USER MOD reduce.3.24.130724 H: found=0, std=0, add=670, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 665 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 26 THR OG1 : rot -133:sc= 0.505 USER MOD Set 1.2: A 75 MET CE :methyl -143:sc= -3.76! (180deg=-6.03!) USER MOD Set 2.1: A 18 SER OG : rot -110:sc= 0.967 USER MOD Set 2.2: A 21 HIS : no HD1:sc= 0.753 K(o=1.7,f=-6.3!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot -45:sc= 0.958 USER MOD Single : A 3 SER OG : rot 180:sc= -0.0799 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 SER OG : rot -130:sc= 0.0799 USER MOD Single : A 20 LYS NZ :NH3+ -158:sc= 0.462 (180deg=0.26) USER MOD Single : A 22 TYR OH : rot 180:sc= -0.0202 USER MOD Single : A 24 GLN :FLIP amide:sc= -1.13 F(o=-2.2!,f=-1.1) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 SER OG : rot -91:sc= 0.533 USER MOD Single : A 41 ASN : amide:sc= -1.44 X(o=-1.4,f=-0.96) USER MOD Single : A 43 THR OG1 : rot -14:sc= 0.773 USER MOD Single : A 44 TYR OH : rot 30:sc= 0 USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 ASN : amide:sc= -0.0177 X(o=-0.018,f=-0.018) USER MOD Single : A 51 ASN : amide:sc= -2.41! C(o=-2.4!,f=-2.9!) USER MOD Single : A 56 GLN : amide:sc= -3.9! C(o=-3.9!,f=-3.6!) USER MOD Single : A 57 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 58 HIS : no HD1:sc= -2.06 K(o=-2.1,f=-2.9!) USER MOD Single : A 60 ASN : amide:sc= 0 K(o=0,f=-0.57) USER MOD Single : A 61 GLN : amide:sc= -6.39! C(o=-6.4!,f=-11!) USER MOD Single : A 63 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 64 TYR OH : rot 30:sc= -0.0597 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 LYS NZ :NH3+ 166:sc= 0 (180deg=-0.317) USER MOD Single : A 70 CYS SG : rot 150:sc= -0.177 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 GLN : amide:sc= 0 X(o=0,f=-0.5) USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 87 SER OG : rot 48:sc= 0.416 USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 7.895 19.528 4.132 1.00 0.00 N ATOM 2 CA GLY A 1 6.777 18.831 3.523 1.00 0.00 C ATOM 3 C GLY A 1 6.554 19.244 2.081 1.00 0.00 C ATOM 4 O GLY A 1 6.648 18.421 1.171 1.00 0.00 O ATOM 0 H1 GLY A 1 8.007 19.212 5.116 1.00 0.00 H new ATOM 0 H2 GLY A 1 8.765 19.320 3.601 1.00 0.00 H new ATOM 0 H3 GLY A 1 7.716 20.552 4.116 1.00 0.00 H new ATOM 0 HA2 GLY A 1 6.955 17.757 3.567 1.00 0.00 H new ATOM 0 HA3 GLY A 1 5.873 19.028 4.099 1.00 0.00 H new ATOM 8 N SER A 2 6.254 20.522 1.873 1.00 0.00 N ATOM 9 CA SER A 2 6.010 21.041 0.532 1.00 0.00 C ATOM 10 C SER A 2 4.847 20.309 -0.130 1.00 0.00 C ATOM 11 O SER A 2 4.902 19.978 -1.315 1.00 0.00 O ATOM 12 CB SER A 2 7.269 20.905 -0.327 1.00 0.00 C ATOM 13 OG SER A 2 7.052 21.411 -1.633 1.00 0.00 O ATOM 0 H SER A 2 6.174 21.217 2.615 1.00 0.00 H new ATOM 0 HA SER A 2 5.750 22.096 0.619 1.00 0.00 H new ATOM 0 HB2 SER A 2 8.093 21.442 0.142 1.00 0.00 H new ATOM 0 HB3 SER A 2 7.563 19.857 -0.384 1.00 0.00 H new ATOM 0 HG SER A 2 6.193 21.084 -1.972 1.00 0.00 H new ATOM 19 N SER A 3 3.795 20.061 0.643 1.00 0.00 N ATOM 20 CA SER A 3 2.619 19.365 0.133 1.00 0.00 C ATOM 21 C SER A 3 1.751 20.303 -0.700 1.00 0.00 C ATOM 22 O SER A 3 1.301 19.948 -1.789 1.00 0.00 O ATOM 23 CB SER A 3 1.801 18.788 1.290 1.00 0.00 C ATOM 24 OG SER A 3 1.238 19.820 2.081 1.00 0.00 O ATOM 0 H SER A 3 3.733 20.331 1.625 1.00 0.00 H new ATOM 0 HA SER A 3 2.958 18.549 -0.506 1.00 0.00 H new ATOM 0 HB2 SER A 3 1.007 18.153 0.897 1.00 0.00 H new ATOM 0 HB3 SER A 3 2.437 18.156 1.910 1.00 0.00 H new ATOM 0 HG SER A 3 0.719 19.425 2.812 1.00 0.00 H new ATOM 30 N GLY A 4 1.521 21.505 -0.180 1.00 0.00 N ATOM 31 CA GLY A 4 0.708 22.476 -0.888 1.00 0.00 C ATOM 32 C GLY A 4 -0.776 22.267 -0.660 1.00 0.00 C ATOM 33 O GLY A 4 -1.466 23.156 -0.161 1.00 0.00 O ATOM 0 H GLY A 4 1.883 21.823 0.719 1.00 0.00 H new ATOM 0 HA2 GLY A 4 0.984 23.480 -0.566 1.00 0.00 H new ATOM 0 HA3 GLY A 4 0.921 22.414 -1.955 1.00 0.00 H new ATOM 37 N SER A 5 -1.269 21.089 -1.027 1.00 0.00 N ATOM 38 CA SER A 5 -2.682 20.767 -0.865 1.00 0.00 C ATOM 39 C SER A 5 -3.032 20.584 0.608 1.00 0.00 C ATOM 40 O SER A 5 -2.253 20.021 1.377 1.00 0.00 O ATOM 41 CB SER A 5 -3.031 19.498 -1.645 1.00 0.00 C ATOM 42 OG SER A 5 -4.404 19.477 -1.997 1.00 0.00 O ATOM 0 H SER A 5 -0.711 20.341 -1.439 1.00 0.00 H new ATOM 0 HA SER A 5 -3.266 21.599 -1.259 1.00 0.00 H new ATOM 0 HB2 SER A 5 -2.420 19.442 -2.546 1.00 0.00 H new ATOM 0 HB3 SER A 5 -2.793 18.621 -1.044 1.00 0.00 H new ATOM 0 HG SER A 5 -4.601 18.657 -2.496 1.00 0.00 H new ATOM 48 N SER A 6 -4.210 21.065 0.995 1.00 0.00 N ATOM 49 CA SER A 6 -4.663 20.958 2.377 1.00 0.00 C ATOM 50 C SER A 6 -5.733 19.880 2.516 1.00 0.00 C ATOM 51 O SER A 6 -6.778 20.102 3.127 1.00 0.00 O ATOM 52 CB SER A 6 -5.210 22.302 2.861 1.00 0.00 C ATOM 53 OG SER A 6 -4.223 23.315 2.776 1.00 0.00 O ATOM 0 H SER A 6 -4.867 21.532 0.371 1.00 0.00 H new ATOM 0 HA SER A 6 -3.809 20.678 2.993 1.00 0.00 H new ATOM 0 HB2 SER A 6 -6.076 22.583 2.262 1.00 0.00 H new ATOM 0 HB3 SER A 6 -5.552 22.209 3.892 1.00 0.00 H new ATOM 0 HG SER A 6 -4.598 24.164 3.089 1.00 0.00 H new ATOM 59 N GLY A 7 -5.465 18.711 1.943 1.00 0.00 N ATOM 60 CA GLY A 7 -6.414 17.615 2.014 1.00 0.00 C ATOM 61 C GLY A 7 -5.953 16.508 2.942 1.00 0.00 C ATOM 62 O GLY A 7 -5.065 16.712 3.769 1.00 0.00 O ATOM 0 H GLY A 7 -4.608 18.503 1.431 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -7.377 17.994 2.356 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -6.568 17.207 1.015 1.00 0.00 H new ATOM 66 N ILE A 8 -6.559 15.333 2.805 1.00 0.00 N ATOM 67 CA ILE A 8 -6.206 14.191 3.638 1.00 0.00 C ATOM 68 C ILE A 8 -4.987 13.461 3.083 1.00 0.00 C ATOM 69 O ILE A 8 -4.808 13.367 1.869 1.00 0.00 O ATOM 70 CB ILE A 8 -7.376 13.196 3.755 1.00 0.00 C ATOM 71 CG1 ILE A 8 -8.685 13.943 4.020 1.00 0.00 C ATOM 72 CG2 ILE A 8 -7.104 12.186 4.859 1.00 0.00 C ATOM 73 CD1 ILE A 8 -9.908 13.054 3.977 1.00 0.00 C ATOM 0 H ILE A 8 -7.296 15.148 2.125 1.00 0.00 H new ATOM 0 HA ILE A 8 -5.973 14.583 4.628 1.00 0.00 H new ATOM 0 HB ILE A 8 -7.471 12.658 2.812 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -8.629 14.423 4.997 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -8.797 14.737 3.281 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -7.940 11.490 4.929 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -6.191 11.635 4.632 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -6.986 12.708 5.809 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -10.799 13.651 4.174 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -9.989 12.594 2.992 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -9.819 12.275 4.734 1.00 0.00 H new ATOM 85 N GLU A 9 -4.153 12.946 3.981 1.00 0.00 N ATOM 86 CA GLU A 9 -2.951 12.224 3.580 1.00 0.00 C ATOM 87 C GLU A 9 -3.101 10.729 3.845 1.00 0.00 C ATOM 88 O GLU A 9 -3.966 10.307 4.613 1.00 0.00 O ATOM 89 CB GLU A 9 -1.731 12.766 4.326 1.00 0.00 C ATOM 90 CG GLU A 9 -1.199 14.071 3.757 1.00 0.00 C ATOM 91 CD GLU A 9 -0.060 14.644 4.578 1.00 0.00 C ATOM 92 OE1 GLU A 9 1.093 14.206 4.382 1.00 0.00 O ATOM 93 OE2 GLU A 9 -0.322 15.531 5.417 1.00 0.00 O ATOM 0 H GLU A 9 -4.287 13.015 4.990 1.00 0.00 H new ATOM 0 HA GLU A 9 -2.808 12.373 2.510 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -1.993 12.916 5.373 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -0.938 12.018 4.300 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -0.858 13.905 2.735 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -2.009 14.799 3.708 1.00 0.00 H new ATOM 100 N CYS A 10 -2.252 9.932 3.204 1.00 0.00 N ATOM 101 CA CYS A 10 -2.289 8.484 3.369 1.00 0.00 C ATOM 102 C CYS A 10 -1.663 8.072 4.698 1.00 0.00 C ATOM 103 O CYS A 10 -0.527 8.437 5.002 1.00 0.00 O ATOM 104 CB CYS A 10 -1.556 7.800 2.213 1.00 0.00 C ATOM 105 SG CYS A 10 -1.619 5.980 2.266 1.00 0.00 S ATOM 0 H CYS A 10 -1.530 10.265 2.565 1.00 0.00 H new ATOM 0 HA CYS A 10 -3.332 8.169 3.366 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -1.987 8.141 1.271 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -0.513 8.117 2.220 1.00 0.00 H new ATOM 110 N VAL A 11 -2.412 7.308 5.487 1.00 0.00 N ATOM 111 CA VAL A 11 -1.932 6.844 6.783 1.00 0.00 C ATOM 112 C VAL A 11 -0.942 5.695 6.623 1.00 0.00 C ATOM 113 O VAL A 11 -0.551 5.058 7.601 1.00 0.00 O ATOM 114 CB VAL A 11 -3.095 6.383 7.681 1.00 0.00 C ATOM 115 CG1 VAL A 11 -3.907 7.578 8.157 1.00 0.00 C ATOM 116 CG2 VAL A 11 -3.977 5.389 6.941 1.00 0.00 C ATOM 0 H VAL A 11 -3.354 6.997 5.251 1.00 0.00 H new ATOM 0 HA VAL A 11 -1.431 7.689 7.256 1.00 0.00 H new ATOM 0 HB VAL A 11 -2.680 5.884 8.557 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -4.725 7.233 8.790 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -3.265 8.250 8.727 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -4.314 8.108 7.296 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -4.794 5.074 7.590 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -4.385 5.860 6.047 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -3.385 4.520 6.655 1.00 0.00 H new ATOM 126 N VAL A 12 -0.540 5.436 5.383 1.00 0.00 N ATOM 127 CA VAL A 12 0.406 4.365 5.094 1.00 0.00 C ATOM 128 C VAL A 12 1.716 4.921 4.547 1.00 0.00 C ATOM 129 O VAL A 12 2.792 4.637 5.074 1.00 0.00 O ATOM 130 CB VAL A 12 -0.175 3.361 4.081 1.00 0.00 C ATOM 131 CG1 VAL A 12 0.836 2.267 3.773 1.00 0.00 C ATOM 132 CG2 VAL A 12 -1.473 2.767 4.605 1.00 0.00 C ATOM 0 H VAL A 12 -0.855 5.953 4.562 1.00 0.00 H new ATOM 0 HA VAL A 12 0.598 3.850 6.035 1.00 0.00 H new ATOM 0 HB VAL A 12 -0.393 3.892 3.154 1.00 0.00 H new ATOM 0 HG11 VAL A 12 0.408 1.567 3.056 1.00 0.00 H new ATOM 0 HG12 VAL A 12 1.737 2.713 3.352 1.00 0.00 H new ATOM 0 HG13 VAL A 12 1.089 1.736 4.691 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -1.870 2.060 3.877 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -1.283 2.251 5.546 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -2.198 3.564 4.769 1.00 0.00 H new ATOM 142 N CYS A 13 1.618 5.716 3.487 1.00 0.00 N ATOM 143 CA