USER MOD reduce.3.24.130724 H: found=0, std=0, add=643, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 644 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 83 CYS SG : rot 71:sc= 1.99 USER MOD Set 1.2: A 85 TYR OH : rot -57:sc= 0.766 USER MOD Single : A 5 HIS : no HD1:sc= 0.106 K(o=0.11,f=-0.45) USER MOD Single : A 12 HIS : no HD1:sc= -0.135 X(o=-0.13,f=0) USER MOD Single : A 16 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot -34:sc= 0.454 USER MOD Single : A 22 CYS SG : rot -13:sc= 0.0417 USER MOD Single : A 24 MET CE :methyl 164:sc= -0.0812 (180deg=-0.412) USER MOD Single : A 27 CYS SG : rot -150:sc= -0.664 USER MOD Single : A 39 TYR OH : rot 180:sc= -0.0659 USER MOD Single : A 40 LYS NZ :NH3+ 149:sc= 1.04 (180deg=0.366) USER MOD Single : A 43 GLN : amide:sc= -0.526 X(o=-0.53,f=-0.25) USER MOD Single : A 48 SER OG : rot 12:sc= 0.383 USER MOD Single : A 55 ASN :FLIP amide:sc= -0.91 F(o=-2.8!,f=-0.91) USER MOD Single : A 59 HIS : no HD1:sc= -0.0329 X(o=-0.033,f=-0.0043) USER MOD Single : A 67 THR OG1 : rot 75:sc= 1.1 USER MOD Single : A 68 GLN : amide:sc= 0.0698 X(o=0.07,f=0) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 76 GLN : amide:sc= -0.196 X(o=-0.2,f=0) USER MOD Single : A 77 CYS SG : rot -33:sc= -2.63 USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 50 N VAL A 4 -11.738 -10.742 -2.490 1.00 62.34 N ATOM 51 CA VAL A 4 -10.280 -10.645 -2.264 1.00 20.45 C ATOM 52 C VAL A 4 -9.941 -9.765 -1.024 1.00 44.02 C ATOM 53 O VAL A 4 -10.051 -8.534 -1.040 1.00 44.31 O ATOM 54 CB VAL A 4 -9.522 -10.160 -3.556 1.00 33.44 C ATOM 55 CG1 VAL A 4 -10.125 -8.859 -4.120 1.00 63.21 C ATOM 56 CG2 VAL A 4 -7.995 -10.031 -3.308 1.00 45.42 C ATOM 0 HA VAL A 4 -9.922 -11.651 -2.043 1.00 20.45 H new ATOM 0 HB VAL A 4 -9.659 -10.928 -4.317 1.00 33.44 H new ATOM 0 HG11 VAL A 4 -9.573 -8.559 -5.011 1.00 63.21 H new ATOM 0 HG12 VAL A 4 -11.171 -9.025 -4.380 1.00 63.21 H new ATOM 0 HG13 VAL A 4 -10.058 -8.072 -3.369 1.00 63.21 H new ATOM 0 HG21 VAL A 4 -7.505 -9.694 -4.222 1.00 45.42 H new ATOM 0 HG22 VAL A 4 -7.815 -9.308 -2.512 1.00 45.42 H new ATOM 0 HG23 VAL A 4 -7.591 -11.000 -3.016 1.00 45.42 H new ATOM 66 N HIS A 5 -9.573 -10.441 0.066 1.00 34.15 N ATOM 67 CA HIS A 5 -9.236 -9.804 1.351 1.00 24.51 C ATOM 68 C HIS A 5 -7.703 -9.703 1.520 1.00 41.53 C ATOM 69 O HIS A 5 -6.940 -10.279 0.748 1.00 20.25 O ATOM 70 CB HIS A 5 -9.882 -10.606 2.507 1.00 64.10 C ATOM 71 CG HIS A 5 -11.389 -10.723 2.408 1.00 71.52 C ATOM 72 ND1 HIS A 5 -12.077 -11.888 2.666 1.00 51.44 N ATOM 73 CD2 HIS A 5 -12.338 -9.797 2.118 1.00 10.12 C ATOM 74 CE1 HIS A 5 -13.368 -11.677 2.543 1.00 53.00 C ATOM 75 NE2 HIS A 5 -13.557 -10.416 2.213 1.00 62.23 N ATOM 0 H HIS A 5 -9.498 -11.458 0.087 1.00 34.15 H new ATOM 0 HA HIS A 5 -9.633 -8.789 1.370 1.00 24.51 H new ATOM 0 HB2 HIS A 5 -9.451 -11.607 2.527 1.00 64.10 H new ATOM 0 HB3 HIS A 5 -9.626 -10.130 3.453 1.00 64.10 H new ATOM 0 HD2 HIS A 5 -12.164 -8.763 1.860 1.00 10.12 H new ATOM 0 HE1 HIS A 5 -14.144 -12.414 2.688 1.00 53.00 H new ATOM 0 HE2 HIS A 5 -14.462 -9.973 2.054 1.00 62.23 H new ATOM 84 N ILE A 6 -7.257 -8.956 2.539 1.00 44.41 N ATOM 85 CA ILE A 6 -5.821 -8.623 2.722 1.00 22.52 C ATOM 86 C ILE A 6 -5.197 -9.457 3.870 1.00 74.15 C ATOM 87 O ILE A 6 -5.690 -9.434 5.000 1.00 23.11 O ATOM 88 CB ILE A 6 -5.666 -7.077 2.974 1.00 74.23 C ATOM 89 CG1 ILE A 6 -6.305 -6.288 1.775 1.00 72.51 C ATOM 90 CG2 ILE A 6 -4.180 -6.675 3.177 1.00 70.30 C ATOM 91 CD1 ILE A 6 -6.285 -4.778 1.892 1.00 43.32 C ATOM 0 H ILE A 6 -7.867 -8.565 3.257 1.00 44.41 H new ATOM 0 HA ILE A 6 -5.277 -8.880 1.813 1.00 22.52 H new ATOM 0 HB ILE A 6 -6.191 -6.820 3.894 1.00 74.23 H new ATOM 0 HG12 ILE A 6 -5.783 -6.569 0.861 1.00 72.51 H new ATOM 0 HG13 ILE A 6 -7.340 -6.611 1.663 1.00 72.51 H new ATOM 0 HG21 ILE A 6 -4.114 -5.601 3.348 1.00 70.30 H new ATOM 0 HG22 ILE A 6 -3.774 -7.205 4.038 1.00 70.30 H new ATOM 0 HG23 ILE A 6 -3.607 -6.937 2.287 1.00 70.30 H new ATOM 0 HD11 ILE A 6 -6.751 -4.339 1.010 1.00 43.32 H new ATOM 0 HD12 ILE A 6 -6.835 -4.475 2.783 1.00 43.32 H new ATOM 0 HD13 ILE A 6 -5.254 -4.433 1.968 1.00 43.32 H new ATOM 103 N VAL A 7 -4.112 -10.199 3.555 1.00 55.13 N ATOM 104 CA VAL A 7 -3.426 -11.101 4.518 1.00 62.32 C ATOM 105 C VAL A 7 -2.439 -10.336 5.441 1.00 34.11 C ATOM 106 O VAL A 7 -2.372 -10.604 6.651 1.00 64.13 O ATOM 107 CB VAL A 7 -2.674 -12.281 3.773 1.00 31.11 C ATOM 108 CG1 VAL A 7 -3.684 -13.260 3.126 1.00 51.43 C ATOM 109 CG2 VAL A 7 -1.669 -11.755 2.710 1.00 61.44 C ATOM 0 H VAL A 7 -3.685 -10.192 2.629 1.00 55.13 H new ATOM 0 HA VAL A 7 -4.207 -11.528 5.148 1.00 62.32 H new ATOM 0 HB VAL A 7 -2.100 -12.819 4.528 1.00 31.11 H new ATOM 0 HG11 VAL A 7 -3.143 -14.060 2.621 1.00 51.43 H new ATOM 0 HG12 VAL A 7 -4.324 -13.686 3.899 1.00 51.43 H new ATOM 0 HG13 VAL A 7 -4.297 -12.724 2.402 1.00 51.43 H new ATOM 0 HG21 VAL A 7 -1.177 -12.598 2.225 1.00 61.44 H new ATOM 0 HG22 VAL A 7 -2.204 -11.168 1.963 1.00 61.44 H new ATOM 0 HG23 VAL A 7 -0.920 -11.129 3.195 1.00 61.44 H new ATOM 119 N ASP A 8 -1.685 -9.386 4.857 1.00 75.33 N ATOM 120 CA ASP A 8 -0.702 -8.564 5.586 1.00 25.21 C ATOM 121 C ASP A 8 -0.379 -7.280 4.765 1.00 24.02 C ATOM 122 O ASP A 8 0.099 -7.391 3.631 1.00 33.54 O ATOM 123 CB ASP A 8 0.595 -9.379 5.871 1.00 72.24 C ATOM 124 CG ASP A 8 1.558 -8.651 6.829 1.00 12.15 C ATOM 125 OD1 ASP A 8 1.207 -8.484 8.013 1.00 55.40 O ATOM 126 OD2 ASP A 8 2.658 -8.234 6.408 1.00 33.31 O ATOM 0 H ASP A 8 -1.741 -9.167 3.862 1.00 75.33 H new ATOM 0 HA ASP A 8 -1.129 -8.271 6.545 1.00 25.21 H new ATOM 0 HB2 ASP A 8 0.325 -10.345 6.298 1.00 72.24 H new ATOM 0 HB3 ASP A 8 1.108 -9.579 4.930 1.00 72.24 H new ATOM 131 N PRO A 9 -0.626 -6.035 5.305 1.00 34.15 N ATOM 132 CA PRO A 9 -1.177 -5.790 6.669 1.00 2.51 C ATOM 133 C PRO A 9 -2.715 -6.020 6.778 1.00 3.45 C ATOM 134 O PRO A 9 -3.513 -5.396 6.071 1.00 63.21 O ATOM 135 CB PRO A 9 -0.811 -4.311 6.919 1.00 10.53 C ATOM 136 CG PRO A 9 -0.855 -3.683 5.559 1.00 43.03 C ATOM 137 CD PRO A 9 -0.360 -4.749 4.598 1.00 21.24 C ATOM 0 HA PRO A 9 -0.768 -6.485 7.403 1.00 2.51 H new ATOM 0 HB2 PRO A 9 -1.518 -3.836 7.599 1.00 10.53 H new ATOM 0 HB3 PRO A 9 0.177 -4.216 7.369 1.00 10.53 H new ATOM 0 HG2 PRO A 9 -1.867 -3.367 5.306 1.00 43.03 H new ATOM 0 HG3 PRO A 9 -0.224 -2.795 5.517 1.00 43.03 H new ATOM 0 HD2 PRO A 9 -0.888 -4.702 3.646 1.00 21.24 H new ATOM 0 HD3 PRO A 9 0.701 -4.627 4.381 1.00 21.24 H new ATOM 145 N ARG A 10 -3.109 -6.909 7.706 1.00 75.23 N ATOM 146 CA ARG A 10 -4.527 -7.250 7.976 1.00 63.34 C ATOM 147 C ARG A 10 -5.184 -6.182 8.925 1.00 21.23 C ATOM 148 O ARG A 10 -6.346 -6.304 9.314 1.00 51.50 O ATOM 149 CB ARG A 10 -4.562 -8.709 8.569 1.00 0.33 C ATOM 150 CG ARG A 10 -5.870 -9.528 8.358 1.00 64.14 C ATOM 151 CD ARG A 10 -6.936 -9.310 9.446 1.00 71.40 C ATOM 152 NE ARG A 10 -6.471 -9.753 10.776 1.00 14.44 N ATOM 153 CZ ARG A 10 -6.430 -9.022 11.869 1.00 20.11 C ATOM 154 NH1 ARG A 10 -6.718 -7.760 11.857 1.00 64.11 N ATOM 155 NH2 ARG A 10 -6.071 -9.568 12.983 1.00 54.41 N ATOM 0 H ARG A 10 -2.452 -7.418 8.297 1.00 75.23 H new ATOM 0 HA ARG A 10 -5.119 -7.230 7.061 1.00 63.34 H new ATOM 0 HB2 ARG A 10 -3.736 -9.271 8.133 1.00 0.33 H new ATOM 0 HB3 ARG A 10 -4.373 -8.644 9.640 1.00 0.33 H new ATOM 0 HG2 ARG A 10 -6.297 -9.266 7.390 1.00 64.14 H new ATOM 0 HG3 ARG A 10 -5.619 -10.588 8.319 1.00 64.14 H new ATOM 0 HD2 ARG A 10 -7.200 -8.253 9.488 1.00 71.40 H new ATOM 0 HD3 ARG A 10 -7.842 -9.854 9.179 1.00 71.40 H new ATOM 0 HE ARG A 10 -6.151 -10.718 10.855 1.00 14.44 H new ATOM 0 HH11 ARG A 10 -6.986 -7.306 10.984 1.00 64.11 H new ATOM 0 HH12 ARG A 10 -6.677 -7.219 12.721 1.00 64.11 H new ATOM 0 HH21 ARG A 10 -5.823 -10.557 13.010 1.00 54.41 H new ATOM 0 HH22 ARG A 10 -6.036 -9.010 13.836 1.00 54.41 H new ATOM 169 N GLU A 11 -4.437 -5.103 9.249 1.00 33.40 N ATOM 170 CA GLU A 11 -4.880 -4.039 10.189 1.00 4.02 C ATOM 171 C GLU A 11 -4.550 -2.613 9.651 1.00 24.34 C ATOM 172 O GLU A 11 -4.095 -2.450 8.509 1.00 31.42 O ATOM 173 CB GLU A 11 -4.208 -4.272 11.570 1.00 15.01 C ATOM 174 CG GLU A 11 -2.662 -4.188 11.555 1.00 40.44 C ATOM 175 CD GLU A 11 -2.050 -4.370 12.951 1.00 62.51 C ATOM 176 OE1 GLU A 11 -1.941 -3.379 13.703 1.00 52.34 O ATOM 177 OE2 GLU A 11 -1.708 -5.518 13.316 1.00 3.22 O ATOM 0 H GLU A 11 -3.505 -4.941 8.866 1.00 33.40 H new ATOM 0 HA GLU A 11 -5.964 -4.095 10.290 1.00 4.02 H new ATOM 0 HB2 GLU A 11 -4.592 -3.535 12.276 1.00 15.01 H new ATOM 0 HB3 GLU A 11 -4.502 -5.253 11.942 1.00 15.01 H new ATOM 0 HG2 GLU A 11 -2.266 -4.952 10.886 1.00 40.44 H new ATOM 0 HG3 GLU A 11 -2.358 -3.222 11.151 1.00 40.44 H new ATOM 184 N HIS A 12 -4.786 -1.589 10.500 1.00 32.41 N ATOM 185 CA HIS A 12 -4.515 -0.167 10.181 1.00 72.25 C ATOM 186 C HIS A 12 -3.052 0.198 10.546 1.00 32.44 C ATOM 187 O HIS A 12 -2.678 0.174 11.724 1.00 0.04 O ATOM 188 CB HIS A 12 -5.503 0.741 10.964 1.00 54.03 C ATOM 189 CG HIS A 12 -6.951 0.378 10.767 1.00 65.50 C ATOM 190 ND1 HIS A 12 -7.667 -0.392 11.658 1.00 63.13 N ATOM 191 CD2 HIS A 12 -7.811 0.680 9.771 1.00 45.21 C ATOM 192 CE1 HIS A 12 -8.892 -0.556 11.212 1.00 15.10 C ATOM 193 NE2 HIS A 12 -9.009 0.086 10.070 1.00 0.15 N ATOM 0 H HIS A 12 -5.173 -1.726 11.434 1.00 32.41 H new ATOM 0 HA HIS A 12 -4.654 -0.011 9.111 1.00 72.25 H new ATOM 0 HB2 HIS A 12 -5.266 0.687 12.027 1.00 54.03 H new ATOM 0 HB3 HIS A 12 -5.353 1.776 