USER MOD reduce.3.24.130724 H: found=0, std=0, add=649, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 650 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 32 LYS NZ :NH3+ 171:sc= 2.27 (180deg=0.932) USER MOD Set 1.2: A 62 THR OG1 : rot -45:sc= 1.64 USER MOD Set 2.1: A 26 MET CE :methyl -166:sc= -3.27! (180deg=-3.77!) USER MOD Set 2.2: A 27 SER OG : rot 180:sc= 0.021 USER MOD Set 3.1: A 11 THR OG1 : rot 180:sc= -0.0124 USER MOD Set 3.2: A 14 THR OG1 : rot 25:sc= -1.17! USER MOD Single : A 5 TYR OH : rot 130:sc= 1 USER MOD Single : A 10 THR OG1 : rot 180:sc= -0.409 USER MOD Single : A 12 ASN : amide:sc= 0.461 K(o=0.46,f=-1) USER MOD Single : A 18 MET CE :methyl -164:sc= -0.0498 (180deg=-0.638) USER MOD Single : A 20 LYS NZ :NH3+ 138:sc= 0.656 (180deg=-0.0373) USER MOD Single : A 21 LYS NZ :NH3+ -137:sc= 1.16 (180deg=0.882) USER MOD Single : A 22 TYR OH : rot 180:sc= -0.0361 USER MOD Single : A 29 ASN : amide:sc= -0.928 K(o=-0.93,f=-4.3!) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 THR OG1 : rot 180:sc= -0.295 USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 46 MET CE :methyl -140:sc= -0.287 (180deg=-3.13!) USER MOD Single : A 49 GLN : amide:sc= 0 K(o=0,f=-0.68) USER MOD Single : A 56 GLN : amide:sc= -0.12 K(o=-0.12,f=-0.76) USER MOD Single : A 58 LYS NZ :NH3+ 174:sc= 0.14! (180deg=-0.25!) USER MOD Single : A 66 LYS NZ :NH3+ 169:sc= 1.29 (180deg=1.19) USER MOD Single : A 67 SER OG : rot 180:sc= 0.0288 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 HIS : no HD1:sc= 0 X(o=0,f=-0.022) USER MOD Single : A 85 THR OG1 : rot 173:sc= -0.443 USER MOD ----------------------------------------------------------------- ATOM 32 N GLU A 3 -16.123 -0.928 -5.348 1.00 0.00 N ATOM 33 CA GLU A 3 -14.913 -0.199 -5.300 1.00 0.00 C ATOM 34 C GLU A 3 -14.068 -0.700 -4.168 1.00 0.00 C ATOM 35 O GLU A 3 -13.862 -0.038 -3.153 1.00 0.00 O ATOM 36 CB GLU A 3 -15.229 1.301 -5.224 1.00 0.00 C ATOM 37 CG GLU A 3 -14.047 2.223 -5.264 1.00 0.00 C ATOM 38 CD GLU A 3 -14.458 3.668 -5.259 1.00 0.00 C ATOM 39 OE1 GLU A 3 -14.647 4.242 -4.165 1.00 0.00 O ATOM 40 OE2 GLU A 3 -14.607 4.251 -6.337 1.00 0.00 O ATOM 0 HA GLU A 3 -14.327 -0.349 -6.207 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -15.892 1.555 -6.051 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -15.781 1.490 -4.304 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -13.405 2.026 -4.406 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -13.457 2.017 -6.157 1.00 0.00 H new ATOM 47 N VAL A 4 -13.633 -1.909 -4.331 1.00 0.00 N ATOM 48 CA VAL A 4 -12.843 -2.593 -3.363 1.00 0.00 C ATOM 49 C VAL A 4 -11.762 -3.385 -4.056 1.00 0.00 C ATOM 50 O VAL A 4 -11.939 -3.819 -5.204 1.00 0.00 O ATOM 51 CB VAL A 4 -13.687 -3.559 -2.463 1.00 0.00 C ATOM 52 CG1 VAL A 4 -14.655 -2.792 -1.584 1.00 0.00 C ATOM 53 CG2 VAL A 4 -14.443 -4.581 -3.308 1.00 0.00 C ATOM 0 H VAL A 4 -13.825 -2.462 -5.167 1.00 0.00 H new ATOM 0 HA VAL A 4 -12.410 -1.832 -2.714 1.00 0.00 H new ATOM 0 HB VAL A 4 -12.987 -4.091 -1.819 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -15.225 -3.492 -0.973 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -14.099 -2.114 -0.936 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -15.338 -2.218 -2.210 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -15.019 -5.237 -2.656 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -15.118 -4.062 -3.989 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -13.732 -5.174 -3.883 1.00 0.00 H new ATOM 63 N TYR A 5 -10.661 -3.534 -3.408 1.00 0.00 N ATOM 64 CA TYR A 5 -9.572 -4.346 -3.907 1.00 0.00 C ATOM 65 C TYR A 5 -9.229 -5.389 -2.878 1.00 0.00 C ATOM 66 O TYR A 5 -9.312 -5.123 -1.676 1.00 0.00 O ATOM 67 CB TYR A 5 -8.314 -3.502 -4.183 1.00 0.00 C ATOM 68 CG TYR A 5 -8.470 -2.388 -5.195 1.00 0.00 C ATOM 69 CD1 TYR A 5 -8.930 -2.638 -6.476 1.00 0.00 C ATOM 70 CD2 TYR A 5 -8.143 -1.086 -4.867 1.00 0.00 C ATOM 71 CE1 TYR A 5 -9.062 -1.623 -7.399 1.00 0.00 C ATOM 72 CE2 TYR A 5 -8.271 -0.068 -5.791 1.00 0.00 C ATOM 73 CZ TYR A 5 -8.729 -0.346 -7.054 1.00 0.00 C ATOM 74 OH TYR A 5 -8.868 0.668 -7.979 1.00 0.00 O ATOM 0 H TYR A 5 -10.474 -3.097 -2.505 1.00 0.00 H new ATOM 0 HA TYR A 5 -9.894 -4.804 -4.842 1.00 0.00 H new ATOM 0 HB2 TYR A 5 -7.980 -3.066 -3.242 1.00 0.00 H new ATOM 0 HB3 TYR A 5 -7.522 -4.168 -4.525 1.00 0.00 H new ATOM 0 HD1 TYR A 5 -9.190 -3.648 -6.758 1.00 0.00 H new ATOM 0 HD2 TYR A 5 -7.782 -0.862 -3.874 1.00 0.00 H new ATOM 0 HE1 TYR A 5 -9.428 -1.838 -8.392 1.00 0.00 H new ATOM 0 HE2 TYR A 5 -8.011 0.945 -5.520 1.00 0.00 H new ATOM 0 HH TYR A 5 -9.363 1.412 -7.577 1.00 0.00 H new ATOM 84 N ASP A 6 -8.923 -6.578 -3.320 1.00 0.00 N ATOM 85 CA ASP A 6 -8.395 -7.587 -2.435 1.00 0.00 C ATOM 86 C ASP A 6 -6.908 -7.541 -2.565 1.00 0.00 C ATOM 87 O ASP A 6 -6.343 -7.792 -3.647 1.00 0.00 O ATOM 88 CB ASP A 6 -8.898 -8.993 -2.740 1.00 0.00 C ATOM 89 CG ASP A 6 -10.389 -9.156 -2.567 1.00 0.00 C ATOM 90 OD1 ASP A 6 -10.861 -9.201 -1.415 1.00 0.00 O ATOM 91 OD2 ASP A 6 -11.122 -9.264 -3.584 1.00 0.00 O ATOM 0 H ASP A 6 -9.030 -6.875 -4.290 1.00 0.00 H new ATOM 0 HA ASP A 6 -8.732 -7.371 -1.421 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -8.630 -9.251 -3.765 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -8.386 -9.702 -2.089 1.00 0.00 H new ATOM 96 N LEU A 7 -6.284 -7.201 -1.506 1.00 0.00 N ATOM 97 CA LEU A 7 -4.878 -6.994 -1.465 1.00 0.00 C ATOM 98 C LEU A 7 -4.166 -8.173 -0.866 1.00 0.00 C ATOM 99 O LEU A 7 -4.747 -8.960 -0.102 1.00 0.00 O ATOM 100 CB LEU A 7 -4.509 -5.737 -0.655 1.00 0.00 C ATOM 101 CG LEU A 7 -4.921 -4.349 -1.191 1.00 0.00 C ATOM 102 CD1 LEU A 7 -6.416 -4.138 -1.159 1.00 0.00 C ATOM 103 CD2 LEU A 7 -4.231 -3.268 -0.408 1.00 0.00 C ATOM 0 H LEU A 7 -6.747 -7.052 -0.609 1.00 0.00 H new ATOM 0 HA LEU A 7 -4.560 -6.862 -2.499 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -4.943 -5.847 0.339 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -3.426 -5.733 -0.531 1.00 0.00 H new ATOM 0 HG LEU A 7 -4.611 -4.302 -2.235 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -6.652 -3.147 -1.546 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -6.903 -4.894 -1.775 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -6.773 -4.221 -0.133 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -4.528 -2.293 -0.794 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -4.512 -3.344 0.642 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -3.151 -3.382 -0.504 1.00 0.00 H new ATOM 115 N GLU A 8 -2.924 -8.293 -1.218 1.00 0.00 N ATOM 116 CA GLU A 8 -2.047 -9.279 -0.670 1.00 0.00 C ATOM 117 C GLU A 8 -1.052 -8.543 0.187 1.00 0.00 C ATOM 118 O GLU A 8 -0.291 -7.723 -0.288 1.00 0.00 O ATOM 119 CB GLU A 8 -1.355 -10.017 -1.805 1.00 0.00 C ATOM 120 CG GLU A 8 -0.365 -11.085 -1.392 1.00 0.00 C ATOM 121 CD GLU A 8 0.215 -11.801 -2.590 1.00 0.00 C ATOM 122 OE1 GLU A 8 1.176 -11.306 -3.194 1.00 0.00 O ATOM 123 OE2 GLU A 8 -0.289 -12.883 -2.943 1.00 0.00 O ATOM 0 H GLU A 8 -2.481 -7.692 -1.913 1.00 0.00 H new ATOM 0 HA GLU A 8 -2.582 -10.018 -0.073 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -2.118 -10.479 -2.431 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -0.835 -9.286 -2.424 1.00 0.00 H new ATOM 0 HG2 GLU A 8 0.440 -10.631 -0.814 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -0.858 -11.806 -0.740 1.00 0.00 H new ATOM 130 N ILE A 9 -1.103 -8.789 1.433 1.00 0.00 N ATOM 131 CA ILE A 9 -0.254 -8.104 2.362 1.00 0.00 C ATOM 132 C ILE A 9 0.930 -8.964 2.723 1.00 0.00 C ATOM 133 O ILE A 9 0.786 -10.130 3.098 1.00 0.00 O ATOM 134 CB ILE A 9 -0.990 -7.631 3.679 1.00 0.00 C ATOM 135 CG1 ILE A 9 -2.137 -6.613 3.406 1.00 0.00 C ATOM 136 CG2 ILE A 9 -0.001 -7.035 4.682 1.00 0.00 C ATOM 137 CD1 ILE A 9 -3.359 -7.163 2.698 1.00 0.00 C ATOM 0 H ILE A 9 -1.732 -9.471 1.856 1.00 0.00 H new ATOM 0 HA ILE A 9 0.075 -7.200 1.850 1.00 0.00 H new ATOM 0 HB ILE A 9 -1.443 -8.527 4.103 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -2.454 -6.189 4.359 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -1.735 -5.794 2.810 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -0.537 -6.719 5.577 1.00 0.00 H new ATOM 0 HG22 ILE A 9 0.742 -7.786 4.950 1.00 0.00 H new ATOM 0 HG23 ILE A 9 0.497 -6.175 4.235 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -4.090 -6.366 2.562 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -3.068 -7.559 1.725 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -3.799 -7.960 3.297 1.00 0.00 H new ATOM 149 N THR A 10 2.063 -8.385 2.600 1.00 0.00 N ATOM 150 CA THR A 10 3.318 -8.992 2.924 1.00 0.00 C ATOM 151 C THR A 10 3.975 -8.163 3.987 1.00 0.00 C ATOM 152 O THR A 10 3.760 -6.959 4.039 1.00 0.00 O ATOM 153 CB THR A 10 4.225 -9.090 1.683 1.00 0.00 C ATOM 154 OG1 THR A 10 4.241 -7.846 0.970 1.00 0.00 O ATOM 155 CG2 THR A 10 3.788 -10.207 0.780 1.00 0.00 C ATOM 0 H THR A 10 2.157 -7.430 2.255 1.00 0.00 H new ATOM 0 HA THR A 10 3.151 -10.007 3.283 1.00 0.00 H new ATOM 0 HB THR A 10 5.237 -9.308 2.024 1.00 0.00 H new ATOM 0 HG1 THR A 10 4.823 -7.926 0.186 1.00 0.00 H new ATOM 0 HG21 THR A 10 4.446 -10.252 -0.088 1.00 0.00 H new ATOM 0 HG22 THR A 10 3.835 -11.152 1.321 1.00 0.00 H new ATOM 0 HG23 THR A 10 2.765 -10.029 0.450 1.00 0.00 H new ATOM 163 N THR A 11 4.765 -8.761 4.818 1.00 0.00 N ATOM 164 CA THR A 11 5.330 -8.031 5.901 1.00 0.00 C ATOM 165 C THR A 11 6.738 -8.491 6.148 1.00 0.00 C ATOM 166 O THR A 11 7.144 -9.584 5.776 1.00 0.00 O ATOM 167 CB THR A 11 4.498 -8.195 7.202 1.00 0.00 C ATOM 168 OG1 THR A 11 3.100 -8.162 6.901 1.00 0.00 O ATOM 169 CG2 THR A 11 4.781 -7.082 8.219 1.00 0.00 C ATOM 0 H THR A 11 5.031 -9.744 4.768 1.00 0.00 H new ATOM 0 HA THR A 11 5.325 -6.976 5.626 1.00 0.00 H new ATOM 0 HB THR A 11 4.786 -9.153 7.634 1.00 0.00 H new ATOM 0 HG1 THR A 11 2.585 -8.268 7.728 1.00 0.00 H new ATOM 0 HG21 THR A 11 4.175 -7.242 9.111 1.00 0.00 H new ATOM 0 HG22 THR A 11 5.837 -7.097 8.490 1.00 0.00 H new ATOM 0 HG23 THR A 11 4.533 -6.116 7.780 1.00 0.00 H new ATOM 177 N ASN A 12 7.409 -7.634 6.780 1.00 0.00 N ATOM 178 CA ASN A 12 8.804 -7.695 7.189 1.00 0.00 C ATOM 179 C ASN A 12 9.152 -8.967 7.911 1.00 0.00 C ATOM 180 O ASN A 12 10.250 -9.508 7.748 1.00 0.00 O ATOM 181 CB ASN A 12 9.049 -6.489 8.100 1.00 0.00 C ATOM 182 CG ASN A 12 10.406 -6.419 8.773 1.00 0.00 C ATOM 183 OD1 ASN A 12 11.405 -6.897 8.266 1.00 0.00 O ATOM 184 ND2 ASN A 12 10.438 -5.812 9.927 1.00 0.00 N ATOM 0 H ASN A 12 6.978 -6.758 7.075 1.00 0.00 H new ATOM 0 HA ASN A 12 9.438 -7.677 6.302 1.00 0.00 H new ATOM 0 HB2 ASN A 12 8.912 -5.582 7.511 1.00 0.00 H new ATOM 0 HB3 ASN A 12 8.282 -6.484 8.875 1.00 0.00 H new ATOM 0 HD21 ASN A 12 11.319 -5.726 10.434 1.00 0.00 H new ATOM 0 HD22 ASN A 12 9.582 -5.423 10.323 1.00 0.00 H new ATOM 191 N ALA A 13 8.235 -9.457 8.670 1.00 0.00 N ATOM 192 CA ALA A 13 8.524 -10.587 9.477 1.00 0.00 C ATOM 193 C ALA A 13 7.528 -11.706 9.279 1.00 0.00 C ATOM 194 O ALA A 13 7.464 -12.661 10.072 1.00 0.00 O ATOM 195 CB ALA A 13 8.656 -10.157 10.917 1.00 0.00 C ATOM 0 H ALA A 13 7.285 -9.095 8.748 1.00 0.00 H new ATOM 0 HA ALA A 13 9.479 -11.007 9.163 1.00 0.00 H new ATOM 0 HB1 ALA A 13 8.878 -11.025 11.537 1.00 0.00 H new ATOM 0 HB2 ALA A 13 9.464 -9.431 11.007 1.00 0.00 H new ATOM 0 HB3 ALA A 13 7.722 -9.704 11.249 1.00 0.00 H new ATOM 201 N THR A 14 6.782 -11.627 8.214 1.00 0.00 N ATOM 202 CA THR A 14 5.817 -12.652 7.915 1.00 0.00 C ATOM 203 C THR A 14 6.169 -13.308 6.606 1.00 0.00 C ATOM 204 O THR A 14 6.378 -12.620 5.610 1.00 0.00 O ATOM 205 CB THR A 14 4.391 -12.084 7.820 1.00 0.00 C ATOM 206 OG1 THR A 14 4.347 -11.083 6.798 1.00 0.00 O ATOM 207 CG2 THR A 14 3.953 -11.479 9.146 1.00 0.00 C ATOM 0 H THR A 14 6.822 -10.865 7.537 1.00 0.00 H new ATOM 0 HA THR A 14 5.843 -13.378 8.728 1.00 0.00 H new ATOM 0 HB THR A 14 3.710 -12.899 7.575 1.00 0.00 H new ATOM 0 HG1 THR A 14 5.059 -11.250 6.146 1.00 0.00 H new ATOM 0 HG21 THR A 14 2.941 -11.085 9.050 1.00 0.00 H new ATOM 0 HG22 THR A 14 3.972 -12.246 9.920 1.00 0.00 H new ATOM 0 HG23 THR A 14 4.632 -10.671 9.419 1.00 0.00 H new ATOM 215 N ASP A 15 6.233 -14.598 6.592 1.00 0.00 N ATOM 216 CA ASP A 15 6.523 -15.313 5.362 1.00 0.00 C ATOM 217 C ASP A 15 5.223 -15.638 4.640 1.00 0.00 C ATOM 218 O ASP A 15 5.185 -15.779 3.417 1.00 0.00 O ATOM 219 CB ASP A 15 7.339 -16.574 5.642 1.00 0.00 C ATOM 220 CG ASP A 15 7.592 -17.409 4.405 1.00 0.00 C ATOM 221 OD1 ASP A 15 8.368 -16.984 3.522 1.00 0.00 O ATOM 222 OD2 ASP A 15 7.033 -18.520 4.317 1.00 0.00 O ATOM 0 H ASP A 15 6.091 -15.191 7.409 1.00 0.00 H new ATOM 0 HA ASP A 15 7.128 -14.677 4.715 1.00 0.00 H new ATOM 0 HB2 ASP A 15 8.295 -16.290 6.082 1.00 0.00 H new ATOM 0 HB3 ASP A 15 6.816 -17.181 6.381 1.00 0.00 H new ATOM 227 N PHE A 16 4.157 -15.716 5.400 1.00 0.00 N ATOM 228 CA PHE A 16 2.845 -15.972 4.855 1.00 0.00 C ATOM 229 C PHE A 16 2.126 -14.646 4.583 1.00 0.00 C ATOM 230 O PHE A 16 1.966 -13.813 5.493 1.00 0.00 O ATOM 231 CB PHE A 16 2.022 -16.839 5.820 1.00 0.00 C ATOM 232 CG PHE A 16 0.617 -17.148 5.352 1.00 0.00 C ATOM 233 CD1 PHE A 16 0.387 -18.124 4.399 1.00 0.00 C ATOM 234 CD2 PHE A 16 -0.469 -16.455 5.870 1.00 0.00 C ATOM 235 CE1 PHE A 16 -0.895 -18.405 3.967 1.00 0.00 C ATOM 236 CE2 PHE A 16 -1.751 -16.734 5.443 1.00 0.00 C ATOM 237 CZ PHE A 16 -1.964 -17.709 4.490 1.00 0.00 C ATOM 0 H PHE A 16 4.174 -15.604 6.414 1.00 0.00 H new ATOM 0 HA PHE A 16 2.954 -16.514 3.916 1.00 0.00 H new ATOM 0 HB2 PHE A 16 2.551 -17.778 5.983 1.00 0.00 H new ATOM 0 HB3 PHE A 16 1.966 -16.333 6.784 1.00 0.00 H new ATOM 0 HD1 PHE A 16 1.221 -18.674 3.987 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -0.309 -15.690 6.615 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -1.059 -19.168 3.221 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -2.588 -16.189 5.855 1.00 0.00 H new ATOM 0 HZ PHE A 16 -2.967 -17.927 4.154 1.00 0.00 H new ATOM 247 N PRO A 17 1.699 -14.429 3.331 1.00 0.00 N ATOM 248 CA PRO A 17 0.990 -13.223 2.943 1.00 0.00 C ATOM 249 C PRO A 17 -0.482 -13.298 3.337 1.00 0.00 C ATOM 250 O PRO A 17 -1.091 -14.368 3.310 1.00 0.00 O ATOM 251 CB PRO A 17 1.143 -13.192 1.425 1.00 0.00 C ATOM 252 CG PRO A 17 1.298 -14.619 1.016 1.00 0.00 C ATOM 253 CD PRO A 17 1.871 -15.359 2.204 1.00 0.00 C ATOM 0 HA PRO A 17 1.381 -12.330 3.431 1.00 0.00 H new ATOM 0 HB2 PRO A 17 0.272 -12.739 0.951 1.00 0.00 H new ATOM 0 HB3 PRO A 17 2.010 -12.601 1.129 1.00 0.00 H new ATOM 0 HG2 PRO A 17 0.337 -15.043 0.724 1.00 0.00 H new ATOM 0 HG3 PRO A 17 1.959 -14.703 0.153 1.00 0.00 H new ATOM 0 HD2 PRO A 17 1.345 -16.297 2.379 1.00 0.00 H new ATOM 0 HD3 PRO A 17 2.921 -15.606 2.049 1.00 0.00 H new ATOM 261 N MET A 18 -1.047 -12.175 3.669 1.00 0.00 N ATOM 262 CA MET A 18 -2.412 -12.119 4.147 1.00 0.00 C ATOM 263 C MET A 18 -3.280 -11.446 3.115 1.00 0.00 C ATOM 264 O MET A 18 -2.882 -10.454 2.530 1.00 0.00 O ATOM 265 CB MET A 18 -2.483 -11.333 5.466 1.00 0.00 C ATOM 266 CG MET A 18 -3.892 -11.214 6.047 1.00 0.00 C ATOM 267 SD MET A 18 -3.975 -10.179 7.528 1.00 0.00 S ATOM 268 CE MET A 18 -2.892 -11.081 8.645 1.00 0.00 C ATOM 0 H MET A 18 -0.582 -11.269 3.619 1.00 0.00 H new ATOM 0 HA MET A 18 -2.767 -13.135 4.320 1.00 0.00 H new ATOM 0 HB2 MET A 18 -1.839 -11.817 6.200 1.00 0.00 H new ATOM 0 HB3 MET A 18 -2.084 -10.332 5.302 1.00 0.00 H new ATOM 0 HG2 MET A 18 -4.556 -10.802 5.287 1.00 0.00 H new ATOM 0 HG3 MET A 18 -4.263 -12.210 6.288 1.00 0.00 H new ATOM 0 HE1 MET A 18 -3.058 -10.740 9.667 1.00 0.00 H new ATOM 0 HE2 MET A 18 -3.108 -12.147 8.579 1.00 0.00 H new ATOM 0 HE3 MET A 18 -1.853 -10.903 8.367 1.00 0.00 H new ATOM 278 N GLU A 19 -4.438 -11.977 2.885 1.00 0.00 N ATOM 279 CA GLU A 19 -5.352 -11.380 1.954 1.00 0.00 C ATOM 280 C GLU A 19 -6.447 -10.634 2.696 1.00 0.00 C ATOM 281 O GLU A 19 -7.071 -11.176 3.620 1.00 0.00 O ATOM 282 CB GLU A 19 -5.931 -12.426 1.026 1.00 0.00 C ATOM 283 CG GLU A 19 -6.683 -13.542 1.720 1.00 0.00 C ATOM 284 CD GLU A 19 -7.185 -14.568 0.761 1.00 0.00 C ATOM 285 OE1 GLU A 19 -8.007 -14.224 -0.100 1.00 0.00 O ATOM 286 OE2 GLU A 19 -6.797 -15.740 0.878 1.00 0.00 O ATOM 0 H GLU A 19 -4.778 -12.829 3.331 1.00 0.00 H new ATOM 0 HA GLU A 19 -4.807 -10.661 1.342 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -6.604 -11.935 0.323 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -5.121 -12.861 0.441 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -6.029 -14.019 2.450 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -7.524 -13.122 2.272 1.00 0.00 H new ATOM 293 N LYS A 20 -6.641 -9.396 2.333 1.00 0.00 N ATOM 294 CA LYS A 20 -7.632 -8.550 2.919 1.00 0.00 C ATOM 295 C LYS A 20 -8.263 -7.667 1.865 1.00 0.00 C ATOM 296 O LYS A 20 -7.620 -7.311 0.880 1.00 0.00 O ATOM 297 CB LYS A 20 -7.017 -7.694 4.014 1.00 0.00 C ATOM 298 CG LYS A 20 -6.679 -8.426 5.309 1.00 0.00 C ATOM 299 CD LYS A 20 -7.936 -8.996 5.955 1.00 0.00 C ATOM 300 CE LYS A 20 -7.634 -9.773 7.226 1.00 0.00 C ATOM 301 NZ LYS A 20 -6.999 -8.944 8.264 1.00 0.00 N ATOM 0 H LYS A 20 -6.097 -8.940 1.601 1.00 0.00 H new ATOM 0 HA LYS A 20 -8.406 -9.180 3.358 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -6.106 -7.239 3.626 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -7.706 -6.882 4.246 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -5.974 -9.231 5.103 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -6.188 -7.742 6.001 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -8.624 -8.182 6.185 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -8.442 -9.650 5.244 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -8.560 -10.193 7.619 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -6.980 -10.612 6.987 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -7.416 -9.168 9.190 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -5.978 -9.139 8.288 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -7.154 -7.939 8.048 1.00 0.00 H new ATOM 315 N LYS A 21 -9.502 -7.321 2.080 1.00 0.00 N ATOM 316 CA LYS A 21 -10.251 -6.507 1.157 1.00 0.00 C ATOM 317 C LYS A 21 -10.318 -5.089 1.691 1.00 0.00 C ATOM 318 O LYS A 21 -10.661 -4.882 2.858 1.00 0.00 O ATOM 319 CB LYS A 21 -11.672 -7.062 1.024 1.00 0.00 C ATOM 320 CG LYS A 21 -12.525 -6.378 -0.035 1.00 0.00 C ATOM 321 CD LYS A 21 -13.967 -6.892 -0.025 1.00 0.00 C ATOM 322 CE LYS A 21 -14.063 -8.408 -0.219 1.00 0.00 C ATOM 323 NZ LYS A 21 -13.450 -8.864 -1.486 1.00 0.00 N ATOM 0 H LYS A 21 -10.028 -7.598 2.909 1.00 0.00 H new ATOM 0 HA LYS A 21 -9.764 -6.515 0.182 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -11.612 -8.125 0.792 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -12.174 -6.974 1.988 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -12.522 -5.301 0.136 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -12.086 -6.546 -1.019 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -14.437 -6.622 0.921 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -14.530 -6.394 -0.814 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -13.574 -8.908 0.617 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -15.111 -8.706 -0.200 