USER MOD reduce.3.24.130724 H: found=0, std=0, add=619, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 621 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 78 HIS : +bothHN:sc= -0.816 K(o=-0.75,f=-3.2) USER MOD Set 1.2: B 208 THR OG1 : rot -170:sc= 0.0658 USER MOD Single : A 13 THR OG1 : rot -27:sc= 0.148 USER MOD Single : A 20 LYS NZ :NH3+ 135:sc= 1.24 (180deg=-0.23) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 180:sc= -0.298 USER MOD Single : A 30 THR OG1 : rot 180:sc= -0.0669 USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 SER OG : rot 180:sc= 0.00332 USER MOD Single : A 60 HIS : no HD1:sc=-0.00319 X(o=-0.0032,f=-0.0091) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 ASN : amide:sc= 0.943 K(o=0.94,f=-6.6!) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 77 THR OG1 : rot 180:sc= 0.0761 USER MOD Single : A 79 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.0131) USER MOD Single : A 80 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 84 THR OG1 : rot 76:sc= 1.27 USER MOD Single : A 87 ASN : amide:sc= 0.227 K(o=0.23,f=-7.6!) USER MOD Single : A 88 THR OG1 : rot -126:sc= 1.2 USER MOD Single : A 90 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 93 HIS : no HD1:sc=-0.00989 X(o=-0.0099,f=-0.26) USER MOD Single : A 98 LYS NZ :NH3+ -173:sc= 1.25 (180deg=1.08) USER MOD Single : B 209 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 73 N THR A 13 -7.177 -7.882 -6.165 1.00 0.00 N ATOM 74 CA THR A 13 -6.324 -6.754 -5.956 1.00 0.00 C ATOM 75 C THR A 13 -7.080 -5.479 -6.108 1.00 0.00 C ATOM 76 O THR A 13 -8.112 -5.406 -6.773 1.00 0.00 O ATOM 77 CB THR A 13 -5.137 -6.653 -6.868 1.00 0.00 C ATOM 78 OG1 THR A 13 -5.467 -6.951 -8.217 1.00 0.00 O ATOM 79 CG2 THR A 13 -4.048 -7.641 -6.419 1.00 0.00 C ATOM 0 HA THR A 13 -5.954 -6.912 -4.943 1.00 0.00 H new ATOM 0 HB THR A 13 -4.784 -5.623 -6.812 1.00 0.00 H new ATOM 0 HG1 THR A 13 -6.241 -7.552 -8.239 1.00 0.00 H new ATOM 0 HG21 THR A 13 -3.189 -7.563 -7.085 1.00 0.00 H new ATOM 0 HG22 THR A 13 -3.740 -7.405 -5.400 1.00 0.00 H new ATOM 0 HG23 THR A 13 -4.442 -8.657 -6.453 1.00 0.00 H new ATOM 87 N PHE A 14 -6.573 -4.412 -5.466 1.00 0.00 N ATOM 88 CA PHE A 14 -7.134 -3.097 -5.516 1.00 0.00 C ATOM 89 C PHE A 14 -6.029 -2.105 -5.641 1.00 0.00 C ATOM 90 O PHE A 14 -5.125 -2.040 -4.809 1.00 0.00 O ATOM 91 CB PHE A 14 -8.118 -2.709 -4.399 1.00 0.00 C ATOM 92 CG PHE A 14 -7.889 -3.174 -3.002 1.00 0.00 C ATOM 93 CD1 PHE A 14 -7.663 -4.486 -2.658 1.00 0.00 C ATOM 94 CD2 PHE A 14 -8.061 -2.269 -1.982 1.00 0.00 C ATOM 95 CE1 PHE A 14 -7.530 -4.874 -1.345 1.00 0.00 C ATOM 96 CE2 PHE A 14 -7.889 -2.627 -0.665 1.00 0.00 C ATOM 97 CZ PHE A 14 -7.628 -3.939 -0.343 1.00 0.00 C ATOM 0 H PHE A 14 -5.735 -4.468 -4.887 1.00 0.00 H new ATOM 0 HA PHE A 14 -7.776 -3.095 -6.397 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -8.165 -1.620 -4.373 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -9.104 -3.063 -4.700 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -7.588 -5.230 -3.437 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -8.338 -1.253 -2.220 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -7.349 -5.911 -1.102 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -7.959 -1.881 0.113 1.00 0.00 H new ATOM 0 HZ PHE A 14 -7.501 -4.231 0.689 1.00 0.00 H new ATOM 107 N GLU A 15 -6.047 -1.294 -6.713 1.00 0.00 N ATOM 108 CA GLU A 15 -5.063 -0.291 -6.981 1.00 0.00 C ATOM 109 C GLU A 15 -5.570 1.040 -6.545 1.00 0.00 C ATOM 110 O GLU A 15 -6.035 1.847 -7.349 1.00 0.00 O ATOM 111 CB GLU A 15 -4.610 -0.337 -8.450 1.00 0.00 C ATOM 112 CG GLU A 15 -4.406 -1.754 -8.994 1.00 0.00 C ATOM 113 CD GLU A 15 -3.857 -1.828 -10.412 1.00 0.00 C ATOM 114 OE1 GLU A 15 -4.336 -1.084 -11.308 1.00 0.00 O ATOM 115 OE2 GLU A 15 -2.963 -2.678 -10.671 1.00 0.00 O ATOM 0 H GLU A 15 -6.778 -1.339 -7.423 1.00 0.00 H new ATOM 0 HA GLU A 15 -4.163 -0.490 -6.399 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -5.351 0.174 -9.064 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -3.677 0.217 -8.549 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -3.726 -2.287 -8.329 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -5.360 -2.280 -8.962 1.00 0.00 H new ATOM 122 N VAL A 16 -5.529 1.306 -5.228 1.00 0.00 N ATOM 123 CA VAL A 16 -6.090 2.414 -4.518 1.00 0.00 C ATOM 124 C VAL A 16 -5.213 3.619 -4.517 1.00 0.00 C ATOM 125 O VAL A 16 -4.031 3.518 -4.190 1.00 0.00 O ATOM 126 CB VAL A 16 -6.235 2.016 -3.080 1.00 0.00 C ATOM 127 CG1 VAL A 16 -6.655 3.169 -2.153 1.00 0.00 C ATOM 128 CG2 VAL A 16 -7.269 0.882 -2.971 1.00 0.00 C ATOM 0 H VAL A 16 -5.048 0.671 -4.591 1.00 0.00 H new ATOM 0 HA VAL A 16 -7.030 2.660 -5.011 1.00 0.00 H new ATOM 0 HB VAL A 16 -5.248 1.693 -2.748 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -6.739 2.802 -1.130 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -5.906 3.960 -2.194 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -7.618 3.564 -2.477 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -7.378 0.589 -1.927 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -8.229 1.227 -3.353 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -6.933 0.026 -3.555 1.00 0.00 H new ATOM 138 N GLU A 17 -5.703 4.836 -4.816 1.00 0.00 N ATOM 139 CA GLU A 17 -4.892 6.013 -4.855 1.00 0.00 C ATOM 140 C GLU A 17 -5.211 6.942 -3.735 1.00 0.00 C ATOM 141 O GLU A 17 -6.355 7.324 -3.493 1.00 0.00 O ATOM 142 CB GLU A 17 -4.907 6.651 -6.253 1.00 0.00 C ATOM 143 CG GLU A 17 -5.886 7.789 -6.547 1.00 0.00 C ATOM 144 CD GLU A 17 -7.378 7.507 -6.439 1.00 0.00 C ATOM 145 OE1 GLU A 17 -7.811 6.339 -6.249 1.00 0.00 O ATOM 146 OE2 GLU A 17 -8.156 8.494 -6.523 1.00 0.00 O ATOM 0 H GLU A 17 -6.685 5.005 -5.035 1.00 0.00 H new ATOM 0 HA GLU A 17 -3.853 5.730 -4.684 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -3.902 7.023 -6.454 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -5.102 5.857 -6.973 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -5.654 8.610 -5.869 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -5.688 8.144 -7.558 1.00 0.00 H new ATOM 153 N LEU A 18 -4.186 7.307 -2.944 1.00 0.00 N ATOM 154 CA LEU A 18 -4.348 8.080 -1.751 1.00 0.00 C ATOM 155 C LEU A 18 -3.463 9.278 -1.785 1.00 0.00 C ATOM 156 O LEU A 18 -2.373 9.245 -2.355 1.00 0.00 O ATOM 157 CB LEU A 18 -3.887 7.290 -0.514 1.00 0.00 C ATOM 158 CG LEU A 18 -4.562 5.916 -0.369 1.00 0.00 C ATOM 159 CD1 LEU A 18 -3.911 5.187 0.818 1.00 0.00 C ATOM 160 CD2 LEU A 18 -6.091 6.029 -0.255 1.00 0.00 C ATOM 0 H LEU A 18 -3.217 7.057 -3.140 1.00 0.00 H new ATOM 0 HA LEU A 18 -5.405 8.342 -1.696 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -2.807 7.150 -0.565 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -4.090 7.881 0.379 1.00 0.00 H new ATOM 0 HG LEU A 18 -4.403 5.325 -1.271 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -4.374 4.208 0.942 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -2.845 5.063 0.629 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -4.053 5.772 1.726 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -6.523 5.033 -0.154 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -6.347 6.626 0.620 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -6.488 6.508 -1.150 1.00 0.00 H new ATOM 172 N ALA A 19 -3.884 10.365 -1.115 1.00 0.00 N ATOM 173 CA ALA A 19 -3.068 11.518 -0.885 1.00 0.00 C ATOM 174 C ALA A 19 -2.790 11.624 0.574 1.00 0.00 C ATOM 175 O ALA A 19 -3.654 11.960 1.383 1.00 0.00 O ATOM 176 CB ALA A 19 -3.719 12.779 -1.478 1.00 0.00 C ATOM 0 H ALA A 19 -4.821 10.445 -0.721 1.00 0.00 H new ATOM 0 HA ALA A 19 -2.112 11.417 -1.399 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -3.079 13.641 -1.290 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -3.848 12.651 -2.553 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -4.691 12.940 -1.012 1.00 0.00 H new ATOM 182 N LYS A 20 -1.556 11.275 0.978 1.00 0.00 N ATOM 183 CA LYS A 20 -1.162 11.177 2.350 1.00 0.00 C ATOM 184 C LYS A 20 -1.024 12.476 3.066 1.00 0.00 C ATOM 185 O LYS A 20 -0.544 13.474 2.530 1.00 0.00 O ATOM 186 CB LYS A 20 0.102 10.317 2.523 1.00 0.00 C ATOM 187 CG LYS A 20 1.475 10.915 2.213 1.00 0.00 C ATOM 188 CD LYS A 20 1.675 11.236 0.730 1.00 0.00 C ATOM 189 CE LYS A 20 3.137 11.234 0.278 1.00 0.00 C ATOM 190 NZ LYS A 20 3.815 12.509 0.599 1.00 0.00 N ATOM 0 H LYS A 20 -0.804 11.053 0.326 1.00 0.00 H new ATOM 0 HA LYS A 20 -2.002 10.675 2.831 1.00 0.00 H new ATOM 0 HB2 LYS A 20 0.123 9.973 3.557 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -0.017 9.433 1.896 1.00 0.00 H new ATOM 0 HG2 LYS A 20 1.606 11.827 2.796 1.00 0.00 H new ATOM 0 HG3 LYS A 20 2.248 10.217 2.534 1.00 0.00 H new ATOM 0 HD2 LYS A 20 1.122 10.509 0.135 1.00 0.00 H new ATOM 0 HD3 LYS A 20 1.243 12.215 0.520 1.00 0.00 H new ATOM 0 HE2 LYS A 20 3.665 10.411 