10.656 1.00 54.03 H new ATOM 0 HD2 HIS A 12 -7.595 1.279 8.899 1.00 45.21 H new ATOM 0 HE1 HIS A 12 -9.671 -1.122 11.701 1.00 15.10 H new ATOM 0 HE2 HIS A 12 -9.854 0.134 9.500 1.00 0.15 H new ATOM 202 N VAL A 13 -2.231 0.521 9.528 1.00 51.52 N ATOM 203 CA VAL A 13 -0.807 0.894 9.725 1.00 35.32 C ATOM 204 C VAL A 13 -0.665 2.421 9.886 1.00 34.40 C ATOM 205 O VAL A 13 -1.172 3.189 9.066 1.00 32.03 O ATOM 206 CB VAL A 13 0.091 0.397 8.530 1.00 43.04 C ATOM 207 CG1 VAL A 13 1.587 0.758 8.739 1.00 4.13 C ATOM 208 CG2 VAL A 13 -0.083 -1.122 8.316 1.00 41.13 C ATOM 0 H VAL A 13 -2.528 0.532 8.552 1.00 51.52 H new ATOM 0 HA VAL A 13 -0.464 0.404 10.636 1.00 35.32 H new ATOM 0 HB VAL A 13 -0.243 0.916 7.632 1.00 43.04 H new ATOM 0 HG11 VAL A 13 2.170 0.397 7.892 1.00 4.13 H new ATOM 0 HG12 VAL A 13 1.693 1.840 8.817 1.00 4.13 H new ATOM 0 HG13 VAL A 13 1.950 0.291 9.655 1.00 4.13 H new ATOM 0 HG21 VAL A 13 0.545 -1.447 7.486 1.00 41.13 H new ATOM 0 HG22 VAL A 13 0.209 -1.653 9.222 1.00 41.13 H new ATOM 0 HG23 VAL A 13 -1.126 -1.340 8.088 1.00 41.13 H new ATOM 218 N PHE A 14 0.027 2.846 10.955 1.00 70.34 N ATOM 219 CA PHE A 14 0.274 4.275 11.245 1.00 74.30 C ATOM 220 C PHE A 14 1.747 4.633 10.912 1.00 70.05 C ATOM 221 O PHE A 14 2.679 4.173 11.581 1.00 32.14 O ATOM 222 CB PHE A 14 -0.061 4.560 12.737 1.00 14.35 C ATOM 223 CG PHE A 14 -1.476 4.117 13.139 1.00 12.51 C ATOM 224 CD1 PHE A 14 -2.595 4.869 12.780 1.00 44.35 C ATOM 225 CD2 PHE A 14 -1.682 2.933 13.858 1.00 22.12 C ATOM 226 CE1 PHE A 14 -3.871 4.457 13.132 1.00 73.12 C ATOM 227 CE2 PHE A 14 -2.958 2.523 14.205 1.00 53.03 C ATOM 228 CZ PHE A 14 -4.051 3.286 13.843 1.00 13.45 C ATOM 0 H PHE A 14 0.432 2.213 11.644 1.00 70.34 H new ATOM 0 HA PHE A 14 -0.368 4.900 10.624 1.00 74.30 H new ATOM 0 HB2 PHE A 14 0.665 4.049 13.369 1.00 14.35 H new ATOM 0 HB3 PHE A 14 0.046 5.628 12.928 1.00 14.35 H new ATOM 0 HD1 PHE A 14 -2.465 5.784 12.221 1.00 44.35 H new ATOM 0 HD2 PHE A 14 -0.833 2.331 14.146 1.00 22.12 H new ATOM 0 HE1 PHE A 14 -4.726 5.053 12.850 1.00 73.12 H new ATOM 0 HE2 PHE A 14 -3.099 1.607 14.759 1.00 53.03 H new ATOM 0 HZ PHE A 14 -5.046 2.967 14.116 1.00 13.45 H new ATOM 238 N VAL A 15 1.934 5.449 9.859 1.00 14.04 N ATOM 239 CA VAL A 15 3.264 5.813 9.309 1.00 75.32 C ATOM 240 C VAL A 15 3.595 7.299 9.604 1.00 15.24 C ATOM 241 O VAL A 15 2.879 8.197 9.173 1.00 31.42 O ATOM 242 CB VAL A 15 3.294 5.560 7.747 1.00 64.42 C ATOM 243 CG1 VAL A 15 4.670 5.914 7.122 1.00 22.44 C ATOM 244 CG2 VAL A 15 2.890 4.099 7.409 1.00 51.40 C ATOM 0 H VAL A 15 1.160 5.882 9.356 1.00 14.04 H new ATOM 0 HA VAL A 15 4.015 5.187 9.791 1.00 75.32 H new ATOM 0 HB VAL A 15 2.558 6.230 7.303 1.00 64.42 H new ATOM 0 HG11 VAL A 15 4.642 5.724 6.049 1.00 22.44 H new ATOM 0 HG12 VAL A 15 4.890 6.967 7.298 1.00 22.44 H new ATOM 0 HG13 VAL A 15 5.446 5.300 7.579 1.00 22.44 H new ATOM 0 HG21 VAL A 15 2.919 3.954 6.329 1.00 51.40 H new ATOM 0 HG22 VAL A 15 3.586 3.409 7.887 1.00 51.40 H new ATOM 0 HG23 VAL A 15 1.881 3.907 7.773 1.00 51.40 H new ATOM 254 N HIS A 16 4.685 7.553 10.342 1.00 45.15 N ATOM 255 CA HIS A 16 5.156 8.926 10.640 1.00 32.12 C ATOM 256 C HIS A 16 6.261 9.342 9.645 1.00 11.32 C ATOM 257 O HIS A 16 7.379 8.817 9.692 1.00 74.00 O ATOM 258 CB HIS A 16 5.648 9.002 12.100 1.00 50.23 C ATOM 259 CG HIS A 16 4.559 8.721 13.100 1.00 44.24 C ATOM 260 ND1 HIS A 16 4.394 7.497 13.709 1.00 54.21 N ATOM 261 CD2 HIS A 16 3.543 9.497 13.550 1.00 34.43 C ATOM 262 CE1 HIS A 16 3.344 7.533 14.494 1.00 11.32 C ATOM 263 NE2 HIS A 16 2.806 8.731 14.417 1.00 44.45 N ATOM 0 H HIS A 16 5.267 6.821 10.750 1.00 45.15 H new ATOM 0 HA HIS A 16 4.329 9.627 10.524 1.00 32.12 H new ATOM 0 HB2 HIS A 16 6.459 8.287 12.243 1.00 50.23 H new ATOM 0 HB3 HIS A 16 6.060 9.993 12.288 1.00 50.23 H new ATOM 0 HD2 HIS A 16 3.350 10.524 13.278 1.00 34.43 H new ATOM 0 HE1 HIS A 16 2.982 6.717 15.101 1.00 11.32 H new ATOM 0 HE2 HIS A 16 1.975 9.040 14.921 1.00 44.45 H new ATOM 272 N ALA A 17 5.925 10.272 8.735 1.00 5.04 N ATOM 273 CA ALA A 17 6.810 10.693 7.629 1.00 31.12 C ATOM 274 C ALA A 17 7.318 12.142 7.800 1.00 21.13 C ATOM 275 O ALA A 17 6.599 13.021 8.274 1.00 33.21 O ATOM 276 CB ALA A 17 6.066 10.550 6.295 1.00 40.11 C ATOM 0 H ALA A 17 5.028 10.757 8.744 1.00 5.04 H new ATOM 0 HA ALA A 17 7.686 10.044 7.641 1.00 31.12 H new ATOM 0 HB1 ALA A 17 6.719 10.861 5.479 1.00 40.11 H new ATOM 0 HB2 ALA A 17 5.775 9.510 6.151 1.00 40.11 H new ATOM 0 HB3 ALA A 17 5.175 11.178 6.306 1.00 40.11 H new ATOM 282 N ILE A 18 8.580 12.364 7.417 1.00 51.44 N ATOM 283 CA ILE A 18 9.162 13.715 7.268 1.00 31.12 C ATOM 284 C ILE A 18 9.284 14.025 5.753 1.00 44.10 C ATOM 285 O ILE A 18 9.330 13.099 4.929 1.00 12.35 O ATOM 286 CB ILE A 18 10.575 13.803 7.978 1.00 40.00 C ATOM 287 CG1 ILE A 18 10.474 13.323 9.471 1.00 1.43 C ATOM 288 CG2 ILE A 18 11.172 15.239 7.905 1.00 11.21 C ATOM 289 CD1 ILE A 18 11.797 13.263 10.227 1.00 23.43 C ATOM 0 H ILE A 18 9.234 11.613 7.199 1.00 51.44 H new ATOM 0 HA ILE A 18 8.516 14.451 7.746 1.00 31.12 H new ATOM 0 HB ILE A 18 11.252 13.139 7.440 1.00 40.00 H new ATOM 0 HG12 ILE A 18 9.799 13.992 10.005 1.00 1.43 H new ATOM 0 HG13 ILE A 18 10.020 12.332 9.487 1.00 1.43 H new ATOM 0 HG21 ILE A 18 12.141 15.256 8.404 1.00 11.21 H new ATOM 0 HG22 ILE A 18 11.296 15.529 6.862 1.00 11.21 H new ATOM 0 HG23 ILE A 18 10.498 15.939 8.399 1.00 11.21 H new ATOM 0 HD11 ILE A 18 11.618 12.921 11.246 1.00 23.43 H new ATOM 0 HD12 ILE A 18 12.472 12.570 9.725 1.00 23.43 H new ATOM 0 HD13 ILE A 18 12.248 14.255 10.251 1.00 23.43 H new ATOM 301 N THR A 19 9.306 15.315 5.381 1.00 34.33 N ATOM 302 CA THR A 19 9.475 15.732 3.971 1.00 73.34 C ATOM 303 C THR A 19 10.877 15.363 3.415 1.00 42.24 C ATOM 304 O THR A 19 11.851 15.288 4.172 1.00 72.44 O ATOM 305 CB THR A 19 9.219 17.261 3.798 1.00 44.23 C ATOM 306 OG1 THR A 19 10.129 18.017 4.618 1.00 30.14 O ATOM 307 CG2 THR A 19 7.767 17.625 4.164 1.00 2.32 C ATOM 0 H THR A 19 9.209 16.092 6.035 1.00 34.33 H new ATOM 0 HA THR A 19 8.731 15.183 3.395 1.00 73.34 H new ATOM 0 HB THR A 19 9.386 17.511 2.750 1.00 44.23 H new ATOM 0 HG1 THR A 19 9.959 18.975 4.498 1.00 30.14 H new ATOM 0 HG21 THR A 19 7.617 18.697 4.034 1.00 2.32 H new ATOM 0 HG22 THR A 19 7.081 17.081 3.515 1.00 2.32 H new ATOM 0 HG23 THR A 19 7.575 17.355 5.202 1.00 2.32 H new ATOM 315 N SER A 20 10.928 15.096 2.084 1.00 54.22 N ATOM 316 CA SER A 20 12.149 14.681 1.328 1.00 30.44 C ATOM 317 C SER A 20 12.565 13.203 1.597 1.00 15.00 C ATOM 318 O SER A 20 13.549 12.718 1.023 1.00 14.12 O ATOM 319 CB SER A 20 13.342 15.658 1.574 1.00 40.21 C ATOM 320 OG SER A 20 14.453 15.365 0.743 1.00 41.12 O ATOM 0 H SER A 20 10.103 15.164 1.488 1.00 54.22 H new ATOM 0 HA SER A 20 11.879 14.738 0.274 1.00 30.44 H new ATOM 0 HB2 SER A 20 13.015 16.682 1.393 1.00 40.21 H new ATOM 0 HB3 SER A 20 13.647 15.601 2.619 1.00 40.21 H new ATOM 0 HG SER A 20 14.505 14.398 0.595 1.00 41.12 H new ATOM 326 N GLU A 21 11.789 12.479 2.436 1.00 51.13 N ATOM 327 CA GLU A 21 12.060 11.058 2.781 1.00 25.34 C ATOM 328 C GLU A 21 11.445 10.080 1.755 1.00 1.30 C ATOM 329 O GLU A 21 10.610 10.462 0.936 1.00 34.02 O ATOM 330 CB GLU A 21 11.533 10.743 4.210 1.00 31.54 C ATOM 331 CG GLU A 21 12.316 11.426 5.350 1.00 65.13 C ATOM 332 CD GLU A 21 13.778 10.955 5.434 1.00 74.11 C ATOM 333 OE1 GLU A 21 14.014 9.808 5.876 1.00 3.13 O ATOM 334 OE2 GLU A 21 14.697 11.718 5.056 1.00 65.44 O ATOM 0 H GLU A 21 10.960 12.858 2.893 1.00 51.13 H new ATOM 0 HA GLU A 21 13.140 10.917 2.754 1.00 25.34 H new ATOM 0 HB2 GLU A 21 10.488 11.047 4.272 1.00 31.54 H new ATOM 0 HB3 GLU A 21 11.561 9.664 4.363 1.00 31.54 H new ATOM 0 HG2 GLU A 21 12.295 12.506 5.203 1.00 65.13 H new ATOM 0 HG3 GLU A 21 11.819 11.223 6.299 1.00 65.13 H new ATOM 341 N CYS A 22 11.888 8.809 1.817 1.00 34.53 N ATOM 342 CA CYS A 22 11.374 7.718 0.958 1.00 73.54 C ATOM 343 C CYS A 22 10.371 6.826 1.737 1.00 43.33 C ATOM 344 O CYS A 22 10.777 5.950 2.510 1.00 31.42 O ATOM 345 CB CYS A 22 12.549 6.876 0.408 1.00 44.02 C ATOM 346 SG CYS A 22 13.708 7.802 -0.628 1.00 12.21 S ATOM 0 H CYS A 22 12.615 8.507 2.466 1.00 34.53 H new ATOM 0 HA CYS A 22 10.841 8.161 0.117 1.00 73.54 H new ATOM 0 HB2 CYS A 22 13.095 6.444 1.247 1.00 44.02 H new ATOM 0 HB3 CYS A 22 12.146 6.046 -0.171 1.00 44.02 H new ATOM 0 HG CYS A 22 13.186 8.950 -0.944 1.00 12.21 H new ATOM 352 N VAL A 23 9.060 7.069 1.534 1.00 20.44 N ATOM 353 CA VAL A 23 7.966 6.323 2.217 1.00 63.22 C ATOM 354 C VAL A 23 7.422 5.189 1.310 1.00 13.44 C ATOM 355 O VAL A 23 6.918 5.451 0.217 1.00 42.21 O ATOM 356 CB VAL A 23 6.799 7.306 2.627 1.00 24.41 C ATOM 357 CG1 VAL A 23 5.597 6.558 3.259 1.00 72.51 C ATOM 358 CG2 VAL A 23 7.329 8.397 3.588 1.00 71.13 C ATOM 0 H VAL A 23 8.723 7.787 0.893 1.00 20.44 H new ATOM 0 HA VAL A 23 8.375 5.872 3.121 1.00 63.22 H new ATOM 0 HB VAL A 23 6.436 7.780 1.715 1.00 24.41 H new ATOM 0 HG11 VAL A 23 4.821 7.276 3.524 1.00 72.51 H new ATOM 0 HG12 VAL A 23 5.198 5.840 2.543 1.00 72.51 H new ATOM 0 HG13 VAL A 23 5.926 6.032 4.155 1.00 72.51 H new ATOM 0 HG21 VAL A 23 6.514 9.067 3.862 1.00 71.13 H new ATOM 0 HG22 VAL A 23 7.730 7.927 4.486 1.00 71.13 H new ATOM 0 HG23 VAL A 23 8.116 8.966 3.094 1.00 71.13 H new ATOM 368 N MET A 24 7.542 3.923 1.776 1.00 55.55 N ATOM 369 CA MET A 24 7.088 2.725 1.019 1.00 73.35 C ATOM 370 C MET A 24 5.897 2.030 1.735 1.00 