USER MOD reduce.3.24.130724 H: found=0, std=0, add=495, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 493 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 NoAdj-H: A 28 HIS HD1 : A 28 HIS ND1 : A 201 ZNZN :(H bumps) USER MOD Set 1.1: A 49 ASN : amide:sc= -2.44! C(o=-6.3!,f=-14!) USER MOD Set 1.2: A 59 HIS : no HD1:sc= -3.86! C(o=-6.3!,f=-8.2!) USER MOD Set 1.3: A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=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 180:sc= -0.195 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 HIS : no HD1:sc= -0.0191 X(o=-0.019,f=-0.15) USER MOD Single : A 10 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 MET CE :methyl -173:sc= -0.552 (180deg=-0.677) USER MOD Single : A 24 ASN : amide:sc= 0 X(o=0,f=-0.0025) USER MOD Single : A 25 ASN : amide:sc= -3.18! C(o=-3.2!,f=-2.8!) USER MOD Single : A 26 SER OG : rot 55:sc= 0.354 USER MOD Single : A 38 GLN : amide:sc= 0 X(o=0,f=-0.051) USER MOD Single : A 48 LYS NZ :NH3+ -103:sc= -0.721 (180deg=-2.72!) USER MOD Single : A 53 HIS : no HD1:sc= -5.03! C(o=-5!,f=-8.3!) USER MOD Single : A 60 ASN : amide:sc= -1.68! X(o=-1.7!,f=-1.3) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 68 SER OG : rot 180:sc= -0.0847 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -28.888 -4.759 6.821 1.00 0.00 N ATOM 2 CA GLY A 1 -27.952 -3.753 6.354 1.00 0.00 C ATOM 3 C GLY A 1 -27.181 -4.203 5.129 1.00 0.00 C ATOM 4 O GLY A 1 -26.498 -5.226 5.158 1.00 0.00 O ATOM 0 H1 GLY A 1 -29.390 -4.403 7.660 1.00 0.00 H new ATOM 0 H2 GLY A 1 -29.575 -4.969 6.069 1.00 0.00 H new ATOM 0 H3 GLY A 1 -28.370 -5.626 7.069 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -28.494 -2.836 6.122 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -27.251 -3.515 7.154 1.00 0.00 H new ATOM 8 N SER A 2 -27.293 -3.437 4.048 1.00 0.00 N ATOM 9 CA SER A 2 -26.605 -3.765 2.804 1.00 0.00 C ATOM 10 C SER A 2 -25.452 -2.800 2.550 1.00 0.00 C ATOM 11 O SER A 2 -25.666 -1.620 2.272 1.00 0.00 O ATOM 12 CB SER A 2 -27.585 -3.728 1.630 1.00 0.00 C ATOM 13 OG SER A 2 -26.936 -4.057 0.414 1.00 0.00 O ATOM 0 H SER A 2 -27.853 -2.586 4.008 1.00 0.00 H new ATOM 0 HA SER A 2 -26.198 -4.772 2.897 1.00 0.00 H new ATOM 0 HB2 SER A 2 -28.401 -4.427 1.811 1.00 0.00 H new ATOM 0 HB3 SER A 2 -28.028 -2.735 1.553 1.00 0.00 H new ATOM 0 HG SER A 2 -27.584 -4.028 -0.321 1.00 0.00 H new ATOM 19 N SER A 3 -24.229 -3.310 2.648 1.00 0.00 N ATOM 20 CA SER A 3 -23.040 -2.493 2.432 1.00 0.00 C ATOM 21 C SER A 3 -22.723 -2.376 0.944 1.00 0.00 C ATOM 22 O SER A 3 -21.569 -2.484 0.534 1.00 0.00 O ATOM 23 CB SER A 3 -21.843 -3.090 3.175 1.00 0.00 C ATOM 24 OG SER A 3 -21.561 -4.401 2.716 1.00 0.00 O ATOM 0 H SER A 3 -24.035 -4.285 2.876 1.00 0.00 H new ATOM 0 HA SER A 3 -23.240 -1.495 2.822 1.00 0.00 H new ATOM 0 HB2 SER A 3 -20.969 -2.455 3.032 1.00 0.00 H new ATOM 0 HB3 SER A 3 -22.049 -3.112 4.245 1.00 0.00 H new ATOM 0 HG SER A 3 -20.791 -4.760 3.205 1.00 0.00 H new ATOM 30 N GLY A 4 -23.759 -2.155 0.140 1.00 0.00 N ATOM 31 CA GLY A 4 -23.572 -2.028 -1.293 1.00 0.00 C ATOM 32 C GLY A 4 -22.828 -3.207 -1.888 1.00 0.00 C ATOM 33 O GLY A 4 -22.947 -4.333 -1.404 1.00 0.00 O ATOM 0 H GLY A 4 -24.724 -2.062 0.456 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -24.545 -1.935 -1.776 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -23.022 -1.111 -1.505 1.00 0.00 H new ATOM 37 N SER A 5 -22.059 -2.950 -2.940 1.00 0.00 N ATOM 38 CA SER A 5 -21.297 -4.000 -3.605 1.00 0.00 C ATOM 39 C SER A 5 -19.803 -3.693 -3.570 1.00 0.00 C ATOM 40 O SER A 5 -18.994 -4.531 -3.171 1.00 0.00 O ATOM 41 CB SER A 5 -21.762 -4.158 -5.054 1.00 0.00 C ATOM 42 OG SER A 5 -21.516 -2.979 -5.801 1.00 0.00 O ATOM 0 H SER A 5 -21.947 -2.023 -3.351 1.00 0.00 H new ATOM 0 HA SER A 5 -21.471 -4.934 -3.071 1.00 0.00 H new ATOM 0 HB2 SER A 5 -21.244 -4.999 -5.515 1.00 0.00 H new ATOM 0 HB3 SER A 5 -22.827 -4.389 -5.074 1.00 0.00 H new ATOM 0 HG SER A 5 -21.821 -3.107 -6.724 1.00 0.00 H new ATOM 48 N SER A 6 -19.444 -2.484 -3.992 1.00 0.00 N ATOM 49 CA SER A 6 -18.047 -2.066 -4.013 1.00 0.00 C ATOM 50 C SER A 6 -17.760 -1.073 -2.890 1.00 0.00 C ATOM 51 O SER A 6 -18.271 0.046 -2.890 1.00 0.00 O ATOM 52 CB SER A 6 -17.701 -1.438 -5.364 1.00 0.00 C ATOM 53 OG SER A 6 -17.576 -2.429 -6.369 1.00 0.00 O ATOM 0 H SER A 6 -20.101 -1.778 -4.324 1.00 0.00 H new ATOM 0 HA SER A 6 -17.427 -2.949 -3.861 1.00 0.00 H new ATOM 0 HB2 SER A 6 -18.475 -0.725 -5.646 1.00 0.00 H new ATOM 0 HB3 SER A 6 -16.768 -0.880 -5.281 1.00 0.00 H new ATOM 0 HG SER A 6 -17.356 -2.002 -7.224 1.00 0.00 H new ATOM 59 N GLY A 7 -16.938 -1.493 -1.933 1.00 0.00 N ATOM 60 CA GLY A 7 -16.597 -0.630 -0.817 1.00 0.00 C ATOM 61 C GLY A 7 -15.128 -0.706 -0.453 1.00 0.00 C ATOM 62 O GLY A 7 -14.503 -1.760 -0.581 1.00 0.00 O ATOM 0 H GLY A 7 -16.502 -2.415 -1.911 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -16.853 0.400 -1.066 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -17.198 -0.907 0.049 1.00 0.00 H new ATOM 66 N CYS A 8 -14.573 0.412 0.001 1.00 0.00 N ATOM 67 CA CYS A 8 -13.167 0.469 0.383 1.00 0.00 C ATOM 68 C CYS A 8 -12.859 -0.548 1.478 1.00 0.00 C ATOM 69 O CYS A 8 -13.676 -0.783 2.370 1.00 0.00 O ATOM 70 CB CYS A 8 -12.804 1.876 0.862 1.00 0.00 C ATOM 71 SG CYS A 8 -11.194 1.981 1.708 1.00 0.00 S ATOM 0 H CYS A 8 -15.076 1.292 0.114 1.00 0.00 H new ATOM 0 HA CYS A 8 -12.568 0.225 -0.494 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -12.797 2.549 0.005 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -13.582 2.230 1.539 1.00 0.00 H new ATOM 76 N HIS A 9 -11.676 -1.148 1.405 1.00 0.00 N ATOM 77 CA HIS A 9 -11.259 -2.140 2.390 1.00 0.00 C ATOM 78 C HIS A 9 -10.508 -1.479 3.542 1.00 0.00 C ATOM 79 O HIS A 9 -10.634 -1.893 4.694 1.00 0.00 O ATOM 80 CB HIS A 9 -10.376 -3.202 1.733 1.00 0.00 C ATOM 81 CG HIS A 9 -10.338 -4.497 2.485 1.00 0.00 C ATOM 82 ND1 HIS A 9 -11.474 -5.197 2.836 1.00 0.00 N ATOM 83 CD2 HIS A 9 -9.293 -5.220 2.951 1.00 0.00 C ATOM 84 CE1 HIS A 9 -11.128 -6.294 3.486 1.00 0.00 C ATOM 85 NE2 HIS A 9 -9.811 -6.332 3.569 1.00 0.00 N ATOM 0 H HIS A 9 -10.989 -0.965 0.674 1.00 0.00 H new ATOM 0 HA HIS A 9 -12.154 -2.618 2.789 1.00 0.00 H new ATOM 0 HB2 HIS A 9 -10.738 -3.389 0.722 1.00 0.00 H new ATOM 0 HB3 HIS A 9 -9.361 -2.814 1.642 1.00 0.00 H new ATOM 0 HD2 HIS A 9 -8.247 -4.969 2.855 1.00 0.00 H new ATOM 0 HE1 HIS A 9 -11.807 -7.034 3.882 1.00 0.00 H new ATOM 0 HE2 HIS A 9 -9.266 -7.068 4.019 1.00 0.00 H new ATOM 94 N GLN A 10 -9.728 -0.452 3.222 1.00 0.00 N ATOM 95 CA GLN A 10 -8.957 0.265 4.231 1.00 0.00 C ATOM 96 C GLN A 10 -9.846 0.691 5.395 1.00 0.00 C ATOM 97 O GLN A 10 -9.763 0.134 6.490 1.00 0.00 O ATOM 98 CB GLN A 10 -8.283 1.491 3.612 1.00 0.00 C ATOM 99 CG GLN A 10 -7.513 2.333 4.617 1.00 0.00 C ATOM 100 CD GLN A 10 -6.227 1.670 5.070 1.00 0.00 C ATOM 101 OE1 GLN A 10 -5.254 1.599 4.319 1.00 0.00 O ATOM 102 NE2 GLN A 10 -6.216 1.181 6.304 1.00 0.00 N ATOM 0 H GLN A 10 -9.613 -0.098 2.272 1.00 0.00 H new ATOM 0 HA GLN A 10 -8.190 -0.409 4.612 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -7.602 1.163 2.827 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -9.042 2.112 3.136 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -7.281 3.301 4.173 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -8.144 2.524 5.485 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -7.045 1.262 6.892 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -5.378 