USER MOD reduce.3.24.130724 H: found=0, std=0, add=384, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 384 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 29 HIS HE2 : A 29 HIS NE2 : A 101 ZNZN :(H bumps) USER MOD Set 1.1: A 32 ASN : amide:sc= -0.0157 X(o=0.016,f=0.031) USER MOD Set 1.2: A 33 THR OG1 : rot -150:sc= 0.0314 USER MOD Set 2.1: A 22 THR OG1 : rot -45:sc= 0.641 USER MOD Set 2.2: A 25 GLN : amide:sc= 1.89 K(o=2.5,f=-6.4!) USER MOD Single : A 7 MET CE :methyl 162:sc= -0.189 (180deg=-0.776) USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 GLN :FLIP amide:sc= -0.0476 F(o=-1.5!,f=-0.048) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0.00173 USER MOD Single : A 23 LYS NZ :NH3+ -140:sc= -1.08 (180deg=-3.35!) USER MOD Single : A 24 LYS NZ :NH3+ 164:sc= -0.0391 (180deg=-0.337) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 ASN : amide:sc= -0.379 K(o=-0.38,f=-6.1!) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 GLN : amide:sc= -1.28 X(o=-1.3,f=-0.8) USER MOD Single : A 47 SER OG : rot 180:sc= -1.3! USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 7 -12.460 2.792 -9.761 1.00 0.00 N ATOM 2 CA MET A 7 -11.036 2.395 -9.743 1.00 0.00 C ATOM 3 C MET A 7 -10.372 2.843 -8.446 1.00 0.00 C ATOM 4 O MET A 7 -10.251 4.035 -8.169 1.00 0.00 O ATOM 5 CB MET A 7 -10.295 2.970 -10.958 1.00 0.00 C ATOM 6 CG MET A 7 -10.386 4.483 -11.102 1.00 0.00 C ATOM 7 SD MET A 7 -9.510 5.090 -12.559 1.00 0.00 S ATOM 8 CE MET A 7 -10.438 4.287 -13.865 1.00 0.00 C ATOM 0 HA MET A 7 -10.984 1.308 -9.798 1.00 0.00 H new ATOM 0 HB2 MET A 7 -9.244 2.688 -10.893 1.00 0.00 H new ATOM 0 HB3 MET A 7 -10.694 2.508 -11.861 1.00 0.00 H new ATOM 0 HG2 MET A 7 -11.434 4.777 -11.163 1.00 0.00 H new ATOM 0 HG3 MET A 7 -9.974 4.955 -10.210 1.00 0.00 H new ATOM 0 HE1 MET A 7 -10.244 4.791 -14.812 1.00 0.00 H new ATOM 0 HE2 MET A 7 -10.132 3.243 -13.940 1.00 0.00 H new ATOM 0 HE3 MET A 7 -11.503 4.338 -13.639 1.00 0.00 H new ATOM 17 N GLU A 8 -9.954 1.877 -7.651 1.00 0.00 N ATOM 18 CA GLU A 8 -9.305 2.157 -6.383 1.00 0.00 C ATOM 19 C GLU A 8 -7.897 1.578 -6.399 1.00 0.00 C ATOM 20 O GLU A 8 -7.667 0.504 -6.950 1.00 0.00 O ATOM 21 CB GLU A 8 -10.126 1.566 -5.235 1.00 0.00 C ATOM 22 CG GLU A 8 -9.670 2.006 -3.854 1.00 0.00 C ATOM 23 CD GLU A 8 -10.573 1.486 -2.757 1.00 0.00 C ATOM 24 OE1 GLU A 8 -11.566 2.167 -2.420 1.00 0.00 O ATOM 25 OE2 GLU A 8 -10.304 0.390 -2.227 1.00 0.00 O ATOM 0 H GLU A 8 -10.053 0.884 -7.862 1.00 0.00 H new ATOM 0 HA GLU A 8 -9.239 3.235 -6.233 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -11.171 1.847 -5.367 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -10.079 0.478 -5.292 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -8.653 1.655 -3.681 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -9.642 3.095 -3.813 1.00 0.00 H new ATOM 32 N ARG A 9 -6.957 2.294 -5.813 1.00 0.00 N ATOM 33 CA ARG A 9 -5.563 1.883 -5.853 1.00 0.00 C ATOM 34 C ARG A 9 -5.165 1.212 -4.552 1.00 0.00 C ATOM 35 O ARG A 9 -5.272 1.811 -3.485 1.00 0.00 O ATOM 36 CB ARG A 9 -4.640 3.085 -6.106 1.00 0.00 C ATOM 37 CG ARG A 9 -4.689 3.651 -7.524 1.00 0.00 C ATOM 38 CD ARG A 9 -6.034 4.282 -7.862 1.00 0.00 C ATOM 39 NE ARG A 9 -6.465 5.250 -6.851 1.00 0.00 N ATOM 40 CZ ARG A 9 -7.435 6.142 -7.044 1.00 0.00 C ATOM 41 NH1 ARG A 9 -7.994 6.277 -8.241 1.00 0.00 N ATOM 42 NH2 ARG A 9 -7.831 6.915 -6.041 1.00 0.00 N ATOM 0 H ARG A 9 -7.130 3.161 -5.304 1.00 0.00 H new ATOM 0 HA ARG A 9 -5.454 1.174 -6.674 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -4.901 3.878 -5.405 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -3.615 2.789 -5.885 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -3.903 4.398 -7.640 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -4.478 2.853 -8.236 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -5.967 4.777 -8.831 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -6.787 3.499 -7.956 1.00 0.00 H new ATOM 0 HE ARG A 9 -5.995 5.240 -5.946 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -7.681 5.696 -9.019 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -8.736 6.962 -8.383 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -7.393 6.825 -5.124 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -8.574 7.599 -6.187 1.00 0.00 H new ATOM 56 N VAL A 10 -4.725 -0.034 -4.636 1.00 0.00 N ATOM 57 CA VAL A 10 -4.168 -0.700 -3.476 1.00 0.00 C ATOM 58 C VAL A 10 -2.652 -0.721 -3.583 1.00 0.00 C ATOM 59 O VAL A 10 -2.089 -1.055 -4.626 1.00 0.00 O ATOM 60 CB VAL A 10 -4.705 -2.138 -3.271 1.00 0.00 C ATOM 61 CG1 VAL A 10 -6.209 -2.134 -3.052 1.00 0.00 C ATOM 62 CG2 VAL A 10 -4.347 -3.045 -4.434 1.00 0.00 C ATOM 0 H VAL A 10 -4.743 -0.597 -5.487 1.00 0.00 H new ATOM 0 HA VAL A 10 -4.483 -0.129 -2.602 1.00 0.00 H new ATOM 0 HB VAL A 10 -4.223 -2.533 -2.377 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -6.559 -3.157 -2.911 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -6.446 -1.544 -2.167 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -6.702 -1.699 -3.921 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -4.742 -4.044 -4.251 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -4.779 -2.647 -5.352 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -3.263 -3.096 -4.535 1.00 0.00 H new ATOM 72 N TYR A 11 -1.995 -0.327 -2.514 1.00 0.00 N ATOM 73 CA TYR A 11 -0.552 -0.254 -2.494 1.00 0.00 C ATOM 74 C TYR A 11 -0.020 -1.420 -1.689 1.00 0.00 C ATOM 75 O TYR A 11 -0.334 -1.552 -0.508 1.00 0.00 O