54.43 C ATOM 371 O MET A 24 6.084 1.309 2.720 1.00 71.32 O ATOM 372 CB MET A 24 8.273 1.729 0.840 1.00 74.42 C ATOM 373 CG MET A 24 9.523 2.334 0.179 1.00 23.43 C ATOM 374 SD MET A 24 10.844 1.126 -0.071 1.00 62.45 S ATOM 375 CE MET A 24 10.096 -0.015 -1.237 1.00 73.45 C ATOM 0 H MET A 24 7.954 3.701 2.682 1.00 55.55 H new ATOM 0 HA MET A 24 6.744 3.048 0.037 1.00 73.35 H new ATOM 0 HB2 MET A 24 8.550 1.335 1.818 1.00 74.42 H new ATOM 0 HB3 MET A 24 7.933 0.885 0.240 1.00 74.42 H new ATOM 0 HG2 MET A 24 9.246 2.765 -0.783 1.00 23.43 H new ATOM 0 HG3 MET A 24 9.896 3.149 0.799 1.00 23.43 H new ATOM 0 HE1 MET A 24 10.872 -0.632 -1.690 1.00 73.45 H new ATOM 0 HE2 MET A 24 9.383 -0.653 -0.715 1.00 73.45 H new ATOM 0 HE3 MET A 24 9.578 0.547 -2.015 1.00 73.45 H new ATOM 385 N LEU A 25 4.675 2.290 1.246 1.00 64.32 N ATOM 386 CA LEU A 25 3.429 1.680 1.772 1.00 40.20 C ATOM 387 C LEU A 25 3.157 0.321 1.082 1.00 24.42 C ATOM 388 O LEU A 25 2.655 0.290 -0.039 1.00 63.12 O ATOM 389 CB LEU A 25 2.252 2.664 1.537 1.00 13.25 C ATOM 390 CG LEU A 25 2.480 4.116 2.068 1.00 11.31 C ATOM 391 CD1 LEU A 25 1.304 5.041 1.703 1.00 62.23 C ATOM 392 CD2 LEU A 25 2.756 4.126 3.593 1.00 2.03 C ATOM 0 H LEU A 25 4.515 2.932 0.470 1.00 64.32 H new ATOM 0 HA LEU A 25 3.535 1.492 2.840 1.00 40.20 H new ATOM 0 HB2 LEU A 25 2.049 2.714 0.467 1.00 13.25 H new ATOM 0 HB3 LEU A 25 1.359 2.257 2.012 1.00 13.25 H new ATOM 0 HG LEU A 25 3.369 4.507 1.573 1.00 11.31 H new ATOM 0 HD11 LEU A 25 1.496 6.043 2.088 1.00 62.23 H new ATOM 0 HD12 LEU A 25 1.197 5.083 0.619 1.00 62.23 H new ATOM 0 HD13 LEU A 25 0.386 4.653 2.143 1.00 62.23 H new ATOM 0 HD21 LEU A 25 2.910 5.152 3.928 1.00 2.03 H new ATOM 0 HD22 LEU A 25 1.904 3.696 4.120 1.00 2.03 H new ATOM 0 HD23 LEU A 25 3.648 3.537 3.805 1.00 2.03 H new ATOM 404 N ALA A 26 3.504 -0.795 1.752 1.00 42.10 N ATOM 405 CA ALA A 26 3.412 -2.159 1.164 1.00 14.30 C ATOM 406 C ALA A 26 2.157 -2.917 1.665 1.00 51.51 C ATOM 407 O ALA A 26 1.954 -3.059 2.876 1.00 25.31 O ATOM 408 CB ALA A 26 4.692 -2.954 1.480 1.00 11.50 C ATOM 0 H ALA A 26 3.854 -0.785 2.710 1.00 42.10 H new ATOM 0 HA ALA A 26 3.315 -2.055 0.083 1.00 14.30 H new ATOM 0 HB1 ALA A 26 4.617 -3.951 1.046 1.00 11.50 H new ATOM 0 HB2 ALA A 26 5.554 -2.438 1.057 1.00 11.50 H new ATOM 0 HB3 ALA A 26 4.812 -3.036 2.560 1.00 11.50 H new ATOM 414 N CYS A 27 1.339 -3.412 0.713 1.00 21.53 N ATOM 415 CA CYS A 27 0.097 -4.174 0.992 1.00 12.14 C ATOM 416 C CYS A 27 0.027 -5.458 0.131 1.00 21.13 C ATOM 417 O CYS A 27 0.227 -5.403 -1.088 1.00 44.24 O ATOM 418 CB CYS A 27 -1.150 -3.299 0.724 1.00 73.01 C ATOM 419 SG CYS A 27 -2.724 -4.137 1.033 1.00 21.01 S ATOM 0 H CYS A 27 1.522 -3.294 -0.284 1.00 21.53 H new ATOM 0 HA CYS A 27 0.113 -4.460 2.044 1.00 12.14 H new ATOM 0 HB2 CYS A 27 -1.096 -2.408 1.350 1.00 73.01 H new ATOM 0 HB3 CYS A 27 -1.128 -2.962 -0.312 1.00 73.01 H new ATOM 0 HG CYS A 27 -3.636 -3.651 0.245 1.00 21.01 H new ATOM 425 N GLU A 28 -0.256 -6.614 0.776 1.00 33.52 N ATOM 426 CA GLU A 28 -0.441 -7.914 0.081 1.00 32.11 C ATOM 427 C GLU A 28 -1.818 -8.534 0.392 1.00 21.43 C ATOM 428 O GLU A 28 -2.224 -8.640 1.555 1.00 32.32 O ATOM 429 CB GLU A 28 0.688 -8.921 0.433 1.00 73.33 C ATOM 430 CG GLU A 28 2.047 -8.600 -0.219 1.00 33.24 C ATOM 431 CD GLU A 28 3.119 -9.658 0.076 1.00 53.20 C ATOM 432 OE1 GLU A 28 2.999 -10.788 -0.441 1.00 32.21 O ATOM 433 OE2 GLU A 28 4.079 -9.374 0.823 1.00 44.42 O ATOM 0 H GLU A 28 -0.363 -6.674 1.789 1.00 33.52 H new ATOM 0 HA GLU A 28 -0.391 -7.705 -0.988 1.00 32.11 H new ATOM 0 HB2 GLU A 28 0.814 -8.945 1.515 1.00 73.33 H new ATOM 0 HB3 GLU A 28 0.377 -9.920 0.126 1.00 73.33 H new ATOM 0 HG2 GLU A 28 1.915 -8.515 -1.298 1.00 33.24 H new ATOM 0 HG3 GLU A 28 2.394 -7.630 0.137 1.00 33.24 H new ATOM 440 N VAL A 29 -2.508 -8.956 -0.676 1.00 41.34 N ATOM 441 CA VAL A 29 -3.842 -9.588 -0.607 1.00 34.11 C ATOM 442 C VAL A 29 -3.744 -11.136 -0.619 1.00 54.25 C ATOM 443 O VAL A 29 -2.641 -11.693 -0.658 1.00 3.03 O ATOM 444 CB VAL A 29 -4.724 -9.087 -1.806 1.00 75.02 C ATOM 445 CG1 VAL A 29 -4.970 -7.566 -1.708 1.00 22.41 C ATOM 446 CG2 VAL A 29 -4.080 -9.459 -3.170 1.00 13.24 C ATOM 0 H VAL A 29 -2.154 -8.869 -1.629 1.00 41.34 H new ATOM 0 HA VAL A 29 -4.308 -9.299 0.335 1.00 34.11 H new ATOM 0 HB VAL A 29 -5.689 -9.591 -1.746 1.00 75.02 H new ATOM 0 HG11 VAL A 29 -5.583 -7.242 -2.549 1.00 22.41 H new ATOM 0 HG12 VAL A 29 -5.486 -7.340 -0.775 1.00 22.41 H new ATOM 0 HG13 VAL A 29 -4.015 -7.041 -1.731 1.00 22.41 H new ATOM 0 HG21 VAL A 29 -4.713 -9.099 -3.981 1.00 13.24 H new ATOM 0 HG22 VAL A 29 -3.096 -8.997 -3.246 1.00 13.24 H new ATOM 0 HG23 VAL A 29 -3.979 -10.542 -3.241 1.00 13.24 H new ATOM 456 N ASP A 30 -4.903 -11.825 -0.586 1.00 33.42 N ATOM 457 CA ASP A 30 -4.956 -13.305 -0.590 1.00 5.21 C ATOM 458 C ASP A 30 -4.984 -13.874 -2.030 1.00 75.12 C ATOM 459 O ASP A 30 -4.511 -14.988 -2.266 1.00 43.34 O ATOM 460 CB ASP A 30 -6.175 -13.812 0.241 1.00 3.11 C ATOM 461 CG ASP A 30 -7.558 -13.596 -0.415 1.00 32.14 C ATOM 462 OD1 ASP A 30 -7.798 -12.517 -0.981 1.00 12.04 O ATOM 463 OD2 ASP A 30 -8.406 -14.520 -0.374 1.00 35.31 O ATOM 0 H ASP A 30 -5.820 -11.379 -0.556 1.00 33.42 H new ATOM 0 HA ASP A 30 -4.044 -13.672 -0.119 1.00 5.21 H new ATOM 0 HB2 ASP A 30 -6.045 -14.877 0.433 1.00 3.11 H new ATOM 0 HB3 ASP A 30 -6.168 -13.310 1.209 1.00 3.11 H new ATOM 468 N ARG A 31 -5.537 -13.094 -2.989 1.00 31.12 N ATOM 469 CA ARG A 31 -5.666 -13.514 -4.410 1.00 24.41 C ATOM 470 C ARG A 31 -4.818 -12.632 -5.352 1.00 13.13 C ATOM 471 O ARG A 31 -5.098 -11.440 -5.528 1.00 5.45 O ATOM 472 CB ARG A 31 -7.154 -13.506 -4.874 1.00 22.53 C ATOM 473 CG ARG A 31 -8.050 -14.472 -4.075 1.00 24.34 C ATOM 474 CD ARG A 31 -9.437 -14.699 -4.702 1.00 52.14 C ATOM 475 NE ARG A 31 -10.293 -13.499 -4.662 1.00 2.25 N ATOM 476 CZ ARG A 31 -10.849 -12.909 -5.700 1.00 4.04 C ATOM 477 NH1 ARG A 31 -10.588 -13.269 -6.918 1.00 52.11 N ATOM 478 NH2 ARG A 31 -11.666 -11.937 -5.504 1.00 62.01 N ATOM 0 H ARG A 31 -5.905 -12.161 -2.804 1.00 31.12 H new ATOM 0 HA ARG A 31 -5.287 -14.534 -4.467 1.00 24.41 H new ATOM 0 HB2 ARG A 31 -7.550 -12.495 -4.782 1.00 22.53 H new ATOM 0 HB3 ARG A 31 -7.199 -13.771 -5.930 1.00 22.53 H new ATOM 0 HG2 ARG A 31 -7.542 -15.432 -3.984 1.00 24.34 H new ATOM 0 HG3 ARG A 31 -8.178 -14.082 -3.065 1.00 24.34 H new ATOM 0 HD2 ARG A 31 -9.314 -15.016 -5.738 1.00 52.14 H new ATOM 0 HD3 ARG A 31 -9.938 -15.513 -4.177 1.00 52.14 H new ATOM 0 HE ARG A 31 -10.471 -13.088 -3.746 1.00 2.25 H new ATOM 0 HH11 ARG A 31 -9.934 -14.031 -7.095 1.00 52.11 H new ATOM 0 HH12 ARG A 31 -11.037 -12.790 -7.699 1.00 52.11 H new ATOM 0 HH21 ARG A 31 -11.877 -11.632 -4.554 1.00 62.01 H new ATOM 0 HH22 ARG A 31 -12.104 -11.471 -6.299 1.00 62.01 H new ATOM 492 N GLU A 32 -3.800 -13.258 -5.980 1.00 65.32 N ATOM 493 CA GLU A 32 -2.924 -12.625 -7.001 1.00 2.44 C ATOM 494 C GLU A 32 -3.736 -12.084 -8.216 1.00 63.44 C ATOM 495 O GLU A 32 -3.340 -11.101 -8.856 1.00 32.30 O ATOM 496 CB GLU A 32 -1.865 -13.671 -7.461 1.00 12.34 C ATOM 497 CG GLU A 32 -0.947 -13.219 -8.614 1.00 4.02 C ATOM 498 CD GLU A 32 0.174 -14.219 -8.933 1.00 33.20 C ATOM 499 OE1 GLU A 32 -0.045 -15.144 -9.747 1.00 21.24 O ATOM 500 OE2 GLU A 32 1.275 -14.101 -8.357 1.00 21.45 O ATOM 0 H GLU A 32 -3.556 -14.231 -5.793 1.00 65.32 H new ATOM 0 HA GLU A 32 -2.429 -11.763 -6.555 1.00 2.44 H new ATOM 0 HB2 GLU A 32 -1.243 -13.933 -6.605 1.00 12.34 H new ATOM 0 HB3 GLU A 32 -2.385 -14.579 -7.767 1.00 12.34 H new ATOM 0 HG2 GLU A 32 -1.550 -13.064 -9.509 1.00 4.02 H new ATOM 0 HG3 GLU A 32 -0.503 -12.257 -8.358 1.00 4.02 H new ATOM 507 N ASP A 33 -4.886 -12.735 -8.483 1.00 61.12 N ATOM 508 CA ASP A 33 -5.802 -12.404 -9.606 1.00 23.42 C ATOM 509 C ASP A 33 -6.267 -10.927 -9.593 1.00 42.45 C ATOM 510 O ASP A 33 -6.473 -10.317 -10.645 1.00 23.03 O ATOM 511 CB ASP A 33 -7.059 -13.308 -9.526 1.00 11.45 C ATOM 512 CG ASP A 33 -6.722 -14.792 -9.342 1.00 12.10 C ATOM 513 OD1 ASP A 33 -6.501 -15.493 -10.350 1.00 61.51 O ATOM 514 OD2 ASP A 33 -6.662 -15.253 -8.186 1.00 12.52 O ATOM 0 H ASP A 33 -5.214 -13.519 -7.919 1.00 61.12 H new ATOM 0 HA ASP A 33 -5.243 -12.571 -10.527 1.00 23.42 H new ATOM 0 HB2 ASP A 33 -7.684 -12.978 -8.696 1.00 11.45 H new ATOM 0 HB3 ASP A 33 -7.646 -13.185 -10.436 1.00 11.45 H new ATOM 519 N ALA A 34 -6.421 -10.376 -8.381 1.00 42.12 N ATOM 520 CA ALA A 34 -7.086 -9.084 -8.147 1.00 75.20 C ATOM 521 C ALA A 34 -6.078 -7.940 -7.832 1.00 5.44 C ATOM 522 O ALA A 34 -5.452 -7.942 -6.764 1.00 3.33 O ATOM 523 CB ALA A 34 -8.090 -9.266 -7.006 1.00 62.04 C ATOM 0 H ALA A 34 -6.084 -10.818 -7.526 1.00 42.12 H new ATOM 0 HA ALA A 34 -7.599 -8.781 -9.060 1.00 75.20 H new ATOM 0 HB1 ALA A 34 -8.597 -8.321 -6.813 1.00 62.04 H new ATOM 0 HB2 ALA A 34 -8.825 -10.021 -7.285 1.00 62.04 H new ATOM 0 HB3 ALA A 34 -7.564 -9.586 -6.106 1.00 62.04 H new ATOM 529 N PRO A 35 -5.891 -6.956 -8.781 1.00 53.21 N ATOM 530 CA PRO A 35 -5.138 -5.696 -8.508 1.00 35.54 C ATOM 531 C PRO A 35 -5.882 -4.765 -7.513 1.00 51.32 C ATOM 532 O PRO A 35 -7.102 -4.589 -7.630 1.00 44.31 O ATOM 533 CB PRO A 35 -5.035 -5.020 -9.914 1.00 34.52 C ATOM 534 CG PRO A 35 -5.337 -6.115 -10.893 1.00 73.24 C ATOM 535 CD PRO A 35 -6.340 -7.005 -10.198 1.00 70.35 C ATOM 0 HA PRO A 35 -4.172 -5.894 -8.044 1.00 35.54 H new ATOM 0 HB2 PRO A 35 -5.744 -4.198 -10.010 1.00 34.52 H new ATOM 0 