0.724 6.664 1.00 0.00 H new ATOM 111 N CYS A 11 -10.697 1.682 5.151 1.00 0.00 N ATOM 112 CA CYS A 11 -11.601 2.185 6.178 1.00 0.00 C ATOM 113 C CYS A 11 -12.892 1.372 6.211 1.00 0.00 C ATOM 114 O CYS A 11 -13.355 0.964 7.275 1.00 0.00 O ATOM 115 CB CYS A 11 -11.920 3.660 5.928 1.00 0.00 C ATOM 116 SG CYS A 11 -12.741 3.984 4.334 1.00 0.00 S ATOM 0 H CYS A 11 -10.779 2.153 4.250 1.00 0.00 H new ATOM 0 HA CYS A 11 -11.105 2.086 7.144 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -12.558 4.024 6.733 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -10.994 4.233 5.971 1.00 0.00 H new ATOM 121 N GLY A 12 -13.469 1.140 5.035 1.00 0.00 N ATOM 122 CA GLY A 12 -14.701 0.377 4.951 1.00 0.00 C ATOM 123 C GLY A 12 -15.806 1.136 4.243 1.00 0.00 C ATOM 124 O GLY A 12 -16.604 0.546 3.515 1.00 0.00 O ATOM 0 H GLY A 12 -13.105 1.467 4.140 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -14.511 -0.558 4.423 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -15.031 0.114 5.956 1.00 0.00 H new ATOM 128 N GLU A 13 -15.853 2.447 4.458 1.00 0.00 N ATOM 129 CA GLU A 13 -16.870 3.286 3.836 1.00 0.00 C ATOM 130 C GLU A 13 -17.039 2.933 2.361 1.00 0.00 C ATOM 131 O GLU A 13 -16.161 2.320 1.753 1.00 0.00 O ATOM 132 CB GLU A 13 -16.502 4.764 3.980 1.00 0.00 C ATOM 133 CG GLU A 13 -15.967 5.127 5.354 1.00 0.00 C ATOM 134 CD GLU A 13 -16.311 6.547 5.758 1.00 0.00 C ATOM 135 OE1 GLU A 13 -17.314 7.084 5.244 1.00 0.00 O ATOM 136 OE2 GLU A 13 -15.577 7.122 6.589 1.00 0.00 O ATOM 0 H GLU A 13 -15.199 2.950 5.058 1.00 0.00 H new ATOM 0 HA GLU A 13 -17.816 3.104 4.346 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -15.754 5.018 3.229 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -17.383 5.371 3.770 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -16.373 4.435 6.092 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -14.884 5.003 5.362 1.00 0.00 H new ATOM 143 N PHE A 14 -18.174 3.325 1.791 1.00 0.00 N ATOM 144 CA PHE A 14 -18.460 3.049 0.388 1.00 0.00 C ATOM 145 C PHE A 14 -17.823 4.102 -0.514 1.00 0.00 C ATOM 146 O PHE A 14 -17.933 5.302 -0.258 1.00 0.00 O ATOM 147 CB PHE A 14 -19.971 3.006 0.152 1.00 0.00 C ATOM 148 CG PHE A 14 -20.368 2.188 -1.044 1.00 0.00 C ATOM 149 CD1 PHE A 14 -20.334 0.804 -0.995 1.00 0.00 C ATOM 150 CD2 PHE A 14 -20.775 2.804 -2.216 1.00 0.00 C ATOM 151 CE1 PHE A 14 -20.699 0.050 -2.094 1.00 0.00 C ATOM 152 CE2 PHE A 14 -21.141 2.055 -3.318 1.00 0.00 C ATOM 153 CZ PHE A 14 -21.104 0.675 -3.257 1.00 0.00 C ATOM 0 H PHE A 14 -18.910 3.835 2.279 1.00 0.00 H new ATOM 0 HA PHE A 14 -18.033 2.077 0.141 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -20.458 2.599 1.038 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -20.340 4.024 0.025 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -20.019 0.309 -0.088 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -20.807 3.882 -2.269 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -20.668 -1.028 -2.043 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -21.456 2.548 -4.226 1.00 0.00 H new ATOM 0 HZ PHE A 14 -21.391 0.087 -4.116 1.00 0.00 H new ATOM 163 N ILE A 15 -17.156 3.645 -1.568 1.00 0.00 N ATOM 164 CA ILE A 15 -16.502 4.547 -2.508 1.00 0.00 C ATOM 165 C ILE A 15 -17.483 5.050 -3.561 1.00 0.00 C ATOM 166 O ILE A 15 -18.225 4.267 -4.156 1.00 0.00 O ATOM 167 CB ILE A 15 -15.316 3.863 -3.212 1.00 0.00 C ATOM 168 CG1 ILE A 15 -14.459 3.105 -2.196 1.00 0.00 C ATOM 169 CG2 ILE A 15 -14.478 4.890 -3.958 1.00 0.00 C ATOM 170 CD1 ILE A 15 -13.548 2.073 -2.823 1.00 0.00 C ATOM 0 H ILE A 15 -17.054 2.655 -1.793 1.00 0.00 H new ATOM 0 HA ILE A 15 -16.131 5.392 -1.928 1.00 0.00 H new ATOM 0 HB ILE A 15 -15.707 3.147 -3.935 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -13.855 3.820 -1.638 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -15.113 2.611 -1.478 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -13.644 4.390 -4.450 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -15.095 5.389 -4.706 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -14.094 5.628 -3.253 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -12.971 1.575 -2.043 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -14.147 1.336 -3.358 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -12.869 2.563 -3.520 1.00 0.00 H new ATOM 182 N ILE A 16 -17.480 6.359 -3.788 1.00 0.00 N ATOM 183 CA ILE A 16 -18.368 6.965 -4.772 1.00 0.00 C ATOM 184 C ILE A 16 -17.611 7.939 -5.669 1.00 0.00 C ATOM 185 O ILE A 16 -17.090 8.951 -5.204 1.00 0.00 O ATOM 186 CB ILE A 16 -19.534 7.709 -4.096 1.00 0.00 C ATOM 187 CG1 ILE A 16 -20.187 6.821 -3.035 1.00 0.00 C ATOM 188 CG2 ILE A 16 -20.558 8.144 -5.133 1.00 0.00 C ATOM 189 CD1 ILE A 16 -21.239 7.534 -2.214 1.00 0.00 C ATOM 0 H ILE A 16 -16.873 7.020 -3.304 1.00 0.00 H new ATOM 0 HA ILE A 16 -18.769 6.152 -5.378 1.00 0.00 H new ATOM 0 HB ILE A 16 -19.141 8.600 -3.606 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -20.642 5.959 -3.524 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -19.415 6.438 -2.368 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -21.376 8.669 -4.639 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -20.084 8.809 -5.855 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -20.949 7.267 -5.649 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -21.659 6.844 -1.482 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -20.786 8.380 -1.697 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -22.031 7.893 -2.871 1.00 0.00 H new ATOM 201 N GLY A 17 -17.556 7.625 -6.960 1.00 0.00 N ATOM 202 CA GLY A 17 -16.862 8.483 -7.903 1.00 0.00 C ATOM 203 C GLY A 17 -15.571 7.867 -8.406 1.00 0.00 C ATOM 204 O GLY A 17 -15.494 7.419 -9.550 1.00 0.00 O ATOM 0 H GLY A 17 -17.979 6.792 -7.369 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -17.516 8.691 -8.750 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -16.644 9.439 -7.427 1.00 0.00 H new ATOM 208 N ARG A 18 -14.555 7.846 -7.551 1.00 0.00 N ATOM 209 CA ARG A 18 -13.260 7.284 -7.916 1.00 0.00 C ATOM 210 C ARG A 18 -12.943 6.055 -7.069 1.00 0.00 C ATOM 211 O ARG A 18 -12.783 6.151 -5.852 1.00 0.00 O ATOM 212 CB ARG A 18 -12.159 8.332 -7.746 1.00 0.00 C ATOM 213 CG ARG A 18 -10.757 7.744 -7.718 1.00 0.00 C ATOM 214 CD ARG A 18 -9.703 8.802 -8.003 1.00 0.00 C ATOM 215 NE ARG A 18 -8.529 8.240 -8.664 1.00 0.00 N ATOM 216 CZ ARG A 18 -8.447 8.044 -9.976 1.00 0.00 C ATOM 217 NH1 ARG A 18 -9.466 8.364 -10.761 1.00 0.00 N ATOM 218 NH2 ARG A 18 -7.345 7.529 -10.504 1.00 0.00 N ATOM 0 H ARG A 18 -14.603 8.212 -6.600 1.00 0.00 H new ATOM 0 HA ARG A 18 -13.305 6.981 -8.962 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -12.226 9.052 -8.562 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -12.332 8.881 -6.821 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -10.569 7.295 -6.743 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -10.681 6.946 -8.456 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -10.133 9.583 -8.630 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -9.401 9.274 -7.068 1.00 0.00 H new ATOM 0 HE ARG A 18 -7.728 7.984 -8.087 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -10.315 8.761 -10.358 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -9.401 8.213 -11.768 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -6.559 7.283 -9.903 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -7.284 