ATOM 846 CA HIS A 58 6.583 19.935 1.431 1.00 0.00 C ATOM 847 C HIS A 58 6.752 18.962 2.594 1.00 0.00 C ATOM 848 O HIS A 58 7.068 17.788 2.395 1.00 0.00 O ATOM 849 CB HIS A 58 7.940 20.522 1.041 1.00 0.00 C ATOM 850 CG HIS A 58 8.992 19.485 0.791 1.00 0.00 C ATOM 851 ND1 HIS A 58 9.515 18.688 1.787 1.00 0.00 N ATOM 852 CD2 HIS A 58 9.616 19.115 -0.352 1.00 0.00 C ATOM 853 CE1 HIS A 58 10.417 17.875 1.269 1.00 0.00 C ATOM 854 NE2 HIS A 58 10.497 18.113 -0.028 1.00 0.00 N ATOM 0 H HIS A 58 6.048 21.939 1.735 1.00 0.00 H new ATOM 0 HA HIS A 58 6.173 19.389 0.581 1.00 0.00 H new ATOM 0 HB2 HIS A 58 7.820 21.129 0.144 1.00 0.00 H new ATOM 0 HB3 HIS A 58 8.280 21.189 1.834 1.00 0.00 H new ATOM 0 HD2 HIS A 58 9.452 19.530 -1.335 1.00 0.00 H new ATOM 0 HE1 HIS A 58 10.992 17.140 1.813 1.00 0.00 H new ATOM 0 HE2 HIS A 58 11.113 17.631 -0.682 1.00 0.00 H new ATOM 863 N LEU A 59 6.539 19.457 3.808 1.00 0.00 N ATOM 864 CA LEU A 59 6.668 18.632 5.004 1.00 0.00 C ATOM 865 C LEU A 59 5.500 17.658 5.122 1.00 0.00 C ATOM 866 O LEU A 59 5.696 16.445 5.201 1.00 0.00 O ATOM 867 CB LEU A 59 6.739 19.515 6.252 1.00 0.00 C ATOM 868 CG LEU A 59 7.582 20.784 6.129 1.00 0.00 C ATOM 869 CD1 LEU A 59 7.617 21.533 7.452 1.00 0.00 C ATOM 870 CD2 LEU A 59 8.993 20.445 5.669 1.00 0.00 C ATOM 0 H LEU A 59 6.276 20.426 3.990 1.00 0.00 H new ATOM 0 HA LEU A 59 7.590 18.057 4.921 1.00 0.00 H new ATOM 0 HB2 LEU A 59 5.724 19.802 6.528 1.00 0.00 H new ATOM 0 HB3 LEU A 59 7.135 18.918 7.073 1.00 0.00 H new ATOM 0 HG LEU A 59 7.123 21.430 5.381 1.00 0.00 H new ATOM 0 HD11 LEU A 59 8.222 22.433 7.344 1.00 0.00 H new ATOM 0 HD12 LEU A 59 6.603 21.809 7.741 1.00 0.00 H new ATOM 0 HD13 LEU A 59 8.051 20.894 8.221 1.00 0.00 H new ATOM 0 HD21 LEU A 59 9.579 21.361 5.587 1.00 0.00 H new ATOM 0 HD22 LEU A 59 9.461 19.778 6.393 1.00 0.00 H new ATOM 0 HD23 LEU A 59 8.951 19.953 4.697 1.00 0.00 H new ATOM 882 N SER A 60 4.285 18.197 5.132 1.00 0.00 N ATOM 883 CA SER A 60 3.086 17.376 5.242 1.00 0.00 C ATOM 884 C SER A 60 3.169 16.165 4.317 1.00 0.00 C ATOM 885 O SER A 60 2.503 15.153 4.538 1.00 0.00 O ATOM 886 CB SER A 60 1.843 18.203 4.907 1.00 0.00 C ATOM 887 OG SER A 60 1.460 19.015 6.003 1.00 0.00 O ATOM 0 H SER A 60 4.105 19.199 5.065 1.00 0.00 H new ATOM 0 HA SER A 60 3.012 17.022 6.270 1.00 0.00 H new ATOM 0 HB2 SER A 60 2.043 18.830 4.038 1.00 0.00 H new ATOM 0 HB3 SER A 60 1.022 17.538 4.638 1.00 0.00 H new ATOM 0 HG SER A 60 0.582 19.411 5.825 1.00 0.00 H new ATOM 893 N LEU A 61 3.992 16.277 3.280 1.00 0.00 N ATOM 894 CA LEU A 61 4.164 15.193 2.320 1.00 0.00 C ATOM 895 C LEU A 61 5.311 14.276 2.733 1.00 0.00 C ATOM 896 O LEU A 61 5.157 13.056 2.778 1.00 0.00 O ATOM 897 CB LEU A 61 4.427 15.759 0.923 1.00 0.00 C ATOM 898 CG LEU A 61 3.455 16.836 0.441 1.00 0.00 C ATOM 899 CD1 LEU A 61 4.024 17.569 -0.763 1.00 0.00 C ATOM 900 CD2 LEU A 61 2.104 16.222 0.105 1.00 0.00 C ATOM 0 H LEU A 61 4.550 17.107 3.083 1.00 0.00 H new ATOM 0 HA LEU A 61 3.244 14.608 2.302 1.00 0.00 H new ATOM 0 HB2 LEU A 61 5.435 16.173 0.905 1.00 0.00 H new ATOM 0 HB3 LEU A 61 4.408 14.935 0.210 1.00 0.00 H new ATOM 0 HG LEU A 61 3.314 17.558 1.246 1.00 0.00 H new ATOM 0 HD11 LEU A 61 3.318 18.332 -1.092 1.00 0.00 H new ATOM 0 HD12 LEU A 61 4.967 18.042 -0.489 1.00 0.00 H new ATOM 0 HD13 LEU A 61 4.195 16.860 -1.573 1.00 0.00 H new ATOM 0 HD21 LEU A 61 1.424 17.003 -0.236 1.00 0.00 H new ATOM 0 HD22 LEU A 61 2.228 15.479 -0.683 1.00 0.00 H new ATOM 0 HD23 LEU A 61 1.691 15.744 0.993 1.00 0.00 H new ATOM 912 N GLU A 62 6.459 14.873 3.037 1.00 0.00 N ATOM 913 CA GLU A 62 7.631 14.109 3.449 1.00 0.00 C ATOM 914 C GLU A 62 7.305 13.212 4.639 1.00 0.00 C ATOM 915 O GLU A 62 8.007 12.235 4.905 1.00 0.00 O ATOM 916 CB GLU A 62 8.782 15.052 3.808 1.00 0.00 C ATOM 917 CG GLU A 62 8.777 15.493 5.262 1.00 0.00 C ATOM 918 CD GLU A 62 9.967 16.366 5.611 1.00 0.00 C ATOM 919 OE1 GLU A 62 9.943 17.566 5.269 1.00 0.00 O ATOM 920 OE2 GLU A 62 10.921 15.847 6.227 1.00 0.00 O ATOM 0 H GLU A 62 6.603 15.882 3.006 1.00 0.00 H new ATOM 0 HA GLU A 62 7.934 13.479 2.613 1.00 0.00 H new ATOM 0 HB2 GLU A 62 9.728 14.556 3.591 1.00 0.00 H new ATOM 0 HB3 GLU A 62 8.731 15.934 3.169 1.00 0.00 H new ATOM 0 HG2 GLU A 62 7.857 16.040 5.469 1.00 0.00 H new ATOM 0 HG3 GLU A 62 8.776 14.613 5.905 1.00 0.00 H new ATOM 927 N LEU A 63 6.236 13.549 5.352 1.00 0.00 N ATOM 928 CA LEU A 63 5.816 12.775 6.514 1.00 0.00 C ATOM 929 C LEU A 63 4.821 11.690 6.115 1.00 0.00 C ATOM 930 O LEU A 63 5.045 10.507 6.368 1.00 0.00 O ATOM 931 CB LEU A 63 5.191 13.694 7.565 1.00 0.00 C ATOM 932 CG LEU A 63 6.160 14.597 8.330 1.00 0.00 C ATOM 933 CD1 LEU A 63 5.398 15.649 9.121 1.00 0.00 C ATOM 934 CD2 LEU A 63 7.043 