0.760 1.00 0.00 H new ATOM 0 HE3 LYS A 20 3.185 11.058 -0.797 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 4.750 12.311 1.009 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 3.929 13.070 -0.269 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 3.243 13.044 1.284 1.00 0.00 H new ATOM 204 N THR A 21 -1.461 12.512 4.337 1.00 0.00 N ATOM 205 CA THR A 21 -1.571 13.730 5.079 1.00 0.00 C ATOM 206 C THR A 21 -0.392 13.893 5.975 1.00 0.00 C ATOM 207 O THR A 21 -0.296 13.349 7.073 1.00 0.00 O ATOM 208 CB THR A 21 -2.921 13.895 5.712 1.00 0.00 C ATOM 209 OG1 THR A 21 -3.129 15.234 6.137 1.00 0.00 O ATOM 210 CG2 THR A 21 -3.192 12.966 6.907 1.00 0.00 C ATOM 0 H THR A 21 -1.743 11.682 4.859 1.00 0.00 H new ATOM 0 HA THR A 21 -1.528 14.581 4.399 1.00 0.00 H new ATOM 0 HB THR A 21 -3.618 13.619 4.921 1.00 0.00 H new ATOM 0 HG1 THR A 21 -4.017 15.314 6.544 1.00 0.00 H new ATOM 0 HG21 THR A 21 -4.191 13.158 7.298 1.00 0.00 H new ATOM 0 HG22 THR A 21 -3.122 11.927 6.584 1.00 0.00 H new ATOM 0 HG23 THR A 21 -2.455 13.153 7.688 1.00 0.00 H new ATOM 218 N ASP A 22 0.612 14.640 5.481 1.00 0.00 N ATOM 219 CA ASP A 22 1.891 14.861 6.083 1.00 0.00 C ATOM 220 C ASP A 22 2.647 13.610 6.373 1.00 0.00 C ATOM 221 O ASP A 22 3.003 13.312 7.513 1.00 0.00 O ATOM 222 CB ASP A 22 1.728 15.790 7.298 1.00 0.00 C ATOM 223 CG ASP A 22 3.017 16.486 7.709 1.00 0.00 C ATOM 224 OD1 ASP A 22 3.573 17.243 6.867 1.00 0.00 O ATOM 225 OD2 ASP A 22 3.445 16.353 8.887 1.00 0.00 O ATOM 0 H ASP A 22 0.521 15.128 4.590 1.00 0.00 H new ATOM 0 HA ASP A 22 2.527 15.365 5.355 1.00 0.00 H new ATOM 0 HB2 ASP A 22 0.974 16.544 7.070 1.00 0.00 H new ATOM 0 HB3 ASP A 22 1.353 15.210 8.141 1.00 0.00 H new ATOM 230 N GLY A 23 2.906 12.800 5.332 1.00 0.00 N ATOM 231 CA GLY A 23 3.583 11.546 5.444 1.00 0.00 C ATOM 232 C GLY A 23 2.869 10.533 6.271 1.00 0.00 C ATOM 233 O GLY A 23 3.430 9.976 7.214 1.00 0.00 O ATOM 0 H GLY A 23 2.634 13.027 4.376 1.00 0.00 H new ATOM 0 HA2 GLY A 23 3.736 11.139 4.445 1.00 0.00 H new ATOM 0 HA3 GLY A 23 4.570 11.717 5.873 1.00 0.00 H new ATOM 237 N SER A 24 1.584 10.286 5.960 1.00 0.00 N ATOM 238 CA SER A 24 0.724 9.477 6.766 1.00 0.00 C ATOM 239 C SER A 24 -0.501 9.187 5.969 1.00 0.00 C ATOM 240 O SER A 24 -1.436 9.977 5.850 1.00 0.00 O ATOM 241 CB SER A 24 0.358 10.105 8.123 1.00 0.00 C ATOM 242 OG SER A 24 -0.470 9.270 8.918 1.00 0.00 O ATOM 0 H SER A 24 1.131 10.659 5.126 1.00 0.00 H new ATOM 0 HA SER A 24 1.261 8.563 7.021 1.00 0.00 H new ATOM 0 HB2 SER A 24 1.273 10.328 8.672 1.00 0.00 H new ATOM 0 HB3 SER A 24 -0.150 11.054 7.952 1.00 0.00 H new ATOM 0 HG SER A 24 -0.668 9.718 9.766 1.00 0.00 H new ATOM 248 N LEU A 25 -0.508 7.990 5.355 1.00 0.00 N ATOM 249 CA LEU A 25 -1.629 7.369 4.721 1.00 0.00 C ATOM 250 C LEU A 25 -2.530 6.896 5.809 1.00 0.00 C ATOM 251 O LEU A 25 -3.752 7.038 5.787 1.00 0.00 O ATOM 252 CB LEU A 25 -1.170 6.115 3.958 1.00 0.00 C ATOM 253 CG LEU A 25 0.059 6.294 3.049 1.00 0.00 C ATOM 254 CD1 LEU A 25 0.746 4.930 2.871 1.00 0.00 C ATOM 255 CD2 LEU A 25 -0.270 6.967 1.707 1.00 0.00 C ATOM 0 H LEU A 25 0.333 7.415 5.298 1.00 0.00 H new ATOM 0 HA LEU A 25 -2.109 8.071 4.040 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -0.950 5.332 4.684 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -2.001 5.760 3.348 1.00 0.00 H new ATOM 0 HG LEU A 25 0.749 6.984 3.535 1.00 0.00 H new ATOM 0 HD11 LEU A 25 1.619 5.043 2.228 1.00 0.00 H new ATOM 0 HD12 LEU A 25 1.058 4.550 3.844 1.00 0.00 H new ATOM 0 HD13 LEU A 25 0.048 4.228 2.414 1.00 0.00 H new ATOM 0 HD21 LEU A 25 0.640 7.063 1.115 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -0.994 6.360 1.164 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -0.690 7.956 1.889 1.00 0.00 H new ATOM 267 N GLY A 26 -1.893 6.322 6.845 1.00 0.00 N ATOM 268 CA GLY A 26 -2.533 5.929 8.063 1.00 0.00 C ATOM 269 C GLY A 26 -2.562 4.446 8.205 1.00 0.00 C ATOM 270 O GLY A 26 -3.569 3.868 8.608 1.00 0.00 O ATOM 0 H GLY A 26 -0.893 6.124 6.834 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -2.007 6.367 8.911 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -3.551 6.318 8.084 1.00 0.00 H new ATOM 274 N ILE A 27 -1.418 3.813 7.885 1.00 0.00 N ATOM 275 CA ILE A 27 -1.200 2.430 8.180 1.00 0.00 C ATOM 276 C ILE A 27 0.058 2.282 8.963 1.00 0.00 C ATOM 277 O ILE A 27 1.077 2.911 8.677 1.00 0.00 O ATOM 278 CB ILE A 27 -1.206 1.588 6.939 1.00 0.00 C ATOM 279 CG1 ILE A 27 -0.193 2.078 5.890 1.00 0.00 C ATOM 280 CG2 ILE A 27 -2.651 1.602 6.413 1.00 0.00 C ATOM 281 CD1 ILE A 27 -0.094 1.175 4.661 1.00 0.00 C ATOM 0 H ILE A 27 -0.634 4.267 7.416 1.00 0.00 H new ATOM 0 HA ILE A 27 -2.026 2.063 8.789 1.00 0.00 H new ATOM 0 HB ILE A 27 -0.889 0.570 7.164 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -0.472 3.082 5.570 1.00 0.00 H new ATOM 0 HG13 ILE A 27 0.790 2.153 6.355 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -2.714 1.001 5.506 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -3.318 1.188 7.169 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -2.947 2.627 6.191 1.00 0.00 H new ATOM 0 HD11 ILE A 27 0.639 1.585 3.967 1.00 0.00 H new ATOM 0 HD12 ILE A 27 0.215 0.176 4.968 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -1.066 1.120 4.171 1.00 0.00 H new ATOM 293 N SER A 28 0.034 1.447 10.016 1.00 0.00 N ATOM 294 CA SER A 28 1.220 0.922 10.618 1.00 0.00 C ATOM 295 C SER A 28 1.739 -0.261 9.874 1.00 0.00 C ATOM 296 O SER A 28 1.074 -1.292 9.791 1.00 0.00 O ATOM 297 CB SER A 28 1.072 0.428 12.066 1.00 0.00 C ATOM 298 OG SER A 28 1.162 1.523 12.967 1.00 0.00 O ATOM 0 H SER A 28 -0.828 1.129 10.459 1.00 0.00 H new ATOM 0 HA SER A 28 1.886 1.784 10.593 1.00 0.00 H new ATOM 0 HB2 SER A 28 0.114 -0.077 12.190 1.00 0.00 H new ATOM 0 HB3 SER A 28 1.849 -0.303 12.290 1.00 0.00 H new ATOM 0 HG SER A 28 1.065 1.199 13.887 1.00 0.00 H new ATOM 304 N VAL A 29 2.964 -0.170 9.327 1.00 0.00 N ATOM 305 CA VAL A 29 3.495 -1.183 8.469 1.00 0.00 C ATOM 306 C VAL A 29 4.252 -2.288 9.124 1.00 0.00 C ATOM 307 O VAL A 29 5.269 -2.097 9.789 1.00 0.00 O ATOM 308 CB VAL A 29 4.259 -0.585 7.325 1.00 0.00 C ATOM 309 CG1 VAL A 29 3.253 0.101 6.385 1.00 0.00 C ATOM 310 CG2 VAL A 29 5.324 0.406 7.821 1.00 0.00 C ATOM 0 H VAL A 29 3.594 0.617 9.482 1.00 0.00 H new ATOM 0 HA VAL A 29 2.607 -1.687 8.088 1.00 0.00 H new ATOM 0 HB VAL A 29 4.792 -1.369 6.788 1.00 0.00 H new ATOM 0 HG11 VAL A 29 3.785 0.544 5.544 1.00 0.00 H new ATOM 0 HG12 VAL A 29 2.540 -0.636 6.016 1.00 0.00 H new ATOM 0 HG13 VAL A 29 2.720 0.881 6.929 1.00 0.00 H new ATOM 0 HG21 VAL A 29 5.860 0.822 6.968 1.00 0.00 H new ATOM 0 HG22 VAL A 29 4.842 1.212 8.374 1.00 0.00 H new ATOM 0 HG23 VAL A 29 6.027 -0.112 8.474 1.00 0.00 H new ATOM 320 N THR A 30 3.758 -3.523 8.927 1.00 0.00 N ATOM 321 CA THR A 30 4.249 -4.772 9.422 1.00 0.00 C ATOM 322 C THR A 30 4.611 -5.660 8.281 1.00 0.00 C ATOM 323 O THR A 30 4.216 -5.443 7.138 1.00 0.00 O ATOM 324 CB THR A 30 3.269 -5.460 10.325 1.00 0.00 C ATOM 325 OG1 THR A 30 3.686 -6.707 10.861 1.00 0.00 O ATOM 326 CG2 THR A 30 1.935 -5.724 9.605 1.00 0.00 C ATOM 0 H THR A 30 2.922 -3.658 8.358 1.00 0.00 H new ATOM 0 HA THR A 30 5.135 -4.559 10.021 1.00 0.00 H new ATOM 0 HB THR A 30 3.173 -4.755 11.151 1.00 0.00 H new ATOM 0 HG1 THR A 30 2.979 -7.069 11.435 1.00 0.00 H new ATOM 0 HG21 THR A 30 1.246 -6.224 10.286 1.00 0.00 H new ATOM 0 HG22 THR A 30 1.502 -4.777 9.282 1.00 0.00 H new ATOM 0 HG23 THR A 30 2.110 -6.358 8.736 1.00 0.00 H new ATOM 334 N GLY A 31 5.399 -6.715 8.555 1.00 0.00 N ATOM 335 CA GLY A 31 5.920 -7.616 7.575 1.00 0.00 C ATOM 336 C GLY A 31 7.233 -7.166 7.030 1.00 0.00 C ATOM 337 O GLY A 31 8.033 -6.542 7.724 1.00 0.00 O ATOM 0 H GLY A 31 5.686 -6.950 9.505 1.00 0.00 H new ATOM 0 HA2 GLY A 31 6.034 -8.605 8.019 1.00 0.00 H new ATOM 0 HA3 GLY A 31 5.205 -7.713 6.758 1.00 0.00 H new ATOM 341 N GLY A 32 7.504 -7.471 5.749 1.00 0.00 N ATOM 342 CA GLY A 32 8.715 -7.142 5.064 1.00 0.00 C ATOM 343 C GLY A 32 9.545 -8.358 4.832 1.00 0.00 C ATOM 344 O GLY A 32 9.420 -9.355 5.540 1.00 0.00 O ATOM 0 H GLY A 32 6.842 -7.975 5.159 1.00 0.00 H new ATOM 0 HA2 GLY A 32 8.481 -6.670 4.110 1.00 0.00 H new ATOM 0 HA3 GLY A 32 9.282 -6.417 5.648 1.00 0.00 H new ATOM 348 N VAL A 33 10.467 -8.329 3.853 1.00 0.00 N ATOM 349 CA VAL A 33 11.287 -9.449 3.507 1.00 0.00 C ATOM 350 C VAL A 33 12.181 -9.929 4.599 1.00 0.00 C ATOM 351 O VAL A 33 12.623 -11.077 4.594 1.00 0.00 O ATOM 352 CB VAL A 33 12.139 -9.235 2.292 1.00 0.00 C ATOM 353 CG1 VAL A 33 11.244 -8.978 1.068 1.00 0.00 C ATOM 354 CG2 VAL A 33 13.181 -8.120 2.481 1.00 0.00 C ATOM 0 H VAL A 33 10.648 -7.501 3.285 1.00 0.00 H new ATOM 0 HA VAL A 33 10.536 -10.211 3.300 1.00 0.00 H new ATOM 0 HB VAL A 33 12.714 -10.146 2.125 1.00 0.00 H new ATOM 0 HG11 VAL A 33 11.867 -8.823 0.187 1.00 0.00 H new ATOM 0 HG12 VAL A 33 10.594 -9.838 0.906 1.00 0.00 H new ATOM 0 HG13 VAL A 33 10.635 -8.091 1.242 1.00 0.00 H new ATOM 0 HG21 VAL A 33 13.767 -8.012 1.569 1.00 0.00 H new ATOM 0 HG22 VAL A 33 12.673 -7.181 2.700 1.00 0.00 H new ATOM 0 HG23 VAL A 33 13.842 -8.376 3.309 1.00 0.00 H new ATOM 467 N GLY A 41 6.574 -8.188 0.623 1.00 0.00 N ATOM 468 CA GLY A 41 5.644 -7.102 0.574 1.00 0.00 C ATOM 469 C GLY A 41 5.517 -6.568 1.958 1.00 0.00 C ATOM 470 O GLY A 41 6.146 -7.082 2.883 1.00 0.00 O ATOM 0 HA2 GLY A 41 5.994 -6.326 -0.107 1.00 0.00 H new ATOM 0 HA3 GLY A 41 4.677 -7.440 0.202 1.00 0.00 H new ATOM 474 N ILE A 42 4.684 -5.527 2.133 1.00 0.00 N ATOM 475 CA ILE A 42 4.408 -4.976 3.423 1.00 0.00 C ATOM 476 C ILE A 42 2.948 -5.149 3.662 1.00 0.00 C ATOM 477 O ILE A 42 2.194 -5.467 2.744 1.00 0.00 O ATOM 478 CB ILE A 42 4.954 -3.591 3.612 1.00 0.00 C ATOM 479 CG1 ILE A 42 5.403 -3.345 5.062 1.00 0.00 C ATOM 480 CG2 ILE A 42 4.010 -2.444 3.218 1.00 0.00 C ATOM 481 CD1 ILE A 42 6.642 -4.140 5.470 1.00 0.00 C ATOM 0 H ILE A 42 4.195 -5.061 1.369 1.00 0.00 H new ATOM 0 HA ILE A 42 4.946 -5.511 4.206 1.00 0.00 H new ATOM 0 HB ILE A 42 5.798 -3.571 2.922 1.00 0.00 H new ATOM 0 HG12 ILE A 42 5.606 -2.282 5.194 1.00 0.00 H new ATOM 0 HG13 ILE A 42 4.583 -3.599 5.734 1.00 0.00 H new ATOM 0 HG21 ILE A 42 4.504 -1.489 3.395 1.00 0.00 H new ATOM 0 HG22 ILE A 42 3.754 -2.530 2.162 1.00 0.00 H new ATOM 0 HG23 ILE A 42 3.101 -2.499 3.817 1.00 0.00 H new ATOM 0 HD11 ILE A 42 6.896 -3.912 6.505 1.00 0.00 H new ATOM 0 HD12 ILE A 42 6.439 -5.206 5.372 1.00 0.00 H new ATOM 0 HD13 ILE A 42 7.477 -3.869 4.824 1.00 0.00 H new ATOM 493 N TYR A 43 2.482 -5.050 4.919 1.00 0.00 N ATOM 494 CA TYR A 43 1.128 -5.350 5.268 1.00 0.00 C ATOM 495 C TYR A 43 0.731 -4.345 6.293 1.00 0.00 C ATOM 496 O TYR A 43 1.584 -3.688 6.889 1.00 0.00 O ATOM 497 CB TYR A 43 1.026 -6.727 5.944 1.00 0.00 C ATOM 498 CG TYR A 43 1.356 -7.879 5.058 1.00 0.00 C ATOM 499 CD1 TYR A 43 2.654 -8.191 4.730 1.00 0.00 C ATOM 500 CD2 TYR A 43 0.340 -8.700 4.626 1.00 0.00 C ATOM 501 CE1 TYR A 43 2.927 -9.286 3.944 1.00 0.00 C ATOM 502 CE2 TYR A 43 0.611 -9.825 3.884 1.00 0.00 C ATOM 503 CZ TYR A 43 1.910 -10.122 3.546 1.00 0.00 C ATOM 504 OH TYR A 43 2.204 -11.296 2.822 1.00 0.00 O ATOM 0 H TYR A 43 3.056 -4.756 5.709 1.00 0.00 H new ATOM 0 HA TYR A 43 0.506 -5.339 4.373 1.00 0.00 H new ATOM 0 HB2 TYR A 43 1.694 -6.745 6.805 1.00 0.00 H new ATOM 0 HB3 TYR A 43 0.013 -6.856 6.324 1.00 0.00 H new ATOM 0 HD1 TYR A 43 3.463 -7.573 5.091 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -0.683 -8.458 4.873 1.00 0.00 H new ATOM 0 HE1 TYR A 43 3.943 -9.490 3.638 1.00 0.00 H new ATOM 0 HE2 TYR A 43 -0.193 -10.473 3.568 1.00 0.00 H new ATOM 0 HH TYR A 43 1.372 -11.773 2.620 1.00 0.00 H new ATOM 514 N VAL A 44 -0.573 -4.193 6.583 1.00 0.00 N ATOM 515 CA VAL A 44 -1.019 -3.363 7.658 1.00 0.00 C ATOM 516 C VAL A 44 -1.108 -4.105 8.947 1.00 0.00 C ATOM 517 O VAL A 44 -1.619 -5.222 9.011 1.00 0.00 O ATOM 518 CB VAL A 44 -2.367 -2.760 7.396 1.00 0.00 C ATOM 519 CG1 VAL A 44 -2.612 -1.633 8.412 1.00 0.00 C ATOM 520 CG2 VAL A 44 -2.449 -2.228 5.956 1.00 0.00 C ATOM 0 H VAL A 44 -1.325 -4.650 6.067 1.00 0.00 H new ATOM 0 HA VAL A 44 -0.268 -2.577 7.730 1.00 0.00 H new ATOM 0 HB VAL A 44 -3.138 -3.522 7.510 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -3.590 -1.187 8.231 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -2.580 -2.041 9.422 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -1.840 -0.871 8.304 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -3.434 -1.794 5.784 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -1.685 -1.465 5.806 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -2.286 -3.047 5.256 1.00 0.00 H new ATOM 530 N LYS A 45 -0.627 -3.500 10.047 1.00 0.00 N ATOM 531 CA LYS A 45 -0.931 -3.926 11.378 1.00 0.00 C ATOM 532 C LYS A 45 -2.138 -3.196 11.855 1.00 0.00 C ATOM 533 O LYS A 45 -3.235 -3.747 11.928 1.00 0.00 O ATOM 534 CB LYS A 45 0.260 -3.735 12.334 1.00 0.00 C ATOM 535 CG LYS A 45 0.328 -4.715 13.507 1.00 0.00 C ATOM 536 CD LYS A 45 -0.777 -4.592 14.557 1.00 0.00 C ATOM 537 CE LYS A 45 -1.861 -5.670 14.488 1.00 0.00 C ATOM 538 NZ LYS A 45 -1.353 -6.956 15.017 1.00 0.00 N ATOM 0 H LYS A 45 -0.008 -2.690 10.010 1.00 0.00 H new ATOM 0 HA LYS A 45 -1.137 -4.996 11.365 1.00 0.00 H new ATOM 0 HB2 LYS A 45 1.182 -3.820 11.759 1.00 0.00 H new ATOM 0 HB3 LYS A 45 0.225 -2.721 12.732 1.00 0.00 H new ATOM 0 HG2 LYS A 45 0.309 -5.729 13.107 1.00 0.00 H new ATOM 0 HG3 LYS A 45 1.289 -4.587 14.005 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -0.321 -4.620 15.547 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -1.250 -3.616 14.451 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -2.733 -5.354 15.061 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -2.188 -5.799 13.456 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -2.103 -7.675 14.962 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -0.535 -7.265 14.453 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -1.063 -6.833 16.008 1.00 0.00 H new ATOM 552 N ALA A 46 -1.991 -1.895 12.166 1.00 0.00 N ATOM 553 CA ALA A 46 -3.047 -1.046 12.621 1.00 0.00 C ATOM 554 C ALA A 46 -3.471 -0.088 11.561 1.00 0.00 C ATOM 555 O ALA A 46 -2.666 0.663 11.013 1.00 0.00 O ATOM 556 CB ALA A 46 -2.594 -0.270 13.869 1.00 0.00 C ATOM 0 H ALA A 46 -1.094 -1.414 12.097 1.00 0.00 H new ATOM 0 HA ALA A 46 -3.901 -1.677 12.870 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -3.404 0.375 14.210 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -2.332 -0.973 14.660 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -1.724 0.339 13.623 1.00 0.00 H new ATOM 562 N ILE A 47 -4.781 -0.078 11.258 1.00 0.00 N ATOM 563 CA ILE A 47 -5.455 0.982 10.574 1.00 0.00 C ATOM 564 C ILE A 47 -5.780 2.009 11.604 1.00 0.00 C ATOM 565 O ILE A 47 -6.383 1.705 12.632 1.00 0.00 O ATOM 566 CB ILE A 47 -6.728 0.528 9.923 1.00 0.00 C ATOM 567 CG1 ILE A 47 -6.497 -0.603 8.906 1.00 0.00 C ATOM 568 CG2 ILE A 47 -7.475 1.694 9.252 1.00 0.00 C ATOM 569 CD1 ILE A 47 -5.771 -0.125 7.650 1.00 0.00 C ATOM 0 H ILE A 47 -5.402 -0.849 11.503 1.00 0.00 H new ATOM 0 HA ILE A 47 -4.813 1.365 9.781 1.00 0.00 H new ATOM 0 HB ILE A 47 -7.350 0.134 10.727 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -5.917 -1.397 9.377 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -7.457 -1.035 8.624 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -8.391 1.323 8.792 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -7.724 2.446 10.001 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -6.840 2.140 8.487 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -5.635 -0.964 6.967 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -6.362 0.649 7.160 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -4.798 0.281 7.925 1.00 0.00 H new ATOM 581 N ILE A 48 -5.362 3.269 11.385 1.00 0.00 N ATOM 582 CA ILE A 48 -5.712 4.338 12.266 1.00 0.00 C ATOM 583 C ILE A 48 -7.000 4.956 11.841 1.00 0.00 C ATOM 584 O ILE A 48 -7.314 4.883 10.655 1.00 0.00 O ATOM 585 CB ILE A 48 -4.661 5.404 12.348 1.00 0.00 C ATOM 586 CG1 ILE A 48 -4.440 6.152 11.023 1.00 0.00 C ATOM 587 CG2 ILE A 48 -3.402 4.750 12.943 1.00 0.00 C ATOM 588 CD1 ILE A 48 -3.210 7.059 11.039 1.00 0.00 C ATOM 0 H ILE A 48 -4.780 3.547 10.595 1.00 0.00 H new ATOM 0 HA ILE A 48 -5.808 3.896 13.258 1.00 0.00 H new ATOM 0 HB ILE A 48 -4.985 6.211 13.006 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -4.337 5.426 10.217 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -5.322 6.752 10.801 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -2.608 5.493 13.021 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -3.630 4.357 13.934 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -3.075 3.936 12.296 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -3.112 7.557 10.074 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -3.320 7.807 11.824 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -2.319 6.461 11.230 1.00 0.00 H new ATOM 643 N ALA A 52 -6.117 8.511 5.613 1.00 0.00 N ATOM 644 CA ALA A 52 -6.328 8.547 4.199 1.00 0.00 C ATOM 645 C ALA A 52 -6.579 7.174 3.677 1.00 0.00 C ATOM 646 O ALA A 52 -7.414 6.971 2.798 1.00 0.00 O ATOM 647 CB ALA A 52 -5.117 9.194 3.508 1.00 0.00 C ATOM 0 HA ALA A 52 -7.209 9.151 3.982 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -5.283 9.219 2.431 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -4.987 10.211 3.879 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -4.221 8.612 3.724 1.00 0.00 H new ATOM 653 N ALA A 53 -5.864 6.168 4.212 1.00 0.00 N ATOM 654 CA ALA A 53 -5.890 4.797 3.806 1.00 0.00 C ATOM 655 C ALA A 53 -7.104 4.028 4.200 1.00 0.00 C ATOM 656 O ALA A 53 -7.664 3.319 3.366 1.00 0.00 O ATOM 657 CB ALA A 53 -4.632 4.100 4.352 1.00 0.00 