USER MOD reduce.3.24.130724 H: found=0, std=0, add=823, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 825 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 99 ASN : amide:sc= -5.41! C(o=-6.1!,f=-8.5!) USER MOD Set 1.2: A 102 MET CE :methyl -137:sc= -0.711 (180deg=-3.77!) USER MOD Set 2.1: A 51 THR OG1 : rot -69:sc= 1.51 USER MOD Set 2.2: A 59 MET CE :methyl 163:sc= -11.5! (180deg=-13.1!) USER MOD Set 2.3: B 478 MET CE :methyl -117:sc= -3.02 (180deg=0) USER MOD Set 3.1: A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.2: A 90 SER OG : rot 22:sc= -0.458 USER MOD Set 4.1: A 28 THR OG1 : rot 180:sc= -2.92! USER MOD Set 4.2: A 39 THR OG1 : rot -171:sc= -4.87! USER MOD Set 5.1: A 11 LYS NZ :NH3+ 157:sc= -0.57 (180deg=0) USER MOD Set 5.2: A 88 MET CE :methyl 145:sc= -4.68 (180deg=-7.83!) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 HIS : no HD1:sc= -0.63 K(o=-0.63,f=-2!) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 13 SER OG : rot 180:sc= 0.0535 USER MOD Single : A 19 ASN : amide:sc= -0.127 X(o=-0.13,f=0.094) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot 76:sc= -0.207 USER MOD Single : A 36 LYS NZ :NH3+ 147:sc= -0.294 (180deg=-1.38!) USER MOD Single : A 38 HIS : no HD1:sc= -0.138 X(o=-0.14,f=-0.17) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -2.5! C(o=-2.5!,f=-6.9!) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot -170:sc= -0.759 USER MOD Single : A 58 MET CE :methyl -128:sc= -0.359 (180deg=-3.7!) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 HIS : no HD1:sc= -0.774 K(o=-0.77,f=-0.14) USER MOD Single : A 92 ASN : amide:sc= -0.401 K(o=-0.4,f=-2) USER MOD Single : A 93 ASN : amide:sc= -0.21 X(o=-0.21,f=-0.27) USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 97 MET CE :methyl -154:sc= -0.355 (180deg=-1.33!) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 THR OG1 : rot -111:sc= 0.445 USER MOD Single : A 105 GLN : amide:sc= -0.181 K(o=-0.18,f=-1) USER MOD Single : A 106 GLN : amide:sc= 0 X(o=0,f=-0.0097) USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD Single : A 111 TYR OH : rot 35:sc= -2.73 USER MOD Single : A 112 LYS NZ :NH3+ 156:sc= -0.0245 (180deg=-0.332) USER MOD Single : B 477 GLN : amide:sc= -0.152 K(o=-0.15,f=-1.5!) USER MOD Single : B 480 THR OG1 : rot 76:sc= 1.23 USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 1 -10.632 13.663 10.663 1.00 0.00 N ATOM 2 CA PRO A 1 -10.425 12.708 9.540 1.00 0.00 C ATOM 3 C PRO A 1 -8.942 12.453 9.276 1.00 0.00 C ATOM 4 O PRO A 1 -8.508 12.376 8.127 1.00 0.00 O ATOM 5 CB PRO A 1 -11.096 13.302 8.303 1.00 0.00 C ATOM 6 CG PRO A 1 -11.546 14.656 8.739 1.00 0.00 C ATOM 7 CD PRO A 1 -11.689 14.595 10.241 1.00 0.00 C ATOM 0 H2 PRO A 1 -9.770 14.166 10.874 1.00 0.00 H new ATOM 0 H3 PRO A 1 -10.904 13.168 11.513 1.00 0.00 H new ATOM 0 HA PRO A 1 -10.863 11.743 9.795 1.00 0.00 H new ATOM 0 HB2 PRO A 1 -10.401 13.365 7.466 1.00 0.00 H new ATOM 0 HB3 PRO A 1 -11.936 12.691 7.975 1.00 0.00 H new ATOM 0 HG2 PRO A 1 -10.823 15.418 8.448 1.00 0.00 H new ATOM 0 HG3 PRO A 1 -12.493 14.920 8.269 1.00 0.00 H new ATOM 0 HD2 PRO A 1 -11.559 15.578 10.694 1.00 0.00 H new ATOM 0 HD3 PRO A 1 -12.676 14.237 10.534 1.00 0.00 H new ATOM 17 N SER A 2 -8.169 12.321 10.350 1.00 0.00 N ATOM 18 CA SER A 2 -6.736 12.074 10.236 1.00 0.00 C ATOM 19 C SER A 2 -6.441 10.589 10.019 1.00 0.00 C ATOM 20 O SER A 2 -5.286 10.198 9.857 1.00 0.00 O ATOM 21 CB SER A 2 -6.013 12.569 11.489 1.00 0.00 C ATOM 22 OG SER A 2 -6.288 13.938 11.730 1.00 0.00 O ATOM 0 H SER A 2 -8.511 12.381 11.309 1.00 0.00 H new ATOM 0 HA SER A 2 -6.372 12.623 9.368 1.00 0.00 H new ATOM 0 HB2 SER A 2 -6.323 11.976 12.349 1.00 0.00 H new ATOM 0 HB3 SER A 2 -4.939 12.426 11.373 1.00 0.00 H new ATOM 0 HG SER A 2 -5.815 14.229 12.537 1.00 0.00 H new ATOM 28 N HIS A 3 -7.488 9.766 10.016 1.00 0.00 N ATOM 29 CA HIS A 3 -7.328 8.328 9.818 1.00 0.00 C ATOM 30 C HIS A 3 -8.316 7.799 8.789 1.00 0.00 C ATOM 31 O HIS A 3 -8.610 6.606 8.740 1.00 0.00 O ATOM 32 CB HIS A 3 -7.466 7.558 11.137 1.00 0.00 C ATOM 33 CG HIS A 3 -7.730 8.421 12.333 1.00 0.00 C ATOM 34 ND1 HIS A 3 -8.771 9.324 12.399 1.00 0.00 N ATOM 35 CD2 HIS A 3 -7.080 8.512 13.516 1.00 0.00 C ATOM 36 CE1 HIS A 3 -8.747 9.934 13.571 1.00 0.00 C ATOM 37 NE2 HIS A 3 -7.732 9.459 14.267 1.00 0.00 N ATOM 0 H HIS A 3 -8.453 10.070 10.148 1.00 0.00 H new ATOM 0 HA HIS A 3 -6.319 8.168 9.438 1.00 0.00 H new ATOM 0 HB2 HIS A 3 -8.277 6.836 11.039 1.00 0.00 H new ATOM 0 HB3 HIS A 3 -6.552 6.989 11.309 1.00 0.00 H new ATOM 0 HD2 HIS A 3 -6.210 7.945 13.814 1.00 0.00 H new ATOM 0 HE1 HIS A 3 -9.441 10.693 13.903 1.00 0.00 H new ATOM 0 HE2 HIS A 3 -7.473 9.748 15.210 1.00 0.00 H new ATOM 46 N SER A 4 -8.817 8.698 7.969 1.00 0.00 N ATOM 47 CA SER A 4 -9.767 8.339 6.926 1.00 0.00 C ATOM 48 C SER A 4 -9.467 9.113 5.652 1.00 0.00 C ATOM 49 O SER A 4 -9.001 10.251 5.700 1.00 0.00 O ATOM 50 CB SER A 4 -11.200 8.612 7.382 1.00 0.00 C ATOM 51 OG SER A 4 -11.256 9.727 8.255 1.00 0.00 O ATOM 0 H SER A 4 -8.583 9.690 8.001 1.00 0.00 H new ATOM 0 HA SER A 4 -9.667 7.273 6.724 1.00 0.00 H new ATOM 0 HB2 SER A 4 -11.832 8.795 6.513 1.00 0.00 H new ATOM 0 HB3 SER A 4 -11.598 7.731 7.886 1.00 0.00 H new ATOM 0 HG SER A 4 -12.184 9.881 8.530 1.00 0.00 H new ATOM 57 N GLY A 5 -9.728 8.488 4.512 1.00 0.00 N ATOM 58 CA GLY A 5 -9.469 9.135 3.246 1.00 0.00 C ATOM 59 C GLY A 5 -10.012 8.343 2.081 1.00 0.00 C ATOM 60 O GLY A 5 -10.498 7.228 2.254 1.00 0.00 O ATOM 0 H GLY A 5 -10.114 7.546 4.443 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -9.918 10.128 3.249 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -8.395 9.271 3.122 1.00 0.00 H new ATOM 64 N ALA A 6 -9.932 8.920 0.892 1.00 0.00 N ATOM 65 CA ALA A 6 -10.422 8.255 -0.306 1.00 0.00 C ATOM 66 C ALA A 6 -9.276 7.885 -1.240 1.00 0.00 C ATOM 67 O ALA A 6 -8.485 8.738 -1.642 1.00 0.00 O ATOM 68 CB ALA A 6 -11.430 9.141 -1.024 1.00 0.00 C ATOM 0 H ALA A 6 -9.534 9.845 0.731 1.00 0.00 H new ATOM 0 HA ALA A 6 -10.916 7.332 -0.003 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -11.789 8.632 -1.919 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -12.271 9.347 -0.361 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -10.953 10.079 -1.307 1.00 0.00 H new ATOM 74 N ALA A 7 -9.197 6.603 -1.580 1.00 0.00 N ATOM 75 CA ALA A 7 -8.154 6.107 -2.467 1.00 0.00 C ATOM 76 C ALA A 7 -8.703 5.039 -3.401 1.00 0.00 C ATOM 77 O ALA A 7 -9.782 4.493 -3.167 1.00 0.00 O ATOM 78 CB ALA A 7 -6.997 5.544 -1.659 1.00 0.00 C ATOM 0 H ALA A 7 -9.846 5.887 -1.253 1.00 0.00 H new ATOM 0 HA ALA A 7 -7.794 6.942 -3.068 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -6.225 5.177 -2.336 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -6.581 6.327 -1.025 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -7.353 4.724 -1.036 1.00 0.00 H new ATOM 84 N ILE A 8 -7.955 4.736 -4.453 1.00 0.00 N ATOM 85 CA ILE A 8 -8.372 3.723 -5.406 1.00 0.00 C ATOM 86 C ILE A 8 -7.636 2.412 -5.147 1.00 0.00 C ATOM 87 O ILE A 8 -6.408 2.361 -5.167 1.00 0.00 O ATOM 88 CB ILE A 8 -8.140 4.185 -6.868 1.00 0.00 C ATOM 89 CG1 ILE A 8 -9.333 3.788 -7.744 1.00 0.00 C ATOM 90 CG2 ILE A 8 -6.846 3.605 -7.424 1.00 0.00 C ATOM 91 CD1 ILE A 8 -8.973 2.906 -8.922 1.00 0.00 C ATOM 0 H ILE A 8 -7.060 5.177 -4.666 1.00 0.00 H new ATOM 0 HA ILE A 8 -9.442 3.564 -5.270 1.00 0.00 H new ATOM 0 HB ILE A 8 -8.049 5.271 -6.875 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -10.066 3.269 -7.126 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -9.813 4.693 -8.116 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -6.707 3.944 -8.450 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -6.006 3.939 -6.814 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -6.898 2.516 -7.405 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -9.874 2.671 -9.490 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -8.265 3.429 -9.565 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -8.521 1.982 -8.560 1.00 0.00 H new ATOM 103 N PHE A 9 -8.397 1.358 -4.902 1.00 0.00 N ATOM 104 CA PHE A 9 -7.822 0.044 -4.636 1.00 0.00 C ATOM 105 C PHE A 9 -8.216 -0.950 -5.720 1.00 0.00 C ATOM 106 O PHE A 9 -9.350 -0.946 -6.197 1.00 0.00 O ATOM 107 CB PHE A 9 -8.272 -0.468 -3.266 1.00 0.00 C ATOM 108 CG PHE A 9 -7.476 -1.642 -2.772 1.00 0.00 C ATOM 109 CD1 PHE A 9 -6.328 -1.449 -2.020 1.00 0.00 C ATOM 110 CD2 PHE A 9 -7.876 -2.937 -3.059 1.00 0.00 C ATOM 111 CE1 PHE A 9 -5.594 -2.527 -1.563 1.00 0.00 C ATOM 112 CE2 PHE A 9 -7.145 -4.019 -2.606 1.00 0.00 C ATOM 113 CZ PHE A 9 -6.003 -3.814 -1.857 1.00 0.00 C ATOM 0 H PHE A 9 -9.416 1.384 -4.881 1.00 0.00 H new ATOM 0 HA PHE A 9 -6.737 0.143 -4.637 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -8.196 0.343 -2.541 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -9.324 -0.750 -3.320 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -6.003 -0.445 -1.789 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -8.769 -3.103 -3.643 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -4.702 -2.364 -0.977 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -7.467 -5.024 -2.838 1.00 0.00 H new ATOM 0 HZ PHE A 9 -5.430 -4.658 -1.502 1.00 0.00 H new ATOM 123 N GLU A 10 -7.269 -1.796 -6.110 1.00 0.00 N ATOM 124 CA GLU A 10 -7.517 -2.790 -7.147 1.00 0.00 C ATOM 125 C GLU A 10 -7.956 -2.115 -8.441 1.00 0.00 C ATOM 126 O GLU A 10 -8.638 -2.719 -9.269 1.00 0.00 O ATOM 127 CB GLU A 10 -8.585 -3.784 -6.687 1.00 0.00 C ATOM 128 CG GLU A 10 -8.029 -4.942 -5.875 1.00 0.00 C ATOM 129 CD GLU A 10 -8.714 -6.258 -6.191 1.00 0.00 C ATOM 130 OE1 GLU A 10 -8.699 -6.666 -7.372 1.00 0.00 O ATOM 131 OE2 GLU A 10 -9.265 -6.880 -5.259 1.00 0.00 O ATOM 0 H GLU A 10 -6.325 -1.813 -5.725 1.00 0.00 H new ATOM 0 HA GLU A 10 -6.589 -3.330 -7.332 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -9.328 -3.256 -6.089 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -9.102 -4.179 -7.561 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -6.961 -5.037 -6.069 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -8.142 -4.724 -4.813 1.00 0.00 H new ATOM 138 N LYS A 11 -7.562 -0.854 -8.607 1.00 0.00 N ATOM 139 CA LYS A 11 -7.913 -0.092 -9.793 1.00 0.00 C ATOM 140 C LYS A 11 -9.418 0.103 -9.876 1.00 0.00 C ATOM 141 O LYS A 11 -10.014 0.030 -10.951 1.00 0.00 O ATOM 142 CB LYS A 11 -7.378 -0.786 -11.044 1.00 0.00 C ATOM 143 CG LYS A 11 -5.983 -1.364 -10.856 1.00 0.00 C ATOM 144 CD LYS A 11 -4.956 -0.278 -10.566 1.00 0.00 C ATOM 145 CE LYS A 11 -3.591 -0.640 -11.128 1.00 0.00 C ATOM 146 NZ LYS A 11 -2.755 -1.367 -10.132 1.00 0.00 N ATOM 0 H LYS A 11 -6.998 -0.341 -7.930 1.00 0.00 H new ATOM 0 HA LYS A 11 -7.452 0.893 -9.727 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -8.061 -1.586 -11.328 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -7.361 -0.073 -11.869 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -5.994 -2.082 -10.036 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -5.692 -1.910 -11.753 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -5.290 0.665 -10.998 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -4.879 -0.126 -9.489 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -3.717 -1.258 -12.017 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -3.075 0.268 -11.441 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -2.031 -1.925 -10.628 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -2.293 -0.682 -9.501 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -3.357 -2.003 -9.571 1.00 0.00 H new ATOM 160 N VAL A 12 -10.019 0.362 -8.722 1.00 0.00 N ATOM 161 CA VAL A 12 -11.449 0.585 -8.626 1.00 0.00 C ATOM 162 C VAL A 12 -11.740 1.662 -7.581 1.00 0.00 C ATOM 163 O VAL A 12 -11.579 1.434 -6.382 1.00 0.00 O ATOM 164 CB VAL A 12 -12.177 -0.726 -8.264 1.00 0.00 C ATOM 165 CG1 VAL A 12 -13.504 -0.459 -7.563 1.00 0.00 C ATOM 166 CG2 VAL A 12 -12.390 -1.573 -9.510 1.00 0.00 C ATOM 0 H VAL A 12 -9.527 0.423 -7.830 1.00 0.00 H new ATOM 0 HA VAL A 12 -11.817 0.925 -9.594 1.00 0.00 H new ATOM 0 HB VAL A 12 -11.545 -1.276 -7.567 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -13.987 -1.407 -7.324 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -13.324 0.098 -6.644 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -14.152 0.123 -8.219 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -12.905 -2.495 -9.240 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -12.993 -1.018 -10.228 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -11.425 -1.814 -9.956 1.00 0.00 H new ATOM 176 N SER A 13 -12.150 2.841 -8.052 1.00 0.00 N ATOM 177 CA SER A 13 -12.448 3.976 -7.176 1.00 0.00 C ATOM 178 C SER A 13 -13.127 3.539 -5.881 1.00 0.00 C ATOM 179 O SER A 13 -14.163 2.876 -5.900 1.00 0.00 O ATOM 180 CB SER A 13 -13.328 4.984 -7.911 1.00 0.00 C ATOM 181 OG SER A 13 -12.959 5.083 -9.276 1.00 0.00 O ATOM 0 H SER A 13 -12.284 3.036 -9.044 1.00 0.00 H new ATOM 0 HA SER A 13 -11.499 4.441 -6.908 1.00 0.00 H new ATOM 0 HB2 SER A 13 -14.373 4.683 -7.834 1.00 0.00 H new ATOM 0 HB3 SER A 13 -13.242 5.961 -7.436 1.00 0.00 H new ATOM 0 HG SER A 13 -13.538 5.733 -9.725 1.00 0.00 H new ATOM 187 N GLY A 14 -12.528 3.922 -4.756 1.00 0.00 N ATOM 188 CA GLY A 14 -13.080 3.569 -3.463 1.00 0.00 C ATOM 189 C GLY A 14 -12.640 4.514 -2.363 1.00 0.00 C ATOM 190 O GLY A 14 -12.148 5.609 -2.635 1.00 0.00 O ATOM 0 H GLY A 14 -11.669 4.471 -4.719 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -14.168 3.570 -3.524 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -12.776 2.554 -3.208 1.00 0.00 H new ATOM 194 N ILE A 15 -12.827 4.090 -1.118 1.00 0.00 N ATOM 195 CA ILE A 15 -12.459 4.900 0.034 1.00 0.00 C ATOM 196 C ILE A 15 -11.723 4.079 1.089 1.00 0.00 C ATOM 197 O ILE A 15 -11.943 2.875 1.216 1.00 0.00 O ATOM 198 CB ILE A 15 -13.691 5.548 0.679 1.00 0.00 C ATOM 199 CG1 ILE A 15 -14.572 6.218 -0.380 1.00 0.00 C ATOM 200 CG2 ILE A 15 -13.251 6.554 1.725 1.00 0.00 C ATOM 201 CD1 ILE A 15 -13.838 7.220 -1.243 1.00 0.00 C ATOM 0 H ILE A 15 -13.234 3.185 -0.882 1.00 0.00 H new ATOM 0 HA ILE A 15 -11.794 5.680 -0.337 1.00 0.00 H new ATOM 0 HB ILE A 15 -14.284 4.771 1.162 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -15.003 5.448 -1.020 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -15.402 6.720 0.117 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -14.129 7.012 2.181 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -12.666 6.048 2.493 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -12.642 7.326 1.254 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -14.529 7.651 -1.968 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -13.431 8.012 -0.615 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -13.025 6.720 -1.769 1.00 0.00 H new ATOM 213 N ILE A 16 -10.850 4.739 1.849 1.00 0.00 N ATOM 214 CA ILE A 16 -10.081 4.064 2.890 1.00 0.00 C ATOM 215 C ILE A 16 -10.489 4.529 4.285 1.00 0.00 C ATOM 216 O ILE A 16 -10.870 5.682 4.487 1.00 0.00 O ATOM 217 CB ILE A 16 -8.558 4.292 2.744 1.00 0.00 C ATOM 218 CG1 ILE A 16 -8.188 4.755 1.332 1.00 0.00 C ATOM 219 CG2 ILE A 16 -7.797 3.026 3.111 1.00 0.00 C ATOM 220 CD1 ILE A 16 -7.686 6.182 1.284 1.00 0.00 C ATOM 0 H ILE A 16 -10.659 5.737 1.763 1.00 0.00 H new ATOM 0 HA ILE A 16 -10.302 3.004 2.766 1.00 0.00 H new ATOM 0 HB ILE A 16 -8.273 5.087 3.433 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -7.421 4.093 0.929 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -9.061 4.662 0.686 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -6.726 3.201 3.004 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -8.019 2.755 4.143 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -8.100 2.215 2.449 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -7.441 6.447 0.255 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -8.460 6.853 1.658 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -6.795 6.275 1.904 1.00 0.00 H new ATOM 232 N ALA A 17 -10.380 3.619 5.245 1.00 0.00 N ATOM 233 CA ALA A 17 -10.705 3.908 6.634 1.00 0.00 C ATOM 234 C ALA A 17 -9.723 3.192 7.556 1.00 0.00 C ATOM 235 O ALA A 17 -9.579 1.971 7.490 1.00 0.00 O ATOM 236 CB ALA A 17 -12.134 3.493 6.946 1.00 0.00 C ATOM 0 H ALA A 17 -10.065 2.663 5.082 1.00 0.00 H new ATOM 0 HA ALA A 17 -10.622 4.982 6.799 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -12.358 3.717 7.989 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -12.821 4.041 6.301 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -12.248 2.423 6.772 1.00 0.00 H new ATOM 242 N ILE A 18 -9.035 3.952 8.403 1.00 0.00 N ATOM 243 CA ILE A 18 -8.058 3.378 9.314 1.00 0.00 C ATOM 244 C ILE A 18 -8.685 3.078 10.674 1.00 0.00 C ATOM 245 O ILE A 18 -9.398 3.908 11.238 1.00 0.00 O ATOM 246 CB ILE A 18 -6.844 4.326 9.487 1.00 0.00 C ATOM 247 CG1 ILE A 18 -5.601 3.742 8.812 1.00 0.00 C ATOM 248 CG2 ILE A 18 -6.573 4.610 10.957 1.00 0.00 C ATOM 249 CD1 ILE A 18 -5.256 4.419 7.502 1.00 0.00 C ATOM 0 H ILE A 18 -9.138 4.964 8.475 1.00 0.00 H new ATOM 0 HA ILE A 18 -7.712 2.440 8.879 1.00 0.00 H new ATOM 0 HB ILE A 18 -7.087 5.272 9.002 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -4.753 3.828 9.492 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -5.759 2.679 8.633 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -5.716 5.278 11.047 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -7.448 5.081 11.404 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -6.360 3.675 11.475 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -4.365 3.957 7.077 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -6.088 4.311 6.806 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -5.066 5.478 7.679 1.00 0.00 H new ATOM 261 N ASN A 19 -8.403 1.890 11.195 1.00 0.00 N ATOM 262 CA ASN A 19 -8.921 1.478 12.485 1.00 0.00 C ATOM 263 C ASN A 19 -7.794 1.377 13.507 1.00 0.00 C ATOM 264 O ASN A 19 -7.322 0.284 13.819 1.00 0.00 O ATOM 265 CB ASN A 19 -9.645 0.135 12.366 1.00 0.00 C ATOM 266 CG ASN A 19 -10.299 -0.287 13.667 