HB3 PRO A 35 -4.041 -4.604 -10.081 1.00 34.52 H new ATOM 0 HG2 PRO A 35 -5.745 -5.712 -11.820 1.00 73.24 H new ATOM 0 HG3 PRO A 35 -4.435 -6.668 -11.155 1.00 73.24 H new ATOM 0 HD2 PRO A 35 -7.359 -6.635 -10.313 1.00 70.35 H new ATOM 0 HD3 PRO A 35 -6.323 -8.021 -10.594 1.00 70.35 H new ATOM 543 N VAL A 36 -5.153 -4.163 -6.545 1.00 71.10 N ATOM 544 CA VAL A 36 -5.762 -3.202 -5.589 1.00 50.21 C ATOM 545 C VAL A 36 -5.957 -1.808 -6.240 1.00 73.33 C ATOM 546 O VAL A 36 -5.287 -1.453 -7.218 1.00 34.12 O ATOM 547 CB VAL A 36 -4.931 -3.054 -4.251 1.00 43.04 C ATOM 548 CG1 VAL A 36 -4.627 -4.436 -3.623 1.00 65.14 C ATOM 549 CG2 VAL A 36 -3.633 -2.227 -4.452 1.00 34.32 C ATOM 0 H VAL A 36 -4.155 -4.321 -6.404 1.00 71.10 H new ATOM 0 HA VAL A 36 -6.735 -3.618 -5.328 1.00 50.21 H new ATOM 0 HB VAL A 36 -5.554 -2.497 -3.551 1.00 43.04 H new ATOM 0 HG11 VAL A 36 -4.055 -4.301 -2.705 1.00 65.14 H new ATOM 0 HG12 VAL A 36 -5.563 -4.946 -3.395 1.00 65.14 H new ATOM 0 HG13 VAL A 36 -4.049 -5.036 -4.326 1.00 65.14 H new ATOM 0 HG21 VAL A 36 -3.098 -2.154 -3.505 1.00 34.32 H new ATOM 0 HG22 VAL A 36 -2.999 -2.718 -5.190 1.00 34.32 H new ATOM 0 HG23 VAL A 36 -3.889 -1.227 -4.802 1.00 34.32 H new ATOM 559 N ARG A 37 -6.887 -1.040 -5.670 1.00 71.24 N ATOM 560 CA ARG A 37 -7.210 0.334 -6.093 1.00 42.24 C ATOM 561 C ARG A 37 -6.655 1.328 -5.046 1.00 60.24 C ATOM 562 O ARG A 37 -7.139 1.362 -3.911 1.00 0.54 O ATOM 563 CB ARG A 37 -8.760 0.452 -6.222 1.00 0.10 C ATOM 564 CG ARG A 37 -9.409 -0.496 -7.273 1.00 65.21 C ATOM 565 CD ARG A 37 -9.492 0.124 -8.688 1.00 62.25 C ATOM 566 NE ARG A 37 -10.530 1.172 -8.761 1.00 63.31 N ATOM 567 CZ ARG A 37 -10.563 2.181 -9.609 1.00 41.31 C ATOM 568 NH1 ARG A 37 -9.598 2.405 -10.446 1.00 74.51 N ATOM 569 NH2 ARG A 37 -11.572 2.982 -9.589 1.00 1.40 N ATOM 0 H ARG A 37 -7.452 -1.358 -4.883 1.00 71.24 H new ATOM 0 HA ARG A 37 -6.756 0.568 -7.056 1.00 42.24 H new ATOM 0 HB2 ARG A 37 -9.207 0.250 -5.248 1.00 0.10 H new ATOM 0 HB3 ARG A 37 -9.010 1.481 -6.480 1.00 0.10 H new ATOM 0 HG2 ARG A 37 -8.834 -1.421 -7.322 1.00 65.21 H new ATOM 0 HG3 ARG A 37 -10.413 -0.762 -6.941 1.00 65.21 H new ATOM 0 HD2 ARG A 37 -8.525 0.549 -8.957 1.00 62.25 H new ATOM 0 HD3 ARG A 37 -9.711 -0.657 -9.416 1.00 62.25 H new ATOM 0 HE ARG A 37 -11.296 1.109 -8.090 1.00 63.31 H new ATOM 0 HH11 ARG A 37 -8.783 1.792 -10.461 1.00 74.51 H new ATOM 0 HH12 ARG A 37 -9.654 3.194 -11.089 1.00 74.51 H new ATOM 0 HH21 ARG A 37 -12.330 2.831 -8.924 1.00 1.40 H new ATOM 0 HH22 ARG A 37 -11.613 3.767 -10.239 1.00 1.40 H new ATOM 583 N TRP A 38 -5.632 2.127 -5.418 1.00 71.12 N ATOM 584 CA TRP A 38 -4.972 3.064 -4.474 1.00 42.44 C ATOM 585 C TRP A 38 -5.734 4.406 -4.413 1.00 32.52 C ATOM 586 O TRP A 38 -5.937 5.065 -5.432 1.00 34.35 O ATOM 587 CB TRP A 38 -3.484 3.322 -4.850 1.00 31.45 C ATOM 588 CG TRP A 38 -2.542 2.183 -4.520 1.00 41.31 C ATOM 589 CD1 TRP A 38 -2.156 1.156 -5.338 1.00 41.31 C ATOM 590 CD2 TRP A 38 -1.863 1.969 -3.271 1.00 72.24 C ATOM 591 NE1 TRP A 38 -1.270 0.336 -4.681 1.00 74.04 N ATOM 592 CE2 TRP A 38 -1.076 0.811 -3.411 1.00 43.25 C ATOM 593 CE3 TRP A 38 -1.840 2.653 -2.047 1.00 62.32 C ATOM 594 CZ2 TRP A 38 -0.279 0.321 -2.382 1.00 5.41 C ATOM 595 CZ3 TRP A 38 -1.048 2.167 -1.022 1.00 51.41 C ATOM 596 CH2 TRP A 38 -0.273 1.011 -1.197 1.00 52.15 C ATOM 0 H TRP A 38 -5.244 2.145 -6.361 1.00 71.12 H new ATOM 0 HA TRP A 38 -4.993 2.591 -3.492 1.00 42.44 H new ATOM 0 HB2 TRP A 38 -3.424 3.527 -5.919 1.00 31.45 H new ATOM 0 HB3 TRP A 38 -3.143 4.219 -4.333 1.00 31.45 H new ATOM 0 HD1 TRP A 38 -2.498 1.011 -6.352 1.00 41.31 H new ATOM 0 HE1 TRP A 38 -0.828 -0.494 -5.076 1.00 74.04 H new ATOM 0 HE3 TRP A 38 -2.432 3.546 -1.907 1.00 62.32 H new ATOM 0 HZ2 TRP A 38 0.315 -0.572 -2.512 1.00 5.41 H new ATOM 0 HZ3 TRP A 38 -1.026 2.685 -0.074 1.00 51.41 H new ATOM 0 HH2 TRP A 38 0.341 0.657 -0.382 1.00 52.15 H new ATOM 607 N TYR A 39 -6.173 4.768 -3.196 1.00 53.11 N ATOM 608 CA TYR A 39 -6.853 6.051 -2.892 1.00 35.31 C ATOM 609 C TYR A 39 -6.128 6.783 -1.753 1.00 62.25 C ATOM 610 O TYR A 39 -5.131 6.291 -1.220 1.00 12.33 O ATOM 611 CB TYR A 39 -8.337 5.798 -2.505 1.00 13.14 C ATOM 612 CG TYR A 39 -9.186 5.259 -3.663 1.00 1.43 C ATOM 613 CD1 TYR A 39 -9.718 6.125 -4.620 1.00 31.55 C ATOM 614 CD2 TYR A 39 -9.437 3.894 -3.813 1.00 23.31 C ATOM 615 CE1 TYR A 39 -10.466 5.651 -5.674 1.00 12.14 C ATOM 616 CE2 TYR A 39 -10.188 3.421 -4.872 1.00 65.22 C ATOM 617 CZ TYR A 39 -10.695 4.305 -5.795 1.00 11.14 C ATOM 618 OH TYR A 39 -11.439 3.841 -6.855 1.00 64.31 O ATOM 0 H TYR A 39 -6.066 4.170 -2.376 1.00 53.11 H new ATOM 0 HA TYR A 39 -6.825 6.677 -3.784 1.00 35.31 H new ATOM 0 HB2 TYR A 39 -8.373 5.089 -1.678 1.00 13.14 H new ATOM 0 HB3 TYR A 39 -8.775 6.729 -2.146 1.00 13.14 H new ATOM 0 HD1 TYR A 39 -9.539 7.186 -4.532 1.00 31.55 H new ATOM 0 HD2 TYR A 39 -9.038 3.197 -3.091 1.00 23.31 H new ATOM 0 HE1 TYR A 39 -10.871 6.337 -6.403 1.00 12.14 H new ATOM 0 HE2 TYR A 39 -10.376 2.362 -4.974 1.00 65.22 H new ATOM 0 HH TYR A 39 -11.511 2.865 -6.802 1.00 64.31 H new ATOM 628 N LYS A 40 -6.624 7.979 -1.409 1.00 24.44 N ATOM 629 CA LYS A 40 -6.167 8.723 -0.222 1.00 3.43 C ATOM 630 C LYS A 40 -7.390 9.333 0.514 1.00 31.51 C ATOM 631 O LYS A 40 -7.941 8.720 1.429 1.00 42.10 O ATOM 632 CB LYS A 40 -5.130 9.810 -0.613 1.00 62.41 C ATOM 633 CG LYS A 40 -4.468 10.530 0.593 1.00 33.14 C ATOM 634 CD LYS A 40 -3.808 11.866 0.188 1.00 53.54 C ATOM 635 CE LYS A 40 -3.121 12.571 1.370 1.00 43.14 C ATOM 636 NZ LYS A 40 -2.869 14.008 1.101 1.00 32.44 N ATOM 0 H LYS A 40 -7.350 8.458 -1.941 1.00 24.44 H new ATOM 0 HA LYS A 40 -5.665 8.036 0.459 1.00 3.43 H new ATOM 0 HB2 LYS A 40 -4.349 9.349 -1.218 1.00 62.41 H new ATOM 0 HB3 LYS A 40 -5.621 10.554 -1.240 1.00 62.41 H new ATOM 0 HG2 LYS A 40 -5.220 10.717 1.359 1.00 33.14 H new ATOM 0 HG3 LYS A 40 -3.717 9.876 1.036 1.00 33.14 H new ATOM 0 HD2 LYS A 40 -3.074 11.681 -0.596 1.00 53.54 H new ATOM 0 HD3 LYS A 40 -4.565 12.527 -0.234 1.00 53.54 H new ATOM 0 HE2 LYS A 40 -3.744 12.474 2.259 1.00 43.14 H new ATOM 0 HE3 LYS A 40 -2.176 12.073 1.587 1.00 43.14 H new ATOM 0 HZ1 LYS A 40 -2.915 14.541 1.993 1.00 32.44 H new ATOM 0 HZ2 LYS A 40 -1.926 14.122 0.677 1.00 32.44 H new ATOM 0 HZ3 LYS A 40 -3.589 14.370 0.444 1.00 32.44 H new ATOM 650 N ASP A 41 -7.840 10.519 0.074 1.00 32.43 N ATOM 651 CA ASP A 41 -9.014 11.198 0.647 1.00 14.41 C ATOM 652 C ASP A 41 -10.003 11.543 -0.490 1.00 2.11 C ATOM 653 O ASP A 41 -9.947 12.626 -1.080 1.00 64.43 O ATOM 654 CB ASP A 41 -8.564 12.456 1.441 1.00 44.21 C ATOM 655 CG ASP A 41 -9.686 13.054 2.301 1.00 74.24 C ATOM 656 OD1 ASP A 41 -9.960 12.505 3.391 1.00 0.53 O ATOM 657 OD2 ASP A 41 -10.312 14.059 1.892 1.00 63.43 O ATOM 0 H ASP A 41 -7.401 11.034 -0.689 1.00 32.43 H new ATOM 0 HA ASP A 41 -9.527 10.543 1.351 1.00 14.41 H new ATOM 0 HB2 ASP A 41 -7.723 12.193 2.082 1.00 44.21 H new ATOM 0 HB3 ASP A 41 -8.207 13.212 0.742 1.00 44.21 H new ATOM 662 N GLY A 42 -10.869 10.567 -0.821 1.00 21.14 N ATOM 663 CA GLY A 42 -11.837 10.690 -1.925 1.00 74.51 C ATOM 664 C GLY A 42 -11.235 10.348 -3.305 1.00 61.50 C ATOM 665 O GLY A 42 -11.779 9.517 -4.045 1.00 3.52 O ATOM 0 H GLY A 42 -10.917 9.673 -0.331 1.00 21.14 H new ATOM 0 HA2 GLY A 42 -12.684 10.031 -1.732 1.00 74.51 H new ATOM 0 HA3 GLY A 42 -12.225 11.709 -1.948 1.00 74.51 H new ATOM 669 N GLN A 43 -10.101 10.998 -3.644 1.00 3.05 N ATOM 670 CA GLN A 43 -9.423 10.835 -4.957 1.00 30.12 C ATOM 671 C GLN A 43 -8.435 9.647 -4.927 1.00 1.42 C ATOM 672 O GLN A 43 -7.927 9.268 -3.862 1.00 24.54 O ATOM 673 CB GLN A 43 -8.649 12.130 -5.371 1.00 62.31 C ATOM 674 CG GLN A 43 -9.489 13.420 -5.543 1.00 15.12 C ATOM 675 CD GLN A 43 -9.958 14.047 -4.223 1.00 71.22 C ATOM 676 OE1 GLN A 43 -9.252 14.844 -3.612 1.00 71.13 O ATOM 677 NE2 GLN A 43 -11.156 13.720 -3.783 1.00 74.11 N ATOM 0 H GLN A 43 -9.627 11.650 -3.019 1.00 3.05 H new ATOM 0 HA GLN A 43 -10.204 10.641 -5.692 1.00 30.12 H new ATOM 0 HB2 GLN A 43 -7.882 12.322 -4.621 1.00 62.31 H new ATOM 0 HB3 GLN A 43 -8.134 11.932 -6.311 1.00 62.31 H new ATOM 0 HG2 GLN A 43 -8.898 14.154 -6.091 1.00 15.12 H new ATOM 0 HG3 GLN A 43 -10.362 13.193 -6.154 1.00 15.12 H new ATOM 0 HE21 GLN A 43 -11.727 13.056 -4.305 1.00 74.11 H new ATOM 0 HE22 GLN A 43 -11.512 14.131 -2.920 1.00 74.11 H new ATOM 686 N GLU A 44 -8.163 9.081 -6.115 1.00 1.03 N ATOM 687 CA GLU A 44 -7.155 8.011 -6.294 1.00 35.35 C ATOM 688 C GLU A 44 -5.719 8.582 -6.298 1.00 20.02 C ATOM 689 O GLU A 44 -5.513 9.801 -6.372 1.00 34.44 O ATOM 690 CB GLU A 44 -7.413 7.196 -7.605 1.00 14.14 C ATOM 691 CG GLU A 44 -7.168 7.942 -8.944 1.00 55.54 C ATOM 692 CD GLU A 44 -8.194 9.049 -9.245 1.00 72.23 C ATOM 693 OE1 GLU A 44 -9.303 8.725 -9.720 1.00 64.43 O ATOM 694 OE2 GLU A 44 -7.914 10.241 -8.966 1.00 32.01 O ATOM 0 H GLU A 44 -8.633 9.349 -6.980 1.00 1.03 H new ATOM 0 HA GLU A 44 -7.254 7.336 -5.444 1.00 35.35 H new ATOM 0 HB2 GLU A 44 -6.778 6.310 -7.587 1.00 14.14 H new ATOM 0 HB3 GLU A 44 -8.446 6.848 -7.593 1.00 14.14 H new ATOM 0 HG2 GLU A 44 -6.171 8.382 -8.925 1.00 55.54 H new ATOM 0 HG3 GLU A 44 -7.182 7.218 -9.759 1.00 55.54 H new ATOM 701 N VAL A 45 -4.729 7.684 -6.177 1.00 14.42 N ATOM 702 CA VAL A 45 -3.298 8.030 -6.290 1.00 51.45 C ATOM 703 C VAL A 45 -2.672 7.237 -7.461 1.00 42.32 C ATOM 704 O VAL A 45 -2.482 6.022 -7.365 1.00 64.00 O ATOM 705 CB VAL A 