C ATOM 0 H ALA A 53 -5.220 6.327 4.987 1.00 0.00 H new ATOM 0 HA ALA A 53 -5.916 4.810 2.716 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -4.637 3.052 4.051 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -3.743 4.588 3.953 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -4.624 4.165 5.440 1.00 0.00 H new ATOM 663 N GLU A 54 -7.608 4.160 5.441 1.00 0.00 N ATOM 664 CA GLU A 54 -8.894 3.648 5.803 1.00 0.00 C ATOM 665 C GLU A 54 -9.954 4.142 4.880 1.00 0.00 C ATOM 666 O GLU A 54 -10.816 3.408 4.400 1.00 0.00 O ATOM 667 CB GLU A 54 -9.320 4.102 7.210 1.00 0.00 C ATOM 668 CG GLU A 54 -10.650 3.494 7.658 1.00 0.00 C ATOM 669 CD GLU A 54 -11.199 4.113 8.936 1.00 0.00 C ATOM 670 OE1 GLU A 54 -10.449 4.207 9.944 1.00 0.00 O ATOM 671 OE2 GLU A 54 -12.398 4.498 8.943 1.00 0.00 O ATOM 0 H GLU A 54 -7.117 4.628 6.203 1.00 0.00 H new ATOM 0 HA GLU A 54 -8.795 2.563 5.757 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -8.543 3.829 7.924 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -9.400 5.189 7.226 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -11.383 3.615 6.861 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -10.518 2.423 7.810 1.00 0.00 H new ATOM 678 N SER A 55 -9.861 5.448 4.576 1.00 0.00 N ATOM 679 CA SER A 55 -10.772 6.218 3.787 1.00 0.00 C ATOM 680 C SER A 55 -10.829 5.913 2.330 1.00 0.00 C ATOM 681 O SER A 55 -11.561 6.580 1.601 1.00 0.00 O ATOM 682 CB SER A 55 -10.482 7.721 3.935 1.00 0.00 C ATOM 683 OG SER A 55 -10.187 8.033 5.290 1.00 0.00 O ATOM 0 H SER A 55 -9.081 6.013 4.912 1.00 0.00 H new ATOM 0 HA SER A 55 -11.741 5.930 4.193 1.00 0.00 H new ATOM 0 HB2 SER A 55 -9.643 8.001 3.299 1.00 0.00 H new ATOM 0 HB3 SER A 55 -11.343 8.300 3.600 1.00 0.00 H new ATOM 0 HG SER A 55 -10.002 8.992 5.372 1.00 0.00 H new ATOM 689 N ASP A 56 -10.136 4.874 1.831 1.00 0.00 N ATOM 690 CA ASP A 56 -10.488 4.214 0.612 1.00 0.00 C ATOM 691 C ASP A 56 -11.786 3.507 0.802 1.00 0.00 C ATOM 692 O ASP A 56 -12.847 3.942 0.359 1.00 0.00 O ATOM 693 CB ASP A 56 -9.364 3.240 0.219 1.00 0.00 C ATOM 694 CG ASP A 56 -9.771 2.284 -0.894 1.00 0.00 C ATOM 695 OD1 ASP A 56 -10.075 2.754 -2.022 1.00 0.00 O ATOM 696 OD2 ASP A 56 -9.902 1.067 -0.597 1.00 0.00 O ATOM 0 H ASP A 56 -9.311 4.483 2.286 1.00 0.00 H new ATOM 0 HA ASP A 56 -10.606 4.935 -0.197 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -8.491 3.810 -0.099 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -9.066 2.664 1.095 1.00 0.00 H new ATOM 701 N GLY A 57 -11.726 2.340 1.469 1.00 0.00 N ATOM 702 CA GLY A 57 -12.898 1.594 1.806 1.00 0.00 C ATOM 703 C GLY A 57 -12.535 0.177 2.095 1.00 0.00 C ATOM 704 O GLY A 57 -13.075 -0.446 3.007 1.00 0.00 O ATOM 0 H GLY A 57 -10.854 1.910 1.778 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -13.384 2.038 2.675 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -13.614 1.635 0.985 1.00 0.00 H new ATOM 708 N ARG A 58 -11.598 -0.385 1.312 1.00 0.00 N ATOM 709 CA ARG A 58 -11.325 -1.788 1.343 1.00 0.00 C ATOM 710 C ARG A 58 -10.219 -2.197 2.252 1.00 0.00 C ATOM 711 O ARG A 58 -10.136 -3.369 2.618 1.00 0.00 O ATOM 712 CB ARG A 58 -11.021 -2.255 -0.090 1.00 0.00 C ATOM 713 CG ARG A 58 -12.244 -2.330 -1.005 1.00 0.00 C ATOM 714 CD ARG A 58 -11.912 -2.660 -2.463 1.00 0.00 C ATOM 715 NE ARG A 58 -11.080 -3.896 -2.447 1.00 0.00 N ATOM 716 CZ ARG A 58 -11.225 -4.954 -3.298 1.00 0.00 C ATOM 717 NH1 ARG A 58 -12.106 -4.963 -4.341 1.00 0.00 N ATOM 718 NH2 ARG A 58 -10.406 -6.039 -3.176 1.00 0.00 N ATOM 0 H ARG A 58 -11.024 0.138 0.651 1.00 0.00 H new ATOM 0 HA ARG A 58 -12.215 -2.267 1.751 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -10.292 -1.576 -0.533 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -10.554 -3.239 -0.047 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -12.928 -3.086 -0.619 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -12.770 -1.376 -0.970 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -12.823 -2.815 -3.041 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -11.373 -1.837 -2.932 1.00 0.00 H new ATOM 0 HE ARG A 58 -10.343 -3.957 -1.744 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -12.698 -4.151 -4.516 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -12.172 -5.782 -4.946 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -9.689 -6.058 -2.451 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -10.511 -6.831 -3.810 1.00 0.00 H new ATOM 732 N ILE A 59 -9.308 -1.295 2.663 1.00 0.00 N ATOM 733 CA ILE A 59 -8.190 -1.638 3.485 1.00 0.00 C ATOM 734 C ILE A 59 -8.572 -1.935 4.893 1.00 0.00 C ATOM 735 O ILE A 59 -9.261 -1.153 5.547 1.00 0.00 O ATOM 736 CB ILE A 59 -7.136 -0.571 3.469 1.00 0.00 C ATOM 737 CG1 ILE A 59 -6.895 -0.042 2.044 1.00 0.00 C ATOM 738 CG2 ILE A 59 -5.840 -1.159 4.053 1.00 0.00 C ATOM 739 CD1 ILE A 59 -5.745 0.960 1.951 1.00 0.00 C ATOM 0 H ILE A 59 -9.350 -0.306 2.418 1.00 0.00 H new ATOM 0 HA ILE A 59 -7.783 -2.550 3.048 1.00 0.00 H new ATOM 0 HB ILE A 59 -7.470 0.273 4.072 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -6.687 -0.884 1.383 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -7.808 0.430 1.681 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -5.061 -0.397 4.050 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -6.019 -1.490 5.076 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -5.520 -2.007 3.448 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -5.633 1.290 0.918 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -5.959 1.820 2.586 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -4.821 0.486 2.283 1.00 0.00 H new ATOM 751 N HIS A 60 -8.150 -3.100 5.418 1.00 0.00 N ATOM 752 CA HIS A 60 -8.436 -3.552 6.743 1.00 0.00 C ATOM 753 C HIS A 60 -7.156 -3.876 7.433 1.00 0.00 C ATOM 754 O HIS A 60 -6.063 -3.716 6.893 1.00 0.00 O ATOM 755 CB HIS A 60 -9.324 -4.807 6.700 1.00 0.00 C ATOM 756 CG HIS A 60 -10.606 -4.687 5.931 1.00 0.00 C ATOM 757 ND1 HIS A 60 -11.180 -5.848 5.454 1.00 0.00 N ATOM 758 CD2 HIS A 60 -11.406 -3.621 5.655 1.00 0.00 C ATOM 759 CE1 HIS A 60 -12.297 -5.470 4.861 1.00 0.00 C ATOM 760 NE2 HIS A 60 -12.488 -4.128 4.966 1.00 0.00 N ATOM 0 H HIS A 60 -7.580 -3.760 4.889 1.00 0.00 H new ATOM 0 HA HIS A 60 -8.964 -2.766 7.282 1.00 0.00 H new ATOM 0 HB2 HIS A 60 -8.743 -5.623 6.271 1.00 0.00 H new ATOM 0 HB3 HIS A 60 -9.565 -5.091 7.724 1.00 0.00 H new ATOM 0 HD2 HIS A 60 -11.230 -2.589 5.921 1.00 0.00 H new ATOM 0 HE1 HIS A 60 -12.974 -6.142 4.356 1.00 0.00 H new ATOM 0 HE2 HIS A 60 -13.280 -3.597 4.604 1.00 0.00 H new ATOM 768 N LYS A 61 -7.207 -4.355 8.689 1.00 0.00 N ATOM 769 CA LYS A 61 -6.038 -4.747 9.413 1.00 0.00 C ATOM 770 C LYS A 61 -5.552 -6.096 9.006 1.00 0.00 C ATOM 771 O LYS A 61 -5.844 -7.110 9.639 1.00 0.00 O ATOM 772 CB LYS A 61 -6.282 -4.749 10.931 1.00 0.00 C ATOM 773 CG LYS A 61 -6.565 -3.359 11.504 1.00 0.00 C ATOM 774 CD LYS A 61 -6.596 -3.296 13.033 1.00 0.00 C ATOM 775 CE LYS A 61 -7.581 -4.276 13.674 1.00 0.00 C ATOM 776 NZ LYS A 61 -7.808 -3.956 15.101 1.00 0.00 N ATOM 0 H LYS A 61 -8.076 -4.472 9.211 1.00 0.00 H new ATOM 0 HA LYS A 61 -5.276 -4.006 9.169 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -7.124 -5.404 11.155 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -5.409 -5.169 11.431 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -5.804 -2.668 11.140 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -7.523 -3.010 11.119 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -5.596 -3.499 13.416 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -6.855 -2.283 13.340 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -8.529 -4.245 13.137 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -7.197 -5.292 13.584 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -8.480 -4.638 15.507 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -6.906 -4.010 15.616 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -8.197 -2.995 15.184 1.00 0.00 H new ATOM 790 N GLY A 62 -4.777 -6.184 7.911 1.00 0.00 N ATOM 791 CA GLY A 62 -4.187 -7.426 7.514 1.00 0.00 C ATOM 792 C GLY A 62 -3.859 -7.555 6.067 1.00 0.00 C ATOM 793 O GLY A 62 -3.219 -8.528 5.670 1.00 0.00 O ATOM 0 H GLY A 62 -4.558 -5.397 7.300 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -3.273 -7.572 8.089 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -4.867 -8.233 7.786 1.00 0.00 H new ATOM 797 N ASP A 63 -4.284 -6.609 5.211 1.00 0.00 N ATOM 798 CA ASP A 63 -4.090 -6.683 3.795 1.00 0.00 C ATOM 799 C ASP A 63 -2.669 -6.556 3.364 1.00 0.00 C ATOM 800 O ASP A 63 -1.824 -5.982 4.050 1.00 0.00 O ATOM 801 CB ASP A 63 -4.919 -5.593 3.096 1.00 0.00 C ATOM 802 CG ASP A 63 -6.384 -5.905 3.366 1.00 0.00 C ATOM 803 OD1 ASP A 63 -6.895 -5.475 4.434 1.00 0.00 O ATOM 804 OD2 ASP A 63 -7.005 -6.664 2.575 1.00 0.00 O ATOM 0 H ASP A 63 -4.777 -5.768 5.512 1.00 0.00 H new