ATOM 76 CB TYR A 11 -0.102 1.073 -1.877 1.00 0.00 C ATOM 77 CG TYR A 11 -0.873 2.272 -2.387 1.00 0.00 C ATOM 78 CD1 TYR A 11 -2.092 2.622 -1.820 1.00 0.00 C ATOM 79 CD2 TYR A 11 -0.391 3.050 -3.431 1.00 0.00 C ATOM 80 CE1 TYR A 11 -2.807 3.707 -2.275 1.00 0.00 C ATOM 81 CE2 TYR A 11 -1.103 4.142 -3.893 1.00 0.00 C ATOM 82 CZ TYR A 11 -2.311 4.463 -3.311 1.00 0.00 C ATOM 83 OH TYR A 11 -3.021 5.555 -3.757 1.00 0.00 O ATOM 0 H TYR A 11 -2.443 -0.050 -1.640 1.00 0.00 H new ATOM 0 HA TYR A 11 -0.162 -0.305 -3.511 1.00 0.00 H new ATOM 0 HB2 TYR A 11 -0.211 1.016 -0.794 1.00 0.00 H new ATOM 0 HB3 TYR A 11 0.958 1.219 -2.084 1.00 0.00 H new ATOM 0 HD1 TYR A 11 -2.486 2.031 -1.006 1.00 0.00 H new ATOM 0 HD2 TYR A 11 0.554 2.799 -3.889 1.00 0.00 H new ATOM 0 HE1 TYR A 11 -3.753 3.963 -1.821 1.00 0.00 H new ATOM 0 HE2 TYR A 11 -0.715 4.740 -4.705 1.00 0.00 H new ATOM 0 HH TYR A 11 -2.535 5.983 -4.493 1.00 0.00 H new ATOM 93 N GLN A 12 0.746 -2.286 -2.327 1.00 0.00 N ATOM 94 CA GLN A 12 1.252 -3.466 -1.651 1.00 0.00 C ATOM 95 C GLN A 12 2.685 -3.257 -1.206 1.00 0.00 C ATOM 96 O GLN A 12 3.531 -2.840 -1.997 1.00 0.00 O ATOM 97 CB GLN A 12 1.202 -4.691 -2.560 1.00 0.00 C ATOM 98 CG GLN A 12 -0.099 -4.860 -3.323 1.00 0.00 C ATOM 99 CD GLN A 12 -0.137 -6.155 -4.111 1.00 0.00 C ATOM 100 OE1 GLN A 12 0.548 -7.174 -3.606 1.00 0.00 O flip ATOM 101 NE2 GLN A 12 -0.775 -6.244 -5.159 1.00 0.00 N flip ATOM 0 H GLN A 12 1.029 -2.196 -3.303 1.00 0.00 H new ATOM 0 HA GLN A 12 0.614 -3.634 -0.783 1.00 0.00 H new ATOM 0 HB2 GLN A 12 2.022 -4.630 -3.275 1.00 0.00 H new ATOM 0 HB3 GLN A 12 1.372 -5.582 -1.956 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -0.934 -4.838 -2.623 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -0.231 -4.019 -4.003 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -1.288 -5.437 -5.514 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -0.791 -7.125 -5.673 1.00 0.00 H new ATOM 110 N CYS A 13 2.953 -3.555 0.052 1.00 0.00 N ATOM 111 CA CYS A 13 4.314 -3.554 0.548 1.00 0.00 C ATOM 112 C CYS A 13 4.925 -4.915 0.218 1.00 0.00 C ATOM 113 O CYS A 13 4.385 -5.955 0.598 1.00 0.00 O ATOM 114 CB CYS A 13 4.357 -3.261 2.067 1.00 0.00 C ATOM 115 SG CYS A 13 4.039 -4.694 3.139 1.00 0.00 S ATOM 0 H CYS A 13 2.247 -3.800 0.746 1.00 0.00 H new ATOM 0 HA CYS A 13 4.891 -2.762 0.071 1.00 0.00 H new ATOM 0 HB2 CYS A 13 5.337 -2.852 2.315 1.00 0.00 H new ATOM 0 HB3 CYS A 13 3.623 -2.488 2.293 1.00 0.00 H new ATOM 120 N LEU A 14 6.028 -4.917 -0.510 1.00 0.00 N ATOM 121 CA LEU A 14 6.619 -6.162 -1.004 1.00 0.00 C ATOM 122 C LEU A 14 7.326 -6.935 0.109 1.00 0.00 C ATOM 123 O LEU A 14 8.070 -7.878 -0.150 1.00 0.00 O ATOM 124 CB LEU A 14 7.604 -5.869 -2.138 1.00 0.00 C ATOM 125 CG LEU A 14 7.021 -5.119 -3.336 1.00 0.00 C ATOM 126 CD1 LEU A 14 8.095 -4.890 -4.388 1.00 0.00 C ATOM 127 CD2 LEU A 14 5.844 -5.883 -3.928 1.00 0.00 C ATOM 0 H LEU A 14 6.537 -4.074 -0.776 1.00 0.00 H new ATOM 0 HA LEU A 14 5.806 -6.783 -1.380 1.00 0.00 H new ATOM 0 HB2 LEU A 14 8.433 -5.287 -1.735 1.00 0.00 H new ATOM 0 HB3 LEU A 14 8.019 -6.814 -2.489 1.00 0.00 H new ATOM 0 HG LEU A 14 6.658 -4.150 -2.994 1.00 0.00 H new ATOM 0 HD11 LEU A 14 7.666 -4.355 -5.235 1.00 0.00 H new ATOM 0 HD12 LEU A 14 8.905 -4.300 -3.959 1.00 0.00 H new ATOM 0 HD13 LEU A 14 8.485 -5.850 -4.725 1.00 0.00 H new ATOM 0 HD21 LEU A 14 5.444 -5.332 -4.779 1.00 0.00 H new ATOM 0 HD22 LEU A 14 6.178 -6.867 -4.257 1.00 0.00 H new ATOM 0 HD23 LEU A 14 5.067 -5.997 -3.172 1.00 0.00 H new ATOM 139 N ARG A 15 7.099 -6.527 1.345 1.00 0.00 N ATOM 140 CA ARG A 15 7.794 -7.107 2.482 1.00 0.00 C ATOM 141 C ARG A 15 6.862 -8.024 3.268 1.00 0.00 C ATOM 142 O ARG A 15 7.212 -9.161 3.581 1.00 0.00 O ATOM 143 CB ARG A 15 8.315 -5.989 3.379 1.00 0.00 C ATOM 144 CG ARG A 15 8.692 -4.736 2.604 1.00 0.00 C ATOM 145 CD ARG A 15 9.922 -4.951 1.729 1.00 0.00 C ATOM 146 NE ARG A 15 11.153 -5.063 2.517 1.00 0.00 N ATOM 147 CZ ARG A 15 12.246 -5.719 2.120 1.00 0.00 C ATOM 148 NH1 ARG A 15 12.245 -6.406 0.980 1.00 0.00 N ATOM 149 NH2 ARG A 15 13.341 -5.689 2.869 1.00 0.00 N ATOM 0 H ARG A 15 6.435 -5.792 1.588 1.00 0.00 H new ATOM 0 HA ARG A 15 8.633 -7.703 2.122 1.00 0.00 H new ATOM 0 HB2 ARG A 15 7.554 -5.738 4.118 1.00 0.00 H new ATOM 0 HB3 ARG A 15 9.186 -6.347 3.928 1.00 0.00 H new ATOM 0 HG2 ARG A 15 7.853 -4.430 1.980 1.00 0.00 H new ATOM 0 HG3 ARG A 15 8.883 -3.922 3.303 1.00 0.00 H new ATOM 0 HD2 ARG A 15 9.789 -5.856 1.136 1.00 0.00 H new ATOM 0 HD3 ARG A 15 10.016 -4.121 1.028 1.00 0.00 H new ATOM 0 HE ARG A 15 11.176 -4.609 3.430 1.00 0.00 H new ATOM 0 HH11 ARG A 15 11.405 -6.434 0.402 1.00 0.00 H new ATOM 0 HH12 ARG A 15 13.084 -6.904 0.684 1.00 0.00 H new ATOM 0 HH21 ARG A 15 13.346 -5.166 3.745 1.00 0.00 H new ATOM 0 HH22 ARG A 15 14.178 -6.189 2.569 1.00 0.00 H new ATOM 163 N CYS A 16 5.671 -7.524 3.583 1.00 0.00 N ATOM 164 CA CYS A 16 4.678 -8.324 4.295 1.00 0.00 C ATOM 165 C CYS A 16 3.600 -8.784 3.318 1.00 0.00 C ATOM 166 O CYS A 16 2.820 -9.694 3.605 1.00 0.00 O ATOM 167 CB CYS A 16 4.021 -7.519 5.425 1.00 0.00 C ATOM 168 SG CYS A 16 5.117 -6.355 6.272 1.00 0.00 S ATOM 0 H CYS A 16 5.371 -6.575 3.359 1.00 0.00 H new ATOM 0 HA CYS A 16 5.185 -9.184 4.732 1.00 0.00 H new ATOM 0 HB2 CYS A 16 3.177 -6.966 5.013 1.00 0.00 H new ATOM 0 HB3 CYS A 16 3.618 -8.216 6.160 1.00 0.00 H new ATOM 173 N GLY A 17 3.569 -8.137 2.154 1.00 0.00 N ATOM 174 CA GLY A 17 2.541 -8.408 1.171 1.00 0.00 C ATOM 175 C GLY A 17 1.253 -7.687 1.500 1.00 0.00 