1.00 0.00 C ATOM 267 OD1 ASN A 19 -9.649 -0.853 14.547 1.00 0.00 O ATOM 268 ND2 ASN A 19 -11.592 -0.013 13.796 1.00 0.00 N ATOM 0 H ASN A 19 -7.814 1.194 10.737 1.00 0.00 H new ATOM 0 HA ASN A 19 -9.632 2.231 12.824 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -10.404 0.202 11.586 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -8.935 -0.631 12.054 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -12.086 -0.273 14.650 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -12.091 0.458 13.041 1.00 0.00 H new ATOM 275 N GLU A 20 -7.363 2.525 14.023 1.00 0.00 N ATOM 276 CA GLU A 20 -6.285 2.562 15.005 1.00 0.00 C ATOM 277 C GLU A 20 -6.827 2.490 16.431 1.00 0.00 C ATOM 278 O GLU A 20 -6.151 2.890 17.379 1.00 0.00 O ATOM 279 CB GLU A 20 -5.445 3.829 14.832 1.00 0.00 C ATOM 280 CG GLU A 20 -4.462 3.754 13.676 1.00 0.00 C ATOM 281 CD GLU A 20 -3.855 5.102 13.339 1.00 0.00 C ATOM 282 OE1 GLU A 20 -4.596 5.981 12.850 1.00 0.00 O ATOM 283 OE2 GLU A 20 -2.640 5.279 13.565 1.00 0.00 O ATOM 0 H GLU A 20 -7.743 3.439 13.778 1.00 0.00 H new ATOM 0 HA GLU A 20 -5.655 1.689 14.835 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -6.111 4.678 14.677 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -4.895 4.019 15.754 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -3.665 3.053 13.926 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -4.970 3.358 12.797 1.00 0.00 H new ATOM 290 N ASP A 21 -8.039 1.964 16.582 1.00 0.00 N ATOM 291 CA ASP A 21 -8.647 1.826 17.897 1.00 0.00 C ATOM 292 C ASP A 21 -8.035 0.638 18.627 1.00 0.00 C ATOM 293 O ASP A 21 -8.002 0.596 19.856 1.00 0.00 O ATOM 294 CB ASP A 21 -10.161 1.643 17.770 1.00 0.00 C ATOM 295 CG ASP A 21 -10.917 2.250 18.936 1.00 0.00 C ATOM 296 OD1 ASP A 21 -10.642 3.420 19.276 1.00 0.00 O ATOM 297 OD2 ASP A 21 -11.782 1.555 19.509 1.00 0.00 O ATOM 0 H ASP A 21 -8.616 1.628 15.811 1.00 0.00 H new ATOM 0 HA ASP A 21 -8.456 2.734 18.469 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -10.503 2.100 16.841 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -10.391 0.580 17.705 1.00 0.00 H new ATOM 302 N VAL A 22 -7.540 -0.321 17.850 1.00 0.00 N ATOM 303 CA VAL A 22 -6.915 -1.510 18.402 1.00 0.00 C ATOM 304 C VAL A 22 -5.396 -1.349 18.431 1.00 0.00 C ATOM 305 O VAL A 22 -4.820 -0.695 17.561 1.00 0.00 O ATOM 306 CB VAL A 22 -7.291 -2.765 17.585 1.00 0.00 C ATOM 307 CG1 VAL A 22 -6.723 -2.685 16.174 1.00 0.00 C ATOM 308 CG2 VAL A 22 -6.823 -4.031 18.291 1.00 0.00 C ATOM 0 H VAL A 22 -7.562 -0.293 16.831 1.00 0.00 H new ATOM 0 HA VAL A 22 -7.282 -1.637 19.421 1.00 0.00 H new ATOM 0 HB VAL A 22 -8.377 -2.805 17.507 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -7.001 -3.580 15.618 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -7.124 -1.806 15.670 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -5.637 -2.611 16.223 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -7.099 -4.902 17.697 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -5.740 -4.002 18.411 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -7.295 -4.096 19.271 1.00 0.00 H new ATOM 318 N SER A 23 -4.754 -1.934 19.439 1.00 0.00 N ATOM 319 CA SER A 23 -3.300 -1.844 19.588 1.00 0.00 C ATOM 320 C SER A 23 -2.579 -2.026 18.250 1.00 0.00 C ATOM 321 O SER A 23 -1.919 -1.106 17.765 1.00 0.00 O ATOM 322 CB SER A 23 -2.805 -2.885 20.595 1.00 0.00 C ATOM 323 OG SER A 23 -2.751 -2.344 21.904 1.00 0.00 O ATOM 0 H SER A 23 -5.217 -2.477 20.168 1.00 0.00 H new ATOM 0 HA SER A 23 -3.069 -0.845 19.957 1.00 0.00 H new ATOM 0 HB2 SER A 23 -3.467 -3.751 20.583 1.00 0.00 H new ATOM 0 HB3 SER A 23 -1.816 -3.237 20.302 1.00 0.00 H new ATOM 0 HG SER A 23 -2.434 -3.029 22.528 1.00 0.00 H new ATOM 329 N PRO A 24 -2.691 -3.216 17.634 1.00 0.00 N ATOM 330 CA PRO A 24 -2.042 -3.507 16.350 1.00 0.00 C ATOM 331 C PRO A 24 -2.449 -2.529 15.250 1.00 0.00 C ATOM 332 O PRO A 24 -1.663 -2.225 14.355 1.00 0.00 O ATOM 333 CB PRO A 24 -2.521 -4.927 16.009 1.00 0.00 C ATOM 334 CG PRO A 24 -3.698 -5.170 16.890 1.00 0.00 C ATOM 335 CD PRO A 24 -3.450 -4.371 18.135 1.00 0.00 C ATOM 0 HA PRO A 24 -0.958 -3.416 16.422 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -2.795 -5.007 14.957 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -1.736 -5.661 16.191 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -4.622 -4.858 16.403 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -3.802 -6.230 17.120 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -4.381 -4.067 18.613 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -2.883 -4.938 18.874 1.00 0.00 H new ATOM 343 N ALA A 25 -3.679 -2.036 15.322 1.00 0.00 N ATOM 344 CA ALA A 25 -4.185 -1.094 14.331 1.00 0.00 C ATOM 345 C ALA A 25 -4.180 -1.707 12.934 1.00 0.00 C ATOM 346 O ALA A 25 -3.348 -2.559 12.622 1.00 0.00 O ATOM 347 CB ALA A 25 -3.358 0.180 14.358 1.00 0.00 C ATOM 0 H ALA A 25 -4.345 -2.273 16.057 1.00 0.00 H new ATOM 0 HA ALA A 25 -5.218 -0.852 14.583 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -3.742 0.879 13.615 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -3.419 0.633 15.348 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -2.318 -0.056 14.131 1.00 0.00 H new ATOM 353 N GLU A 26 -5.116 -1.273 12.095 1.00 0.00 N ATOM 354 CA GLU A 26 -5.218 -1.786 10.736 1.00 0.00 C ATOM 355 C GLU A 26 -5.847 -0.759 9.797 1.00 0.00 C ATOM 356 O GLU A 26 -6.442 0.224 10.240 1.00 0.00 O ATOM 357 CB GLU A 26 -6.040 -3.078 10.711 1.00 0.00 C ATOM 358 CG GLU A 26 -5.755 -4.010 11.878 1.00 0.00 C ATOM 359 CD GLU A 26 -6.468 -5.342 11.747 1.00 0.00 C ATOM 360 OE1 GLU A 26 -6.783 -5.737 10.605 1.00 0.00 O ATOM 361 OE2 GLU A 26 -6.712 -5.989 12.788 1.00 0.00 O ATOM 0 H GLU A 26 -5.813 -0.568 12.334 1.00 0.00 H new ATOM 0 HA GLU A 26 -4.206 -1.995 10.388 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -7.100 -2.823 10.712 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -5.840 -3.607 9.779 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -4.681 -4.182 11.947 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -6.061 -3.528 12.807 1.00 0.00 H new ATOM 368 N LEU A 27 -5.718 -1.006 8.496 1.00 0.00 N ATOM 369 CA LEU A 27 -6.274 -0.127 7.481 1.00 0.00 C ATOM 370 C LEU A 27 -7.376 -0.853 6.711 1.00 0.00 C ATOM 371 O LEU A 27 -7.137 -1.905 6.118 1.00 0.00 O ATOM 372 CB LEU A 27 -5.179 0.335 6.518 1.00 0.00 C ATOM 373 CG LEU A 27 -5.661 1.215 5.363 1.00 0.00 C ATOM 374 CD1 LEU A 27 -4.590 2.226 4.979 1.00 0.00 C ATOM 375 CD2 LEU A 27 -6.043 0.359 4.165 1.00 0.00 C ATOM 0 H LEU A 27 -5.227 -1.818 8.121 1.00 0.00 H new ATOM 0 HA LEU A 27 -6.699 0.749 7.971 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -4.427 0.885 7.084 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -4.686 -0.544 6.103 1.00 0.00 H new ATOM 0 HG LEU A 27 -6.546 1.761 5.691 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -4.951 2.843 4.156 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -4.364 2.860 5.836 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -3.687 1.700 4.669 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -6.384 1.001 3.353 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -5.176 -0.214 3.836 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -6.844 -0.325 4.447 1.00 0.00 H new ATOM 387 N THR A 28 -8.583 -0.298 6.735 1.00 0.00 N ATOM 388 CA THR A 28 -9.718 -0.910 6.049 1.00 0.00 C ATOM 389 C THR A 28 -10.182 -0.063 4.869 1.00 0.00 C ATOM 390 O THR A 28 -10.496 1.115 5.028 1.00 0.00 O ATOM 391 CB THR A 28 -10.878 -1.107 7.025 1.00 0.00 C ATOM 392 OG1 THR A 28 -10.453 -1.816 8.176 1.00 0.00 O ATOM 393 CG2 THR A 28 -12.044 -1.862 6.425 1.00 0.00 C ATOM 0 H THR A 28 -8.802 0.572 7.220 1.00 0.00 H new ATOM 0 HA THR A 28 -9.391 -1.877 5.667 1.00 0.00 H new ATOM 0 HB THR A 28 -11.211 -0.101 7.282 1.00 0.00 H new ATOM 0 HG1 THR A 28 -11.210 -1.930 8.788 1.00 0.00 H new ATOM 0 HG21 THR A 28 -12.832 -1.967 7.171 1.00 0.00 H new ATOM 0 HG22 THR A 28 -12.429 -1.314 5.565 1.00 0.00 H new ATOM 0 HG23 THR A 28 -11.712 -2.850 6.106 1.00 0.00 H new ATOM 401 N TRP A 29 -10.234 -0.672 3.688 1.00 0.00 N ATOM 402 CA TRP A 29 -10.674 0.037 2.487 1.00 0.00 C ATOM 403 C TRP A 29 -11.780 -0.719 1.763 1.00 0.00 C ATOM 404 O TRP A 29 -11.749 -1.943 1.664 1.00 0.00 O ATOM 405 CB TRP A 29 -9.516 0.271 1.510 1.00 0.00 C ATOM 406 CG TRP A 29 -9.984 0.789 0.176 1.00 0.00 C ATOM 407 CD1 TRP A 29 -9.904 2.074 -0.278 1.00 0.00 C ATOM 408 CD2 TRP A 29 -10.625 0.035 -0.865 1.00 0.00 C ATOM 409 NE1 TRP A 29 -10.464 2.170 -1.531 1.00 0.00 N ATOM 410 CE2 TRP A 29 -10.902 0.930 -1.917 1.00 0.00 C ATOM 411 CE3 TRP A 29 -10.990 -1.309 -1.012 1.00 0.00 C ATOM 412 CZ2 TRP A 29 -11.524 0.524 -3.096 1.00 0.00 C ATOM 413 CZ3 TRP A 29 -11.610 -1.706 -2.184 1.00 0.00 C ATOM 414 CH2 TRP A 29 -11.869 -0.793 -3.211 1.00 0.00 C ATOM 0 H TRP A 29 -9.979 -1.648 3.535 1.00 0.00 H new ATOM 0 HA TRP A 29 -11.057 1.000 2.826 1.00 0.00 H new ATOM 0 HB2 TRP A 29 -8.814 0.982 1.947 1.00 0.00 H new ATOM 0 HB3 TRP A 29 -8.974 -0.663 1.364 1.00 0.00 H new ATOM 0 HD1 TRP A 29 -9.465 2.896 0.267 1.00 0.00 H new ATOM 0 HE1 TRP A 29 -10.541 3.025 -2.083 1.00 0.00 H new ATOM 0 HE3 TRP A 29 -10.791 -2.022 -0.226 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 -11.726 1.226 -3.891 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 -11.899 -2.739 -2.308 1.00 0.00 H new ATOM 0 HH2 TRP A 29 -12.352 -1.136 -4.114 1.00 0.00 H new ATOM 425 N ARG A 30 -12.737 0.031 1.229 1.00 0.00 N ATOM 426 CA ARG A 30 -13.838 -0.555 0.470 1.00 0.00 C ATOM 427 C ARG A 30 -14.181 0.316 -0.729 1.00 0.00 C ATOM 428 O ARG A 30 -13.919 1.518 -0.729 1.00 0.00 O ATOM 429 CB ARG A 30 -15.084 -0.741 1.340 1.00 0.00 C ATOM 430 CG ARG A 30 -15.768 0.555 1.720 1.00 0.00 C ATOM 431 CD ARG A 30 -14.993 1.307 2.789 1.00 0.00 C ATOM 432 NE ARG A 30 -15.857 2.192 3.568 1.00 0.00 N ATOM 433 CZ ARG A 30 -15.604 2.568 4.820 1.00 0.00 C ATOM 434 NH1 ARG A 30 -14.507 2.150 5.440 1.00 0.00 N ATOM 435 NH2 ARG A 30 -16.449 3.370 5.454 1.00 0.00 N ATOM 0 H ARG A 30 -12.774 1.047 1.307 1.00 0.00 H new ATOM 0 HA ARG A 30 -13.510 -1.536 0.125 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -15.795 -1.373 0.808 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -14.804 -1.272 2.249 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -15.873 1.184 0.836 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -16.774 0.343 2.081 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -14.509 0.594 3.456 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -14.202 1.892 2.320 1.00 0.00 H new ATOM 0 HE ARG A 30 -16.706 2.543 3.125 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -13.851 1.536 4.957 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -14.320 2.443 6.399 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -17.292 3.698 4.982 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -16.256 3.659 6.413 1.00 0.00 H new ATOM 449 N SER A 31 -14.782 -0.292 -1.743 1.00 0.00 N ATOM 450 CA SER A 31 -15.173 0.443 -2.940 1.00 0.00 C ATOM 451 C SER A 31 -16.043 1.639 -2.561 1.00 0.00 C ATOM 452 O SER A 31 -16.503 1.742 -1.424 1.00 0.00 O ATOM 453 CB SER A 31 -15.930 -0.471 -3.905 1.00 0.00 C ATOM 454 OG SER A 31 -15.052 -1.045 -4.858 1.00 0.00 O ATOM 0 H SER A 31 -15.009 -1.286 -1.762 1.00 0.00 H new ATOM 0 HA SER A 31 -14.272 0.803 -3.436 1.00 0.00 H new ATOM 0 HB2 SER A 31 -16.431 -1.261 -3.345 1.00 0.00 H new ATOM 0 HB3 SER A 31 -16.706 0.098 -4.417 1.00 0.00 H new ATOM 0 HG SER A 31 -15.560 -1.626 -5.462 1.00 0.00 H new ATOM 460 N THR A 32 -16.271 2.537 -3.511 1.00 0.00 N ATOM 461 CA THR A 32 -17.091 3.711 -3.254 1.00 0.00 C ATOM 462 C THR A 32 -18.518 3.302 -2.938 1.00 0.00 C ATOM 463 O THR A 32 -19.228 3.981 -2.196 1.00 0.00 O ATOM 464 CB THR A 32 -17.073 4.656 -4.446 1.00 0.00 C ATOM 465 OG1 THR A 32 -15.864 4.531 -5.174 1.00 0.00 O ATOM 466 CG2 THR A 32 -17.232 6.109 -4.057 1.00 0.00 C ATOM 0 H THR A 32 -15.902 2.475 -4.460 1.00 0.00 H new ATOM 0 HA THR A 32 -16.673 4.232 -2.393 1.00 0.00 H new ATOM 0 HB THR A 32 -17.927 4.365 -5.057 1.00 0.00 H new ATOM 0 HG1 THR A 32 -15.885 3.706 -5.703 1.00 0.00 H new ATOM 0 HG21 THR A 32 -17.211 6.730 -4.953 1.00 0.00 H new ATOM 0 HG22 THR A 32 -18.183 6.246 -3.543 1.00 0.00 H new ATOM 0 HG23 THR A 32 -16.417 6.400 -3.395 1.00 0.00 H new ATOM 474 N ASP A 33 -18.921 2.177 -3.503 1.00 0.00 N ATOM 475 CA ASP A 33 -20.254 1.644 -3.294 1.00 0.00 C ATOM 476 C ASP A 33 -20.431 0.367 -4.101 1.00 0.00 C ATOM 477 O ASP A 33 -21.434 0.189 -4.793 1.00 0.00 O ATOM 478 CB ASP A 33 -21.317 2.672 -3.689 1.00 0.00 C ATOM 479 CG ASP A 33 -22.500 2.674 -2.741 1.00 0.00 C ATOM 480 OD1 ASP A 33 -22.325 2.270 -1.572 1.00 0.00 O ATOM 481 OD2 ASP A 33 -23.602 3.080 -3.168 1.00 0.00 O ATOM 0 H ASP A 33 -18.336 1.610 -4.117 1.00 0.00 H new ATOM 0 HA ASP A 33 -20.377 1.418 -2.235 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -20.869 3.665 -3.708 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -21.665 2.460 -4.700 1.00 0.00 H new ATOM 486 N GLY A 34 -19.442 -0.518 -4.016 1.00 0.00 N ATOM 487 CA GLY A 34 -19.506 -1.764 -4.759 1.00 0.00 C ATOM 488 C GLY A 34 -19.572 -2.981 -3.862 1.00 0.00 C ATOM 489 O GLY A 34 -19.145 -4.068 -4.252 1.00 0.00 O ATOM 0 H GLY A 34 -18.602 -0.396 -3.450 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -20.381 -1.750 -5.408 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -18.631 -1.842 -5.405 1.00 0.00 H new ATOM 493 N ASP A 35 -20.105 -2.801 -2.657 1.00 0.00 N ATOM 494 CA ASP A 35 -20.221 -3.896 -1.698 1.00 0.00 C ATOM 495 C ASP A 35 -18.929 -4.700 -1.638 1.00 0.00 C ATOM 496 O ASP A 35 -18.942 -5.911 -1.417 1.00 0.00 O ATOM 497 CB ASP A 35 -21.393 -4.808 -2.065 1.00 0.00 C ATOM 498 CG ASP A 35 -21.958 -5.538 -0.862 1.00 0.00 C ATOM 499 OD1 ASP A 35 -22.704 -4.909 -0.083 1.00 0.00 O ATOM 500 OD2 ASP A 35 -21.653 -6.738 -0.699 1.00 0.00 O ATOM 0 H ASP A 35 -20.464 -1.907 -2.321 1.00 0.00 H new ATOM 0 HA ASP A 35 -20.407 -3.466 -0.714 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -22.181 -4.214 -2.529 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -21.065 -5.536 -2.807 1.00 0.00 H new ATOM 505 N LYS A 36 -17.817 -4.007 -1.836 1.00 0.00 N ATOM 506 CA LYS A 36 -16.509 -4.626 -1.810 1.00 0.00 C ATOM 507 C LYS A 36 -15.639 -3.979 -0.748 1.00 0.00 C ATOM 508 O LYS A 36 -15.623 -2.759 -0.612 1.00 0.00 O ATOM 509 CB LYS A 36 -15.830 -4.502 -3.169 1.00 0.00 C ATOM 510 CG LYS A 36 -16.200 -5.609 -4.139 1.00 0.00 C ATOM 511 CD LYS A 36 -14.970 -6.164 -4.833 1.00 0.00 C ATOM 512 CE LYS A 36 -15.292 -6.648 -6.238 1.00 0.00 C ATOM 513 NZ LYS A 36 -15.958 -5.593 -7.050 1.00 0.00 N ATOM 0 H LYS A 36 -17.801 -3.004 -2.018 1.00 0.00 H new ATOM 0 HA LYS A 36 -16.639 -5.682 -1.573 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -16.094 -3.541 -3.611 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -14.749 -4.502 -3.027 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -16.711 -6.409 -3.604 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -16.899 -5.226 -4.883 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -14.200 -5.394 -4.880 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -14.562 -6.988 -4.248 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -14.373 -6.961 -6.733 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -15.938 -7.524 -6.181 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -15.676 -5.692 -8.046 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -16.990 -5.693 -6.970 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -15.674 -4.655 -6.701 1.00 0.00 H new ATOM 527 N VAL A 37 -14.912 -4.796 -0.002 1.00 0.00 N ATOM 528 CA VAL A 37 -14.042 -4.289 1.041 1.00 0.00 C ATOM 529 C VAL A 37 -12.778 -5.125 1.166 1.00 0.00 C ATOM 530 O VAL A 37 -12.758 -6.307 0.820 1.00 0.00 O ATOM 531 CB VAL A 37 -14.744 -4.248 2.414 1.00 0.00 C ATOM 532 CG1 VAL A 37 -14.010 -3.313 3.363 1.00 0.00 C ATOM 533 CG2 VAL A 37 -16.204 -3.834 2.274 1.00 0.00 C ATOM 0 H VAL A 37 -14.909 -5.811 -0.101 1.00 0.00 H new ATOM 0 HA VAL A 37 -13.781 -3.272 0.747 1.00 0.00 H new ATOM 0 HB VAL A 37 -14.720 -5.254 2.833 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -14.520 -3.298 4.326 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -12.987 -3.663 3.500 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -13.996 -2.307 2.944 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -16.673 -3.814 3.258 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -16.260 -2.842 1.826 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -16.726 -4.549 1.638 1.00 0.00 H new ATOM 543 N HIS A 38 -11.730 -4.497 1.673 1.00 0.00 N ATOM 544 CA HIS A 38 -10.450 -5.162 1.867 1.00 0.00 C ATOM 545 C HIS A 38 -9.670 -4.482 2.985 1.00 0.00 C ATOM 546 O HIS A 38 -9.293 -3.316 2.873 1.00 0.00 O ATOM 547 CB HIS A 38 -9.637 -5.142 0.572 1.00 0.00 C ATOM 548 CG HIS A 38 -10.017 -6.225 -0.389 1.00 0.00 C ATOM 549 ND1 HIS A 38 -10.808 -6.005 -1.498 1.00 0.00 N ATOM 550 CD2 HIS A 38 -9.711 -7.544 -0.405 1.00 0.00 C ATOM 551 CE1 HIS A 38 -10.972 -7.141 -2.152 1.00 0.00 C ATOM 552 NE2 HIS A 38 -10.316 -8.090 -1.510 1.00 0.00 N ATOM 0 H HIS A 38 -11.741 -3.518 1.960 1.00 0.00 H new ATOM 0 HA HIS A 38 -10.636 -6.199 2.146 1.00 0.00 H new ATOM 0 HB2 HIS A 38 -9.766 -4.175 0.086 1.00 0.00 H new ATOM 0 HB3 HIS A 38 -8.579 -5.238 0.815 1.00 0.00 H new ATOM 0 HD2 HIS A 38 -9.104 -8.069 0.317 1.00 0.00 H new ATOM 0 HE1 HIS A 38 -11.545 -7.271 -3.058 1.00 0.00 H new ATOM 0 HE2 HIS A 38 -10.267 -9.070 -1.790 1.00 0.00 H new ATOM 561 N THR A 39 -9.438 -5.216 4.065 1.00 0.00 N ATOM 562 CA THR A 39 -8.714 -4.687 5.205 1.00 0.00 C ATOM 563 C THR A 39 -7.381 -5.406 5.383 1.00 0.00 C ATOM 564 O THR A 39 -7.300 -6.625 5.231 1.00 0.00 O ATOM 565 CB THR A 39 -9.551 -4.827 6.478 1.00 0.00 C ATOM 566 OG1 THR A 39 -10.883 -4.390 6.262 1.00 0.00 O ATOM 567 CG2 THR A 39 -8.994 -4.046 7.647 1.00 0.00 C ATOM 0 H THR A 39 -9.744 -6.183 4.172 1.00 0.00 H new ATOM 0 HA THR A 39 -8.518 -3.631 5.020 1.00 