ATOM 0 HA ASP A 63 -4.419 -7.681 3.505 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -4.658 -4.606 3.478 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -4.718 -5.583 2.025 1.00 0.00 H new ATOM 809 N ARG A 64 -2.353 -7.075 2.164 1.00 0.00 N ATOM 810 CA ARG A 64 -1.043 -7.075 1.592 1.00 0.00 C ATOM 811 C ARG A 64 -0.869 -5.855 0.756 1.00 0.00 C ATOM 812 O ARG A 64 -1.718 -5.525 -0.071 1.00 0.00 O ATOM 813 CB ARG A 64 -0.894 -8.331 0.716 1.00 0.00 C ATOM 814 CG ARG A 64 0.255 -8.374 -0.294 1.00 0.00 C ATOM 815 CD ARG A 64 1.621 -8.704 0.311 1.00 0.00 C ATOM 816 NE ARG A 64 2.635 -8.586 -0.774 1.00 0.00 N ATOM 817 CZ ARG A 64 3.006 -9.603 -1.606 1.00 0.00 C ATOM 818 NH1 ARG A 64 2.366 -10.808 -1.650 1.00 0.00 N ATOM 819 NH2 ARG A 64 4.068 -9.432 -2.447 1.00 0.00 N ATOM 0 H ARG A 64 -3.048 -7.517 1.562 1.00 0.00 H new ATOM 0 HA ARG A 64 -0.287 -7.078 2.378 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -0.787 -9.189 1.379 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -1.826 -8.467 0.167 1.00 0.00 H new ATOM 0 HG2 ARG A 64 0.022 -9.115 -1.059 1.00 0.00 H new ATOM 0 HG3 ARG A 64 0.318 -7.408 -0.795 1.00 0.00 H new ATOM 0 HD2 ARG A 64 1.853 -8.021 1.128 1.00 0.00 H new ATOM 0 HD3 ARG A 64 1.622 -9.711 0.728 1.00 0.00 H new ATOM 0 HE ARG A 64 3.085 -7.680 -0.905 1.00 0.00 H new ATOM 0 HH11 ARG A 64 1.567 -10.984 -1.041 1.00 0.00 H new ATOM 0 HH12 ARG A 64 2.687 -11.533 -2.292 1.00 0.00 H new ATOM 0 HH21 ARG A 64 4.578 -8.549 -2.451 1.00 0.00 H new ATOM 0 HH22 ARG A 64 4.351 -10.187 -3.071 1.00 0.00 H new ATOM 833 N VAL A 65 0.257 -5.137 0.919 1.00 0.00 N ATOM 834 CA VAL A 65 0.782 -4.199 -0.023 1.00 0.00 C ATOM 835 C VAL A 65 1.737 -4.957 -0.881 1.00 0.00 C ATOM 836 O VAL A 65 2.736 -5.485 -0.394 1.00 0.00 O ATOM 837 CB VAL A 65 1.557 -3.067 0.584 1.00 0.00 C ATOM 838 CG1 VAL A 65 1.794 -1.973 -0.470 1.00 0.00 C ATOM 839 CG2 VAL A 65 0.872 -2.467 1.825 1.00 0.00 C ATOM 0 H VAL A 65 0.833 -5.217 1.757 1.00 0.00 H new ATOM 0 HA VAL A 65 -0.066 -3.759 -0.547 1.00 0.00 H new ATOM 0 HB VAL A 65 2.510 -3.476 0.919 1.00 0.00 H new ATOM 0 HG11 VAL A 65 2.357 -1.154 -0.024 1.00 0.00 H new ATOM 0 HG12 VAL A 65 2.358 -2.388 -1.305 1.00 0.00 H new ATOM 0 HG13 VAL A 65 0.835 -1.600 -0.830 1.00 0.00 H new ATOM 0 HG21 VAL A 65 1.481 -1.653 2.219 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -0.111 -2.085 1.549 1.00 0.00 H new ATOM 0 HG23 VAL A 65 0.760 -3.238 2.587 1.00 0.00 H new ATOM 849 N LEU A 66 1.498 -5.074 -2.199 1.00 0.00 N ATOM 850 CA LEU A 66 2.443 -5.653 -3.102 1.00 0.00 C ATOM 851 C LEU A 66 3.224 -4.620 -3.839 1.00 0.00 C ATOM 852 O LEU A 66 4.386 -4.851 -4.167 1.00 0.00 O ATOM 853 CB LEU A 66 1.833 -6.679 -4.073 1.00 0.00 C ATOM 854 CG LEU A 66 0.592 -6.266 -4.884 1.00 0.00 C ATOM 855 CD1 LEU A 66 0.577 -6.995 -6.238 1.00 0.00 C ATOM 856 CD2 LEU A 66 -0.691 -6.613 -4.111 1.00 0.00 C ATOM 0 H LEU A 66 0.635 -4.762 -2.645 1.00 0.00 H new ATOM 0 HA LEU A 66 3.131 -6.209 -2.465 1.00 0.00 H new ATOM 0 HB2 LEU A 66 2.610 -6.971 -4.779 1.00 0.00 H new ATOM 0 HB3 LEU A 66 1.574 -7.568 -3.498 1.00 0.00 H new ATOM 0 HG LEU A 66 0.634 -5.190 -5.050 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -0.306 -6.695 -6.803 1.00 0.00 H new ATOM 0 HD12 LEU A 66 1.474 -6.736 -6.801 1.00 0.00 H new ATOM 0 HD13 LEU A 66 0.552 -8.072 -6.071 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -1.561 -6.315 -4.697 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -0.727 -7.687 -3.929 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -0.696 -6.083 -3.158 1.00 0.00 H new ATOM 868 N ALA A 67 2.637 -3.443 -4.124 1.00 0.00 N ATOM 869 CA ALA A 67 3.367 -2.429 -4.819 1.00 0.00 C ATOM 870 C ALA A 67 2.877 -1.061 -4.492 1.00 0.00 C ATOM 871 O ALA A 67 1.771 -0.889 -3.981 1.00 0.00 O ATOM 872 CB ALA A 67 3.316 -2.676 -6.337 1.00 0.00 C ATOM 0 H ALA A 67 1.678 -3.197 -3.879 1.00 0.00 H new ATOM 0 HA ALA A 67 4.403 -2.487 -4.486 1.00 0.00 H new ATOM 0 HB1 ALA A 67 3.876 -1.895 -6.852 1.00 0.00 H new ATOM 0 HB2 ALA A 67 3.756 -3.647 -6.563 1.00 0.00 H new ATOM 0 HB3 ALA A 67 2.279 -2.660 -6.674 1.00 0.00 H new ATOM 878 N VAL A 68 3.695 -0.023 -4.741 1.00 0.00 N ATOM 879 CA VAL A 68 3.368 1.334 -4.431 1.00 0.00 C ATOM 880 C VAL A 68 3.744 2.244 -5.550 1.00 0.00 C ATOM 881 O VAL A 68 4.922 2.322 -5.894 1.00 0.00 O ATOM 882 CB VAL A 68 4.093 1.824 -3.214 1.00 0.00 C ATOM 883 CG1 VAL A 68 3.637 3.252 -2.867 1.00 0.00 C ATOM 884 CG2 VAL A 68 3.846 0.887 -2.019 1.00 0.00 C ATOM 0 H VAL A 68 4.613 -0.131 -5.172 1.00 0.00 H new ATOM 0 HA VAL A 68 2.292 1.347 -4.257 1.00 0.00 H new ATOM 0 HB VAL A 68 5.161 1.833 -3.430 1.00 0.00 H new ATOM 0 HG11 VAL A 68 4.169 3.599 -1.981 1.00 0.00 H new ATOM 0 HG12 VAL A 68 3.853 3.916 -3.704 1.00 0.00 H new ATOM 0 HG13 VAL A 68 2.565 3.254 -2.670 1.00 0.00 H new ATOM 0 HG21 VAL A 68 4.381 1.261 -1.146 1.00 0.00 H new ATOM 0 HG22 VAL A 68 2.779 0.849 -1.801 1.00 0.00 H new ATOM 0 HG23 VAL A 68 4.203 -0.114 -2.262 1.00 0.00 H new ATOM 894 N ASN A 69 2.805 2.966 -6.186 1.00 0.00 N ATOM 895 CA ASN A 69 3.031 3.744 -7.365 1.00 0.00 C ATOM 896 C ASN A 69 3.548 2.956 -8.520 1.00 0.00 C ATOM 897 O ASN A 69 4.241 3.467 -9.398 1.00 0.00 O ATOM 898 CB ASN A 69 3.885 4.998 -7.112 1.00 0.00 C ATOM 899 CG ASN A 69 3.176 5.898 -6.111 1.00 0.00 C ATOM 900 OD1 ASN A 69 1.951 6.005 -6.115 1.00 0.00 O ATOM 901 ND2 ASN A 69 3.941 6.593 -5.226 1.00 0.00 N ATOM 0 H ASN A 69 1.839 3.010 -5.862 1.00 0.00 H new ATOM 0 HA ASN A 69 2.037 4.088 -7.651 1.00 0.00 H new ATOM 0 HB2 ASN A 69 4.866 4.713 -6.731 1.00 0.00 H new ATOM 0 HB3 ASN A 69 4.050 5.534 -8.047 1.00 0.00 H new ATOM 0 HD21 ASN A 69 3.500 7.216 -4.550 1.00 0.00 H new ATOM 0 HD22 ASN A 69 4.956 6.491 -5.239 1.00 0.00 H new ATOM 908 N GLY A 70 3.232 1.648 -8.555 1.00 0.00 N ATOM 909 CA GLY A 70 3.748 0.721 -9.513 1.00 0.00 C ATOM 910 C GLY A 70 5.064 0.135 -9.133 1.00 0.00 C ATOM 911 O GLY A 70 5.659 -0.623 -9.898 1.00 0.00 O ATOM 0 H GLY A 70 2.590 1.220 -7.888 1.00 0.00 H new ATOM 0 HA2 GLY A 70 3.027 -0.085 -9.649 1.00 0.00 H new ATOM 0 HA3 GLY A 70 3.849 1.225 -10.474 1.00 0.00 H new ATOM 915 N VAL A 71 5.571 0.449 -7.928 1.00 0.00 N ATOM 916 CA VAL A 71 6.845 0.015 -7.446 1.00 0.00 C ATOM 917 C VAL A 71 6.632 -1.171 -6.571 1.00 0.00 C ATOM 918 O VAL A 71 6.219 -1.063 -5.417 1.00 0.00 O ATOM 919 CB VAL A 71 7.644 1.043 -6.700 1.00 0.00 C ATOM 920 CG1 VAL A 71 9.044 0.492 -6.378 1.00 0.00 C ATOM 921 CG2 VAL A 71 7.767 2.307 -7.568 1.00 0.00 C ATOM 0 H VAL A 71 5.069 1.033 -7.259 1.00 0.00 H new ATOM 0 HA VAL A 71 7.439 -0.213 -8.331 1.00 0.00 H new ATOM 0 HB VAL A 71 7.141 1.286 -5.764 1.00 0.00 H new ATOM 0 HG11 VAL A 71 9.616 1.246 -5.837 1.00 0.00 H new ATOM 0 HG12 VAL A 71 8.950 -0.403 -5.763 1.00 0.00 H new ATOM 0 HG13 VAL A 71 9.559 0.243 -7.306 1.00 0.00 H new ATOM 0 HG21 VAL A 71 8.346 3.060 -7.034 1.00 0.00 H new ATOM 0 HG22 VAL A 71 8.269 2.059 -8.503 1.00 0.00 H new ATOM 0 HG23 VAL A 71 6.773 2.699 -7.783 1.00 0.00 H new ATOM 931 N SER A 72 6.892 -2.369 -7.126 1.00 0.00 N ATOM 932 CA SER A 72 6.883 -3.638 -6.466 1.00 0.00 C ATOM 933 C SER A 72 7.812 -3.689 -5.302 1.00 0.00 C ATOM 934 O SER A 72 8.999 -3.385 -5.407 1.00 0.00 O ATOM 935 CB SER A 72 7.146 -4.807 -7.431 1.00 0.00 C ATOM 936 OG SER A 72 8.299 -4.628 -8.238 1.00 0.00 O ATOM 0 H SER A 72 7.127 -2.455 -8.115 1.00 0.00 H new ATOM 0 HA SER A 72 5.871 -3.756 -6.077 1.00 0.00 H new ATOM 0 HB2 SER A 72 7.255 -5.726 -6.855 1.00 0.00 H new ATOM 0 HB3 SER A 72 6.277 -4.937 -8.077 1.00 0.00 H new ATOM 0 HG SER A 72 8.411 -5.404 -8.826 1.00 0.00 H new ATOM 942 N LEU A 73 7.289 -4.031 -4.112 1.00 0.00 N ATOM 943 CA LEU A 73 8.018 -3.955 -2.884 1.00 0.00 C ATOM 944 C LEU A 73 9.161 -4.908 -2.807 1.00 0.00 C ATOM 945 O LEU A 73 10.258 -4.497 -2.430 1.00 0.00 O ATOM 946 CB LEU A 73 7.098 -4.125 -1.664 1.00 0.00 C ATOM 947 CG LEU A 73 6.405 -2.820 -1.239 1.00 0.00 C ATOM 948 CD1 LEU A 73 5.247 -3.083 -0.260 1.00 0.00 C ATOM 949 CD2 LEU A 73 7.377 -1.846 -0.551 1.00 0.00 C ATOM 0 H LEU A 73 6.333 -4.370 -4.000 1.00 0.00 H new ATOM 0 HA LEU A 73 8.444 -2.952 -2.867 1.00 0.00 H new ATOM 0 HB2 LEU A 73 6.339 -4.874 -1.891 1.00 0.00 H new ATOM 0 HB3 LEU A 73 7.683 -4.507 -0.827 1.00 0.00 H new ATOM 0 HG LEU A 73 6.028 -2.378 -2.161 1.00 0.00 H new ATOM 0 HD11 LEU A 73 4.783 -2.137 0.017 1.00 0.00 H new ATOM 0 HD12 LEU A 73 4.506 -3.725 -0.737 1.00 0.00 H new ATOM 0 HD13 LEU A 73 5.631 -3.574 0.634 1.00 0.00 H new ATOM 0 HD21 LEU A 73 6.843 -0.939 -0.268 1.00 0.00 H new ATOM 0 HD22 LEU A 73 7.792 -2.316 0.341 1.00 0.00 H new ATOM 0 HD23 LEU A 73 8.185 -1.593 -1.237 1.00 0.00 H new ATOM 961 N GLU A 74 8.934 -6.178 -3.184 1.00 0.00 N ATOM 962 CA GLU A 74 9.840 -7.251 -3.455 1.00 0.00 C ATOM 963 C GLU A 74 11.287 -7.021 -3.182 1.00 0.00 C ATOM 964 O GLU A 74 12.081 -6.715 -4.070 1.00 0.00 