C ATOM 176 O GLY A 17 0.177 -8.089 1.058 1.00 0.00 O ATOM 0 H GLY A 17 4.245 -7.425 1.876 1.00 0.00 H new ATOM 0 HA2 GLY A 17 2.889 -8.100 0.185 1.00 0.00 H new ATOM 0 HA3 GLY A 17 2.356 -9.481 1.123 1.00 0.00 H new ATOM 180 N LEU A 18 1.360 -6.602 2.261 1.00 0.00 N ATOM 181 CA LEU A 18 0.171 -5.911 2.757 1.00 0.00 C ATOM 182 C LEU A 18 -0.358 -4.904 1.742 1.00 0.00 C ATOM 183 O LEU A 18 0.415 -4.168 1.131 1.00 0.00 O ATOM 184 CB LEU A 18 0.463 -5.214 4.087 1.00 0.00 C ATOM 185 CG LEU A 18 0.767 -6.148 5.261 1.00 0.00 C ATOM 186 CD1 LEU A 18 0.990 -5.344 6.531 1.00 0.00 C ATOM 187 CD2 LEU A 18 -0.365 -7.149 5.454 1.00 0.00 C ATOM 0 H LEU A 18 2.246 -6.185 2.546 1.00 0.00 H new ATOM 0 HA LEU A 18 -0.599 -6.665 2.916 1.00 0.00 H new ATOM 0 HB2 LEU A 18 1.311 -4.543 3.949 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -0.394 -4.594 4.350 1.00 0.00 H new ATOM 0 HG LEU A 18 1.679 -6.701 5.037 1.00 0.00 H new ATOM 0 HD11 LEU A 18 1.205 -6.021 7.357 1.00 0.00 H new ATOM 0 HD12 LEU A 18 1.831 -4.666 6.389 1.00 0.00 H new ATOM 0 HD13 LEU A 18 0.094 -4.767 6.759 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -0.132 -7.805 6.293 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -1.293 -6.614 5.658 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -0.482 -7.745 4.549 1.00 0.00 H new ATOM 199 N THR A 19 -1.675 -4.883 1.573 1.00 0.00 N ATOM 200 CA THR A 19 -2.327 -3.954 0.654 1.00 0.00 C ATOM 201 C THR A 19 -2.980 -2.804 1.414 1.00 0.00 C ATOM 202 O THR A 19 -3.627 -3.016 2.442 1.00 0.00 O ATOM 203 CB THR A 19 -3.412 -4.652 -0.190 1.00 0.00 C ATOM 204 OG1 THR A 19 -4.243 -5.460 0.656 1.00 0.00 O ATOM 205 CG2 THR A 19 -2.802 -5.512 -1.284 1.00 0.00 C ATOM 0 H THR A 19 -2.318 -5.504 2.064 1.00 0.00 H new ATOM 0 HA THR A 19 -1.547 -3.573 -0.006 1.00 0.00 H new ATOM 0 HB THR A 19 -4.014 -3.878 -0.667 1.00 0.00 H new ATOM 0 HG1 THR A 19 -4.932 -5.900 0.115 1.00 0.00 H new ATOM 0 HG21 THR A 19 -3.597 -5.988 -1.858 1.00 0.00 H new ATOM 0 HG22 THR A 19 -2.201 -4.888 -1.945 1.00 0.00 H new ATOM 0 HG23 THR A 19 -2.170 -6.278 -0.835 1.00 0.00 H new ATOM 213 N PHE A 20 -2.806 -1.595 0.910 1.00 0.00 N ATOM 214 CA PHE A 20 -3.438 -0.423 1.498 1.00 0.00 C ATOM 215 C PHE A 20 -4.294 0.277 0.460 1.00 0.00 C ATOM 216 O PHE A 20 -3.942 0.311 -0.711 1.00 0.00 O ATOM 217 CB PHE A 20 -2.373 0.535 2.024 1.00 0.00 C ATOM 218 CG PHE A 20 -1.362 -0.145 2.893 1.00 0.00 C ATOM 219 CD1 PHE A 20 -1.650 -0.440 4.213 1.00 0.00 C ATOM 220 CD2 PHE A 20 -0.131 -0.504 2.380 1.00 0.00 C ATOM 221 CE1 PHE A 20 -0.722 -1.079 5.007 1.00 0.00 C ATOM 222 CE2 PHE A 20 0.798 -1.145 3.165 1.00 0.00 C ATOM 223 CZ PHE A 20 0.503 -1.434 4.480 1.00 0.00 C ATOM 0 H PHE A 20 -2.230 -1.397 0.092 1.00 0.00 H new ATOM 0 HA PHE A 20 -4.071 -0.740 2.327 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -1.865 1.005 1.182 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -2.855 1.332 2.590 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -2.610 -0.167 4.625 1.00 0.00 H new ATOM 0 HD2 PHE A 20 0.105 -0.279 1.350 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -0.953 -1.301 6.038 1.00 0.00 H new ATOM 0 HE2 PHE A 20 1.757 -1.422 2.752 1.00 0.00 H new ATOM 0 HZ PHE A 20 1.231 -1.938 5.098 1.00 0.00 H new ATOM 233 N ARG A 21 -5.417 0.828 0.891 1.00 0.00 N ATOM 234 CA ARG A 21 -6.342 1.481 -0.027 1.00 0.00 C ATOM 235 C ARG A 21 -5.980 2.955 -0.198 1.00 0.00 C ATOM 236 O ARG A 21 -6.345 3.590 -1.191 1.00 0.00 O ATOM 237 CB ARG A 21 -7.773 1.335 0.485 1.00 0.00 C ATOM 238 CG ARG A 21 -8.225 -0.113 0.618 1.00 0.00 C ATOM 239 CD ARG A 21 -9.621 -0.203 1.209 1.00 0.00 C ATOM 240 NE ARG A 21 -10.585 0.557 0.421 1.00 0.00 N ATOM 241 CZ ARG A 21 -11.642 1.178 0.930 1.00 0.00 C ATOM 242 NH1 ARG A 21 -11.929 1.069 2.222 1.00 0.00 N ATOM 243 NH2 ARG A 21 -12.426 1.902 0.143 1.00 0.00 N ATOM 0 H ARG A 21 -5.711 0.837 1.868 1.00 0.00 H new ATOM 0 HA ARG A 21 -6.267 0.999 -1.002 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -7.855 1.824 1.456 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -8.448 1.857 -0.193 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -8.211 -0.592 -0.361 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -7.524 -0.658 1.250 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -9.931 -1.247 1.256 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -9.609 0.173 2.232 1.00 0.00 H new ATOM 0 HE ARG A 21 -10.437 0.615 -0.587 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -11.335 0.505 2.830 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -12.743 1.549 2.606 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -12.217 1.981 -0.852 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -13.239 2.380 0.533 1.00 0.00 H new ATOM 257 N THR A 22 -5.277 3.498 0.784 1.00 0.00 N ATOM 258 CA THR A 22 -4.757 4.849 0.696 1.00 0.00 C ATOM 259 C THR A 22 -3.251 4.841 0.956 1.00 0.00 C ATOM 260 O THR A 22 -2.752 4.091 1.797 1.00 0.00 O ATOM 261 CB THR A 22 -5.467 5.810 1.679 1.00 0.00 C ATOM 262 OG1 THR A 22 -5.473 5.262 3.001 1.00 0.00 O ATOM 263 CG2 THR A 22 -6.896 6.086 1.236 1.00 0.00 C ATOM 0 H THR A 22 -5.054 3.018 1.656 1.00 0.00 H new ATOM 0 HA THR A 22 -4.952 5.216 -0.312 1.00 0.00 H new ATOM 0 HB THR A 22 -4.914 6.749 1.682 1.00 0.00 H new ATOM 0 HG1 THR A 22 -5.724 4.315 2.962 1.00 0.00 H new ATOM 0 HG21 THR A 22 -7.372 6.764 1.944 1.00 0.00 H new ATOM 0 HG22 THR A 22 -6.888 6.542 0.246 1.00 0.00 H new ATOM 0 HG23 THR A 22 -7.453 5.150 1.200 1.00 0.00 H new ATOM 271 N LYS