0.00 H new ATOM 0 HB THR A 39 -9.524 -5.889 6.723 1.00 0.00 H new ATOM 0 HG1 THR A 39 -11.358 -4.354 7.118 1.00 0.00 H new ATOM 0 HG21 THR A 39 -9.634 -4.188 8.518 1.00 0.00 H new ATOM 0 HG22 THR A 39 -7.988 -4.399 7.874 1.00 0.00 H new ATOM 0 HG23 THR A 39 -8.958 -2.987 7.393 1.00 0.00 H new ATOM 575 N VAL A 40 -6.339 -4.651 5.712 1.00 0.00 N ATOM 576 CA VAL A 40 -5.018 -5.230 5.914 1.00 0.00 C ATOM 577 C VAL A 40 -4.450 -4.843 7.277 1.00 0.00 C ATOM 578 O VAL A 40 -4.622 -3.715 7.738 1.00 0.00 O ATOM 579 CB VAL A 40 -4.030 -4.808 4.803 1.00 0.00 C ATOM 580 CG1 VAL A 40 -4.706 -4.845 3.440 1.00 0.00 C ATOM 581 CG2 VAL A 40 -3.454 -3.426 5.079 1.00 0.00 C ATOM 0 H VAL A 40 -6.384 -3.641 5.844 1.00 0.00 H new ATOM 0 HA VAL A 40 -5.140 -6.312 5.873 1.00 0.00 H new ATOM 0 HB VAL A 40 -3.206 -5.521 4.798 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -3.993 -4.545 2.672 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -5.056 -5.857 3.235 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -5.554 -4.160 3.436 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -2.762 -3.154 4.282 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -4.263 -2.697 5.122 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -2.924 -3.436 6.031 1.00 0.00 H new ATOM 591 N VAL A 41 -3.773 -5.789 7.914 1.00 0.00 N ATOM 592 CA VAL A 41 -3.176 -5.562 9.222 1.00 0.00 C ATOM 593 C VAL A 41 -1.654 -5.569 9.135 1.00 0.00 C ATOM 594 O VAL A 41 -1.070 -6.394 8.435 1.00 0.00 O ATOM 595 CB VAL A 41 -3.633 -6.637 10.227 1.00 0.00 C ATOM 596 CG1 VAL A 41 -3.021 -7.991 9.892 1.00 0.00 C ATOM 597 CG2 VAL A 41 -3.289 -6.224 11.651 1.00 0.00 C ATOM 0 H VAL A 41 -3.623 -6.727 7.542 1.00 0.00 H new ATOM 0 HA VAL A 41 -3.509 -4.583 9.568 1.00 0.00 H new ATOM 0 HB VAL A 41 -4.716 -6.731 10.153 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -3.359 -8.732 10.616 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -3.331 -8.293 8.892 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -1.934 -7.918 9.928 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -3.620 -6.997 12.344 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -2.211 -6.094 11.742 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -3.789 -5.285 11.888 1.00 0.00 H new ATOM 607 N LEU A 42 -1.015 -4.648 9.849 1.00 0.00 N ATOM 608 CA LEU A 42 0.440 -4.558 9.845 1.00 0.00 C ATOM 609 C LEU A 42 1.073 -5.912 10.138 1.00 0.00 C ATOM 610 O LEU A 42 2.146 -6.234 9.630 1.00 0.00 O ATOM 611 CB LEU A 42 0.905 -3.530 10.867 1.00 0.00 C ATOM 612 CG LEU A 42 1.439 -2.233 10.259 1.00 0.00 C ATOM 613 CD1 LEU A 42 0.875 -1.026 10.986 1.00 0.00 C ATOM 614 CD2 LEU A 42 2.960 -2.214 10.287 1.00 0.00 C ATOM 0 H LEU A 42 -1.480 -3.956 10.436 1.00 0.00 H new ATOM 0 HA LEU A 42 0.758 -4.242 8.851 1.00 0.00 H new ATOM 0 HB2 LEU A 42 0.073 -3.291 11.529 1.00 0.00 H new ATOM 0 HB3 LEU A 42 1.685 -3.976 11.484 1.00 0.00 H new ATOM 0 HG LEU A 42 1.115 -2.186 9.219 1.00 0.00 H new ATOM 0 HD11 LEU A 42 1.268 -0.114 10.537 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -0.212 -1.029 10.908 1.00 0.00 H new ATOM 0 HD13 LEU A 42 1.163 -1.066 12.036 1.00 0.00 H new ATOM 0 HD21 LEU A 42 3.320 -1.283 9.850 1.00 0.00 H new ATOM 0 HD22 LEU A 42 3.306 -2.289 11.318 1.00 0.00 H new ATOM 0 HD23 LEU A 42 3.345 -3.057 9.713 1.00 0.00 H new ATOM 626 N SER A 43 0.394 -6.708 10.952 1.00 0.00 N ATOM 627 CA SER A 43 0.884 -8.038 11.303 1.00 0.00 C ATOM 628 C SER A 43 1.319 -8.805 10.053 1.00 0.00 C ATOM 629 O SER A 43 2.183 -9.679 10.119 1.00 0.00 O ATOM 630 CB SER A 43 -0.196 -8.824 12.049 1.00 0.00 C ATOM 631 OG SER A 43 0.380 -9.749 12.955 1.00 0.00 O ATOM 0 H SER A 43 -0.497 -6.459 11.382 1.00 0.00 H new ATOM 0 HA SER A 43 1.750 -7.919 11.955 1.00 0.00 H new ATOM 0 HB2 SER A 43 -0.843 -8.134 12.591 1.00 0.00 H new ATOM 0 HB3 SER A 43 -0.824 -9.354 11.333 1.00 0.00 H new ATOM 0 HG SER A 43 -0.331 -10.237 13.420 1.00 0.00 H new ATOM 637 N THR A 44 0.723 -8.459 8.912 1.00 0.00 N ATOM 638 CA THR A 44 1.053 -9.099 7.646 1.00 0.00 C ATOM 639 C THR A 44 1.880 -8.153 6.781 1.00 0.00 C ATOM 640 O THR A 44 2.584 -8.578 5.868 1.00 0.00 O ATOM 641 CB THR A 44 -0.230 -9.500 6.918 1.00 0.00 C ATOM 642 OG1 THR A 44 0.024 -10.527 5.975 1.00 0.00 O ATOM 643 CG2 THR A 44 -0.896 -8.355 6.186 1.00 0.00 C ATOM 0 H THR A 44 0.007 -7.736 8.842 1.00 0.00 H new ATOM 0 HA THR A 44 1.642 -9.995 7.842 1.00 0.00 H new ATOM 0 HB THR A 44 -0.904 -9.843 7.703 1.00 0.00 H new ATOM 0 HG1 THR A 44 -0.811 -10.769 5.522 1.00 0.00 H new ATOM 0 HG21 THR A 44 -1.799 -8.714 5.693 1.00 0.00 H new ATOM 0 HG22 THR A 44 -1.158 -7.572 6.897 1.00 0.00 H new ATOM 0 HG23 THR A 44 -0.211 -7.953 5.439 1.00 0.00 H new ATOM 651 N ILE A 45 1.767 -6.864 7.083 1.00 0.00 N ATOM 652 CA ILE A 45 2.483 -5.821 6.358 1.00 0.00 C ATOM 653 C ILE A 45 3.322 -4.976 7.320 1.00 0.00 C ATOM 654 O ILE A 45 2.793 -4.383 8.257 1.00 0.00 O ATOM 655 CB ILE A 45 1.495 -4.922 5.569 1.00 0.00 C ATOM 656 CG1 ILE A 45 2.072 -3.513 5.339 1.00 0.00 C ATOM 657 CG2 ILE A 45 0.140 -4.846 6.266 1.00 0.00 C ATOM 658 CD1 ILE A 45 1.812 -2.534 6.469 1.00 0.00 C ATOM 0 H ILE A 45 1.177 -6.513 7.837 1.00 0.00 H new ATOM 0 HA ILE A 45 3.153 -6.302 5.645 1.00 0.00 H new ATOM 0 HB ILE A 45 1.347 -5.383 4.592 1.00 0.00 H new ATOM 0 HG12 ILE A 45 3.148 -3.595 5.187 1.00 0.00 H new ATOM 0 HG13 ILE A 45 1.650 -3.107 4.419 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -0.531 -4.209 5.689 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -0.286 -5.846 6.343 1.00 0.00 H new ATOM 0 HG23 ILE A 45 0.267 -4.428 7.265 1.00 0.00 H new ATOM 0 HD11 ILE A 45 2.253 -1.568 6.222 1.00 0.00 H new ATOM 0 HD12 ILE A 45 0.737 -2.417 6.609 1.00 0.00 H new ATOM 0 HD13 ILE A 45 2.259 -2.913 7.388 1.00 0.00 H new ATOM 670 N ASP A 46 4.636 -4.932 7.096 1.00 0.00 N ATOM 671 CA ASP A 46 5.519 -4.165 7.974 1.00 0.00 C ATOM 672 C ASP A 46 6.238 -3.038 7.246 1.00 0.00 C ATOM 673 O ASP A 46 7.293 -2.579 7.685 1.00 0.00 O ATOM 674 CB ASP A 46 6.535 -5.088 8.648 1.00 0.00 C ATOM 675 CG ASP A 46 7.053 -4.521 9.955 1.00 0.00 C ATOM 676 OD1 ASP A 46 7.046 -3.281 10.109 1.00 0.00 O ATOM 677 OD2 ASP A 46 7.466 -5.316 10.825 1.00 0.00 O ATOM 0 H ASP A 46 5.106 -5.410 6.327 1.00 0.00 H new ATOM 0 HA ASP A 46 4.886 -3.704 8.732 1.00 0.00 H new ATOM 0 HB2 ASP A 46 6.074 -6.058 8.833 1.00 0.00 H new ATOM 0 HB3 ASP A 46 7.373 -5.258 7.971 1.00 0.00 H new ATOM 682 N LYS A 47 5.651 -2.577 6.156 1.00 0.00 N ATOM 683 CA LYS A 47 6.227 -1.473 5.383 1.00 0.00 C ATOM 684 C LYS A 47 5.170 -0.790 4.518 1.00 0.00 C ATOM 685 O LYS A 47 4.216 -1.423 4.065 1.00 0.00 O ATOM 686 CB LYS A 47 7.392 -1.940 4.498 1.00 0.00 C ATOM 687 CG LYS A 47 8.050 -3.235 4.947 1.00 0.00 C ATOM 688 CD LYS A 47 9.178 -3.637 4.012 1.00 0.00 C ATOM 689 CE LYS A 47 9.686 -5.036 4.319 1.00 0.00 C ATOM 690 NZ LYS A 47 10.487 -5.596 3.196 1.00 0.00 N ATOM 0 H LYS A 47 4.777 -2.944 5.780 1.00 0.00 H new ATOM 0 HA LYS A 47 6.611 -0.755 6.107 1.00 0.00 H new ATOM 0 HB2 LYS A 47 7.028 -2.068 3.479 1.00 0.00 H new ATOM 0 HB3 LYS A 47 8.147 -1.155 4.471 1.00 0.00 H new ATOM 0 HG2 LYS A 47 8.439 -3.116 5.958 1.00 0.00 H new ATOM 0 HG3 LYS A 47 7.305 -4.030 4.984 1.00 0.00 H new ATOM 0 HD2 LYS A 47 8.829 -3.594 2.980 1.00 0.00 H new ATOM 0 HD3 LYS A 47 9.997 -2.924 4.101 1.00 0.00 H new ATOM 0 HE2 LYS A 47 10.296 -5.010 5.222 1.00 0.00 H new ATOM 0 HE3 LYS A 47 8.840 -5.692 4.524 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 10.815 -6.551 3.446 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 9.898 -5.645 2.340 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 11.309 -4.984 3.017 1.00 0.00 H new ATOM 704 N LEU A 48 5.354 0.510 4.296 1.00 0.00 N ATOM 705 CA LEU A 48 4.428 1.297 3.488 1.00 0.00 C ATOM 706 C LEU A 48 5.192 2.247 2.560 1.00 0.00 C ATOM 707 O LEU A 48 5.926 3.120 3.021 1.00 0.00 O ATOM 708 CB LEU A 48 3.498 2.100 4.399 1.00 0.00 C ATOM 709 CG LEU A 48 4.176 3.226 5.186 1.00 0.00 C ATOM 710 CD1 LEU A 48 3.840 4.581 4.579 1.00 0.00 C ATOM 711 CD2 LEU A 48 3.768 3.178 6.652 1.00 0.00 C ATOM 0 H LEU A 48 6.141 1.042 4.667 1.00 0.00 H new ATOM 0 HA LEU A 48 3.837 0.615 2.876 1.00 0.00 H new ATOM 0 HB2 LEU A 48 2.702 2.530 3.792 1.00 0.00 H new ATOM 0 HB3 LEU A 48 3.027 1.416 5.105 1.00 0.00 H new ATOM 0 HG LEU A 48 5.255 3.083 5.128 1.00 0.00 H new ATOM 0 HD11 LEU A 48 4.331 5.368 5.152 1.00 0.00 H new ATOM 0 HD12 LEU A 48 4.187 4.613 3.546 1.00 0.00 H new ATOM 0 HD13 LEU A 48 2.761 4.733 4.604 1.00 0.00 H new ATOM 0 HD21 LEU A 48 4.260 3.986 7.193 1.00 0.00 H new ATOM 0 HD22 LEU A 48 2.687 3.293 6.733 1.00 0.00 H new ATOM 0 HD23 LEU A 48 4.064 2.221 7.081 1.00 0.00 H new ATOM 723 N GLN A 49 5.013 2.073 1.253 1.00 0.00 N ATOM 724 CA GLN A 49 5.684 2.917 0.264 1.00 0.00 C ATOM 725 C GLN A 49 4.708 3.926 -0.339 1.00 0.00 C ATOM 726 O GLN A 49 3.702 3.549 -0.937 1.00 0.00 O ATOM 727 CB GLN A 49 6.285 2.051 -0.845 1.00 0.00 C ATOM 728 CG GLN A 49 7.727 1.646 -0.586 1.00 0.00 C ATOM 729 CD GLN A 49 7.836 0.363 