7.379 -11.511 1.00 0.00 H new ATOM 232 N VAL A 19 -12.853 4.900 -7.721 1.00 0.00 N ATOM 233 CA VAL A 19 -12.555 3.652 -7.029 1.00 0.00 C ATOM 234 C VAL A 19 -11.184 3.117 -7.427 1.00 0.00 C ATOM 235 O VAL A 19 -10.944 2.803 -8.593 1.00 0.00 O ATOM 236 CB VAL A 19 -13.618 2.578 -7.324 1.00 0.00 C ATOM 237 CG1 VAL A 19 -13.064 1.188 -7.052 1.00 0.00 C ATOM 238 CG2 VAL A 19 -14.873 2.831 -6.502 1.00 0.00 C ATOM 0 H VAL A 19 -12.982 4.803 -8.728 1.00 0.00 H new ATOM 0 HA VAL A 19 -12.560 3.873 -5.962 1.00 0.00 H new ATOM 0 HB VAL A 19 -13.884 2.636 -8.379 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -13.830 0.443 -7.266 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -12.197 1.011 -7.689 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -12.767 1.113 -6.006 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -15.614 2.063 -6.723 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -14.625 2.802 -5.441 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -15.281 3.810 -6.752 1.00 0.00 H new ATOM 248 N ILE A 20 -10.288 3.016 -6.450 1.00 0.00 N ATOM 249 CA ILE A 20 -8.941 2.518 -6.699 1.00 0.00 C ATOM 250 C ILE A 20 -8.879 1.002 -6.545 1.00 0.00 C ATOM 251 O ILE A 20 -8.893 0.478 -5.431 1.00 0.00 O ATOM 252 CB ILE A 20 -7.918 3.161 -5.745 1.00 0.00 C ATOM 253 CG1 ILE A 20 -8.167 4.667 -5.634 1.00 0.00 C ATOM 254 CG2 ILE A 20 -6.500 2.888 -6.226 1.00 0.00 C ATOM 255 CD1 ILE A 20 -7.947 5.413 -6.932 1.00 0.00 C ATOM 0 H ILE A 20 -10.471 3.272 -5.480 1.00 0.00 H new ATOM 0 HA ILE A 20 -8.689 2.788 -7.725 1.00 0.00 H new ATOM 0 HB ILE A 20 -8.038 2.718 -4.756 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -9.190 4.834 -5.297 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -7.508 5.081 -4.870 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -5.788 3.349 -5.541 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -6.328 1.812 -6.258 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -6.367 3.307 -7.223 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -8.142 6.475 -6.779 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -6.917 5.276 -7.260 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -8.624 5.026 -7.693 1.00 0.00 H new ATOM 267 N LYS A 21 -8.809 0.301 -7.672 1.00 0.00 N ATOM 268 CA LYS A 21 -8.741 -1.156 -7.664 1.00 0.00 C ATOM 269 C LYS A 21 -7.322 -1.633 -7.375 1.00 0.00 C ATOM 270 O LYS A 21 -6.403 -1.384 -8.155 1.00 0.00 O ATOM 271 CB LYS A 21 -9.216 -1.716 -9.007 1.00 0.00 C ATOM 272 CG LYS A 21 -10.725 -1.689 -9.178 1.00 0.00 C ATOM 273 CD LYS A 21 -11.366 -2.970 -8.674 1.00 0.00 C ATOM 274 CE LYS A 21 -12.807 -2.741 -8.245 1.00 0.00 C ATOM 275 NZ LYS A 21 -13.513 -4.022 -7.964 1.00 0.00 N ATOM 0 H LYS A 21 -8.798 0.718 -8.603 1.00 0.00 H new ATOM 0 HA LYS A 21 -9.396 -1.521 -6.873 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -8.757 -1.143 -9.813 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -8.866 -2.743 -9.107 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -11.138 -0.837 -8.638 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -10.970 -1.548 -10.231 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -11.335 -3.727 -9.458 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -10.792 -3.359 -7.833 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -12.825 -2.113 -7.354 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -13.337 -2.198 -9.028 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -14.492 -3.823 -7.675 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -13.518 -4.611 -8.821 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -13.022 -4.528 -7.199 1.00 0.00 H new ATOM 289 N ALA A 22 -7.151 -2.321 -6.251 1.00 0.00 N ATOM 290 CA ALA A 22 -5.844 -2.836 -5.862 1.00 0.00 C ATOM 291 C ALA A 22 -5.981 -4.039 -4.935 1.00 0.00 C ATOM 292 O ALA A 22 -7.052 -4.287 -4.380 1.00 0.00 O ATOM 293 CB ALA A 22 -5.023 -1.743 -5.194 1.00 0.00 C ATOM 0 H ALA A 22 -7.901 -2.535 -5.594 1.00 0.00 H new ATOM 0 HA ALA A 22 -5.327 -3.163 -6.764 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -4.050 -2.142 -4.909 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -4.886 -0.915 -5.889 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -5.544 -1.388 -4.305 1.00 0.00 H new ATOM 299 N MET A 23 -4.892 -4.782 -4.771 1.00 0.00 N ATOM 300 CA MET A 23 -4.892 -5.959 -3.910 1.00 0.00 C ATOM 301 C MET A 23 -6.168 -6.773 -4.102 1.00 0.00 C ATOM 302 O MET A 23 -6.662 -7.399 -3.166 1.00 0.00 O ATOM 303 CB MET A 23 -4.754 -5.544 -2.444 1.00 0.00 C ATOM 304 CG MET A 23 -3.706 -4.467 -2.213 1.00 0.00 C ATOM 305 SD MET A 23 -2.042 -5.014 -2.642 1.00 0.00 S ATOM 306 CE MET A 23 -1.409 -5.468 -1.029 1.00 0.00 C ATOM 0 H MET A 23 -3.998 -4.590 -5.223 1.00 0.00 H new ATOM 0 HA MET A 23 -4.040 -6.581 -4.186 1.00 0.00 H new ATOM 0 HB2 MET A 23 -5.718 -5.184 -2.085 1.00 0.00 H new ATOM 0 HB3 MET A 23 -4.499 -6.421 -1.849 1.00 0.00 H new ATOM 0 HG2 MET A 23 -3.959 -3.587 -2.804 1.00 0.00 H new ATOM 0 HG3 MET A 23 -3.726 -4.164 -1.166 1.00 0.00 H new ATOM 0 HE1 MET A 23 -0.349 -5.709 -1.109 1.00 0.00 H new ATOM 0 HE2 MET A 23 -1.541 -4.635 -0.339 1.00 0.00 H new ATOM 0 HE3 MET A 23 -1.951 -6.337 -0.657 1.00 0.00 H new ATOM 316 N ASN A 24 -6.696 -6.759 -5.322 1.00 0.00 N ATOM 317 CA ASN A 24 -7.914 -7.495 -5.636 1.00 0.00 C ATOM 318 C ASN A 24 -9.090 -6.976 -4.814 1.00 0.00 C ATOM 319 O ASN A 24 -9.900 -7.754 -4.311 1.00 0.00 O ATOM 320 CB ASN A 24 -7.714 -8.989 -5.374 1.00 0.00 C ATOM 321 CG ASN A 24 -6.947 -9.674 -6.488 1.00 0.00 C ATOM 322 OD1 ASN A 24 -7.429 -9.777 -7.616 1.00 0.00 O ATOM 323 ND2 ASN A 24 -5.746 -10.146 -6.176 1.00 0.00 N ATOM 0 H ASN A 24 -6.299 -6.246 -6.109 1.00 0.00 H new ATOM 0 HA ASN A 24 -8.137 -7.345 -6.692 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -7.179 -9.122 -4.434 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -8.686 -9.468 -5.258 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -5.183 -10.616 -6.885 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -5.386 -10.038 -5.228 1.00 0.00 H new ATOM 330 N ASN A 25 -9.178 -5.657 -4.683 1.00 0.00 N ATOM 331 CA ASN A 25 -10.255 -5.033 -3.923 1.00 0.00 C ATOM 332 C ASN A 25 -10.325 -3.536 -4.206 1.00 0.00 C ATOM 333 O ASN A 25 -9.377 -2.947 -4.726 1.00 0.00 O ATOM 334 CB ASN A 25 -10.053 -5.272 -2.425 1.00 0.00 C ATOM 335 CG ASN A 25 -10.450 -6.674 -2.004 1.00 0.00 C ATOM 336 OD1 ASN A 25 -11.635 -7.002 -1.938 1.00 0.00 O ATOM 337 ND2 ASN A 25 -9.458 -7.508 -1.717 1.00 0.00 N ATOM 0 H ASN A 25 -8.516 -4.999 -5.094 1.00 0.00 H new ATOM 0 HA ASN A 25 -11.196 -5.487 -4.234 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -9.007 -5.102 -2.171 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -10.640 -4.547 -1.862 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -9.663 -8.464 -1.428 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -8.490 -7.192 -1.786 1.00 0.00 H new ATOM 344 N SER A 26 -11.454 -2.926 -3.860 1.00 0.00 N ATOM 345 CA SER A 26 -11.649 -1.497 -4.079 1.00 0.00 C ATOM 346 C SER A 26 -11.142 -0.690 -2.888 1.00 0.00 C ATOM 347 O SER A 26 -11.196 -1.147 -1.747 1.00 0.00 O ATOM 348 CB SER A 26 -13.129 -1.195 -4.321 1.00 0.00 C ATOM 349 OG SER A 26 -13.941 -1.788 -3.323 1.00 0.00 O ATOM 0 H SER A 26 -12.247 -3.399 -3.427 1.00 0.00 H new ATOM 0 HA SER A 26 -11.077 -1.208 -4.961 1.00 0.00 H new ATOM 0 HB2 SER A 26 -13.287 -0.116 -4.329 1.00 0.00 H new ATOM 0 HB3 SER A 26 -13.423 -1.567 -5.302 