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -14.066 -9.571 -1.935 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -13.330 -8.053 -2.126 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -12.522 -9.289 -1.289 1.00 0.00 H new ATOM 337 N TYR A 22 -9.992 -4.129 0.867 1.00 0.00 N ATOM 338 CA TYR A 22 -10.051 -2.744 1.260 1.00 0.00 C ATOM 339 C TYR A 22 -10.676 -1.916 0.165 1.00 0.00 C ATOM 340 O TYR A 22 -10.387 -2.133 -1.018 1.00 0.00 O ATOM 341 CB TYR A 22 -8.665 -2.183 1.644 1.00 0.00 C ATOM 342 CG TYR A 22 -8.080 -2.788 2.900 1.00 0.00 C ATOM 343 CD1 TYR A 22 -8.556 -2.411 4.146 1.00 0.00 C ATOM 344 CD2 TYR A 22 -7.072 -3.739 2.846 1.00 0.00 C ATOM 345 CE1 TYR A 22 -8.047 -2.957 5.301 1.00 0.00 C ATOM 346 CE2 TYR A 22 -6.557 -4.292 3.997 1.00 0.00 C ATOM 347 CZ TYR A 22 -7.046 -3.898 5.221 1.00 0.00 C ATOM 348 OH TYR A 22 -6.539 -4.456 6.376 1.00 0.00 O ATOM 0 H TYR A 22 -9.679 -4.282 -0.092 1.00 0.00 H new ATOM 0 HA TYR A 22 -10.675 -2.686 2.152 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -7.975 -2.351 0.817 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -8.746 -1.104 1.777 1.00 0.00 H new ATOM 0 HD1 TYR A 22 -9.342 -1.674 4.211 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -6.685 -4.050 1.887 1.00 0.00 H new ATOM 0 HE1 TYR A 22 -8.430 -2.650 6.263 1.00 0.00 H new ATOM 0 HE2 TYR A 22 -5.772 -5.032 3.939 1.00 0.00 H new ATOM 0 HH TYR A 22 -5.840 -5.103 6.147 1.00 0.00 H new ATOM 358 N PRO A 23 -11.577 -0.991 0.526 1.00 0.00 N ATOM 359 CA PRO A 23 -12.208 -0.093 -0.436 1.00 0.00 C ATOM 360 C PRO A 23 -11.178 0.766 -1.142 1.00 0.00 C ATOM 361 O PRO A 23 -10.230 1.241 -0.524 1.00 0.00 O ATOM 362 CB PRO A 23 -13.111 0.794 0.423 1.00 0.00 C ATOM 363 CG PRO A 23 -13.308 0.045 1.685 1.00 0.00 C ATOM 364 CD PRO A 23 -12.061 -0.755 1.896 1.00 0.00 C ATOM 0 HA PRO A 23 -12.744 -0.639 -1.212 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -12.648 1.763 0.609 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -14.062 0.985 -0.074 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -13.479 0.726 2.519 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -14.181 -0.605 1.620 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -11.330 -0.211 2.493 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -12.266 -1.690 2.417 1.00 0.00 H new ATOM 372 N ALA A 24 -11.372 0.980 -2.425 1.00 0.00 N ATOM 373 CA ALA A 24 -10.442 1.783 -3.213 1.00 0.00 C ATOM 374 C ALA A 24 -10.420 3.232 -2.765 1.00 0.00 C ATOM 375 O ALA A 24 -9.445 3.949 -2.973 1.00 0.00 O ATOM 376 CB ALA A 24 -10.754 1.682 -4.686 1.00 0.00 C ATOM 0 H ALA A 24 -12.164 0.612 -2.952 1.00 0.00 H new ATOM 0 HA ALA A 24 -9.445 1.376 -3.044 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -10.046 2.290 -5.250 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -10.674 0.643 -5.004 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -11.767 2.041 -4.869 1.00 0.00 H new ATOM 382 N GLY A 25 -11.488 3.636 -2.136 1.00 0.00 N ATOM 383 CA GLY A 25 -11.619 4.985 -1.642 1.00 0.00 C ATOM 384 C GLY A 25 -11.109 5.131 -0.223 1.00 0.00 C ATOM 385 O GLY A 25 -11.178 6.211 0.360 1.00 0.00 O ATOM 0 H GLY A 25 -12.295 3.041 -1.949 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -11.069 5.663 -2.295 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -12.667 5.284 -1.682 1.00 0.00 H new ATOM 389 N MET A 26 -10.598 4.054 0.333 1.00 0.00 N ATOM 390 CA MET A 26 -10.059 4.071 1.679 1.00 0.00 C ATOM 391 C MET A 26 -8.635 4.616 1.637 1.00 0.00 C ATOM 392 O MET A 26 -7.962 4.528 0.606 1.00 0.00 O ATOM 393 CB MET A 26 -10.065 2.646 2.264 1.00 0.00 C ATOM 394 CG MET A 26 -9.599 2.473 3.726 1.00 0.00 C ATOM 395 SD MET A 26 -10.823 2.948 5.010 1.00 0.00 S ATOM 396 CE MET A 26 -11.020 4.721 4.815 1.00 0.00 C ATOM 0 H MET A 26 -10.544 3.147 -0.130 1.00 0.00 H new ATOM 0 HA MET A 26 -10.674 4.709 2.314 1.00 0.00 H new ATOM 0 HB2 MET A 26 -11.079 2.255 2.186 1.00 0.00 H new ATOM 0 HB3 MET A 26 -9.433 2.021 1.633 1.00 0.00 H new ATOM 0 HG2 MET A 26 -9.324 1.430 3.880 1.00 0.00 H new ATOM 0 HG3 MET A 26 -8.696 3.066 3.873 1.00 0.00 H new ATOM 0 HE1 MET A 26 -11.533 5.128 5.686 1.00 0.00 H new ATOM 0 HE2 MET A 26 -10.040 5.188 4.721 1.00 0.00 H new ATOM 0 HE3 MET A 26 -11.607 4.926 3.920 1.00 0.00 H new ATOM 406 N SER A 27 -8.193 5.171 2.729 1.00 0.00 N ATOM 407 CA SER A 27 -6.876 5.713 2.839 1.00 0.00 C ATOM 408 C SER A 27 -5.898 4.627 3.172 1.00 0.00 C ATOM 409 O SER A 27 -6.244 3.626 3.823 1.00 0.00 O ATOM 410 CB SER A 27 -6.856 6.783 3.919 1.00 0.00 C ATOM 411 OG SER A 27 -7.407 6.290 5.127 1.00 0.00 O ATOM 0 H SER A 27 -8.749 5.259 3.579 1.00 0.00 H new ATOM 0 HA SER A 27 -6.590 6.159 1.886 1.00 0.00 H new ATOM 0 HB2 SER A 27 -5.832 7.114 4.090 1.00 0.00 H new ATOM 0 HB3 SER A 27 -7.421 7.653 3.585 1.00 0.00 H new ATOM 0 HG SER A 27 -7.383 6.994 5.809 1.00 0.00 H new ATOM 417 N LEU A 28 -4.685 4.808 2.718 1.00 0.00 N ATOM 418 CA LEU A 28 -3.623 3.884 3.010 1.00 0.00 C ATOM 419 C LEU A 28 -3.356 3.905 4.491 1.00 0.00 C ATOM 420 O LEU A 28 -3.042 2.904 5.078 1.00 0.00 O ATOM 421 CB LEU A 28 -2.369 4.315 2.296 1.00 0.00 C ATOM 422 CG LEU A 28 -1.186 3.348 2.327 1.00 0.00 C ATOM 423 CD1 LEU A 28 -1.506 2.065 1.575 1.00 0.00 C ATOM 424 CD2 LEU A 28 0.040 4.006 1.758 1.00 0.00 C ATOM 0 H LEU A 28 -4.407 5.599 2.137 1.00 0.00 H new ATOM 0 HA LEU A 28 -3.911 2.884 2.685 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -2.622 4.508 1.253 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -2.043 5.263 2.725 1.00 0.00 H new ATOM 0 HG LEU A 28 -0.990 3.084 3.366 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -0.646 1.396 1.614 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -2.366 1.578 2.036 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -1.736 2.300 0.536 1.00 0.00 H new ATOM 0 HD21 LEU A 28 0.875 3.306 1.786 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -0.151 4.301 0.726 1.00 0.00 H new ATOM 0 HD23 LEU A 28 0.286 4.889 2.348 1.00 0.00 H new ATOM 436 N ASN A 29 -3.530 5.070 5.084 1.00 0.00 N ATOM 437 CA ASN A 29 -3.253 5.264 6.516 1.00 0.00 C ATOM 438 C ASN A 29 -4.186 4.479 7.407 1.00 0.00 C ATOM 439 O ASN A 29 -3.782 4.026 8.482 1.00 0.00 O ATOM 440 CB ASN A 29 -3.175 6.752 6.902 1.00 0.00 C ATOM 441 CG ASN A 29 -1.950 7.429 6.300 1.00 0.00 C ATOM 442 OD1 ASN A 29 -0.909 6.796 6.110 1.00 0.00 O ATOM 443 ND2 ASN A 29 -2.055 8.692 5.982 1.00 0.00 N ATOM 0 H ASN A 29 -3.863 5.906 4.604 1.00 0.00 H new ATOM 0 HA ASN A 29 -2.260 4.850 6.690 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -4.076 7.263 6.563 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -3.145 6.845 7.988 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -1.263 9.180 5.565 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -2.929 9.190 6.151 1.00 0.00 H new ATOM 450 N ASP A 30 -5.413 4.273 6.958 1.00 0.00 N ATOM 451 CA ASP A 30 -6.359 3.467 7.724 1.00 0.00 C ATOM 452 C ASP A 30 -5.999 2.016 7.554 1.00 0.00 C ATOM 453 O ASP A 30 -6.098 1.219 8.478 1.00 0.00 O ATOM 454 CB ASP A 30 -7.780 3.675 7.240 1.00 0.00 C ATOM 455 CG ASP A 30 -8.795 2.989 8.143 1.00 0.00 C ATOM 456 OD1 ASP A 30 -9.148 3.575 9.188 1.00 0.00 O ATOM 457 OD2 ASP A 30 -9.264 1.880 7.823 1.00 0.00 O ATOM 0 H ASP A 30 -5.777 4.645 6.081 1.00 0.00 H new ATOM 0 HA ASP A 30 -6.304 3.768 8.770 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -7.996 4.743 7.197 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -7.878 3.289 6.225 1.00 0.00 H new ATOM 462 N LEU A 31 -5.535 1.702 6.363 1.00 0.00 N ATOM 463 CA LEU A 31 -5.133 0.362 5.998 1.00 0.00 C ATOM 464 C LEU A 31 -3.912 -0.010 6.832 1.00 0.00 C ATOM 465 O LEU A 31 -3.838 -1.103 7.385 1.00 0.00 O ATOM 466 CB LEU A 31 -4.827 0.342 4.480 1.00 0.00 C ATOM 467 CG LEU A 31 -4.587 -1.016 3.773 1.00 0.00 C ATOM 468 CD1 LEU A 31 -4.562 -0.803 2.282 1.00 0.00 C ATOM 469 CD2 LEU A 31 -3.274 -1.647 4.185 1.00 0.00 C ATOM 0 H LEU A 31 -5.425 2.382 5.610 1.00 0.00 H new ATOM 0 HA LEU A 31 -5.918 -0.368 6.195 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -5.657 0.834 3.972 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -3.943 0.958 4.316 1.00 0.00 H new ATOM 0 HG LEU A 31 -5.398 -1.684 4.064 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -4.393 -1.756 1.781 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -5.516 -0.387 1.958 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -3.759 -0.112 2.027 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -3.148 -2.597 3.665 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -2.452 -0.979 3.926 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -3.275 -1.820 5.261 1.00 0.00 H new ATOM 481 N LYS A 32 -2.973 0.922 6.921 1.00 0.00 N ATOM 482 CA LYS A 32 -1.773 0.755 7.746 1.00 0.00 C ATOM 483 C LYS A 32 -2.177 0.527 9.171 1.00 0.00 C ATOM 484 O LYS A 32 -1.734 -0.379 9.772 1.00 0.00 O ATOM 485 CB LYS A 32 -0.880 2.001 7.716 1.00 0.00 C ATOM 486 CG LYS A 32 -0.406 2.438 6.352 1.00 0.00 C ATOM 487 CD LYS A 32 0.539 3.642 6.440 1.00 0.00 C ATOM 488 CE LYS A 32 1.784 3.316 7.254 1.00 0.00 C ATOM 489 NZ LYS A 32 2.708 4.452 7.365 1.00 0.00 N ATOM 0 H LYS A 32 -3.016 1.814 6.427 1.00 0.00 H new ATOM 0 HA LYS A 32 -1.219 -0.093 7.343 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -1.426 2.827 8.172 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -0.006 1.814 8.340 1.00 0.00 H new ATOM 0 HG2 LYS A 32 0.105 1.609 5.861 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -1.266 2.694 5.733 1.00 0.00 H new ATOM 0 HD2 LYS A 32 0.830 3.952 5.436 1.00 0.00 H new ATOM 0 HD3 LYS A 32 0.016 4.484 