13.769 9.252 1.00 0.00 C ATOM 0 H LEU A 63 5.644 14.354 5.145 1.00 0.00 H new ATOM 0 HA LEU A 63 6.698 12.295 6.938 1.00 0.00 H new ATOM 0 HB2 LEU A 63 4.450 14.324 7.073 1.00 0.00 H new ATOM 0 HB3 LEU A 63 4.655 13.076 8.286 1.00 0.00 H new ATOM 0 HG LEU A 63 6.799 15.107 7.609 1.00 0.00 H new ATOM 0 HD11 LEU A 63 6.104 16.282 9.659 1.00 0.00 H new ATOM 0 HD12 LEU A 63 4.809 16.261 8.438 1.00 0.00 H new ATOM 0 HD13 LEU A 63 4.735 15.159 9.834 1.00 0.00 H new ATOM 0 HD21 LEU A 63 7.727 14.427 9.789 1.00 0.00 H new ATOM 0 HD22 LEU A 63 6.420 13.232 9.967 1.00 0.00 H new ATOM 0 HD23 LEU A 63 7.616 13.054 8.662 1.00 0.00 H new ATOM 946 N GLN A 64 3.723 12.102 5.489 1.00 0.00 N ATOM 947 CA GLN A 64 2.696 11.164 5.053 1.00 0.00 C ATOM 948 C GLN A 64 3.290 10.081 4.159 1.00 0.00 C ATOM 949 O GLN A 64 2.961 8.902 4.292 1.00 0.00 O ATOM 950 CB GLN A 64 1.583 11.903 4.308 1.00 0.00 C ATOM 951 CG GLN A 64 0.322 11.076 4.120 1.00 0.00 C ATOM 952 CD GLN A 64 -0.107 10.369 5.391 1.00 0.00 C ATOM 953 OE1 GLN A 64 -1.038 10.974 6.119 1.00 0.00 O flip ATOM 954 NE2 GLN A 64 0.392 9.292 5.715 1.00 0.00 N flip ATOM 0 H GLN A 64 3.522 13.078 5.273 1.00 0.00 H new ATOM 0 HA GLN A 64 2.277 10.688 5.939 1.00 0.00 H new ATOM 0 HB2 GLN A 64 1.333 12.812 4.855 1.00 0.00 H new ATOM 0 HB3 GLN A 64 1.954 12.211 3.331 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -0.485 11.724 3.779 1.00 0.00 H new ATOM 0 HG3 GLN A 64 0.490 10.337 3.337 1.00 0.00 H new ATOM 0 HE21 GLN A 64 1.105 8.862 5.126 1.00 0.00 H new ATOM 0 HE22 GLN A 64 0.093 8.829 6.573 1.00 0.00 H new ATOM 963 N ARG A 65 4.168 10.489 3.248 1.00 0.00 N ATOM 964 CA ARG A 65 4.807 9.553 2.330 1.00 0.00 C ATOM 965 C ARG A 65 5.480 8.417 3.094 1.00 0.00 C ATOM 966 O ARG A 65 5.335 7.247 2.741 1.00 0.00 O ATOM 967 CB ARG A 65 5.837 10.280 1.463 1.00 0.00 C ATOM 968 CG ARG A 65 6.262 9.493 0.235 1.00 0.00 C ATOM 969 CD ARG A 65 7.492 10.103 -0.420 1.00 0.00 C ATOM 970 NE ARG A 65 8.685 9.950 0.408 1.00 0.00 N ATOM 971 CZ ARG A 65 9.923 10.009 -0.070 1.00 0.00 C ATOM 972 NH1 ARG A 65 10.129 10.216 -1.363 1.00 0.00 N ATOM 973 NH2 ARG A 65 10.959 9.860 0.746 1.00 0.00 N ATOM 0 H ARG A 65 4.453 11.461 3.126 1.00 0.00 H new ATOM 0 HA ARG A 65 4.036 9.128 1.687 1.00 0.00 H new ATOM 0 HB2 ARG A 65 5.422 11.237 1.146 1.00 0.00 H new ATOM 0 HB3 ARG A 65 6.718 10.499 2.067 1.00 0.00 H new ATOM 0 HG2 ARG A 65 6.473 8.462 0.518 1.00 0.00 H new ATOM 0 HG3 ARG A 65 5.442 9.466 -0.483 1.00 0.00 H new ATOM 0 HD2 ARG A 65 7.659 9.630 -1.388 1.00 0.00 H new ATOM 0 HD3 ARG A 65 7.315 11.162 -0.609 1.00 0.00 H new ATOM 0 HE ARG A 65 8.561 9.789 1.408 1.00 0.00 H new ATOM 0 HH11 ARG A 65 9.336 10.331 -1.994 1.00 0.00 H new ATOM 0 HH12 ARG A 65 11.081 10.261 -1.727 1.00 0.00 H new ATOM 0 HH21 ARG A 65 10.805 9.700 1.742 1.00 0.00 H new ATOM 0 HH22 ARG A 65 11.909 9.906 0.378 1.00 0.00 H new ATOM 987 N ASP A 66 6.217 8.771 4.142 1.00 0.00 N ATOM 988 CA ASP A 66 6.913 7.781 4.956 1.00 0.00 C ATOM 989 C ASP A 66 6.084 6.507 5.088 1.00 0.00 C ATOM 990 O ASP A 66 6.452 5.458 4.559 1.00 0.00 O ATOM 991 CB ASP A 66 7.217 8.352 6.342 1.00 0.00 C ATOM 992 CG ASP A 66 7.813 7.318 7.277 1.00 0.00 C ATOM 993 OD1 ASP A 66 8.966 6.901 7.041 1.00 0.00 O ATOM 994 OD2 ASP A 66 7.126 6.925 8.243 1.00 0.00 O ATOM 0 H ASP A 66 6.348 9.735 4.447 1.00 0.00 H new ATOM 0 HA ASP A 66 7.851 7.533 4.460 1.00 0.00 H new ATOM 0 HB2 ASP A 66 7.908 9.189 6.243 1.00 0.00 H new ATOM 0 HB3 ASP A 66 6.299 8.746 6.779 1.00 0.00 H new ATOM 999 N SER A 67 4.966 6.605 5.799 1.00 0.00 N ATOM 1000 CA SER A 67 4.087 5.459 6.005 1.00 0.00 C ATOM 1001 C SER A 67 3.762 4.779 4.679 1.00 0.00 C ATOM 1002 O SER A 67 4.050 3.598 4.486 1.00 0.00 O ATOM 1003 CB SER A 67 2.796 5.898 6.697 1.00 0.00 C ATOM 1004 OG SER A 67 3.071 6.557 7.921 1.00 0.00 O ATOM 0 H SER A 67 4.647 7.466 6.243 1.00 0.00 H new ATOM 0 HA SER A 67 4.606 4.743 6.642 1.00 0.00 H new ATOM 0 HB2 SER A 67 2.236 6.564 6.040 1.00 0.00 H new ATOM 0 HB3 SER A 67 2.165 5.028 6.882 1.00 0.00 H new ATOM 0 HG SER A 67 2.229 6.829 8.342 1.00 0.00 H new ATOM 1010 N HIS A 68 3.158 5.534 3.766 1.00 0.00 N ATOM 1011 CA HIS A 68 2.792 5.006 2.457 1.00 0.00 C ATOM 1012 C HIS A 68 3.837 4.011 1.962 1.00 0.00 C ATOM 1013 O HIS A 68 3.517 3.071 1.234 1.00 0.00 O ATOM 1014 CB HIS A 68 2.638 6.145 1.449 1.00 0.00 C ATOM 1015 CG HIS A 68 1.274 6.765 1.450 1.00 0.00 C ATOM 1016 ND1 HIS A 68 0.886 8.050 1.620 1.00 0.00 N flip ATOM 1017 CD2 HIS A 68 0.117 6.039 1.260 1.00 0.00 C flip ATOM 1018 CE1 HIS A 68 -0.484 8.077 1.530 1.00 0.00 C flip ATOM 1019 NE2 HIS A 68 -0.923 6.851 1.312 1.00 0.00 N flip ATOM 0 H HIS A 68 2.912 6.513 3.909 1.00 0.00 H new ATOM 0 HA HIS A 68 1.839 4.487 2.555 1.00 