1.00 0.00 H new ATOM 0 HG SER A 26 -13.633 -1.501 -2.438 1.00 0.00 H new ATOM 355 N TRP A 27 -10.649 0.512 -3.163 1.00 0.00 N ATOM 356 CA TRP A 27 -10.131 1.384 -2.115 1.00 0.00 C ATOM 357 C TRP A 27 -10.304 2.851 -2.493 1.00 0.00 C ATOM 358 O TRP A 27 -10.671 3.172 -3.624 1.00 0.00 O ATOM 359 CB TRP A 27 -8.655 1.081 -1.855 1.00 0.00 C ATOM 360 CG TRP A 27 -8.343 -0.384 -1.835 1.00 0.00 C ATOM 361 CD1 TRP A 27 -8.511 -1.272 -2.860 1.00 0.00 C ATOM 362 CD2 TRP A 27 -7.812 -1.133 -0.736 1.00 0.00 C ATOM 363 NE1 TRP A 27 -8.116 -2.527 -2.464 1.00 0.00 N ATOM 364 CE2 TRP A 27 -7.682 -2.468 -1.166 1.00 0.00 C ATOM 365 CE3 TRP A 27 -7.432 -0.805 0.568 1.00 0.00 C ATOM 366 CZ2 TRP A 27 -7.190 -3.472 -0.337 1.00 0.00 C ATOM 367 CZ3 TRP A 27 -6.943 -1.803 1.390 1.00 0.00 C ATOM 368 CH2 TRP A 27 -6.825 -3.123 0.935 1.00 0.00 C ATOM 0 H TRP A 27 -10.597 0.905 -4.103 1.00 0.00 H new ATOM 0 HA TRP A 27 -10.699 1.194 -1.204 1.00 0.00 H new ATOM 0 HB2 TRP A 27 -8.052 1.563 -2.624 1.00 0.00 H new ATOM 0 HB3 TRP A 27 -8.364 1.520 -0.901 1.00 0.00 H new ATOM 0 HD1 TRP A 27 -8.897 -1.024 -3.838 1.00 0.00 H new ATOM 0 HE1 TRP A 27 -8.142 -3.367 -3.043 1.00 0.00 H new ATOM 0 HE3 TRP A 27 -7.519 0.210 0.927 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 -7.099 -4.490 -0.685 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 -6.647 -1.561 2.400 1.00 0.00 H new ATOM 0 HH2 TRP A 27 -6.438 -3.880 1.601 1.00 0.00 H new ATOM 379 N HIS A 28 -10.036 3.738 -1.540 1.00 0.00 N ATOM 380 CA HIS A 28 -10.161 5.173 -1.775 1.00 0.00 C ATOM 381 C HIS A 28 -8.857 5.750 -2.318 1.00 0.00 C ATOM 382 O HIS A 28 -7.778 5.184 -2.141 1.00 0.00 O ATOM 383 CB HIS A 28 -10.551 5.890 -0.482 1.00 0.00 C ATOM 384 CG HIS A 28 -11.997 5.735 -0.124 1.00 0.00 C ATOM 385 ND1 HIS A 28 -12.422 5.186 1.068 1.00 0.00 N ATOM 386 CD2 HIS A 28 -13.118 6.063 -0.807 1.00 0.00 C ATOM 387 CE1 HIS A 28 -13.743 5.182 1.100 1.00 0.00 C ATOM 388 NE2 HIS A 28 -14.190 5.709 -0.025 1.00 0.00 N ATOM 0 H HIS A 28 -9.731 3.489 -0.599 1.00 0.00 H new ATOM 0 HA HIS A 28 -10.943 5.328 -2.518 1.00 0.00 H new ATOM 0 HB2 HIS A 28 -9.940 5.507 0.335 1.00 0.00 H new ATOM 0 HB3 HIS A 28 -10.321 6.951 -0.581 1.00 0.00 H new ATOM 0 HD2 HIS A 28 -13.162 6.519 -1.785 1.00 0.00 H new ATOM 0 HE1 HIS A 28 -14.354 4.810 1.910 1.00 0.00 H new ATOM 0 HE2 HIS A 28 -15.172 5.833 -0.273 1.00 0.00 H new ATOM 396 N PRO A 29 -8.957 6.903 -2.995 1.00 0.00 N ATOM 397 CA PRO A 29 -7.796 7.582 -3.578 1.00 0.00 C ATOM 398 C PRO A 29 -6.876 8.173 -2.515 1.00 0.00 C ATOM 399 O PRO A 29 -5.839 8.754 -2.833 1.00 0.00 O ATOM 400 CB PRO A 29 -8.422 8.695 -4.422 1.00 0.00 C ATOM 401 CG PRO A 29 -9.743 8.957 -3.784 1.00 0.00 C ATOM 402 CD PRO A 29 -10.211 7.634 -3.245 1.00 0.00 C ATOM 0 HA PRO A 29 -7.168 6.898 -4.149 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -7.799 9.589 -4.423 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -8.538 8.386 -5.461 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -9.652 9.694 -2.986 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -10.453 9.357 -4.507 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -10.794 7.756 -2.332 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -10.845 7.111 -3.960 1.00 0.00 H new ATOM 410 N GLU A 30 -7.263 8.020 -1.253 1.00 0.00 N ATOM 411 CA GLU A 30 -6.472 8.539 -0.144 1.00 0.00 C ATOM 412 C GLU A 30 -6.128 7.430 0.846 1.00 0.00 C ATOM 413 O GLU A 30 -5.121 7.502 1.552 1.00 0.00 O ATOM 414 CB GLU A 30 -7.230 9.659 0.572 1.00 0.00 C ATOM 415 CG GLU A 30 -8.414 9.168 1.388 1.00 0.00 C ATOM 416 CD GLU A 30 -9.335 10.294 1.816 1.00 0.00 C ATOM 417 OE1 GLU A 30 -9.079 10.897 2.880 1.00 0.00 O ATOM 418 OE2 GLU A 30 -10.312 10.571 1.090 1.00 0.00 O ATOM 0 H GLU A 30 -8.119 7.541 -0.973 1.00 0.00 H new ATOM 0 HA GLU A 30 -5.544 8.940 -0.551 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -6.541 10.190 1.230 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -7.582 10.378 -0.167 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -8.980 8.444 0.801 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -8.049 8.646 2.273 1.00 0.00 H new ATOM 425 N CYS A 31 -6.971 6.404 0.892 1.00 0.00 N ATOM 426 CA CYS A 31 -6.759 5.279 1.795 1.00 0.00 C ATOM 427 C CYS A 31 -5.579 4.428 1.335 1.00 0.00 C ATOM 428 O CYS A 31 -4.590 4.279 2.053 1.00 0.00 O ATOM 429 CB CYS A 31 -8.021 4.419 1.877 1.00 0.00 C ATOM 430 SG CYS A 31 -9.305 5.086 2.984 1.00 0.00 S ATOM 0 H CYS A 31 -7.808 6.328 0.314 1.00 0.00 H new ATOM 0 HA CYS A 31 -6.534 5.677 2.785 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -8.440 4.311 0.876 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -7.746 3.421 2.217 1.00 0.00 H new ATOM 435 N PHE A 32 -5.691 3.872 0.133 1.00 0.00 N ATOM 436 CA PHE A 32 -4.634 3.035 -0.423 1.00 0.00 C ATOM 437 C PHE A 32 -3.284 3.742 -0.349 1.00 0.00 C ATOM 438 O PHE A 32 -2.956 4.568 -1.200 1.00 0.00 O ATOM 439 CB PHE A 32 -4.953 2.672 -1.875 1.00 0.00 C ATOM 440 CG PHE A 32 -4.164 1.500 -2.387 1.00 0.00 C ATOM 441 CD1 PHE A 32 -4.246 0.267 -1.761 1.00 0.00 C ATOM 442 CD2 PHE A 32 -3.342 1.632 -3.494 1.00 0.00 C ATOM 443 CE1 PHE A 32 -3.520 -0.812 -2.229 1.00 0.00 C ATOM 444 CE2 PHE A 32 -2.615 0.557 -3.968 1.00 0.00 C ATOM 445 CZ PHE A 32 -2.705 -0.668 -3.335 1.00 0.00 C ATOM 0 H PHE A 32 -6.503 3.986 -0.474 1.00 0.00 H new ATOM 0 HA PHE A 32 -4.579 2.122 0.169 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -6.017 2.449 -1.960 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -4.757 3.537 -2.509 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -4.884 0.148 -0.898 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -3.268 2.587 -3.993 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -3.590 -1.767 -1.730 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -1.977 0.674 -4.832 1.00 0.00 H new ATOM 0 HZ PHE A 32 -2.139 -1.511 -3.704 1.00 0.00 H new ATOM 455 N ARG A 33 -2.505 3.412 0.677 1.00 0.00 N ATOM 456 CA ARG A 33 -1.192 4.016 0.864 1.00 0.00 C ATOM 457 C ARG A 33 -0.128 2.946 1.090 1.00 0.00 C ATOM 458 O ARG A 33 -0.445 1.772 1.283 1.00 0.00 O ATOM 459 CB ARG A 33 -1.216 4.984 2.049 1.00 0.00 C ATOM 460 CG ARG A 33 -2.032 6.240 1.793 1.00 0.00 C ATOM 461 CD ARG A 33 -1.714 7.327 2.808 1.00 0.00 C ATOM 462 NE ARG A 33 -1.900 8.665 2.253 1.00 0.00 N ATOM 463 CZ ARG A 33 -2.983 9.405 2.465 1.00 0.00 C ATOM 464 NH1 ARG A 33 -3.971 8.940 3.216 1.00 0.00 N ATOM 465 NH2 ARG A 33 -3.078 10.614 1.925 1.00 0.00 N ATOM 0 H ARG A 33 -2.761 2.730 1.391 1.00 0.00 H new ATOM 0 HA ARG A 33 -0.942 4.567 -0.042 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -1.621 4.469 2.920 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -0.193 5.269 2.295 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -1.829 6.609 0.788 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -3.094 6.000 1.836 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -2.354 7.205 3.682 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -0.684 7.215 3.148 1.00 0.00 H new ATOM 0 HE ARG A 33 -1.158 9.053 1.671 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -3.901 8.012 3.633 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -4.801 9.510 3.377 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -2.319 10.975 1.347 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -3.910 11.182 2.088 1.00 0.00 H new ATOM 479 N CYS A 34 1.135 3.359 1.063 1.00 0.00 N ATOM 480 CA CYS A 34 2.246 