6.894 1.00 0.00 H new ATOM 0 HE2 LYS A 32 1.486 2.998 8.253 1.00 0.00 H new ATOM 0 HE3 LYS A 32 2.303 2.475 6.794 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 3.457 4.225 8.050 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 3.135 4.644 6.436 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 2.187 5.293 7.687 1.00 0.00 H new ATOM 503 N LYS A 33 -3.045 1.379 9.681 1.00 0.00 N ATOM 504 CA LYS A 33 -3.518 1.307 11.027 1.00 0.00 C ATOM 505 C LYS A 33 -4.218 -0.018 11.299 1.00 0.00 C ATOM 506 O LYS A 33 -4.114 -0.580 12.394 1.00 0.00 O ATOM 507 CB LYS A 33 -4.456 2.426 11.207 1.00 0.00 C ATOM 508 CG LYS A 33 -4.793 2.667 12.610 1.00 0.00 C ATOM 509 CD LYS A 33 -5.634 3.863 12.736 1.00 0.00 C ATOM 510 CE LYS A 33 -4.952 5.124 12.189 1.00 0.00 C ATOM 511 NZ LYS A 33 -5.756 6.334 12.447 1.00 0.00 N ATOM 0 H LYS A 33 -3.443 2.153 9.149 1.00 0.00 H new ATOM 0 HA LYS A 33 -2.684 1.371 11.725 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -4.020 3.331 10.783 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -5.370 2.221 10.649 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -5.316 1.802 13.019 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -3.881 2.793 13.193 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -6.571 3.701 12.204 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -5.886 4.017 13.785 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -3.970 5.235 12.648 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -4.792 5.015 11.116 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -5.264 7.166 12.063 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -6.684 6.238 11.988 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -5.887 6.451 13.472 1.00 0.00 H new ATOM 525 N LYS A 34 -4.914 -0.514 10.301 1.00 0.00 N ATOM 526 CA LYS A 34 -5.591 -1.792 10.378 1.00 0.00 C ATOM 527 C LYS A 34 -4.529 -2.885 10.502 1.00 0.00 C ATOM 528 O LYS A 34 -4.660 -3.819 11.287 1.00 0.00 O ATOM 529 CB LYS A 34 -6.387 -2.010 9.096 1.00 0.00 C ATOM 530 CG LYS A 34 -7.441 -3.088 9.184 1.00 0.00 C ATOM 531 CD LYS A 34 -8.577 -2.669 10.103 1.00 0.00 C ATOM 532 CE LYS A 34 -9.263 -1.398 9.596 1.00 0.00 C ATOM 533 NZ LYS A 34 -10.401 -1.012 10.437 1.00 0.00 N ATOM 0 H LYS A 34 -5.028 -0.039 9.405 1.00 0.00 H new ATOM 0 HA LYS A 34 -6.265 -1.818 11.234 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -6.868 -1.072 8.819 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -5.695 -2.262 8.293 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -7.833 -3.300 8.189 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -6.992 -4.010 9.553 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -9.307 -3.475 10.173 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -8.191 -2.500 11.108 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -8.540 -0.583 9.569 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -9.605 -1.555 8.573 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -10.836 -0.147 10.057 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -11.104 -1.779 10.443 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -10.072 -0.837 11.408 1.00 0.00 H new ATOM 547 N LEU A 35 -3.473 -2.729 9.721 1.00 0.00 N ATOM 548 CA LEU A 35 -2.337 -3.608 9.737 1.00 0.00 C ATOM 549 C LEU A 35 -1.589 -3.495 11.046 1.00 0.00 C ATOM 550 O LEU A 35 -1.163 -4.478 11.592 1.00 0.00 O ATOM 551 CB LEU A 35 -1.432 -3.300 8.541 1.00 0.00 C ATOM 552 CG LEU A 35 -1.969 -3.684 7.162 1.00 0.00 C ATOM 553 CD1 LEU A 35 -0.929 -3.405 6.092 1.00 0.00 C ATOM 554 CD2 LEU A 35 -2.399 -5.147 7.131 1.00 0.00 C ATOM 0 H LEU A 35 -3.389 -1.968 9.047 1.00 0.00 H new ATOM 0 HA LEU A 35 -2.680 -4.639 9.652 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -1.221 -2.231 8.539 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -0.482 -3.812 8.692 1.00 0.00 H new ATOM 0 HG LEU A 35 -2.848 -3.073 6.956 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -1.327 -3.684 5.116 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -0.682 -2.343 6.093 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -0.031 -3.987 6.297 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -2.777 -5.394 6.139 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -1.544 -5.782 7.362 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -3.184 -5.311 7.870 1.00 0.00 H new ATOM 566 N GLU A 36 -1.471 -2.296 11.541 1.00 0.00 N ATOM 567 CA GLU A 36 -0.848 -1.998 12.796 1.00 0.00 C ATOM 568 C GLU A 36 -1.557 -2.638 13.955 1.00 0.00 C ATOM 569 O GLU A 36 -0.952 -2.959 14.959 1.00 0.00 O ATOM 570 CB GLU A 36 -0.693 -0.512 12.955 1.00 0.00 C ATOM 571 CG GLU A 36 0.331 0.053 12.001 1.00 0.00 C ATOM 572 CD GLU A 36 1.660 -0.682 12.079 1.00 0.00 C ATOM 573 OE1 GLU A 36 1.784 -1.760 11.471 1.00 0.00 O ATOM 574 OE2 GLU A 36 2.567 -0.193 12.726 1.00 0.00 O ATOM 0 H GLU A 36 -1.821 -1.467 11.061 1.00 0.00 H new ATOM 0 HA GLU A 36 0.149 -2.438 12.794 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -1.654 -0.027 12.785 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -0.398 -0.285 13.980 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -0.054 -0.004 10.983 1.00 0.00 H new ATOM 0 HG3 GLU A 36 0.488 1.108 12.224 1.00 0.00 H new ATOM 581 N LEU A 37 -2.841 -2.813 13.822 1.00 0.00 N ATOM 582 CA LEU A 37 -3.614 -3.539 14.811 1.00 0.00 C ATOM 583 C LEU A 37 -3.127 -5.003 14.860 1.00 0.00 C ATOM 584 O LEU A 37 -3.187 -5.659 15.895 1.00 0.00 O ATOM 585 CB LEU A 37 -5.102 -3.489 14.456 1.00 0.00 C ATOM 586 CG LEU A 37 -6.069 -4.148 15.450 1.00 0.00 C ATOM 587 CD1 LEU A 37 -6.005 -3.459 16.806 1.00 0.00 C ATOM 588 CD2 LEU A 37 -7.488 -4.127 14.906 1.00 0.00 C ATOM 0 H LEU A 37 -3.386 -2.463 13.034 1.00 0.00 H new ATOM 0 HA LEU A 37 -3.477 -3.079 15.789 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -5.390 -2.444 14.343 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -5.236 -3.964 13.484 1.00 0.00 H new ATOM 0 HG LEU A 37 -5.765 -5.186 15.583 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -6.699 -3.943 17.493 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -4.992 -3.530 17.203 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -6.278 -2.410 16.694 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -8.160 -4.598 15.624 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -7.799 -3.095 14.741 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -7.524 -4.672 13.963 1.00 0.00 H new ATOM 600 N VAL A 38 -2.632 -5.476 13.734 1.00 0.00 N ATOM 601 CA VAL A 38 -2.105 -6.825 13.602 1.00 0.00 C ATOM 602 C VAL A 38 -0.602 -6.852 13.943 1.00 0.00 C ATOM 603 O VAL A 38 -0.121 -7.753 14.633 1.00 0.00 O ATOM 604 CB VAL A 38 -2.299 -7.356 12.150 1.00 0.00 C ATOM 605 CG1 VAL A 38 -1.818 -8.795 12.011 1.00 0.00 C ATOM 606 CG2 VAL A 38 -3.747 -7.222 11.710 1.00 0.00 C ATOM 0 H VAL A 38 -2.582 -4.931 12.873 1.00 0.00 H new ATOM 0 HA VAL A 38 -2.652 -7.463 14.296 1.00 0.00 H new ATOM 0 HB VAL A 38 -1.686 -6.740 11.492 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -1.969 -9.132 10.985 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -0.758 -8.850 12.259 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -2.383 -9.435 12.689 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -3.855 -7.600 10.693 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -4.386 -7.797 12.380 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -4.041 -6.173 11.740 1.00 0.00 H new ATOM 616 N VAL A 39 0.120 -5.846 13.483 1.00 0.00 N ATOM 617 CA VAL A 39 1.572 -5.780 13.661 1.00 0.00 C ATOM 618 C VAL A 39 1.942 -5.298 15.066 1.00 0.00 C ATOM 619 O VAL A 39 2.983 -5.666 15.605 1.00 0.00 O ATOM 620 CB VAL A 39 2.231 -4.865 12.570 1.00 0.00 C ATOM 621 CG1 VAL A 39 3.744 -4.806 12.720 1.00 0.00 C ATOM 622 CG2 VAL A 39 1.871 -5.353 11.172 1.00 0.00 C ATOM 0 H VAL A 39 -0.274 -5.053 12.977 1.00 0.00 H new ATOM 0 HA VAL A 39 1.963 -6.790 13.541 1.00 0.00 H new ATOM 0 HB VAL A 39 1.837 -3.859 12.714 1.00 0.00 H new ATOM 0 HG11 VAL A 39 4.162 -4.162 11.946 1.00 0.00 H new ATOM 0 HG12 VAL A 39 3.997 -4.404 13.701 1.00 0.00 H new ATOM 0 HG13 VAL A 39 4.159 -5.809 12.621 1.00 0.00 H new ATOM 0 HG21 VAL A 39 2.337 -4.706 10.429 1.00 0.00 H new ATOM 0 HG22 VAL A 39 2.229 -6.374 11.040 1.00 0.00 H new ATOM 0 HG23 VAL A 39 0.789 -5.329 11.046 1.00 0.00 H new ATOM 632 N GLY A 40 1.077 -4.514 15.664 1.00 0.00 N ATOM 633 CA GLY A 40 1.309 -4.053 17.016 1.00 0.00 C ATOM 634 C GLY A 40 2.110 -2.774 17.075 1.00 0.00 C ATOM 635 O GLY A 40 2.253 -2.175 18.140 1.00 0.00 O ATOM 0 H GLY A 40 0.210 -4.182 15.241 1.00 0.00 H new ATOM 0 HA2 GLY A 40 0.350 -3.898 17.510 1.00 0.00 H new ATOM 0 HA3 GLY A 40 1.833 -4.829 17.574 1.00 0.00 H new ATOM 639 N THR A 41 2.613 -2.348 15.949 1.00 0.00 N ATOM 640 CA THR A 41 3.448 -1.158 15.879 1.00 0.00 C ATOM 641 C THR A 41 2.541 0.083 15.617 1.00 0.00 C ATOM 642 O THR A 41 1.314 -0.053 15.560 1.00 0.00 O ATOM 643 CB THR A 41 4.486 -1.365 14.734 1.00 0.00 C ATOM 644 OG1 THR A 41 5.100 -2.654 14.904 1.00 0.00 O ATOM 645 CG2 THR A 41 5.601 -0.327 14.766 1.00 0.00 C ATOM 0 H THR A 41 2.462 -2.807 15.051 1.00 0.00 H new ATOM 0 HA THR A 41 3.984 -0.989 16.813 1.00 0.00 H new ATOM 0 HB THR A 41 3.952 -1.276 13.788 1.00 0.00 H new ATOM 0 HG1 THR A 41 5.755 -2.801 14.190 1.00 0.00 H new ATOM 0 HG21 THR A 41 6.297 -0.515 13.949 1.00 0.00 H new ATOM 0 HG22 THR A 41 5.174 0.670 14.656 1.00 0.00 H new ATOM 0 HG23 THR A 41 6.131 -0.392 15.716 1.00 0.00 H new ATOM 653 N THR A 42 3.118 1.264 15.519 1.00 0.00 N ATOM 654 CA THR A 42 2.359 2.440 15.208 1.00 0.00 C ATOM 655 C THR