CYS A 13 2.795 6.313 2.867 1.00 0.00 C ATOM 144 C CYS A 13 2.790 7.829 3.040 1.00 0.00 C ATOM 145 O CYS A 13 3.815 8.488 2.867 1.00 0.00 O ATOM 146 CB CYS A 13 2.849 5.959 1.379 1.00 0.00 C ATOM 147 SG CYS A 13 1.404 6.527 0.426 1.00 0.00 S ATOM 0 H CYS A 13 0.735 5.962 3.039 1.00 0.00 H new ATOM 0 HA CYS A 13 3.679 5.911 3.362 1.00 0.00 H new ATOM 0 HB2 CYS A 13 3.750 6.393 0.946 1.00 0.00 H new ATOM 0 HB3 CYS A 13 2.936 4.877 1.277 1.00 0.00 H new ATOM 152 N GLY A 14 1.628 8.377 3.382 1.00 0.00 N ATOM 153 CA GLY A 14 1.511 9.811 3.572 1.00 0.00 C ATOM 154 C GLY A 14 0.979 10.518 2.342 1.00 0.00 C ATOM 155 O GLY A 14 0.629 11.697 2.397 1.00 0.00 O ATOM 0 H GLY A 14 0.765 7.853 3.531 1.00 0.00 H new ATOM 0 HA2 GLY A 14 0.850 10.010 4.416 1.00 0.00 H new ATOM 0 HA3 GLY A 14 2.488 10.221 3.829 1.00 0.00 H new ATOM 159 N ASP A 15 0.918 9.798 1.227 1.00 0.00 N ATOM 160 CA ASP A 15 0.425 10.363 -0.023 1.00 0.00 C ATOM 161 C ASP A 15 -1.003 10.875 0.138 1.00 0.00 C ATOM 162 O ASP A 15 -1.821 10.260 0.821 1.00 0.00 O ATOM 163 CB ASP A 15 0.483 9.318 -1.138 1.00 0.00 C ATOM 164 CG ASP A 15 0.073 9.884 -2.484 1.00 0.00 C ATOM 165 OD1 ASP A 15 0.565 10.973 -2.845 1.00 0.00 O ATOM 166 OD2 ASP A 15 -0.740 9.237 -3.176 1.00 0.00 O ATOM 0 H ASP A 15 1.204 8.821 1.164 1.00 0.00 H new ATOM 0 HA ASP A 15 1.065 11.204 -0.290 1.00 0.00 H new ATOM 0 HB2 ASP A 15 1.496 8.921 -1.207 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -0.170 8.483 -0.884 1.00 0.00 H new ATOM 171 N LYS A 16 -1.295 12.006 -0.496 1.00 0.00 N ATOM 172 CA LYS A 16 -2.624 12.602 -0.424 1.00 0.00 C ATOM 173 C LYS A 16 -3.706 11.542 -0.605 1.00 0.00 C ATOM 174 O LYS A 16 -3.966 11.091 -1.721 1.00 0.00 O ATOM 175 CB LYS A 16 -2.776 13.689 -1.491 1.00 0.00 C ATOM 176 CG LYS A 16 -3.876 14.691 -1.186 1.00 0.00 C ATOM 177 CD LYS A 16 -5.254 14.098 -1.431 1.00 0.00 C ATOM 178 CE LYS A 16 -6.290 15.183 -1.684 1.00 0.00 C ATOM 179 NZ LYS A 16 -7.551 14.625 -2.247 1.00 0.00 N ATOM 0 H LYS A 16 -0.629 12.528 -1.065 1.00 0.00 H new ATOM 0 HA LYS A 16 -2.741 13.051 0.562 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -1.830 14.221 -1.593 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -2.982 13.217 -2.452 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -3.797 15.014 -0.148 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -3.745 15.577 -1.807 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -5.215 13.424 -2.287 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -5.553 13.501 -0.569 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -6.507 15.702 -0.751 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -5.881 15.922 -2.372 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -8.231 15.396 -2.405 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -7.348 14.151 -3.150 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -7.955 13.938 -1.579 1.00 0.00 H new ATOM 193 N SER A 17 -4.335 11.151 0.498 1.00 0.00 N ATOM 194 CA SER A 17 -5.387 10.142 0.461 1.00 0.00 C ATOM 195 C SER A 17 -6.510 10.563 -0.482 1.00 0.00 C ATOM 196 O SER A 17 -6.843 11.744 -0.581 1.00 0.00 O ATOM 197 CB SER A 17 -5.947 9.907 1.866 1.00 0.00 C ATOM 198 OG SER A 17 -7.141 9.145 1.818 1.00 0.00 O ATOM 0 H SER A 17 -4.135 11.517 1.429 1.00 0.00 H new ATOM 0 HA SER A 17 -4.953 9.213 0.090 1.00 0.00 H new ATOM 0 HB2 SER A 17 -5.206 9.389 2.475 1.00 0.00 H new ATOM 0 HB3 SER A 17 -6.142 10.865 2.348 1.00 0.00 H new ATOM 0 HG SER A 17 -7.834 9.590 2.349 1.00 0.00 H new ATOM 204 N SER A 18 -7.091 9.588 -1.173 1.00 0.00 N ATOM 205 CA SER A 18 -8.174 9.856 -2.112 1.00 0.00 C ATOM 206 C SER A 18 -9.532 9.624 -1.456 1.00 0.00 C ATOM 207 O SER A 18 -10.527 9.374 -2.134 1.00 0.00 O ATOM 208 CB SER A 18 -8.035 8.970 -3.351 1.00 0.00 C ATOM 209 OG SER A 18 -8.279 7.610 -3.035 1.00 0.00 O ATOM 0 H SER A 18 -6.830 8.605 -1.100 1.00 0.00 H new ATOM 0 HA SER A 18 -8.110 10.902 -2.413 1.00 0.00 H new ATOM 0 HB2 SER A 18 -8.735 9.300 -4.118 1.00 0.00 H new ATOM 0 HB3 SER A 18 -7.033 9.076 -3.767 1.00 0.00 H new ATOM 0 HG SER A 18 -7.441 7.106 -3.091 1.00 0.00 H new ATOM 215 N GLY A 19 -9.563 9.708 -0.129 1.00 0.00 N ATOM 216 CA GLY A 19 -10.802 9.504 0.598 1.00 0.00 C ATOM 217 C GLY A 19 -10.742 8.303 1.521 1.00 0.00 C ATOM 218 O GLY A 19 -9.879 7.438 1.372 1.00 0.00 O ATOM 0 H GLY A 19 -8.752 9.914 0.455 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -11.028 10.396 1.182 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -11.619 9.372 -0.112 1.00 0.00 H new ATOM 222 N LYS A 20 -11.661 8.250 2.480 1.00 0.00 N ATOM 223 CA LYS A 20 -11.709 7.147 3.432 1.00 0.00 C ATOM 224 C LYS A 20 -12.003 5.828 2.723 1.00 0.00 C ATOM 225 O LYS A 20 -13.097 5.625 2.197 1.00 0.00 O ATOM 226 CB LYS A 20 -12.775 7.413 4.498 1.00 0.00 C ATOM 227 CG LYS A 20 -12.865 6.324 5.553 1.00 0.00 C ATOM 228 CD LYS A 20 -11.884 6.566 6.688 1.00 0.00 C ATOM 229 CE LYS A 20 -12.472 7.485 7.748 1.00 0.00 C ATOM 230 NZ LYS A 20 -11.514 7.735 8.859 1.00 0.00 N ATOM 0 H LYS A 20 -12.382 8.958 2.618 1.00 0.00 H new ATOM 0 HA LYS A 20 -10.733 7.072 3.912 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -12.559 8.363 4.986 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -13.745 7.517 4.012 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -13.879 6.283 5.950 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -12.662 5.355 5.096 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -11.610 5.614 7.142 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -10.969 7.005 6.291 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -12.753 8.434 7.291 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -13.384 7.041 8.148 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -12.037 8.032 9.708 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -10.986 6.863 9.065 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -10.849 8.485 8.582 1.00 0.00 H new ATOM 244 N HIS A 21 -11.019 4.935 2.715 1.00 0.00 N ATOM 245 CA HIS A 21 -11.172 3.634 2.073 1.00 0.00 C ATOM 246 C HIS A 21 -10.963 2.504 3.076 1.00 0.00 C ATOM 247 O HIS A 21 -9.922 2.426 3.729 1.00 0.00 O ATOM 248 CB HIS A 21 -10.184 3.494 0.915 1.00 0.00 C ATOM 249 CG HIS A 21 -10.353 4.537 -0.147 1.00 0.00 C ATOM 250 ND1 HIS A 21 -11.577 4.870 -0.687 1.00 0.00 N ATOM 251 CD2 HIS A 21 -9.443 5.324 -0.767 1.00 0.00 C ATOM 252 CE1 HIS A 21 -11.413 5.815 -1.595 1.00 0.00 C ATOM 253 NE2 HIS A 21 -10.127 6.109 -1.662 1.00 0.00 N ATOM 0 H HIS A 21 -10.107 5.088 3.146 1.00 0.00 H new ATOM 0 HA HIS A 21 -12.188 3.566 1.684 1.00 0.00 H new ATOM 0 HB2 HIS A 21 -9.168 3.547 1.307 1.00 0.00 H new ATOM 0 HB3 HIS A 21 -10.301 2.508 0.466 1.00 0.00 H new ATOM 0 HD2 HIS A 21 -8.378 5.333 -0.591 1.00 0.00 H new ATOM 0 HE1 HIS A 21 -12.197 6.270 -2.183 1.00 0.00 H new ATOM 0 HE2 HIS A 21 -9.710 6.806 -2.279 1.00 0.00 H new ATOM 261 N TYR A 22 -11.957 1.632 3.194 1.00 0.00 N ATOM 262 CA TYR A 22 -11.883 0.508 4.120 1.00 0.00 C ATOM 263 C TYR A 22 -11.847 0.995 5.565 1.00 0.00 C ATOM 264 O TYR A 22 -11.118 0.456 6.396 1.00 0.00 O ATOM 265 CB TYR A 22 -10.646 -0.342 3.825 1.00 0.00 C ATOM 266 CG TYR A 22 -10.613 -0.896 2.419 1.00 0.00 C ATOM 267 CD1 TYR A 22 -11.645 -1.693 1.941 1.00 0.00 C ATOM 268 CD2 TYR A 22 -9.549 -0.622 1.568 1.00 0.00 C ATOM 269 CE1 TYR A 22 -11.619 -2.203 0.657 1.00 0.00 C ATOM 270 CE2 TYR A 22 -9.514 -1.126 0.282 1.00 0.00 C ATOM 271 CZ TYR A 22 -10.551 -1.916 -0.168 1.00 0.00 C ATOM 272 OH TYR A 22 -10.522 -2.421 -1.448 1.00 0.00 O ATOM 0 H TYR A 22 -12.824 1.681 2.660 1.00 0.00 H new ATOM 0 HA TYR A 22 -12.776 -0.102 3.984 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -9.753 0.261 3.990 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -10.607 -1.169 4.533 1.00 0.00 H new ATOM 0 HD1 TYR A 22 -12.483 -1.918 2.584 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -8.735 -0.004 1.918 1.00 0.00 H new ATOM 0 HE1 TYR A 22 -12.429 -2.822 0.302 1.00 0.00 H new ATOM 0 HE2 TYR A 22 -8.680 -0.903 -0.367 1.00 0.00 H new ATOM 0 HH TYR A 22 -9.703 -2.125 -1.898 1.00 0.00 H new ATOM 282 N GLY A 23 -12.643 2.019 5.858 1.00 0.00 N ATOM 283 CA GLY A 23 -12.689 2.563 7.203 1.00 0.00 C ATOM 284 C GLY A 23 -11.411 3.286 7.579 1.00 0.00 C ATOM 285 O GLY A 23 -11.169 3.559 8.755 1.00 0.00 O ATOM 0 H GLY A 23 -13.257 2.482 5.188 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -13.530 3.252 7.285 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -12.868 1.755 7.913 1.00 0.00 H new ATOM 289 N GLN A 24 -10.592 3.596 6.580 1.00 0.00 N ATOM 290 CA GLN A 24 -9.331 4.291 6.814 1.00 0.00 C ATOM 291 C GLN A 24 -8.925 5.108 5.592 1.00 0.00 C ATOM 292 O GLN A 24 -9.040 4.645 4.457 1.00 0.00 O ATOM 293 CB GLN A 24 -8.229 3.288 7.161 1.00 0.00 C ATOM 294 CG GLN A 24 -7.173 3.846 8.101 1.00 0.00 C ATOM 295 CD GLN A 24 -7.769 4.437 9.363 1.00 0.00 C ATOM 296 OE1 GLN A 24 -8.457 3.607 10.138 1.00 0.00 O flip ATOM 297 NE2 GLN A 24 -7.612 5.626 9.640 1.00 0.00 N flip ATOM 0 H GLN A 24 -10.778 3.377 5.601 1.00 0.00 H new ATOM 0 HA GLN A 24 -9.470 4.972 7.653 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -8.681 2.408 7.617 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -7.747 2.958 6.241 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -6.476 3.053 8.370 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -6.598 4.613 7.582 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -7.076 6.229 9.016 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -8.018 6.009 10.494 1.00 0.00 H new ATOM 306 N PHE A 25 -8.449 6.325 5.832 1.00 0.00 N ATOM 307 CA PHE A 25 -8.027 7.208 4.751 1.00 0.00 C ATOM 308 C PHE A 25 -6.692 6.754 4.168 1.00 0.00 C ATOM 309 O PHE A 25 -5.666 6.766 4.849 1.00 0.00 O ATOM 310 CB PHE A 25 -7.913 8.648 5.255 1.00 0.00 C ATOM 311 CG PHE A 25 -9.240 9.329 5.429 1.00 0.00 C ATOM 312 CD1 PHE A 25 -10.011 9.667 4.329 1.00 0.00 C ATOM 313 CD2 PHE A 25 -9.716 9.632 6.695 1.00 0.00 C ATOM 314 CE1 PHE A 25 -11.233 10.293 4.486 1.00 0.00 C ATOM 315 CE2 PHE A 25 -10.938 10.258 6.858 1.00 0.00 C ATOM 316 CZ PHE A 25 -11.696 10.590 5.753 1.00 0.00 C ATOM 0 H PHE A 25 -8.346 6.722 6.766 1.00 0.00 H new ATOM 0 HA PHE A 25 -8.781 7.164 3.965 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -7.385 8.650 6.208 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -7.308 9.223 4.554 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -9.653 9.438 3.336 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -9.126 9.377 7.563 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -11.825 10.549 3.620 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -11.299 10.487 7.850 1.00 0.00 H new ATOM 0 HZ PHE A 25 -12.650 11.081 5.879 1.00 0.00 H new ATOM 326 N THR A 26 -6.712 6.352 2.900 1.00 0.00 N ATOM 327 CA THR A 26 -5.506 5.892 2.225 1.00 0.00 C ATOM 328 C THR A 26 -5.513 6.291 0.754 1.00 0.00 C ATOM 329 O THR A 26 -6.568 6.352 0.122 1.00 0.00 O ATOM 330 CB THR A 26 -5.352 4.363 2.329 1.00 0.00 C ATOM 331 OG1 THR A 26 -6.599 3.724 2.034 1.00 0.00 O ATOM 332 CG2 THR A 26 -4.886 3.959 3.720 1.00 0.00 C ATOM 0 H THR A 26 -7.551 6.336 2.321 1.00 0.00 H new ATOM 0 HA THR A 26 -4.663 6.370 2.725 1.00 0.00 H new ATOM 0 HB THR A 26 -4.601 4.046 1.605 1.00 0.00 H new ATOM 0 HG1 THR A 26 -6.785 3.041 2.712 1.00 0.00 H new ATOM 0 HG21 THR A 26 -4.785 2.875 3.769 1.00 0.00 H new ATOM 0 HG22 THR A 26 -3.923 4.424 3.930 1.00 0.00 H new ATOM 0 HG23 THR A 26 -5.617 4.289 4.459 1.00 0.00 H new ATOM 340 N CYS A 27 -4.329 6.562 0.213 1.00 0.00 N ATOM 341 CA CYS A 27 -4.199 6.956 -1.184 1.00 0.00 C ATOM 342 C CYS A 27 -4.617 5.818 -2.111 1.00 0.00 C ATOM 343 O CYS A 27 -4.792 4.681 -1.674 1.00 0.00 O ATOM 344 CB CYS A 27 -2.757 7.370 -1.487 1.00 0.00 C ATOM 345 SG CYS A 27 -1.566 5.991 -1.461 1.00 0.00 S ATOM 0 H CYS A 27 -3.446 6.516 0.722 1.00 0.00 H new ATOM 0 HA CYS A 27 -4.859 7.806 -1.359 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -2.725 7.845 -2.468 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -2.445 8.119 -0.759 1.00 0.00 H new ATOM 350 N GLU A 28 -4.776 6.134 -3.393 1.00 0.00 N ATOM 351 CA GLU A 28 -5.175 5.139 -4.381 1.00 0.00 C ATOM 352 C GLU A 28 -4.092 4.077 -4.551 1.00 0.00 C ATOM 353 O GLU A 28 -4.372 2.948 -4.951 1.00 0.00 O ATOM 354 CB GLU A 28 -5.463 5.809 -5.725 1.00 0.00 C ATOM 355 CG GLU A 28 -6.607 6.808 -5.675 1.00 0.00 C ATOM 356 CD GLU A 28 -7.068 7.237 -7.054 1.00 0.00 C ATOM 357 OE1 GLU A 28 -6.211 7.358 -7.955 1.00 0.00 O ATOM 358 OE2 GLU A 28 -8.285 7.453 -7.233 1.00 0.00 O ATOM 0 H GLU A 28 -4.635 7.071 -3.771 1.00 0.00 H new ATOM 0 HA GLU A 28 -6.083 4.654 -4.024 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -4.562 6.318 -6.068 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -5.695 5.040 -6.462 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -7.446 6.367 -5.136 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -6.293 7.687 -5.112 1.00 0.00 H new ATOM 365 N GLY A 29 -2.853 4.449 -4.245 1.00 0.00 N ATOM 366 CA GLY A 29 -1.746 3.519 -4.371 1.00 0.00 C ATOM 367 C GLY A 29 -1.804 2.406 -3.344 1.00 0.00 C ATOM 368 O GLY A 29 -1.515 1.250 -3.653 1.00 0.00 O ATOM 0 H GLY A 29 -2.596 5.378 -3.912 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -1.751 3.087 -5.372 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -0.806 4.061 -4.263 1.00 0.00 H new ATOM 372 N CYS A 30 -2.177 2.755 -2.117 1.00 0.00 N ATOM 373 CA CYS A 30 -2.269 1.778 -1.039 1.00 0.00 C ATOM 374 C CYS A 30 -3.656 1.142 -0.999 1.00 0.00 C ATOM 375 O CYS A 30 -3.816 0.000 -0.567 1.00 0.00 O ATOM 376 CB CYS A 30 -1.961 2.440 0.306 1.00 0.00 C ATOM 377 SG CYS A 30 -0.317 3.221 0.391 1.00 0.00 S ATOM 0 H CYS A 30 -2.420 3.707 -1.845 1.00 0.00 H new ATOM 0 HA CYS A 30 -1.534 0.995 -1.228 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -2.721 3.194 0.510 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -2.037 1.690 1.094 1.00 0.00 H new ATOM 382 N LYS A 31 -4.657 1.889 -1.453 1.00 0.00 N ATOM 383 CA LYS A 31 -6.030 1.400 -1.472 1.00 0.00 C ATOM 384 C LYS A 31 -6.138 0.112 -2.281 1.00 0.00 C ATOM 385 O LYS A 31 -6.812 -0.834 -1.873 1.00 0.00 O ATOM 386 CB LYS A 31 -6.964 2.462 -2.057 1.00 0.00 C ATOM 387 CG LYS A 31 -8.302 1.909 -2.517 1.00 0.00 C ATOM 388 CD LYS A 31 -8.273 1.532 -3.988 1.00 0.00 C ATOM 389 CE LYS A 31 -8.222 2.764 -4.879 1.00 0.00 C ATOM 390 NZ LYS A 31 -9.585 3.241 -5.243 1.00 0.00 N ATOM 0 H LYS A 31 -4.542 2.836 -1.813 1.00 0.00 H new ATOM 0 HA LYS A 31 -6.328 1.189 -0.445 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -7.138 3.234 -1.307 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -6.470 2.943 -2.901 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -8.559 1.033 -1.921 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -9.082 2.651 -2.346 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -7.406 0.902 -4.186 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -9.157 0.942 -4.231 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -7.683 3.561 -4.367 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -7.663 2.533 -5.786 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -9.508 4.082 -5.850 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -10.091 2.490 -5.754 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -10.110 3.485 -4.379 1.00 0.00 H new ATOM 404 N SER A 32 -5.468 0.081 -3.428 1.00 0.00 N ATOM 405 CA SER A 32 -5.490 -1.091 -4.296 1.00 0.00 C ATOM 406 C SER A 32 -4.452 -2.116 -3.850 1.00 0.00 C ATOM 407 O SER A 32 -4.690 -3.323 -3.909 1.00 0.00 O ATOM 408 CB SER A 32 -5.230 -0.682 -5.747 1.00 0.00 C ATOM 409 OG SER A 32 -5.439 -1.772 -6.629 1.00 0.00 O ATOM 0 H SER A 32 -4.903 0.854 -3.778 1.00 0.00 H new ATOM 0 HA SER A 32 -6.478 -1.546 -4.226 1.00 0.00 H new ATOM 0 HB2 SER A 32 -5.889 0.142 -6.020 1.00 0.00 H new ATOM 0 HB3 SER A 32 -4.207 -0.319 -5.848 1.00 0.00 H new ATOM 0 HG SER A 32 -5.268 -1.485 -7.550 1.00 0.00 H new ATOM 415 N PHE A 33 -3.300 -1.627 -3.404 1.00 0.00 N ATOM 416 CA PHE A 33 -2.224 -2.500 -2.950 1.00 0.00 C ATOM 417 C PHE A 33 -2.661 -3.314 -1.735 1.00 0.00 C ATOM 418 O PHE A 33 -2.257 -4.465 -1.568 1.00 0.00 O ATOM 419 CB PHE A 33 -0.981 -1.676 -2.605 1.00 0.00 C ATOM 420 CG PHE A 33 0.117 -2.483 -1.974 1.00 0.00 C ATOM 421 CD1 PHE A 33 1.062 -3.125 -2.758 1.00 0.00 C ATOM 422 CD2 PHE A 33 0.205 -2.599 -0.596 1.00 0.00 C ATOM 423 CE1 PHE A 33 2.073 -3.869 -2.179 1.00 0.00 C ATOM 424 CE2 PHE A 33 1.214 -3.341 -0.012 1.00 0.00 C ATOM 425 CZ PHE A 33 2.150 -3.976 -0.805 1.00 0.00 C ATOM 0 H PHE A 33 -3.087 -0.631 -3.347 1.00 0.00 H new ATOM 0 HA PHE A 33 -1.982 -3.188 -3.760 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -0.601 -1.208 -3.513 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -1.265 -0.871 -1.927 1.00 0.00 H new ATOM 0 HD1 PHE A 33 1.008 -3.043 -3.834 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -0.523 -2.104 0.029 1.00 0.00 H new ATOM 0 HE1 PHE A 33 2.802 -4.366 -2.801 1.00 0.00 H new ATOM 0 HE2 PHE A 33 1.271 -3.424 1.063 1.00 0.00 H new ATOM 0 HZ PHE A 33 2.940 -4.555 -0.351 1.00 0.00 H new ATOM 435 N PHE A 34 -3.488 -2.708 -0.890 1.00 0.00 N ATOM 436 CA PHE A 34 -3.979 -3.375 0.310 1.00 0.00 C ATOM 437 C PHE A 34 -4.941 -4.503 -0.050 1.00 0.00 C ATOM 438 O PHE A 34 -4.866 -5.600 0.505 1.00 0.00 O ATOM 439 CB PHE A 34 -4.676 -2.370 1.229 1.00 0.00 C ATOM 440 CG PHE A 34 -5.370 -3.007 2.398 1.00 0.00 C ATOM 441 CD1 PHE A 34 -4.641 -3.626 3.400 1.00 0.00 C ATOM 442 CD2 PHE A 34 -6.752 -2.988 2.494 1.00 0.00 C ATOM 443 CE1 PHE A 34 -5.277 -4.214 4.478 1.00 0.00 C ATOM 444 CE2 PHE A 34 -7.394 -3.573 3.570 1.00 0.00 C ATOM 445 CZ PHE A 34 -6.655 -4.188 4.562 1.00 0.00 C ATOM 0 H PHE A 34 -3.832 -1.756 -1.014 1.00 0.00 H new ATOM 0 HA PHE A 34 -3.124 -3.803 0.833 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -3.939 -1.657 1.599 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -5.405 -1.804 0.649 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -3.563 -3.650 3.339 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -7.334 -2.511 1.720 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -4.697 -4.693 5.253 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -8.472 -3.549 3.635 1.00 0.00 H new ATOM 0 HZ PHE A 34 -7.154 -4.648 5.402 1.00 0.00 H new ATOM 455 N LYS A 35 -5.846 -4.226 -0.983 1.00 0.00 N ATOM 456 CA LYS A 35 -6.824 -5.216 -1.420 1.00 0.00 C ATOM 457 C LYS A 35 -6.148 -6.343 -2.194 1.00 0.00 C ATOM 458 O LYS A 35 -6.154 -7.496 -1.763 1.00 0.00 O ATOM 459 CB LYS A 35 -7.895 -4.555 -2.290 1.00 0.00 C ATOM 460 CG LYS A 35 -8.601 -5.523 -3.224 1.00 0.00 C ATOM 461 CD LYS A 35 -9.469 -4.790 -4.234 1.00 0.00 C ATOM 462 CE LYS A 35 -10.445 -5.733 -4.919 1.00 0.00 C ATOM 463 NZ LYS A 35 -11.639 -6.006 -4.071 1.00 0.00 N ATOM 0 H LYS A 35 -5.923 -3.323 -1.452 1.00 0.00 H new ATOM 0 HA LYS A 35 -7.296 -5.640 -0.534 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -8.634 -4.081 -1.644 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -7.434 -3.764 -2.881 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -7.862 -6.128 -3.749 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -9.218 -6.208 -2.642 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -10.021 -3.995 -3.732 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -8.835 -4.314 -4.982 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -10.764 -5.300 -5.867 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -9.942 -6.672 -5.151 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -12.281 -6.653 -4.573 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -11.337 -6.443 -3.177 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -12.134 -5.114 -3.871 1.00 0.00 H new ATOM 477 N ARG A 36 -5.566 -6.002 -3.339 1.00 0.00 N ATOM 478 CA ARG A 36 -4.886 -6.985 -4.174 1.00 0.00 C ATOM 479 C ARG A 36 -4.202 -8.046 -3.316 1.00 0.00 C ATOM 480 O ARG A 36 -4.068 -9.199 -3.726 1.00 0.00 O ATOM 481 CB ARG A 36 -3.855 -6.298 -5.072 1.00 0.00 C ATOM 482 CG ARG A 36 -2.649 -5.764 -4.317 1.00 0.00 C ATOM 483 CD ARG A 36 -1.539 -5.343 -5.267 1.00 0.00 C ATOM 484 NE ARG A 36 -2.040 -4.514 -6.360 1.00 0.00 N ATOM 485 CZ ARG A 36 -1.286 -3.649 -7.031 1.00 0.00 C ATOM 486 NH1 ARG A 36 -0.006 -3.501 -6.722 1.00 0.00 N ATOM 487 NH2 ARG A 36 -1.814 -2.930 -8.014 1.00 0.00 N ATOM 0 H ARG A 36 -5.552 -5.052 -3.710 1.00 0.00 H new ATOM 0 HA ARG A 36 -5.634 -7.473 -4.799 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -3.515 -7.006 -5.828 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -4.336 -5.475 -5.600 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -2.949 -4.913 -3.706 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -2.276 -6.529 -3.636 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -0.778 -4.793 -4.714 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -1.056 -6.230 -5.677 1.00 0.00 H new ATOM 0 HE ARG A 36 -3.022 -4.604 -6.623 1.00 0.00 H new ATOM 0 HH11 ARG A 36 0.403 -4.052 -5.967 1.00 0.00 H new ATOM 0 HH12 ARG A 36 0.570 -2.836 -7.239 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -2.799 -3.041 -8.255 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -1.235 -2.266 -8.528 1.00 0.00 H new ATOM 501 N SER A 37 -3.771 -7.648 -2.123 1.00 0.00 N ATOM 502 CA SER A 37 -3.097 -8.563 -1.209 1.00 0.00 C ATOM 503 C SER A 37 -4.096 -9.212 -0.256 1.00 0.00 C ATOM 504 O SER A 37 -4.031 -10.413 0.007 1.00 0.00 O ATOM 505 CB SER A 37 -2.022 -7.821 -0.412 1.00 0.00 C ATOM 506 OG SER A 37 -2.539 -6.631 0.156 1.00 0.00 O ATOM 0 H SER A 37 -3.877 -6.698 -1.767 1.00 0.00 H new ATOM 0 HA SER A 37 -2.624 -9.347 -1.801 1.00 0.00 H new ATOM 0 HB2 SER A 37 -1.639 -8.468 0.377 1.00 0.00 H new ATOM 0 HB3 SER A 37 -1.182 -7.581 -1.064 1.00 0.00 H new ATOM 0 HG SER A 37 -2.408 -5.887 -0.468 1.00 0.00 H new ATOM 512 N VAL A 38 -5.021 -8.408 0.260 1.00 0.00 N ATOM 513 CA VAL A 38 -6.035 -8.902 1.183 1.00 0.00 C ATOM 514 C VAL A 38 -7.025 -9.818 0.473 1.00 0.00 C ATOM 515 O VAL A 38 -7.141 -10.999 0.803 1.00 0.00 O ATOM 516 CB VAL A 38 -6.806 -7.744 1.843 1.00 0.00 C ATOM 517 CG1 VAL A 38 -8.073 -8.257 2.509 1.00 0.00 C ATOM 518 CG2 VAL A 38 -5.922 -7.019 2.847 1.00 0.00 C ATOM 0 H VAL A 38 -5.088 -7.411 0.054 1.00 0.00 H new ATOM 0 HA VAL A 38 -5.512 -9.466 1.955 1.00 0.00 H new ATOM 0 HB VAL A 38 -7.094 -7.034 1.068 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -8.604 -7.424 2.970 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -8.712 -8.726 1.761 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -7.812 -8.988 3.274 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -6.483 -6.204 3.304 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -5.602 -7.717 3.620 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -5.047 -6.616 2.337 1.00 0.00 H new ATOM 528 N ARG A 39 -7.737 -9.266 -0.504 1.00 0.00 N ATOM 529 CA ARG A 39 -8.719 -10.034 -1.261 1.00 0.00 C ATOM 530 C ARG A 39 -8.097 -11.309 -1.823 1.00 0.00 C ATOM 531 O ARG A 39 -8.791 -12.298 -2.060 1.00 0.00 O ATOM 532 CB ARG A 39 -9.290 -9.188 -2.401 1.00 0.00 C ATOM 533 CG ARG A 39 -8.281 -8.876 -3.493 1.00 0.00 C ATOM 534 CD ARG A 39 -8.284 -9.944 -4.576 1.00 0.00 C ATOM 535 NE ARG A 39 -9.586 -10.059 -5.227 1.00 0.00 N ATOM 536 CZ ARG A 39 -9.999 -9.245 -6.192 1.00 0.00 C ATOM 537 NH1 ARG A 39 -9.217 -8.262 -6.616 1.00 0.00 N ATOM 538 NH2 ARG A 39 -11.198 -9.414 -6.736 1.00 0.00 N ATOM 0 H ARG A 39 -7.653 -8.291 -0.790 1.00 0.00 H new ATOM 0 HA ARG A 39 -9.526 -10.312 -0.583 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -10.138 -9.712 -2.841 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -9.671 -8.252 -1.992 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -8.510 -7.907 -3.936 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -7.284 -8.800 -3.058 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -7.525 -9.706 -5.322 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -8.011 -10.904 -4.139 1.00 0.00 H new ATOM 0 HE ARG A 39 -10.212 -10.805 -4.924 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -8.295 -8.129 -6.201 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -9.538 -7.639 -7.357 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -11.803 -10.169 -6.413 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -11.515 -8.789 -7.477 1.00 0.00 H new ATOM 552 N ARG A 40 -6.785 -11.278 -2.033 1.00 0.00 N ATOM 553 CA ARG A 40 -6.070 -12.430 -2.569 1.00 0.00 C ATOM 554 C ARG A 40 -5.534 -13.309 -1.442 1.00 0.00 C ATOM 555 O ARG A 40 -5.257 -14.491 -1.642 1.00 0.00 O ATOM 556 CB ARG A 40 -4.917 -11.971 -3.463 1.00 0.00 C ATOM 557 CG ARG A 40 -5.371 -11.394 -4.794 1.00 0.00 C ATOM 558 CD ARG A 40 -4.255 -11.430 -5.827 1.00 0.00 C ATOM 559 NE ARG A 40 -4.666 -10.837 -7.097 1.00 0.00 N ATOM 560 CZ ARG A 40 -3.811 -10.398 -8.014 1.00 0.00 C ATOM 561 NH1 ARG A 40 -2.505 -10.485 -7.802 1.00 0.00 N ATOM 562 NH2 ARG A 40 -4.262 -9.871 -9.145 1.00 0.00 N ATOM 0 H ARG A 40 -6.196 -10.468 -1.840 1.00 0.00 H new ATOM 0 HA ARG A 40 -6.771 -13.016 -3.163 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -4.333 -11.220 -2.931 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -4.255 -12.816 -3.650 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -6.228 -11.958 -5.163 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -5.703 -10.366 -4.652 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -3.387 -10.896 -5.441 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -3.947 -12.462 -5.992 1.00 0.00 H new ATOM 0 HE ARG A 40 -5.664 -10.756 -7.290 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -2.155 -10.890 -6.934 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -1.850 -10.147 -8.507 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -5.266 -9.803 -9.311 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -3.605 -9.534 -9.848 1.00 0.00 H new ATOM 576 N ASN A 41 -5.391 -12.722 -0.258 1.00 0.00 N ATOM 577 CA ASN A 41 -4.888 -13.452 0.901 1.00 0.00 C ATOM 578 C ASN A 41 -3.387 -13.696 0.779 1.00 0.00 C ATOM 579 O ASN A 41 -2.875 -14.720 1.234 1.00 0.00 O ATOM 580 CB ASN A 41 -5.623 -14.785 1.048 1.00 0.00 C ATOM 581 CG ASN A 41 -7.097 -14.674 0.710 1.00 0.00 C ATOM 582 OD1 ASN A 41 -7.861 -14.021 1.421 1.00 0.00 O ATOM 583 ND2 ASN A 41 -7.503 -15.313 -0.381 1.00 0.00 N ATOM 0 H ASN A 41 -5.616 -11.744 -0.076 1.00 0.00 H new ATOM 0 HA ASN A 41 -5.069 -12.846 1.789 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -5.159 -15.526 0.397 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -5.514 -15.146 2.071 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -8.483 -15.274 -0.659 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -6.834 -15.842 -0.941 1.00 0.00 H new ATOM 590 N LEU A 42 -2.687 -12.749 0.165 1.00 0.00 N ATOM 591 CA LEU A 42 -1.244 -12.861 -0.016 1.00 0.00 C ATOM 592 C LEU A 42 -0.512 -12.664 1.308 1.00 0.00 C ATOM 593 O LEU A 42 -1.121 -12.319 2.321 1.00 0.00 O ATOM 594 CB LEU A 42 -0.757 -11.832 -1.038 1.00 0.00 C ATOM 595 CG LEU A 42 -1.636 -11.648 -2.276 1.00 0.00 C ATOM 596 CD1 LEU A 42 -1.065 -10.566 -3.180 1.00 0.00 C ATOM 597 CD2 LEU A 42 -1.772 -12.961 -3.033 1.00 0.00 C ATOM 0 H LEU A 42 -3.095 -11.895 -0.216 1.00 0.00 H new ATOM 0 HA LEU A 42 -1.026 -13.863 -0.385 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -0.663 -10.868 -0.537 1.00 0.00 H new ATOM 0 HB3 LEU A 42 0.242 -12.120 -1.366 1.00 0.00 H new ATOM 0 HG LEU A 42 -2.628 -11.335 -1.951 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -1.704 -10.449 -4.056 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -1.020 -9.623 -2.635 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -0.062 -10.850 -3.498 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -2.401 -12.811 -3.911 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -0.786 -13.304 -3.347 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -2.227 -13.710 -2.384 1.00 0.00 H new ATOM 609 N THR A 43 0.799 -12.884 1.292 1.00 0.00 N ATOM 610 CA THR A 43 1.614 -12.730 2.491 1.00 0.00 C ATOM 611 C THR A 43 3.090 -12.591 2.137 1.00 0.00 C ATOM 612 O THR A 43 3.746 -13.566 1.771 1.00 0.00 O ATOM 613 CB THR A 43 1.438 -13.925 3.447 1.00 0.00 C ATOM 614 OG1 THR A 43 0.070 -14.024 3.860 1.00 0.00 O ATOM 615 CG2 THR A 43 2.332 -13.776 4.669 1.00 0.00 C ATOM 0 H THR A 43 1.319 -13.169 0.462 1.00 0.00 H new ATOM 0 HA THR A 43 1.275 -11.822 2.990 1.00 0.00 H new ATOM 0 HB THR A 43 1.724 -14.833 2.916 1.00 0.00 H new ATOM 0 HG1 THR A 43 -0.403 -13.198 3.626 1.00 0.00 H new ATOM 0 HG21 THR A 43 2.191 -14.631 5.330 1.00 0.00 H new ATOM 0 HG22 THR A 43 3.374 -13.729 4.354 1.00 0.00 H new ATOM 0 HG23 THR A 43 2.072 -12.860 5.200 1.00 0.00 H new ATOM 623 N TYR A 44 3.608 -11.373 2.250 1.00 0.00 N ATOM 624 CA TYR A 44 5.008 -11.105 1.941 1.00 0.00 C ATOM 625 C TYR A 44 5.885 -11.304 3.173 1.00 0.00 C ATOM 626 O TYR A 44 5.489 -10.978 4.292 1.00 0.00 O ATOM 627 CB TYR A 44 5.171 -9.681 1.409 1.00 0.00 C ATOM 628 CG TYR A 44 4.137 -9.298 0.374 1.00 0.00 C ATOM 629 CD1 TYR A 44 4.221 -9.774 -0.929 1.00 0.00 C ATOM 630 CD2 TYR A 44 3.077 -8.461 0.698 1.00 0.00 C ATOM 631 CE1 TYR A 44 3.279 -9.427 -1.878 1.00 0.00 C ATOM 632 CE2 TYR A 44 2.130 -8.110 -0.244 1.00 0.00 C ATOM 633 CZ TYR A 44 2.235 -8.596 -1.531 1.00 0.00 C ATOM 634 OH TYR A 44 1.294 -8.247 -2.473 1.00 0.00 O ATOM 0 H TYR A 44 3.079 -10.555 2.553 1.00 0.00 H new ATOM 0 HA TYR A 44 5.326 -11.810 1.173 1.00 0.00 H new ATOM 0 HB2 TYR A 44 5.114 -8.982 2.243 1.00 0.00 H new ATOM 0 HB3 TYR A 44 6.165 -9.577 0.973 1.00 0.00 H new ATOM 0 HD1 TYR A 44 5.037 -10.426 -1.204 1.00 0.00 H new ATOM 0 HD2 TYR A 44 2.992 -8.078 1.704 1.00 0.00 H new ATOM 0 HE1 TYR A 44 3.360 -9.805 -2.887 1.00 0.00 H new ATOM 0 HE2 TYR A 44 1.312 -7.459 0.025 1.00 0.00 H new ATOM 0 HH TYR A 44 1.202 -8.971 -3.127 1.00 0.00 H new ATOM 644 N THR A 45 7.083 -11.841 2.958 1.00 0.00 N ATOM 645 CA THR A 45 8.018 -12.084 4.049 1.00 0.00 C ATOM 646 C THR A 45 9.111 -11.022 4.083 1.00 0.00 C ATOM 647 O THR A 45 9.987 -10.990 3.219 1.00 0.00 O ATOM 648 CB THR A 45 8.672 -13.473 3.929 1.00 0.00 C ATOM 649 OG1 THR A 45 7.668 -14.493 3.976 1.00 0.00 O ATOM 650 CG2 THR A 45 9.681 -13.695 