0.215 1.00 0.00 C ATOM 730 OE1 GLN A 49 7.011 0.090 1.086 1.00 0.00 O ATOM 731 NE2 GLN A 49 8.860 -0.430 -0.076 1.00 0.00 N ATOM 0 H GLN A 49 4.409 1.355 0.853 1.00 0.00 H new ATOM 0 HA GLN A 49 6.482 3.463 0.766 1.00 0.00 H new ATOM 0 HB2 GLN A 49 5.679 1.152 -0.961 1.00 0.00 H new ATOM 0 HB3 GLN A 49 6.233 2.595 -1.788 1.00 0.00 H new ATOM 0 HG2 GLN A 49 8.242 1.521 -1.538 1.00 0.00 H new ATOM 0 HG3 GLN A 49 8.236 2.448 -0.052 1.00 0.00 H new ATOM 0 HE21 GLN A 49 9.520 -0.163 -0.807 1.00 0.00 H new ATOM 0 HE22 GLN A 49 8.987 -1.306 0.431 1.00 0.00 H new ATOM 740 N ALA A 50 5.015 5.210 -0.184 1.00 0.00 N ATOM 741 CA ALA A 50 4.168 6.273 -0.717 1.00 0.00 C ATOM 742 C ALA A 50 4.959 7.160 -1.674 1.00 0.00 C ATOM 743 O ALA A 50 6.189 7.123 -1.690 1.00 0.00 O ATOM 744 CB ALA A 50 3.586 7.107 0.418 1.00 0.00 C ATOM 0 H ALA A 50 5.846 5.541 0.307 1.00 0.00 H new ATOM 0 HA ALA A 50 3.348 5.815 -1.269 1.00 0.00 H new ATOM 0 HB1 ALA A 50 2.957 7.895 0.005 1.00 0.00 H new ATOM 0 HB2 ALA A 50 2.988 6.469 1.069 1.00 0.00 H new ATOM 0 HB3 ALA A 50 4.396 7.554 0.994 1.00 0.00 H new ATOM 750 N THR A 51 4.251 7.957 -2.468 1.00 0.00 N ATOM 751 CA THR A 51 4.901 8.850 -3.421 1.00 0.00 C ATOM 752 C THR A 51 5.399 10.114 -2.723 1.00 0.00 C ATOM 753 O THR A 51 4.979 10.423 -1.608 1.00 0.00 O ATOM 754 CB THR A 51 3.941 9.217 -4.558 1.00 0.00 C ATOM 755 OG1 THR A 51 2.630 8.759 -4.277 1.00 0.00 O ATOM 756 CG2 THR A 51 4.352 8.639 -5.896 1.00 0.00 C ATOM 0 H THR A 51 3.232 8.003 -2.471 1.00 0.00 H new ATOM 0 HA THR A 51 5.758 8.327 -3.845 1.00 0.00 H new ATOM 0 HB THR A 51 3.973 10.305 -4.623 1.00 0.00 H new ATOM 0 HG1 THR A 51 2.610 7.780 -4.317 1.00 0.00 H new ATOM 0 HG21 THR A 51 3.631 8.936 -6.658 1.00 0.00 H new ATOM 0 HG22 THR A 51 5.340 9.013 -6.166 1.00 0.00 H new ATOM 0 HG23 THR A 51 4.382 7.551 -5.829 1.00 0.00 H new ATOM 764 N PRO A 52 6.310 10.862 -3.370 1.00 0.00 N ATOM 765 CA PRO A 52 6.868 12.092 -2.803 1.00 0.00 C ATOM 766 C PRO A 52 5.873 13.247 -2.824 1.00 0.00 C ATOM 767 O PRO A 52 4.889 13.220 -3.564 1.00 0.00 O ATOM 768 CB PRO A 52 8.055 12.392 -3.717 1.00 0.00 C ATOM 769 CG PRO A 52 7.686 11.785 -5.026 1.00 0.00 C ATOM 770 CD PRO A 52 6.869 10.563 -4.703 1.00 0.00 C ATOM 0 HA PRO A 52 7.138 11.972 -1.754 1.00 0.00 H new ATOM 0 HB2 PRO A 52 8.221 13.465 -3.811 1.00 0.00 H new ATOM 0 HB3 PRO A 52 8.976 11.960 -3.325 1.00 0.00 H new ATOM 0 HG2 PRO A 52 7.115 12.487 -5.634 1.00 0.00 H new ATOM 0 HG3 PRO A 52 8.576 11.519 -5.597 1.00 0.00 H new ATOM 0 HD2 PRO A 52 6.083 10.400 -5.440 1.00 0.00 H new ATOM 0 HD3 PRO A 52 7.483 9.663 -4.688 1.00 0.00 H new ATOM 778 N ALA A 53 6.136 14.262 -2.007 1.00 0.00 N ATOM 779 CA ALA A 53 5.266 15.429 -1.932 1.00 0.00 C ATOM 780 C ALA A 53 5.362 16.266 -3.202 1.00 0.00 C ATOM 781 O ALA A 53 4.379 16.862 -3.641 1.00 0.00 O ATOM 782 CB ALA A 53 5.617 16.271 -0.714 1.00 0.00 C ATOM 0 H ALA A 53 6.945 14.299 -1.387 1.00 0.00 H new ATOM 0 HA ALA A 53 4.238 15.080 -1.835 1.00 0.00 H new ATOM 0 HB1 ALA A 53 4.960 17.139 -0.670 1.00 0.00 H new ATOM 0 HB2 ALA A 53 5.491 15.674 0.189 1.00 0.00 H new ATOM 0 HB3 ALA A 53 6.653 16.603 -0.788 1.00 0.00 H new ATOM 788 N SER A 54 6.554 16.304 -3.790 1.00 0.00 N ATOM 789 CA SER A 54 6.778 17.067 -5.012 1.00 0.00 C ATOM 790 C SER A 54 6.032 16.447 -6.189 1.00 0.00 C ATOM 791 O SER A 54 5.722 17.126 -7.167 1.00 0.00 O ATOM 792 CB SER A 54 8.274 17.145 -5.323 1.00 0.00 C ATOM 793 OG SER A 54 8.949 17.965 -4.385 1.00 0.00 O ATOM 0 H SER A 54 7.378 15.816 -3.440 1.00 0.00 H new ATOM 0 HA SER A 54 6.394 18.075 -4.855 1.00 0.00 H new ATOM 0 HB2 SER A 54 8.704 16.143 -5.310 1.00 0.00 H new ATOM 0 HB3 SER A 54 8.419 17.541 -6.328 1.00 0.00 H new ATOM 0 HG SER A 54 9.903 17.997 -4.605 1.00 0.00 H new ATOM 799 N SER A 55 5.747 15.155 -6.085 1.00 0.00 N ATOM 800 CA SER A 55 5.036 14.442 -7.138 1.00 0.00 C ATOM 801 C SER A 55 3.631 15.006 -7.321 1.00 0.00 C ATOM 802 O SER A 55 3.164 15.809 -6.513 1.00 0.00 O ATOM 803 CB SER A 55 4.962 12.948 -6.813 1.00 0.00 C ATOM 804 OG SER A 55 5.957 12.223 -7.515 1.00 0.00 O ATOM 0 H SER A 55 5.998 14.579 -5.281 1.00 0.00 H new ATOM 0 HA SER A 55 5.586 14.575 -8.069 1.00 0.00 H new ATOM 0 HB2 SER A 55 5.088 12.799 -5.741 1.00 0.00 H new ATOM 0 HB3 SER A 55 3.976 12.564 -7.074 1.00 0.00 H new ATOM 0 HG SER A 55 5.792 11.262 -7.417 1.00 0.00 H new ATOM 810 N GLU A 56 2.962 14.582 -8.388 1.00 0.00 N ATOM 811 CA GLU A 56 1.611 15.048 -8.676 1.00 0.00 C ATOM 812 C GLU A 56 0.635 13.877 -8.755 1.00 0.00 C ATOM 813 O GLU A 56 -0.270 13.867 -9.589 1.00 0.00 O ATOM 814 CB GLU A 56 1.589 15.834 -9.988 1.00 0.00 C ATOM 815 CG GLU A 56 2.110 17.256 -9.854 1.00 0.00 C ATOM 816 CD GLU A 56 2.522 17.854 -11.185 1.00 0.00 C ATOM 817 OE1 GLU A 56 1.975 17.426 -12.223 1.00 0.00 O ATOM 818 OE2 GLU A 56 3.393 18.749 -11.189 1.00 0.00 O ATOM 0 H GLU A 56 3.333 13.917 -9.067 1.00 0.00 H new ATOM 0 HA GLU A 56 1.299 15.703 -7.862 1.00 0.00 H new ATOM 0 HB2 GLU A 56 2.188 15.305 -10.729 1.00 0.00 H new ATOM 0 HB3 GLU A 56 0.567 15.864 -10.367 1.00 0.00 H new ATOM 0 HG2 GLU A 56 1.339 17.880 -9.402 1.00 0.00 H new ATOM 0 HG3 GLU A 56 2.964 17.264 -9.177 1.00 0.00 H new ATOM 825 N LYS A 57 0.825 12.892 -7.882 1.00 0.00 N ATOM 826 CA LYS A 57 -0.038 11.723 -7.857 1.00 0.00 C ATOM 827 C LYS A 57 0.042 11.006 -6.512 1.00 0.00 C ATOM 828 O LYS A 57 0.968 10.236 -6.260 1.00 0.00 O ATOM 829 CB LYS A 57 0.338 10.763 -8.986 1.00 0.00 C ATOM 830 CG LYS A 57 -0.857 10.257 -9.778 1.00 0.00 C ATOM 831 CD LYS A 57 -1.842 9.510 -8.891 1.00 0.00 C ATOM 832 CE LYS A 57 -1.888 8.028 -9.229 1.00 0.00 C ATOM 833 NZ LYS A 57 -3.135 7.662 -9.956 1.00 0.00 N ATOM 0 H LYS A 57 1.569 12.883 -7.184 1.00 0.00 H new ATOM 0 HA LYS A 57 -1.064 12.060 -8.001 1.00 0.00 H new ATOM 0 HB2 LYS A 57 1.027 11.266 -9.665 1.00 0.00 H new ATOM 0 HB3 LYS A 57 0.871 9.911 -8.565 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -1.361 11.098 -10.254 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -0.513 9.598 -10.576 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -1.560 9.637 -7.846 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -2.836 9.941 -9.007 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -1.023 7.768 -9.839 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -1.818 7.444 -8.311 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -3.127 6.644 -10.168 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -3.960 7.886 -9.364 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -3.189 8.200 -10.844 1.00 0.00 H new ATOM 847 N MET A 58 -0.940 11.263 -5.655 1.00 0.00 N ATOM 848 CA MET A 58 -0.994 10.643 -4.338 1.00 0.00 C ATOM 849 C MET A 58 -1.292 9.150 -4.462 1.00 0.00 C ATOM 850 O MET A 58 -2.374 8.766 -4.898 1.00 0.00 O ATOM 851 CB MET A 58 -2.067 11.327 -3.485 1.00 0.00 C ATOM 852 CG MET A 58 -3.411 11.464 -4.192 1.00 0.00 C ATOM 853 SD MET A 58 -3.811 13.175 -4.602 1.00 0.00 S ATOM 854 CE MET A 58 -4.942 12.940 -5.970 1.00 0.00 C ATOM 0 H MET A 58 -1.712 11.900 -5.851 1.00 0.00 H new ATOM 0 HA MET A 58 -0.025 10.762 -3.854 1.00 0.00 H new ATOM 0 HB2 MET A 58 -2.206 10.758 -2.565 1.00 0.00 H new ATOM 0 HB3 MET A 58 -1.714 12.317 -3.197 1.00 0.00 H new ATOM 0 HG2 MET A 58 -3.399 10.869 -5.105 1.00 0.00 H new ATOM 0 HG3 MET A 58 -4.195 11.054 -3.555 1.00 0.00 H new ATOM 0 HE1 MET A 58 -4.616 13.540 -6.819 1.00 0.00 H new ATOM 0 HE2 MET A 58 -4.956 11.888 -6.254 1.00 0.00 H new ATOM 0 HE3 MET A 58 -5.944 13.249 -5.671 1.00 0.00 H new ATOM 864 N MET A 59 -0.321 8.312 -4.096 1.00 0.00 N ATOM 865 CA MET A 59 -0.489 6.858 -4.187 1.00 0.00 C ATOM 866 C MET A 59 0.572 6.128 -3.371 1.00 0.00 C ATOM 867 O MET A 59 1.746 6.496 -3.402 1.00 0.00 O ATOM 868 CB MET A 59 -0.405 6.405 -5.649 1.00 0.00 C ATOM 869 CG MET A 59 0.096 7.482 -6.577 1.00 0.00 C ATOM 870 SD MET A 59 0.745 6.835 -8.131 1.00 0.00 S ATOM 871 CE MET A 59 2.501 6.818 -7.788 1.00 0.00 C ATOM 0 H MET A 59 0.585 8.611 -3.736 1.00 0.00 H new ATOM 0 HA MET A 59 -1.471 6.612 -3.783 1.00 0.00 H new ATOM 0 HB2 MET A 59 0.255 5.540 -5.717 1.00 0.00 H new ATOM 0 HB3 MET A 59 -1.392 6.080 -5.979 1.00 0.00 H new ATOM 0 HG2 MET A 59 -0.717 8.176 -6.791 1.00 0.00 H new ATOM 0 HG3 MET A 59 0.877 8.052 -6.074 1.00 0.00 H new ATOM 0 HE1 MET A 59 3.007 6.178 -8.511 1.00 0.00 H new ATOM 0 HE2 MET A 59 2.896 7.831 -7.862 1.00 0.00 H new ATOM 0 HE3 MET A 59 2.672 6.435 -6.782 1.00 0.00 H new ATOM 881 N LEU A 60 0.168 5.078 -2.658 1.00 0.00 N ATOM 882 CA LEU A 60 1.120 4.308 -1.868 1.00 0.00 C ATOM 883 C LEU A 60 0.774 2.818 -1.839 1.00 0.00 C ATOM 884 O LEU A 60 -0.381 2.429 -2.010 1.00 0.00 O ATOM 885 CB LEU A 60 1.221 4.849 -0.444 1.00 0.00 C ATOM 886 CG LEU A 60 -0.103 5.112 0.267 1.00 0.00 C ATOM 887 CD1 LEU A 60 -1.017 3.903 0.197 1.00 0.00 C ATOM 888 CD2 LEU A 60 0.164 5.501 1.711 1.00 0.00 C ATOM 0 H LEU A 60 -0.796 4.747 -2.612 1.00 0.00 H new ATOM 0 HA LEU A 60 2.089 4.417 -2.356 1.00 0.00 H new ATOM 0 HB2 LEU A 60 1.797 4.141 0.152 1.00 0.00 H new ATOM 