A 42 2.534 2.826 13.737 1.00 0.00 C ATOM 656 O THR A 42 3.579 2.554 13.133 1.00 0.00 O ATOM 657 CB THR A 42 2.728 3.619 16.120 1.00 0.00 C ATOM 658 OG1 THR A 42 4.142 3.874 16.067 1.00 0.00 O ATOM 659 CG2 THR A 42 2.300 3.349 17.551 1.00 0.00 C ATOM 0 H THR A 42 4.116 1.426 15.653 1.00 0.00 H new ATOM 0 HA THR A 42 1.310 2.203 15.386 1.00 0.00 H new ATOM 0 HB THR A 42 2.198 4.502 15.762 1.00 0.00 H new ATOM 0 HG1 THR A 42 4.360 4.629 16.652 1.00 0.00 H new ATOM 0 HG21 THR A 42 2.572 4.198 18.178 1.00 0.00 H new ATOM 0 HG22 THR A 42 1.220 3.203 17.586 1.00 0.00 H new ATOM 0 HG23 THR A 42 2.800 2.452 17.917 1.00 0.00 H new ATOM 667 N VAL A 43 1.540 3.530 13.201 1.00 0.00 N ATOM 668 CA VAL A 43 1.455 3.869 11.771 1.00 0.00 C ATOM 669 C VAL A 43 2.678 4.675 11.290 1.00 0.00 C ATOM 670 O VAL A 43 3.113 4.541 10.135 1.00 0.00 O ATOM 671 CB VAL A 43 0.147 4.679 11.488 1.00 0.00 C ATOM 672 CG1 VAL A 43 -0.020 4.993 10.008 1.00 0.00 C ATOM 673 CG2 VAL A 43 -1.068 3.932 12.012 1.00 0.00 C ATOM 0 H VAL A 43 0.758 3.888 13.749 1.00 0.00 H new ATOM 0 HA VAL A 43 1.438 2.931 11.217 1.00 0.00 H new ATOM 0 HB VAL A 43 0.234 5.629 12.016 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -0.941 5.556 9.857 1.00 0.00 H new ATOM 0 HG12 VAL A 43 0.828 5.585 9.664 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -0.067 4.063 9.442 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -1.968 4.511 11.806 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -1.140 2.962 11.519 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -0.969 3.786 13.088 1.00 0.00 H new ATOM 683 N ASP A 44 3.230 5.472 12.166 1.00 0.00 N ATOM 684 CA ASP A 44 4.396 6.281 11.852 1.00 0.00 C ATOM 685 C ASP A 44 5.635 5.424 11.640 1.00 0.00 C ATOM 686 O ASP A 44 6.445 5.695 10.758 1.00 0.00 O ATOM 687 CB ASP A 44 4.651 7.313 12.942 1.00 0.00 C ATOM 688 CG ASP A 44 5.877 8.153 12.668 1.00 0.00 C ATOM 689 OD1 ASP A 44 5.794 9.099 11.852 1.00 0.00 O ATOM 690 OD2 ASP A 44 6.941 7.893 13.271 1.00 0.00 O ATOM 0 H ASP A 44 2.889 5.585 13.121 1.00 0.00 H new ATOM 0 HA ASP A 44 4.184 6.802 10.918 1.00 0.00 H new ATOM 0 HB2 ASP A 44 3.781 7.964 13.032 1.00 0.00 H new ATOM 0 HB3 ASP A 44 4.769 6.805 13.899 1.00 0.00 H new ATOM 695 N SER A 45 5.760 4.379 12.424 1.00 0.00 N ATOM 696 CA SER A 45 6.874 3.490 12.367 1.00 0.00 C ATOM 697 C SER A 45 6.661 2.391 11.315 1.00 0.00 C ATOM 698 O SER A 45 7.545 1.559 11.063 1.00 0.00 O ATOM 699 CB SER A 45 7.032 2.881 13.734 1.00 0.00 C ATOM 700 OG SER A 45 7.281 3.880 14.713 1.00 0.00 O ATOM 0 H SER A 45 5.070 4.126 13.131 1.00 0.00 H new ATOM 0 HA SER A 45 7.771 4.037 12.077 1.00 0.00 H new ATOM 0 HB2 SER A 45 6.130 2.328 13.996 1.00 0.00 H new ATOM 0 HB3 SER A 45 7.853 2.165 13.724 1.00 0.00 H new ATOM 0 HG SER A 45 7.378 3.459 15.593 1.00 0.00 H new ATOM 706 N MET A 46 5.512 2.414 10.717 1.00 0.00 N ATOM 707 CA MET A 46 5.121 1.452 9.713 1.00 0.00 C ATOM 708 C MET A 46 5.395 2.065 8.341 1.00 0.00 C ATOM 709 O MET A 46 4.988 3.196 8.066 1.00 0.00 O ATOM 710 CB MET A 46 3.634 1.155 9.919 1.00 0.00 C ATOM 711 CG MET A 46 3.020 0.008 9.122 1.00 0.00 C ATOM 712 SD MET A 46 2.908 0.270 7.357 1.00 0.00 S ATOM 713 CE MET A 46 1.894 -1.138 6.942 1.00 0.00 C ATOM 0 H MET A 46 4.797 3.115 10.912 1.00 0.00 H new ATOM 0 HA MET A 46 5.679 0.518 9.786 1.00 0.00 H new ATOM 0 HB2 MET A 46 3.477 0.949 10.978 1.00 0.00 H new ATOM 0 HB3 MET A 46 3.076 2.062 9.685 1.00 0.00 H new ATOM 0 HG2 MET A 46 3.608 -0.892 9.301 1.00 0.00 H new ATOM 0 HG3 MET A 46 2.019 -0.184 9.507 1.00 0.00 H new ATOM 0 HE1 MET A 46 2.248 -1.580 6.011 1.00 0.00 H new ATOM 0 HE2 MET A 46 1.954 -1.878 7.740 1.00 0.00 H new ATOM 0 HE3 MET A 46 0.859 -0.818 6.821 1.00 0.00 H new ATOM 723 N ARG A 47 6.093 1.348 7.512 1.00 0.00 N ATOM 724 CA ARG A 47 6.511 1.831 6.210 1.00 0.00 C ATOM 725 C ARG A 47 6.042 0.840 5.124 1.00 0.00 C ATOM 726 O ARG A 47 6.042 -0.373 5.352 1.00 0.00 O ATOM 727 CB ARG A 47 8.033 1.990 6.259 1.00 0.00 C ATOM 728 CG ARG A 47 8.706 2.576 5.044 1.00 0.00 C ATOM 729 CD ARG A 47 10.184 2.762 5.348 1.00 0.00 C ATOM 730 NE ARG A 47 10.927 3.360 4.249 1.00 0.00 N ATOM 731 CZ ARG A 47 12.219 3.705 4.300 1.00 0.00 C ATOM 732 NH1 ARG A 47 12.927 3.525 5.409 1.00 0.00 N ATOM 733 NH2 ARG A 47 12.796 4.219 3.230 1.00 0.00 N ATOM 0 H ARG A 47 6.398 0.396 7.715 1.00 0.00 H new ATOM 0 HA ARG A 47 6.067 2.794 5.960 1.00 0.00 H new ATOM 0 HB2 ARG A 47 8.279 2.617 7.116 1.00 0.00 H new ATOM 0 HB3 ARG A 47 8.469 1.009 6.446 1.00 0.00 H new ATOM 0 HG2 ARG A 47 8.577 1.917 4.186 1.00 0.00 H new ATOM 0 HG3 ARG A 47 8.251 3.531 4.784 1.00 0.00 H new ATOM 0 HD2 ARG A 47 10.290 3.390 6.233 1.00 0.00 H new ATOM 0 HD3 ARG A 47 10.623 1.794 5.590 1.00 0.00 H new ATOM 0 HE ARG A 47 10.427 3.528 3.376 1.00 0.00 H new ATOM 0 HH11 ARG A 47 12.487 3.120 6.235 1.00 0.00 H new ATOM 0 HH12 ARG A 47 13.911 3.792 5.435 1.00 0.00 H new ATOM 0 HH21 ARG A 47 12.258 4.350 2.374 1.00 0.00 H new ATOM 0 HH22 ARG A 47 13.780 4.485 3.259 1.00 0.00 H new ATOM 747 N ILE A 48 5.615 1.352 3.965 1.00 0.00 N ATOM 748 CA ILE A 48 5.023 0.498 2.922 1.00 0.00 C ATOM 749 C ILE A 48 5.753 0.538 1.575 1.00 0.00 C ATOM 750 O ILE A 48 6.099 1.608 1.061 1.00 0.00 O ATOM 751 CB ILE A 48 3.511 0.834 2.689 1.00 0.00 C ATOM 752 CG1 ILE A 48 2.681 0.443 3.901 1.00 0.00 C ATOM 753 CG2 ILE A 48 2.963 0.181 1.420 1.00 0.00 C ATOM 754 CD1 ILE A 48 1.199 0.684 3.736 1.00 0.00 C ATOM 0 H ILE A 48 5.666 2.342 3.724 1.00 0.00 H new ATOM 0 HA ILE A 48 5.130 -0.513 3.315 1.00 0.00 H new ATOM 0 HB ILE A 48 3.438 1.913 2.550 1.00 0.00 H new ATOM 0 HG12 ILE A 48 2.845 -0.613 4.115 1.00 0.00 H new ATOM 0 HG13 ILE A 48 3.035 1.003 4.767 1.00 0.00 H new ATOM 0 HG21 ILE A 48 1.912 0.443 1.301 1.00 0.00 H new ATOM 0 HG22 ILE A 48 3.525 0.536 0.556 1.00 0.00 H new ATOM 0 HG23 ILE A 48 3.061 -0.902 1.497 1.00 0.00 H new ATOM 0 HD11 ILE A 48 0.678 0.379 4.643 1.00 0.00 H new ATOM 0 HD12 ILE A 48 1.021 1.744 3.553 1.00 0.00 H new ATOM 0 HD13 ILE A 48 0.828 0.103 2.892 1.00 0.00 H new ATOM 766 N GLN A 49 5.957 -0.646 1.023 1.00 0.00 N ATOM 767 CA GLN A 49 6.465 -0.833 -0.316 1.00 0.00 C ATOM 768 C GLN A 49 5.433 -1.595 -1.117 1.00 0.00 C ATOM 769 O GLN A 49 4.811 -2.504 -0.596 1.00 0.00 O ATOM 770 CB GLN A 49 7.774 -1.599 -0.308 1.00 0.00 C ATOM 771 CG GLN A 49 8.931 -0.833 0.272 1.00 0.00 C ATOM 772 CD GLN A 49 10.205 -1.644 0.283 1.00 0.00 C ATOM 773 OE1 GLN A 49 10.413 -2.513 -0.561 1.00 0.00 O ATOM 774 NE2 GLN A 49 11.066 -1.373 1.220 1.00 0.00 N ATOM 0 H GLN A 49 5.768 -1.522 1.510 1.00 0.00 H new ATOM 0 HA GLN A 49 6.655 0.143 -0.763 1.00 0.00 H new ATOM 0 HB2 GLN A 49 7.640 -2.519 0.260 1.00 0.00 H new ATOM 0 HB3 GLN A 49 8.019 -1.888 -1.330 1.00 0.00 H new ATOM 0 HG2 GLN A 49 9.087 0.078 -0.306 1.00 0.00 H new ATOM 0 HG3 GLN A 49 8.688 -0.527 1.290 1.00 0.00 H new ATOM 0 HE21 GLN A 49 10.862 -0.645 1.905 1.00 0.00 H new ATOM 0 HE22 GLN A 49 11.945 -1.888 1.269 1.00 0.00 H new ATOM 783 N LEU A 50 5.226 -1.232 -2.344 1.00 0.00 N ATOM 784 CA LEU A 50 4.232 -1.945 -3.165 1.00 0.00 C ATOM 785 C LEU A 50 4.919 -2.698 -4.306 1.00 0.00 C ATOM 786 O LEU A 50 5.695 -2.119 -5.083 1.00 0.00 O ATOM 787 CB LEU A 50 3.134 -0.961 -3.686 1.00 0.00 C ATOM 788 CG LEU A 50 1.842 -1.541 -4.370 1.00 0.00 C ATOM 789 CD1 LEU A 50 0.848 -0.425 -4.595 1.00 0.00 C ATOM 790 CD2 LEU A 50 2.132 -2.185 -5.709 1.00 0.00 C ATOM 0 H LEU A 50 5.708 -0.466 -2.814 1.00 0.00 H new ATOM 0 HA LEU A 50 3.729 -2.686 -2.543 1.00 0.00 H new ATOM 0 HB2 LEU A 50 2.812 -0.352 -2.841 1.00 0.00 H new ATOM 0 HB3 LEU A 50 3.609 -0.289 -4.400 1.00 0.00 H new ATOM 0 HG LEU A 50 1.444 -2.304 -3.700 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -0.048 -0.826 -5.069 1.00 0.00 H new ATOM 0 HD12 LEU A 50 0.582 0.024 -3.638 1.00 0.00 H new ATOM 0 HD13 LEU A 50 1.292 0.333 -5.240 1.00 0.00 H new ATOM 0 HD21 LEU A 50 1.206 -2.568 -6.137 1.00 0.00 H new ATOM 0 HD22 LEU A 50 2.564 -1.445 -6.383 1.00 0.00 H new ATOM 0 HD23 LEU A 50 2.836 -3.006 -5.573 1.00 0.00 H new ATOM 802 N PHE A 51 4.637 -3.979 -4.396 1.00 0.00 N ATOM 803 CA PHE A 51 5.168 -4.830 -5.447 1.00 0.00 C ATOM 804 C PHE A 51 3.998 -5.368 -6.252 1.00 0.00 C ATOM 805 O PHE A 51 2.957 -5.721 -5.677 1.00 0.00 O ATOM 806 CB PHE A 51 5.949 -6.029 -4.860 1.00 0.00 C ATOM 807 CG PHE A 51 7.151 -5.697 -4.016 1.00 0.00 C ATOM 808 CD1 PHE A 51 7.008 -5.312 -2.692 1.00 0.00 C ATOM 809 CD2 PHE A 51 8.426 -5.788 -4.544 1.00 0.00 C ATOM 810 CE1 PHE A 51 8.111 -5.020 -1.919 1.00 0.00 C ATOM 811 CE2 PHE A 51 9.534 -5.500 -3.773 1.00 0.00 C ATOM 812 CZ PHE A 51 9.375 -5.116 -2.458 1.00 0.00 C ATOM 0 H PHE A 51 4.028 -4.467 -3.739 1.00 0.00 H new ATOM 0 HA PHE A 51 5.848 -4.244 -6.065 1.00 0.00 H new ATOM 0 HB2 PHE A 51 5.262 -6.622 -4.257 1.00 0.00 H new ATOM 0 HB3 PHE A 51 6.276 -6.661 -5.686 1.00 0.00 H new ATOM 0 HD1 PHE A 51 6.020 -5.240 -2.261 1.00 0.00 H new ATOM 0 HD2 PHE A 51 8.556 -6.088 -5.573 1.00 0.00 H new ATOM 0 HE1 PHE A 51 7.984 -4.716 -0.890 1.00 0.00 H new ATOM 0 HE2 PHE A 51 10.524 -5.575 -4.199 1.00 0.00 H new ATOM 0 HZ PHE A 51 10.240 -4.891 -1.852 1.00 0.00 H new ATOM 822 N ASP A 52 4.128 -5.407 -7.554 1.00 0.00 N ATOM 823 CA ASP A 52 3.081 -5.968 -8.371 1.00 0.00 C ATOM 824 C ASP A 52 3.343 -7.437 -8.611 1.00 0.00 C ATOM 825 O ASP A 52 4.209 -8.035 -7.958 1.00 0.00 O ATOM 826 CB ASP A 52 2.980 -5.254 -9.709 1.00 0.00 C ATOM 827 CG ASP A 52 4.150 -5.473 -10.619 1.00 0.00 C ATOM 828 OD1 ASP A 52 5.177 -4.818 -10.432 1.00 0.00 O ATOM 829 OD2 ASP A 52 4.038 -6.306 -11.543 1.00 0.00 O ATOM 0 H ASP A 52 4.939 -5.061 -8.067 1.00 0.00 H new ATOM 0 HA ASP A 52 2.139 -5.840 -7.837 1.00 0.00 H new ATOM 0 HB2 ASP A 52 2.074 -5.586 -10.216 1.00 0.00 H new ATOM 0 HB3 ASP A 52 2.871 -4.185 -9.529 1.00 0.00 H new ATOM 834 N GLY A 53 2.589 -8.003 -9.535 1.00 0.00 N ATOM 835 CA GLY A 53 2.720 -9.409 -9.889 1.00 0.00 C ATOM 836 C GLY A 53 4.125 -9.773 -10.350 1.00 0.00 C ATOM 837 O GLY A 53 4.726 -10.722 -9.827 1.00 0.00 O ATOM 0 H GLY A 53 1.870 -7.506 -10.061 1.00 0.00 H new ATOM 0 HA2 GLY A 53 2.455 -10.022 -9.028 1.00 0.00 H new ATOM 0 HA3 GLY A 53 2.010 -9.647 -10.681 1.00 0.00 H new ATOM 841 N ASP A 54 4.649 -9.009 -11.306 1.00 0.00 N ATOM 842 CA ASP A 54 5.992 -9.214 -11.841 1.00 0.00 C ATOM 843 C ASP A 54 6.467 -8.025 -12.648 1.00 0.00 C ATOM 844 O ASP A 54 6.235 -7.933 -13.859 1.00 0.00 O ATOM 845 CB ASP A 54 6.149 -10.512 -12.653 1.00 0.00 C ATOM 846 CG ASP A 54 7.558 -10.651 -13.247 1.00 0.00 C ATOM 847 OD1 ASP A 54 8.547 -10.668 -12.485 1.00 0.00 O ATOM 848 OD2 ASP A 54 7.698 -10.688 -14.496 1.00 0.00 O ATOM 0 H ASP A 54 4.152 -8.227 -11.733 1.00 0.00 H new ATOM 0 HA ASP A 54 6.629 -9.319 -10.963 1.00 0.00 H new ATOM 0 HB2 ASP A 54 5.940 -11.368 -12.012 1.00 0.00 H new ATOM 0 HB3 ASP A 54 5.413 -10.528 -13.457 1.00 0.00 H new ATOM 853 N ASP A 55 7.042 -7.081 -11.952 1.00 0.00 N ATOM 854 CA ASP A 55 7.705 -5.919 -12.535 1.00 0.00 C ATOM 855 C ASP A 55 8.477 -5.259 -11.417 1.00 0.00 C ATOM 856 O ASP A 55 8.936 -4.116 -11.496 1.00 0.00 O ATOM 857 CB ASP A 55 6.691 -4.986 -13.146 1.00 0.00 C ATOM 858 CG ASP A 55 7.282 -3.874 -14.001 1.00 0.00 C ATOM 859 OD1 ASP A 55 7.502 -4.101 -15.210 1.00 0.00 O ATOM 860 OD2 ASP A 55 7.493 -2.748 -13.489 1.00 0.00 O ATOM 0 H ASP A 55 7.069 -7.089 -10.932 1.00 0.00 H new ATOM 0 HA ASP A 55 8.381 -6.204 -13.341 1.00 0.00 H new ATOM 0 HB2 ASP A 55 6.003 -5.570 -13.758 1.00 0.00 H new ATOM 0 HB3 ASP A 55 6.103 -4.537 -12.346 1.00 0.00 H new ATOM 865 N GLN A 56 8.658 -6.066 -10.390 1.00 0.00 N ATOM 866 CA GLN A 56 9.337 -5.751 -9.178 1.00 0.00 C ATOM 867 C GLN A 56 8.694 -4.587 -8.423 1.00 0.00 C ATOM 868 O GLN A 56 7.540 -4.234 -8.665 1.00 0.00 O ATOM 869 CB GLN A 56 10.802 -5.525 -9.455 1.00 0.00 C ATOM 870 CG GLN A 56 11.471 -6.682 -10.193 1.00 0.00 C ATOM 871 CD GLN A 56 11.328 -8.011 -9.473 1.00 0.00 C ATOM 872 OE1 GLN A 56 11.254 -8.069 -8.242 1.00 0.00 O ATOM 873 NE2 GLN A 56 11.273 -9.081 -10.226 1.00 0.00 N ATOM 0 H GLN A 56 8.304 -7.023 -10.395 1.00 0.00 H new ATOM 0 HA GLN A 56 9.245 -6.606 -8.508 1.00 0.00 H new ATOM 0 HB2 GLN A 56 10.915 -4.615 -10.045 1.00 0.00 H new ATOM 0 HB3 GLN A 56 11.320 -5.360 -8.511 1.00 0.00 H new ATOM 0 HG2 GLN A 56 11.039 -6.767 -11.190 1.00 0.00 H new ATOM 0 HG3 GLN A 56 12.530 -6.458 -10.323 1.00 0.00 H new ATOM 0 HE21 GLN A 56 11.337 -8.995 -11.240 1.00 0.00 H new ATOM 0 HE22 GLN A 56 11.166 -10.001 -9.798 1.00 0.00 H new ATOM 882 N LEU A 57 9.425 -4.049 -7.475 1.00 0.00 N ATOM 883 CA LEU A 57 8.955 -2.951 -6.644 1.00 0.00 C ATOM 884 C LEU A 57 8.556 -1.748 -7.492 1.00 0.00 C ATOM 885 O LEU A 57 9.287 -1.342 -8.405 1.00 0.00 O ATOM 886 CB LEU A 57 10.052 -2.555 -5.641 1.00 0.00 C ATOM 887 CG LEU A 57 9.745 -1.405 -4.675 1.00 0.00 C ATOM 888 CD1 LEU A 57 8.560 -1.736 -3.806 1.00 0.00 C ATOM 889 CD2 LEU A 57 10.955 -1.102 -3.812 1.00 0.00 C ATOM 0 H LEU A 57 10.371 -4.359 -7.252 1.00 0.00 H new ATOM 0 HA LEU A 57 8.070 -3.284 -6.101 1.00 0.00 H new ATOM 0 HB2 LEU A 57 10.300 -3.435 -5.048 1.00 0.00 H new ATOM 0 HB3 LEU A 57 10.945 -2.290 -6.207 1.00 0.00 H new ATOM 0 HG LEU A 57 9.503 -0.522 -5.266 1.00 0.00 H new ATOM 0 HD11 LEU A 57 8.362 -0.905 -3.129 1.00 0.00 H new ATOM 0 HD12 LEU A 57 7.686 -1.909 -4.434 1.00 0.00 H new ATOM 0 HD13 LEU A 57 8.774 -2.634 -3.226 1.00 0.00 H new ATOM 0 HD21 LEU A 57 10.721 -0.283 -3.132 1.00 0.00 H new ATOM 0 HD22 LEU A 57 11.222 -1.988 -3.236 1.00 0.00 H new ATOM 0 HD23 LEU A 57 11.793 -0.817 -4.448 1.00 0.00 H new ATOM 901 N LYS A 58 7.394 -1.202 -7.199 1.00 0.00 N ATOM 902 CA LYS A 58 6.917 -0.023 -7.895 1.00 0.00 C ATOM 903 C LYS A 58 7.539 1.183 -7.249 1.00 0.00 C ATOM 904 O LYS A 58 8.024 2.099 -7.918 1.00 0.00 O ATOM 905 CB LYS A 58 5.398 0.095 -7.750 1.00 0.00 C ATOM 906 CG LYS A 58 4.549 -1.121 -8.161 1.00 0.00 C ATOM 907 CD LYS A 58 4.518 -1.458 -9.658 1.00 0.00 C ATOM 908 CE LYS A 58 5.860 -1.839 -10.240 1.00 0.00 C ATOM 909 NZ LYS A 58 5.702 -2.409 -11.557 1.00 0.00 N ATOM 0 H LYS A 58 6.761 -1.556 -6.482 1.00 0.00 H new ATOM 0 HA LYS A 58 7.179 -0.093 -8.951 1.00 0.00 H new ATOM 0 HB2 LYS A 58 5.176 0.323 -6.707 1.00 0.00 H new ATOM 0 HB3 LYS A 58 5.069 0.950 -8.340 1.00 0.00 H new ATOM 0 HG2 LYS A 58 4.919 -1.993 -7.622 1.00 0.00 H new ATOM 0 HG3 LYS A 58 3.525 -0.951 -7.828 1.00 0.00 H new ATOM 0 HD2 LYS A 58 3.820 -2.279 -9.819 1.00 0.00 H new ATOM 0 HD3 LYS A 58 4.130 -0.598 -10.204 1.00 0.00 H new ATOM 0 HE2 LYS A 58 6.502 -0.959 -10.294 1.00 0.00 H new ATOM 0 HE3 LYS A 58 6.356 -2.556 -9.585 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 6.638 -2.570 -11.980 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 5.194 -3.314 -11.485 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 5.159 -1.754 -12.156 1.00 0.00 H new ATOM 923 N GLY A 59 7.539 1.166 -5.957 1.00 0.00 N ATOM 924 CA GLY A 59 8.117 2.219 -5.210 1.00 0.00 C ATOM 925 C GLY A 59 7.668 2.181 -3.790 1.00 0.00 C ATOM 926 O GLY A 59 7.065 1.188 -3.339 1.00 0.00 O ATOM 0 H GLY A 59 7.136 0.417 -5.394 1.00 0.00 H new ATOM 0 HA2 GLY A 59 9.204 2.145 -5.253 1.00 0.00 H new ATOM 0 HA3 GLY A 59 7.845 3.176 -5.655 1.00 0.00 H new ATOM 930 N GLU A 60 7.941 3.233 -3.094 1.00 0.00 N ATOM 931 CA GLU A 60 7.622 3.353 -1.714 1.00 0.00 C ATOM 932 C GLU A 60 6.577 4.440 -1.547 1.00 0.00 C ATOM 933 O GLU A 60 6.832 5.611 -1.852 1.00 0.00 O ATOM 934 CB GLU A 60 8.888 3.712 -0.964 1.00 0.00 C ATOM 935 CG GLU A 60 8.737 3.862 0.522 1.00 0.00 C ATOM 936 CD GLU A 60 10.028 4.266 1.142 1.00 0.00 C ATOM 937 OE1 GLU A 60 10.841 3.386 1.452 1.00 0.00 O ATOM 938 OE2 GLU A 60 10.262 5.475 1.305 1.00 0.00 O ATOM 0 H GLU A 60 8.405 4.055 -3.481 1.00 0.00 H new ATOM 0 HA GLU A 60 7.222 2.418 -1.321 1.00 0.00 H new ATOM 0 HB2 GLU A 60 9.636 2.944 -1.160 1.00 0.00 H new ATOM 0 HB3 GLU A 60 9.277 4.646 -1.369 1.00 0.00 H new ATOM 0 HG2 GLU A 60 7.973 4.608 0.742 1.00 0.00 H new ATOM 0 HG3 GLU A 60 8.398 2.921 0.955 1.00 0.00 H new ATOM 945 N LEU A 61 5.414 4.064 -1.088 1.00 0.00 N ATOM 946 CA LEU A 61 4.340 5.016 -0.934 1.00 0.00 C ATOM 947 C LEU A 61 4.238 5.612 0.452 1.00 0.00 C ATOM 948 O LEU A 61 4.953 6.536 0.761 1.00 0.00 O ATOM 949 CB LEU A 61 2.969 4.590 -1.576 1.00 0.00 C ATOM 950 CG LEU A 61 2.333 3.231 -1.188 1.00 0.00 C ATOM 951 CD1 LEU A 61 0.940 3.133 -1.781 1.00 0.00 C ATOM 952 CD2 LEU A 61 3.156 2.058 -1.693 1.00 0.00 C ATOM 0 H LEU A 61 5.183 3.109 -0.814 1.00 0.00 H new ATOM 0 HA LEU A 61 4.645 5.854 -1.561 1.00 0.00 H new ATOM 0 HB2 LEU A 61 2.243 5.369 -1.342 1.00 0.00 H new ATOM 0 HB3 LEU A 61 3.101 4.592 -2.658 1.00 0.00 H new ATOM 0 HG LEU A 61 2.295 3.186 -0.100 1.00 0.00 H new ATOM 0 HD11 LEU A 61 0.494 2.177 -1.507 1.00 0.00 H new ATOM 0 HD12 LEU A 61 0.323 3.945 -1.396 1.00 0.00 H new ATOM 0 HD13 LEU A 61 1.001 3.207 -2.867 1.00 0.00 H new ATOM 0 HD21 LEU A 61 2.676 1.124 -1.400 1.00 0.00 H new ATOM 0 HD22 LEU A 61 3.227 2.104 -2.780 1.00 0.00 H new ATOM 0 HD23 LEU A 61 4.156 2.103 -1.262 1.00 0.00 H new ATOM 964 N THR A 62 3.316 5.109 1.211 1.00 0.00 N ATOM 965 CA THR A 62 3.051 5.424 2.650 1.00 0.00 C ATOM 966 C THR A 62 2.268 6.736 2.852 1.00 0.00 C ATOM 967 O THR A 62 2.032 7.158 3.981 1.00 0.00 O ATOM 968 CB THR A 62 4.280 5.267 3.667 1.00 0.00 C ATOM 969 OG1 THR A 62 3.781 5.268 5.012 1.00 0.00 O ATOM 970 CG2 THR A 62 5.295 6.396 3.585 1.00 0.00 C ATOM 0 H THR A 62 2.662 4.414 0.851 1.00 0.00 H new ATOM 0 HA THR A 62 2.394 4.606 2.945 1.00 0.00 H new ATOM 0 HB THR A 62 4.775 4.336 3.391 1.00 0.00 H new ATOM 0 HG1 THR A 62 3.128 5.991 5.118 1.00 0.00 H new ATOM 0 HG21 THR A 62 6.096 6.218 4.303 1.00 0.00 H new ATOM 0 HG22 THR A 62 5.712 6.438 2.579 1.00 0.00 H new ATOM 0 HG23 THR A 62 4.806 7.343 3.814 1.00 0.00 H new ATOM 978 N ASP A 63 1.846 7.345 1.744 1.00 0.00 N ATOM 979 CA ASP A 63 1.077 8.612 1.754 1.00 0.00 C ATOM 980 C ASP A 63 -0.173 8.508 2.631 1.00 0.00 C ATOM 981 O ASP A 63 -0.219 9.020 3.743 1.00 0.00 O ATOM 982 CB ASP A 63 0.625 8.993 0.329 1.00 0.00 C ATOM 983 CG ASP A 63 1.756 9.178 -0.654 1.00 0.00 C ATOM 984 OD1 ASP A 63 2.261 8.166 -1.189 1.00 0.00 O ATOM 985 OD2 ASP A 63 2.130 10.336 -0.937 1.00 0.00 O ATOM 0 H ASP A 63 2.023 6.982 0.807 1.00 0.00 H new ATOM 0 HA ASP A 63 1.744 9.374 2.157 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -0.044 8.219 -0.046 1.00 0.00 H new ATOM 0 HB3 ASP A 63 0.048 9.916 0.378 1.00 0.00 H new ATOM 990 N GLY A 64 -1.191 7.840 2.099 1.00 0.00 N ATOM 991 CA GLY A 64 -2.456 7.645 2.802 1.00 0.00 C ATOM 992 C GLY A 64 -3.296 8.896 2.944 1.00 0.00 C ATOM 993 O GLY A 64 -4.391 8.836 3.476 1.00 0.00 O ATOM 0 H GLY A 64 -1.164 7.419 1.170 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -3.038 6.890 2.273 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -2.247 7.248 3.796 1.00 0.00 H new ATOM 997 N ALA A 65 -2.796 10.021 2.452 1.00 0.00 N ATOM 998 CA ALA A 65 -3.553 11.278 2.471 1.00 0.00 C ATOM 999 C ALA A 65 -4.561 11.286 1.327 1.00 0.00 C ATOM 1000 O ALA A 65 -5.280 12.260 1.098 1.00 0.00 O ATOM 1001 CB ALA A 65 -2.608 12.463 2.364 1.00 0.00 C ATOM 0 H ALA A 65 -1.869 10.095 2.033 1.00 0.00 H new ATOM 0 HA ALA A 65 -4.093 11.359 3.415 