A 23 -2.533 5.675 0.213 1.00 0.00 N ATOM 272 CA LYS A 23 -1.075 5.652 0.202 1.00 0.00 C ATOM 273 C LYS A 23 -0.488 6.135 1.528 1.00 0.00 C ATOM 274 O LYS A 23 0.681 5.887 1.825 1.00 0.00 O ATOM 275 CB LYS A 23 -0.560 6.489 -0.972 1.00 0.00 C ATOM 276 CG LYS A 23 0.934 6.359 -1.233 1.00 0.00 C ATOM 277 CD LYS A 23 1.333 6.925 -2.592 1.00 0.00 C ATOM 278 CE LYS A 23 1.291 8.448 -2.640 1.00 0.00 C ATOM 279 NZ LYS A 23 -0.092 9.004 -2.596 1.00 0.00 N ATOM 0 H LYS A 23 -2.943 6.383 -0.396 1.00 0.00 H new ATOM 0 HA LYS A 23 -0.747 4.620 0.075 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -1.100 6.199 -1.873 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -0.793 7.537 -0.784 1.00 0.00 H new ATOM 0 HG2 LYS A 23 1.485 6.879 -0.449 1.00 0.00 H new ATOM 0 HG3 LYS A 23 1.220 5.309 -1.181 1.00 0.00 H new ATOM 0 HD2 LYS A 23 2.340 6.587 -2.839 1.00 0.00 H new ATOM 0 HD3 LYS A 23 0.666 6.525 -3.356 1.00 0.00 H new ATOM 0 HE2 LYS A 23 1.862 8.846 -1.801 1.00 0.00 H new ATOM 0 HE3 LYS A 23 1.783 8.789 -3.551 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -0.163 9.809 -3.250 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -0.771 8.268 -2.877 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -0.307 9.323 -1.630 1.00 0.00 H new ATOM 293 N LYS A 24 -1.301 6.808 2.332 1.00 0.00 N ATOM 294 CA LYS A 24 -0.873 7.234 3.659 1.00 0.00 C ATOM 295 C LYS A 24 -0.643 6.018 4.553 1.00 0.00 C ATOM 296 O LYS A 24 0.281 5.999 5.367 1.00 0.00 O ATOM 297 CB LYS A 24 -1.915 8.164 4.275 1.00 0.00 C ATOM 298 CG LYS A 24 -1.480 8.791 5.589 1.00 0.00 C ATOM 299 CD LYS A 24 -2.499 9.806 6.077 1.00 0.00 C ATOM 300 CE LYS A 24 -2.048 10.466 7.367 1.00 0.00 C ATOM 301 NZ LYS A 24 -0.748 11.168 7.209 1.00 0.00 N ATOM 0 H LYS A 24 -2.257 7.070 2.090 1.00 0.00 H new ATOM 0 HA LYS A 24 0.066 7.780 3.569 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -2.145 8.957 3.564 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -2.836 7.604 4.438 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -1.349 8.013 6.341 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -0.512 9.276 5.461 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -2.653 10.567 5.312 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -3.459 9.314 6.234 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -2.806 11.177 7.695 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -1.960 9.711 8.149 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -0.606 11.820 8.007 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 0.023 10.471 7.191 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -0.750 11.706 6.319 1.00 0.00 H new ATOM 315 N GLN A 25 -1.472 4.993 4.372 1.00 0.00 N ATOM 316 CA GLN A 25 -1.322 3.743 5.110 1.00 0.00 C ATOM 317 C GLN A 25 -0.043 3.045 4.670 1.00 0.00 C ATOM 318 O GLN A 25 0.571 2.293 5.426 1.00 0.00 O ATOM 319 CB GLN A 25 -2.503 2.810 4.844 1.00 0.00 C ATOM 320 CG GLN A 25 -3.871 3.423 5.088 1.00 0.00 C ATOM 321 CD GLN A 25 -4.992 2.534 4.583 1.00 0.00 C ATOM 322 OE1 GLN A 25 -5.382 2.611 3.418 1.00 0.00 O ATOM 323 NE2 GLN A 25 -5.521 1.691 5.451 1.00 0.00 N ATOM 0 H GLN A 25 -2.256 5.004 3.719 1.00 0.00 H new ATOM 0 HA GLN A 25 -1.283 3.976 6.174 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -2.453 2.470 3.810 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -2.399 1.927 5.475 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -4.003 3.601 6.155 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -3.927 4.393 4.593 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -5.170 1.657 6.408 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -6.281 1.074 5.164 1.00 0.00 H new ATOM 332 N LEU A 26 0.352 3.318 3.436 1.00 0.00 N ATOM 333 CA LEU A 26 1.511 2.691 2.837 1.00 0.00 C ATOM 334 C LEU A 26 2.794 3.319 3.362 1.00 0.00 C ATOM 335 O LEU A 26 3.672 2.625 3.863 1.00 0.00 O ATOM 336 CB LEU A 26 1.445 2.856 1.321 1.00 0.00 C ATOM 337 CG LEU A 26 2.673 2.372 0.559 1.00 0.00 C ATOM 338 CD1 LEU A 26 2.651 0.862 0.409 1.00 0.00 C ATOM 339 CD2 LEU A 26 2.750 3.057 -0.790 1.00 0.00 C ATOM 0 H LEU A 26 -0.125 3.981 2.825 1.00 0.00 H new ATOM 0 HA LEU A 26 1.512 1.632 3.097 1.00 0.00 H new ATOM 0 HB2 LEU A 26 0.573 2.317 0.951 1.00 0.00 H new ATOM 0 HB3 LEU A 26 1.289 3.910 1.093 1.00 0.00 H new ATOM 0 HG LEU A 26 3.566 2.633 1.127 1.00 0.00 H new ATOM 0 HD11 LEU A 26 3.536 0.538 -0.138 1.00 0.00 H new ATOM 0 HD12 LEU A 26 2.644 0.398 1.395 1.00 0.00 H new ATOM 0 HD13 LEU A 26 1.757 0.564 -0.139 1.00 0.00 H new ATOM 0 HD21 LEU A 26 3.631 2.705 -1.327 1.00 0.00 H new ATOM 0 HD22 LEU A 26 1.855 2.824 -1.368 1.00 0.00 H new ATOM 0 HD23 LEU A 26 2.819 4.135 -0.647 1.00 0.00 H new ATOM 351 N ILE A 27 2.876 4.638 3.273 1.00 0.00 N ATOM 352 CA ILE A 27 4.086 5.355 3.649 1.00 0.00 C ATOM 353 C ILE A 27 4.386 5.186 5.135 1.00 0.00 C ATOM 354 O ILE A 27 5.526 4.921 5.514 1.00 0.00 O ATOM 355 CB ILE A 27 3.990 6.855 3.292 1.00 0.00 C ATOM 356 CG1 ILE A 27 3.756 7.019 1.786 1.00 0.00 C ATOM 357 CG2 ILE A 27 5.256 7.590 3.720 1.00 0.00 C ATOM 358 CD1 ILE A 27 3.618 8.459 1.335 1.00 0.00 C ATOM 0 H ILE A 27 2.118 5.235 2.943 1.00 0.00 H new ATOM 0 HA ILE A 27 4.907 4.922 3.078 1.00 0.00 H new ATOM 0 HB ILE A 27 3.147 7.290 3.829 1.00 0.00 H new ATOM 0 HG12 ILE A 27 4.585 6.559 1.248 1.00 0.00 H new ATOM 0 HG13 ILE A 27 2.854 6.474 1.508 1.00 0.00 H new ATOM 0 HG21 ILE A 27 5.170 8.645 3.460 1.00 0.00 H new ATOM 0 HG22 ILE A 27 5.387 7.491 4.798 1.00 0.00 H new ATOM 0 HG23 ILE A 27 6.117 7.160 