O ATOM 965 CB GLU A 74 9.586 -7.685 -4.907 1.00 0.00 C ATOM 966 CG GLU A 74 10.135 -9.055 -5.314 1.00 0.00 C ATOM 967 CD GLU A 74 9.792 -9.384 -6.760 1.00 0.00 C ATOM 968 OE1 GLU A 74 8.609 -9.706 -7.052 1.00 0.00 O ATOM 969 OE2 GLU A 74 10.709 -9.355 -7.623 1.00 0.00 O ATOM 0 H GLU A 74 7.973 -6.492 -3.316 1.00 0.00 H new ATOM 0 HA GLU A 74 9.622 -8.037 -2.732 1.00 0.00 H new ATOM 0 HB2 GLU A 74 8.510 -7.683 -5.081 1.00 0.00 H new ATOM 0 HB3 GLU A 74 10.017 -6.934 -5.569 1.00 0.00 H new ATOM 0 HG2 GLU A 74 11.217 -9.068 -5.183 1.00 0.00 H new ATOM 0 HG3 GLU A 74 9.725 -9.823 -4.658 1.00 0.00 H new ATOM 976 N GLY A 75 11.691 -7.103 -1.902 1.00 0.00 N ATOM 977 CA GLY A 75 12.976 -6.672 -1.444 1.00 0.00 C ATOM 978 C GLY A 75 12.911 -5.756 -0.270 1.00 0.00 C ATOM 979 O GLY A 75 13.874 -5.611 0.481 1.00 0.00 O ATOM 0 H GLY A 75 11.103 -7.482 -1.160 1.00 0.00 H new ATOM 0 HA2 GLY A 75 13.571 -7.546 -1.180 1.00 0.00 H new ATOM 0 HA3 GLY A 75 13.494 -6.168 -2.260 1.00 0.00 H new ATOM 983 N ALA A 76 11.770 -5.071 -0.070 1.00 0.00 N ATOM 984 CA ALA A 76 11.574 -4.141 0.998 1.00 0.00 C ATOM 985 C ALA A 76 11.303 -4.762 2.325 1.00 0.00 C ATOM 986 O ALA A 76 10.612 -5.771 2.457 1.00 0.00 O ATOM 987 CB ALA A 76 10.451 -3.155 0.635 1.00 0.00 C ATOM 0 H ALA A 76 10.954 -5.169 -0.675 1.00 0.00 H new ATOM 0 HA ALA A 76 12.524 -3.619 1.111 1.00 0.00 H new ATOM 0 HB1 ALA A 76 10.307 -2.450 1.454 1.00 0.00 H new ATOM 0 HB2 ALA A 76 10.723 -2.611 -0.269 1.00 0.00 H new ATOM 0 HB3 ALA A 76 9.526 -3.705 0.463 1.00 0.00 H new ATOM 993 N THR A 77 11.860 -4.164 3.394 1.00 0.00 N ATOM 994 CA THR A 77 11.709 -4.575 4.755 1.00 0.00 C ATOM 995 C THR A 77 10.653 -3.735 5.386 1.00 0.00 C ATOM 996 O THR A 77 9.905 -3.050 4.691 1.00 0.00 O ATOM 997 CB THR A 77 12.965 -4.449 5.566 1.00 0.00 C ATOM 998 OG1 THR A 77 13.429 -3.120 5.744 1.00 0.00 O ATOM 999 CG2 THR A 77 14.106 -5.179 4.837 1.00 0.00 C ATOM 0 H THR A 77 12.454 -3.340 3.300 1.00 0.00 H new ATOM 0 HA THR A 77 11.445 -5.632 4.741 1.00 0.00 H new ATOM 0 HB THR A 77 12.711 -4.864 6.541 1.00 0.00 H new ATOM 0 HG1 THR A 77 14.247 -3.129 6.283 1.00 0.00 H new ATOM 0 HG21 THR A 77 15.024 -5.093 5.419 1.00 0.00 H new ATOM 0 HG22 THR A 77 13.848 -6.232 4.720 1.00 0.00 H new ATOM 0 HG23 THR A 77 14.256 -4.731 3.855 1.00 0.00 H new ATOM 1007 N HIS A 78 10.577 -3.660 6.728 1.00 0.00 N ATOM 1008 CA HIS A 78 9.827 -2.639 7.388 1.00 0.00 C ATOM 1009 C HIS A 78 10.307 -1.270 7.050 1.00 0.00 C ATOM 1010 O HIS A 78 9.526 -0.377 6.725 1.00 0.00 O ATOM 1011 CB HIS A 78 9.877 -2.780 8.919 1.00 0.00 C ATOM 1012 CG HIS A 78 9.406 -1.581 9.687 1.00 0.00 C ATOM 1013 ND1 HIS A 78 8.104 -1.152 9.690 1.00 0.00 N ATOM 1014 CD2 HIS A 78 10.140 -0.615 10.300 1.00 0.00 C ATOM 1015 CE1 HIS A 78 8.045 0.033 10.267 1.00 0.00 C ATOM 1016 NE2 HIS A 78 9.262 0.379 10.645 1.00 0.00 N ATOM 0 H HIS A 78 11.040 -4.314 7.359 1.00 0.00 H new ATOM 0 HA HIS A 78 8.805 -2.770 7.032 1.00 0.00 H new ATOM 0 HB2 HIS A 78 9.271 -3.638 9.209 1.00 0.00 H new ATOM 0 HB3 HIS A 78 10.903 -3.000 9.214 1.00 0.00 H new ATOM 0 HD1 HIS A 78 7.310 -1.666 9.308 1.00 0.00 H new ATOM 0 HD2 HIS A 78 11.205 -0.628 10.480 1.00 0.00 H new ATOM 0 HE1 HIS A 78 7.151 0.622 10.407 1.00 0.00 H new ATOM 0 HE2 HIS A 78 9.509 1.248 11.118 1.00 0.00 H new ATOM 1025 N LYS A 79 11.634 -1.058 7.124 1.00 0.00 N ATOM 1026 CA LYS A 79 12.277 0.211 6.980 1.00 0.00 C ATOM 1027 C LYS A 79 12.228 0.696 5.573 1.00 0.00 C ATOM 1028 O LYS A 79 11.902 1.845 5.283 1.00 0.00 O ATOM 1029 CB LYS A 79 13.724 0.044 7.473 1.00 0.00 C ATOM 1030 CG LYS A 79 14.409 1.316 7.975 1.00 0.00 C ATOM 1031 CD LYS A 79 15.831 0.994 8.439 1.00 0.00 C ATOM 1032 CE LYS A 79 16.571 2.117 9.168 1.00 0.00 C ATOM 1033 NZ LYS A 79 15.953 2.396 10.484 1.00 0.00 N ATOM 0 H LYS A 79 12.295 -1.816 7.294 1.00 0.00 H new ATOM 0 HA LYS A 79 11.760 0.967 7.571 1.00 0.00 H new ATOM 0 HB2 LYS A 79 13.731 -0.691 8.278 1.00 0.00 H new ATOM 0 HB3 LYS A 79 14.319 -0.369 6.659 1.00 0.00 H new ATOM 0 HG2 LYS A 79 14.437 2.062 7.181 1.00 0.00 H new ATOM 0 HG3 LYS A 79 13.838 1.747 8.797 1.00 0.00 H new ATOM 0 HD2 LYS A 79 15.789 0.127 9.098 1.00 0.00 H new ATOM 0 HD3 LYS A 79 16.419 0.704 7.568 1.00 0.00 H new ATOM 0 HE2 LYS A 79 17.616 1.839 9.305 1.00 0.00 H new ATOM 0 HE3 LYS A 79 16.559 3.020 8.558 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 16.504 3.126 10.979 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 14.979 2.732 10.346 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 15.941 1.526 11.053 1.00 0.00 H new ATOM 1047 N GLN A 80 12.523 -0.192 4.606 1.00 0.00 N ATOM 1048 CA GLN A 80 12.387 0.129 3.219 1.00 0.00 C ATOM 1049 C GLN A 80 10.977 0.281 2.761 1.00 0.00 C ATOM 1050 O GLN A 80 10.689 1.124 1.914 1.00 0.00 O ATOM 1051 CB GLN A 80 13.190 -0.848 2.344 1.00 0.00 C ATOM 1052 CG GLN A 80 13.966 -0.068 1.280 1.00 0.00 C ATOM 1053 CD GLN A 80 14.900 -0.924 0.438 1.00 0.00 C ATOM 1054 OE1 GLN A 80 16.120 -0.887 0.590 1.00 0.00 O ATOM 1055 NE2 GLN A 80 14.326 -1.690 -0.528 1.00 0.00 N ATOM 0 H GLN A 80 12.858 -1.138 4.787 1.00 0.00 H new ATOM 0 HA GLN A 80 12.818 1.123 3.096 1.00 0.00 H new ATOM 0 HB2 GLN A 80 13.879 -1.423 2.962 1.00 0.00 H new ATOM 0 HB3 GLN A 80 12.518 -1.562 1.868 1.00 0.00 H new ATOM 0 HG2 GLN A 80 13.256 0.431 0.621 1.00 0.00 H new ATOM 0 HG3 GLN A 80 14.549 0.712 1.770 1.00 0.00 H new ATOM 0 HE21 GLN A 80 13.311 -1.703 -0.633 1.00 0.00 H new ATOM 0 HE22 GLN A 80 14.910 -2.252 -1.148 1.00 0.00 H new ATOM 1064 N ALA A 81 10.006 -0.468 3.311 1.00 0.00 N ATOM 1065 CA ALA A 81 8.625 -0.249 3.008 1.00 0.00 C ATOM 1066 C ALA A 81 8.104 1.080 3.436 1.00 0.00 C ATOM 1067 O ALA A 81 7.340 1.705 2.704 1.00 0.00 O ATOM 1068 CB ALA A 81 7.737 -1.317 3.669 1.00 0.00 C ATOM 0 H ALA A 81 10.177 -1.229 3.968 1.00 0.00 H new ATOM 0 HA ALA A 81 8.580 -0.301 1.920 1.00 0.00 H new ATOM 0 HB1 ALA A 81 6.693 -1.126 3.422 1.00 0.00 H new ATOM 0 HB2 ALA A 81 8.022 -2.304 3.304 1.00 0.00 H new ATOM 0 HB3 ALA A 81 7.867 -1.279 4.751 1.00 0.00 H new ATOM 1074 N VAL A 82 8.546 1.579 4.605 1.00 0.00 N ATOM 1075 CA VAL A 82 8.282 2.910 5.055 1.00 0.00 C ATOM 1076 C VAL A 82 8.707 3.913 4.038 1.00 0.00 C ATOM 1077 O VAL A 82 7.876 4.692 3.574 1.00 0.00 O ATOM 1078 CB VAL A 82 8.912 3.240 6.375 1.00 0.00 C ATOM 1079 CG1 VAL A 82 8.949 4.746 6.684 1.00 0.00 C ATOM 1080 CG2 VAL A 82 8.125 2.535 7.494 1.00 0.00 C ATOM 0 H VAL A 82 9.108 1.035 5.260 1.00 0.00 H new ATOM 0 HA VAL A 82 7.202 2.956 5.197 1.00 0.00 H new ATOM 0 HB VAL A 82 9.945 2.897 6.321 1.00 0.00 H new ATOM 0 HG11 VAL A 82 9.418 4.907 7.654 1.00 0.00 H new ATOM 0 HG12 VAL A 82 9.522 5.262 5.914 1.00 0.00 H new ATOM 0 HG13 VAL A 82 7.932 5.139 6.703 1.00 0.00 H new ATOM 0 HG21 VAL A 82 8.576 2.769 8.459 1.00 0.00 H new ATOM 0 HG22 VAL A 82 7.091 2.879 7.484 1.00 0.00 H new ATOM 0 HG23 VAL A 82 8.151 1.457 7.333 1.00 0.00 H new ATOM 1090 N GLU A 83 9.967 3.897 3.569 1.00 0.00 N ATOM 1091 CA GLU A 83 10.408 4.806 2.555 1.00 0.00 C ATOM 1092 C GLU A 83 9.668 4.747 1.263 1.00 0.00 C ATOM 1093 O GLU A 83 9.406 5.774 0.639 1.00 0.00 O ATOM 1094 CB GLU A 83 11.872 4.560 2.153 1.00 0.00 C ATOM 1095 CG GLU A 83 12.909 4.865 3.237 1.00 0.00 C ATOM 1096 CD GLU A 83 14.274 4.548 2.643 1.00 0.00 C ATOM 1097 OE1 GLU A 83 14.532 3.347 2.364 1.00 0.00 O ATOM 1098 OE2 GLU A 83 15.094 5.478 2.418 1.00 0.00 O ATOM 0 H GLU A 83 10.686 3.250 3.894 1.00 0.00 H new ATOM 0 HA GLU A 83 10.238 5.768 3.039 1.00 0.00 H new ATOM 0 HB2 GLU A 83 11.979 3.517 1.854 1.00 0.00 H new ATOM 0 HB3 GLU A 83 12.098 5.167 1.276 1.00 0.00 H new ATOM 0 HG2 GLU A 83 12.853 5.910 3.542 1.00 0.00 H new ATOM 0 HG3 GLU A 83 12.726 4.263 4.127 1.00 0.00 H new ATOM 1105 N THR A 84 9.277 3.535 0.829 1.00 0.00 N ATOM 1106 CA THR A 84 8.568 3.256 -0.381 1.00 0.00 C ATOM 1107 C THR A 84 7.229 3.908 -0.412 1.00 0.00 C ATOM 1108 O THR A 84 6.729 4.278 -1.473 1.00 0.00 O ATOM 1109 CB THR A 84 8.462 1.780 -0.633 1.00 0.00 C ATOM 1110 OG1 THR A 84 9.744 1.171 -0.577 1.00 0.00 O ATOM 1111 CG2 THR A 84 7.942 1.429 -2.037 1.00 0.00 C ATOM 0 H THR A 84 9.472 2.689 1.364 1.00 0.00 H new ATOM 0 HA THR A 84 9.153 3.689 -1.193 1.00 0.00 H new ATOM 0 HB THR A 84 7.772 1.426 0.133 1.00 0.00 H new ATOM 0 HG1 THR A 84 10.024 1.083 0.358 1.00 0.00 H new ATOM 0 HG21 THR A 84 7.892 0.346 -2.146 1.00 0.00 H new ATOM 0 HG22 THR A 84 6.947 1.854 -2.173 1.00 0.00 H new ATOM 0 HG23 THR A 84 8.617 1.839 -2.788 1.00 0.00 H new ATOM 1119 N LEU A 85 6.629 4.139 0.770 1.00 0.00 N ATOM 1120 CA LEU A 85 5.461 4.940 0.965 1.00 0.00 C ATOM 1121 C LEU A 85 5.737 6.375 1.261 1.00 0.00 C ATOM 1122 O LEU A 85 5.035 7.257 0.766 1.00 0.00 O ATOM 1123 CB LEU A 85 4.657 4.389 2.155 1.00 0.00 C ATOM 1124 CG LEU A 85 4.171 2.943 1.966 1.00 0.00 C ATOM 1125 CD1 LEU A 85 3.698 2.343 3.301 1.00 0.00 C ATOM 1126 CD2 LEU A 85 3.067 