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -3.183 13.389 2.379 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -1.914 12.452 3.205 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -2.048 12.399 1.431 1.00 0.00 H new ATOM 1007 N LYS A 66 -4.604 10.188 0.635 1.00 0.00 N ATOM 1008 CA LYS A 66 -5.475 9.958 -0.474 1.00 0.00 C ATOM 1009 C LYS A 66 -5.896 8.494 -0.457 1.00 0.00 C ATOM 1010 O LYS A 66 -5.443 7.724 0.422 1.00 0.00 O ATOM 1011 CB LYS A 66 -4.745 10.302 -1.766 1.00 0.00 C ATOM 1012 CG LYS A 66 -3.393 9.613 -1.886 1.00 0.00 C ATOM 1013 CD LYS A 66 -2.732 9.881 -3.214 1.00 0.00 C ATOM 1014 CE LYS A 66 -2.468 11.351 -3.455 1.00 0.00 C ATOM 1015 NZ LYS A 66 -1.912 11.558 -4.797 1.00 0.00 N ATOM 0 H LYS A 66 -4.002 9.390 0.840 1.00 0.00 H new ATOM 0 HA LYS A 66 -6.363 10.586 -0.408 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -5.367 10.019 -2.615 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -4.603 11.381 -1.820 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -2.741 9.954 -1.082 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -3.522 8.538 -1.757 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -1.790 9.335 -3.262 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -3.365 9.495 -4.013 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -3.394 11.916 -3.347 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -1.774 11.730 -2.705 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -1.910 12.574 -5.019 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -0.938 11.195 -4.829 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -2.493 11.052 -5.495 1.00 0.00 H new ATOM 1029 N SER A 67 -6.710 8.099 -1.404 1.00 0.00 N ATOM 1030 CA SER A 67 -7.228 6.787 -1.453 1.00 0.00 C ATOM 1031 C SER A 67 -6.267 5.826 -2.088 1.00 0.00 C ATOM 1032 O SER A 67 -5.264 6.222 -2.702 1.00 0.00 O ATOM 1033 CB SER A 67 -8.521 6.797 -2.231 1.00 0.00 C ATOM 1034 OG SER A 67 -8.336 7.399 -3.512 1.00 0.00 O ATOM 0 H SER A 67 -7.026 8.700 -2.165 1.00 0.00 H new ATOM 0 HA SER A 67 -7.399 6.452 -0.430 1.00 0.00 H new ATOM 0 HB2 SER A 67 -8.886 5.777 -2.353 1.00 0.00 H new ATOM 0 HB3 SER A 67 -9.282 7.343 -1.674 1.00 0.00 H new ATOM 0 HG SER A 67 -9.185 7.394 -4.001 1.00 0.00 H new ATOM 1040 N LEU A 68 -6.597 4.575 -1.967 1.00 0.00 N ATOM 1041 CA LEU A 68 -5.830 3.491 -2.546 1.00 0.00 C ATOM 1042 C LEU A 68 -5.891 3.578 -4.053 1.00 0.00 C ATOM 1043 O LEU A 68 -4.935 3.241 -4.755 1.00 0.00 O ATOM 1044 CB LEU A 68 -6.414 2.154 -2.103 1.00 0.00 C ATOM 1045 CG LEU A 68 -6.427 1.876 -0.603 1.00 0.00 C ATOM 1046 CD1 LEU A 68 -7.024 0.512 -0.327 1.00 0.00 C ATOM 1047 CD2 LEU A 68 -5.026 1.978 -0.023 1.00 0.00 C ATOM 0 H LEU A 68 -7.422 4.264 -1.454 1.00 0.00 H new ATOM 0 HA LEU A 68 -4.795 3.568 -2.212 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -7.439 2.092 -2.470 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -5.852 1.358 -2.592 1.00 0.00 H new ATOM 0 HG LEU A 68 -7.047 2.630 -0.118 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -7.027 0.327 0.747 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -8.046 0.479 -0.704 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -6.429 -0.253 -0.825 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -5.060 1.776 1.048 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -4.377 1.250 -0.509 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -4.635 2.982 -0.191 1.00 0.00 H new ATOM 1059 N LYS A 69 -7.003 4.087 -4.529 1.00 0.00 N ATOM 1060 CA LYS A 69 -7.274 4.194 -5.943 1.00 0.00 C ATOM 1061 C LYS A 69 -6.346 5.240 -6.535 1.00 0.00 C ATOM 1062 O LYS A 69 -5.776 5.052 -7.606 1.00 0.00 O ATOM 1063 CB LYS A 69 -8.774 4.576 -6.140 1.00 0.00 C ATOM 1064 CG LYS A 69 -9.336 4.517 -7.583 1.00 0.00 C ATOM 1065 CD LYS A 69 -8.807 5.612 -8.514 1.00 0.00 C ATOM 1066 CE LYS A 69 -9.202 7.002 -8.041 1.00 0.00 C ATOM 1067 NZ LYS A 69 -8.759 8.052 -8.981 1.00 0.00 N ATOM 0 H LYS A 69 -7.754 4.443 -3.938 1.00 0.00 H new ATOM 0 HA LYS A 69 -7.095 3.248 -6.453 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -9.376 3.915 -5.516 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -8.917 5.589 -5.763 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -9.097 3.545 -8.013 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -10.423 4.588 -7.540 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -7.721 5.544 -8.573 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -9.192 5.449 -9.521 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -10.285 7.052 -7.926 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -8.768 7.188 -7.059 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -9.048 8.984 -8.622 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -7.723 8.022 -9.072 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -9.193 7.890 -9.912 1.00 0.00 H new ATOM 1081 N ASP A 70 -6.171 6.320 -5.805 1.00 0.00 N ATOM 1082 CA ASP A 70 -5.349 7.429 -6.264 1.00 0.00 C ATOM 1083 C ASP A 70 -3.874 7.048 -6.147 1.00 0.00 C ATOM 1084 O ASP A 70 -3.025 7.494 -6.920 1.00 0.00 O ATOM 1085 CB ASP A 70 -5.635 8.653 -5.411 1.00 0.00 C ATOM 1086 CG ASP A 70 -5.141 9.946 -6.033 1.00 0.00 C ATOM 1087 OD1 ASP A 70 -3.921 10.206 -6.037 1.00 0.00 O ATOM 1088 OD2 ASP A 70 -5.988 10.721 -6.538 1.00 0.00 O ATOM 0 H ASP A 70 -6.588 6.458 -4.885 1.00 0.00 H new ATOM 0 HA ASP A 70 -5.581 7.654 -7.305 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -6.709 8.726 -5.242 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -5.166 8.525 -4.435 1.00 0.00 H new ATOM 1093 N LEU A 71 -3.594 6.199 -5.175 1.00 0.00 N ATOM 1094 CA LEU A 71 -2.238 5.694 -4.917 1.00 0.00 C ATOM 1095 C LEU A 71 -1.791 4.648 -5.924 1.00 0.00 C ATOM 1096 O LEU A 71 -0.601 4.331 -5.998 1.00 0.00 O ATOM 1097 CB LEU A 71 -2.140 5.116 -3.507 1.00 0.00 C ATOM 1098 CG LEU A 71 -2.205 6.118 -2.373 1.00 0.00 C ATOM 1099 CD1 LEU A 71 -2.330 5.404 -1.048 1.00 0.00 C ATOM 1100 CD2 LEU A 71 -0.956 6.972 -2.374 1.00 0.00 C ATOM 0 H LEU A 71 -4.297 5.833 -4.534 1.00 0.00 H new ATOM 0 HA LEU A 71 -1.571 6.550 -5.018 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -2.946 4.394 -3.375 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -1.203 4.565 -3.426 1.00 0.00 H new ATOM 0 HG LEU A 71 -3.080 6.753 -2.515 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -2.376 6.137 -0.243 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -3.239 4.803 -1.043 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -1.466 4.756 -0.901 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -1.007 7.692 -1.557 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -0.080 6.336 -2.244 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -0.880 7.504 -3.322 1.00 0.00 H new ATOM 1112 N GLY A 72 -2.713 4.126 -6.694 1.00 0.00 N ATOM 1113 CA GLY A 72 -2.362 3.125 -7.676 1.00 0.00 C ATOM 1114 C GLY A 72 -2.318 1.736 -7.082 1.00 0.00 C ATOM 1115 O GLY A 72 -1.709 0.826 -7.643 1.00 0.00 O ATOM 0 H GLY A 72 -3.702 4.372 -6.663 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -3.086 3.148 -8.491 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -1.390 3.366 -8.107 1.00 0.00 H new ATOM 1119 N VAL A 73 -2.952 1.578 -5.949 1.00 0.00 N ATOM 1120 CA VAL A 73 -3.051 0.293 -5.312 1.00 0.00 C ATOM 1121 C VAL A 73 -4.224 -0.409 -5.944 1.00 0.00 C ATOM 1122 O VAL A 73 -5.321 0.111 -5.928 1.00 0.00 O ATOM 1123 CB VAL A 73 -3.303 0.433 -3.791 1.00 0.00 C ATOM 1124 CG1 VAL A 73 -3.389 -0.928 -3.124 1.00 0.00 C ATOM 1125 CG2 VAL A 73 -2.226 1.284 -3.135 1.00 0.00 C ATOM 0 H VAL A 73 -3.413 2.335 -5.444 1.00 0.00 H new ATOM 0 HA VAL A 73 -2.120 -0.260 -5.440 1.00 0.00 H new ATOM 0 HB VAL A 73 -4.261 0.936 -3.659 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -3.566 -0.799 -2.056 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -4.209 -1.497 -3.562 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -2.453 -1.466 -3.274 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -2.427 1.366 -2.067 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -1.252 0.818 -3.286 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -2.226 2.278 -3.582 1.00 0.00 H new ATOM 1135 N ARG A 74 -3.998 -1.550 -6.533 1.00 0.00 N ATOM 1136 CA ARG A 74 -5.060 -2.244 -7.232 1.00 0.00 C ATOM 1137 C ARG A 74 -5.232 -3.637 -6.658 1.00 0.00 C ATOM 1138 O ARG A 74 -4.509 -4.028 -5.734 1.00 0.00 O ATOM 1139 CB ARG A 74 -4.751 -2.320 -8.732 1.00 0.00 C ATOM 1140 CG ARG A 74 -4.448 -0.980 -9.389 1.00 0.00 C ATOM 1141 CD ARG A 74 -5.608 -0.006 -9.285 1.00 0.00 C ATOM 1142 NE ARG A 74 -5.259 1.281 -9.882 1.00 0.00 N ATOM 1143 CZ ARG A 74 -6.055 2.344 -9.958 1.00 0.00 C ATOM 1144 NH1 ARG A 74 -7.278 2.316 -9.444 1.00 0.00 N ATOM 1145 NH2 ARG A 74 -5.617 3.443 -10.541 1.00 0.00 N ATOM 0 H ARG A 74 -3.094 -2.023 -6.547 1.00 0.00 H new ATOM 0 HA ARG A 74 -5.990 -1.690 -7.099 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -3.898 -2.983 -8.880 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -5.601 -2.775 -9.241 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -3.566 -0.541 -8.922 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -4.206 -1.141 -10.440 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -6.483 -0.420 -9.787 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -5.878 0.135 -8.238 1.00 0.00 H new ATOM 0 HE ARG A 74 -4.322 1.372 -10.275 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -7.618 1.472 -8.983 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -7.878 3.139 -9.509 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -4.674 3.473 -10.929 