45 -2.513 7.740 -4.955 1.00 21.44 C ATOM 706 CG1 VAL A 45 -1.057 8.265 -5.038 1.00 40.14 C ATOM 707 CG2 VAL A 45 -3.253 8.329 -3.729 1.00 11.21 C ATOM 0 H VAL A 45 -4.896 6.694 -5.997 1.00 14.42 H new ATOM 0 HA VAL A 45 -3.222 9.100 -6.482 1.00 51.45 H new ATOM 0 HB VAL A 45 -2.469 6.659 -4.824 1.00 21.44 H new ATOM 0 HG11 VAL A 45 -0.539 8.051 -4.103 1.00 40.14 H new ATOM 0 HG12 VAL A 45 -0.539 7.772 -5.861 1.00 40.14 H new ATOM 0 HG13 VAL A 45 -1.068 9.341 -5.209 1.00 40.14 H new ATOM 0 HG21 VAL A 45 -2.686 8.112 -2.823 1.00 11.21 H new ATOM 0 HG22 VAL A 45 -3.350 9.408 -3.847 1.00 11.21 H new ATOM 0 HG23 VAL A 45 -4.244 7.882 -3.653 1.00 11.21 H new ATOM 717 N GLU A 46 -2.394 7.940 -8.573 1.00 64.05 N ATOM 718 CA GLU A 46 -1.770 7.356 -9.786 1.00 2.24 C ATOM 719 C GLU A 46 -0.303 7.828 -9.908 1.00 31.32 C ATOM 720 O GLU A 46 0.127 8.737 -9.179 1.00 20.11 O ATOM 721 CB GLU A 46 -2.592 7.766 -11.043 1.00 14.14 C ATOM 722 CG GLU A 46 -4.067 7.306 -11.006 1.00 51.33 C ATOM 723 CD GLU A 46 -4.905 7.852 -12.176 1.00 52.51 C ATOM 724 OE1 GLU A 46 -5.353 9.018 -12.104 1.00 23.20 O ATOM 725 OE2 GLU A 46 -5.111 7.130 -13.178 1.00 14.45 O ATOM 0 H GLU A 46 -2.595 8.936 -8.662 1.00 64.05 H new ATOM 0 HA GLU A 46 -1.771 6.269 -9.708 1.00 2.24 H new ATOM 0 HB2 GLU A 46 -2.563 8.851 -11.146 1.00 14.14 H new ATOM 0 HB3 GLU A 46 -2.114 7.349 -11.929 1.00 14.14 H new ATOM 0 HG2 GLU A 46 -4.101 6.217 -11.021 1.00 51.33 H new ATOM 0 HG3 GLU A 46 -4.517 7.626 -10.066 1.00 51.33 H new ATOM 732 N GLU A 47 0.458 7.212 -10.832 1.00 73.23 N ATOM 733 CA GLU A 47 1.879 7.554 -11.053 1.00 64.54 C ATOM 734 C GLU A 47 2.029 8.982 -11.647 1.00 71.42 C ATOM 735 O GLU A 47 1.420 9.300 -12.675 1.00 13.44 O ATOM 736 CB GLU A 47 2.549 6.488 -11.956 1.00 51.24 C ATOM 737 CG GLU A 47 2.530 5.064 -11.349 1.00 73.42 C ATOM 738 CD GLU A 47 3.439 4.069 -12.086 1.00 32.15 C ATOM 739 OE1 GLU A 47 2.988 3.436 -13.064 1.00 52.12 O ATOM 740 OE2 GLU A 47 4.623 3.932 -11.693 1.00 22.13 O ATOM 0 H GLU A 47 0.112 6.471 -11.441 1.00 73.23 H new ATOM 0 HA GLU A 47 2.390 7.554 -10.090 1.00 64.54 H new ATOM 0 HB2 GLU A 47 2.042 6.470 -12.921 1.00 51.24 H new ATOM 0 HB3 GLU A 47 3.582 6.780 -12.144 1.00 51.24 H new ATOM 0 HG2 GLU A 47 2.837 5.119 -10.305 1.00 73.42 H new ATOM 0 HG3 GLU A 47 1.507 4.687 -11.361 1.00 73.42 H new ATOM 747 N SER A 48 2.861 9.820 -10.992 1.00 45.54 N ATOM 748 CA SER A 48 2.923 11.286 -11.259 1.00 34.15 C ATOM 749 C SER A 48 4.330 11.845 -10.937 1.00 15.22 C ATOM 750 O SER A 48 5.325 11.123 -11.094 1.00 4.55 O ATOM 751 CB SER A 48 1.832 11.983 -10.399 1.00 62.32 C ATOM 752 OG SER A 48 1.621 13.333 -10.813 1.00 71.53 O ATOM 0 H SER A 48 3.507 9.509 -10.267 1.00 45.54 H new ATOM 0 HA SER A 48 2.737 11.481 -12.315 1.00 34.15 H new ATOM 0 HB2 SER A 48 0.897 11.428 -10.476 1.00 62.32 H new ATOM 0 HB3 SER A 48 2.128 11.965 -9.350 1.00 62.32 H new ATOM 0 HG SER A 48 2.068 13.486 -11.671 1.00 71.53 H new ATOM 758 N ASP A 49 4.404 13.143 -10.529 1.00 61.21 N ATOM 759 CA ASP A 49 5.646 13.791 -10.053 1.00 53.21 C ATOM 760 C ASP A 49 6.219 13.045 -8.819 1.00 11.43 C ATOM 761 O ASP A 49 5.812 13.296 -7.674 1.00 51.52 O ATOM 762 CB ASP A 49 5.385 15.282 -9.712 1.00 21.41 C ATOM 763 CG ASP A 49 4.597 16.017 -10.804 1.00 35.44 C ATOM 764 OD1 ASP A 49 5.139 16.231 -11.906 1.00 15.30 O ATOM 765 OD2 ASP A 49 3.421 16.372 -10.566 1.00 34.45 O ATOM 0 H ASP A 49 3.597 13.766 -10.524 1.00 61.21 H new ATOM 0 HA ASP A 49 6.384 13.742 -10.854 1.00 53.21 H new ATOM 0 HB2 ASP A 49 4.837 15.344 -8.772 1.00 21.41 H new ATOM 0 HB3 ASP A 49 6.339 15.786 -9.558 1.00 21.41 H new ATOM 770 N PHE A 50 7.057 12.033 -9.120 1.00 22.41 N ATOM 771 CA PHE A 50 7.837 11.211 -8.147 1.00 30.44 C ATOM 772 C PHE A 50 7.013 10.018 -7.608 1.00 42.20 C ATOM 773 O PHE A 50 7.589 9.034 -7.135 1.00 11.12 O ATOM 774 CB PHE A 50 8.456 12.038 -6.967 1.00 11.30 C ATOM 775 CG PHE A 50 9.574 13.002 -7.389 1.00 41.15 C ATOM 776 CD1 PHE A 50 10.860 12.524 -7.652 1.00 63.22 C ATOM 777 CD2 PHE A 50 9.344 14.376 -7.519 1.00 65.32 C ATOM 778 CE1 PHE A 50 11.873 13.387 -8.030 1.00 74.10 C ATOM 779 CE2 PHE A 50 10.359 15.236 -7.897 1.00 52.45 C ATOM 780 CZ PHE A 50 11.623 14.740 -8.154 1.00 63.13 C ATOM 0 H PHE A 50 7.222 11.747 -10.085 1.00 22.41 H new ATOM 0 HA PHE A 50 8.678 10.821 -8.720 1.00 30.44 H new ATOM 0 HB2 PHE A 50 7.663 12.609 -6.484 1.00 11.30 H new ATOM 0 HB3 PHE A 50 8.850 11.347 -6.222 1.00 11.30 H new ATOM 0 HD1 PHE A 50 11.066 11.468 -7.559 1.00 63.22 H new ATOM 0 HD2 PHE A 50 8.359 14.771 -7.321 1.00 65.32 H new ATOM 0 HE1 PHE A 50 12.862 13.002 -8.229 1.00 74.10 H new ATOM 0 HE2 PHE A 50 10.164 16.294 -7.991 1.00 52.45 H new ATOM 0 HZ PHE A 50 12.416 15.410 -8.452 1.00 63.13 H new ATOM 790 N VAL A 51 5.674 10.098 -7.705 1.00 45.33 N ATOM 791 CA VAL A 51 4.773 9.011 -7.276 1.00 71.31 C ATOM 792 C VAL A 51 4.944 7.778 -8.200 1.00 31.24 C ATOM 793 O VAL A 51 4.677 7.862 -9.405 1.00 64.31 O ATOM 794 CB VAL A 51 3.265 9.468 -7.288 1.00 2.04 C ATOM 795 CG1 VAL A 51 2.348 8.376 -6.678 1.00 71.32 C ATOM 796 CG2 VAL A 51 3.076 10.834 -6.574 1.00 34.22 C ATOM 0 H VAL A 51 5.187 10.912 -8.080 1.00 45.33 H new ATOM 0 HA VAL A 51 5.043 8.747 -6.254 1.00 71.31 H new ATOM 0 HB VAL A 51 2.970 9.606 -8.328 1.00 2.04 H new ATOM 0 HG11 VAL A 51 1.313 8.717 -6.699 1.00 71.32 H new ATOM 0 HG12 VAL A 51 2.439 7.458 -7.259 1.00 71.32 H new ATOM 0 HG13 VAL A 51 2.646 8.184 -5.647 1.00 71.32 H new ATOM 0 HG21 VAL A 51 2.024 11.117 -6.602 1.00 34.22 H new ATOM 0 HG22 VAL A 51 3.402 10.751 -5.537 1.00 34.22 H new ATOM 0 HG23 VAL A 51 3.670 11.595 -7.081 1.00 34.22 H new ATOM 806 N VAL A 52 5.436 6.663 -7.640 1.00 31.51 N ATOM 807 CA VAL A 52 5.599 5.391 -8.383 1.00 13.44 C ATOM 808 C VAL A 52 4.804 4.249 -7.699 1.00 63.25 C ATOM 809 O VAL A 52 4.784 4.127 -6.465 1.00 61.31 O ATOM 810 CB VAL A 52 7.124 5.000 -8.550 1.00 22.55 C ATOM 811 CG1 VAL A 52 7.895 6.060 -9.377 1.00 24.21 C ATOM 812 CG2 VAL A 52 7.826 4.777 -7.190 1.00 34.32 C ATOM 0 H VAL A 52 5.732 6.611 -6.665 1.00 31.51 H new ATOM 0 HA VAL A 52 5.192 5.541 -9.383 1.00 13.44 H new ATOM 0 HB VAL A 52 7.138 4.055 -9.092 1.00 22.55 H new ATOM 0 HG11 VAL A 52 8.938 5.759 -9.472 1.00 24.21 H new ATOM 0 HG12 VAL A 52 7.450 6.142 -10.368 1.00 24.21 H new ATOM 0 HG13 VAL A 52 7.840 7.025 -8.873 1.00 24.21 H new ATOM 0 HG21 VAL A 52 8.870 4.511 -7.358 1.00 34.32 H new ATOM 0 HG22 VAL A 52 7.775 5.692 -6.600 1.00 34.32 H new ATOM 0 HG23 VAL A 52 7.328 3.970 -6.652 1.00 34.32 H new ATOM 822 N LEU A 53 4.108 3.448 -8.518 1.00 32.53 N ATOM 823 CA LEU A 53 3.324 2.274 -8.063 1.00 1.43 C ATOM 824 C LEU A 53 3.927 0.983 -8.651 1.00 24.13 C ATOM 825 O LEU A 53 3.871 0.769 -9.868 1.00 31.34 O ATOM 826 CB LEU A 53 1.842 2.428 -8.507 1.00 13.32 C ATOM 827 CG LEU A 53 1.058 3.617 -7.860 1.00 13.33 C ATOM 828 CD1 LEU A 53 -0.325 3.813 -8.522 1.00 4.42 C ATOM 829 CD2 LEU A 53 0.918 3.423 -6.332 1.00 45.43 C ATOM 0 H LEU A 53 4.068 3.592 -9.527 1.00 32.53 H new ATOM 0 HA LEU A 53 3.361 2.215 -6.975 1.00 1.43 H new ATOM 0 HB2 LEU A 53 1.817 2.548 -9.590 1.00 13.32 H new ATOM 0 HB3 LEU A 53 1.315 1.502 -8.277 1.00 13.32 H new ATOM 0 HG LEU A 53 1.637 4.524 -8.035 1.00 13.33 H new ATOM 0 HD11 LEU A 53 -0.841 4.647 -8.047 1.00 4.42 H new ATOM 0 HD12 LEU A 53 -0.194 4.024 -9.583 1.00 4.42 H new ATOM 0 HD13 LEU A 53 -0.917 2.906 -8.403 1.00 4.42 H new ATOM 0 HD21 LEU A 53 0.369 4.264 -5.907 1.00 45.43 H new ATOM 0 HD22 LEU A 53 0.378 2.498 -6.131 1.00 45.43 H new ATOM 0 HD23 LEU A 53 1.908 3.371 -5.880 1.00 45.43 H new ATOM 841 N GLU A 54 4.506 0.126 -7.791 1.00 45.44 N ATOM 842 CA GLU A 54 5.158 -1.134 -8.224 1.00 41.33 C ATOM 843 C GLU A 54 4.201 -2.339 -8.066 1.00 32.42 C ATOM 844 O GLU A 54 3.676 -2.605 -6.973 1.00 62.32 O ATOM 845 CB GLU A 54 6.478 -1.350 -7.448 1.00 54.12 C ATOM 846 CG GLU A 54 7.551 -0.278 -7.743 1.00 3.25 C ATOM 847 CD GLU A 54 8.870 -0.526 -7.002 1.00 41.23 C ATOM 848 OE1 GLU A 54 9.682 -1.358 -7.466 1.00 21.43 O ATOM 849 OE2 GLU A 54 9.086 0.073 -5.926 1.00 2.41 O ATOM 0 H GLU A 54 4.538 0.281 -6.783 1.00 45.44 H new ATOM 0 HA GLU A 54 5.400 -1.052 -9.284 1.00 41.33 H new ATOM 0 HB2 GLU A 54 6.265 -1.354 -6.379 1.00 54.12 H new ATOM 0 HB3 GLU A 54 6.880 -2.332 -7.697 1.00 54.12 H new ATOM 0 HG2 GLU A 54 7.743 -0.251 -8.816 1.00 3.25 H new ATOM 0 HG3 GLU A 54 7.163 0.702 -7.464 1.00 3.25 H new ATOM 856 N ASN A 55 3.966 -3.040 -9.198 1.00 22.40 N ATOM 857 CA ASN A 55 2.966 -4.120 -9.320 1.00 64.33 C ATOM 858 C ASN A 55 3.684 -5.485 -9.502 1.00 53.41 C ATOM 859 O ASN A 55 4.407 -5.667 -10.492 1.00 41.14 O ATOM 860 CB ASN A 55 2.042 -3.863 -10.561 1.00 42.21 C ATOM 861 CG ASN A 55 1.269 -2.523 -10.582 1.00 63.12 C ATOM 862 OD1 ASN A 55 1.872 -1.427 -10.175 1.00 31.12 O flip ATOM 863 ND2 ASN A 55 0.136 -2.463 -11.050 1.00 25.41 N flip ATOM 0 H ASN A 55 4.475 -2.867 -10.065 1.00 22.40 H new ATOM 0 HA ASN A 55 2.362 -4.138 -8.413 1.00 64.33 H new ATOM 0 HB2 ASN A 55 2.656 -3.916 -11.460 1.00 42.21 H new ATOM 0 HB3 ASN A 55 1.318 -4.675 -10.621 1.00 42.21 H new ATOM 0 HD21 ASN A 55 -0.331 -3.313 -11.365 1.00 25.41 H new ATOM 0 HD22 ASN A 55 -0.338 -1.563 -11.124 1.00 25.41 H new ATOM 870 N GLU A 56 3.489 -6.438 -8.562 1.00 22.13 N ATOM 871 CA GLU A 56 4.010 -7.825 -8.707 1.00 70.35 C ATOM 872 C GLU A 56 3.151 -8.828 -7.893 1.00 34.35 C ATOM 873 O GLU A 56 3.383 -9.032 -6.700 1.00 34.15 