2.802 0.904 1.00 0.00 C ATOM 0 H LEU A 85 6.981 3.742 1.641 1.00 0.00 H new ATOM 0 HA LEU A 85 4.919 4.890 0.021 1.00 0.00 H new ATOM 0 HB2 LEU A 85 5.274 4.439 3.052 1.00 0.00 H new ATOM 0 HB3 LEU A 85 3.794 5.032 2.326 1.00 0.00 H new ATOM 0 HG LEU A 85 5.033 2.385 1.601 1.00 0.00 H new ATOM 0 HD11 LEU A 85 3.359 1.320 3.140 1.00 0.00 H new ATOM 0 HD12 LEU A 85 4.523 2.344 4.013 1.00 0.00 H new ATOM 0 HD13 LEU A 85 2.876 2.939 3.697 1.00 0.00 H new ATOM 0 HD21 LEU A 85 2.772 1.756 0.823 1.00 0.00 H new ATOM 0 HD22 LEU A 85 2.204 3.401 1.194 1.00 0.00 H new ATOM 0 HD23 LEU A 85 3.442 3.149 -0.059 1.00 0.00 H new ATOM 1138 N ARG A 86 6.731 6.700 2.105 1.00 0.00 N ATOM 1139 CA ARG A 86 6.894 7.997 2.687 1.00 0.00 C ATOM 1140 C ARG A 86 7.702 8.979 1.910 1.00 0.00 C ATOM 1141 O ARG A 86 7.413 10.174 1.930 1.00 0.00 O ATOM 1142 CB ARG A 86 7.240 7.860 4.179 1.00 0.00 C ATOM 1143 CG ARG A 86 8.650 7.587 4.706 1.00 0.00 C ATOM 1144 CD ARG A 86 9.651 8.739 4.588 1.00 0.00 C ATOM 1145 NE ARG A 86 9.160 9.850 5.450 1.00 0.00 N ATOM 1146 CZ ARG A 86 9.271 11.172 5.127 1.00 0.00 C ATOM 1147 NH1 ARG A 86 9.961 11.615 4.036 1.00 0.00 N ATOM 1148 NH2 ARG A 86 8.692 12.128 5.910 1.00 0.00 N ATOM 0 H ARG A 86 7.449 6.035 2.394 1.00 0.00 H new ATOM 0 HA ARG A 86 5.927 8.495 2.625 1.00 0.00 H new ATOM 0 HB2 ARG A 86 6.910 8.784 4.655 1.00 0.00 H new ATOM 0 HB3 ARG A 86 6.609 7.060 4.566 1.00 0.00 H new ATOM 0 HG2 ARG A 86 8.574 7.305 5.756 1.00 0.00 H new ATOM 0 HG3 ARG A 86 9.054 6.726 4.173 1.00 0.00 H new ATOM 0 HD2 ARG A 86 10.643 8.418 4.905 1.00 0.00 H new ATOM 0 HD3 ARG A 86 9.737 9.067 3.552 1.00 0.00 H new ATOM 0 HE ARG A 86 8.714 9.609 6.335 1.00 0.00 H new ATOM 0 HH11 ARG A 86 10.423 10.947 3.419 1.00 0.00 H new ATOM 0 HH12 ARG A 86 10.015 12.614 3.838 1.00 0.00 H new ATOM 0 HH21 ARG A 86 8.171 11.857 6.744 1.00 0.00 H new ATOM 0 HH22 ARG A 86 8.780 13.113 5.661 1.00 0.00 H new ATOM 1162 N ASN A 87 8.717 8.529 1.152 1.00 0.00 N ATOM 1163 CA ASN A 87 9.523 9.366 0.320 1.00 0.00 C ATOM 1164 C ASN A 87 8.939 9.512 -1.043 1.00 0.00 C ATOM 1165 O ASN A 87 9.629 9.545 -2.061 1.00 0.00 O ATOM 1166 CB ASN A 87 10.974 8.864 0.218 1.00 0.00 C ATOM 1167 CG ASN A 87 11.725 9.150 1.510 1.00 0.00 C ATOM 1168 OD1 ASN A 87 11.368 10.036 2.285 1.00 0.00 O ATOM 1169 ND2 ASN A 87 12.831 8.400 1.765 1.00 0.00 N ATOM 0 H ASN A 87 8.986 7.546 1.117 1.00 0.00 H new ATOM 0 HA ASN A 87 9.539 10.345 0.800 1.00 0.00 H new ATOM 0 HB2 ASN A 87 10.982 7.793 0.015 1.00 0.00 H new ATOM 0 HB3 ASN A 87 11.476 9.351 -0.618 1.00 0.00 H new ATOM 0 HD21 ASN A 87 13.378 8.569 2.609 1.00 0.00 H new ATOM 0 HD22 ASN A 87 13.113 7.669 1.112 1.00 0.00 H new ATOM 1176 N THR A 88 7.602 9.636 -1.122 1.00 0.00 N ATOM 1177 CA THR A 88 6.829 9.811 -2.312 1.00 0.00 C ATOM 1178 C THR A 88 6.351 11.219 -2.407 1.00 0.00 C ATOM 1179 O THR A 88 6.486 11.997 -1.465 1.00 0.00 O ATOM 1180 CB THR A 88 5.676 8.850 -2.301 1.00 0.00 C ATOM 1181 OG1 THR A 88 4.819 9.072 -1.191 1.00 0.00 O ATOM 1182 CG2 THR A 88 6.225 7.420 -2.155 1.00 0.00 C ATOM 0 H THR A 88 7.017 9.612 -0.287 1.00 0.00 H new ATOM 0 HA THR A 88 7.447 9.606 -3.186 1.00 0.00 H new ATOM 0 HB THR A 88 5.120 8.992 -3.228 1.00 0.00 H new ATOM 0 HG1 THR A 88 4.701 8.234 -0.696 1.00 0.00 H new ATOM 0 HG21 THR A 88 5.397 6.711 -2.146 1.00 0.00 H new ATOM 0 HG22 THR A 88 6.885 7.196 -2.993 1.00 0.00 H new ATOM 0 HG23 THR A 88 6.783 7.338 -1.222 1.00 0.00 H new ATOM 1190 N GLY A 89 5.767 11.616 -3.553 1.00 0.00 N ATOM 1191 CA GLY A 89 5.255 12.932 -3.777 1.00 0.00 C ATOM 1192 C GLY A 89 4.056 13.265 -2.960 1.00 0.00 C ATOM 1193 O GLY A 89 4.168 13.722 -1.823 1.00 0.00 O ATOM 0 H GLY A 89 5.647 10.996 -4.354 1.00 0.00 H new ATOM 0 HA2 GLY A 89 6.040 13.657 -3.563 1.00 0.00 H new ATOM 0 HA3 GLY A 89 5.003 13.037 -4.832 1.00 0.00 H new ATOM 1197 N GLN A 90 2.840 13.030 -3.486 1.00 0.00 N ATOM 1198 CA GLN A 90 1.624 13.200 -2.754 1.00 0.00 C ATOM 1199 C GLN A 90 0.752 12.010 -2.966 1.00 0.00 C ATOM 1200 O GLN A 90 0.249 11.428 -2.007 1.00 0.00 O ATOM 1201 CB GLN A 90 0.870 14.494 -3.106 1.00 0.00 C ATOM 1202 CG GLN A 90 -0.318 14.726 -2.170 1.00 0.00 C ATOM 1203 CD GLN A 90 -0.955 16.097 -2.349 1.00 0.00 C ATOM 1204 OE1 GLN A 90 -2.099 16.230 -2.780 1.00 0.00 O ATOM 1205 NE2 GLN A 90 -0.195 17.162 -1.980 1.00 0.00 N ATOM 0 H GLN A 90 2.699 12.714 -4.445 1.00 0.00 H new ATOM 0 HA GLN A 90 1.892 13.291 -1.701 1.00 0.00 H new ATOM 0 HB2 GLN A 90 1.553 15.342 -3.045 1.00 0.00 H new ATOM 0 HB3 GLN A 90 0.518 14.442 -4.136 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -1.069 13.956 -2.347 1.00 0.00 H new ATOM 0 HG3 GLN A 90 0.013 14.617 -1.137 1.00 0.00 H new ATOM 0 HE21 GLN A 90 0.750 17.016 -1.626 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -0.570 18.107 -2.057 1.00 0.00 H new ATOM 1214 N VAL A 91 0.563 11.576 -4.225 1.00 0.00 N ATOM 1215 CA VAL A 91 -0.192 10.395 -4.506 1.00 0.00 C ATOM 1216 C VAL A 91 0.604 9.166 -4.227 1.00 0.00 C ATOM 1217 O VAL A 91 1.664 8.911 -4.797 1.00 0.00 O ATOM 1218 CB VAL A 91 -0.787 10.323 -5.881 1.00 0.00 C ATOM 1219 CG1 VAL A 91 -1.443 8.955 -6.136 1.00 0.00 C ATOM 1220 CG2 VAL A 91 -1.837 11.442 -5.985 1.00 0.00 C ATOM 0 H VAL A 91 0.935 12.045 -5.051 1.00 0.00 H new ATOM 0 HA VAL A 91 -1.042 10.454 -3.826 1.00 0.00 H new ATOM 0 HB VAL A 91 -0.006 10.448 -6.631 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -1.865 8.935 -7.141 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -0.694 8.169 -6.041 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -2.236 8.790 -5.407 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -2.293 11.422 -6.975 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -2.606 11.291 -5.227 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -1.357 12.408 -5.827 1.00 0.00 H new ATOM 1230 N VAL A 92 0.057 8.341 -3.317 1.00 0.00 N ATOM 1231 CA VAL A 92 0.474 6.997 -3.059 1.00 0.00 C ATOM 1232 C VAL A 92 -0.606 6.108 -3.571 1.00 0.00 C ATOM 1233 O VAL A 92 -1.683 5.962 -2.994 1.00 0.00 O ATOM 1234 CB VAL A 92 0.740 6.776 -1.599 1.00 0.00 C ATOM 1235 CG1 VAL A 92 1.054 5.301 -1.300 1.00 0.00 C ATOM 1236 CG2 VAL A 92 1.940 7.654 -1.206 1.00 0.00 C ATOM 0 H VAL A 92 -0.723 8.629 -2.726 1.00 0.00 H new ATOM 0 HA VAL A 92 1.415 6.778 -3.563 1.00 0.00 H new ATOM 0 HB VAL A 92 -0.147 7.041 -1.024 1.00 0.00 H new ATOM 0 HG11 VAL A 92 1.241 5.178 -0.233 1.00 0.00 H new ATOM 0 HG12 VAL A 92 0.206 4.682 -1.593 1.00 0.00 H new ATOM 0 HG13 VAL A 92 1.937 4.996 -1.861 1.00 0.00 H new ATOM 0 HG21 VAL A 92 2.160 7.517 -0.147 1.00 0.00 H new ATOM 0 HG22 VAL A 92 2.810 7.368 -1.798 1.00 0.00 H new ATOM 0 HG23 VAL A 92 1.702 8.701 -1.394 1.00 0.00 H new ATOM 1246 N HIS A 93 -0.352 5.484 -4.736 1.00 0.00 N ATOM 1247 CA HIS A 93 -1.172 4.504 -5.379 1.00 0.00 C ATOM 1248 C HIS A 93 -0.794 3.173 -4.828 1.00 0.00 C ATOM 1249 O HIS A 93 0.232 2.608 -5.207 1.00 0.00 O ATOM 1250 CB HIS A 93 -0.927 4.597 -6.895 1.00 0.00 C ATOM 1251 CG HIS A 93 -2.039 4.135 -7.789 1.00 0.00 C ATOM 1252 ND1 HIS A 93 -1.945 4.423 -9.136 1.00 0.00 N ATOM 1253 CD2 HIS A 93 -3.214 3.508 -7.518 1.00 0.00 C ATOM 1254 CE1 HIS A 93 -3.056 3.949 -9.668 1.00 0.00 C ATOM 1255 NE2 HIS A 93 -3.867 3.392 -8.728 1.00 0.00 N ATOM 0 H HIS A 93 0.495 5.682 -5.269 1.00 0.00 H new ATOM 0 HA HIS A 93 -2.235 4.664 -5.200 1.00 0.00 H new ATOM 0 HB2 HIS A 93 -0.703 5.635 -7.140 1.00 0.00 H new ATOM 0 HB3 HIS A 93 -0.037 4.015 -7.132 1.00 0.00 H new ATOM 0 HD2 HIS A 93 -3.564 3.170 -6.554 1.00 0.00 H new ATOM 0 HE1 HIS A 93 -3.292 3.997 -10.721 1.00 0.00 H new ATOM 0 HE2 HIS A 93 -4.782 2.970 -8.887 1.00 0.00 H new ATOM 1263 N LEU A 94 -1.562 2.619 -3.873 1.00 0.00 N ATOM 1264 CA LEU A 94 -1.278 1.365 -3.248 1.00 0.00 C ATOM 1265 C LEU A 94 -1.802 0.250 -4.087 1.00 0.00 C ATOM 1266 O LEU A 94 -2.993 0.182 -4.385 1.00 0.00 O ATOM 1267 CB LEU A 94 -1.909 1.157 -1.861 1.00 0.00 C ATOM 1268 CG LEU A 94 -1.278 1.980 -0.726 1.00 0.00 C ATOM 1269 CD1 LEU A 94 -2.308 2.212 0.392 1.00 0.00 C ATOM 1270 CD2 LEU A 94 -0.006 1.300 -0.189 1.00 0.00 C ATOM 0 H LEU A 94 -2.412 3.061 -3.523 1.00 0.00 H new ATOM 0 HA LEU A 94 -0.194 1.372 -3.137 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -2.969 1.403 -1.921 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -1.841 0.100 -1.603 1.00 0.00 H new ATOM 0 HG LEU A 94 -0.980 2.951 -1.123 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -1.852 2.796 1.192 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -3.165 2.753 -0.009 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -2.638 1.251 0.787 1.00 0.00 H new ATOM 0 HD21 LEU A 94 0.419 1.904 0.613 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -0.257 0.311 0.196 1.00 0.00 H new ATOM 0 HD23 LEU A 94 0.722 1.202 -0.994 1.00 0.00 H new ATOM 1282 N LEU A 95 -0.935 -0.708 -4.462 1.00 0.00 N ATOM 1283 CA LEU A 95 -1.362 -1.950 -5.028 1.00 0.00 C ATOM 1284 C LEU A 95 -1.528 -2.914 -3.904 1.00 0.00 C ATOM 1285 O LEU A 95 -0.559 -3.445 -3.362 1.00 0.00 O ATOM 1286 CB LEU A 95 -0.324 -2.434 -6.055 1.00 0.00 C ATOM 1287 CG LEU A 95 -0.952 -3.065 -7.310 1.00 0.00 C ATOM 1288 CD1 LEU A 95 0.170 -3.677 -8.166 1.00 0.00 C ATOM 1289 CD2 LEU A 95 -2.041 -4.104 -6.992 1.00 0.00 C ATOM 0 H LEU A 95 0.077 -0.619 -4.371 1.00 0.00 H new ATOM 0 HA LEU A 95 -2.309 -1.848 -5.558 1.00 0.00 H new ATOM 0 HB2 LEU A 95 0.300 -1.592 -6.355 1.00 0.00 H new ATOM 0 HB3 LEU A 95 0.332 -3.164 -5.581 1.00 0.00 H new ATOM 0 HG LEU A 95 -1.463 -2.277 -7.864 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -0.260 -4.129 -9.060 1.00 0.00 H new ATOM 0 HD12 LEU A 95 0.873 -2.896 -8.456 1.00 0.00 H new ATOM 0 HD13 LEU A 95 0.693 -4.440 -7.589 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -2.441 -4.508 -7.922 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -1.611 -4.912 -6.400 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -2.844 -3.629 -6.428 1.00 0.00 H new ATOM 1301 N LEU A 96 -2.798 -3.100 -3.501 1.00 0.00 N ATOM 1302 CA LEU A 96 -3.232 -3.910 -2.406 1.00 0.00 C ATOM 1303 C LEU A 96 -3.736 -5.232 -2.873 1.00 0.00 C ATOM 1304 O LEU A 96 -4.344 -5.346 -3.937 1.00 0.00 O ATOM 1305 CB LEU A 96 -4.390 -3.231 -1.655 1.00 0.00 C ATOM 1306 CG LEU A 96 -3.984 -2.025 -0.789 1.00 0.00 C ATOM 1307 CD1 LEU A 96 -4.822 -0.777 -1.109 1.00 0.00 C ATOM 1308 CD2 LEU A 96 -4.136 -2.384 0.699 1.00 0.00 C ATOM 0 H LEU A 96 -3.579 -2.649 -3.978 1.00 0.00 H new ATOM 0 HA LEU A 96 -2.367 -4.043 -1.756 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -5.133 -2.903 -2.382 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -4.873 -3.971 -1.017 1.00 0.00 H new ATOM 0 HG LEU A 96 -2.944 -1.790 -1.014 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -4.501 0.049 -0.474 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -4.685 -0.505 -2.156 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -5.875 -0.989 -0.924 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -3.848 -1.529 1.311 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -5.174 -2.645 0.906 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -3.494 -3.232 0.936 1.00 0.00 H new ATOM 1320 N GLU A 97 -3.525 -6.288 -2.068 1.00 0.00 N ATOM 1321 CA GLU A 97 -4.121 -7.578 -2.226 1.00 0.00 C ATOM 1322 C GLU A 97 -4.835 -7.935 -0.967 1.00 0.00 C ATOM 1323 O GLU A 97 -4.387 -7.629 0.137 1.00 0.00 O ATOM 1324 CB GLU A 97 -3.061 -8.650 -2.532 1.00 0.00 C ATOM 1325 CG GLU A 97 -3.540 -10.104 -2.513 1.00 0.00 C ATOM 1326 CD GLU A 97 -2.435 -11.141 -2.652 1.00 0.00 C ATOM 1327 OE1 GLU A 97 -1.222 -10.812 -2.575 1.00 0.00 O ATOM 1328 OE2 GLU A 97 -2.801 -12.339 -2.800 1.00 0.00 O ATOM 0 H GLU A 97 -2.903 -6.238 -1.261 1.00 0.00 H new ATOM 0 HA GLU A 97 -4.816 -7.540 -3.065 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -2.638 -8.442 -3.515 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -2.252 -8.547 -1.809 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -4.073 -10.284 -1.579 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -4.257 -10.246 -3.322 1.00 0.00 H new ATOM 1335 N LYS A 98 -5.979 -8.626 -1.110 1.00 0.00 N ATOM 1336 CA LYS A 98 -6.834 -9.100 -0.066 1.00 0.00 C ATOM 1337 C LYS A 98 -6.198 -9.820 1.074 1.00 0.00 C ATOM 1338 O LYS A 98 -5.402 -10.744 0.917 1.00 0.00 O ATOM 1339 CB LYS A 98 -8.028 -9.883 -0.636 1.00 0.00 C ATOM 1340 CG LYS A 98 -7.863 -11.384 -0.879 1.00 0.00 C ATOM 1341 CD LYS A 98 -6.812 -11.740 -1.933 1.00 0.00 C ATOM 1342 CE LYS A 98 -6.284 -13.168 -1.784 1.00 0.00 C ATOM 1343 NZ LYS A 98 -5.200 -13.457 -2.750 1.00 0.00 N ATOM 0 H LYS A 98 -6.335 -8.873 -2.033 1.00 0.00 H new ATOM 0 HA LYS A 98 -7.180 -8.178 0.403 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -8.869 -9.747 0.044 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -8.306 -9.422 -1.584 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -7.595 -11.865 0.062 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -8.823 -11.798 -1.186 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -7.244 -11.619 -2.926 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -5.980 -11.040 -1.860 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -5.915 -13.315 -0.769 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -7.101 -13.875 -1.932 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -4.950 -14.465 -2.700 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -5.522 -13.228 -3.712 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -4.365 -12.881 -2.518 1.00 0.00 H new ATOM 1434 N LEU B 206 9.574 -3.164 14.001 1.00 0.00 N ATOM 1435 CA LEU B 206 8.662 -2.763 12.975 1.00 0.00 C ATOM 1436 C LEU B 206 7.578 -1.881 13.492 1.00 0.00 C ATOM 1437 O LEU B 206 7.606 -1.442 14.640 1.00 0.00 O ATOM 1438 CB LEU B 206 8.123 -3.955 12.167 1.00 0.00 C ATOM 1439 CG LEU B 206 6.859 -4.701 12.625 1.00 0.00 C ATOM 1440 CD1 LEU B 206 6.802 -6.001 11.806 1.00 0.00 C ATOM 1441 CD2 LEU B 206 6.838 -5.071 14.118 1.00 0.00 C ATOM 0 HA LEU B 206 9.236 -2.159 12.273 1.00 0.00 H new ATOM 0 HB2 LEU B 206 7.937 -3.599 11.154 1.00 0.00 H new ATOM 0 HB3 LEU B 206 8.925 -4.690 12.104 1.00 0.00 H new ATOM 0 HG LEU B 206 6.008 -4.038 12.471 1.00 0.00 H new ATOM 0 HD11 LEU B 206 5.919 -6.573 12.092 1.00 0.00 H new ATOM 0 HD12 LEU B 206 6.750 -5.760 10.744 1.00 0.00 H new ATOM 0 HD13 LEU B 206 7.696 -6.593 12.000 1.00 0.00 H new ATOM 0 HD21 LEU B 206 5.910 -5.594 14.350 1.00 0.00 H new ATOM 0 HD22 LEU B 206 7.685 -5.718 14.344 1.00 0.00 H new ATOM 0 HD23 LEU B 206 6.904 -4.164 14.719 1.00 0.00 H new ATOM 1453 N VAL B 207 6.601 -1.571 12.620 1.00 0.00 N ATOM 1454 CA VAL B 207 5.487 -0.710 12.865 1.00 0.00 C ATOM 1455 C VAL B 207 5.857 0.731 12.960 1.00 0.00 C ATOM 1456 O VAL B 207 6.609 1.197 13.814 1.00 0.00 O ATOM 1457 CB VAL B 207 4.503 -1.234 13.870 1.00 0.00 C ATOM 1458 CG1 VAL B 207 3.675 -0.108 14.512 1.00 0.00 C ATOM 1459 CG2 VAL B 207 3.604 -2.269 13.174 1.00 0.00 C ATOM 0 H VAL B 207 6.591 -1.952 11.674 1.00 0.00 H new ATOM 0 HA VAL B 207 4.885 -0.734 11.956 1.00 0.00 H new ATOM 0 HB VAL B 207 5.046 -1.708 14.688 1.00 0.00 H new ATOM 0 HG11 VAL B 207 2.977 -0.535 15.232 1.00 0.00 H new ATOM 0 HG12 VAL B 207 4.341 0.588 15.021 1.00 0.00 H new ATOM 0 HG13 VAL B 207 3.119 0.422 13.738 1.00 0.00 H new ATOM 0 HG21 VAL B 207 2.881 -2.662 13.889 1.00 0.00 H new ATOM 0 HG22 VAL B 207 3.076 -1.794 12.347 1.00 0.00 H new ATOM 0 HG23 VAL B 207 4.217 -3.085 12.792 1.00 0.00 H new ATOM 1469 N THR B 208 5.349 1.494 11.977 1.00 0.00 N ATOM 1470 CA THR B 208 5.581 2.897 11.827 1.00 0.00 C ATOM 1471 C THR B 208 4.359 3.341 11.098 1.00 0.00 C ATOM 1472 O THR B 208 4.016 2.712 10.098 1.00 0.00 O ATOM 1473 CB THR B 208 6.776 3.229 10.984 1.00 0.00 C ATOM 1474 OG1 THR B 208 7.977 2.800 11.606 1.00 0.00 O ATOM 1475 CG2 THR B 208 6.924 4.733 10.700 1.00 0.00 C ATOM 0 H THR B 208 4.745 1.113 11.249 1.00 0.00 H new ATOM 0 HA THR B 208 5.770 3.368 12.792 1.00 0.00 H new ATOM 0 HB THR B 208 6.608 2.705 10.043 1.00 0.00 H new ATOM 0 HG1 THR B 208 8.746 3.164 11.119 1.00 0.00 H new ATOM 0 HG21 THR B 208 7.808 4.902 10.086 1.00 0.00 H new ATOM 0 HG22 THR B 208 6.041 5.092 10.171 1.00 0.00 H new ATOM 0 HG23 THR B 208 7.028 5.273 11.641 1.00 0.00 H new ATOM 1483 N SER B 209 3.664 4.388 11.577 1.00 0.00 N ATOM 1484 CA SER B 209 2.564 5.012 10.911 1.00 0.00 C ATOM 1485 C SER B 209 3.057 5.841 9.776 1.00 0.00 C ATOM 1486 O SER B 209 3.992 6.629 9.923 1.00 0.00 O ATOM 1487 CB SER B 209 1.663 5.861 11.823 1.00 0.00 C ATOM 1488 OG SER B 209 2.348 6.936 12.450 1.00 0.00 O ATOM 0 H SER B 209 3.881 4.821 12.475 1.00 0.00 H new ATOM 0 HA SER B 209 1.939 4.195 10.550 1.00 0.00 H new ATOM 0 HB2 SER B 209 0.837 6.260 11.235 1.00 0.00 H new ATOM 0 HB3 SER B 209 1.228 5.220 12.590 1.00 0.00 H new ATOM 0 HG SER B 209 1.723 7.438 13.014 1.00 0.00 H new ATOM 1494 N VAL B 210 2.481 5.650 8.577 1.00 0.00 N ATOM 1495 CA VAL B 210 3.085 6.069 7.351 1.00 0.00 C ATOM 1496 C VAL B 210 1.937 6.180 6.358 1.00 0.00 C ATOM 1497 O VAL B 210 0.827 5.637 6.602 1.00 0.00 O ATOM 1498 CB VAL B 210 4.170 5.125 6.926 1.00 0.00 C ATOM 1499 CG1 VAL B 210 3.638 3.706 6.663 1.00 0.00 C ATOM 1500 CG2 VAL B 210 4.908 5.682 5.697 1.00 0.00 C ATOM 1501 OXT VAL B 210 2.116 6.927 5.358 1.00 0.00 O ATOM 0 H VAL B 210 1.576 5.195 8.456 1.00 0.00 H new ATOM 0 HA VAL B 210 3.596 7.028 7.439 1.00 0.00 H new ATOM 0 HB VAL B 210 4.878 5.042 7.751 1.00 0.00 H new ATOM 0 HG11 VAL B 210 4.461 3.060 6.358 1.00 0.00 H new ATOM 0 HG12 VAL B 210 3.186 3.313 7.573 1.00 0.00 H new ATOM 0 HG13 VAL B 210 2.890 3.739 5.871 1.00 0.00 H new ATOM 0 HG21 VAL B 210 5.693 4.987 5.398 1.00 0.00 H new ATOM 0 HG22 VAL B 210 4.203 5.808 4.875 1.00 0.00 H new ATOM 0 HG23 VAL B 210 5.352 6.646 5.945 1.00 0.00 H new