2.437 1.263 1.00 0.00 C ATOM 481 C CYS A 34 2.230 1.864 2.677 1.00 0.00 C ATOM 482 O CYS A 34 1.655 2.456 3.591 1.00 0.00 O ATOM 483 CB CYS A 34 3.577 3.145 1.002 1.00 0.00 C ATOM 484 SG CYS A 34 5.008 2.023 0.894 1.00 0.00 S ATOM 0 H CYS A 34 1.414 4.327 0.904 1.00 0.00 H new ATOM 0 HA CYS A 34 2.135 1.615 0.556 1.00 0.00 H new ATOM 0 HB2 CYS A 34 3.500 3.709 0.072 1.00 0.00 H new ATOM 0 HB3 CYS A 34 3.754 3.867 1.799 1.00 0.00 H new ATOM 489 N ASP A 35 2.864 0.710 2.849 1.00 0.00 N ATOM 490 CA ASP A 35 2.925 0.057 4.152 1.00 0.00 C ATOM 491 C ASP A 35 4.264 0.323 4.831 1.00 0.00 C ATOM 492 O ASP A 35 4.605 -0.316 5.828 1.00 0.00 O ATOM 493 CB ASP A 35 2.704 -1.449 4.002 1.00 0.00 C ATOM 494 CG ASP A 35 2.049 -2.062 5.224 1.00 0.00 C ATOM 495 OD1 ASP A 35 0.951 -1.602 5.602 1.00 0.00 O ATOM 496 OD2 ASP A 35 2.632 -3.003 5.801 1.00 0.00 O ATOM 0 H ASP A 35 3.343 0.207 2.102 1.00 0.00 H new ATOM 0 HA ASP A 35 2.134 0.472 4.776 1.00 0.00 H new ATOM 0 HB2 ASP A 35 2.082 -1.637 3.127 1.00 0.00 H new ATOM 0 HB3 ASP A 35 3.662 -1.938 3.823 1.00 0.00 H new ATOM 501 N LEU A 36 5.021 1.269 4.286 1.00 0.00 N ATOM 502 CA LEU A 36 6.325 1.619 4.839 1.00 0.00 C ATOM 503 C LEU A 36 6.457 3.130 5.007 1.00 0.00 C ATOM 504 O LEU A 36 7.078 3.607 5.957 1.00 0.00 O ATOM 505 CB LEU A 36 7.441 1.096 3.934 1.00 0.00 C ATOM 506 CG LEU A 36 7.607 -0.423 3.883 1.00 0.00 C ATOM 507 CD1 LEU A 36 8.204 -0.851 2.550 1.00 0.00 C ATOM 508 CD2 LEU A 36 8.475 -0.904 5.036 1.00 0.00 C ATOM 0 H LEU A 36 4.754 1.807 3.462 1.00 0.00 H new ATOM 0 HA LEU A 36 6.413 1.153 5.821 1.00 0.00 H new ATOM 0 HB2 LEU A 36 7.259 1.456 2.921 1.00 0.00 H new ATOM 0 HB3 LEU A 36 8.383 1.534 4.263 1.00 0.00 H new ATOM 0 HG LEU A 36 6.622 -0.880 3.980 1.00 0.00 H new ATOM 0 HD11 LEU A 36 8.315 -1.935 2.532 1.00 0.00 H new ATOM 0 HD12 LEU A 36 7.545 -0.540 1.740 1.00 0.00 H new ATOM 0 HD13 LEU A 36 9.181 -0.384 2.422 1.00 0.00 H new ATOM 0 HD21 LEU A 36 8.582 -1.987 4.983 1.00 0.00 H new ATOM 0 HD22 LEU A 36 9.458 -0.439 4.970 1.00 0.00 H new ATOM 0 HD23 LEU A 36 8.007 -0.631 5.982 1.00 0.00 H new ATOM 520 N CYS A 37 5.867 3.877 4.080 1.00 0.00 N ATOM 521 CA CYS A 37 5.917 5.333 4.125 1.00 0.00 C ATOM 522 C CYS A 37 4.512 5.927 4.081 1.00 0.00 C ATOM 523 O CYS A 37 4.330 7.128 4.277 1.00 0.00 O ATOM 524 CB CYS A 37 6.748 5.873 2.959 1.00 0.00 C ATOM 525 SG CYS A 37 6.013 5.568 1.320 1.00 0.00 S ATOM 0 H CYS A 37 5.348 3.497 3.288 1.00 0.00 H new ATOM 0 HA CYS A 37 6.387 5.626 5.063 1.00 0.00 H new ATOM 0 HB2 CYS A 37 6.885 6.946 3.090 1.00 0.00 H new ATOM 0 HB3 CYS A 37 7.739 5.419 2.992 1.00 0.00 H new ATOM 530 N GLN A 38 3.524 5.076 3.823 1.00 0.00 N ATOM 531 CA GLN A 38 2.136 5.517 3.753 1.00 0.00 C ATOM 532 C GLN A 38 1.952 6.564 2.659 1.00 0.00 C ATOM 533 O GLN A 38 1.456 7.661 2.914 1.00 0.00 O ATOM 534 CB GLN A 38 1.691 6.087 5.101 1.00 0.00 C ATOM 535 CG GLN A 38 1.935 5.146 6.269 1.00 0.00 C ATOM 536 CD GLN A 38 0.751 4.241 6.546 1.00 0.00 C ATOM 537 OE1 GLN A 38 -0.345 4.710 6.854 1.00 0.00 O ATOM 538 NE2 GLN A 38 0.966 2.935 6.438 1.00 0.00 N ATOM 0 H GLN A 38 3.659 4.078 3.659 1.00 0.00 H new ATOM 0 HA GLN A 38 1.518 4.652 3.511 1.00 0.00 H new ATOM 0 HB2 GLN A 38 2.219 7.023 5.283 1.00 0.00 H new ATOM 0 HB3 GLN A 38 0.628 6.325 5.053 1.00 0.00 H new ATOM 0 HG2 GLN A 38 2.814 4.535 6.061 1.00 0.00 H new ATOM 0 HG3 GLN A 38 2.157 5.731 7.162 1.00 0.00 H new ATOM 0 HE21 GLN A 38 1.891 2.590 6.180 1.00 0.00 H new ATOM 0 HE22 GLN A 38 0.207 2.277 6.613 1.00 0.00 H new ATOM 547 N GLU A 39 2.355 6.217 1.441 1.00 0.00 N ATOM 548 CA GLU A 39 2.236 7.129 0.309 1.00 0.00 C ATOM 549 C GLU A 39 1.114 6.689 -0.628 1.00 0.00 C ATOM 550 O GLU A 39 1.057 5.532 -1.046 1.00 0.00 O ATOM 551 CB GLU A 39 3.557 7.200 -0.459 1.00 0.00 C ATOM 552 CG GLU A 39 3.447 7.915 -1.796 1.00 0.00 C ATOM 553 CD GLU A 39 4.741 8.592 -2.204 1.00 0.00 C ATOM 554 OE1 GLU A 39 5.088 9.626 -1.595 1.00 0.00 O ATOM 555 OE2 GLU A 39 5.406 8.088 -3.132 1.00 0.00 O ATOM 0 H GLU A 39 2.766 5.312 1.213 1.00 0.00 H new ATOM 0 HA GLU A 39 1.996 8.119 0.697 1.00 0.00 H new ATOM 0 HB2 GLU A 39 4.298 7.710 0.156 1.00 0.00 H new ATOM 0 HB3 GLU A 39 3.925 6.188 -0.627 1.00 0.00 H new ATOM 0 HG2 GLU A 39 3.159 7.198 -2.565 1.00 0.00 H new ATOM 0 HG3 GLU A 39 2.653 8.660 -1.741 1.00 0.00 H new ATOM 562 N VAL A 40 0.222 7.620 -0.952 1.00 0.00 N ATOM 563 CA VAL A 40 -0.898 7.330 -1.839 1.00 0.00 C ATOM 564 C VAL A 40 -0.444 6.526 -3.053 1.00 0.00 C ATOM 565 O VAL A 40 0.302 7.024 -3.897 1.00 0.00 O ATOM 566 CB VAL A 40 -1.582 8.623 -2.321 1.00 0.00 C ATOM 567 CG1 VAL A 40 -2.745 8.299 -3.246 1.00 0.00 C ATOM 568 CG2 VAL A 40 -2.050 9.452 -1.133 1.00 0.00 C ATOM 0 H VAL A 40 0.254 8.582 -0.613 1.00 0.00 H new ATOM 0 HA VAL A 40 -1.613 6.742 -1.264 1.00 0.00 H new ATOM 0 HB VAL A 40 -0.856 9.211 -2.882 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -3.216 9.225 -3.576 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -2.378 7.749 -4.113 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -3.475 7.691 -2.713 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -2.531 10.362 -1.491 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -2.761 8.874 -0.543 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -1.193 9.715 -0.513 1.00 0.00 H new ATOM 578 N LEU A 41 -0.899 5.281 -3.134 1.00 0.00 N ATOM 579 CA LEU A 41 -0.541 4.406 -4.245 1.00 0.00 C ATOM 580 C LEU A 41 -1.693 4.287 -5.238 1.00 0.00 C ATOM 581 O LEU A 41 -1.961 3.208 -5.766 1.00 0.00 O ATOM 582 CB LEU A 41 -0.155 3.020 -3.726 1.00 0.00 C ATOM 583 CG LEU A 41 0.577 2.987 -2.383 1.00 0.00 C ATOM 584 CD1 LEU A 41 0.514 1.594 -1.776 1.00 0.00 C ATOM 585 CD2 LEU A 41 2.023 3.431 -2.553 1.00 0.00 C ATOM 0 H LEU A 41 -1.517 4.854 -2.444 1.00 0.00 H new ATOM 0 HA LEU A 41 0.314 4.845 -4.759 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -1.062 2.421 -3.638 1.00 0.00 H new ATOM 0 HB3 LEU A 41 0.475 2.537 -4.473 1.00 0.00 H new ATOM 0 HG LEU A 41 0.082 3.681 -1.703 1.00 0.00 H new ATOM 0 HD11 LEU A 41 1.040 1.589 -0.821 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -0.527 1.313 -1.618 1.00 0.00 H new ATOM 0 HD13 LEU A 41 0.984 0.881 -2.453 1.00 0.00 H new ATOM 0 HD21 LEU A 41 2.529 3.401 -1.588 1.00 0.00 H new ATOM 0 HD22 LEU A 41 2.530 2.762 -3.249 1.00 0.00 H new ATOM 0 HD23 LEU A 41 2.048 4.448 -2.944 1.00 0.00 H new ATOM 597 N ALA A 42 -2.370 5.403 -5.488 1.00 0.00 N ATOM 598 CA ALA A 42 -3.490 5.425 -6.420 1.00 0.00 C ATOM 599 C ALA A 42 -3.010 5.646 -7.850 1.00 0.00 C ATOM 600 O ALA A 42 -3.267 4.829 -8.735 1.00 0.00 O ATOM 601 CB ALA A 42 -4.486 6.504 -6.023 1.00 0.00 C ATOM 0 H ALA A 42 -2.162 6.304 -5.058 1.00 0.00 H new ATOM 0 HA ALA A 42 -3.985 4.455 -6.377 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -5.317 6.509 -6.728 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -4.862 6.301 -5.020 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -3.994 7.476 -6.036 1.00 0.00 H new ATOM 607 N ASP A 43 -2.312 6.754 -8.070 1.00 0.00 N ATOM 608 CA ASP A 43 -1.796 7.083 -9.394 1.00 0.00 C ATOM 609 C ASP A 43 -0.402 6.495 -9.595 1.00 0.00 C ATOM 610 O ASP A 43 -0.132 5.845 -10.605 1.00 0.00 O ATOM 611 CB ASP A 43 -1.756 8.599 -9.588 1.00 0.00 C ATOM 612 CG ASP A 43 -1.922 9.002 -11.040 1.00 0.00 C ATOM 613 OD1 ASP A 43 -0.908 9.024 -11.768 1.00 0.00 O ATOM 614 OD2 ASP A 43 -3.065 9.296 -11.448 1.00 0.00 O ATOM 0 H ASP A 43 -2.090 7.440 -7.349 1.00 0.00 H new