3.209 1.00 0.00 H new ATOM 0 HD11 ILE A 27 3.455 8.489 0.258 1.00 0.00 H new ATOM 0 HD12 ILE A 27 2.771 8.920 1.843 1.00 0.00 H new ATOM 0 HD13 ILE A 27 4.529 9.006 1.579 1.00 0.00 H new ATOM 370 N ARG A 28 3.357 5.310 5.972 1.00 0.00 N ATOM 371 CA ARG A 28 3.530 5.155 7.414 1.00 0.00 C ATOM 372 C ARG A 28 4.088 3.767 7.751 1.00 0.00 C ATOM 373 O ARG A 28 4.903 3.617 8.655 1.00 0.00 O ATOM 374 CB ARG A 28 2.198 5.376 8.147 1.00 0.00 C ATOM 375 CG ARG A 28 1.189 4.260 7.931 1.00 0.00 C ATOM 376 CD ARG A 28 -0.103 4.499 8.688 1.00 0.00 C ATOM 377 NE ARG A 28 -0.993 3.346 8.586 1.00 0.00 N ATOM 378 CZ ARG A 28 -2.319 3.416 8.592 1.00 0.00 C ATOM 379 NH1 ARG A 28 -2.924 4.588 8.718 1.00 0.00 N ATOM 380 NH2 ARG A 28 -3.034 2.305 8.480 1.00 0.00 N ATOM 0 H ARG A 28 2.402 5.516 5.679 1.00 0.00 H new ATOM 0 HA ARG A 28 4.244 5.908 7.748 1.00 0.00 H new ATOM 0 HB2 ARG A 28 2.393 5.476 9.215 1.00 0.00 H new ATOM 0 HB3 ARG A 28 1.762 6.318 7.814 1.00 0.00 H new ATOM 0 HG2 ARG A 28 0.973 4.170 6.867 1.00 0.00 H new ATOM 0 HG3 ARG A 28 1.624 3.313 8.249 1.00 0.00 H new ATOM 0 HD2 ARG A 28 0.118 4.700 9.736 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -0.602 5.384 8.292 1.00 0.00 H new ATOM 0 HE ARG A 28 -0.567 2.423 8.505 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -2.371 5.440 8.811 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -3.943 4.638 8.722 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -2.565 1.404 8.390 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -4.053 2.352 8.484 1.00 0.00 H new ATOM 394 N HIS A 29 3.664 2.765 6.991 1.00 0.00 N ATOM 395 CA HIS A 29 4.039 1.382 7.255 1.00 0.00 C ATOM 396 C HIS A 29 5.399 1.052 6.634 1.00 0.00 C ATOM 397 O HIS A 29 6.249 0.437 7.279 1.00 0.00 O ATOM 398 CB HIS A 29 2.935 0.459 6.725 1.00 0.00 C ATOM 399 CG HIS A 29 3.256 -1.005 6.759 1.00 0.00 C ATOM 400 ND1 HIS A 29 3.494 -1.731 7.906 1.00 0.00 N ATOM 401 CD2 HIS A 29 3.346 -1.885 5.737 1.00 0.00 C ATOM 402 CE1 HIS A 29 3.721 -3.004 7.543 1.00 0.00 C ATOM 403 NE2 HIS A 29 3.637 -3.143 6.235 1.00 0.00 N ATOM 0 H HIS A 29 3.056 2.886 6.181 1.00 0.00 H new ATOM 0 HA HIS A 29 4.142 1.230 8.329 1.00 0.00 H new ATOM 0 HB2 HIS A 29 2.030 0.630 7.308 1.00 0.00 H new ATOM 0 HB3 HIS A 29 2.710 0.742 5.697 1.00 0.00 H new ATOM 0 HD1 HIS A 29 3.497 -1.367 8.859 1.00 0.00 H new ATOM 0 HD2 HIS A 29 3.212 -1.644 4.693 1.00 0.00 H new ATOM 0 HE1 HIS A 29 3.943 -3.806 8.231 1.00 0.00 H new ATOM 411 N LEU A 30 5.595 1.460 5.385 1.00 0.00 N ATOM 412 CA LEU A 30 6.885 1.325 4.712 1.00 0.00 C ATOM 413 C LEU A 30 8.022 1.903 5.552 1.00 0.00 C ATOM 414 O LEU A 30 9.039 1.245 5.757 1.00 0.00 O ATOM 415 CB LEU A 30 6.838 1.999 3.336 1.00 0.00 C ATOM 416 CG LEU A 30 6.432 1.091 2.162 1.00 0.00 C ATOM 417 CD1 LEU A 30 7.598 0.214 1.736 1.00 0.00 C ATOM 418 CD2 LEU A 30 5.242 0.223 2.532 1.00 0.00 C ATOM 0 H LEU A 30 4.870 1.891 4.812 1.00 0.00 H new ATOM 0 HA LEU A 30 7.082 0.261 4.580 1.00 0.00 H new ATOM 0 HB2 LEU A 30 6.139 2.834 3.384 1.00 0.00 H new ATOM 0 HB3 LEU A 30 7.821 2.419 3.124 1.00 0.00 H new ATOM 0 HG LEU A 30 6.148 1.732 1.328 1.00 0.00 H new ATOM 0 HD11 LEU A 30 7.291 -0.421 0.905 1.00 0.00 H new ATOM 0 HD12 LEU A 30 8.431 0.843 1.424 1.00 0.00 H new ATOM 0 HD13 LEU A 30 7.909 -0.410 2.574 1.00 0.00 H new ATOM 0 HD21 LEU A 30 4.975 -0.409 1.685 1.00 0.00 H new ATOM 0 HD22 LEU A 30 5.500 -0.404 3.385 1.00 0.00 H new ATOM 0 HD23 LEU A 30 4.395 0.858 2.792 1.00 0.00 H new ATOM 430 N VAL A 31 7.835 3.112 6.060 1.00 0.00 N ATOM 431 CA VAL A 31 8.880 3.778 6.828 1.00 0.00 C ATOM 432 C VAL A 31 9.047 3.156 8.218 1.00 0.00 C ATOM 433 O VAL A 31 10.168 2.907 8.668 1.00 0.00 O ATOM 434 CB VAL A 31 8.597 5.292 6.970 1.00 0.00 C ATOM 435 CG1 VAL A 31 9.682 5.975 7.790 1.00 0.00 C ATOM 436 CG2 VAL A 31 8.476 5.945 5.601 1.00 0.00 C ATOM 0 H VAL A 31 6.975 3.651 5.956 1.00 0.00 H new ATOM 0 HA VAL A 31 9.808 3.642 6.273 1.00 0.00 H new ATOM 0 HB VAL A 31 7.649 5.409 7.496 1.00 0.00 H new ATOM 0 HG11 VAL A 31 9.459 7.039 7.875 1.00 0.00 H new ATOM 0 HG12 VAL A 31 9.719 5.532 8.785 1.00 0.00 H new ATOM 0 HG13 VAL A 31 10.646 5.845 7.298 1.00 0.00 H new ATOM 0 HG21 VAL A 31 8.277 7.010 5.722 1.00 0.00 H new ATOM 0 HG22 VAL A 31 9.407 5.810 5.050 1.00 0.00 H new ATOM 0 HG23 VAL A 31 7.657 5.483 5.049 1.00 0.00 H new ATOM 446 N ASN A 32 7.934 2.883 8.885 1.00 0.00 N ATOM 447 CA ASN A 32 7.969 2.415 10.268 1.00 0.00 C ATOM 448 C ASN A 32 8.352 0.941 10.365 1.00 0.00 C ATOM 449 O ASN A 32 9.255 0.578 11.120 1.00 0.00 O ATOM 450 CB ASN A 32 6.614 2.653 10.945 1.00 0.00 C ATOM 451 CG ASN A 32 6.582 2.182 12.390 1.00 0.00 C ATOM 452 OD1 ASN A 32 6.974 2.910 13.300 1.00 0.00 O ATOM 453 ND2 ASN A 32 6.096 0.971 12.614 1.00 0.00 N ATOM 0 H ASN A 32 6.997 2.977 8.494 1.00 0.00 H new ATOM 0 HA ASN A 32 8.738 2.989 10.785 1.00 0.00 H new ATOM 0 HB2 ASN A 32 6.378 3.717 10.910 1.00 0.00 H new ATOM 0 HB3 ASN A 32 5.837 2.135 10.382 1.00 0.00 H new ATOM 0 HD21 ASN A 32 6.037 0.613 13.567 1.00 0.00 H new ATOM 0 HD22 ASN A 32 5.780 0.396 11.833 1.00 0.00 H new ATOM 460 N THR A 33 7.684 0.099 9.595 1.00 0.00 N ATOM 461 CA THR A 33 7.845 -1.341 9.731 1.00 0.00 C ATOM 462 C THR A 33 8.959 -1.883 8.831 1.00 0.00 C ATOM 463 O THR A 33 9.863 -2.574 9.303 1.00 0.00 O ATOM 464 CB THR A 33 6.525 -2.066 9.411 1.00 0.00 C ATOM 465 OG1 THR A 33 5.444 -1.418 10.096 1.00 0.00 O ATOM 466 CG2 THR A 33 6.592 -3.529 9.834 1.00 0.00 C ATOM 0 H THR A 33 7.026 0.386 8.870 1.00 0.00 H new ATOM 0 HA THR