5.046 1.00 0.00 C ATOM 0 H THR A 45 7.428 -12.116 2.038 1.00 0.00 H new ATOM 0 HA THR A 45 7.443 -12.040 4.974 1.00 0.00 H new ATOM 0 HB THR A 45 9.195 -13.522 2.974 1.00 0.00 H new ATOM 0 HG1 THR A 45 8.092 -15.373 3.897 1.00 0.00 H new ATOM 0 HG21 THR A 45 10.130 -14.683 4.940 1.00 0.00 H new ATOM 0 HG22 THR A 45 10.460 -12.935 4.989 1.00 0.00 H new ATOM 0 HG23 THR A 45 9.177 -13.627 6.010 1.00 0.00 H new ATOM 658 N CYS A 46 9.053 -10.153 5.087 1.00 0.00 N ATOM 659 CA CYS A 46 10.038 -9.088 5.235 1.00 0.00 C ATOM 660 C CYS A 46 11.332 -9.625 5.842 1.00 0.00 C ATOM 661 O CYS A 46 11.475 -9.693 7.063 1.00 0.00 O ATOM 662 CB CYS A 46 9.479 -7.965 6.111 1.00 0.00 C ATOM 663 SG CYS A 46 10.708 -6.706 6.581 1.00 0.00 S ATOM 0 H CYS A 46 8.334 -10.166 5.810 1.00 0.00 H new ATOM 0 HA CYS A 46 10.259 -8.691 4.244 1.00 0.00 H new ATOM 0 HB2 CYS A 46 8.661 -7.478 5.580 1.00 0.00 H new ATOM 0 HB3 CYS A 46 9.057 -8.401 7.016 1.00 0.00 H new ATOM 668 N ARG A 47 12.270 -10.003 4.981 1.00 0.00 N ATOM 669 CA ARG A 47 13.551 -10.534 5.431 1.00 0.00 C ATOM 670 C ARG A 47 14.204 -9.595 6.442 1.00 0.00 C ATOM 671 O ARG A 47 15.128 -9.982 7.157 1.00 0.00 O ATOM 672 CB ARG A 47 14.487 -10.748 4.240 1.00 0.00 C ATOM 673 CG ARG A 47 15.608 -11.736 4.515 1.00 0.00 C ATOM 674 CD ARG A 47 16.062 -12.432 3.241 1.00 0.00 C ATOM 675 NE ARG A 47 17.341 -13.116 3.418 1.00 0.00 N ATOM 676 CZ ARG A 47 17.457 -14.334 3.935 1.00 0.00 C ATOM 677 NH1 ARG A 47 16.378 -14.998 4.324 1.00 0.00 N ATOM 678 NH2 ARG A 47 18.656 -14.889 4.063 1.00 0.00 N ATOM 0 H ARG A 47 12.167 -9.952 3.967 1.00 0.00 H new ATOM 0 HA ARG A 47 13.367 -11.493 5.916 1.00 0.00 H new ATOM 0 HB2 ARG A 47 13.904 -11.101 3.390 1.00 0.00 H new ATOM 0 HB3 ARG A 47 14.921 -9.790 3.953 1.00 0.00 H new ATOM 0 HG2 ARG A 47 16.452 -11.214 4.966 1.00 0.00 H new ATOM 0 HG3 ARG A 47 15.270 -12.480 5.237 1.00 0.00 H new ATOM 0 HD2 ARG A 47 15.305 -13.153 2.932 1.00 0.00 H new ATOM 0 HD3 ARG A 47 16.151 -11.699 2.439 1.00 0.00 H new ATOM 0 HE ARG A 47 18.191 -12.632 3.129 1.00 0.00 H new ATOM 0 HH11 ARG A 47 15.455 -14.574 4.227 1.00 0.00 H new ATOM 0 HH12 ARG A 47 16.470 -15.933 4.721 1.00 0.00 H new ATOM 0 HH21 ARG A 47 19.488 -14.380 3.764 1.00 0.00 H new ATOM 0 HH22 ARG A 47 18.745 -15.824 4.460 1.00 0.00 H new ATOM 692 N ALA A 48 13.716 -8.360 6.495 1.00 0.00 N ATOM 693 CA ALA A 48 14.251 -7.367 7.418 1.00 0.00 C ATOM 694 C ALA A 48 13.588 -7.477 8.787 1.00 0.00 C ATOM 695 O ALA A 48 12.833 -8.413 9.048 1.00 0.00 O ATOM 696 CB ALA A 48 14.067 -5.967 6.851 1.00 0.00 C ATOM 0 H ALA A 48 12.951 -8.024 5.910 1.00 0.00 H new ATOM 0 HA ALA A 48 15.317 -7.559 7.543 1.00 0.00 H new ATOM 0 HB1 ALA A 48 14.471 -5.235 7.551 1.00 0.00 H new ATOM 0 HB2 ALA A 48 14.593 -5.888 5.899 1.00 0.00 H new ATOM 0 HB3 ALA A 48 13.005 -5.774 6.696 1.00 0.00 H new ATOM 702 N ASN A 49 13.874 -6.514 9.657 1.00 0.00 N ATOM 703 CA ASN A 49 13.306 -6.505 11.000 1.00 0.00 C ATOM 704 C ASN A 49 11.881 -5.961 10.984 1.00 0.00 C ATOM 705 O ASN A 49 11.430 -5.345 11.950 1.00 0.00 O ATOM 706 CB ASN A 49 14.174 -5.662 11.938 1.00 0.00 C ATOM 707 CG ASN A 49 15.657 -5.890 11.713 1.00 0.00 C ATOM 708 OD1 ASN A 49 16.418 -4.943 11.515 1.00 0.00 O ATOM 709 ND2 ASN A 49 16.073 -7.151 11.742 1.00 0.00 N ATOM 0 H ASN A 49 14.495 -5.730 9.456 1.00 0.00 H new ATOM 0 HA ASN A 49 13.281 -7.532 11.363 1.00 0.00 H new ATOM 0 HB2 ASN A 49 13.945 -4.607 11.791 1.00 0.00 H new ATOM 0 HB3 ASN A 49 13.925 -5.901 12.972 1.00 0.00 H new ATOM 0 HD21 ASN A 49 17.059 -7.366 11.597 1.00 0.00 H new ATOM 0 HD22 ASN A 49 15.406 -7.904 11.910 1.00 0.00 H new ATOM 716 N ARG A 50 11.177 -6.194 9.881 1.00 0.00 N ATOM 717 CA ARG A 50 9.803 -5.728 9.739 1.00 0.00 C ATOM 718 C ARG A 50 9.650 -4.313 10.288 1.00 0.00 C ATOM 719 O ARG A 50 8.595 -3.949 10.807 1.00 0.00 O ATOM 720 CB ARG A 50 8.843 -6.674 10.462 1.00 0.00 C ATOM 721 CG ARG A 50 8.795 -8.069 9.861 1.00 0.00 C ATOM 722 CD ARG A 50 8.020 -9.031 10.748 1.00 0.00 C ATOM 723 NE ARG A 50 8.868 -9.637 11.771 1.00 0.00 N ATOM 724 CZ ARG A 50 8.551 -10.748 12.425 1.00 0.00 C ATOM 725 NH1 ARG A 50 7.410 -11.373 12.164 1.00 0.00 N ATOM 726 NH2 ARG A 50 9.375 -11.238 13.343 1.00 0.00 N ATOM 0 H ARG A 50 11.536 -6.703 9.073 1.00 0.00 H new ATOM 0 HA ARG A 50 9.558 -5.716 8.677 1.00 0.00 H new ATOM 0 HB2 ARG A 50 9.139 -6.748 11.508 1.00 0.00 H new ATOM 0 HB3 ARG A 50 7.841 -6.245 10.444 1.00 0.00 H new ATOM 0 HG2 ARG A 50 8.331 -8.026 8.876 1.00 0.00 H new ATOM 0 HG3 ARG A 50 9.810 -8.440 9.719 1.00 0.00 H new ATOM 0 HD2 ARG A 50 7.198 -8.500 11.227 1.00 0.00 H new ATOM 0 HD3 ARG A 50 7.578 -9.815 10.133 1.00 0.00 H new ATOM 0 HE ARG A 50 9.753 -9.182 11.995 1.00 0.00 H new ATOM 0 HH11 ARG A 50 6.774 -11.000 11.459 1.00 0.00 H new ATOM 0 HH12 ARG A 50 7.169 -12.226 12.668 1.00 0.00 H new ATOM 0 HH21 ARG A 50 10.253 -10.761 13.547 1.00 0.00 H new ATOM 0 HH22 ARG A 50 9.130 -12.092 13.845 1.00 0.00 H new ATOM 740 N ASN A 51 10.710 -3.519 10.170 1.00 0.00 N ATOM 741 CA ASN A 51 10.693 -2.144 10.656 1.00 0.00 C ATOM 742 C ASN A 51 11.009 -1.165 9.529 1.00 0.00 C ATOM 743 O ASN A 51 11.365 -0.013 9.775 1.00 0.00 O ATOM 744 CB ASN A 51 11.701 -1.971 11.794 1.00 0.00 C ATOM 745 CG ASN A 51 11.432 -2.914 12.951 1.00 0.00 C ATOM 746 OD1 ASN A 51 10.283 -3.242 13.246 1.00 0.00 O ATOM 747 ND2 ASN A 51 12.496 -3.354 13.614 1.00 0.00 N ATOM 0 H ASN A 51 11.591 -3.804 9.742 1.00 0.00 H new ATOM 0 HA ASN A 51 9.692 -1.929 11.030 1.00 0.00 H new ATOM 0 HB2 ASN A 51 12.708 -2.144 11.414 1.00 0.00 H new ATOM 0 HB3 ASN A 51 11.668 -0.942 12.152 1.00 0.00 H new ATOM 0 HD21 ASN A 51 12.378 -3.990 14.403 1.00 0.00 H new ATOM 0 HD22 ASN A 51 13.430 -3.056 13.334 1.00 0.00 H new ATOM 754 N CYS A 52 10.876 -1.633 8.292 1.00 0.00 N ATOM 755 CA CYS A 52 11.147 -0.800 7.126 1.00 0.00 C ATOM 756 C CYS A 52 10.256 0.439 7.124 1.00 0.00 C ATOM 757 O CYS A 52 9.039 0.360 7.293 1.00 0.00 O ATOM 758 CB CYS A 52 10.929 -1.600 5.840 1.00 0.00 C ATOM 759 SG CYS A 52 11.572 -3.303 5.906 1.00 0.00 S ATOM 0 H CYS A 52 10.582 -2.585 8.071 1.00 0.00 H new ATOM 0 HA CYS A 52 12.187 -0.478 7.174 1.00 0.00 H new ATOM 0 HB2 CYS A 52 9.861 -1.634 5.623 1.00 0.00 H new ATOM 0 HB3 CYS A 52 11.406 -1.075 5.013 1.00 0.00 H new ATOM 764 N PRO A 53 10.876 1.613 6.929 1.00 0.00 N ATOM 765 CA PRO A 53 10.159 2.891 6.900 1.00 0.00 C ATOM 766 C PRO A 53 9.283 3.036 5.660 1.00 0.00 C ATOM 767 O PRO A 53 9.768 3.384 4.583 1.00 0.00 O ATOM 768 CB PRO A 53 11.285 3.928 6.883 1.00 0.00 C ATOM 769 CG PRO A 53 12.448 3.215 6.285 1.00 0.00 C ATOM 770 CD PRO A 53 12.324 1.782 6.721 1.00 0.00 C ATOM 0 HA PRO A 53 9.477 2.995 7.744 1.00 0.00 H new ATOM 0 HB2 PRO A 53 11.010 4.802 6.292 1.00 0.00 H new ATOM 0 HB3 PRO A 53 11.512 4.282 7.889 1.00 0.00 H new ATOM 0 HG2 PRO A 53 12.437 3.294 5.198 1.00 0.00 H new ATOM 0 HG3 PRO A 53 13.388 3.647 6.627 1.00 0.00 H new ATOM 0 HD2 PRO A 53 12.704 1.097 5.963 1.00 0.00 H new ATOM 0 HD3 PRO A 53 12.886 1.590 7.635 1.00 0.00 H new ATOM 778 N ILE A 54 7.992 2.768 5.820 1.00 0.00 N ATOM 779 CA ILE A 54 7.048 2.871 4.713 1.00 0.00 C ATOM 780 C ILE A 54 6.567 4.306 4.532 1.00 0.00 C ATOM 781 O ILE A 54 5.663 4.762 5.234 1.00 0.00 O ATOM 782 CB ILE A 54 5.828 1.955 4.927 1.00 0.00 C ATOM 783 CG1 ILE A 54 6.280 0.509 5.144 1.00 0.00 C ATOM 784 CG2 ILE A 54 4.883 2.047 3.739 1.00 0.00 C ATOM 785 CD1 ILE A 54 7.082 -0.053 3.991 1.00 0.00 C ATOM 0 H ILE A 54 7.575 2.478 6.705 1.00 0.00 H new ATOM 0 HA ILE A 54 7.578 2.553 3.815 1.00 0.00 H new ATOM 0 HB ILE A 54 5.295 2.287 5.818 1.00 0.00 H new ATOM 0 HG12 ILE A 54 6.880 0.457 6.053 1.00 0.00 H new ATOM 0 HG13 ILE A 54 5.402 -0.117 5.305 1.00 0.00 H new ATOM 0 HG21 ILE A 54 4.026 1.394 3.905 1.00 0.00 H new ATOM 0 HG22 ILE A 54 4.540 3.075 3.626 1.00 0.00 H new ATOM 0 HG23 ILE A 54 5.405 1.737 2.834 1.00 0.00 H new ATOM 0 HD11 ILE A 54 7.369 -1.081 4.214 1.00 0.00 H new ATOM 0 HD12 ILE A 54 6.478 -0.033 3.084 1.00 0.00 H new ATOM 0 HD13 ILE A 54 7.978 0.550 3.843 1.00 0.00 H new ATOM 797 N ASP A 55 7.175 5.013 3.587 1.00 0.00 N ATOM 798 CA ASP A 55 6.806 6.397 3.311 1.00 0.00 C ATOM 799 C ASP A 55 6.370 6.564 1.859 1.00 0.00 C ATOM 800 O ASP A 55 6.357 5.603 1.091 1.00 0.00 O ATOM 801 CB ASP A 55 7.980 7.330 3.614 1.00 0.00 C ATOM 802 CG ASP A 55 7.971 7.825 5.047 1.00 0.00 C ATOM 803 OD1 ASP A 55 6.899 8.258 5.518 1.00 0.00 O ATOM 804 OD2 ASP A 55 9.036 7.780 5.697 1.00 0.00 O ATOM 0 H ASP A 55 7.926 4.651 2.999 1.00 0.00 H new ATOM 0 HA ASP A 55 5.967 6.659 3.956 1.00 0.00 H new ATOM 0 HB2 ASP A 55 8.916 6.806 3.419 1.00 0.00 H new ATOM 0 HB3 ASP A 55 7.946 8.184 2.937 1.00 0.00 H new ATOM 809 N GLN A 56 6.012 7.790 1.491 1.00 0.00 N ATOM 810 CA GLN A 56 5.573 8.082 0.131 1.00 0.00 C ATOM 811 C GLN A 56 6.755 8.469 -0.751 1.00 0.00 C ATOM 812 O GLN A 56 6.782 8.158 -1.942 1.00 0.00 O ATOM 813 CB GLN A 56 4.536 9.206 0.138 1.00 0.00 C ATOM 814 CG GLN A 56 4.385 9.903 -1.205 1.00 0.00 C ATOM 815 CD GLN A 56 4.340 8.929 -2.366 1.00 0.00 C ATOM 816 OE1 GLN A 56 4.975 9.146 -3.398 1.00 0.00 O ATOM 817 NE2 GLN A 56 3.587 7.848 -2.203 1.00 0.00 N ATOM 0 H GLN A 56 6.017 8.597 2.115 1.00 0.00 H new ATOM 0 HA GLN A 56 5.118 7.180 -0.279 1.00 0.00 H new ATOM 0 HB2 GLN A 56 3.571 8.797 0.436 1.00 0.00 H new ATOM 0 HB3 GLN A 56 4.816 9.943 0.891 1.00 0.00 H new ATOM 0 HG2 GLN A 56 3.472 10.499 -1.200 1.00 0.00 H new ATOM 0 HG3 GLN A 56 5.216 10.594 -1.347 1.00 0.00 H new ATOM 0 HE21 GLN A 56 3.077 7.708 -1.331 1.00 0.00 H new ATOM 0 HE22 GLN A 56 3.518 7.157 -2.950 1.00 0.00 H new ATOM 826 N HIS A 57 7.731 9.150 -0.159 1.00 0.00 N ATOM 827 CA HIS A 57 8.916 9.580 -0.892 1.00 0.00 C ATOM 828 C HIS A 57 9.872 8.412 -1.113 1.00 0.00 C ATOM 829 O HIS A 57 11.074 8.526 -0.873 1.00 0.00 O ATOM 830 CB HIS A 57 9.630 10.702 -0.137 1.00 0.00 C ATOM 831 CG HIS A 57 8.793 11.932 0.039 1.00 0.00 C ATOM 832 ND1 HIS A 57 8.590 12.853 -0.966 1.00 0.00 N ATOM 833 CD2 HIS A 57 8.106 12.389 1.111 1.00 0.00 C ATOM 834 CE1 HIS A 57 7.815 13.825 -0.519 1.00 0.00 C ATOM 