0.00 H new ATOM 0 HB2 HIS A 68 3.378 6.915 1.667 1.00 0.00 H new ATOM 0 HB3 HIS A 68 2.856 5.767 0.450 1.00 0.00 H new ATOM 0 HD2 HIS A 68 0.069 4.973 1.095 1.00 0.00 H new ATOM 0 HE1 HIS A 68 -1.102 8.958 1.623 1.00 0.00 H new ATOM 0 HE2 HIS A 68 -1.900 6.578 1.202 1.00 0.00 H new ATOM 1028 N MET A 69 5.087 4.225 2.361 1.00 0.00 N ATOM 1029 CA MET A 69 6.178 3.346 1.957 1.00 0.00 C ATOM 1030 C MET A 69 6.428 2.270 3.010 1.00 0.00 C ATOM 1031 O MET A 69 6.590 1.094 2.684 1.00 0.00 O ATOM 1032 CB MET A 69 7.455 4.156 1.727 1.00 0.00 C ATOM 1033 CG MET A 69 7.587 4.694 0.311 1.00 0.00 C ATOM 1034 SD MET A 69 7.563 3.389 -0.933 1.00 0.00 S ATOM 1035 CE MET A 69 9.079 2.520 -0.541 1.00 0.00 C ATOM 0 H MET A 69 5.369 4.999 2.963 1.00 0.00 H new ATOM 0 HA MET A 69 5.892 2.858 1.025 1.00 0.00 H new ATOM 0 HB2 MET A 69 7.477 4.991 2.428 1.00 0.00 H new ATOM 0 HB3 MET A 69 8.318 3.529 1.951 1.00 0.00 H new ATOM 0 HG2 MET A 69 6.774 5.393 0.115 1.00 0.00 H new ATOM 0 HG3 MET A 69 8.517 5.255 0.225 1.00 0.00 H new ATOM 0 HE1 MET A 69 9.242 1.726 -1.270 1.00 0.00 H new ATOM 0 HE2 MET A 69 9.916 3.217 -0.570 1.00 0.00 H new ATOM 0 HE3 MET A 69 9.003 2.087 0.456 1.00 0.00 H new ATOM 1045 N LYS A 70 6.457 2.680 4.273 1.00 0.00 N ATOM 1046 CA LYS A 70 6.685 1.752 5.374 1.00 0.00 C ATOM 1047 C LYS A 70 5.816 0.508 5.226 1.00 0.00 C ATOM 1048 O LYS A 70 6.240 -0.599 5.558 1.00 0.00 O ATOM 1049 CB LYS A 70 6.393 2.435 6.712 1.00 0.00 C ATOM 1050 CG LYS A 70 4.960 2.260 7.184 1.00 0.00 C ATOM 1051 CD LYS A 70 4.759 2.828 8.579 1.00 0.00 C ATOM 1052 CE LYS A 70 5.318 1.898 9.645 1.00 0.00 C ATOM 1053 NZ LYS A 70 4.676 2.124 10.970 1.00 0.00 N ATOM 0 H LYS A 70 6.325 3.650 4.560 1.00 0.00 H new ATOM 0 HA LYS A 70 7.731 1.447 5.349 1.00 0.00 H new ATOM 0 HB2 LYS A 70 7.067 2.035 7.469 1.00 0.00 H new ATOM 0 HB3 LYS A 70 6.610 3.499 6.622 1.00 0.00 H new ATOM 0 HG2 LYS A 70 4.284 2.755 6.488 1.00 0.00 H new ATOM 0 HG3 LYS A 70 4.702 1.201 7.181 1.00 0.00 H new ATOM 0 HD2 LYS A 70 5.246 3.800 8.651 1.00 0.00 H new ATOM 0 HD3 LYS A 70 3.696 2.990 8.757 1.00 0.00 H new ATOM 0 HE2 LYS A 70 5.166 0.863 9.340 1.00 0.00 H new ATOM 0 HE3 LYS A 70 6.394 2.050 9.732 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 5.084 1.471 11.669 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 4.842 3.105 11.274 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 3.653 1.954 10.894 1.00 0.00 H new ATOM 1067 N GLN A 71 4.601 0.697 4.723 1.00 0.00 N ATOM 1068 CA GLN A 71 3.673 -0.412 4.530 1.00 0.00 C ATOM 1069 C GLN A 71 4.025 -1.204 3.275 1.00 0.00 C ATOM 1070 O GLN A 71 3.893 -2.428 3.243 1.00 0.00 O ATOM 1071 CB GLN A 71 2.238 0.107 4.435 1.00 0.00 C ATOM 1072 CG GLN A 71 1.578 0.324 5.787 1.00 0.00 C ATOM 1073 CD GLN A 71 1.756 -0.858 6.720 1.00 0.00 C ATOM 1074 OE1 GLN A 71 2.287 -0.719 7.822 1.00 0.00 O ATOM 1075 NE2 GLN A 71 1.313 -2.031 6.282 1.00 0.00 N ATOM 0 H GLN A 71 4.236 1.607 4.442 1.00 0.00 H new ATOM 0 HA GLN A 71 3.755 -1.076 5.391 1.00 0.00 H new ATOM 0 HB2 GLN A 71 2.237 1.048 3.884 1.00 0.00 H new ATOM 0 HB3 GLN A 71 1.642 -0.601 3.859 1.00 0.00 H new ATOM 0 HG2 GLN A 71 1.997 1.216 6.253 1.00 0.00 H new ATOM 0 HG3 GLN A 71 0.514 0.510 5.642 1.00 0.00 H new ATOM 0 HE21 GLN A 71 0.879 -2.101 5.362 1.00 0.00 H new ATOM 0 HE22 GLN A 71 1.407 -2.862 6.866 1.00 0.00 H new ATOM 1084 N LEU A 72 4.472 -0.498 2.243 1.00 0.00 N ATOM 1085 CA LEU A 72 4.843 -1.135 0.983 1.00 0.00 C ATOM 1086 C LEU A 72 5.921 -2.191 1.204 1.00 0.00 C ATOM 1087 O LEU A 72 5.845 -3.293 0.660 1.00 0.00 O ATOM 1088 CB LEU A 72 5.336 -0.086 -0.015 1.00 0.00 C ATOM 1089 CG LEU A 72 6.016 -0.626 -1.274 1.00 0.00 C ATOM 1090 CD1 LEU A 72 5.144 -1.677 -1.943 1.00 0.00 C ATOM 1091 CD2 LEU A 72 6.324 0.508 -2.241 1.00 0.00 C ATOM 0 H LEU A 72 4.587 0.515 2.253 1.00 0.00 H new ATOM 0 HA LEU A 72 3.958 -1.626 0.577 1.00 0.00 H new ATOM 0 HB2 LEU A 72 4.486 0.525 -0.319 1.00 0.00 H new ATOM 0 HB3 LEU A 72 6.036 0.574 0.498 1.00 0.00 H new ATOM 0 HG LEU A 72 6.956 -1.095 -0.983 1.00 0.00 H new ATOM 0 HD11 LEU A 72 5.644 -2.050 -2.837 1.00 0.00 H new ATOM 0 HD12 LEU A 72 4.974 -2.502 -1.252 1.00 0.00 H new ATOM 0 HD13 LEU A 72 4.188 -1.233 -2.221 1.00 0.00 H new ATOM 0 HD21 LEU A 72 6.808 0.106 -3.131 1.00 0.00 H new ATOM 0 HD22 LEU A 72 5.397 1.006 -2.525 1.00 0.00 H new ATOM 0 HD23 LEU A 72 6.988 1.226 -1.760 1.00 0.00 H new ATOM 1103 N LEU A 73 6.923 -1.847 2.006 1.00 0.00 N ATOM 1104 CA LEU A 73 8.016 -2.766 2.301 1.00 0.00 C ATOM 1105 C LEU A 73 7.533 -3.929 3.162 1.00 0.00 C ATOM 1106 O LEU A 73 8.008 -5.057 3.024 1.00 0.00 O ATOM 1107 CB LEU A 73 9.152 -2.028 3.011 1.00 0.00 C ATOM 1108 CG LEU A 73 9.497 -0.642 2.465 1.00 0.00 C ATOM 1109 CD1 