ATOM 0 HA ASP A 43 -2.466 6.648 -10.136 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -2.545 9.059 -8.994 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -0.808 8.985 -9.213 1.00 0.00 H new ATOM 619 N ILE A 44 0.478 6.730 -8.627 1.00 0.00 N ATOM 620 CA ILE A 44 1.843 6.224 -8.698 1.00 0.00 C ATOM 621 C ILE A 44 1.861 4.702 -8.789 1.00 0.00 C ATOM 622 O ILE A 44 2.788 4.113 -9.345 1.00 0.00 O ATOM 623 CB ILE A 44 2.671 6.663 -7.476 1.00 0.00 C ATOM 624 CG1 ILE A 44 2.093 6.055 -6.196 1.00 0.00 C ATOM 625 CG2 ILE A 44 2.706 8.181 -7.378 1.00 0.00 C ATOM 626 CD1 ILE A 44 3.078 6.014 -5.048 1.00 0.00 C ATOM 0 H ILE A 44 0.270 7.267 -7.785 1.00 0.00 H new ATOM 0 HA ILE A 44 2.289 6.645 -9.599 1.00 0.00 H new ATOM 0 HB ILE A 44 3.692 6.302 -7.599 1.00 0.00 H new ATOM 0 HG12 ILE A 44 1.218 6.630 -5.893 1.00 0.00 H new ATOM 0 HG13 ILE A 44 1.751 5.042 -6.407 1.00 0.00 H new ATOM 0 HG21 ILE A 44 3.295 8.476 -6.509 1.00 0.00 H new ATOM 0 HG22 ILE A 44 3.158 8.594 -8.280 1.00 0.00 H new ATOM 0 HG23 ILE A 44 1.690 8.562 -7.274 1.00 0.00 H new ATOM 0 HD11 ILE A 44 2.600 5.571 -4.174 1.00 0.00 H new ATOM 0 HD12 ILE A 44 3.943 5.414 -5.332 1.00 0.00 H new ATOM 0 HD13 ILE A 44 3.402 7.027 -4.810 1.00 0.00 H new ATOM 638 N GLY A 45 0.829 4.069 -8.240 1.00 0.00 N ATOM 639 CA GLY A 45 0.744 2.620 -8.272 1.00 0.00 C ATOM 640 C GLY A 45 1.378 1.976 -7.055 1.00 0.00 C ATOM 641 O GLY A 45 2.077 2.637 -6.286 1.00 0.00 O ATOM 0 H GLY A 45 0.050 4.534 -7.773 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -0.303 2.322 -8.334 1.00 0.00 H new ATOM 0 HA3 GLY A 45 1.235 2.250 -9.172 1.00 0.00 H new ATOM 645 N PHE A 46 1.134 0.682 -6.877 1.00 0.00 N ATOM 646 CA PHE A 46 1.684 -0.052 -5.743 1.00 0.00 C ATOM 647 C PHE A 46 2.445 -1.288 -6.213 1.00 0.00 C ATOM 648 O PHE A 46 2.395 -1.653 -7.388 1.00 0.00 O ATOM 649 CB PHE A 46 0.565 -0.461 -4.783 1.00 0.00 C ATOM 650 CG PHE A 46 -0.360 -1.501 -5.349 1.00 0.00 C ATOM 651 CD1 PHE A 46 -1.303 -1.162 -6.305 1.00 0.00 C ATOM 652 CD2 PHE A 46 -0.286 -2.818 -4.924 1.00 0.00 C ATOM 653 CE1 PHE A 46 -2.156 -2.116 -6.827 1.00 0.00 C ATOM 654 CE2 PHE A 46 -1.135 -3.777 -5.443 1.00 0.00 C ATOM 655 CZ PHE A 46 -2.072 -3.425 -6.395 1.00 0.00 C ATOM 0 H PHE A 46 0.559 0.120 -7.504 1.00 0.00 H new ATOM 0 HA PHE A 46 2.380 0.604 -5.220 1.00 0.00 H new ATOM 0 HB2 PHE A 46 1.008 -0.842 -3.863 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -0.015 0.423 -4.516 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -1.373 -0.140 -6.647 1.00 0.00 H new ATOM 0 HD2 PHE A 46 0.444 -3.098 -4.179 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -2.887 -1.838 -7.572 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -1.066 -4.800 -5.105 1.00 0.00 H new ATOM 0 HZ PHE A 46 -2.738 -4.172 -6.801 1.00 0.00 H new ATOM 665 N VAL A 47 3.150 -1.929 -5.286 1.00 0.00 N ATOM 666 CA VAL A 47 3.921 -3.125 -5.604 1.00 0.00 C ATOM 667 C VAL A 47 3.715 -4.208 -4.551 1.00 0.00 C ATOM 668 O VAL A 47 4.238 -4.117 -3.440 1.00 0.00 O ATOM 669 CB VAL A 47 5.425 -2.810 -5.712 1.00 0.00 C ATOM 670 CG1 VAL A 47 6.189 -4.021 -6.227 1.00 0.00 C ATOM 671 CG2 VAL A 47 5.653 -1.604 -6.611 1.00 0.00 C ATOM 0 H VAL A 47 3.203 -1.640 -4.309 1.00 0.00 H new ATOM 0 HA VAL A 47 3.562 -3.486 -6.568 1.00 0.00 H new ATOM 0 HB VAL A 47 5.801 -2.570 -4.717 1.00 0.00 H new ATOM 0 HG11 VAL A 47 7.250 -3.779 -6.297 1.00 0.00 H new ATOM 0 HG12 VAL A 47 6.051 -4.857 -5.541 1.00 0.00 H new ATOM 0 HG13 VAL A 47 5.814 -4.296 -7.213 1.00 0.00 H new ATOM 0 HG21 VAL A 47 6.721 -1.395 -6.676 1.00 0.00 H new ATOM 0 HG22 VAL A 47 5.263 -1.814 -7.607 1.00 0.00 H new ATOM 0 HG23 VAL A 47 5.139 -0.738 -6.195 1.00 0.00 H new ATOM 681 N LYS A 48 2.949 -5.233 -4.907 1.00 0.00 N ATOM 682 CA LYS A 48 2.674 -6.337 -3.994 1.00 0.00 C ATOM 683 C LYS A 48 3.962 -6.858 -3.366 1.00 0.00 C ATOM 684 O LYS A 48 4.991 -6.961 -4.033 1.00 0.00 O ATOM 685 CB LYS A 48 1.959 -7.470 -4.733 1.00 0.00 C ATOM 686 CG LYS A 48 0.445 -7.389 -4.653 1.00 0.00 C ATOM 687 CD LYS A 48 -0.059 -7.727 -3.260 1.00 0.00 C ATOM 688 CE LYS A 48 -0.040 -9.227 -3.009 1.00 0.00 C ATOM 689 NZ LYS A 48 1.280 -9.687 -2.496 1.00 0.00 N ATOM 0 H LYS A 48 2.507 -5.323 -5.822 1.00 0.00 H new ATOM 0 HA LYS A 48 2.028 -5.966 -3.198 1.00 0.00 H new ATOM 0 HB2 LYS A 48 2.260 -7.456 -5.780 1.00 0.00 H new ATOM 0 HB3 LYS A 48 2.286 -8.424 -4.320 1.00 0.00 H new ATOM 0 HG2 LYS A 48 0.119 -6.385 -4.925 1.00 0.00 H new ATOM 0 HG3 LYS A 48 0.004 -8.075 -5.377 1.00 0.00 H new ATOM 0 HD2 LYS A 48 0.560 -7.225 -2.516 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -1.074 -7.349 -3.138 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -0.819 -9.485 -2.291 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -0.273 -9.753 -3.935 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 1.810 -10.147 -3.264 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 1.820 -8.870 -2.144 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 1.134 -10.365 -1.721 1.00 0.00 H new ATOM 703 N ASN A 49 3.898 -7.185 -2.080 1.00 0.00 N ATOM 704 CA ASN A 49 5.060 -7.697 -1.362 1.00 0.00 C ATOM 705 C ASN A 49 4.663 -8.215 0.017 1.00 0.00 C ATOM 706 O ASN A 49 4.246 -7.447 0.884 1.00 0.00 O ATOM 707 CB ASN A 49 6.121 -6.603 -1.222 1.00 0.00 C ATOM 708 CG ASN A 49 7.285 -7.036 -0.352 1.00 0.00 C ATOM 709 OD1 ASN A 49 7.153 -7.934 0.480 1.00 0.00 O ATOM 710 ND2 ASN A 49 8.434 -6.397 -0.541 1.00 0.00 N ATOM 0 H ASN A 49 3.054 -7.105 -1.513 1.00 0.00 H new ATOM 0 HA ASN A 49 5.475 -8.526 -1.936 1.00 0.00 H new ATOM 0 HB2 ASN A 49 6.491 -6.331 -2.210 1.00 0.00 H new ATOM 0 HB3 ASN A 49 5.664 -5.710 -0.795 1.00 0.00 H new ATOM 0 HD21 ASN A 49 9.253 -6.644 0.015 1.00 0.00 H new ATOM 0 HD22 ASN A 49 8.498 -5.659 -1.242 1.00 0.00 H new ATOM 717 N ALA A 50 4.795 -9.523 0.212 1.00 0.00 N ATOM 718 CA ALA A 50 4.453 -10.144 1.486 1.00 0.00 C ATOM 719 C ALA A 50 3.044 -9.758 1.924 1.00 0.00 C ATOM 720 O ALA A 50 2.801 -9.491 3.100 1.00 0.00 O ATOM 721 CB ALA A 50 5.465 -9.754 2.552 1.00 0.00 C ATOM 0 H ALA A 50 5.136 -10.173 -0.496 1.00 0.00 H new ATOM 0 HA ALA A 50 4.481 -11.226 1.354 1.00 0.00 H new ATOM 0 HB1 ALA A 50 5.197 -10.225 3.498 1.00 0.00 H new ATOM 0 HB2 ALA A 50 6.458 -10.086 2.250 1.00 0.00 H new ATOM 0 HB3 ALA A 50 5.466 -8.671 2.674 1.00 0.00 H new ATOM 727 N GLY A 51 2.119 -9.729 0.969 1.00 0.00 N ATOM 728 CA GLY A 51 0.747 -9.372 1.277 1.00 0.00 C ATOM 729 C GLY A 51 0.611 -7.937 1.745 1.00 0.00 C ATOM 730 O GLY A 51 -0.295 -7.610 2.512 1.00 0.00 O ATOM 0 H GLY A 51 2.296 -9.946 -0.012 1.00 0.00 H new ATOM 0 HA2 GLY A 51 0.129 -9.522 0.392 1.00 0.00 H new ATOM 0 HA3 GLY A 51 0.366 -10.040 2.049 1.00 0.00 H new ATOM 734 N ARG A 52 1.514 -7.078 1.283 1.00 0.00 N ATOM 735 CA ARG A 52 1.492 -5.670 1.661 1.00 0.00 C ATOM 736 C ARG A 52 1.652 -4.776 0.435 1.00 0.00 C ATOM 737 O ARG A 52 2.352 -5.127 -0.516 1.00 0.00 O ATOM 738 CB ARG A 52 2.603 -5.374 2.670 1.00 0.00 C ATOM 739 CG ARG A 52 2.492 -6.181 3.953 1.00 0.00 C ATOM 740 CD ARG A 52 3.755 -6.071 4.792 1.00 0.00 C ATOM 741 NE ARG A 52 3.848 -7.137 5.785 1.00 0.00 N ATOM 742 CZ ARG A 52 4.649 -7.088 6.844 1.00 0.00 C ATOM 743 NH1 ARG A 52 5.423 -6.030 7.045 1.00 0.00 N ATOM 744 NH2 ARG A 52 4.677 -8.099 7.703 1.00 0.00 N ATOM 0 H ARG A 52 2.270 -7.332 0.647 1.00 0.00 H new ATOM 0 HA ARG A 52 0.527 -5.458 2.121 1.00 0.00 H new ATOM 0 HB2 ARG A 52 3.568 -5.577 2.205 1.00 0.00 H new ATOM 0 HB3 ARG A 52 2.585 -4.312 2.916 1.00 0.00 H new ATOM 0 HG2 ARG A 52 1.638 -5.830 4.532 1.00 0.00 H new ATOM 0 HG3 ARG A 52 2.305 -7.227 3.711 1.00 0.00 H new ATOM 0 HD2 ARG A 52 4.628 -6.106 4.140 1.00 0.00 H new ATOM 0 HD3 ARG A 52 3.772 -5.104 5.295 1.00 0.00 H new ATOM 0 HE ARG A 52 3.266 -7.965 5.659 1.00 0.00 H new ATOM 0 HH11 ARG A 52 5.404 -5.252 6.386 1.00 0.00 H new ATOM 0 HH12 ARG A 52 6.037 -5.995 7.859 1.00 0.00 H new ATOM 0 HH21 ARG A 52 4.083 -8.914 7.551 1.00 0.00 H new ATOM 0 HH22 ARG A 52 5.292 -8.061 8.516 1.00 0.00 H new ATOM 758 N HIS A 53 0.999 -3.619 0.463 1.00 0.00 N ATOM 759 CA HIS A 53 1.068 -2.673 -0.645 1.00 0.00 C ATOM 760 C HIS A 53 2.165 -1.640 -0.410 1.00 0.00 C ATOM 761 O HIS A 53 2.046 -0.781 0.465 1.00 0.00 O ATOM 762 CB HIS A 53 -0.278 -1.973 -0.831 1.00 0.00 C ATOM 763 CG HIS A 53 -0.817 -1.368 0.428 1.00 0.00 C ATOM 764 ND1 HIS A 53 -0.098 -1.310 1.603 1.00 0.00 N ATOM 765 CD2 HIS A 53 -2.013 -0.791 0.692 1.00 0.00 C ATOM 766 CE1 HIS A 53 -0.828 -0.725 2.536 1.00 0.00 C ATOM 767 NE2 HIS A 53 -1.995 -0.400 2.008 1.00 0.00 N ATOM 0 H HIS A 53 0.415 -3.314 1.242 1.00 0.00 H new ATOM 0 HA HIS A 53 1.307 -3.230 -1.551 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -0.171 -1.191 -1.583 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -1.001 -2.691 -1.218 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -2.829 -0.662 -0.003 1.00 0.00 H new ATOM 0 HE1 HIS A 53 -0.523 -0.543 3.556 1.00 0.00 H new ATOM 0 HE2 HIS A 53 -2.758 0.066 2.499 1.00 0.00 H new ATOM 776 N LEU A 54 3.233 -1.728 -1.195 1.00 0.00 N ATOM 777 CA LEU A 54 4.352 -0.800 -1.072 1.00 0.00 C ATOM 778 C LEU A 54 4.523 0.019 -2.348 1.00 0.00 C ATOM 779 O LEU A 54 3.974 -0.322 -3.396 1.00 0.00 O ATOM 780 CB LEU A 54 5.641 -1.564 -0.766 1.00 0.00 C ATOM 781 CG LEU A 54 5.482 -2.856 0.036 1.00 0.00 C ATOM 782 CD1 LEU A 54 6.755 -3.685 -0.029 1.00 0.00 C ATOM 783 CD2 LEU A 54 5.118 -2.546 1.480 1.00 0.00 C ATOM 0 H LEU A 54 3.348 -2.433 -1.924 1.00 0.00 H new ATOM 0 HA LEU A 54 4.138 -0.117 -0.250 1.00 0.00 H new ATOM 0 HB2 LEU A 54 6.130 -1.804 -1.710 1.00 0.00 H new ATOM 0 HB3 LEU A 54 6.311 -0.901 -0.219 1.00 0.00 H new ATOM 0 HG LEU A 54 4.672 -3.437 -0.405 1.00 0.00 H new ATOM 0 HD11 LEU A 54 6.623 -4.601 0.548 1.00 0.00 H new ATOM 0 HD12 LEU A 54 6.972 -3.938 -1.067 1.00 0.00 H new ATOM 0 HD13 LEU A 54 7.584 -3.112 0.386 1.00 0.00 H new ATOM 0 HD21 LEU A 54 5.009 -3.477 2.036 1.00 0.00 H new ATOM 0 HD22 LEU A 54 5.906 -1.944 1.933 1.00 0.00 H new ATOM 0 HD23 LEU A 54 4.178 -1.995 1.508 1.00 0.00 H new ATOM 795 N CYS A 55 5.290 1.100 -2.252 1.00 0.00 N ATOM 796 CA CYS A 55 5.537 1.967 -3.397 1.00 0.00 C ATOM 797 C CYS A 55 6.911 1.694 -4.001 1.00 0.00 C ATOM 798 O CYS A 55 7.842 1.302 -3.298 1.00 0.00 O ATOM 799 CB CYS A 55 5.432 3.436 -2.983 1.00 0.00 C ATOM 800 SG CYS A 55 6.771 3.995 -1.881 1.00 0.00 S ATOM 0 H CYS A 55 5.751 1.396 -1.392 1.00 0.00 H new ATOM 0 HA CYS A 55 4.780 1.754 -4.152 1.00 0.00 H new ATOM 0 HB2 CYS A 55 5.431 4.056 -3.880 1.00 0.00 H new ATOM 0 HB3 CYS A 55 4.476 3.595 -2.485 1.00 0.00 H new ATOM 805 N ARG A 56 7.030 1.905 -5.308 1.00 0.00 N ATOM 806 CA ARG A 56 8.290 1.681 -6.006 1.00 0.00 C ATOM 807 C ARG A 56 9.474 2.105 -5.142 1.00 0.00 C ATOM 808 O ARG A 56 10.423 1.349 -4.933 1.00 0.00 O ATOM 809 CB ARG A 56 8.308 2.451 -7.328 1.00 0.00 C ATOM 810 CG ARG A 56 7.958 1.596 -8.536 1.00 0.00 C ATOM 811 CD ARG A 56 8.404 2.254 -9.832 1.00 0.00 C ATOM 812 NE ARG A 56 8.092 1.433 -10.998 1.00 0.00 N ATOM 813 CZ ARG A 56 8.756 0.327 -11.317 1.00 0.00 C ATOM 814 NH1 ARG A 56 9.763 -0.087 -10.560 1.00 0.00 N ATOM 815 NH2 ARG A 56 8.413 -0.367 -12.394 1.00 0.00 N ATOM 0 H ARG A 56 6.269 2.231 -5.904 1.00 0.00 H new ATOM 0 HA ARG A 56 8.377 0.614 -6.213 1.00 0.00 H new ATOM 0 HB2 ARG A 56 7.604 3.281 -7.265 1.00 0.00 H new ATOM 0 HB3 ARG A 56 9.298 2.883 -7.474 1.00 0.00 H new ATOM 0 HG2 ARG A 56 8.432 0.619 -8.441 1.00 0.00 H new ATOM 0 HG3 ARG A 56 6.882 1.427 -8.564 1.00 0.00 H new ATOM 0 HD2 ARG A 56 7.918 3.225 -9.932 1.00 0.00 H new ATOM 0 HD3 ARG A 56 9.478 2.437 -9.795 1.00 0.00 H new ATOM 0 HE ARG A 56 7.322 1.724 -11.601 1.00 0.00 H new ATOM 0 HH11 ARG A 56 10.029 0.444 -9.731 1.00 0.00 H new ATOM 0 HH12 ARG A 56 10.271 -0.936 -10.807 1.00 0.00 H new ATOM 0 HH21 ARG A 56 7.639 -0.052 -12.979 1.00 0.00 H new ATOM 0 HH22 ARG A 56 8.924 -1.216 -12.638 1.00 0.00 H new ATOM 829 N PRO A 57 9.418 3.342 -4.628 1.00 0.00 N ATOM 830 CA PRO A 57 10.477 3.895 -3.778 1.00 0.00 C ATOM 831 C PRO A 57 10.894 2.932 -2.672 1.00 0.00 C ATOM 832 O PRO A 57 12.059 2.542 -2.580 1.00 0.00 O ATOM 833 CB PRO A 57 9.835 5.149 -3.181 1.00 0.00 C ATOM 834 CG PRO A 57 8.797 5.551 -4.171 1.00 0.00 C ATOM 835 CD PRO A 57 8.317 4.297 -4.836 1.00 0.00 C ATOM 0 HA PRO A 57 11.389 4.094 -4.341 1.00 0.00 H new ATOM 0 HB2 PRO A 57 9.393 4.942 -2.206 1.00 0.00 H new ATOM 0 HB3 PRO A 57 10.571 5.940 -3.036 1.00 0.00 H new ATOM 0 HG2 PRO A 57 7.973 6.066 -3.678 1.00 0.00 H new ATOM 0 HG3 PRO A 57 9.211 6.242 -4.905 1.00 0.00 H new ATOM 0 HD2 PRO A 57 7.388 3.939 -4.391 1.00 0.00 H new ATOM 0 HD3 PRO A 57 8.122 4.457 -5.896 1.00 0.00 H new ATOM 843 N CYS A 58 9.937 2.551 -1.833 1.00 0.00 N ATOM 844 CA CYS A 58 10.204 1.633 -0.732 1.00 0.00 C ATOM 845 C CYS A 58 10.562 0.245 -1.256 1.00 0.00 C ATOM 846 O CYS A 58 11.694 -0.215 -1.103 1.00 0.00 O ATOM 847 CB CYS A 58 8.987 1.544 0.191 1.00 0.00 C ATOM 848 SG CYS A 58 8.548 3.117 0.997 1.00 0.00 S ATOM 0 H CYS A 58 8.968 2.864 -1.895 1.00 0.00 H new ATOM 0 HA CYS A 58 11.053 2.019 -0.167 1.00 0.00 H new ATOM 0 HB2 CYS A 58 8.132 1.193 -0.386 1.00 0.00 H new ATOM 0 HB3 CYS A 58 9.181 0.796 0.960 1.00 0.00 H new ATOM 853 N HIS A 59 9.589 -0.417 -1.874 1.00 0.00 N ATOM 854 CA HIS A 59 9.802 -1.752 -2.422 1.00 0.00 C ATOM 855 C HIS A 59 11.197 -1.876 -3.025 1.00 0.00 C ATOM 856 O HIS A 59 11.816 -2.938 -2.969 1.00 0.00 O ATOM 857 CB HIS A 59 8.745 -2.066 -3.482 1.00 0.00 C ATOM 858 CG HIS A 59 9.014 -3.329 -4.240 1.00 0.00 C ATOM 859 ND1 HIS A 59 8.780 -4.584 -3.718 1.00 0.00 N ATOM 860 CD2 HIS A 59 9.498 -3.526 -5.488 1.00 0.00 C ATOM 861 CE1 HIS A 59 9.111 -5.499 -4.612 1.00 0.00 C ATOM 862 NE2 HIS A 59 9.549 -4.883 -5.696 1.00 0.00 N ATOM 0 H HIS A 59 8.646 -0.051 -2.008 1.00 0.00 H new ATOM 0 HA HIS A 59 9.713 -2.471 -1.607 1.00 0.00 H new ATOM 0 HB2 HIS A 59 7.770 -2.142 -3.000 1.00 0.00 H new ATOM 0 HB3 HIS A 59 8.689 -1.235 -4.185 1.00 0.00 H new ATOM 0 HD2 HIS A 59 9.790 -2.759 -6.190 1.00 0.00 H new ATOM 0 HE1 HIS A 59 9.036 -6.568 -4.479 1.00 0.00 H new ATOM 0 HE2 HIS A 59 9.872 -5.341 -6.548 1.00 0.00 H new ATOM 871 N ASN A 60 11.686 -0.784 -3.603 1.00 0.00 N ATOM 872 CA ASN A 60 13.009 -0.771 -4.218 1.00 0.00 C ATOM 873 C ASN A 60 14.103 -0.840 -3.157 1.00 0.00 C ATOM 874 O ASN A 60 15.084 -1.568 -3.309 1.00 0.00 O ATOM 875 CB ASN A 60 13.186 0.488 -5.069 1.00 0.00 C ATOM 876 CG ASN A 60 12.701 0.296 -6.493 1.00 0.00 C ATOM 877 OD1 ASN A 60 13.091 -0.655 -7.171 1.00 0.00 O ATOM 878 ND2 ASN A 60 11.847 1.202 -6.955 1.00 0.00 N ATOM 0 H ASN A 60 11.186 0.104 -3.659 1.00 0.00 H new ATOM 0 HA ASN A 60 13.093 -1.649 -4.858 1.00 0.00 H new ATOM 0 HB2 ASN A 60 12.641 1.313 -4.610 1.00 0.00 H new ATOM 0 HB3 ASN A 60 14.239 0.770 -5.081 1.00 0.00 H new ATOM 0 HD21 ASN A 60 11.488 1.126 -7.907 1.00 0.00 H new ATOM 0 HD22 ASN A 60 11.550 1.974 -6.358 1.00 0.00 H new ATOM 885 N ARG A 61 13.927 -0.076 -2.084 1.00 0.00 N