835 NE2 HIS A 57 7.507 13.567 0.739 1.00 0.00 N ATOM 0 H HIS A 57 7.725 9.416 0.826 1.00 0.00 H new ATOM 0 HA HIS A 57 8.595 9.953 -1.865 1.00 0.00 H new ATOM 0 HB2 HIS A 57 9.932 10.334 0.844 1.00 0.00 H new ATOM 0 HB3 HIS A 57 10.542 10.966 -0.673 1.00 0.00 H new ATOM 0 HD2 HIS A 57 8.041 11.915 2.079 1.00 0.00 H new ATOM 0 HE1 HIS A 57 7.489 14.684 -1.086 1.00 0.00 H new ATOM 0 HE2 HIS A 57 6.920 14.148 1.337 1.00 0.00 H new ATOM 843 N HIS A 58 9.329 7.288 -1.570 1.00 0.00 N ATOM 844 CA HIS A 58 10.134 6.098 -1.823 1.00 0.00 C ATOM 845 C HIS A 58 9.450 5.184 -2.836 1.00 0.00 C ATOM 846 O HIS A 58 8.339 4.706 -2.603 1.00 0.00 O ATOM 847 CB HIS A 58 10.382 5.338 -0.520 1.00 0.00 C ATOM 848 CG HIS A 58 11.542 4.393 -0.589 1.00 0.00 C ATOM 849 ND1 HIS A 58 12.250 3.988 0.523 1.00 0.00 N ATOM 850 CD2 HIS A 58 12.116 3.772 -1.646 1.00 0.00 C ATOM 851 CE1 HIS A 58 13.210 3.159 0.152 1.00 0.00 C ATOM 852 NE2 HIS A 58 13.150 3.011 -1.159 1.00 0.00 N ATOM 0 H HIS A 58 8.336 7.176 -1.773 1.00 0.00 H new ATOM 0 HA HIS A 58 11.090 6.418 -2.236 1.00 0.00 H new ATOM 0 HB2 HIS A 58 10.556 6.055 0.282 1.00 0.00 H new ATOM 0 HB3 HIS A 58 9.484 4.779 -0.258 1.00 0.00 H new ATOM 0 HD2 HIS A 58 11.816 3.859 -2.680 1.00 0.00 H new ATOM 0 HE1 HIS A 58 13.923 2.683 0.809 1.00 0.00 H new ATOM 0 HE2 HIS A 58 13.771 2.426 -1.719 1.00 0.00 H new ATOM 860 N ARG A 59 10.119 4.948 -3.959 1.00 0.00 N ATOM 861 CA ARG A 59 9.574 4.094 -5.008 1.00 0.00 C ATOM 862 C ARG A 59 9.541 2.636 -4.559 1.00 0.00 C ATOM 863 O ARG A 59 8.472 2.072 -4.327 1.00 0.00 O ATOM 864 CB ARG A 59 10.405 4.226 -6.285 1.00 0.00 C ATOM 865 CG ARG A 59 9.753 3.594 -7.504 1.00 0.00 C ATOM 866 CD ARG A 59 10.481 3.972 -8.785 1.00 0.00 C ATOM 867 NE ARG A 59 9.840 3.403 -9.967 1.00 0.00 N ATOM 868 CZ ARG A 59 10.429 3.323 -11.155 1.00 0.00 C ATOM 869 NH1 ARG A 59 11.666 3.773 -11.317 1.00 0.00 N ATOM 870 NH2 ARG A 59 9.781 2.791 -12.184 1.00 0.00 N ATOM 0 H ARG A 59 11.039 5.336 -4.166 1.00 0.00 H new ATOM 0 HA ARG A 59 8.553 4.417 -5.212 1.00 0.00 H new ATOM 0 HB2 ARG A 59 10.583 5.283 -6.485 1.00 0.00 H new ATOM 0 HB3 ARG A 59 11.379 3.764 -6.124 1.00 0.00 H new ATOM 0 HG2 ARG A 59 9.748 2.510 -7.394 1.00 0.00 H new ATOM 0 HG3 ARG A 59 8.713 3.913 -7.568 1.00 0.00 H new ATOM 0 HD2 ARG A 59 10.513 5.058 -8.877 1.00 0.00 H new ATOM 0 HD3 ARG A 59 11.513 3.626 -8.731 1.00 0.00 H new ATOM 0 HE ARG A 59 8.888 3.048 -9.876 1.00 0.00 H new ATOM 0 HH11 ARG A 59 12.167 4.182 -10.528 1.00 0.00 H new ATOM 0 HH12 ARG A 59 12.116 3.710 -12.230 1.00 0.00 H new ATOM 0 HH21 ARG A 59 8.830 2.443 -12.063 1.00 0.00 H new ATOM 0 HH22 ARG A 59 10.234 2.730 -13.096 1.00 0.00 H new ATOM 884 N ASN A 60 10.719 2.032 -4.438 1.00 0.00 N ATOM 885 CA ASN A 60 10.824 0.639 -4.018 1.00 0.00 C ATOM 886 C ASN A 60 10.819 0.528 -2.496 1.00 0.00 C ATOM 887 O ASN A 60 11.816 0.828 -1.839 1.00 0.00 O ATOM 888 CB ASN A 60 12.099 0.009 -4.582 1.00 0.00 C ATOM 889 CG ASN A 60 12.247 -1.448 -4.189 1.00 0.00 C ATOM 890 OD1 ASN A 60 11.258 -2.156 -4.002 1.00 0.00 O ATOM 891 ND2 ASN A 60 13.488 -1.902 -4.060 1.00 0.00 N ATOM 0 H ASN A 60 11.614 2.485 -4.625 1.00 0.00 H new ATOM 0 HA ASN A 60 9.959 0.102 -4.407 1.00 0.00 H new ATOM 0 HB2 ASN A 60 12.091 0.090 -5.669 1.00 0.00 H new ATOM 0 HB3 ASN A 60 12.965 0.568 -4.227 1.00 0.00 H new ATOM 0 HD21 ASN A 60 13.651 -2.874 -3.796 1.00 0.00 H new ATOM 0 HD22 ASN A 60 14.279 -1.279 -4.225 1.00 0.00 H new ATOM 898 N GLN A 61 9.690 0.096 -1.943 1.00 0.00 N ATOM 899 CA GLN A 61 9.556 -0.054 -0.499 1.00 0.00 C ATOM 900 C GLN A 61 9.142 -1.477 -0.136 1.00 0.00 C ATOM 901 O GLN A 61 8.697 -2.243 -0.991 1.00 0.00 O ATOM 902 CB GLN A 61 8.531 0.942 0.045 1.00 0.00 C ATOM 903 CG GLN A 61 9.068 2.359 0.171 1.00 0.00 C ATOM 904 CD GLN A 61 8.432 3.124 1.315 1.00 0.00 C ATOM 905 OE1 GLN A 61 9.117 3.564 2.239 1.00 0.00 O ATOM 906 NE2 GLN A 61 7.115 3.287 1.260 1.00 0.00 N ATOM 0 H GLN A 61 8.856 -0.156 -2.473 1.00 0.00 H new ATOM 0 HA GLN A 61 10.526 0.150 -0.046 1.00 0.00 H new ATOM 0 HB2 GLN A 61 7.660 0.949 -0.611 1.00 0.00 H new ATOM 0 HB3 GLN A 61 8.191 0.603 1.023 1.00 0.00 H new ATOM 0 HG2 GLN A 61 10.147 2.323 0.319 1.00 0.00 H new ATOM 0 HG3 GLN A 61 8.892 2.895 -0.762 1.00 0.00 H new ATOM 0 HE21 GLN A 61 6.586 2.906 0.476 1.00 0.00 H new ATOM 0 HE22 GLN A 61 6.632 3.794 2.002 1.00 0.00 H new ATOM 915 N CYS A 62 9.293 -1.824 1.138 1.00 0.00 N ATOM 916 CA CYS A 62 8.936 -3.155 1.615 1.00 0.00 C ATOM 917 C CYS A 62 7.473 -3.466 1.315 1.00 0.00 C ATOM 918 O CYS A 62 6.603 -2.608 1.464 1.00 0.00 O ATOM 919 CB CYS A 62 9.195 -3.266 3.119 1.00 0.00 C ATOM 920 SG CYS A 62 8.990 -4.949 3.786 1.00 0.00 S ATOM 0 H CYS A 62 9.660 -1.202 1.858 1.00 0.00 H new ATOM 0 HA CYS A 62 9.558 -3.881 1.091 1.00 0.00 H new ATOM 0 HB2 CYS A 62 10.209 -2.925 3.329 1.00 0.00 H new ATOM 0 HB3 CYS A 62 8.517 -2.593 3.644 1.00 0.00 H new ATOM 925 N GLN A 63 7.210 -4.699 0.893 1.00 0.00 N ATOM 926 CA GLN A 63 5.853 -5.123 0.572 1.00 0.00 C ATOM 927 C GLN A 63 5.102 -5.544 1.831 1.00 0.00 C ATOM 928 O GLN A 63 3.987 -5.085 2.083 1.00 0.00 O ATOM 929 CB GLN A 63 5.880 -6.278 -0.430 1.00 0.00 C ATOM 930 CG GLN A 63 6.140 -5.836 -1.862 1.00 0.00 C ATOM 931 CD GLN A 63 5.815 -6.917 -2.874 1.00 0.00 C ATOM 932 OE1 GLN A 63 6.367 -8.016 -2.824 1.00 0.00 O ATOM 933 NE2 GLN A 63 4.915 -6.609 -3.801 1.00 0.00 N ATOM 0 H GLN A 63 7.919 -5.421 0.766 1.00 0.00 H new ATOM 0 HA GLN A 63 5.331 -4.277 0.126 1.00 0.00 H new ATOM 0 HB2 GLN A 63 6.651 -6.988 -0.132 1.00 0.00 H new ATOM 0 HB3 GLN A 63 4.927 -6.806 -0.389 1.00 0.00 H new ATOM 0 HG2 GLN A 63 5.544 -4.950 -2.079 1.00 0.00 H new ATOM 0 HG3 GLN A 63 7.187 -5.549 -1.966 1.00 0.00 H new ATOM 0 HE21 GLN A 63 4.482 -5.685 -3.805 1.00 0.00 H new ATOM 0 HE22 GLN A 63 4.657 -7.296 -4.509 1.00 0.00 H new ATOM 942 N TYR A 64 5.719 -6.418 2.617 1.00 0.00 N ATOM 943 CA TYR A 64 5.108 -6.903 3.848 1.00 0.00 C ATOM 944 C TYR A 64 4.806 -5.749 4.799 1.00 0.00 C ATOM 945 O TYR A 64 3.656 -5.526 5.179 1.00 0.00 O ATOM 946 CB TYR A 64 6.027 -7.916 4.534 1.00 0.00 C ATOM 947 CG TYR A 64 5.677 -8.166 5.984 1.00 0.00 C ATOM 948 CD1 TYR A 64 4.723 -9.114 6.335 1.00 0.00 C ATOM 949 CD2 TYR A 64 6.299 -7.455 7.002 1.00 0.00 C ATOM 950 CE1 TYR A 64 4.400 -9.346 7.658 1.00 0.00 C ATOM 951 CE2 TYR A 64 5.983 -7.681 8.328 1.00 0.00 C ATOM 952 CZ TYR A 64 5.033 -8.627 8.650 1.00 0.00 C ATOM 953 OH TYR A 64 4.714 -8.855 9.970 1.00 0.00 O ATOM 0 H TYR A 64 6.643 -6.805 2.424 1.00 0.00 H new ATOM 0 HA TYR A 64 4.169 -7.391 3.589 1.00 0.00 H new ATOM 0 HB2 TYR A 64 5.983 -8.860 3.990 1.00 0.00 H new ATOM 0 HB3 TYR A 64 7.056 -7.560 4.473 1.00 0.00 H new ATOM 0 HD1 TYR A 64 4.226 -9.679 5.560 1.00 0.00 H new ATOM 0 HD2 TYR A 64 7.043 -6.712 6.753 1.00 0.00 H new ATOM 0 HE1 TYR A 64 3.656 -10.086 7.914 1.00 0.00 H new ATOM 0 HE2 TYR A 64 6.477 -7.120 9.107 1.00 0.00 H new ATOM 0 HH TYR A 64 4.437 -9.788 10.083 1.00 0.00 H new ATOM 963 N CYS A 65 5.848 -5.016 5.178 1.00 0.00 N ATOM 964 CA CYS A 65 5.697 -3.883 6.083 1.00 0.00 C ATOM 965 C CYS A 65 4.612 -2.931 5.588 1.00 0.00 C ATOM 966 O CYS A 65 3.729 -2.532 6.347 1.00 0.00 O ATOM 967 CB CYS A 65 7.024 -3.134 6.221 1.00 0.00 C ATOM 968 SG CYS A 65 8.254 -3.984 7.261 1.00 0.00 S ATOM 0 H CYS A 65 6.806 -5.187 4.872 1.00 0.00 H new ATOM 0 HA CYS A 65 5.400 -4.267 7.059 1.00 0.00 H new ATOM 0 HB2 CYS A 65 7.447 -2.981 5.228 1.00 0.00 H new ATOM 0 HB3 CYS A 65 6.830 -2.147 6.640 1.00 0.00 H new ATOM 973 N ARG A 66 4.685 -2.573 4.310 1.00 0.00 N ATOM 974 CA ARG A 66 3.710 -1.668 3.714 1.00 0.00 C ATOM 975 C ARG A 66 2.300 -2.244 3.815 1.00 0.00 C ATOM 976 O ARG A 66 1.397 -1.610 4.361 1.00 0.00 O ATOM 977 CB ARG A 66 4.059 -1.402 2.248 1.00 0.00 C ATOM 978 CG ARG A 66 3.057 -0.509 1.536 1.00 0.00 C ATOM 979 CD ARG A 66 3.584 -0.046 0.187 1.00 0.00 C ATOM 980 NE ARG A 66 2.787 1.046 -0.366 1.00 0.00 N ATOM 981 CZ ARG A 66 3.251 1.916 -1.257 1.00 0.00 C ATOM 982 NH1 ARG A 66 4.499 1.821 -1.694 1.00 0.00 N ATOM 983 NH2 ARG A 66 2.465 2.882 -1.714 1.00 0.00 N ATOM 0 H ARG A 66 5.409 -2.896 3.668 1.00 0.00 H new ATOM 0 HA ARG A 66 3.741 -0.728 4.265 1.00 0.00 H new ATOM 0 HB2 ARG A 66 5.045 -0.941 2.196 1.00 0.00 H new ATOM 0 HB3 ARG A 66 4.124 -2.354 1.720 1.00 0.00 H new ATOM 0 HG2 ARG A 66 2.121 -1.050 1.396 1.00 0.00 H new ATOM 0 HG3 ARG A 66 2.834 0.358 2.158 1.00 0.00 H new ATOM 0 HD2 ARG A 66 4.619 0.279 0.294 1.00 0.00 H new ATOM 0 HD3 ARG A 66 3.583 -0.884 -0.510 1.00 0.00 H new ATOM 0 HE ARG A 66 1.822 1.146 -0.051 1.00 0.00 H new ATOM 0 HH11 ARG A 66 5.106 1.079 -1.346 1.00 0.00 H new ATOM 0 HH12 ARG A 66 4.852 2.490 -2.378 1.00 0.00 H new ATOM 0 HH21 ARG A 66 1.504 2.957 -1.382 1.00 0.00 H new ATOM 0 HH22 ARG A 66 2.822 3.549 -2.398 1.00 0.00 H new ATOM 997 N LEU A 67 2.120 -3.449 3.285 1.00 0.00 N ATOM 998 CA LEU A 67 0.820 -4.111 3.315 1.00 0.00 C ATOM 999 C LEU A 67 0.272 -4.170 4.737 1.00 0.00 C ATOM 1000 O LEU A 67 -0.884 -3.822 4.984 1.00 0.00 O ATOM 1001 CB LEU A 67 0.932 -5.524 2.741 1.00 0.00 C ATOM 1002 CG LEU A 67 -0.203 -6.485 3.096 1.00 0.00 C ATOM 1003 CD1 LEU A 67 0.049 -7.131 4.450 1.00 0.00 C ATOM 1004 CD2 LEU A 67 -1.539 -5.758 3.091 1.00 0.00 C ATOM 0 H LEU A 67 2.857 -3.987 2.830 1.00 0.00 H new ATOM 0 HA LEU A 67 0.130 -3.530 2.703 1.00 0.00 H new ATOM 0 HB2 LEU A 67 0.992 -5.450 1.655 1.00 0.00 H new ATOM 0 HB3 LEU A 67 1.871 -5.960 3.083 1.00 0.00 H new ATOM 0 HG LEU A 67 -0.237 -7.271 2.341 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -0.769 -7.812 4.686 1.00 0.00 H new ATOM 0 HD12 LEU A 67 0.986 -7.687 4.419 1.00 0.00 H new ATOM 0 HD13 LEU A 67 0.110 -6.358 5.216 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -2.335 -6.458 3.346 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -1.517 -4.951 3.824 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -1.724 -5.343 2.100 1.00 0.00 H new ATOM 1016 N LYS A 68 1.108 -4.610 5.671 1.00 0.00 N ATOM 1017 CA LYS A 68 0.709 -4.712 7.069 1.00 0.00 C ATOM 1018 C LYS A 68 0.333 -3.343 7.628 1.00 0.00 C