LEU A 73 10.692 -0.059 3.203 1.00 0.00 C ATOM 1110 CD2 LEU A 73 9.773 -0.712 0.970 1.00 0.00 C ATOM 0 H LEU A 73 7.001 -0.939 2.463 1.00 0.00 H new ATOM 0 HA LEU A 73 8.386 -3.166 1.357 1.00 0.00 H new ATOM 0 HB2 LEU A 73 8.890 -1.927 4.064 1.00 0.00 H new ATOM 0 HB3 LEU A 73 10.047 -2.648 2.963 1.00 0.00 H new ATOM 0 HG LEU A 73 8.642 0.014 2.626 1.00 0.00 H new ATOM 0 HD11 LEU A 73 10.922 0.927 2.800 1.00 0.00 H new ATOM 0 HD12 LEU A 73 10.457 0.028 4.264 1.00 0.00 H new ATOM 0 HD13 LEU A 73 11.554 -0.714 3.074 1.00 0.00 H new ATOM 0 HD21 LEU A 73 10.017 0.283 0.598 1.00 0.00 H new ATOM 0 HD22 LEU A 73 10.611 -1.384 0.786 1.00 0.00 H new ATOM 0 HD23 LEU A 73 8.889 -1.086 0.454 1.00 0.00 H new ATOM 1122 N LEU A 74 6.586 -3.647 4.050 1.00 0.00 N ATOM 1123 CA LEU A 74 6.036 -4.669 4.933 1.00 0.00 C ATOM 1124 C LEU A 74 5.193 -5.670 4.149 1.00 0.00 C ATOM 1125 O LEU A 74 5.311 -6.880 4.340 1.00 0.00 O ATOM 1126 CB LEU A 74 5.190 -4.022 6.031 1.00 0.00 C ATOM 1127 CG LEU A 74 5.931 -3.644 7.314 1.00 0.00 C ATOM 1128 CD1 LEU A 74 5.046 -2.790 8.209 1.00 0.00 C ATOM 1129 CD2 LEU A 74 6.392 -4.893 8.051 1.00 0.00 C ATOM 0 H LEU A 74 6.183 -2.719 4.177 1.00 0.00 H new ATOM 0 HA LEU A 74 6.868 -5.203 5.392 1.00 0.00 H new ATOM 0 HB2 LEU A 74 4.728 -3.123 5.624 1.00 0.00 H new ATOM 0 HB3 LEU A 74 4.382 -4.706 6.290 1.00 0.00 H new ATOM 0 HG LEU A 74 6.811 -3.060 7.045 1.00 0.00 H new ATOM 0 HD11 LEU A 74 5.590 -2.530 9.117 1.00 0.00 H new ATOM 0 HD12 LEU A 74 4.766 -1.879 7.681 1.00 0.00 H new ATOM 0 HD13 LEU A 74 4.147 -3.348 8.471 1.00 0.00 H new ATOM 0 HD21 LEU A 74 6.917 -4.605 8.962 1.00 0.00 H new ATOM 0 HD22 LEU A 74 5.527 -5.503 8.309 1.00 0.00 H new ATOM 0 HD23 LEU A 74 7.063 -5.466 7.411 1.00 0.00 H new ATOM 1141 N ILE A 75 4.344 -5.156 3.265 1.00 0.00 N ATOM 1142 CA ILE A 75 3.484 -6.004 2.450 1.00 0.00 C ATOM 1143 C ILE A 75 4.302 -6.830 1.462 1.00 0.00 C ATOM 1144 O ILE A 75 3.981 -7.986 1.189 1.00 0.00 O ATOM 1145 CB ILE A 75 2.447 -5.173 1.671 1.00 0.00 C ATOM 1146 CG1 ILE A 75 1.507 -4.453 2.640 1.00 0.00 C ATOM 1147 CG2 ILE A 75 1.659 -6.063 0.722 1.00 0.00 C ATOM 1148 CD1 ILE A 75 0.510 -3.547 1.952 1.00 0.00 C ATOM 0 H ILE A 75 4.234 -4.156 3.095 1.00 0.00 H new ATOM 0 HA ILE A 75 2.962 -6.672 3.134 1.00 0.00 H new ATOM 0 HB ILE A 75 2.973 -4.423 1.080 1.00 0.00 H new ATOM 0 HG12 ILE A 75 0.967 -5.195 3.228 1.00 0.00 H new ATOM 0 HG13 ILE A 75 2.100 -3.863 3.339 1.00 0.00 H new ATOM 0 HG21 ILE A 75 0.930 -5.461 0.179 1.00 0.00 H new ATOM 0 HG22 ILE A 75 2.341 -6.533 0.014 1.00 0.00 H new ATOM 0 HG23 ILE A 75 1.140 -6.833 1.292 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -0.124 -3.069 2.699 1.00 0.00 H new ATOM 0 HD12 ILE A 75 1.043 -2.783 1.386 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -0.109 -4.135 1.274 1.00 0.00 H new ATOM 1160 N GLN A 76 5.362 -6.228 0.932 1.00 0.00 N ATOM 1161 CA GLN A 76 6.227 -6.908 -0.024 1.00 0.00 C ATOM 1162 C GLN A 76 6.863 -8.146 0.601 1.00 0.00 C ATOM 1163 O GLN A 76 6.683 -9.260 0.112 1.00 0.00 O ATOM 1164 CB GLN A 76 7.317 -5.958 -0.524 1.00 0.00 C ATOM 1165 CG GLN A 76 6.898 -5.130 -1.728 1.00 0.00 C ATOM 1166 CD GLN A 76 8.076 -4.696 -2.577 1.00 0.00 C ATOM 1167 OE1 GLN A 76 9.118 -5.353 -2.596 1.00 0.00 O ATOM 1168 NE2 GLN A 76 7.918 -3.584 -3.285 1.00 0.00 N ATOM 0 H GLN A 76 5.642 -5.271 1.148 1.00 0.00 H new ATOM 0 HA GLN A 76 5.614 -7.224 -0.869 1.00 0.00 H new ATOM 0 HB2 GLN A 76 7.602 -5.287 0.286 1.00 0.00 H new ATOM 0 HB3 GLN A 76 8.202 -6.539 -0.783 1.00 0.00 H new ATOM 0 HG2 GLN A 76 6.208 -5.710 -2.341 1.00 0.00 H new ATOM 0 HG3 GLN A 76 6.357 -4.248 -1.387 1.00 0.00 H new ATOM 0 HE21 GLN A 76 7.038 -3.071 -3.239 1.00 0.00 H new ATOM 0 HE22 GLN A 76 8.677 -3.243 -3.875 1.00 0.00 H new ATOM 1177 N GLU A 77 7.605 -7.940 1.684 1.00 0.00 N ATOM 1178 CA GLU A 77 8.268 -9.040 2.375 1.00 0.00 C ATOM 1179 C GLU A 77 7.256 -10.095 2.815 1.00 0.00 C ATOM 1180 O GLU A 77 7.547 -11.291 2.805 1.00 0.00 O ATOM 1181 CB GLU A 77 9.038 -8.519 3.590 1.00 0.00 C ATOM 1182 CG GLU A 77 8.201 -7.652 4.515 1.00 0.00 C ATOM 1183 CD GLU A 77 7.449 -8.463 5.553 1.00 0.00 C ATOM 1184 OE1 GLU A 77 7.399 -9.703 5.413 1.00 0.00 O ATOM 1185 OE2 GLU A 77 6.910 -7.858 6.503 1.00 0.00 O ATOM 0 H GLU A 77 7.762 -7.023 2.102 1.00 0.00 H new ATOM 0 HA GLU A 77 8.970 -9.501 1.680 1.00 0.00 H new ATOM 0 HB2 GLU A 77 9.427 -9.367 4.154 1.00 0.00 H new ATOM 0 HB3 GLU A 77 9.897 -7.944 3.246 1.00 0.00 H new ATOM 0 HG2 GLU A 77 8.849 -6.935 5.019 1.00 0.00 H new ATOM 0 HG3 GLU A 77 7.489 -7.077 3.923 1.00 0.00 H new ATOM 1192 N ARG A 78 6.068 -9.642 3.200 1.00 0.00 N ATOM 1193 CA ARG A 78 5.013 -10.545 3.645 1.00 0.00 C ATOM 1194 C ARG A 78 4.547 -11.442 