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -6.221 4.263 -10.604 1.00 0.00 H new ATOM 1159 N ASP A 75 -6.166 -4.387 -7.207 1.00 0.00 N ATOM 1160 CA ASP A 75 -6.460 -5.726 -6.719 1.00 0.00 C ATOM 1161 C ASP A 75 -5.392 -6.674 -7.154 1.00 0.00 C ATOM 1162 O ASP A 75 -4.868 -6.581 -8.263 1.00 0.00 O ATOM 1163 CB ASP A 75 -7.806 -6.203 -7.243 1.00 0.00 C ATOM 1164 CG ASP A 75 -8.299 -7.512 -6.656 1.00 0.00 C ATOM 1165 OD1 ASP A 75 -7.809 -8.588 -7.041 1.00 0.00 O ATOM 1166 OD2 ASP A 75 -9.214 -7.474 -5.824 1.00 0.00 O ATOM 0 H ASP A 75 -6.740 -4.092 -7.997 1.00 0.00 H new ATOM 0 HA ASP A 75 -6.497 -5.694 -5.630 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -8.550 -5.431 -7.045 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -7.739 -6.311 -8.326 1.00 0.00 H new ATOM 1171 N GLY A 76 -5.082 -7.558 -6.295 1.00 0.00 N ATOM 1172 CA GLY A 76 -4.057 -8.571 -6.555 1.00 0.00 C ATOM 1173 C GLY A 76 -2.617 -8.088 -6.353 1.00 0.00 C ATOM 1174 O GLY A 76 -1.676 -8.864 -6.513 1.00 0.00 O ATOM 0 H GLY A 76 -5.515 -7.629 -5.374 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -4.235 -9.425 -5.901 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -4.167 -8.926 -7.580 1.00 0.00 H new ATOM 1178 N TYR A 77 -2.441 -6.831 -6.019 1.00 0.00 N ATOM 1179 CA TYR A 77 -1.109 -6.282 -5.782 1.00 0.00 C ATOM 1180 C TYR A 77 -0.710 -6.500 -4.344 1.00 0.00 C ATOM 1181 O TYR A 77 -1.581 -6.575 -3.456 1.00 0.00 O ATOM 1182 CB TYR A 77 -1.050 -4.791 -6.164 1.00 0.00 C ATOM 1183 CG TYR A 77 -1.151 -4.537 -7.664 1.00 0.00 C ATOM 1184 CD1 TYR A 77 -2.326 -4.775 -8.357 1.00 0.00 C ATOM 1185 CD2 TYR A 77 -0.065 -4.062 -8.382 1.00 0.00 C ATOM 1186 CE1 TYR A 77 -2.419 -4.549 -9.715 1.00 0.00 C ATOM 1187 CE2 TYR A 77 -0.151 -3.829 -9.744 1.00 0.00 C ATOM 1188 CZ TYR A 77 -1.331 -4.078 -10.401 1.00 0.00 C ATOM 1189 OH TYR A 77 -1.423 -3.858 -11.758 1.00 0.00 O ATOM 0 H TYR A 77 -3.201 -6.160 -5.903 1.00 0.00 H new ATOM 0 HA TYR A 77 -0.395 -6.806 -6.418 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -1.860 -4.264 -5.660 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -0.116 -4.367 -5.795 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -3.188 -5.146 -7.823 1.00 0.00 H new ATOM 0 HD2 TYR A 77 0.866 -3.870 -7.869 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -3.346 -4.743 -10.235 1.00 0.00 H new ATOM 0 HE2 TYR A 77 0.704 -3.454 -10.286 1.00 0.00 H new ATOM 0 HH TYR A 77 -0.565 -3.523 -12.094 1.00 0.00 H new ATOM 1199 N ARG A 78 0.580 -6.600 -4.088 1.00 0.00 N ATOM 1200 CA ARG A 78 1.011 -6.860 -2.749 1.00 0.00 C ATOM 1201 C ARG A 78 1.586 -5.639 -2.087 1.00 0.00 C ATOM 1202 O ARG A 78 2.417 -4.914 -2.654 1.00 0.00 O ATOM 1203 CB ARG A 78 1.977 -8.058 -2.617 1.00 0.00 C ATOM 1204 CG ARG A 78 3.268 -7.939 -3.394 1.00 0.00 C ATOM 1205 CD ARG A 78 4.244 -9.057 -3.040 1.00 0.00 C ATOM 1206 NE ARG A 78 3.673 -10.394 -3.232 1.00 0.00 N ATOM 1207 CZ ARG A 78 4.365 -11.533 -3.291 1.00 0.00 C ATOM 1208 NH1 ARG A 78 5.684 -11.525 -3.235 1.00 0.00 N ATOM 1209 NH2 ARG A 78 3.720 -12.673 -3.407 1.00 0.00 N ATOM 0 H ARG A 78 1.325 -6.506 -4.779 1.00 0.00 H new ATOM 0 HA ARG A 78 0.100 -7.141 -2.220 1.00 0.00 H new ATOM 0 HB2 ARG A 78 2.218 -8.194 -1.563 1.00 0.00 H new ATOM 0 HB3 ARG A 78 1.458 -8.959 -2.944 1.00 0.00 H new ATOM 0 HG2 ARG A 78 3.054 -7.967 -4.462 1.00 0.00 H new ATOM 0 HG3 ARG A 78 3.730 -6.974 -3.187 1.00 0.00 H new ATOM 0 HD2 ARG A 78 5.140 -8.958 -3.653 1.00 0.00 H new ATOM 0 HD3 ARG A 78 4.555 -8.946 -2.001 1.00 0.00 H new ATOM 0 HE ARG A 78 2.660 -10.459 -3.329 1.00 0.00 H new ATOM 0 HH11 ARG A 78 6.185 -10.641 -3.146 1.00 0.00 H new ATOM 0 HH12 ARG A 78 6.202 -12.403 -3.281 1.00 0.00 H new ATOM 0 HH21 ARG A 78 2.701 -12.680 -3.451 1.00 0.00 H new ATOM 0 HH22 ARG A 78 4.239 -13.550 -3.453 1.00 0.00 H new ATOM 1223 N ILE A 79 1.134 -5.422 -0.897 1.00 0.00 N ATOM 1224 CA ILE A 79 1.578 -4.349 -0.078 1.00 0.00 C ATOM 1225 C ILE A 79 2.553 -4.915 0.914 1.00 0.00 C ATOM 1226 O ILE A 79 2.226 -5.838 1.659 1.00 0.00 O ATOM 1227 CB ILE A 79 0.393 -3.695 0.690 1.00 0.00 C ATOM 1228 CG1 ILE A 79 -0.636 -3.100 -0.281 1.00 0.00 C ATOM 1229 CG2 ILE A 79 0.887 -2.629 1.656 1.00 0.00 C ATOM 1230 CD1 ILE A 79 -0.095 -2.003 -1.180 1.00 0.00 C ATOM 0 H ILE A 79 0.423 -6.006 -0.456 1.00 0.00 H new ATOM 0 HA ILE A 79 2.036 -3.581 -0.701 1.00 0.00 H new ATOM 0 HB ILE A 79 -0.096 -4.480 1.267 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -1.033 -3.901 -0.905 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -1.471 -2.701 0.295 1.00 0.00 H new ATOM 0 HG21 ILE A 79 0.037 -2.189 2.178 1.00 0.00 H new ATOM 0 HG22 ILE A 79 1.564 -3.081 2.381 1.00 0.00 H new ATOM 0 HG23 ILE A 79 1.414 -1.852 1.102 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -0.890 -1.642 -1.832 1.00 0.00 H new ATOM 0 HD12 ILE A 79 0.274 -1.180 -0.568 1.00 0.00 H new ATOM 0 HD13 ILE A 79 0.720 -2.398 -1.786 1.00 0.00 H new ATOM 1242 N HIS A 80 3.738 -4.419 0.893 1.00 0.00 N ATOM 1243 CA HIS A 80 4.749 -4.858 1.793 1.00 0.00 C ATOM 1244 C HIS A 80 4.857 -3.909 2.959 1.00 0.00 C ATOM 1245 O HIS A 80 5.197 -2.738 2.789 1.00 0.00 O ATOM 1246 CB HIS A 80 6.098 -5.016 1.067 1.00 0.00 C ATOM 1247 CG HIS A 80 7.230 -5.373 1.972 1.00 0.00 C ATOM 1248 ND1 HIS A 80 7.364 -6.609 2.549 1.00 0.00 N ATOM 1249 CD2 HIS A 80 8.251 -4.622 2.442 1.00 0.00 C ATOM 1250 CE1 HIS A 80 8.403 -6.615 3.347 1.00 0.00 C ATOM 1251 NE2 HIS A 80 8.974 -5.423 3.302 1.00 0.00 N ATOM 0 H HIS A 80 4.038 -3.690 0.246 1.00 0.00 H new ATOM 0 HA HIS A 80 4.471 -5.838 2.180 1.00 0.00 H new ATOM 0 HB2 HIS A 80 6.000 -5.786 0.301 1.00 0.00 H new ATOM 0 HB3 HIS A 80 6.335 -4.084 0.554 1.00 0.00 H new ATOM 0 HD2 HIS A 80 8.461 -3.592 2.192 1.00 0.00 H new ATOM 0 HE1 HIS A 80 8.737 -7.452 3.942 1.00 0.00 H new ATOM 0 HE2 HIS A 80 9.809 -5.143 3.817 1.00 0.00 H new ATOM 1260 N ALA A 81 4.584 -4.421 4.118 1.00 0.00 N ATOM 1261 CA ALA A 81 4.640 -3.676 5.329 1.00 0.00 C ATOM 1262 C ALA A 81 5.937 -3.955 6.020 1.00 0.00 C ATOM 1263 O ALA A 81 6.393 -5.102 6.067 1.00 0.00 O ATOM 1264 CB ALA A 81 3.482 -4.075 6.216 1.00 0.00 C ATOM 0 H ALA A 81 4.309 -5.395 4.248 1.00 0.00 H new ATOM 0 HA ALA A 81 4.572 -2.610 5.113 1.00 0.00 H new ATOM 0 HB1 ALA A 81 3.522 -3.506 7.145 1.00 0.00 H new ATOM 0 HB2 ALA A 81 2.543 -3.867 5.703 1.00 0.00 H new ATOM 0 HB3 ALA A 81 3.545 -5.140 6.440 1.00 0.00 H new ATOM 1270 N VAL A 82 6.549 -2.933 6.515 1.00 0.00 N ATOM 1271 CA VAL A 82 7.757 -3.071 7.241 1.00 0.00 C ATOM 1272 C VAL A 82 7.788 -2.068 8.377 1.00 0.00 C ATOM 1273 O VAL A 82 7.443 -0.905 8.196 1.00 0.00 O ATOM 1274 CB VAL A 82 9.003 -2.920 6.296 1.00 0.00 C ATOM 1275 CG1 VAL A 82 9.054 -1.559 5.611 1.00 0.00 C ATOM 1276 CG2 VAL A 82 10.316 -3.217 7.008 1.00 0.00 C ATOM 0 H VAL A 82 6.219 -1.972 6.424 1.00 0.00 H new ATOM 0 HA VAL A 82 7.803 -4.073 7.668 1.00 0.00 H new ATOM 0 HB VAL A 82 8.874 -3.674 5.519 1.00 0.00 H new ATOM 0 HG11 VAL A 82 9.934 -1.507 4.970 1.00 0.00 H new ATOM 0 HG12 VAL A 82 8.157 -1.422 5.008 1.00 0.00 H new ATOM 0 HG13 VAL A 82 9.108 -0.774 6.365 1.00 0.00 H new ATOM 0 HG21 VAL A 82 11.144 -3.098 6.309 1.00 0.00 H new ATOM 0 HG22 VAL A 82 10.442 -2.526 7.842 1.00 0.00 H new ATOM 0 HG23 VAL A 82 10.303 -4.240 7.384 1.00 0.00 H new ATOM 1286 N ASP A 83 8.137 -2.531 9.536 1.00 0.00 N ATOM 1287 CA ASP A 83 8.271 -1.717 10.675 1.00 0.00 C ATOM 1288 C ASP A 83 9.713 -1.285 10.789 1.00 0.00 C ATOM 1289 O ASP A 83 10.623 -2.100 10.724 1.00 0.00 O ATOM 1290 CB ASP A 83 7.825 -2.496 11.913 1.00 0.00 C ATOM 1291 CG ASP A 83 8.602 -3.780 12.145 1.00 0.00 C ATOM 1292 OD1 ASP A 83 8.395 -4.758 11.373 1.00 0.00 O ATOM 1293 OD2 ASP A 83 9.404 -3.839 13.103 1.00 0.00 O ATOM 0 H ASP A 83 8.340 -3.516 9.708 1.00 0.00 H new ATOM 0 HA ASP A 83 7.643 -0.830 10.592 1.00 0.00 H new ATOM 0 HB2 ASP A 83 7.929 -1.857 12.790 1.00 0.00 H new ATOM 0 HB3 ASP A 83 6.766 -2.736 11.817 1.00 0.00 H new ATOM 1298 N VAL A 84 9.931 -0.011 10.933 1.00 0.00 N ATOM 1299 CA VAL A 84 11.274 0.508 10.997 1.00 0.00 C ATOM 1300 C VAL A 84 11.856 0.396 12.402 1.00 0.00 C ATOM 1301 O VAL A 84 13.052 0.622 12.612 1.00 0.00 O ATOM 1302 CB VAL A 84 11.341 1.981 10.516 1.00 0.00 C ATOM 1303 CG1 VAL A 84 10.856 2.104 9.081 1.00 0.00 C ATOM 1304 CG2 VAL A 84 10.546 2.906 11.432 1.00 0.00 C ATOM 0 H VAL A 84 9.197 0.693 11.009 1.00 0.00 H new ATOM 0 HA VAL A 84 11.875 -0.104 10.325 1.00 0.00 H new ATOM 0 HB VAL A 84 12.385 2.291 10.556 1.00 0.00 H new ATOM 0 HG11 VAL A 84 10.912 3.146 8.766 1.00 0.00 H new ATOM 0 HG12 VAL A 84 11.484 1.494 8.431 1.00 0.00 H new ATOM 0 HG13 VAL A 84 9.824 1.760 9.015 1.00 0.00 H new ATOM 0 HG21 VAL A 84 10.615 3.930 11.064 1.00 0.00 H new ATOM 0 HG22 VAL A 84 9.501 2.595 11.445 1.00 0.00 H new ATOM 0 HG23 VAL A 84 10.952 2.855 12.442 1.00 0.00 H new ATOM 1314 N THR A 85 11.020 0.026 13.351 1.00 0.00 N ATOM 1315 CA THR A 85 11.426 -0.018 14.733 1.00 0.00 C ATOM 1316 C THR A 85 12.122 -1.333 15.093 1.00 0.00 C ATOM 1317 O THR A 85 13.032 -1.353 15.922 1.00 0.00 O ATOM 1318 CB THR A 85 10.211 0.217 15.653 1.00 0.00 C ATOM 1319 OG1 THR A 85 9.506 1.380 15.197 1.00 0.00 O ATOM 1320 CG2 THR A 85 10.648 0.441 17.098 1.00 0.00 C ATOM 0 H THR A 85 10.052 -0.249 13.185 1.00 0.00 H new ATOM 0 HA THR A 85 12.152 0.781 14.883 1.00 0.00 H new ATOM 0 HB THR A 85 9.572 -0.666 15.618 1.00 0.00 H new ATOM 0 HG1 THR A 85 8.671 1.475 15.701 1.00 0.00 H new ATOM 0 HG21 THR A 85 9.770 0.604 17.723 1.00 0.00 H new ATOM 0 HG22 THR A 85 11.189 -0.435 17.454 1.00 0.00 H new ATOM 0 HG23 THR A 85 11.298 1.315 17.150 1.00 0.00 H new