ATOM 1019 O LYS A 68 -0.717 -3.183 8.252 1.00 0.00 O ATOM 1020 CB LYS A 68 1.841 -5.320 7.901 1.00 0.00 C ATOM 1021 CG LYS A 68 2.170 -6.754 7.524 1.00 0.00 C ATOM 1022 CD LYS A 68 1.057 -7.706 7.929 1.00 0.00 C ATOM 1023 CE LYS A 68 1.270 -8.247 9.334 1.00 0.00 C ATOM 1024 NZ LYS A 68 0.320 -9.348 9.655 1.00 0.00 N ATOM 0 H LYS A 68 2.067 -4.902 5.484 1.00 0.00 H new ATOM 0 HA LYS A 68 -0.165 -5.361 7.125 1.00 0.00 H new ATOM 0 HB2 LYS A 68 2.735 -4.708 7.784 1.00 0.00 H new ATOM 0 HB3 LYS A 68 1.566 -5.284 8.955 1.00 0.00 H new ATOM 0 HG2 LYS A 68 2.333 -6.820 6.448 1.00 0.00 H new ATOM 0 HG3 LYS A 68 3.100 -7.054 8.007 1.00 0.00 H new ATOM 0 HD2 LYS A 68 0.099 -7.189 7.878 1.00 0.00 H new ATOM 0 HD3 LYS A 68 1.010 -8.534 7.222 1.00 0.00 H new ATOM 0 HE2 LYS A 68 2.293 -8.610 9.432 1.00 0.00 H new ATOM 0 HE3 LYS A 68 1.148 -7.440 10.056 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 0.498 -9.689 10.621 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -0.656 -8.995 9.587 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 0.454 -10.129 8.982 1.00 0.00 H new ATOM 1038 N LYS A 69 1.194 -2.358 7.400 1.00 0.00 N ATOM 1039 CA LYS A 69 0.951 -1.002 7.878 1.00 0.00 C ATOM 1040 C LYS A 69 -0.521 -0.632 7.737 1.00 0.00 C ATOM 1041 O LYS A 69 -1.030 0.218 8.469 1.00 0.00 O ATOM 1042 CB LYS A 69 1.816 -0.004 7.103 1.00 0.00 C ATOM 1043 CG LYS A 69 1.448 1.447 7.361 1.00 0.00 C ATOM 1044 CD LYS A 69 2.655 2.360 7.229 1.00 0.00 C ATOM 1045 CE LYS A 69 3.380 2.522 8.557 1.00 0.00 C ATOM 1046 NZ LYS A 69 4.764 3.039 8.374 1.00 0.00 N ATOM 0 H LYS A 69 2.068 -2.473 6.886 1.00 0.00 H new ATOM 0 HA LYS A 69 1.218 -0.962 8.934 1.00 0.00 H new ATOM 0 HB2 LYS A 69 2.862 -0.158 7.370 1.00 0.00 H new ATOM 0 HB3 LYS A 69 1.726 -0.209 6.036 1.00 0.00 H new ATOM 0 HG2 LYS A 69 0.676 1.758 6.657 1.00 0.00 H new ATOM 0 HG3 LYS A 69 1.025 1.544 8.361 1.00 0.00 H new ATOM 0 HD2 LYS A 69 3.341 1.953 6.486 1.00 0.00 H new ATOM 0 HD3 LYS A 69 2.336 3.337 6.866 1.00 0.00 H new ATOM 0 HE2 LYS A 69 2.819 3.204 9.196 1.00 0.00 H new ATOM 0 HE3 LYS A 69 3.416 1.561 9.071 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 5.139 3.358 9.290 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 5.370 2.283 7.996 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 4.751 3.838 7.708 1.00 0.00 H new ATOM 1060 N CYS A 70 -1.201 -1.274 6.794 1.00 0.00 N ATOM 1061 CA CYS A 70 -2.617 -1.012 6.559 1.00 0.00 C ATOM 1062 C CYS A 70 -3.464 -1.521 7.720 1.00 0.00 C ATOM 1063 O CYS A 70 -4.275 -0.782 8.281 1.00 0.00 O ATOM 1064 CB CYS A 70 -3.069 -1.672 5.255 1.00 0.00 C ATOM 1065 SG CYS A 70 -2.224 -1.051 3.782 1.00 0.00 S ATOM 0 H CYS A 70 -0.795 -1.980 6.179 1.00 0.00 H new ATOM 0 HA CYS A 70 -2.753 0.066 6.479 1.00 0.00 H new ATOM 0 HB2 CYS A 70 -2.905 -2.747 5.329 1.00 0.00 H new ATOM 0 HB3 CYS A 70 -4.142 -1.520 5.136 1.00 0.00 H new ATOM 0 HG CYS A 70 -2.152 -1.996 2.892 1.00 0.00 H new ATOM 1071 N LEU A 71 -3.273 -2.786 8.076 1.00 0.00 N ATOM 1072 CA LEU A 71 -4.021 -3.395 9.171 1.00 0.00 C ATOM 1073 C LEU A 71 -3.702 -2.709 10.496 1.00 0.00 C ATOM 1074 O LEU A 71 -4.472 -2.793 11.452 1.00 0.00 O ATOM 1075 CB LEU A 71 -3.700 -4.887 9.266 1.00 0.00 C ATOM 1076 CG LEU A 71 -3.753 -5.670 7.953 1.00 0.00 C ATOM 1077 CD1 LEU A 71 -2.949 -6.956 8.066 1.00 0.00 C ATOM 1078 CD2 LEU A 71 -5.194 -5.971 7.569 1.00 0.00 C ATOM 0 H LEU A 71 -2.606 -3.411 7.622 1.00 0.00 H new ATOM 0 HA LEU A 71 -5.084 -3.271 8.965 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -2.703 -4.997 9.692 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -4.398 -5.345 9.967 1.00 0.00 H new ATOM 0 HG LEU A 71 -3.310 -5.057 7.168 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -2.998 -7.500 7.123 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -1.910 -6.717 8.293 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -3.362 -7.574 8.863 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -5.212 -6.528 6.633 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -5.663 -6.564 8.354 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -5.740 -5.036 7.445 1.00 0.00 H new ATOM 1090 N LYS A 72 -2.561 -2.029 10.544 1.00 0.00 N ATOM 1091 CA LYS A 72 -2.141 -1.325 11.750 1.00 0.00 C ATOM 1092 C LYS A 72 -2.804 0.046 11.839 1.00 0.00 C ATOM 1093 O LYS A 72 -3.426 0.381 12.847 1.00 0.00 O ATOM 1094 CB LYS A 72 -0.619 -1.169 11.770 1.00 0.00 C ATOM 1095 CG LYS A 72 -0.088 -0.533 13.043 1.00 0.00 C ATOM 1096 CD LYS A 72 -0.031 0.981 12.927 1.00 0.00 C ATOM 1097 CE LYS A 72 0.089 1.640 14.293 1.00 0.00 C ATOM 1098 NZ LYS A 72 1.488 1.612 14.802 1.00 0.00 N ATOM 0 H LYS A 72 -1.911 -1.951 9.762 1.00 0.00 H new ATOM 0 HA LYS A 72 -2.451 -1.916 12.612 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -0.160 -2.150 11.646 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -0.313 -0.564 10.917 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -0.725 -0.811 13.883 1.00 0.00 H new ATOM 0 HG3 LYS A 72 0.908 -0.920 13.256 1.00 0.00 H new ATOM 0 HD2 LYS A 72 0.819 1.268 12.307 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -0.928 1.343 12.425 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -0.253 2.673 14.229 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -0.565 1.130 15.001 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 1.527 2.071 15.735 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 1.807 0.626 14.887 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 2.109 2.120 14.140 1.00 0.00 H new ATOM 1112 N VAL A 73 -2.668 0.834 10.777 1.00 0.00 N ATOM 1113 CA VAL A 73 -3.256 2.168 10.735 1.00 0.00 C ATOM 1114 C VAL A 73 -4.747 2.121 11.051 1.00 0.00 C ATOM 1115 O VAL A 73 -5.300 3.059 11.624 1.00 0.00 O ATOM 1116 CB VAL A 73 -3.055 2.826 9.357 1.00 0.00 C ATOM 1117 CG1 VAL A 73 -1.582 3.113 9.112 1.00 0.00 C ATOM 1118 CG2 VAL A 73 -3.625 1.943 8.257 1.00 0.00 C ATOM 0 H VAL A 73 -2.156 0.572 9.935 1.00 0.00 H new ATOM 0 HA VAL A 73 -2.746 2.764 11.492 1.00 0.00 H new ATOM 0 HB VAL A 73 -3.592 3.774 9.345 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -1.460 3.578 8.134 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -1.210 3.787 9.883 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -1.019 2.180 9.143 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -3.474 2.423 7.290 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -3.118 0.978 8.266 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -4.691 1.794 8.426 1.00 0.00 H new ATOM 1128 N GLY A 74 -5.392 1.022 10.674 1.00 0.00 N ATOM 1129 CA GLY A 74 -6.814 0.873 10.927 1.00 0.00 C ATOM 1130 C GLY A 74 -7.517 0.089 9.836 1.00 0.00 C ATOM 1131 O GLY A 74 -8.449 -0.667 10.109 1.00 0.00 O ATOM 0 H GLY A 74 -4.956 0.232 10.198 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -6.959 0.370 11.883 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -7.270 1.859 11.013 1.00 0.00 H new ATOM 1135 N MET A 75 -7.071 0.271 8.597 1.00 0.00 N ATOM 1136 CA MET A 75 -7.666 -0.424 7.462 1.00 0.00 C ATOM 1137 C MET A 75 -8.167 -1.805 7.872 1.00 0.00 C ATOM 1138 O MET A 75 -7.513 -2.510 8.641 1.00 0.00 O ATOM 1139 CB MET A 75 -6.648 -0.555 6.327 1.00 0.00 C ATOM 1140 CG MET A 75 -6.203 0.780 5.752 1.00 0.00 C ATOM 1141 SD MET A 75 -7.222 1.312 4.363 1.00 0.00 S ATOM 1142 CE MET A 75 -6.667 0.185 3.086 1.00 0.00 C ATOM 0 H MET A 75 -6.300 0.893 8.354 1.00 0.00 H new ATOM 0 HA MET A 75 -8.516 0.163 7.113 1.00 0.00 H new ATOM 0 HB2 MET A 75 -5.774 -1.092 6.694 1.00 0.00 H new ATOM 0 HB3 MET A 75 -7.081 -1.158 5.529 1.00 0.00 H new ATOM 0 HG2 MET A 75 -6.238 1.538 6.535 1.00 0.00 H new ATOM 0 HG3 MET A 75 -5.165 0.704 5.428 1.00 0.00 H new ATOM 0 HE1 MET A 75 -6.638 0.706 2.129 1.00 0.00 H new ATOM 0 HE2 MET A 75 -5.670 -0.180 3.331 1.00 0.00 H new ATOM 0 HE3 MET A 75 -7.356 -0.657 3.020 1.00 0.00 H new ATOM 1152 N ARG A 76 -9.331 -2.185 7.355 1.00 0.00 N ATOM 1153 CA ARG A 76 -9.920 -3.481 7.670 1.00 0.00 C ATOM 1154 C ARG A 76 -9.872 -4.409 6.459 1.00 0.00 C ATOM 1155 O ARG A 76 -9.904 -3.955 5.315 1.00 0.00 O ATOM 1156 CB ARG A 76 -11.367 -3.308 8.135 1.00 0.00 C ATOM 1157 CG ARG A 76 -12.275 -2.689 7.084 1.00 0.00 C ATOM 1158 CD ARG A 76 -13.459 -1.978 7.720 1.00 0.00 C ATOM 1159 NE ARG A 76 -14.603 -2.869 7.895 1.00 0.00 N ATOM 1160 CZ ARG A 76 -15.860 -2.445 7.973 1.00 0.00 C ATOM 1161 NH1 ARG A 76 -16.132 -1.150 7.890 1.00 0.00 N ATOM 1162 NH2 ARG A 76 -16.847 -3.317 8.132 1.00 0.00 N ATOM 0 H ARG A 76 -9.885 -1.614 6.716 1.00 0.00 H new ATOM 0 HA ARG A 76 -9.338 -3.930 8.474 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -11.767 -4.281 8.421 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -11.380 -2.683 9.028 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -11.706 -1.982 6.481 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -12.635 -3.466 6.410 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -13.162 -1.575 8.688 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -13.750 -1.132 7.098 1.00 0.00 H new ATOM 0 HE ARG A 76 -14.427 -3.872 7.961 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -15.376 -0.477 7.766 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -17.098 -0.827 7.950 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -16.641 -4.314 8.195 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -17.811 -2.990 8.192 1.00 0.00 H new ATOM 1176 N ARG A 77 -9.793 -5.709 6.720 1.00 0.00 N ATOM 1177 CA ARG A 77 -9.738 -6.701 5.652 1.00 0.00 C ATOM 1178 C ARG A 77 -11.142 -7.120 5.227 1.00 0.00 C ATOM 1179 O ARG A 77 -11.396 -7.365 4.048 1.00 0.00 O ATOM 1180 CB ARG A 77 -8.943 -7.926 6.105 1.00 0.00 C ATOM 1181 CG ARG A 77 -7.455 -7.660 6.271 1.00 0.00 C ATOM 1182 CD ARG A 77 -6.673 -8.954 6.438 1.00 0.00 C ATOM 1183 NE ARG A 77 -6.683 -9.760 5.220 1.00 0.00 N ATOM 1184 CZ ARG A 77 -6.483 -11.073 5.206 1.00 0.00 C ATOM 1185 NH1 ARG A 77 -6.259 -11.725 6.339 1.00 0.00 N ATOM 1186 NH2 ARG A 77 -6.507 -11.737 4.058 1.00 0.00 N ATOM 0 H ARG A 77 -9.766 -6.101 7.661 1.00 0.00 H new ATOM 0 HA ARG A 77 -9.238 -6.249 