2.502 1.00 0.00 C ATOM 1195 O ARG A 78 4.119 -12.574 2.724 1.00 0.00 O ATOM 1196 CB ARG A 78 3.830 -9.749 4.198 1.00 0.00 C ATOM 1197 CG ARG A 78 4.070 -9.187 5.590 1.00 0.00 C ATOM 1198 CD ARG A 78 4.063 -10.285 6.642 1.00 0.00 C ATOM 1199 NE ARG A 78 2.720 -10.810 6.876 1.00 0.00 N ATOM 1200 CZ ARG A 78 1.815 -10.200 7.634 1.00 0.00 C ATOM 1201 NH1 ARG A 78 2.107 -9.051 8.227 1.00 0.00 N ATOM 1202 NH2 ARG A 78 0.614 -10.740 7.799 1.00 0.00 N ATOM 0 H ARG A 78 5.811 -8.655 3.213 1.00 0.00 H new ATOM 0 HA ARG A 78 5.419 -11.175 4.436 1.00 0.00 H new ATOM 0 HB2 ARG A 78 3.606 -8.927 3.518 1.00 0.00 H new ATOM 0 HB3 ARG A 78 2.950 -10.392 4.222 1.00 0.00 H new ATOM 0 HG2 ARG A 78 5.027 -8.665 5.613 1.00 0.00 H new ATOM 0 HG3 ARG A 78 3.300 -8.452 5.825 1.00 0.00 H new ATOM 0 HD2 ARG A 78 4.719 -11.096 6.324 1.00 0.00 H new ATOM 0 HD3 ARG A 78 4.468 -9.895 7.576 1.00 0.00 H new ATOM 0 HE ARG A 78 2.463 -11.692 6.434 1.00 0.00 H new ATOM 0 HH11 ARG A 78 3.029 -8.632 8.102 1.00 0.00 H new ATOM 0 HH12 ARG A 78 1.410 -8.585 8.808 1.00 0.00 H new ATOM 0 HH21 ARG A 78 0.385 -11.624 7.344 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -0.080 -10.271 8.381 1.00 0.00 H new ATOM 1216 N TRP A 79 4.634 -10.927 1.281 1.00 0.00 N ATOM 1217 CA TRP A 79 4.220 -11.681 0.103 1.00 0.00 C ATOM 1218 C TRP A 79 5.255 -12.743 -0.255 1.00 0.00 C ATOM 1219 O TRP A 79 4.967 -13.940 -0.224 1.00 0.00 O ATOM 1220 CB TRP A 79 4.008 -10.739 -1.083 1.00 0.00 C ATOM 1221 CG TRP A 79 3.257 -11.370 -2.216 1.00 0.00 C ATOM 1222 CD1 TRP A 79 2.472 -12.486 -2.158 1.00 0.00 C ATOM 1223 CD2 TRP A 79 3.221 -10.922 -3.575 1.00 0.00 C ATOM 1224 NE1 TRP A 79 1.951 -12.759 -3.400 1.00 0.00 N ATOM 1225 CE2 TRP A 79 2.394 -11.814 -4.286 1.00 0.00 C ATOM 1226 CE3 TRP A 79 3.805 -9.853 -4.261 1.00 0.00 C ATOM 1227 CZ2 TRP A 79 2.140 -11.668 -5.648 1.00 0.00 C ATOM 1228 CZ3 TRP A 79 3.552 -9.710 -5.612 1.00 0.00 C ATOM 1229 CH2 TRP A 79 2.725 -10.613 -6.293 1.00 0.00 C ATOM 0 H TRP A 79 4.987 -9.991 1.081 1.00 0.00 H new ATOM 0 HA TRP A 79 3.279 -12.180 0.334 1.00 0.00 H new ATOM 0 HB2 TRP A 79 3.466 -9.856 -0.744 1.00 0.00 H new ATOM 0 HB3 TRP A 79 4.978 -10.398 -1.445 1.00 0.00 H new ATOM 0 HD1 TRP A 79 2.288 -13.068 -1.267 1.00 0.00 H new ATOM 0 HE1 TRP A 79 1.334 -13.539 -3.625 1.00 0.00 H new ATOM 0 HE3 TRP A 79 4.443 -9.151 -3.744 1.00 0.00 H new ATOM 0 HZ2 TRP A 79 1.504 -12.363 -6.176 1.00 0.00 H new ATOM 0 HZ3 TRP A 79 3.999 -8.888 -6.152 1.00 0.00 H new ATOM 0 HH2 TRP A 79 2.546 -10.473 -7.349 1.00 0.00 H new ATOM 1240 N LYS A 80 6.460 -12.298 -0.593 1.00 0.00 N ATOM 1241 CA LYS A 80 7.539 -13.210 -0.955 1.00 0.00 C ATOM 1242 C LYS A 80 7.580 -14.407 -0.010 1.00 0.00 C ATOM 1243 O LYS A 80 7.741 -15.547 -0.445 1.00 0.00 O ATOM 1244 CB LYS A 80 8.883 -12.479 -0.927 1.00 0.00 C ATOM 1245 CG LYS A 80 9.258 -11.947 0.445 1.00 0.00 C ATOM 1246 CD LYS A 80 10.562 -11.168 0.404 1.00 0.00 C ATOM 1247 CE LYS A 80 11.248 -11.156 1.761 1.00 0.00 C ATOM 1248 NZ LYS A 80 12.536 -10.411 1.726 1.00 0.00 N ATOM 0 H LYS A 80 6.714 -11.311 -0.624 1.00 0.00 H new ATOM 0 HA LYS A 80 7.350 -13.573 -1.965 1.00 0.00 H new ATOM 0 HB2 LYS A 80 9.664 -13.158 -1.270 1.00 0.00 H new ATOM 0 HB3 LYS A 80 8.850 -11.649 -1.633 1.00 0.00 H new ATOM 0 HG2 LYS A 80 8.461 -11.304 0.817 1.00 0.00 H new ATOM 0 HG3 LYS A 80 9.351 -12.777 1.145 1.00 0.00 H new ATOM 0 HD2 LYS A 80 11.228 -11.610 -0.337 1.00 0.00 H new ATOM 0 HD3 LYS A 80 10.365 -10.144 0.086 1.00 0.00 H new ATOM 0 HE2 LYS A 80 10.586 -10.702 2.498 1.00 0.00 H new ATOM 0 HE3 LYS A 80 11.430 -12.181 2.085 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 12.972 -10.426 2.670 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 13.178 -10.859 1.041 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 12.360 -9.426 1.442 1.00 0.00 H new ATOM 1262 N ARG A 81 7.431 -14.139 1.283 1.00 0.00 N ATOM 1263 CA ARG A 81 7.451 -15.195 2.288 1.00 0.00 C ATOM 1264 C ARG A 81 6.390 -16.250 1.990 1.00 0.00 C ATOM 1265 O ARG A 81 6.693 -17.438 1.887 1.00 0.00 O ATOM 1266 CB ARG A 81 7.222 -14.606 3.682 1.00 0.00 C ATOM 1267 CG ARG A 81 8.506 -14.227 4.401 1.00 0.00 C ATOM 1268 CD ARG A 81 9.059 -15.395 5.204 1.00 0.00 C ATOM 1269 NE ARG A 81 9.971 -14.952 6.256 1.00 0.00 N ATOM 1270 CZ ARG A 81 10.308 -15.702 7.300 1.00 0.00 C ATOM 1271 NH1 ARG A 81 9.811 -16.924 7.430 1.00 0.00 N ATOM 1272 NH2 ARG A 81 11.143 -15.229 8.216 1.00 0.00 N ATOM 0 H ARG A 81 7.295 -13.201 1.659 1.00 0.00 H new ATOM 0 HA ARG A 81 8.431 -15.672 2.258 1.00 0.00 H new ATOM 0 HB2 ARG A 81 6.590 -13.722 3.594 1.00 0.00 H new ATOM 0 HB3 ARG A 81 6.676 -15.329 4.288 1.00 0.00 H new ATOM 0 HG2 ARG A 81 9.249 -13.900 3.674 1.00 0.00 H new ATOM 0 