O ATOM 874 CB GLU A 56 5.517 -7.914 -8.298 1.00 1.43 C ATOM 875 CG GLU A 56 6.162 -9.318 -8.455 1.00 51.01 C ATOM 876 CD GLU A 56 6.042 -9.908 -9.876 1.00 1.35 C ATOM 877 OE1 GLU A 56 6.815 -9.498 -10.768 1.00 30.41 O ATOM 878 OE2 GLU A 56 5.170 -10.779 -10.105 1.00 22.14 O ATOM 0 H GLU A 56 2.976 -6.277 -7.695 1.00 22.13 H new ATOM 0 HA GLU A 56 3.939 -8.097 -9.760 1.00 70.35 H new ATOM 0 HB2 GLU A 56 6.083 -7.202 -8.899 1.00 1.43 H new ATOM 0 HB3 GLU A 56 5.614 -7.601 -7.258 1.00 1.43 H new ATOM 0 HG2 GLU A 56 7.217 -9.254 -8.187 1.00 51.01 H new ATOM 0 HG3 GLU A 56 5.694 -10.003 -7.748 1.00 51.01 H new ATOM 885 N GLY A 57 2.165 -9.449 -8.564 1.00 61.40 N ATOM 886 CA GLY A 57 1.247 -10.399 -7.923 1.00 65.02 C ATOM 887 C GLY A 57 0.408 -9.775 -6.794 1.00 63.40 C ATOM 888 O GLY A 57 -0.257 -8.763 -7.021 1.00 13.35 O ATOM 0 H GLY A 57 1.985 -9.306 -9.558 1.00 61.40 H new ATOM 0 HA2 GLY A 57 0.577 -10.810 -8.678 1.00 65.02 H new ATOM 0 HA3 GLY A 57 1.822 -11.232 -7.519 1.00 65.02 H new ATOM 892 N PRO A 58 0.407 -10.359 -5.551 1.00 21.33 N ATOM 893 CA PRO A 58 -0.244 -9.720 -4.378 1.00 53.13 C ATOM 894 C PRO A 58 0.549 -8.491 -3.846 1.00 51.24 C ATOM 895 O PRO A 58 -0.011 -7.653 -3.138 1.00 1.52 O ATOM 896 CB PRO A 58 -0.296 -10.870 -3.337 1.00 33.41 C ATOM 897 CG PRO A 58 0.876 -11.737 -3.685 1.00 62.21 C ATOM 898 CD PRO A 58 0.993 -11.686 -5.198 1.00 11.53 C ATOM 0 HA PRO A 58 -1.225 -9.311 -4.618 1.00 53.13 H new ATOM 0 HB2 PRO A 58 -0.220 -10.489 -2.319 1.00 33.41 H new ATOM 0 HB3 PRO A 58 -1.233 -11.423 -3.401 1.00 33.41 H new ATOM 0 HG2 PRO A 58 1.787 -11.373 -3.210 1.00 62.21 H new ATOM 0 HG3 PRO A 58 0.723 -12.759 -3.339 1.00 62.21 H new ATOM 0 HD2 PRO A 58 2.030 -11.765 -5.523 1.00 11.53 H new ATOM 0 HD3 PRO A 58 0.448 -12.503 -5.670 1.00 11.53 H new ATOM 906 N HIS A 59 1.854 -8.390 -4.215 1.00 44.22 N ATOM 907 CA HIS A 59 2.756 -7.305 -3.754 1.00 41.31 C ATOM 908 C HIS A 59 2.419 -5.971 -4.468 1.00 43.23 C ATOM 909 O HIS A 59 2.750 -5.771 -5.645 1.00 53.35 O ATOM 910 CB HIS A 59 4.250 -7.675 -4.000 1.00 62.34 C ATOM 911 CG HIS A 59 4.725 -8.934 -3.316 1.00 20.35 C ATOM 912 ND1 HIS A 59 5.736 -8.943 -2.377 1.00 75.30 N ATOM 913 CD2 HIS A 59 4.369 -10.231 -3.481 1.00 60.24 C ATOM 914 CE1 HIS A 59 5.979 -10.180 -2.004 1.00 53.22 C ATOM 915 NE2 HIS A 59 5.164 -10.980 -2.656 1.00 13.23 N ATOM 0 H HIS A 59 2.307 -9.058 -4.839 1.00 44.22 H new ATOM 0 HA HIS A 59 2.602 -7.181 -2.682 1.00 41.31 H new ATOM 0 HB2 HIS A 59 4.408 -7.783 -5.073 1.00 62.34 H new ATOM 0 HB3 HIS A 59 4.872 -6.844 -3.668 1.00 62.34 H new ATOM 0 HD2 HIS A 59 3.600 -10.605 -4.141 1.00 60.24 H new ATOM 0 HE1 HIS A 59 6.723 -10.487 -1.284 1.00 53.22 H new ATOM 0 HE2 HIS A 59 5.130 -11.995 -2.562 1.00 13.23 H new ATOM 924 N ARG A 60 1.713 -5.090 -3.750 1.00 32.13 N ATOM 925 CA ARG A 60 1.323 -3.746 -4.221 1.00 32.01 C ATOM 926 C ARG A 60 1.872 -2.679 -3.262 1.00 32.44 C ATOM 927 O ARG A 60 1.438 -2.604 -2.111 1.00 21.23 O ATOM 928 CB ARG A 60 -0.228 -3.668 -4.311 1.00 54.12 C ATOM 929 CG ARG A 60 -0.832 -4.482 -5.476 1.00 55.04 C ATOM 930 CD ARG A 60 -0.401 -3.915 -6.840 1.00 5.22 C ATOM 931 NE ARG A 60 -0.964 -4.666 -7.973 1.00 61.34 N ATOM 932 CZ ARG A 60 -1.539 -4.127 -9.023 1.00 5.34 C ATOM 933 NH1 ARG A 60 -1.880 -2.876 -9.038 1.00 52.13 N ATOM 934 NH2 ARG A 60 -1.807 -4.851 -10.055 1.00 30.33 N ATOM 0 H ARG A 60 1.387 -5.291 -2.804 1.00 32.13 H new ATOM 0 HA ARG A 60 1.742 -3.561 -5.210 1.00 32.01 H new ATOM 0 HB2 ARG A 60 -0.654 -4.024 -3.373 1.00 54.12 H new ATOM 0 HB3 ARG A 60 -0.523 -2.624 -4.419 1.00 54.12 H new ATOM 0 HG2 ARG A 60 -0.517 -5.522 -5.397 1.00 55.04 H new ATOM 0 HG3 ARG A 60 -1.920 -4.472 -5.403 1.00 55.04 H new ATOM 0 HD2 ARG A 60 -0.713 -2.873 -6.910 1.00 5.22 H new ATOM 0 HD3 ARG A 60 0.687 -3.928 -6.906 1.00 5.22 H new ATOM 0 HE ARG A 60 -0.903 -5.684 -7.940 1.00 61.34 H new ATOM 0 HH11 ARG A 60 -1.703 -2.289 -8.223 1.00 52.13 H new ATOM 0 HH12 ARG A 60 -2.326 -2.479 -9.865 1.00 52.13 H new ATOM 0 HH21 ARG A 60 -1.572 -5.844 -10.056 1.00 30.33 H new ATOM 0 HH22 ARG A 60 -2.254 -4.431 -10.870 1.00 30.33 H new ATOM 948 N ARG A 61 2.832 -1.851 -3.733 1.00 11.03 N ATOM 949 CA ARG A 61 3.464 -0.814 -2.881 1.00 62.10 C ATOM 950 C ARG A 61 3.490 0.585 -3.548 1.00 14.21 C ATOM 951 O ARG A 61 3.807 0.727 -4.740 1.00 21.43 O ATOM 952 CB ARG A 61 4.887 -1.254 -2.432 1.00 45.22 C ATOM 953 CG ARG A 61 5.912 -1.487 -3.566 1.00 62.31 C ATOM 954 CD ARG A 61 7.272 -1.957 -3.014 1.00 54.03 C ATOM 955 NE ARG A 61 8.296 -2.121 -4.057 1.00 22.21 N ATOM 956 CZ ARG A 61 9.447 -2.746 -3.905 1.00 24.15 C ATOM 957 NH1 ARG A 61 9.752 -3.344 -2.790 1.00 31.20 N ATOM 958 NH2 ARG A 61 10.295 -2.763 -4.879 1.00 42.23 N ATOM 0 H ARG A 61 3.185 -1.879 -4.690 1.00 11.03 H new ATOM 0 HA ARG A 61 2.838 -0.716 -1.994 1.00 62.10 H new ATOM 0 HB2 ARG A 61 5.285 -0.495 -1.759 1.00 45.22 H new ATOM 0 HB3 ARG A 61 4.796 -2.175 -1.856 1.00 45.22 H new ATOM 0 HG2 ARG A 61 5.524 -2.232 -4.261 1.00 62.31 H new ATOM 0 HG3 ARG A 61 6.047 -0.564 -4.130 1.00 62.31 H new ATOM 0 HD2 ARG A 61 7.626 -1.236 -2.277 1.00 54.03 H new ATOM 0 HD3 ARG A 61 7.137 -2.905 -2.494 1.00 54.03 H new ATOM 0 HE ARG A 61 8.100 -1.718 -4.973 1.00 22.21 H new ATOM 0 HH11 ARG A 61 9.094 -3.336 -2.010 1.00 31.20 H new ATOM 0 HH12 ARG A 61 10.649 -3.821 -2.696 1.00 31.20 H new ATOM 0 HH21 ARG A 61 10.072 -2.295 -5.758 1.00 42.23 H new ATOM 0 HH22 ARG A 61 11.188 -3.244 -4.770 1.00 42.23 H new ATOM 972 N LEU A 62 3.109 1.600 -2.752 1.00 41.34 N ATOM 973 CA LEU A 62 3.181 3.029 -3.123 1.00 2.10 C ATOM 974 C LEU A 62 4.487 3.617 -2.547 1.00 13.41 C ATOM 975 O LEU A 62 4.635 3.727 -1.323 1.00 42.31 O ATOM 976 CB LEU A 62 1.919 3.770 -2.566 1.00 72.01 C ATOM 977 CG LEU A 62 1.566 5.188 -3.157 1.00 11.31 C ATOM 978 CD1 LEU A 62 0.126 5.595 -2.777 1.00 30.35 C ATOM 979 CD2 LEU A 62 2.553 6.296 -2.720 1.00 61.12 C ATOM 0 H LEU A 62 2.735 1.450 -1.815 1.00 41.34 H new ATOM 0 HA LEU A 62 3.191 3.153 -4.206 1.00 2.10 H new ATOM 0 HB2 LEU A 62 1.057 3.121 -2.720 1.00 72.01 H new ATOM 0 HB3 LEU A 62 2.046 3.880 -1.489 1.00 72.01 H new ATOM 0 HG LEU A 62 1.651 5.092 -4.239 1.00 11.31 H new ATOM 0 HD11 LEU A 62 -0.097 6.577 -3.195 1.00 30.35 H new ATOM 0 HD12 LEU A 62 -0.576 4.863 -3.176 1.00 30.35 H new ATOM 0 HD13 LEU A 62 0.033 5.633 -1.692 1.00 30.35 H new ATOM 0 HD21 LEU A 62 2.252 7.246 -3.162 1.00 61.12 H new ATOM 0 HD22 LEU A 62 2.545 6.382 -1.633 1.00 61.12 H new ATOM 0 HD23 LEU A 62 3.558 6.041 -3.057 1.00 61.12 H new ATOM 991 N VAL A 63 5.435 3.967 -3.425 1.00 20.32 N ATOM 992 CA VAL A 63 6.729 4.548 -3.015 1.00 52.14 C ATOM 993 C VAL A 63 6.788 6.058 -3.365 1.00 51.24 C ATOM 994 O VAL A 63 6.478 6.462 -4.498 1.00 15.44 O ATOM 995 CB VAL A 63 7.931 3.781 -3.684 1.00 10.34 C ATOM 996 CG1 VAL A 63 9.300 4.328 -3.206 1.00 30.40 C ATOM 997 CG2 VAL A 63 7.823 2.249 -3.450 1.00 2.41 C ATOM 0 H VAL A 63 5.333 3.858 -4.434 1.00 20.32 H new ATOM 0 HA VAL A 63 6.817 4.440 -1.934 1.00 52.14 H new ATOM 0 HB VAL A 63 7.869 3.959 -4.758 1.00 10.34 H new ATOM 0 HG11 VAL A 63 10.103 3.773 -3.690 1.00 30.40 H new ATOM 0 HG12 VAL A 63 9.381 5.384 -3.466 1.00 30.40 H new ATOM 0 HG13 VAL A 63 9.380 4.213 -2.125 1.00 30.40 H new ATOM 0 HG21 VAL A 63 8.667 1.748 -3.924 1.00 2.41 H new ATOM 0 HG22 VAL A 63 7.833 2.043 -2.380 1.00 2.41 H new ATOM 0 HG23 VAL A 63 6.893 1.880 -3.882 1.00 2.41 H new ATOM 1007 N LEU A 64 7.173 6.880 -2.372 1.00 53.32 N ATOM 1008 CA LEU A 64 7.360 8.334 -2.535 1.00 21.51 C ATOM 1009 C LEU A 64 8.832 8.705 -2.194 1.00 15.20 C ATOM 1010 O LEU A 64 9.146 8.902 -1.018 1.00 63.02 O ATOM 1011 CB LEU A 64 6.337 9.133 -1.643 1.00 1.30 C ATOM 1012 CG LEU A 64 5.491 10.218 -2.387 1.00 31.31 C ATOM 1013 CD1 LEU A 64 6.392 11.214 -3.156 1.00 33.04 C ATOM 1014 CD2 LEU A 64 4.442 9.564 -3.314 1.00 44.35 C ATOM 0 H LEU A 64 7.365 6.551 -1.426 1.00 53.32 H new ATOM 0 HA LEU A 64 7.164 8.611 -3.571 1.00 21.51 H new ATOM 0 HB2 LEU A 64 5.654 8.421 -1.179 1.00 1.30 H new ATOM 0 HB3 LEU A 64 6.888 9.618 -0.837 1.00 1.30 H new ATOM 0 HG LEU A 64 4.952 10.792 -1.633 1.00 31.31 H new ATOM 0 HD11 LEU A 64 5.770 11.953 -3.660 1.00 33.04 H new ATOM 0 HD12 LEU A 64 7.058 11.718 -2.455 1.00 33.04 H new ATOM 0 HD13 LEU A 64 6.984 10.674 -3.895 1.00 33.04 H new ATOM 0 HD21 LEU A 64 3.868 10.341 -3.819 1.00 44.35 H new ATOM 0 HD22 LEU A 64 4.947 8.946 -4.056 1.00 44.35 H new ATOM 0 HD23 LEU A 64 3.770 8.943 -2.722 1.00 44.35 H new ATOM 1026 N PRO A 65 9.755 8.775 -3.223 1.00 0.01 N ATOM 1027 CA PRO A 65 11.205 9.104 -3.020 1.00 23.12 C ATOM 1028 C PRO A 65 11.448 10.480 -2.345 1.00 61.02 C ATOM 1029 O PRO A 65 12.312 10.611 -1.467 1.00 60.05 O ATOM 1030 CB PRO A 65 11.788 9.061 -4.466 1.00 5.35 C ATOM 1031 CG PRO A 65 10.600 9.214 -5.365 1.00 64.33 C ATOM 1032 CD PRO A 65 9.472 8.508 -4.658 1.00 31.33 C ATOM 0 HA PRO A 65 11.682 8.404 -2.334 1.00 23.12 H new ATOM 0 HB2 PRO A 65 12.510 9.862 -4.625 1.00 5.35 H new ATOM 0 HB3 PRO A 65 12.308 8.122 -4.655 1.00 5.35 H new ATOM 0 HG2 PRO A 65 10.364 10.265 -5.529 1.00 64.33 H new ATOM 0 HG3 PRO A 65 10.788 8.773 -6.344 1.00 64.33 H new ATOM 0 HD2 PRO A 65 8.500 8.901 -4.957 1.00 31.33 H new ATOM 0 HD3 PRO A 65 9.465 7.440 -4.876 1.00 31.33 H new ATOM 1040 N ALA A 66 10.697 11.505 -2.782 1.00 71.24 N ATOM 1041 CA ALA A 66 10.701 12.843 -2.155 1.00 0.23 C ATOM 1042 C ALA A 66 9.288 13.155 -1.617 1.00 