ATOM 886 CA ARG A 61 14.900 -0.049 -0.998 1.00 0.00 C ATOM 887 C ARG A 61 15.048 -1.430 -0.367 1.00 0.00 C ATOM 888 O ARG A 61 16.137 -1.815 0.058 1.00 0.00 O ATOM 889 CB ARG A 61 14.480 0.967 0.066 1.00 0.00 C ATOM 890 CG ARG A 61 13.620 0.373 1.169 1.00 0.00 C ATOM 891 CD ARG A 61 12.870 1.453 1.933 1.00 0.00 C ATOM 892 NE ARG A 61 13.637 1.949 3.073 1.00 0.00 N ATOM 893 CZ ARG A 61 13.438 3.138 3.631 1.00 0.00 C ATOM 894 NH1 ARG A 61 12.502 3.949 3.156 1.00 0.00 N ATOM 895 NH2 ARG A 61 14.176 3.519 4.666 1.00 0.00 N ATOM 0 H ARG A 61 13.120 0.532 -1.943 1.00 0.00 H new ATOM 0 HA ARG A 61 15.863 0.247 -1.414 1.00 0.00 H new ATOM 0 HB2 ARG A 61 15.374 1.406 0.510 1.00 0.00 H new ATOM 0 HB3 ARG A 61 13.932 1.778 -0.414 1.00 0.00 H new ATOM 0 HG2 ARG A 61 12.908 -0.330 0.738 1.00 0.00 H new ATOM 0 HG3 ARG A 61 14.248 -0.192 1.858 1.00 0.00 H new ATOM 0 HD2 ARG A 61 12.642 2.281 1.261 1.00 0.00 H new ATOM 0 HD3 ARG A 61 11.917 1.055 2.282 1.00 0.00 H new ATOM 0 HE ARG A 61 14.365 1.350 3.462 1.00 0.00 H new ATOM 0 HH11 ARG A 61 11.933 3.660 2.360 1.00 0.00 H new ATOM 0 HH12 ARG A 61 12.351 4.861 3.586 1.00 0.00 H new ATOM 0 HH21 ARG A 61 14.897 2.899 5.034 1.00 0.00 H new ATOM 0 HH22 ARG A 61 14.022 4.432 5.093 1.00 0.00 H new ATOM 909 N GLU A 62 13.946 -2.171 -0.309 1.00 0.00 N ATOM 910 CA GLU A 62 13.954 -3.508 0.271 1.00 0.00 C ATOM 911 C GLU A 62 14.690 -4.490 -0.636 1.00 0.00 C ATOM 912 O GLU A 62 15.750 -5.006 -0.282 1.00 0.00 O ATOM 913 CB GLU A 62 12.523 -3.993 0.511 1.00 0.00 C ATOM 914 CG GLU A 62 11.563 -2.884 0.910 1.00 0.00 C ATOM 915 CD GLU A 62 10.404 -3.388 1.747 1.00 0.00 C ATOM 916 OE1 GLU A 62 9.517 -4.066 1.187 1.00 0.00 O ATOM 917 OE2 GLU A 62 10.384 -3.105 2.964 1.00 0.00 O ATOM 0 H GLU A 62 13.036 -1.868 -0.657 1.00 0.00 H new ATOM 0 HA GLU A 62 14.478 -3.459 1.226 1.00 0.00 H new ATOM 0 HB2 GLU A 62 12.154 -4.473 -0.396 1.00 0.00 H new ATOM 0 HB3 GLU A 62 12.532 -4.753 1.293 1.00 0.00 H new ATOM 0 HG2 GLU A 62 12.106 -2.123 1.470 1.00 0.00 H new ATOM 0 HG3 GLU A 62 11.175 -2.404 0.012 1.00 0.00 H new ATOM 924 N LYS A 63 14.119 -4.745 -1.808 1.00 0.00 N ATOM 925 CA LYS A 63 14.718 -5.665 -2.768 1.00 0.00 C ATOM 926 C LYS A 63 16.180 -5.309 -3.022 1.00 0.00 C ATOM 927 O LYS A 63 17.002 -6.182 -3.298 1.00 0.00 O ATOM 928 CB LYS A 63 13.940 -5.639 -4.085 1.00 0.00 C ATOM 929 CG LYS A 63 14.198 -4.397 -4.920 1.00 0.00 C ATOM 930 CD LYS A 63 13.890 -4.638 -6.389 1.00 0.00 C ATOM 931 CE LYS A 63 12.402 -4.509 -6.675 1.00 0.00 C ATOM 932 NZ LYS A 63 12.050 -5.027 -8.026 1.00 0.00 N ATOM 0 H LYS A 63 13.241 -4.327 -2.116 1.00 0.00 H new ATOM 0 HA LYS A 63 14.674 -6.670 -2.347 1.00 0.00 H new ATOM 0 HB2 LYS A 63 14.203 -6.521 -4.670 1.00 0.00 H new ATOM 0 HB3 LYS A 63 12.874 -5.706 -3.869 1.00 0.00 H new ATOM 0 HG2 LYS A 63 13.586 -3.575 -4.549 1.00 0.00 H new ATOM 0 HG3 LYS A 63 15.239 -4.094 -4.811 1.00 0.00 H new ATOM 0 HD2 LYS A 63 14.442 -3.924 -7.000 1.00 0.00 H new ATOM 0 HD3 LYS A 63 14.232 -5.633 -6.675 1.00 0.00 H new ATOM 0 HE2 LYS A 63 11.838 -5.055 -5.919 1.00 0.00 H new ATOM 0 HE3 LYS A 63 12.107 -3.462 -6.599 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 11.027 -4.921 -8.183 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 12.569 -4.490 -8.750 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 12.308 -6.032 -8.090 1.00 0.00 H new ATOM 946 N ALA A 64 16.496 -4.022 -2.927 1.00 0.00 N ATOM 947 CA ALA A 64 17.859 -3.552 -3.143 1.00 0.00 C ATOM 948 C ALA A 64 18.867 -4.446 -2.429 1.00 0.00 C ATOM 949 O ALA A 64 18.932 -4.467 -1.200 1.00 0.00 O ATOM 950 CB ALA A 64 18.001 -2.112 -2.672 1.00 0.00 C ATOM 0 H ALA A 64 15.827 -3.286 -2.702 1.00 0.00 H new ATOM 0 HA ALA A 64 18.067 -3.595 -4.212 1.00 0.00 H new ATOM 0 HB1 ALA A 64 19.024 -1.774 -2.839 1.00 0.00 H new ATOM 0 HB2 ALA A 64 17.313 -1.477 -3.230 1.00 0.00 H new ATOM 0 HB3 ALA A 64 17.768 -2.052 -1.609 1.00 0.00 H new ATOM 956 N SER A 65 19.652 -5.183 -3.208 1.00 0.00 N ATOM 957 CA SER A 65 20.655 -6.083 -2.650 1.00 0.00 C ATOM 958 C SER A 65 22.063 -5.566 -2.927 1.00 0.00 C ATOM 959 O SER A 65 22.805 -5.227 -2.006 1.00 0.00 O ATOM 960 CB SER A 65 20.491 -7.488 -3.234 1.00 0.00 C ATOM 961 OG SER A 65 21.160 -8.451 -2.438 1.00 0.00 O ATOM 0 H SER A 65 19.613 -5.175 -4.227 1.00 0.00 H new ATOM 0 HA SER A 65 20.509 -6.126 -1.571 1.00 0.00 H new ATOM 0 HB2 SER A 65 19.432 -7.737 -3.299 1.00 0.00 H new ATOM 0 HB3 SER A 65 20.887 -7.512 -4.249 1.00 0.00 H new ATOM 0 HG SER A 65 21.039 -9.341 -2.831 1.00 0.00 H new ATOM 967 N GLY A 66 22.425 -5.508 -4.206 1.00 0.00 N ATOM 968 CA GLY A 66 23.743 -5.031 -4.583 1.00 0.00 C ATOM 969 C GLY A 66 24.739 -6.160 -4.758 1.00 0.00 C ATOM 970 O GLY A 66 24.409 -7.237 -5.254 1.00 0.00 O ATOM 0 H GLY A 66 21.829 -5.783 -4.987 1.00 0.00 H new ATOM 0 HA2 GLY A 66 23.670 -4.467 -5.513 1.00 0.00 H new ATOM 0 HA3 GLY A 66 24.109 -4.343 -3.821 1.00 0.00 H new ATOM 974 N PRO A 67 25.993 -5.918 -4.346 1.00 0.00 N ATOM 975 CA PRO A 67 27.066 -6.910 -4.451 1.00 0.00 C ATOM 976 C PRO A 67 26.872 -8.078 -3.490 1.00 0.00 C ATOM 977 O PRO A 67 26.972 -7.917 -2.274 1.00 0.00 O ATOM 978 CB PRO A 67 28.321 -6.116 -4.079 1.00 0.00 C ATOM 979 CG PRO A 67 27.825 -5.002 -3.223 1.00 0.00 C ATOM 980 CD PRO A 67 26.458 -4.656 -3.745 1.00 0.00 C ATOM 0 HA PRO A 67 27.108 -7.361 -5.442 1.00 0.00 H new ATOM 0 HB2 PRO A 67 29.038 -6.738 -3.543 1.00 0.00 H new ATOM 0 HB3 PRO A 67 28.828 -5.738 -4.967 1.00 0.00 H new ATOM 0 HG2 PRO A 67 27.778 -5.305 -2.177 1.00 0.00 H new ATOM 0 HG3 PRO A 67 28.492 -4.142 -3.276 1.00 0.00 H new ATOM 0 HD2 PRO A 67 25.795 -4.323 -2.946 1.00 0.00 H new ATOM 0 HD3 PRO A 67 26.500 -3.852 -4.480 1.00 0.00 H new ATOM 988 N SER A 68 26.594 -9.254 -4.044 1.00 0.00 N ATOM 989 CA SER A 68 26.382 -10.449 -3.235 1.00 0.00 C ATOM 990 C SER A 68 27.507 -10.624 -2.220 1.00 0.00 C ATOM 991 O SER A 68 27.260 -10.846 -1.035 1.00 0.00 O ATOM 992 CB SER A 68 26.290 -11.686 -4.131 1.00 0.00 C ATOM 993 OG SER A 68 27.479 -11.861 -4.883 1.00 0.00 O ATOM 0 H SER A 68 26.510 -9.405 -5.049 1.00 0.00 H new ATOM 0 HA SER A 68 25.443 -10.331 -2.693 1.00 0.00 H new ATOM 0 HB2 SER A 68 26.110 -12.570 -3.519 1.00 0.00 H new ATOM 0 HB3 SER A 68 25.440 -11.587 -4.806 1.00 0.00 H new ATOM 0 HG SER A 68 27.396 -12.659 -5.446 1.00 0.00 H new ATOM 999 N SER A 69 28.745 -10.523 -2.694 1.00 0.00 N ATOM 1000 CA SER A 69 29.910 -10.674 -1.830 1.00 0.00 C ATOM 1001 C SER A 69 29.842 -9.706 -0.653 1.00 0.00 C ATOM 1002 O SER A 69 29.959 -10.108 0.504 1.00 0.00 O ATOM 1003 CB SER A 69 31.195 -10.439 -2.625 1.00 0.00 C ATOM 1004 OG SER A 69 32.337 -10.545 -1.792 1.00 0.00 O ATOM 0 H SER A 69 28.967 -10.337 -3.672 1.00 0.00 H new ATOM 0 HA SER A 69 29.914 -11.692 -1.441 1.00 0.00 H new ATOM 0 HB2 SER A 69 31.263 -11.165 -3.435 1.00 0.00 H new ATOM 0 HB3 SER A 69 31.167 -9.451 -3.084 1.00 0.00 H new ATOM 0 HG SER A 69 33.146 -10.392 -2.324 1.00 0.00 H new ATOM 1010 N GLY A 70 29.652 -8.425 -0.958 1.00 0.00 N ATOM 1011 CA GLY A 70 29.571 -7.418 0.084 1.00 0.00 C ATOM 1012 C GLY A 70 30.656 -7.580 1.131 1.00 0.00 C ATOM 1013 O GLY A 70 31.794 -7.879 0.773 1.00 0.00 O ATOM 0 H GLY A 70 29.553 -8.067 -1.908 1.00 0.00 H new ATOM 0 HA2 GLY A 70 29.648 -6.428 -0.365 1.00 0.00 H new ATOM 0 HA3 GLY A 70 28.595 -7.475 0.565 1.00 0.00 H new TER 1017 GLY A 70 HETATM 1018 ZN ZN A 201 -11.317 4.203 2.498 1.00 0.00 ZN HETATM 1019 ZN ZN A 401 6.691 3.553 0.314 1.00 0.00 ZN