HG3 ARG A 81 8.317 -13.384 5.065 1.00 0.00 H new ATOM 0 HD2 ARG A 81 8.234 -15.952 5.650 1.00 0.00 H new ATOM 0 HD3 ARG A 81 9.581 -16.080 4.536 1.00 0.00 H new ATOM 0 HE ARG A 81 10.371 -14.016 6.185 1.00 0.00 H new ATOM 0 HH11 ARG A 81 9.168 -17.291 6.728 1.00 0.00 H new ATOM 0 HH12 ARG A 81 10.071 -17.498 8.232 1.00 0.00 H new ATOM 0 HH21 ARG A 81 11.527 -14.289 8.119 1.00 0.00 H new ATOM 0 HH22 ARG A 81 11.401 -15.805 9.017 1.00 0.00 H new ATOM 1286 N ALA A 82 5.144 -15.807 1.853 1.00 0.00 N ATOM 1287 CA ALA A 82 4.039 -16.712 1.565 1.00 0.00 C ATOM 1288 C ALA A 82 4.370 -17.628 0.392 1.00 0.00 C ATOM 1289 O ALA A 82 4.136 -18.835 0.447 1.00 0.00 O ATOM 1290 CB ALA A 82 2.770 -15.922 1.278 1.00 0.00 C ATOM 0 H ALA A 82 4.875 -14.827 1.937 1.00 0.00 H new ATOM 0 HA ALA A 82 3.875 -17.336 2.444 1.00 0.00 H new ATOM 0 HB1 ALA A 82 1.953 -16.611 1.065 1.00 0.00 H new ATOM 0 HB2 ALA A 82 2.515 -15.315 2.147 1.00 0.00 H new ATOM 0 HB3 ALA A 82 2.932 -15.274 0.417 1.00 0.00 H new ATOM 1296 N LYS A 83 4.916 -17.046 -0.671 1.00 0.00 N ATOM 1297 CA LYS A 83 5.281 -17.809 -1.859 1.00 0.00 C ATOM 1298 C LYS A 83 5.765 -19.206 -1.481 1.00 0.00 C ATOM 1299 O LYS A 83 5.403 -20.193 -2.122 1.00 0.00 O ATOM 1300 CB LYS A 83 6.370 -17.077 -2.646 1.00 0.00 C ATOM 1301 CG LYS A 83 5.964 -15.683 -3.093 1.00 0.00 C ATOM 1302 CD LYS A 83 4.963 -15.733 -4.235 1.00 0.00 C ATOM 1303 CE LYS A 83 5.046 -14.487 -5.103 1.00 0.00 C ATOM 1304 NZ LYS A 83 4.279 -14.642 -6.370 1.00 0.00 N ATOM 0 H LYS A 83 5.115 -16.048 -0.734 1.00 0.00 H new ATOM 0 HA LYS A 83 4.393 -17.907 -2.484 1.00 0.00 H new ATOM 0 HB2 LYS A 83 7.266 -17.005 -2.030 1.00 0.00 H new ATOM 0 HB3 LYS A 83 6.633 -17.669 -3.523 1.00 0.00 H new ATOM 0 HG2 LYS A 83 5.531 -15.142 -2.252 1.00 0.00 H new ATOM 0 HG3 LYS A 83 6.848 -15.129 -3.407 1.00 0.00 H new ATOM 0 HD2 LYS A 83 5.150 -16.616 -4.846 1.00 0.00 H new ATOM 0 HD3 LYS A 83 3.955 -15.831 -3.833 1.00 0.00 H new ATOM 0 HE2 LYS A 83 4.661 -13.631 -4.548 1.00 0.00 H new ATOM 0 HE3 LYS A 83 6.090 -14.274 -5.334 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 4.360 -13.772 -6.934 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 4.662 -15.443 -6.912 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 3.278 -14.820 -6.150 1.00 0.00 H new ATOM 1318 N ARG A 84 6.582 -19.281 -0.436 1.00 0.00 N ATOM 1319 CA ARG A 84 7.114 -20.557 0.027 1.00 0.00 C ATOM 1320 C ARG A 84 6.201 -21.177 1.081 1.00 0.00 C ATOM 1321 O ARG A 84 5.923 -22.375 1.047 1.00 0.00 O ATOM 1322 CB ARG A 84 8.520 -20.370 0.601 1.00 0.00 C ATOM 1323 CG ARG A 84 8.641 -19.179 1.538 1.00 0.00 C ATOM 1324 CD ARG A 84 10.003 -19.138 2.214 1.00 0.00 C ATOM 1325 NE ARG A 84 10.397 -17.778 2.570 1.00 0.00 N ATOM 1326 CZ ARG A 84 11.627 -17.443 2.943 1.00 0.00 C ATOM 1327 NH1 ARG A 84 12.578 -18.365 3.007 1.00 0.00 N ATOM 1328 NH2 ARG A 84 11.908 -16.183 3.251 1.00 0.00 N ATOM 0 H ARG A 84 6.890 -18.474 0.106 1.00 0.00 H new ATOM 0 HA ARG A 84 7.165 -21.232 -0.827 1.00 0.00 H new ATOM 0 HB2 ARG A 84 8.808 -21.274 1.137 1.00 0.00 H new ATOM 0 HB3 ARG A 84 9.226 -20.248 -0.221 1.00 0.00 H new ATOM 0 HG2 ARG A 84 8.483 -18.257 0.978 1.00 0.00 H new ATOM 0 HG3 ARG A 84 7.859 -19.230 2.296 1.00 0.00 H new ATOM 0 HD2 ARG A 84 9.981 -19.756 3.112 1.00 0.00 H new ATOM 0 HD3 ARG A 84 10.751 -19.570 1.549 1.00 0.00 H new ATOM 0 HE ARG A 84 9.689 -17.045 2.530 1.00 0.00 H new ATOM 0 HH11 ARG A 84 12.366 -19.334 2.769 1.00 0.00 H new ATOM 0 HH12 ARG A 84 13.522 -18.105 3.294 1.00 0.00 H new ATOM 0 HH21 ARG A 84 11.179 -15.471 3.201 1.00 0.00 H new ATOM 0 HH22 ARG A 84 12.853 -15.927 3.537 1.00 0.00 H new ATOM 1342 N GLU A 85 5.740 -20.352 2.016 1.00 0.00 N ATOM 1343 CA GLU A 85 4.859 -20.821 3.080 1.00 0.00 C ATOM 1344 C GLU A 85 3.564 -21.387 2.504 1.00 0.00 C ATOM 1345 O GLU A 85 3.310 -22.588 2.587 1.00 0.00 O ATOM 1346 CB GLU A 85 4.544 -19.680 4.050 1.00 0.00 C ATOM 1347 CG GLU A 85 5.776 -18.933 4.532 1.00 0.00 C ATOM 1348 CD GLU A 85 5.605 -18.366 5.928 1.00 0.00 C ATOM 1349 OE1 GLU A 85 4.540 -17.772 6.200 1.00 0.00 O ATOM 1350 OE2 GLU A 85 6.535 -18.514 6.747 1.00 0.00 O ATOM 0 H GLU A 85 5.961 -19.357 2.059 1.00 0.00 H new ATOM 0 HA GLU A 85 5.373 -21.616 3.620 1.00 0.00 H new ATOM 0 HB2 GLU A 85 3.870 -18.976 3.562 1.00 0.00 H new ATOM 0 HB3 GLU A 85 4.014 -20.084 4.913 1.00 0.00 H new ATOM 0 HG2 GLU A 85 6.633 -19.607 4.520 1.00 0.00 H new ATOM 0 HG3 GLU A 85 5.999 -18.122 3.839 1.00 0.00 H new ATOM 1357 N GLU A 86 2.750 -20.512 1.923 1.00 0.00 N ATOM 1358 CA GLU A 86 1.481 -20.925 1.335 1.00 0.00 C ATOM 1359 C GLU A 86 1.622 -22.266 0.621 1.00 0.00 C ATOM 1360 O GLU A 86 0.910 -23.222 0.927 1.00 0.00 O ATOM 1361 CB GLU A 86 0.977 -19.863 