63.03 C ATOM 1043 O ALA A 66 8.462 13.747 -2.324 1.00 62.33 O ATOM 1044 CB ALA A 66 11.177 13.909 -3.165 1.00 2.22 C ATOM 0 H ALA A 66 10.068 11.432 -3.581 1.00 71.24 H new ATOM 0 HA ALA A 66 11.400 12.858 -1.318 1.00 0.23 H new ATOM 0 HB1 ALA A 66 11.174 14.889 -2.688 1.00 2.22 H new ATOM 0 HB2 ALA A 66 12.187 13.670 -3.497 1.00 2.22 H new ATOM 0 HB3 ALA A 66 10.506 13.922 -4.024 1.00 2.22 H new ATOM 1050 N THR A 67 9.009 12.692 -0.380 1.00 31.34 N ATOM 1051 CA THR A 67 7.680 12.845 0.268 1.00 72.13 C ATOM 1052 C THR A 67 7.349 14.336 0.534 1.00 34.11 C ATOM 1053 O THR A 67 8.130 15.062 1.145 1.00 31.32 O ATOM 1054 CB THR A 67 7.601 12.018 1.600 1.00 32.53 C ATOM 1055 OG1 THR A 67 7.884 10.635 1.325 1.00 4.01 O ATOM 1056 CG2 THR A 67 6.219 12.109 2.284 1.00 2.33 C ATOM 0 H THR A 67 9.692 12.203 0.199 1.00 31.34 H new ATOM 0 HA THR A 67 6.934 12.452 -0.423 1.00 72.13 H new ATOM 0 HB THR A 67 8.338 12.446 2.279 1.00 32.53 H new ATOM 0 HG1 THR A 67 8.846 10.521 1.177 1.00 4.01 H new ATOM 0 HG21 THR A 67 6.226 11.517 3.199 1.00 2.33 H new ATOM 0 HG22 THR A 67 6.001 13.149 2.526 1.00 2.33 H new ATOM 0 HG23 THR A 67 5.453 11.725 1.610 1.00 2.33 H new ATOM 1064 N GLN A 68 6.187 14.772 0.040 1.00 71.43 N ATOM 1065 CA GLN A 68 5.733 16.183 0.083 1.00 73.14 C ATOM 1066 C GLN A 68 4.754 16.396 1.272 1.00 51.41 C ATOM 1067 O GLN A 68 4.127 15.431 1.705 1.00 25.12 O ATOM 1068 CB GLN A 68 5.030 16.495 -1.271 1.00 74.22 C ATOM 1069 CG GLN A 68 5.864 16.098 -2.514 1.00 34.32 C ATOM 1070 CD GLN A 68 5.054 16.067 -3.812 1.00 33.10 C ATOM 1071 OE1 GLN A 68 4.999 17.040 -4.564 1.00 73.10 O ATOM 1072 NE2 GLN A 68 4.365 14.962 -4.053 1.00 74.14 N ATOM 0 H GLN A 68 5.516 14.150 -0.411 1.00 71.43 H new ATOM 0 HA GLN A 68 6.580 16.854 0.229 1.00 73.14 H new ATOM 0 HB2 GLN A 68 4.075 15.971 -1.303 1.00 74.22 H new ATOM 0 HB3 GLN A 68 4.810 17.561 -1.318 1.00 74.22 H new ATOM 0 HG2 GLN A 68 6.689 16.801 -2.627 1.00 34.32 H new ATOM 0 HG3 GLN A 68 6.304 15.115 -2.347 1.00 34.32 H new ATOM 0 HE21 GLN A 68 4.430 14.171 -3.413 1.00 74.14 H new ATOM 0 HE22 GLN A 68 3.770 14.902 -4.879 1.00 74.14 H new ATOM 1081 N PRO A 69 4.589 17.661 1.810 1.00 41.23 N ATOM 1082 CA PRO A 69 3.626 17.949 2.920 1.00 70.11 C ATOM 1083 C PRO A 69 2.161 17.529 2.603 1.00 75.04 C ATOM 1084 O PRO A 69 1.429 17.062 3.487 1.00 73.04 O ATOM 1085 CB PRO A 69 3.744 19.489 3.110 1.00 42.31 C ATOM 1086 CG PRO A 69 5.106 19.830 2.581 1.00 32.21 C ATOM 1087 CD PRO A 69 5.337 18.888 1.416 1.00 63.20 C ATOM 0 HA PRO A 69 3.868 17.375 3.815 1.00 70.11 H new ATOM 0 HB2 PRO A 69 2.962 20.017 2.564 1.00 42.31 H new ATOM 0 HB3 PRO A 69 3.644 19.768 4.159 1.00 42.31 H new ATOM 0 HG2 PRO A 69 5.153 20.870 2.259 1.00 32.21 H new ATOM 0 HG3 PRO A 69 5.869 19.699 3.348 1.00 32.21 H new ATOM 0 HD2 PRO A 69 4.961 19.305 0.482 1.00 63.20 H new ATOM 0 HD3 PRO A 69 6.397 18.682 1.270 1.00 63.20 H new ATOM 1095 N SER A 70 1.765 17.673 1.320 1.00 22.53 N ATOM 1096 CA SER A 70 0.402 17.322 0.839 1.00 65.21 C ATOM 1097 C SER A 70 0.230 15.809 0.536 1.00 12.00 C ATOM 1098 O SER A 70 -0.808 15.402 0.016 1.00 45.40 O ATOM 1099 CB SER A 70 0.043 18.164 -0.408 1.00 71.23 C ATOM 1100 OG SER A 70 0.918 17.891 -1.487 1.00 3.42 O ATOM 0 H SER A 70 2.375 18.034 0.587 1.00 22.53 H new ATOM 0 HA SER A 70 -0.286 17.555 1.652 1.00 65.21 H new ATOM 0 HB2 SER A 70 -0.983 17.953 -0.708 1.00 71.23 H new ATOM 0 HB3 SER A 70 0.090 19.224 -0.159 1.00 71.23 H new ATOM 0 HG SER A 70 0.664 18.437 -2.260 1.00 3.42 H new ATOM 1106 N ASP A 71 1.251 14.979 0.845 1.00 42.21 N ATOM 1107 CA ASP A 71 1.098 13.497 0.890 1.00 43.44 C ATOM 1108 C ASP A 71 0.667 13.020 2.304 1.00 71.10 C ATOM 1109 O ASP A 71 0.512 11.822 2.539 1.00 34.34 O ATOM 1110 CB ASP A 71 2.411 12.787 0.448 1.00 14.45 C ATOM 1111 CG ASP A 71 2.741 12.996 -1.044 1.00 55.32 C ATOM 1112 OD1 ASP A 71 1.855 12.754 -1.889 1.00 64.33 O ATOM 1113 OD2 ASP A 71 3.882 13.378 -1.377 1.00 2.14 O ATOM 0 H ASP A 71 2.192 15.304 1.068 1.00 42.21 H new ATOM 0 HA ASP A 71 0.310 13.225 0.188 1.00 43.44 H new ATOM 0 HB2 ASP A 71 3.239 13.159 1.052 1.00 14.45 H new ATOM 0 HB3 ASP A 71 2.324 11.719 0.648 1.00 14.45 H new ATOM 1118 N GLY A 72 0.495 13.973 3.246 1.00 75.23 N ATOM 1119 CA GLY A 72 -0.027 13.678 4.586 1.00 51.01 C ATOM 1120 C GLY A 72 -1.502 13.248 4.570 1.00 54.52 C ATOM 1121 O GLY A 72 -2.384 14.076 4.318 1.00 64.43 O ATOM 0 H GLY A 72 0.714 14.958 3.095 1.00 75.23 H new ATOM 0 HA2 GLY A 72 0.572 12.888 5.038 1.00 51.01 H new ATOM 0 HA3 GLY A 72 0.082 14.561 5.216 1.00 51.01 H new ATOM 1125 N GLY A 73 -1.762 11.949 4.809 1.00 20.43 N ATOM 1126 CA GLY A 73 -3.138 11.421 4.874 1.00 1.05 C ATOM 1127 C GLY A 73 -3.217 9.896 4.783 1.00 74.51 C ATOM 1128 O GLY A 73 -2.190 9.219 4.668 1.00 20.12 O ATOM 0 H GLY A 73 -1.038 11.246 4.960 1.00 20.43 H new ATOM 0 HA2 GLY A 73 -3.598 11.745 5.808 1.00 1.05 H new ATOM 0 HA3 GLY A 73 -3.723 11.855 4.063 1.00 1.05 H new ATOM 1132 N GLU A 74 -4.449 9.352 4.826 1.00 53.40 N ATOM 1133 CA GLU A 74 -4.686 7.885 4.845 1.00 44.43 C ATOM 1134 C GLU A 74 -4.800 7.295 3.419 1.00 45.53 C ATOM 1135 O GLU A 74 -5.785 7.531 2.734 1.00 32.35 O ATOM 1136 CB GLU A 74 -5.972 7.556 5.644 1.00 22.24 C ATOM 1137 CG GLU A 74 -5.945 8.019 7.115 1.00 40.34 C ATOM 1138 CD GLU A 74 -7.122 7.471 7.934 1.00 61.25 C ATOM 1139 OE1 GLU A 74 -8.198 8.108 7.951 1.00 45.30 O ATOM 1140 OE2 GLU A 74 -6.979 6.398 8.560 1.00 62.03 O ATOM 0 H GLU A 74 -5.305 9.907 4.849 1.00 53.40 H new ATOM 0 HA GLU A 74 -3.823 7.429 5.330 1.00 44.43 H new ATOM 0 HB2 GLU A 74 -6.823 8.020 5.146 1.00 22.24 H new ATOM 0 HB3 GLU A 74 -6.136 6.479 5.618 1.00 22.24 H new ATOM 0 HG2 GLU A 74 -5.009 7.700 7.574 1.00 40.34 H new ATOM 0 HG3 GLU A 74 -5.961 9.108 7.148 1.00 40.34 H new ATOM 1147 N PHE A 75 -3.799 6.500 3.001 1.00 71.31 N ATOM 1148 CA PHE A 75 -3.788 5.837 1.679 1.00 11.44 C ATOM 1149 C PHE A 75 -4.464 4.452 1.770 1.00 65.43 C ATOM 1150 O PHE A 75 -4.044 3.587 2.543 1.00 13.32 O ATOM 1151 CB PHE A 75 -2.342 5.714 1.147 1.00 33.51 C ATOM 1152 CG PHE A 75 -1.691 7.067 0.847 1.00 33.55 C ATOM 1153 CD1 PHE A 75 -1.098 7.817 1.859 1.00 23.22 C ATOM 1154 CD2 PHE A 75 -1.680 7.586 -0.444 1.00 41.45 C ATOM 1155 CE1 PHE A 75 -0.514 9.038 1.584 1.00 61.21 C ATOM 1156 CE2 PHE A 75 -1.093 8.809 -0.719 1.00 11.35 C ATOM 1157 CZ PHE A 75 -0.509 9.534 0.297 1.00 52.02 C ATOM 0 H PHE A 75 -2.975 6.297 3.567 1.00 71.31 H new ATOM 0 HA PHE A 75 -4.354 6.448 0.976 1.00 11.44 H new ATOM 0 HB2 PHE A 75 -1.736 5.182 1.880 1.00 33.51 H new ATOM 0 HB3 PHE A 75 -2.346 5.111 0.239 1.00 33.51 H new ATOM 0 HD1 PHE A 75 -1.095 7.440 2.871 1.00 23.22 H new ATOM 0 HD2 PHE A 75 -2.137 7.025 -1.245 1.00 41.45 H new ATOM 0 HE1 PHE A 75 -0.059 9.607 2.381 1.00 61.21 H new ATOM 0 HE2 PHE A 75 -1.093 9.194 -1.728 1.00 11.35 H new ATOM 0 HZ PHE A 75 -0.049 10.488 0.086 1.00 52.02 H new ATOM 1167 N GLN A 76 -5.515 4.269 0.960 1.00 65.05 N ATOM 1168 CA GLN A 76 -6.441 3.123 1.048 1.00 54.50 C ATOM 1169 C GLN A 76 -6.234 2.129 -0.117 1.00 43.22 C ATOM 1170 O GLN A 76 -6.518 2.453 -1.275 1.00 71.23 O ATOM 1171 CB GLN A 76 -7.894 3.672 1.046 1.00 45.33 C ATOM 1172 CG GLN A 76 -8.199 4.641 2.212 1.00 23.45 C ATOM 1173 CD GLN A 76 -9.527 5.402 2.076 1.00 52.14 C ATOM 1174 OE1 GLN A 76 -9.660 6.522 2.553 1.00 63.30 O ATOM 1175 NE2 GLN A 76 -10.525 4.815 1.439 1.00 60.42 N ATOM 0 H GLN A 76 -5.753 4.921 0.212 1.00 65.05 H new ATOM 0 HA GLN A 76 -6.244 2.573 1.968 1.00 54.50 H new ATOM 0 HB2 GLN A 76 -8.077 4.186 0.102 1.00 45.33 H new ATOM 0 HB3 GLN A 76 -8.589 2.834 1.092 1.00 45.33 H new ATOM 0 HG2 GLN A 76 -8.212 4.076 3.144 1.00 23.45 H new ATOM 0 HG3 GLN A 76 -7.387 5.364 2.289 1.00 23.45 H new ATOM 0 HE21 GLN A 76 -10.401 3.882 1.046 1.00 60.42 H new ATOM 0 HE22 GLN A 76 -11.419 5.295 1.340 1.00 60.42 H new ATOM 1184 N CYS A 77 -5.725 0.922 0.200 1.00 32.23 N ATOM 1185 CA CYS A 77 -5.621 -0.184 -0.774 1.00 75.24 C ATOM 1186 C CYS A 77 -6.960 -0.943 -0.828 1.00 53.15 C ATOM 1187 O CYS A 77 -7.209 -1.830 -0.005 1.00 55.45 O ATOM 1188 CB CYS A 77 -4.490 -1.158 -0.367 1.00 51.22 C ATOM 1189 SG CYS A 77 -2.907 -0.358 -0.101 1.00 0.01 S ATOM 0 H CYS A 77 -5.377 0.687 1.130 1.00 32.23 H new ATOM 0 HA CYS A 77 -5.390 0.230 -1.756 1.00 75.24 H new ATOM 0 HB2 CYS A 77 -4.782 -1.678 0.546 1.00 51.22 H new ATOM 0 HB3 CYS A 77 -4.378 -1.915 -1.143 1.00 51.22 H new ATOM 0 HG CYS A 77 -2.790 0.652 -0.911 1.00 0.01 H new ATOM 1195 N VAL A 78 -7.822 -0.585 -1.789 1.00 63.03 N ATOM 1196 CA VAL A 78 -9.139 -1.228 -1.957 1.00 12.21 C ATOM 1197 C VAL A 78 -8.989 -2.501 -2.814 1.00 65.24 C ATOM 1198 O VAL A 78 -8.883 -2.438 -4.044 1.00 55.20 O ATOM 1199 CB VAL A 78 -10.183 -0.238 -2.599 1.00 34.24 C ATOM 1200 CG1 VAL A 78 -11.575 -0.901 -2.796 1.00 52.03 C ATOM 1201 CG2 VAL A 78 -10.292 1.054 -1.756 1.00 40.25 C ATOM 0 H VAL A 78 -7.632 0.152 -2.468 1.00 63.03 H new ATOM 0 HA VAL A 78 -9.518 -1.504 -0.973 1.00 12.21 H new ATOM 0 HB VAL A 78 -9.818 0.026 -3.592 1.00 34.24 H new ATOM 0 HG11 VAL A 78 -12.261 -0.181 -3.241 1.00 52.03 H new ATOM 0 HG12 VAL A 78 -11.477 -1.764 -3.455 1.00 52.03 H new ATOM 0 HG13 VAL A 78 -11.964 -1.224 -1.830 1.00 52.03 H new ATOM 0 HG21 VAL A 78 -11.017 1.727 -2.214 1.00 40.25 H new ATOM 0 HG22 VAL A 78 -10.616 0.803 -0.746 1.00 40.25 H new ATOM 0 HG23 VAL A 78 -9.319 1.544 -1.713 1.00 40.25 H new ATOM 1211 N ALA A 79 -8.953 -3.652 -2.134 