A 33 8.125 -1.533 10.767 1.00 0.00 H new ATOM 0 HB THR A 33 6.360 -2.025 8.334 1.00 0.00 H new ATOM 0 HG1 THR A 33 4.747 -2.075 10.303 1.00 0.00 H new ATOM 0 HG21 THR A 33 5.648 -4.020 9.598 1.00 0.00 H new ATOM 0 HG22 THR A 33 7.403 -4.025 9.300 1.00 0.00 H new ATOM 0 HG23 THR A 33 6.774 -3.590 10.907 1.00 0.00 H new ATOM 474 N GLU A 34 8.908 -1.549 7.544 1.00 0.00 N ATOM 475 CA GLU A 34 9.866 -2.091 6.579 1.00 0.00 C ATOM 476 C GLU A 34 11.147 -1.257 6.558 1.00 0.00 C ATOM 477 O GLU A 34 12.039 -1.511 5.748 1.00 0.00 O ATOM 478 CB GLU A 34 9.289 -2.131 5.157 1.00 0.00 C ATOM 479 CG GLU A 34 7.807 -1.823 5.043 1.00 0.00 C ATOM 480 CD GLU A 34 6.909 -3.018 5.261 1.00 0.00 C ATOM 481 OE1 GLU A 34 6.529 -3.323 6.396 1.00 0.00 O ATOM 482 OE2 GLU A 34 6.500 -3.647 4.273 1.00 0.00 O ATOM 0 H GLU A 34 8.220 -0.911 7.145 1.00 0.00 H new ATOM 0 HA GLU A 34 10.086 -3.109 6.900 1.00 0.00 H new ATOM 0 HB2 GLU A 34 9.838 -1.419 4.541 1.00 0.00 H new ATOM 0 HB3 GLU A 34 9.470 -3.121 4.738 1.00 0.00 H new ATOM 0 HG2 GLU A 34 7.550 -1.052 5.770 1.00 0.00 H new ATOM 0 HG3 GLU A 34 7.608 -1.408 4.055 1.00 0.00 H new ATOM 489 N LYS A 35 11.197 -0.251 7.443 1.00 0.00 N ATOM 490 CA LYS A 35 12.324 0.690 7.574 1.00 0.00 C ATOM 491 C LYS A 35 12.720 1.313 6.231 1.00 0.00 C ATOM 492 O LYS A 35 13.869 1.720 6.038 1.00 0.00 O ATOM 493 CB LYS A 35 13.553 0.036 8.246 1.00 0.00 C ATOM 494 CG LYS A 35 14.316 -0.945 7.371 1.00 0.00 C ATOM 495 CD LYS A 35 15.817 -0.738 7.472 1.00 0.00 C ATOM 496 CE LYS A 35 16.566 -1.561 6.439 1.00 0.00 C ATOM 497 NZ LYS A 35 16.438 -3.023 6.677 1.00 0.00 N ATOM 0 H LYS A 35 10.441 -0.063 8.102 1.00 0.00 H new ATOM 0 HA LYS A 35 11.971 1.491 8.223 1.00 0.00 H new ATOM 0 HB2 LYS A 35 14.236 0.823 8.565 1.00 0.00 H new ATOM 0 HB3 LYS A 35 13.223 -0.483 9.146 1.00 0.00 H new ATOM 0 HG2 LYS A 35 14.069 -1.965 7.666 1.00 0.00 H new ATOM 0 HG3 LYS A 35 14.002 -0.828 6.334 1.00 0.00 H new ATOM 0 HD2 LYS A 35 16.049 0.318 7.334 1.00 0.00 H new ATOM 0 HD3 LYS A 35 16.156 -1.011 8.471 1.00 0.00 H new ATOM 0 HE2 LYS A 35 16.187 -1.323 5.445 1.00 0.00 H new ATOM 0 HE3 LYS A 35 17.620 -1.284 6.453 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 16.966 -3.541 5.946 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 16.823 -3.257 7.614 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 15.435 -3.295 6.637 1.00 0.00 H new ATOM 511 N VAL A 36 11.764 1.418 5.320 1.00 0.00 N ATOM 512 CA VAL A 36 12.027 1.950 3.996 1.00 0.00 C ATOM 513 C VAL A 36 12.015 3.472 4.015 1.00 0.00 C ATOM 514 O VAL A 36 11.127 4.094 4.601 1.00 0.00 O ATOM 515 CB VAL A 36 11.001 1.428 2.965 1.00 0.00 C ATOM 516 CG1 VAL A 36 11.160 2.133 1.627 1.00 0.00 C ATOM 517 CG2 VAL A 36 11.149 -0.075 2.788 1.00 0.00 C ATOM 0 H VAL A 36 10.795 1.140 5.477 1.00 0.00 H new ATOM 0 HA VAL A 36 13.017 1.607 3.697 1.00 0.00 H new ATOM 0 HB VAL A 36 10.002 1.644 3.345 1.00 0.00 H new ATOM 0 HG11 VAL A 36 10.425 1.745 0.922 1.00 0.00 H new ATOM 0 HG12 VAL A 36 11.006 3.204 1.759 1.00 0.00 H new ATOM 0 HG13 VAL A 36 12.163 1.956 1.239 1.00 0.00 H new ATOM 0 HG21 VAL A 36 10.420 -0.429 2.059 1.00 0.00 H new ATOM 0 HG22 VAL A 36 12.155 -0.303 2.435 1.00 0.00 H new ATOM 0 HG23 VAL A 36 10.978 -0.572 3.743 1.00 0.00 H new ATOM 527 N ASN A 37 13.015 4.060 3.381 1.00 0.00 N ATOM 528 CA ASN A 37 13.133 5.504 3.295 1.00 0.00 C ATOM 529 C ASN A 37 12.182 6.029 2.223 1.00 0.00 C ATOM 530 O ASN A 37 12.060 5.435 1.152 1.00 0.00 O ATOM 531 CB ASN A 37 14.580 5.881 2.965 1.00 0.00 C ATOM 532 CG ASN A 37 14.799 7.376 2.904 1.00 0.00 C ATOM 533 OD1 ASN A 37 14.663 7.992 1.848 1.00 0.00 O ATOM 534 ND2 ASN A 37 15.133 7.969 4.037 1.00 0.00 N ATOM 0 H ASN A 37 13.765 3.551 2.913 1.00 0.00 H new ATOM 0 HA ASN A 37 12.865 5.954 4.251 1.00 0.00 H new ATOM 0 HB2 ASN A 37 15.242 5.452 3.717 1.00 0.00 H new ATOM 0 HB3 ASN A 37 14.856 5.439 2.008 1.00 0.00 H new ATOM 0 HD21 ASN A 37 15.289 8.977 4.059 1.00 0.00 H new ATOM 0 HD22 ASN A 37 15.235 7.419 4.890 1.00 0.00 H new ATOM 541 N PRO A 38 11.481 7.141 2.513 1.00 0.00 N ATOM 542 CA PRO A 38 10.468 7.727 1.615 1.00 0.00 C ATOM 543 C PRO A 38 10.962 7.981 0.189 1.00 0.00 C ATOM 544 O PRO A 38 10.158 8.102 -0.731 1.00 0.00 O ATOM 545 CB PRO A 38 10.123 9.053 2.291 1.00 0.00 C ATOM 546 CG PRO A 38 10.418 8.831 3.731 1.00 0.00 C ATOM 547 CD PRO A 38 11.604 7.910 3.769 1.00 0.00 C ATOM 0 HA PRO A 38 9.628 7.045 1.487 1.00 0.00 H new ATOM 0 HB2 PRO A 38 10.719 9.871 1.886 1.00 0.00 H new ATOM 0 HB3 PRO A 38 9.076 9.315 2.137 1.00 0.00 H new ATOM 0 HG2 PRO A 38 10.638 9.772 4.235 1.00 0.00 H new ATOM 0 HG3 PRO A 38 9.563 8.388 4.242 1.00 0.00 H new ATOM 0 HD2 PRO A 38 12.542 8.464 3.811 1.00 0.00 H new ATOM 0 HD3 PRO A 38 11.579 7.259 4.643 1.00 0.00 H new ATOM 555 N LEU A 39 12.274 8.072 0.004 1.00 0.00 N ATOM 556 CA LEU A 39 12.841 8.304 -1.324 1.00 0.00 C ATOM 557 C LEU A 39 13.053 6.991 -2.074 1.00 0.00 C ATOM 558 O LEU A 39 13.386 6.985 -3.259 1.00 0.00 O ATOM 559 CB LEU A 39 14.167 9.071 -1.230 1.00 0.00 C ATOM 560 CG LEU A 39 14.053 10.576 -0.959 1.00 0.00 C ATOM 561 CD1 LEU A 39 13.108 11.224 -1.956 1.00 0.00 C ATOM 562 CD2 LEU A 39 13.600 10.850 0.466 1.00 0.00 C ATOM 0 H LEU A 39 12.964 7.990 0.751 1.00 0.00 H new ATOM 0 HA LEU A 39 12.125 8.908 -1.881 1.00 0.00 H new ATOM 0 HB2 LEU A 39 14.768 8.623 -0.438 1.00 0.00 H new ATOM 0 HB3 LEU A 39 14.713 8.930 -2.163 1.00 0.00 H new ATOM 0 HG LEU A 39 15.043 11.015 -1.081 1.00 0.00 H new ATOM 0 HD11 LEU A 39 13.038 12.292 -1.750 