0.355 1.00 0.00 C ATOM 1362 CG GLU A 86 -0.478 -20.043 -0.044 1.00 0.00 C ATOM 1363 CD GLU A 86 -0.642 -20.921 -1.269 1.00 0.00 C ATOM 1364 OE1 GLU A 86 0.334 -21.064 -2.033 1.00 0.00 O ATOM 1365 OE2 GLU A 86 -1.750 -21.466 -1.462 1.00 0.00 O ATOM 0 H GLU A 86 2.946 -19.514 1.847 1.00 0.00 H new ATOM 0 HA GLU A 86 0.757 -21.037 2.142 1.00 0.00 H new ATOM 0 HB2 GLU A 86 1.102 -18.878 0.804 1.00 0.00 H new ATOM 0 HB3 GLU A 86 1.596 -19.886 -0.542 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -1.028 -20.481 0.789 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -0.921 -19.066 -0.240 1.00 0.00 H new ATOM 1372 N ARG A 87 2.546 -22.327 -0.332 1.00 0.00 N ATOM 1373 CA ARG A 87 2.781 -23.549 -1.092 1.00 0.00 C ATOM 1374 C ARG A 87 3.064 -24.723 -0.159 1.00 0.00 C ATOM 1375 O ARG A 87 2.487 -25.801 -0.306 1.00 0.00 O ATOM 1376 CB ARG A 87 3.951 -23.358 -2.058 1.00 0.00 C ATOM 1377 CG ARG A 87 3.541 -22.784 -3.405 1.00 0.00 C ATOM 1378 CD ARG A 87 2.790 -23.808 -4.242 1.00 0.00 C ATOM 1379 NE ARG A 87 3.671 -24.862 -4.737 1.00 0.00 N ATOM 1380 CZ ARG A 87 4.467 -24.719 -5.792 1.00 0.00 C ATOM 1381 NH1 ARG A 87 4.492 -23.572 -6.457 1.00 0.00 N ATOM 1382 NH2 ARG A 87 5.240 -25.724 -6.182 1.00 0.00 N ATOM 0 H ARG A 87 3.144 -21.544 -0.596 1.00 0.00 H new ATOM 0 HA ARG A 87 1.880 -23.770 -1.664 1.00 0.00 H new ATOM 0 HB2 ARG A 87 4.686 -22.697 -1.599 1.00 0.00 H new ATOM 0 HB3 ARG A 87 4.441 -24.319 -2.216 1.00 0.00 H new ATOM 0 HG2 ARG A 87 2.913 -21.907 -3.252 1.00 0.00 H new ATOM 0 HG3 ARG A 87 4.427 -22.451 -3.945 1.00 0.00 H new ATOM 0 HD2 ARG A 87 1.994 -24.252 -3.644 1.00 0.00 H new ATOM 0 HD3 ARG A 87 2.314 -23.308 -5.085 1.00 0.00 H new ATOM 0 HE ARG A 87 3.676 -25.756 -4.247 1.00 0.00 H new ATOM 0 HH11 ARG A 87 3.900 -22.797 -6.159 1.00 0.00 H new ATOM 0 HH12 ARG A 87 5.104 -23.465 -7.266 1.00 0.00 H new ATOM 0 HH21 ARG A 87 5.224 -26.607 -5.672 1.00 0.00 H new ATOM 0 HH22 ARG A 87 5.850 -25.613 -6.992 1.00 0.00 H new ATOM 1396 N LEU A 88 3.957 -24.507 0.801 1.00 0.00 N ATOM 1397 CA LEU A 88 4.318 -25.547 1.758 1.00 0.00 C ATOM 1398 C LEU A 88 3.083 -26.073 2.483 1.00 0.00 C ATOM 1399 O LEU A 88 2.842 -27.279 2.526 1.00 0.00 O ATOM 1400 CB LEU A 88 5.327 -25.005 2.773 1.00 0.00 C ATOM 1401 CG LEU A 88 6.781 -24.939 2.304 1.00 0.00 C ATOM 1402 CD1 LEU A 88 7.595 -24.035 3.216 1.00 0.00 C ATOM 1403 CD2 LEU A 88 7.388 -26.333 2.252 1.00 0.00 C ATOM 0 H LEU A 88 4.444 -23.621 0.937 1.00 0.00 H new ATOM 0 HA LEU A 88 4.772 -26.371 1.208 1.00 0.00 H new ATOM 0 HB2 LEU A 88 5.015 -24.003 3.066 1.00 0.00 H new ATOM 0 HB3 LEU A 88 5.282 -25.627 3.667 1.00 0.00 H new ATOM 0 HG LEU A 88 6.800 -24.518 1.299 1.00 0.00 H new ATOM 0 HD11 LEU A 88 8.627 -24.000 2.867 1.00 0.00 H new ATOM 0 HD12 LEU A 88 7.173 -23.030 3.203 1.00 0.00 H new ATOM 0 HD13 LEU A 88 7.569 -24.426 4.233 1.00 0.00 H new ATOM 0 HD21 LEU A 88 8.423 -26.267 1.916 1.00 0.00 H new ATOM 0 HD22 LEU A 88 7.357 -26.781 3.245 1.00 0.00 H new ATOM 0 HD23 LEU A 88 6.820 -26.952 1.557 1.00 0.00 H new ATOM 1415 N LYS A 89 2.302 -25.159 3.049 1.00 0.00 N ATOM 1416 CA LYS A 89 1.090 -25.529 3.769 1.00 0.00 C ATOM 1417 C LYS A 89 0.027 -26.055 2.810 1.00 0.00 C ATOM 1418 O LYS A 89 -0.953 -26.670 3.231 1.00 0.00 O ATOM 1419 CB LYS A 89 0.544 -24.327 4.542 1.00 0.00 C ATOM 1420 CG LYS A 89 -0.251 -23.360 3.682 1.00 0.00 C ATOM 1421 CD LYS A 89 -1.026 -22.366 4.530 1.00 0.00 C ATOM 1422 CE LYS A 89 -2.298 -21.910 3.832 1.00 0.00 C ATOM 1423 NZ LYS A 89 -2.056 -20.738 2.946 1.00 0.00 N ATOM 0 H LYS A 89 2.487 -24.156 3.023 1.00 0.00 H new ATOM 0 HA LYS A 89 1.344 -26.321 4.473 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -0.091 -24.685 5.353 1.00 0.00 H new ATOM 0 HB3 LYS A 89 1.376 -23.792 5.001 1.00 0.00 H new ATOM 0 HG2 LYS A 89 0.425 -22.823 3.017 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -0.943 -23.918 3.050 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -1.279 -22.822 5.487 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -0.398 -21.502 4.745 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -2.704 -22.733 3.243 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -3.049 -21.652 4.579 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -2.589 -19.918 3.301 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -1.041 -20.513 2.937 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -2.370 -20.962 1.980 1.00 0.00 H new ATOM 1437 N ALA A 90 0.227 -25.811 1.519 1.00 0.00 N ATOM 1438 CA ALA A 90 -0.712 -26.263 0.501 1.00 0.00 C ATOM 1439 C ALA A 90 -0.362 -27.665 0.015 1.00 0.00 C ATOM 1440 O ALA A 90 0.754 -28.144 0.220 1.00 0.00 O ATOM 1441 CB ALA A 90 -0.734 -25.288 -0.667 1.00 0.00 C ATOM 0 H ALA A 90 1.032 -25.302 1.154 1.00 0.00 H new ATOM 0 HA ALA A 90 -1.705 -26.299 0.949 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -1.440 -25.638 -1.420 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -1.040 -24.303 -0.313 1.00 0.00 H new ATOM 0 HB3 ALA A 90 0.262 -25.223 -1.105 1.00 0.00 H new ATOM 1447 N HIS A 91 -1.323 -28.321 -0.628 1.00 0.00 N ATOM 1448 CA HIS A 91 -1.116 -29.670 -1.143 1.00 0.00 C ATOM 1449 C HIS A 91 -0.864 -29.644 -2.648 1.00 0.00 C ATOM 1450 O HIS A 91 -1.797 -29.751 -3.445 1.00 0.00 O ATOM 1451 CB HIS A 91 -2.327 -30.549 -0.832 1.00 0.00 C ATOM 1452 CG HIS A 91 -2.114 -31.997 -1.151 1.00 0.00 C ATOM 1453 ND1 HIS A 91 -0.996 -32.699 -0.752 1.00 0.00 N ATOM 1454 CD2 HIS A 91 -2.885 -32.875 -1.834 1.00 0.00 C ATOM 1455 CE1 HIS A 91 -1.088 -33.946 -1.178 1.00 0.00 C ATOM 1456 NE2 HIS A 91 -2.225 -34.080 -1.837 1.00 0.00 N ATOM 0 H HIS A 91 -2.253 -27.940 -0.805 1.00 0.00 H new ATOM 0 HA HIS A 91 -0.237 -30.089 -0.652 1.00 0.00 H new ATOM 0 HB2 HIS A 91 -2.575 -30.451 0.225 1.00 0.00 H new ATOM 0 HB3 HIS A 91 -3.185 -30.184 -1.396 1.00 0.00 H new ATOM 0 HD2 HIS A 91 -3.841 -32.667 -2.291 1.00 0.00 H new ATOM 0 HE1 HIS A 91 -0.357 -34.724 -1.015 1.00 0.00 H new ATOM 0 HE2 HIS A 91 -2.559 -34.938 -2.276 1.00 0.00 H new ATOM 1465 N SER A 92 0.401 -29.500 -3.030 1.00 0.00 N ATOM 1466 CA SER A 92 0.774 -29.456 -4.438 1.00 0.00 C ATOM 1467 C SER A 92 0.766 -30.855 -5.047 1.00 0.00 C ATOM 1468 O SER A 92 1.816 -31.465 -5.244 1.00 0.00 O ATOM 1469 CB SER A 92 2.158 -28.824 -4.602 1.00 0.00 C ATOM 1470 OG SER A 92 2.388 -28.440 -5.946 1.00 0.00 O ATOM 0 H SER A 92 1.185 -29.412 -2.383 1.00 0.00 H new ATOM 0 HA SER A 92 0.039 -28.846 -4.963 1.00 0.00 H new ATOM 0 HB2 SER A 92 2.243 -27.953 -3.952 1.00 0.00 H new ATOM 0 HB3 SER A 92 2.924 -29.532 -4.287 1.00 0.00 H new ATOM 0 HG SER A 92 3.278 -28.038 -6.023 1.00 0.00 H new ATOM 1476 N GLY A 93 -0.429 -31.358 -5.343 1.00 0.00 N ATOM 1477 CA GLY A 93 -0.553 -32.681 -5.926 1.00 0.00 C ATOM 1478 C GLY A 93 0.505 -33.640 -5.417 1.00 0.00 C ATOM 1479 O GLY A 93 0.364 -34.246 -4.354 1.00 0.00 O ATOM 0 H GLY A 93 -1.313 -30.873 -5.189 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -1.541 -33.082 -5.702 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -0.479 -32.605 -7.011 1.00 0.00 H new ATOM 1483 N PRO A 94 1.593 -33.790 -6.186 1.00 0.00 N ATOM 1484 CA PRO A 94 2.699 -34.683 -5.827 1.00 0.00 C ATOM 1485 C PRO A 94 3.495 -34.169 -4.632 1.00 0.00 C ATOM 1486 O PRO A 94 4.523 -33.512 -4.795 1.00 0.00 O ATOM 1487 CB PRO A 94 3.571 -34.691 -7.086 1.00 0.00 C ATOM 1488 CG PRO A 94 3.271 -33.398 -7.762 1.00 0.00 C ATOM 1489 CD PRO A 94 1.828 -33.100 -7.465 1.00 0.00 C ATOM 0 HA PRO A 94 2.345 -35.670 -5.530 1.00 0.00 H new ATOM 0 HB2 PRO A 94 4.629 -34.770 -6.835 1.00 0.00 H new ATOM 0 HB3 PRO A 94 3.332 -35.539 -7.728 1.00 0.00 H new ATOM 0 HG2 PRO A 94 3.918 -32.604 -7.390 1.00 0.00 H new ATOM 0 HG3 PRO A 94 3.441 -33.471 -8.836 1.00 0.00 H new ATOM 0 HD2 PRO A 94 1.648 -32.028 -7.382 1.00 0.00 H new ATOM 0 HD3 PRO A 94 1.171 -33.474 -8.250 1.00 0.00 H new ATOM 1497 N SER A 95 3.012 -34.472 -3.431 1.00 0.00 N ATOM 1498 CA SER A 95 3.677 -34.037 -2.208 1.00 0.00 C ATOM 1499 C SER A 95 4.349 -35.214 -1.508 1.00 0.00 C ATOM 1500 O SER A 95 3.866 -36.344 -1.567 1.00 0.00 O ATOM 1501 CB SER A 95 2.672 -33.374 -1.265 1.00 0.00 C ATOM 1502 OG SER A 95 3.323 -32.817 -0.136 1.00 0.00 O ATOM 0 H SER A 95 2.163 -35.017 -3.279 1.00 0.00 H new ATOM 0 HA SER A 95 4.444 -33.311 -2.478 1.00 0.00 H new ATOM 0 HB2 SER A 95 2.129 -32.593 -1.798 1.00 0.00 H new ATOM 0 HB3 SER A 95 1.936 -34.108 -0.939 1.00 0.00 H new ATOM 0 HG SER A 95 2.659 -32.398 0.451 1.00 0.00 H new ATOM 1508 N SER A 96 5.468 -34.939 -0.845 1.00 0.00 N ATOM 1509 CA SER A 96 6.210 -35.974 -0.136 1.00 0.00 C ATOM 1510 C SER A 96 6.142 -35.756 1.373 1.00 0.00 C ATOM 1511 O SER A 96 6.374 -34.651 1.862 1.00 0.00 O ATOM 1512 CB SER A 96 7.670 -35.990 -0.594 1.00 0.00 C ATOM 1513 OG SER A 96 8.292 -34.738 -0.359 1.00 0.00 O ATOM 0 H SER A 96 5.880 -34.008 -0.784 1.00 0.00 H new ATOM 0 HA SER A 96 5.753 -36.936 -0.368 1.00 0.00 H new ATOM 0 HB2 SER A 96 8.212 -36.774 -0.065 1.00 0.00 H new ATOM 0 HB3 SER A 96 7.719 -36.230 -1.656 1.00 0.00 H new ATOM 0 HG SER A 96 9.224 -34.775 -0.659 1.00 0.00 H new ATOM 1519 N GLY A 97 5.821 -36.819 2.104 1.00 0.00 N ATOM 1520 CA GLY A 97 5.726 -36.723 3.549 1.00 0.00 C ATOM 1521 C GLY A 97 4.620 -35.789 3.998 1.00 0.00 C ATOM 1522 O GLY A 97 4.395 -35.613 5.195 1.00 0.00 O ATOM 0 H GLY A 97 5.625 -37.744 1.722 1.00 0.00 H new ATOM 0 HA2 GLY A 97 5.550 -37.715 3.965 1.00 0.00 H new ATOM 0 HA3 GLY A 97 6.677 -36.373 3.950 1.00 0.00 H new TER 1526 GLY A 97