1.00 41.23 N ATOM 1212 CA ALA A 79 -8.812 -4.964 -2.779 1.00 13.33 C ATOM 1213 C ALA A 79 -10.183 -5.465 -3.272 1.00 14.31 C ATOM 1214 O ALA A 79 -10.411 -5.613 -4.474 1.00 52.40 O ATOM 1215 CB ALA A 79 -8.176 -5.957 -1.793 1.00 63.41 C ATOM 0 H ALA A 79 -9.021 -3.701 -1.117 1.00 41.23 H new ATOM 0 HA ALA A 79 -8.159 -4.875 -3.647 1.00 13.33 H new ATOM 0 HB1 ALA A 79 -8.072 -6.930 -2.273 1.00 63.41 H new ATOM 0 HB2 ALA A 79 -7.193 -5.593 -1.493 1.00 63.41 H new ATOM 0 HB3 ALA A 79 -8.811 -6.053 -0.912 1.00 63.41 H new ATOM 1221 N GLY A 80 -11.090 -5.698 -2.313 1.00 42.11 N ATOM 1222 CA GLY A 80 -12.419 -6.249 -2.584 1.00 21.55 C ATOM 1223 C GLY A 80 -13.115 -6.630 -1.283 1.00 61.02 C ATOM 1224 O GLY A 80 -12.664 -7.564 -0.608 1.00 0.10 O ATOM 0 H GLY A 80 -10.919 -5.508 -1.326 1.00 42.11 H new ATOM 0 HA2 GLY A 80 -13.020 -5.517 -3.123 1.00 21.55 H new ATOM 0 HA3 GLY A 80 -12.332 -7.125 -3.227 1.00 21.55 H new ATOM 1228 N ASP A 81 -14.174 -5.868 -0.926 1.00 75.05 N ATOM 1229 CA ASP A 81 -14.898 -5.959 0.377 1.00 0.43 C ATOM 1230 C ASP A 81 -14.104 -5.280 1.535 1.00 5.13 C ATOM 1231 O ASP A 81 -14.662 -4.458 2.270 1.00 71.04 O ATOM 1232 CB ASP A 81 -15.296 -7.426 0.728 1.00 32.50 C ATOM 1233 CG ASP A 81 -16.049 -7.573 2.057 1.00 24.12 C ATOM 1234 OD1 ASP A 81 -17.155 -7.013 2.184 1.00 32.41 O ATOM 1235 OD2 ASP A 81 -15.554 -8.276 2.971 1.00 43.23 O ATOM 0 H ASP A 81 -14.563 -5.156 -1.544 1.00 75.05 H new ATOM 0 HA ASP A 81 -15.827 -5.401 0.258 1.00 0.43 H new ATOM 0 HB2 ASP A 81 -15.917 -7.824 -0.074 1.00 32.50 H new ATOM 0 HB3 ASP A 81 -14.394 -8.036 0.765 1.00 32.50 H new ATOM 1240 N GLU A 82 -12.807 -5.625 1.693 1.00 70.20 N ATOM 1241 CA GLU A 82 -11.920 -5.017 2.724 1.00 21.42 C ATOM 1242 C GLU A 82 -10.789 -4.168 2.082 1.00 14.10 C ATOM 1243 O GLU A 82 -10.431 -4.360 0.909 1.00 52.03 O ATOM 1244 CB GLU A 82 -11.329 -6.117 3.653 1.00 32.41 C ATOM 1245 CG GLU A 82 -12.394 -6.922 4.428 1.00 72.52 C ATOM 1246 CD GLU A 82 -11.793 -7.827 5.519 1.00 34.22 C ATOM 1247 OE1 GLU A 82 -11.319 -8.932 5.191 1.00 22.44 O ATOM 1248 OE2 GLU A 82 -11.759 -7.416 6.697 1.00 14.43 O ATOM 0 H GLU A 82 -12.343 -6.327 1.117 1.00 70.20 H new ATOM 0 HA GLU A 82 -12.528 -4.343 3.327 1.00 21.42 H new ATOM 0 HB2 GLU A 82 -10.734 -6.805 3.052 1.00 32.41 H new ATOM 0 HB3 GLU A 82 -10.651 -5.650 4.367 1.00 32.41 H new ATOM 0 HG2 GLU A 82 -13.101 -6.230 4.887 1.00 72.52 H new ATOM 0 HG3 GLU A 82 -12.959 -7.536 3.726 1.00 72.52 H new ATOM 1255 N CYS A 83 -10.241 -3.219 2.878 1.00 72.22 N ATOM 1256 CA CYS A 83 -9.218 -2.242 2.421 1.00 21.43 C ATOM 1257 C CYS A 83 -8.207 -1.904 3.549 1.00 21.00 C ATOM 1258 O CYS A 83 -8.582 -1.814 4.723 1.00 20.14 O ATOM 1259 CB CYS A 83 -9.909 -0.951 1.918 1.00 31.33 C ATOM 1260 SG CYS A 83 -11.027 -0.182 3.116 1.00 34.23 S ATOM 0 H CYS A 83 -10.496 -3.107 3.859 1.00 72.22 H new ATOM 0 HA CYS A 83 -8.661 -2.697 1.602 1.00 21.43 H new ATOM 0 HB2 CYS A 83 -9.142 -0.228 1.640 1.00 31.33 H new ATOM 0 HB3 CYS A 83 -10.471 -1.184 1.013 1.00 31.33 H new ATOM 0 HG CYS A 83 -10.333 0.352 4.077 1.00 34.23 H new ATOM 1266 N ALA A 84 -6.919 -1.715 3.169 1.00 3.35 N ATOM 1267 CA ALA A 84 -5.815 -1.387 4.116 1.00 44.40 C ATOM 1268 C ALA A 84 -5.563 0.136 4.180 1.00 65.53 C ATOM 1269 O ALA A 84 -5.364 0.780 3.148 1.00 65.41 O ATOM 1270 CB ALA A 84 -4.525 -2.120 3.699 1.00 3.22 C ATOM 0 H ALA A 84 -6.613 -1.785 2.199 1.00 3.35 H new ATOM 0 HA ALA A 84 -6.114 -1.721 5.110 1.00 44.40 H new ATOM 0 HB1 ALA A 84 -3.725 -1.874 4.397 1.00 3.22 H new ATOM 0 HB2 ALA A 84 -4.698 -3.196 3.710 1.00 3.22 H new ATOM 0 HB3 ALA A 84 -4.238 -1.809 2.694 1.00 3.22 H new ATOM 1276 N TYR A 85 -5.558 0.696 5.402 1.00 45.23 N ATOM 1277 CA TYR A 85 -5.358 2.148 5.638 1.00 74.23 C ATOM 1278 C TYR A 85 -3.922 2.421 6.132 1.00 51.10 C ATOM 1279 O TYR A 85 -3.491 1.849 7.142 1.00 12.35 O ATOM 1280 CB TYR A 85 -6.374 2.673 6.691 1.00 53.40 C ATOM 1281 CG TYR A 85 -7.858 2.502 6.306 1.00 52.12 C ATOM 1282 CD1 TYR A 85 -8.483 1.251 6.386 1.00 32.33 C ATOM 1283 CD2 TYR A 85 -8.635 3.586 5.881 1.00 52.12 C ATOM 1284 CE1 TYR A 85 -9.811 1.090 6.062 1.00 63.01 C ATOM 1285 CE2 TYR A 85 -9.969 3.422 5.551 1.00 14.42 C ATOM 1286 CZ TYR A 85 -10.550 2.175 5.647 1.00 4.25 C ATOM 1287 OH TYR A 85 -11.882 2.010 5.336 1.00 71.11 O ATOM 0 H TYR A 85 -5.692 0.159 6.259 1.00 45.23 H new ATOM 0 HA TYR A 85 -5.518 2.669 4.694 1.00 74.23 H new ATOM 0 HB2 TYR A 85 -6.197 2.156 7.634 1.00 53.40 H new ATOM 0 HB3 TYR A 85 -6.179 3.731 6.866 1.00 53.40 H new ATOM 0 HD1 TYR A 85 -7.910 0.394 6.709 1.00 32.33 H new ATOM 0 HD2 TYR A 85 -8.186 4.566 5.809 1.00 52.12 H new ATOM 0 HE1 TYR A 85 -10.272 0.116 6.133 1.00 63.01 H new ATOM 0 HE2 TYR A 85 -10.553 4.268 5.219 1.00 14.42 H new ATOM 0 HH TYR A 85 -11.973 1.332 4.635 1.00 71.11 H new ATOM 1297 N PHE A 86 -3.193 3.295 5.417 1.00 44.15 N ATOM 1298 CA PHE A 86 -1.853 3.762 5.828 1.00 31.23 C ATOM 1299 C PHE A 86 -1.923 5.265 6.177 1.00 64.42 C ATOM 1300 O PHE A 86 -2.020 6.102 5.278 1.00 43.35 O ATOM 1301 CB PHE A 86 -0.834 3.535 4.676 1.00 21.14 C ATOM 1302 CG PHE A 86 -0.673 2.074 4.244 1.00 55.51 C ATOM 1303 CD1 PHE A 86 -1.500 1.514 3.267 1.00 63.32 C ATOM 1304 CD2 PHE A 86 0.314 1.264 4.812 1.00 21.41 C ATOM 1305 CE1 PHE A 86 -1.344 0.199 2.875 1.00 51.25 C ATOM 1306 CE2 PHE A 86 0.467 -0.052 4.417 1.00 2.34 C ATOM 1307 CZ PHE A 86 -0.363 -0.583 3.449 1.00 2.10 C ATOM 0 H PHE A 86 -3.514 3.699 4.537 1.00 44.15 H new ATOM 0 HA PHE A 86 -1.526 3.199 6.702 1.00 31.23 H new ATOM 0 HB2 PHE A 86 -1.145 4.123 3.813 1.00 21.14 H new ATOM 0 HB3 PHE A 86 0.138 3.917 4.988 1.00 21.14 H new ATOM 0 HD1 PHE A 86 -2.272 2.118 2.812 1.00 63.32 H new ATOM 0 HD2 PHE A 86 0.966 1.672 5.570 1.00 21.41 H new ATOM 0 HE1 PHE A 86 -1.991 -0.218 2.118 1.00 51.25 H new ATOM 0 HE2 PHE A 86 1.235 -0.665 4.865 1.00 2.34 H new ATOM 0 HZ PHE A 86 -0.244 -1.611 3.141 1.00 2.10 H new ATOM 1317 N THR A 87 -1.837 5.609 7.471 1.00 54.31 N ATOM 1318 CA THR A 87 -1.973 7.007 7.930 1.00 51.41 C ATOM 1319 C THR A 87 -0.599 7.707 7.920 1.00 55.23 C ATOM 1320 O THR A 87 0.206 7.504 8.824 1.00 13.55 O ATOM 1321 CB THR A 87 -2.589 7.091 9.369 1.00 5.32 C ATOM 1322 OG1 THR A 87 -3.807 6.325 9.440 1.00 64.55 O ATOM 1323 CG2 THR A 87 -2.889 8.548 9.776 1.00 52.23 C ATOM 0 H THR A 87 -1.674 4.939 8.223 1.00 54.31 H new ATOM 0 HA THR A 87 -2.650 7.510 7.240 1.00 51.41 H new ATOM 0 HB THR A 87 -1.851 6.681 10.059 1.00 5.32 H new ATOM 0 HG1 THR A 87 -4.179 6.386 10.345 1.00 64.55 H new ATOM 0 HG21 THR A 87 -3.315 8.565 10.779 1.00 52.23 H new ATOM 0 HG22 THR A 87 -1.965 9.127 9.764 1.00 52.23 H new ATOM 0 HG23 THR A 87 -3.599 8.983 9.073 1.00 52.23 H new ATOM 1331 N VAL A 88 -0.347 8.529 6.894 1.00 23.24 N ATOM 1332 CA VAL A 88 0.932 9.250 6.728 1.00 12.01 C ATOM 1333 C VAL A 88 0.852 10.633 7.425 1.00 1.34 C ATOM 1334 O VAL A 88 0.120 11.523 6.991 1.00 5.32 O ATOM 1335 CB VAL A 88 1.296 9.390 5.198 1.00 14.24 C ATOM 1336 CG1 VAL A 88 2.591 10.210 4.973 1.00 4.44 C ATOM 1337 CG2 VAL A 88 1.408 7.987 4.544 1.00 22.15 C ATOM 0 H VAL A 88 -1.021 8.717 6.152 1.00 23.24 H new ATOM 0 HA VAL A 88 1.730 8.678 7.201 1.00 12.01 H new ATOM 0 HB VAL A 88 0.488 9.942 4.718 1.00 14.24 H new ATOM 0 HG11 VAL A 88 2.798 10.277 3.905 1.00 4.44 H new ATOM 0 HG12 VAL A 88 2.463 11.212 5.382 1.00 4.44 H new ATOM 0 HG13 VAL A 88 3.425 9.718 5.474 1.00 4.44 H new ATOM 0 HG21 VAL A 88 1.659 8.096 3.489 1.00 22.15 H new ATOM 0 HG22 VAL A 88 2.187 7.413 5.045 1.00 22.15 H new ATOM 0 HG23 VAL A 88 0.456 7.465 4.638 1.00 22.15 H new ATOM 1347 N THR A 89 1.577 10.764 8.548 1.00 60.21 N ATOM 1348 CA THR A 89 1.578 11.974 9.400 1.00 71.12 C ATOM 1349 C THR A 89 2.867 12.788 9.169 1.00 21.32 C ATOM 1350 O THR A 89 3.962 12.314 9.474 1.00 74.14 O ATOM 1351 CB THR A 89 1.462 11.576 10.912 1.00 50.14 C ATOM 1352 OG1 THR A 89 0.313 10.727 11.104 1.00 4.22 O ATOM 1353 CG2 THR A 89 1.347 12.806 11.833 1.00 14.22 C ATOM 0 H THR A 89 2.188 10.026 8.898 1.00 60.21 H new ATOM 0 HA THR A 89 0.718 12.588 9.130 1.00 71.12 H new ATOM 0 HB THR A 89 2.376 11.045 11.179 1.00 50.14 H new ATOM 0 HG1 THR A 89 0.244 10.479 12.049 1.00 4.22 H new ATOM 0 HG21 THR A 89 1.269 12.478 12.870 1.00 14.22 H new ATOM 0 HG22 THR A 89 2.231 13.432 11.716 1.00 14.22 H new ATOM 0 HG23 THR A 89 0.459 13.379 11.566 1.00 14.22 H new ATOM 1361 N ILE A 90 2.725 14.015 8.631 1.00 50.23 N ATOM 1362 CA ILE A 90 3.872 14.877 8.242 1.00 23.10 C ATOM 1363 C ILE A 90 3.824 16.223 8.990 1.00 54.23 C ATOM 1364 O ILE A 90 4.412 16.395 10.068 1.00 73.52 O ATOM 1365 CB ILE A 90 3.881 15.132 6.687 1.00 44.41 C ATOM 1366 CG1 ILE A 90 3.854 13.769 5.913 1.00 31.03 C ATOM 1367 CG2 ILE A 90 5.108 15.984 6.265 1.00 51.35 C ATOM 1368 CD1 ILE A 90 3.803 13.891 4.406 1.00 22.32 C ATOM 0 H ILE A 90 1.816 14.441 8.452 1.00 50.23 H new ATOM 0 HA ILE A 90 4.788 14.354 8.517 1.00 23.10 H new ATOM 0 HB ILE A 90 2.984 15.695 6.429 1.00 44.41 H new ATOM 0 HG12 ILE A 90 4.740 13.195 6.186 1.00 31.03 H new ATOM 0 HG13 ILE A 90 2.988 13.196 6.246 1.00 31.03 H new ATOM 0 HG21 ILE A 90 5.087 16.143 5.187 1.00 51.35 H new ATOM 0 HG22 ILE A 90 5.075 16.947 6.775 1.00 51.35 H new ATOM 0 HG23 ILE A 90 6.025 15.461 6.537 1.00 51.35 H new ATOM 0 HD11 ILE A 90 3.787 12.896 3.961 1.00 22.32 H new ATOM 0 HD12 ILE A 90 2.903 14.433 4.115 1.00 22.32 H new ATOM 0 HD13 ILE A 90 4.682 14.432 4.055 1.00 22.32 H new