4.796 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -9.348 -8.281 7.053 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -9.081 -8.727 5.379 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -7.082 -7.118 5.402 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -7.293 -7.021 7.139 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -5.643 -8.723 6.711 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -7.099 -9.532 7.259 1.00 0.00 H new ATOM 0 HE ARG A 77 -6.853 -9.289 4.331 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -6.240 -11.218 7.224 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -6.106 -12.733 6.325 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -6.679 -11.239 3.184 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -6.353 -12.745 4.049 1.00 0.00 H new ATOM 1200 N GLU A 78 -12.048 -7.202 6.196 1.00 0.00 N ATOM 1201 CA GLU A 78 -13.426 -7.594 5.921 1.00 0.00 C ATOM 1202 C GLU A 78 -14.037 -6.710 4.838 1.00 0.00 C ATOM 1203 O GLU A 78 -14.768 -7.188 3.971 1.00 0.00 O ATOM 1204 CB GLU A 78 -14.267 -7.512 7.197 1.00 0.00 C ATOM 1205 CG GLU A 78 -14.316 -6.121 7.805 1.00 0.00 C ATOM 1206 CD GLU A 78 -14.942 -6.110 9.186 1.00 0.00 C ATOM 1207 OE1 GLU A 78 -14.329 -6.671 10.119 1.00 0.00 O ATOM 1208 OE2 GLU A 78 -16.043 -5.540 9.335 1.00 0.00 O ATOM 0 H GLU A 78 -11.853 -7.003 7.177 1.00 0.00 H new ATOM 0 HA GLU A 78 -13.420 -8.624 5.564 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -15.283 -7.838 6.974 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -13.864 -8.207 7.933 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -13.305 -5.719 7.865 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -14.883 -5.461 7.148 1.00 0.00 H new ATOM 1215 N ALA A 79 -13.734 -5.418 4.897 1.00 0.00 N ATOM 1216 CA ALA A 79 -14.252 -4.467 3.921 1.00 0.00 C ATOM 1217 C ALA A 79 -13.805 -4.830 2.509 1.00 0.00 C ATOM 1218 O ALA A 79 -14.578 -4.728 1.557 1.00 0.00 O ATOM 1219 CB ALA A 79 -13.804 -3.055 4.271 1.00 0.00 C ATOM 0 H ALA A 79 -13.133 -5.005 5.610 1.00 0.00 H new ATOM 0 HA ALA A 79 -15.341 -4.510 3.952 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -14.198 -2.355 3.534 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -14.178 -2.789 5.260 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -12.715 -3.008 4.270 1.00 0.00 H new ATOM 1225 N VAL A 80 -12.552 -5.255 2.381 1.00 0.00 N ATOM 1226 CA VAL A 80 -12.002 -5.635 1.085 1.00 0.00 C ATOM 1227 C VAL A 80 -12.902 -6.643 0.380 1.00 0.00 C ATOM 1228 O VAL A 80 -13.124 -6.554 -0.827 1.00 0.00 O ATOM 1229 CB VAL A 80 -10.591 -6.234 1.228 1.00 0.00 C ATOM 1230 CG1 VAL A 80 -10.098 -6.764 -0.110 1.00 0.00 C ATOM 1231 CG2 VAL A 80 -9.627 -5.199 1.788 1.00 0.00 C ATOM 0 H VAL A 80 -11.899 -5.345 3.159 1.00 0.00 H new ATOM 0 HA VAL A 80 -11.943 -4.725 0.487 1.00 0.00 H new ATOM 0 HB VAL A 80 -10.639 -7.069 1.927 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -9.099 -7.184 0.011 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -10.776 -7.539 -0.467 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -10.065 -5.950 -0.834 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -8.635 -5.640 1.882 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -9.581 -4.343 1.115 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -9.973 -4.872 2.768 1.00 0.00 H new ATOM 1241 N GLN A 81 -13.418 -7.602 1.143 1.00 0.00 N ATOM 1242 CA GLN A 81 -14.294 -8.628 0.591 1.00 0.00 C ATOM 1243 C GLN A 81 -15.716 -8.472 1.120 1.00 0.00 C ATOM 1244 O GLN A 81 -15.970 -8.659 2.310 1.00 0.00 O ATOM 1245 CB GLN A 81 -13.760 -10.021 0.931 1.00 0.00 C ATOM 1246 CG GLN A 81 -13.500 -10.227 2.414 1.00 0.00 C ATOM 1247 CD GLN A 81 -12.807 -11.543 2.708 1.00 0.00 C ATOM 1248 OE1 GLN A 81 -11.899 -11.954 1.985 1.00 0.00 O ATOM 1249 NE2 GLN A 81 -13.232 -12.212 3.773 1.00 0.00 N ATOM 0 H GLN A 81 -13.244 -7.689 2.144 1.00 0.00 H new ATOM 0 HA GLN A 81 -14.314 -8.509 -0.492 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -14.475 -10.769 0.589 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -12.834 -10.190 0.381 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -12.888 -9.407 2.789 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -14.447 -10.191 2.953 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -13.988 -11.834 4.345 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -12.803 -13.104 4.020 1.00 0.00 H new ATOM 1258 N ARG A 82 -16.639 -8.129 0.228 1.00 0.00 N ATOM 1259 CA ARG A 82 -18.036 -7.946 0.606 1.00 0.00 C ATOM 1260 C ARG A 82 -18.906 -9.054 0.021 1.00 0.00 C ATOM 1261 O ARG A 82 -18.810 -9.374 -1.163 1.00 0.00 O ATOM 1262 CB ARG A 82 -18.540 -6.582 0.131 1.00 0.00 C ATOM 1263 CG ARG A 82 -19.950 -6.258 0.599 1.00 0.00 C ATOM 1264 CD ARG A 82 -20.992 -6.740 -0.397 1.00 0.00 C ATOM 1265 NE ARG A 82 -22.329 -6.249 -0.072 1.00 0.00 N ATOM 1266 CZ ARG A 82 -23.447 -6.826 -0.496 1.00 0.00 C ATOM 1267 NH1 ARG A 82 -23.390 -7.910 -1.258 1.00 0.00 N ATOM 1268 NH2 ARG A 82 -24.626 -6.320 -0.158 1.00 0.00 N ATOM 0 H ARG A 82 -16.445 -7.972 -0.761 1.00 0.00 H new ATOM 0 HA ARG A 82 -18.102 -7.991 1.693 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -17.861 -5.808 0.488 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -18.512 -6.553 -0.958 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -20.129 -6.724 1.568 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -20.050 -5.182 0.739 1.00 0.00 H new ATOM 0 HD2 ARG A 82 -20.717 -6.408 -1.398 1.00 0.00 H new ATOM 0 HD3 ARG A 82 -21.000 -7.830 -0.414 1.00 0.00 H new ATOM 0 HE ARG A 82 -22.408 -5.417 0.513 1.00 0.00 H new ATOM 0 HH11 ARG A 82 -22.486 -8.302 -1.520 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -24.251 -8.351 -1.582 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -24.674 -5.487 0.428 1.00 0.00 H new ATOM 0 HH22 ARG A 82 -25.484 -6.764 -0.484 1.00 0.00 H new ATOM 1282 N GLY A 83 -19.756 -9.638 0.861 1.00 0.00 N ATOM 1283 CA GLY A 83 -20.631 -10.704 0.410 1.00 0.00 C ATOM 1284 C GLY A 83 -19.879 -11.988 0.123 1.00 0.00 C ATOM 1285 O GLY A 83 -20.003 -12.559 -0.961 1.00 0.00 O ATOM 0 H GLY A 83 -19.854 -9.391 1.846 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -21.390 -10.893 1.169 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -21.154 -10.384 -0.491 1.00 0.00 H new ATOM 1289 N SER A 84 -19.095 -12.443 1.095 1.00 0.00 N ATOM 1290 CA SER A 84 -18.315 -13.666 0.939 1.00 0.00 C ATOM 1291 C SER A 84 -18.778 -14.735 1.923 1.00 0.00 C ATOM 1292 O SER A 84 -19.012 -14.454 3.098 1.00 0.00 O ATOM 1293 CB SER A 84 -16.827 -13.376 1.145 1.00 0.00 C ATOM 1294 OG SER A 84 -16.094 -14.576 1.323 1.00 0.00 O ATOM 0 H SER A 84 -18.983 -11.984 1.999 1.00 0.00 H new ATOM 0 HA SER A 84 -18.468 -14.039 -0.074 1.00 0.00 H new ATOM 0 HB2 SER A 84 -16.437 -12.832 0.285 1.00 0.00 H new ATOM 0 HB3 SER A 84 -16.696 -12.733 2.015 1.00 0.00 H new ATOM 0 HG SER A 84 -15.146 -14.364 1.451 1.00 0.00 H new ATOM 1300 N GLY A 85 -18.909 -15.965 1.434 1.00 0.00 N ATOM 1301 CA GLY A 85 -19.344 -17.058 2.283 1.00 0.00 C ATOM 1302 C GLY A 85 -19.647 -18.318 1.495 1.00 0.00 C ATOM 1303 O GLY A 85 -18.750 -19.070 1.116 1.00 0.00 O ATOM 0 H GLY A 85 -18.722 -16.223 0.465 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -18.570 -17.271 3.021 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -20.234 -16.754 2.834 1.00 0.00 H new ATOM 1307 N PRO A 86 -20.941 -18.563 1.240 1.00 0.00 N ATOM 1308 CA PRO A 86 -21.391 -19.741 0.491 1.00 0.00 C ATOM 1309 C PRO A 86 -21.011 -19.669 -0.984 1.00 0.00 C ATOM 1310 O PRO A 86 -20.906 -18.584 -1.556 1.00 0.00 O ATOM 1311 CB PRO A 86 -22.912 -19.705 0.654 1.00 0.00 C ATOM 1312 CG PRO A 86 -23.233 -18.271 0.900 1.00 0.00 C ATOM 1313 CD PRO A 86 -22.065 -17.709 1.661 1.00 0.00 C ATOM 0 HA PRO A 86 -20.931 -20.658 0.859 1.00 0.00 H new ATOM 0 HB2 PRO A 86 -23.415 -20.076 -0.239 1.00 0.00 H new ATOM 0 HB3 PRO A 86 -23.236 -20.331 1.485 1.00 0.00 H new ATOM 0 HG2 PRO A 86 -23.380 -17.737 -0.039 1.00 0.00 H new ATOM 0 HG3 PRO A 86 -24.156 -18.170 1.471 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -21.890 -16.662 1.412 1.00 0.00 H new ATOM 0 HD3 PRO A 86 -22.226 -17.758 2.738 1.00 0.00 H new ATOM 1321 N SER A 87 -20.808 -20.832 -1.595 1.00 0.00 N ATOM 1322 CA SER A 87 -20.437 -20.901 -3.004 1.00 0.00 C ATOM 1323 C SER A 87 -21.590 -21.442 -3.843 1.00 0.00 C ATOM 1324 O SER A 87 -21.671 -22.642 -4.107 1.00 0.00 O ATOM 1325 CB SER A 87 -19.201 -21.784 -3.185 1.00 0.00 C ATOM 1326 OG SER A 87 -19.390 -23.054 -2.585 1.00 0.00 O ATOM 0 H SER A 87 -20.894 -21.739 -1.137 1.00 0.00 H new ATOM 0 HA SER A 87 -20.206 -19.891 -3.344 1.00 0.00 H new ATOM 0 HB2 SER A 87 -18.991 -21.908 -4.247 1.00 0.00 H new ATOM 0 HB3 SER A 87 -18.333 -21.295 -2.743 1.00 0.00 H new ATOM 0 HG SER A 87 -20.260 -23.416 -2.853 1.00 0.00 H new ATOM 1332 N SER A 88 -22.481 -20.548 -4.260 1.00 0.00 N ATOM 1333 CA SER A 88 -23.633 -20.935 -5.067 1.00 0.00 C ATOM 1334 C SER A 88 -23.540 -20.338 -6.468 1.00 0.00 C ATOM 1335 O SER A 88 -24.001 -19.224 -6.712 1.00 0.00 O ATOM 1336 CB SER A 88 -24.929 -20.482 -4.392 1.00 0.00 C ATOM 1337 OG SER A 88 -25.103 -21.123 -3.140 1.00 0.00 O ATOM 0 H SER A 88 -22.427 -19.551 -4.052 1.00 0.00 H new ATOM 0 HA SER A 88 -23.637 -22.022 -5.154 1.00 0.00 H new ATOM 0 HB2 SER A 88 -24.911 -19.401 -4.251 1.00 0.00 H new ATOM 0 HB3 SER A 88 -25.777 -20.705 -5.039 1.00 0.00 H new ATOM 0 HG SER A 88 -25.937 -20.815 -2.728 1.00 0.00 H new ATOM 1343 N GLY A 89 -22.939 -21.089 -7.386 1.00 0.00 N ATOM 1344 CA GLY A 89 -22.795 -20.618 -8.751 1.00 0.00 C ATOM 1345 C GLY A 89 -21.467 -19.927 -8.990 1.00 0.00 C ATOM 1346 O GLY A 89 -20.867 -20.131 -10.044 1.00 0.00 O ATOM 0 H GLY A 89 -22.549 -22.015 -7.209 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -22.890 -21.461 -9.435 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -23.607 -19.928 -8.981 1.00 0.00 H new TER 1350 GLY A 89 HETATM 1351 ZN ZN A 191 -0.462 5.402 0.324 1.00 0.00 ZN HETATM 1352 ZN ZN A 241 9.895 -4.715 5.984 1.00 0.00 ZN