1.00 0.00 H new ATOM 0 HD12 LEU A 39 13.487 11.074 -2.967 1.00 0.00 H new ATOM 0 HD13 LEU A 39 12.120 10.772 -1.868 1.00 0.00 H new ATOM 0 HD21 LEU A 39 13.529 11.926 0.625 1.00 0.00 H new ATOM 0 HD22 LEU A 39 12.624 10.394 0.632 1.00 0.00 H new ATOM 0 HD23 LEU A 39 14.321 10.427 1.165 1.00 0.00 H new ATOM 574 N SER A 40 12.858 5.881 -1.386 1.00 0.00 N ATOM 575 CA SER A 40 13.077 4.576 -1.984 1.00 0.00 C ATOM 576 C SER A 40 11.836 3.694 -1.863 1.00 0.00 C ATOM 577 O SER A 40 11.889 2.501 -2.152 1.00 0.00 O ATOM 578 CB SER A 40 14.272 3.901 -1.309 1.00 0.00 C ATOM 579 OG SER A 40 15.404 4.764 -1.299 1.00 0.00 O ATOM 0 H SER A 40 12.549 5.856 -0.414 1.00 0.00 H new ATOM 0 HA SER A 40 13.284 4.713 -3.045 1.00 0.00 H new ATOM 0 HB2 SER A 40 14.010 3.626 -0.287 1.00 0.00 H new ATOM 0 HB3 SER A 40 14.518 2.978 -1.834 1.00 0.00 H new ATOM 0 HG SER A 40 16.156 4.313 -0.861 1.00 0.00 H new ATOM 585 N ILE A 41 10.715 4.288 -1.457 1.00 0.00 N ATOM 586 CA ILE A 41 9.489 3.529 -1.208 1.00 0.00 C ATOM 587 C ILE A 41 9.040 2.724 -2.427 1.00 0.00 C ATOM 588 O ILE A 41 8.658 1.562 -2.300 1.00 0.00 O ATOM 589 CB ILE A 41 8.321 4.436 -0.750 1.00 0.00 C ATOM 590 CG1 ILE A 41 8.216 5.684 -1.638 1.00 0.00 C ATOM 591 CG2 ILE A 41 8.476 4.818 0.717 1.00 0.00 C ATOM 592 CD1 ILE A 41 7.032 6.569 -1.311 1.00 0.00 C ATOM 0 H ILE A 41 10.630 5.291 -1.293 1.00 0.00 H new ATOM 0 HA ILE A 41 9.741 2.838 -0.404 1.00 0.00 H new ATOM 0 HB ILE A 41 7.393 3.873 -0.854 1.00 0.00 H new ATOM 0 HG12 ILE A 41 9.132 6.267 -1.539 1.00 0.00 H new ATOM 0 HG13 ILE A 41 8.148 5.372 -2.680 1.00 0.00 H new ATOM 0 HG21 ILE A 41 7.644 5.455 1.017 1.00 0.00 H new ATOM 0 HG22 ILE A 41 8.481 3.916 1.329 1.00 0.00 H new ATOM 0 HG23 ILE A 41 9.414 5.356 0.856 1.00 0.00 H new ATOM 0 HD11 ILE A 41 7.025 7.430 -1.980 1.00 0.00 H new ATOM 0 HD12 ILE A 41 6.109 6.003 -1.438 1.00 0.00 H new ATOM 0 HD13 ILE A 41 7.108 6.912 -0.279 1.00 0.00 H new ATOM 604 N ASP A 42 9.119 3.335 -3.608 1.00 0.00 N ATOM 605 CA ASP A 42 8.585 2.736 -4.836 1.00 0.00 C ATOM 606 C ASP A 42 9.276 1.414 -5.168 1.00 0.00 C ATOM 607 O ASP A 42 8.740 0.593 -5.911 1.00 0.00 O ATOM 608 CB ASP A 42 8.713 3.704 -6.018 1.00 0.00 C ATOM 609 CG ASP A 42 10.139 3.869 -6.502 1.00 0.00 C ATOM 610 OD1 ASP A 42 10.900 4.636 -5.880 1.00 0.00 O ATOM 611 OD2 ASP A 42 10.501 3.243 -7.521 1.00 0.00 O ATOM 0 H ASP A 42 9.550 4.250 -3.743 1.00 0.00 H new ATOM 0 HA ASP A 42 7.529 2.531 -4.659 1.00 0.00 H new ATOM 0 HB2 ASP A 42 8.096 3.345 -6.842 1.00 0.00 H new ATOM 0 HB3 ASP A 42 8.320 4.678 -5.726 1.00 0.00 H new ATOM 616 N TYR A 43 10.468 1.221 -4.623 1.00 0.00 N ATOM 617 CA TYR A 43 11.242 0.013 -4.870 1.00 0.00 C ATOM 618 C TYR A 43 10.706 -1.154 -4.034 1.00 0.00 C ATOM 619 O TYR A 43 10.923 -2.320 -4.368 1.00 0.00 O ATOM 620 CB TYR A 43 12.714 0.277 -4.533 1.00 0.00 C ATOM 621 CG TYR A 43 13.685 -0.721 -5.124 1.00 0.00 C ATOM 622 CD1 TYR A 43 13.977 -1.914 -4.475 1.00 0.00 C ATOM 623 CD2 TYR A 43 14.319 -0.458 -6.331 1.00 0.00 C ATOM 624 CE1 TYR A 43 14.873 -2.815 -5.010 1.00 0.00 C ATOM 625 CE2 TYR A 43 15.216 -1.357 -6.875 1.00 0.00 C ATOM 626 CZ TYR A 43 15.488 -2.533 -6.212 1.00 0.00 C ATOM 627 OH TYR A 43 16.389 -3.426 -6.744 1.00 0.00 O ATOM 0 H TYR A 43 10.923 1.891 -4.002 1.00 0.00 H new ATOM 0 HA TYR A 43 11.153 -0.258 -5.922 1.00 0.00 H new ATOM 0 HB2 TYR A 43 12.980 1.274 -4.884 1.00 0.00 H new ATOM 0 HB3 TYR A 43 12.830 0.279 -3.449 1.00 0.00 H new ATOM 0 HD1 TYR A 43 13.494 -2.139 -3.536 1.00 0.00 H new ATOM 0 HD2 TYR A 43 14.108 0.464 -6.853 1.00 0.00 H new ATOM 0 HE1 TYR A 43 15.092 -3.736 -4.491 1.00 0.00 H new ATOM 0 HE2 TYR A 43 15.701 -1.139 -7.815 1.00 0.00 H new ATOM 0 HH TYR A 43 16.731 -3.078 -7.594 1.00 0.00 H new ATOM 637 N TYR A 44 9.996 -0.839 -2.955 1.00 0.00 N ATOM 638 CA TYR A 44 9.543 -1.863 -2.016 1.00 0.00 C ATOM 639 C TYR A 44 8.026 -1.911 -1.938 1.00 0.00 C ATOM 640 O TYR A 44 7.461 -2.686 -1.163 1.00 0.00 O ATOM 641 CB TYR A 44 10.128 -1.603 -0.631 1.00 0.00 C ATOM 642 CG TYR A 44 11.626 -1.442 -0.661 1.00 0.00 C ATOM 643 CD1 TYR A 44 12.192 -0.199 -0.874 1.00 0.00 C ATOM 644 CD2 TYR A 44 12.471 -2.532 -0.500 1.00 0.00 C ATOM 645 CE1 TYR A 44 13.554 -0.039 -0.939 1.00 0.00 C ATOM 646 CE2 TYR A 44 13.842 -2.379 -0.559 1.00 0.00 C ATOM 647 CZ TYR A 44 14.378 -1.129 -0.774 1.00 0.00 C ATOM 648 OH TYR A 44 15.744 -0.968 -0.840 1.00 0.00 O ATOM 0 H TYR A 44 9.722 0.112 -2.709 1.00 0.00 H new ATOM 0 HA TYR A 44 9.894 -2.829 -2.380 1.00 0.00 H new ATOM 0 HB2 TYR A 44 9.677 -0.703 -0.212 1.00 0.00 H new ATOM 0 HB3 TYR A 44 9.867 -2.428 0.031 1.00 0.00 H new ATOM 0 HD1 TYR A 44 11.551 0.662 -0.991 1.00 0.00 H new ATOM 0 HD2 TYR A 44 12.051 -3.512 -0.326 1.00 0.00 H new ATOM 0 HE1 TYR A 44 13.977 0.938 -1.119 1.00 0.00 H new ATOM 0 HE2 TYR A 44 14.490 -3.234 -0.437 1.00 0.00 H new ATOM 0 HH TYR A 44 16.182 -1.833 -0.702 1.00 0.00 H new ATOM 658 N TYR A 45 7.370 -1.073 -2.720 1.00 0.00 N ATOM 659 CA TYR A 45 5.916 -1.133 -2.822 1.00 0.00 C ATOM 660 C TYR A 45 5.473 -1.070 -4.275 1.00 0.00 C ATOM 661 O TYR A 45 6.141 -0.465 -5.116 1.00 0.00 O ATOM 662 CB TYR A 45 5.235 -0.015 -2.003 1.00 0.00 C ATOM 663 CG TYR A 45 5.007 1.299 -2.743 1.00 0.00 C ATOM 664 CD1 TYR A 45 3.939 1.456 -3.626 1.00 0.00 C ATOM 665 CD2 TYR A 45 5.848 2.383 -2.549 1.00 0.00 C ATOM 666 CE1 TYR A 45 3.727 2.650 -4.291 1.00 0.00 C ATOM 667 CE2 TYR A 45 5.639 3.584 -3.208 1.00 0.00 C ATOM 668 CZ TYR A 45 4.579 3.712 -4.080 1.00 0.00 C ATOM 669 OH TYR A 45 4.370 4.906 -4.740 1.00 0.00 O ATOM 0 H TYR A 45 7.810 -0.350 -3.289 1.00 0.00 H new ATOM 0 HA TYR A 45 5.603 -2.088 -2.401 1.00 0.00 H new ATOM 0 HB2 TYR A 45 4.272 -0.384 -1.649 1.00 0.00 H new ATOM 0 HB3 TYR A 45 5.843 0.186 -1.121 1.00 0.00 H new ATOM 0 HD1 TYR A 45 3.265 0.629 -3.794 1.00 0.00 H new ATOM 0 HD2 TYR A 45 6.683 2.290 -1.871 1.00 0.00 H new ATOM 0 HE1 TYR A 45 2.896 2.750 -4.974 1.00 0.00 H new ATOM 0 HE2 TYR A 45 6.305 4.417 -3.039 1.00 0.00 H new ATOM 0 HH TYR A 45 5.060 5.550 -4.477 1.00 0.00 H new ATOM 679 N GLN A 46 4.343 -1.694 -4.565 1.00 0.00 N ATOM 680 CA GLN A 46 3.760 -1.639 -5.894 1.00 0.00 C ATOM 681 C GLN A 46 2.301 -1.217 -5.810 1.00 0.00 C ATOM 682 O GLN A 46 1.533 -1.757 -5.009 1.00 0.00 O ATOM 683 CB GLN A 46 3.877 -2.989 -6.603 1.00 0.00 C ATOM 684 CG GLN A 46 5.310 -3.462 -6.782 1.00 0.00 C ATOM 685 CD GLN A 46 5.410 -4.714 -7.633 1.00 0.00 C ATOM 686 OE1 GLN A 46 4.608 -4.931 -8.542 1.00 0.00 O ATOM 687 NE2 GLN A 46 6.392 -5.549 -7.340 1.00 0.00 N ATOM 0 H GLN A 46 3.810 -2.247 -3.894 1.00 0.00 H new ATOM 0 HA GLN A 46 4.312 -0.901 -6.476 1.00 0.00 H new ATOM 0 HB2 GLN A 46 3.325 -3.737 -6.034 1.00 0.00 H new ATOM 0 HB3 GLN A 46 3.402 -2.918 -7.582 1.00 0.00 H new ATOM 0 HG2 GLN A 46 5.896 -2.667 -7.242 1.00 0.00 H new ATOM 0 HG3 GLN A 46 5.749 -3.656 -5.804 1.00 0.00 H new ATOM 0 HE21 GLN A 46 7.036 -5.332 -6.579 1.00 0.00 H new ATOM 0 HE22 GLN A 46 6.506 -6.410 -7.875 1.00 0.00 H new ATOM 696 N SER A 47 1.931 -0.235 -6.615 1.00 0.00 N ATOM 697 CA SER A 47 0.555 0.227 -6.667 1.00 0.00 C ATOM 698 C SER A 47 -0.228 -0.577 -7.698 1.00 0.00 C ATOM 699 O SER A 47 0.178 -0.676 -8.854 1.00 0.00 O ATOM 700 CB SER A 47 0.511 1.712 -7.033 1.00 0.00 C ATOM 701 OG SER A 47 1.340 2.479 -6.177 1.00 0.00 O ATOM 0 H SER A 47 2.566 0.258 -7.242 1.00 0.00 H new ATOM 0 HA SER A 47 0.103 0.088 -5.685 1.00 0.00 H new ATOM 0 HB2 SER A 47 0.832 1.843 -8.066 1.00 0.00 H new ATOM 0 HB3 SER A 47 -0.515 2.074 -6.969 1.00 0.00 H new ATOM 0 HG SER A 47 1.293 3.423 -6.436 1.00 0.00 H new ATOM 707 N PHE A 48 -1.344 -1.148 -7.280 1.00 0.00 N ATOM 708 CA PHE A 48 -2.192 -1.902 -8.186 1.00 0.00 C ATOM 709 C PHE A 48 -3.593 -1.304 -8.191 1.00 0.00 C ATOM 710 O PHE A 48 -4.134 -0.963 -7.139 1.00 0.00 O ATOM 711 CB PHE A 48 -2.235 -3.375 -7.764 1.00 0.00 C ATOM 712 CG PHE A 48 -2.901 -4.281 -8.763 1.00 0.00 C ATOM 713 CD1 PHE A 48 -2.191 -4.779 -9.843 1.00 0.00 C ATOM 714 CD2 PHE A 48 -4.232 -4.638 -8.620 1.00 0.00 C ATOM 715 CE1 PHE A 48 -2.796 -5.615 -10.762 1.00 0.00 C ATOM 716 CE2 PHE A 48 -4.843 -5.472 -9.538 1.00 0.00 C ATOM 717 CZ PHE A 48 -4.124 -5.962 -10.610 1.00 0.00 C ATOM 0 H PHE A 48 -1.684 -1.104 -6.319 1.00 0.00 H new ATOM 0 HA PHE A 48 -1.782 -1.847 -9.195 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -1.216 -3.724 -7.596 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -2.760 -3.454 -6.812 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -1.152 -4.511 -9.968 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -4.799 -4.260 -7.782 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -2.230 -5.997 -11.599 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -5.882 -5.740 -9.417 1.00 0.00 H new ATOM 0 HZ PHE A 48 -4.599 -6.615 -11.328 1.00 0.00 H new ATOM 727 N SER A 49 -4.175 -1.169 -9.367 1.00 0.00 N ATOM 728 CA SER A 49 -5.502 -0.599 -9.487 1.00 0.00 C ATOM 729 C SER A 49 -6.556 -1.701 -9.557 1.00 0.00 C ATOM 730 O SER A 49 -6.455 -2.626 -10.365 1.00 0.00 O ATOM 731 CB SER A 49 -5.578 0.289 -10.730 1.00 0.00 C ATOM 732 OG SER A 49 -6.802 1.005 -10.781 1.00 0.00 O ATOM 0 H SER A 49 -3.750 -1.446 -10.252 1.00 0.00 H new ATOM 0 HA SER A 49 -5.702 0.009 -8.605 1.00 0.00 H new ATOM 0 HB2 SER A 49 -4.744 0.991 -10.729 1.00 0.00 H new ATOM 0 HB3 SER A 49 -5.477 -0.325 -11.625 1.00 0.00 H new ATOM 0 HG SER A 49 -6.820 1.565 -11.585 1.00 0.00 H new ATOM 738 N VAL A 50 -7.560 -1.595 -8.699 1.00 0.00 N ATOM 739 CA VAL A 50 -8.689 -2.510 -8.714 1.00 0.00 C ATOM 740 C VAL A 50 -9.955 -1.739 -9.059 1.00 0.00 C ATOM 741 O VAL A 50 -9.979 -0.513 -8.965 1.00 0.00 O ATOM 742 CB VAL A 50 -8.870 -3.239 -7.363 1.00 0.00 C ATOM 743 CG1 VAL A 50 -7.678 -4.141 -7.078 1.00 0.00 C ATOM 744 CG2 VAL A 50 -9.077 -2.251 -6.220 1.00 0.00 C ATOM 0 H VAL A 50 -7.614 -0.876 -7.977 1.00 0.00 H new ATOM 0 HA VAL A 50 -8.492 -3.272 -9.468 1.00 0.00 H new ATOM 0 HB VAL A 50 -9.766 -3.856 -7.437 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -7.824 -4.646 -6.123 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -7.586 -4.884 -7.870 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -6.769 -3.541 -7.036 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -9.201 -2.797 -5.285 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -8.210 -1.595 -6.145 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -9.968 -1.654 -6.412 1.00 0.00 H new ATOM 754 N SER A 51 -10.993 -2.436 -9.478 1.00 0.00 N ATOM 755 CA SER A 51 -12.217 -1.775 -9.897 1.00 0.00 C ATOM 756 C SER A 51 -13.442 -2.552 -9.425 1.00 0.00 C ATOM 757 CB SER A 51 -12.225 -1.612 -11.418 1.00 0.00 C ATOM 758 OG SER A 51 -11.060 -0.930 -11.858 1.00 0.00 O ATOM 0 H SER A 51 -11.016 -3.454 -9.538 1.00 0.00 H new ATOM 0 HA SER A 51 -12.256 -0.786 -9.440 1.00 0.00 H new ATOM 0 HB2 SER A 51 -12.280 -2.592 -11.893 1.00 0.00 H new ATOM 0 HB3 SER A 51 -13.113 -1.059 -11.724 1.00 0.00 H new ATOM 0 HG SER A 51 -11.084 -0.837 -12.833 1.00 0.00 H new TER 764 SER A 51 HETATM 765 ZN ZN A 101 4.926 -4.302 5.241 1.00 0.00 ZN