0 HB3 LEU A 60 1.788 5.780 -0.469 1.00 0.00 H new ATOM 0 HG LEU A 60 -0.611 5.933 -0.238 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -1.952 4.123 0.713 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -1.226 3.664 -0.846 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -0.531 3.052 0.674 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -0.782 5.689 2.218 1.00 0.00 H new ATOM 0 HD22 LEU A 60 0.691 4.691 2.215 1.00 0.00 H new ATOM 0 HD23 LEU A 60 0.775 6.403 1.738 1.00 0.00 H new ATOM 900 N ARG A 61 1.799 1.995 -1.620 1.00 0.00 N ATOM 901 CA ARG A 61 1.642 0.545 -1.562 1.00 0.00 C ATOM 902 C ARG A 61 2.240 0.008 -0.265 1.00 0.00 C ATOM 903 O ARG A 61 3.262 0.505 0.205 1.00 0.00 O ATOM 904 CB ARG A 61 2.316 -0.126 -2.768 1.00 0.00 C ATOM 905 CG ARG A 61 3.800 -0.398 -2.571 1.00 0.00 C ATOM 906 CD ARG A 61 4.474 -0.814 -3.869 1.00 0.00 C ATOM 907 NE ARG A 61 5.438 -1.894 -3.661 1.00 0.00 N ATOM 908 CZ ARG A 61 6.546 -2.055 -4.381 1.00 0.00 C ATOM 909 NH1 ARG A 61 6.834 -1.221 -5.372 1.00 0.00 N ATOM 910 NH2 ARG A 61 7.369 -3.060 -4.111 1.00 0.00 N ATOM 0 H ARG A 61 2.757 2.314 -1.479 1.00 0.00 H new ATOM 0 HA ARG A 61 0.577 0.313 -1.590 1.00 0.00 H new ATOM 0 HB2 ARG A 61 1.809 -1.068 -2.978 1.00 0.00 H new ATOM 0 HB3 ARG A 61 2.186 0.509 -3.644 1.00 0.00 H new ATOM 0 HG2 ARG A 61 4.285 0.496 -2.180 1.00 0.00 H new ATOM 0 HG3 ARG A 61 3.930 -1.183 -1.826 1.00 0.00 H new ATOM 0 HD2 ARG A 61 3.717 -1.136 -4.584 1.00 0.00 H new ATOM 0 HD3 ARG A 61 4.981 0.046 -4.307 1.00 0.00 H new ATOM 0 HE ARG A 61 5.249 -2.566 -2.917 1.00 0.00 H new ATOM 0 HH11 ARG A 61 6.204 -0.448 -5.588 1.00 0.00 H new ATOM 0 HH12 ARG A 61 7.685 -1.353 -5.918 1.00 0.00 H new ATOM 0 HH21 ARG A 61 7.152 -3.707 -3.353 1.00 0.00 H new ATOM 0 HH22 ARG A 61 8.219 -3.185 -4.661 1.00 0.00 H new ATOM 924 N LEU A 62 1.606 -1.002 0.310 1.00 0.00 N ATOM 925 CA LEU A 62 2.093 -1.590 1.553 1.00 0.00 C ATOM 926 C LEU A 62 2.662 -2.977 1.314 1.00 0.00 C ATOM 927 O LEU A 62 2.093 -3.789 0.585 1.00 0.00 O ATOM 928 CB LEU A 62 0.990 -1.636 2.616 1.00 0.00 C ATOM 929 CG LEU A 62 -0.273 -0.827 2.306 1.00 0.00 C ATOM 930 CD1 LEU A 62 -1.484 -1.456 2.974 1.00 0.00 C ATOM 931 CD2 LEU A 62 -0.104 0.617 2.754 1.00 0.00 C ATOM 0 H LEU A 62 0.758 -1.431 -0.060 1.00 0.00 H new ATOM 0 HA LEU A 62 2.894 -0.952 1.926 1.00 0.00 H new ATOM 0 HB2 LEU A 62 0.703 -2.676 2.769 1.00 0.00 H new ATOM 0 HB3 LEU A 62 1.405 -1.278 3.558 1.00 0.00 H new ATOM 0 HG LEU A 62 -0.433 -0.835 1.228 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -2.373 -0.869 2.743 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -1.616 -2.473 2.605 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -1.334 -1.478 4.053 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -1.011 1.177 2.526 1.00 0.00 H new ATOM 0 HD22 LEU A 62 0.080 0.646 3.828 1.00 0.00 H new ATOM 0 HD23 LEU A 62 0.740 1.064 2.229 1.00 0.00 H new ATOM 943 N ILE A 63 3.806 -3.221 1.931 1.00 0.00 N ATOM 944 CA ILE A 63 4.508 -4.484 1.803 1.00 0.00 C ATOM 945 C ILE A 63 4.037 -5.490 2.852 1.00 0.00 C ATOM 946 O ILE A 63 3.783 -5.128 3.995 1.00 0.00 O ATOM 947 CB ILE A 63 6.027 -4.243 1.947 1.00 0.00 C ATOM 948 CG1 ILE A 63 6.700 -4.222 0.577 1.00 0.00 C ATOM 949 CG2 ILE A 63 6.672 -5.271 2.856 1.00 0.00 C ATOM 950 CD1 ILE A 63 7.013 -2.823 0.099 1.00 0.00 C ATOM 0 H ILE A 63 4.274 -2.546 2.536 1.00 0.00 H new ATOM 0 HA ILE A 63 4.291 -4.901 0.820 1.00 0.00 H new ATOM 0 HB ILE A 63 6.166 -3.267 2.412 1.00 0.00 H new ATOM 0 HG12 ILE A 63 7.623 -4.801 0.622 1.00 0.00 H new ATOM 0 HG13 ILE A 63 6.051 -4.712 -0.149 1.00 0.00 H new ATOM 0 HG21 ILE A 63 7.740 -5.069 2.933 1.00 0.00 H new ATOM 0 HG22 ILE A 63 6.220 -5.216 3.846 1.00 0.00 H new ATOM 0 HG23 ILE A 63 6.520 -6.268 2.443 1.00 0.00 H new ATOM 0 HD11 ILE A 63 7.490 -2.871 -0.880 1.00 0.00 H new ATOM 0 HD12 ILE A 63 6.089 -2.249 0.025 1.00 0.00 H new ATOM 0 HD13 ILE A 63 7.685 -2.338 0.807 1.00 0.00 H new ATOM 962 N GLY A 64 3.944 -6.757 2.459 1.00 0.00 N ATOM 963 CA GLY A 64 3.525 -7.792 3.388 1.00 0.00 C ATOM 964 C GLY A 64 4.703 -8.393 4.132 1.00 0.00 C ATOM 965 O GLY A 64 4.771 -9.605 4.328 1.00 0.00 O ATOM 0 H GLY A 64 4.151 -7.085 1.516 1.00 0.00 H new ATOM 0 HA2 GLY A 64 2.818 -7.373 4.104 1.00 0.00 H new ATOM 0 HA3 GLY A 64 3.000 -8.577 2.844 1.00 0.00 H new ATOM 969 N LYS A 65 5.636 -7.527 4.533 1.00 0.00 N ATOM 970 CA LYS A 65 6.848 -7.925 5.247 1.00 0.00 C ATOM 971 C LYS A 65 7.457 -9.195 4.658 1.00 0.00 C ATOM 972 O LYS A 65 6.996 -9.702 3.636 1.00 0.00 O ATOM 973 CB LYS A 65 6.583 -8.090 6.746 1.00 0.00 C ATOM 974 CG LYS A 65 5.300 -8.830 7.085 1.00 0.00 C ATOM 975 CD LYS A 65 5.443 -10.333 6.886 1.00 0.00 C ATOM 976 CE LYS A 65 5.413 -11.077 8.212 1.00 0.00 C ATOM 977 NZ LYS A 65 5.026 -12.504 8.039 1.00 0.00 N ATOM 0 H LYS A 65 5.570 -6.522 4.369 1.00 0.00 H new ATOM 0 HA LYS A 65 7.574 -7.122 5.121 1.00 0.00 H new ATOM 0 HB2 LYS A 65 7.423 -8.622 7.193 1.00 0.00 H new ATOM 0 HB3 LYS A 65 6.550 -7.103 7.206 1.00 0.00 H new ATOM 0 HG2 LYS A 65 5.025 -8.625 8.120 1.00 0.00 H new ATOM 0 HG3 LYS A 65 4.489 -8.456 6.460 1.00 0.00 H new ATOM 0 HD2 LYS A 65 4.638 -10.695 6.247 1.00 0.00 H new ATOM 0 HD3 LYS A 65 6.379 -10.545 6.370 1.00 0.00 H new ATOM 0 HE2 LYS A 65 6.395 -11.022 8.682 1.00 0.00 H new ATOM 0 HE3 LYS A 65 4.709 -10.589 8.886 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 5.017 -12.976 8.966 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 4.078 -12.558 7.614 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 5.712 -12.977 7.416 1.00 0.00 H new ATOM 991 N VAL A 66 8.513 -9.693 5.287 1.00 0.00 N ATOM 992 CA VAL A 66 9.183 -10.877 4.803 1.00 0.00 C ATOM 993 C VAL A 66 9.732 -11.719 5.949 1.00 0.00 C ATOM 994 O VAL A 66 9.882 -11.240 7.072 1.00 0.00 O ATOM 995 CB VAL A 66 10.321 -10.496 3.862 1.00 0.00 C ATOM 996 CG1 VAL A 66 10.825 -11.711 3.096 1.00 0.00 C ATOM 997 CG2 VAL A 66 9.882 -9.392 2.909 1.00 0.00 C ATOM 0 H VAL A 66 8.919 -9.291 6.132 1.00 0.00 H new ATOM 0 HA VAL A 66 8.445 -11.471 4.263 1.00 0.00 H new ATOM 0 HB VAL A 66 11.147 -10.116 4.463 1.00 0.00 H new ATOM 0 HG11 VAL A 66 11.636 -11.412 2.432 1.00 0.00 H new ATOM 0 HG12 VAL A 66 11.189 -12.459 3.800 1.00 0.00 H new ATOM 0 HG13 VAL A 66 10.011 -12.133 2.507 1.00 0.00 H new ATOM 0 HG21 VAL A 66 10.708 -9.134 2.246 1.00 0.00 H new ATOM 0 HG22 VAL A 66 9.035 -9.738 2.316 1.00 0.00 H new ATOM 0 HG23 VAL A 66 9.588 -8.512 3.482 1.00 0.00 H new ATOM 1311 N ARG A 86 2.510 -7.826 -1.516 1.00 0.00 N ATOM 1312 CA ARG A 86 2.358 -6.388 -1.320 1.00 0.00 C ATOM 1313 C ARG A 86 1.123 -5.861 -2.045 1.00 0.00 C ATOM 1314 O ARG A 86 0.726 -6.382 -3.087 1.00 0.00 O ATOM 1315 CB ARG A 86 3.617 -5.659 -1.802 1.00 0.00 C ATOM 1316 CG ARG A 86 3.422 -4.174 -2.076 1.00 0.00 C ATOM 1317 CD ARG A 86 3.235 -3.901 -3.559 1.00 0.00 C ATOM 1318 NE ARG A 86 4.405 -4.294 -4.340 1.00 0.00 N ATOM 1319 CZ ARG A 86 4.383 -4.508 -5.653 1.00 0.00 C ATOM 1320 NH1 ARG A 86 3.254 -4.366 -6.337 1.00 0.00 N ATOM 1321 NH2 ARG A 86 5.492 -4.866 -6.285 1.00 0.00 N ATOM 0 HA ARG A 86 2.224 -6.198 -0.255 1.00 0.00 H new ATOM 0 HB2 ARG A 86 4.399 -5.777 -1.052 1.00 0.00 H new ATOM 0 HB3 ARG A 86 3.973 -6.140 -2.713 1.00 0.00 H new ATOM 0 HG2 ARG A 86 2.553 -3.813 -1.526 1.00 0.00 H new ATOM 0 HG3 ARG A 86 4.285 -3.619 -1.709 1.00 0.00 H new ATOM 0 HD2 ARG A 86 2.360 -4.442 -3.920 1.00 0.00 H new ATOM 0 HD3 ARG A 86 3.038 -2.840 -3.710 1.00 0.00 H new ATOM 0 HE ARG A 86 5.292 -4.411 -3.850 1.00 0.00 H new ATOM 0 HH11 ARG A 86 2.397 -4.091 -5.856 1.00 0.00 H new ATOM 0 HH12 ARG A 86 3.243 -4.531 -7.343 1.00 0.00 H new ATOM 0 HH21 ARG A 86 6.362 -4.977 -5.765 1.00 0.00 H new ATOM 0 HH22 ARG A 86 5.475 -5.030 -7.292 1.00 0.00 H new ATOM 1335 N HIS A 87 0.531 -4.815 -1.483 1.00 0.00 N ATOM 1336 CA HIS A 87 -0.653 -4.191 -2.064 1.00 0.00 C ATOM 1337 C HIS A 87 -0.353 -2.747 -2.449 1.00 0.00 C ATOM 1338 O HIS A 87 0.249 -2.004 -1.673 1.00 0.00 O ATOM 1339 CB HIS A 87 -1.827 -4.234 -1.080 1.00 0.00 C ATOM 1340 CG HIS A 87 -1.847 -5.454 -0.211 1.00 0.00 C ATOM 1341 ND1 HIS A 87 -2.813 -6.434 -0.311 1.00 0.00 N ATOM 1342 CD2 HIS A 87 -1.013 -5.851 0.779 1.00 0.00 C ATOM 1343 CE1 HIS A 87 -2.572 -7.379 0.581 1.00 0.00 C ATOM 1344 NE2 HIS A 87 -1.486 -7.049 1.254 1.00 0.00 N ATOM 0 H HIS A 87 0.853 -4.378 -0.620 1.00 0.00 H new ATOM 0 HA HIS A 87 -0.928 -4.749 -2.959 1.00 0.00 H new ATOM 0 HB2 HIS A 87 -1.789 -3.349 -0.445 1.00 0.00 H new ATOM 0 HB3 HIS A 87 -2.760 -4.184 -1.641 1.00 0.00 H new ATOM 0 HD2 HIS A 87 -0.138 -5.323 1.130 1.00 0.00 H new ATOM 0 HE1 HIS A 87 -3.163 -8.270 0.733 1.00 0.00 H new ATOM 0 HE2 HIS A 87 -1.066 -7.596 2.006 1.00 0.00 H new ATOM 1353 N MET A 88 -0.763 -2.353 -3.650 1.00 0.00 N ATOM 1354 CA MET A 88 -0.519 -0.995 -4.124 1.00 0.00 C ATOM 1355 C MET A 88 -1.818 -0.307 -4.542 1.00 0.00 C ATOM 1356 O MET A 88 -2.531 -0.785 -5.424 1.00 0.00 O ATOM 1357 CB MET A 88 0.480 -1.015 -5.290 1.00 0.00 C ATOM 1358 CG MET A 88 -0.142 -1.339 -6.643 1.00 0.00 C ATOM 1359 SD MET A 88 1.074 -1.892 -7.861 1.00 0.00 S ATOM 1360 CE MET A 88 0.344 -1.298 -9.390 1.00 0.00 C ATOM 0 H MET A 88 -1.262 -2.950 -4.309 1.00 0.00 H new ATOM 0 HA MET A 88 -0.093 -0.421 -3.301 1.00 0.00 H new ATOM 0 HB2 MET A 88 0.969 -0.043 -5.351 1.00 0.00 H new ATOM 0 HB3 MET A 88 1.257 -1.749 -5.075 1.00 0.00 H new ATOM 0 HG2 MET A 88 -0.898 -2.114 -6.514 1.00 0.00 H new ATOM 0 HG3 MET A 88 -0.654 -0.455 -7.023 1.00 0.00 H new ATOM 0 HE1 MET A 88 1.134 -0.988 -10.074 1.00 0.00 H new ATOM 0 HE2 MET A 88 -0.240 -2.096 -9.848 1.00 0.00 H new ATOM 0 HE3 MET A 88 -0.306 -0.449 -9.177 1.00 0.00 H new ATOM 1370 N PHE A 89 -2.112 0.825 -3.906 1.00 0.00 N ATOM 1371 CA PHE A 89 -3.318 1.586 -4.216 1.00 0.00 C ATOM 1372 C PHE A 89 -3.024 3.088 -4.226 1.00 0.00 C ATOM 1373 O PHE A 89 -2.159 3.566 -3.492 1.00 0.00 O ATOM 1374 CB PHE A 89 -4.437 1.248 -3.223 1.00 0.00 C ATOM 1375 CG PHE A 89 -4.217 1.762 -1.830 1.00 0.00 C ATOM 1376 CD1 PHE A 89 -3.199 1.256 -1.038 1.00 0.00 C ATOM 1377 CD2 PHE A 89 -5.043 2.743 -1.310 1.00 0.00 C ATOM 1378 CE1 PHE A 89 -3.010 1.722 0.249 1.00 0.00 C ATOM 1379 CE2 PHE A 89 -4.859 3.216 -0.025 1.00 0.00 C ATOM 1380 CZ PHE A 89 -3.841 2.704 0.756 1.00 0.00 C ATOM 0 H PHE A 89 -1.532 1.234 -3.174 1.00 0.00 H new ATOM 0 HA PHE A 89 -3.656 1.306 -5.214 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -5.375 1.654 -3.602 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -4.553 0.165 -3.182 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -2.547 0.490 -1.430 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -5.842 3.144 -1.916 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -2.214 1.320 0.858 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -5.509 3.984 0.368 1.00 0.00 H new ATOM 0 HZ PHE A 89 -3.694 3.070 1.761 1.00 0.00 H new ATOM 1390 N SER A 90 -3.734 3.821 -5.082 1.00 0.00 N ATOM 1391 CA SER A 90 -3.538 5.265 -5.217 1.00 0.00 C ATOM 1392 C SER A 90 -4.507 6.056 -4.347 1.00 0.00 C ATOM 1393 O SER A 90 -5.589 5.583 -4.013 1.00 0.00 O ATOM 1394 CB SER A 90 -3.714 5.678 -6.680 1.00 0.00 C ATOM 1395 OG SER A 90 -3.493 7.068 -6.848 1.00 0.00 O ATOM 0 H SER A 90 -4.453 3.437 -5.695 1.00 0.00 H new ATOM 0 HA SER A 90 -2.526 5.491 -4.882 1.00 0.00 H new ATOM 0 HB2 SER A 90 -3.019 5.118 -7.305 1.00 0.00 H new ATOM 0 HB3 SER A 90 -4.720 5.423 -7.014 1.00 0.00 H new ATOM 0 HG SER A 90 -2.955 7.406 -6.102 1.00 0.00 H new ATOM 1401 N PHE A 91 -4.107 7.275 -4.000 1.00 0.00 N ATOM 1402 CA PHE A 91 -4.920 8.163 -3.181 1.00 0.00 C ATOM 1403 C PHE A 91 -5.667 9.156 -4.063 1.00 0.00 C ATOM 1404 O PHE A 91 -5.414 9.245 -5.264 1.00 0.00 O ATOM 1405 CB PHE A 91 -4.033 8.955 -2.230 1.00 0.00 C ATOM 1406 CG PHE A 91 -3.706 8.257 -0.950 1.00 0.00 C ATOM 1407 CD1 PHE A 91 -4.702 7.776 -0.120 1.00 0.00 C ATOM 1408 CD2 PHE A 91 -2.391 8.108 -0.571 1.00 0.00 C ATOM 1409 CE1 PHE A 91 -4.385 7.155 1.073 1.00 0.00 C ATOM 1410 CE2 PHE A 91 -2.065 7.489 0.617 1.00 0.00 C ATOM 1411 CZ PHE A 91 -3.062 7.013 1.443 1.00 0.00 C ATOM 0 H PHE A 91 -3.211 7.674 -4.279 1.00 0.00 H new ATOM 0 HA PHE A 91 -5.627 7.552 -2.620 1.00 0.00 H new ATOM 0 HB2 PHE A 91 -3.102 9.199 -2.742 1.00 0.00 H new ATOM 0 HB3 PHE A 91 -4.526 9.899 -1.997 1.00 0.00 H new ATOM 0 HD1 PHE A 91 -5.737 7.887 -0.407 1.00 0.00 H new ATOM 0 HD2 PHE A 91 -1.605 8.480 -1.212 1.00 0.00 H new ATOM 0 HE1 PHE A 91 -5.170 6.782 1.714 1.00 0.00 H new ATOM 0 HE2 PHE A 91 -1.029 7.377 0.901 1.00 0.00 H new ATOM 0 HZ PHE A 91 -2.809 6.531 2.376 1.00 0.00 H new ATOM 1421 N ASN A 92 -6.577 9.913 -3.460 1.00 0.00 N ATOM 1422 CA ASN A 92 -7.340 10.908 -4.200 1.00 0.00 C ATOM 1423 C ASN A 92 -7.539 12.175 -3.371 1.00 0.00 C ATOM 1424 O ASN A 92 -8.632 12.741 -3.333 1.00 0.00 O ATOM 1425 CB ASN A 92 -8.694 10.338 -4.624 1.00 0.00 C ATOM 1426 CG ASN A 92 -8.564 9.280 -5.703 1.00 0.00 C ATOM 1427 OD1 ASN A 92 -7.685 9.358 -6.561 1.00 0.00 O ATOM 1428 ND2 ASN A 92 -9.442 8.284 -5.664 1.00 0.00 N ATOM 0 H ASN A 92 -6.803 9.857 -2.467 1.00 0.00 H new ATOM 0 HA ASN A 92 -6.772 11.169 -5.093 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -9.192 9.908 -3.755 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -9.328 11.147 -4.987 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -9.404 7.543 -6.364 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -10.154 8.260 -4.934 1.00 0.00 H new ATOM 1435 N ASN A 93 -6.471 12.618 -2.711 1.00 0.00 N ATOM 1436 CA ASN A 93 -6.519 13.821 -1.885 1.00 0.00 C ATOM 1437 C ASN A 93 -5.177 14.054 -1.194 1.00 0.00 C ATOM 1438 O ASN A 93 -4.482 13.105 -0.832 1.00 0.00 O ATOM 1439 CB ASN A 93 -7.637 13.713 -0.844 1.00 0.00 C ATOM 1440 CG ASN A 93 -8.768 14.688 -1.108 1.00 0.00 C ATOM 1441 OD1 ASN A 93 -8.549 15.893 -1.232 1.00 0.00 O ATOM 1442 ND2 ASN A 93 -9.988 14.169 -1.195 1.00 0.00 N ATOM 0 H ASN A 93 -5.560 12.160 -2.733 1.00 0.00 H new ATOM 0 HA ASN A 93 -6.727 14.671 -2.534 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -8.030 12.696 -0.841 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -7.225 13.898 0.148 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -10.789 14.776 -1.371 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -10.124 13.164 -1.086 1.00 0.00 H new ATOM 1449 N ARG A 94 -4.818 15.322 -1.021 1.00 0.00 N ATOM 1450 CA ARG A 94 -3.556 15.680 -0.379 1.00 0.00 C ATOM 1451 C ARG A 94 -3.549 15.269 1.091 1.00 0.00 C ATOM 1452 O ARG A 94 -2.660 14.547 1.539 1.00 0.00 O ATOM 1453 CB ARG A 94 -3.309 17.185 -0.499 1.00 0.00 C ATOM 1454 CG ARG A 94 -1.844 17.549 -0.681 1.00 0.00 C ATOM 1455 CD ARG A 94 -1.613 18.320 -1.971 1.00 0.00 C ATOM 1456 NE ARG A 94 -1.614 19.764 -1.753 1.00 0.00 N ATOM 1457 CZ ARG A 94 -1.774 20.660 -2.724 1.00 0.00 C ATOM 1458 NH1 ARG A 94 -1.947 20.265 -3.980 1.00 0.00 N ATOM 1459 NH2 ARG A 94 -1.762 21.956 -2.440 1.00 0.00 N ATOM 0 H ARG A 94 -5.382 16.119 -1.316 1.00 0.00 H new ATOM 0 HA ARG A 94 -2.756 15.142 -0.889 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -3.879 17.572 -1.344 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -3.689 17.680 0.395 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -1.510 18.148 0.166 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -1.241 16.641 -0.687 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -0.660 18.020 -2.407 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -2.389 18.062 -2.692 1.00 0.00 H new ATOM 0 HE ARG A 94 -1.484 20.106 -0.801 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -1.958 19.270 -4.205 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -2.069 20.956 -4.720 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -1.630 22.266 -1.477 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -1.885 22.642 -3.184 1.00 0.00 H new ATOM 1473 N THR A 95 -4.542 15.738 1.837 1.00 0.00 N ATOM 1474 CA THR A 95 -4.647 15.422 3.255 1.00 0.00 C ATOM 1475 C THR A 95 -4.959 13.945 3.464 1.00 0.00 C ATOM 1476 O THR A 95 -4.550 13.348 4.460 1.00 0.00 O ATOM 1477 CB THR A 95 -5.732 16.277 3.907 1.00 0.00 C ATOM 1478 OG1 THR A 95 -5.556 17.645 3.583 1.00 0.00 O ATOM 1479 CG2 THR A 95 -5.760 16.162 5.416 1.00 0.00 C ATOM 0 H THR A 95 -5.286 16.339 1.483 1.00 0.00 H new ATOM 0 HA THR A 95 -3.687 15.641 3.722 1.00 0.00 H new ATOM 0 HB THR A 95 -6.674 15.896 3.513 1.00 0.00 H new ATOM 0 HG1 THR A 95 -6.262 18.175 4.009 1.00 0.00 H new ATOM 0 HG21 THR A 95 -6.553 16.794 5.814 1.00 0.00 H new ATOM 0 HG22 THR A 95 -5.946 15.126 5.699 1.00 0.00 H new ATOM 0 HG23 THR A 95 -4.801 16.483 5.823 1.00 0.00 H new ATOM 1487 N VAL A 96 -5.687 13.363 2.519 1.00 0.00 N ATOM 1488 CA VAL A 96 -6.057 11.955 2.595 1.00 0.00 C ATOM 1489 C VAL A 96 -4.821 11.069 2.709 1.00 0.00 C ATOM 1490 O VAL A 96 -4.749 10.193 3.571 1.00 0.00 O ATOM 1491 CB VAL A 96 -6.882 11.532 1.357 1.00 0.00 C ATOM 1492 CG1 VAL A 96 -6.804 10.028 1.125 1.00 0.00 C ATOM 1493 CG2 VAL A 96 -8.328 11.980 1.505 1.00 0.00 C ATOM 0 H VAL A 96 -6.033 13.845 1.690 1.00 0.00 H new ATOM 0 HA VAL A 96 -6.667 11.827 3.489 1.00 0.00 H new ATOM 0 HB VAL A 96 -6.453 12.023 0.483 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -7.395 9.764 0.248 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -5.766 9.738 0.964 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -7.196 9.505 1.997 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -8.895 11.675 0.626 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -8.762 11.522 2.394 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -8.365 13.065 1.602 1.00 0.00 H new ATOM 1503 N MET A 97 -3.856 11.295 1.827 1.00 0.00 N ATOM 1504 CA MET A 97 -2.630 10.508 1.822 1.00 0.00 C ATOM 1505 C MET A 97 -1.763 10.819 3.037 1.00 0.00 C ATOM 1506 O MET A 97 -1.225 9.913 3.673 1.00 0.00 O ATOM 1507 CB MET A 97 -1.839 10.753 0.533 1.00 0.00 C ATOM 1508 CG MET A 97 -1.266 12.155 0.409 1.00 0.00 C ATOM 1509 SD MET A 97 -0.130 12.316 -0.983 1.00 0.00 S ATOM 1510 CE MET A 97 1.101 11.086 -0.559 1.00 0.00 C ATOM 0 H MET A 97 -3.898 12.016 1.107 1.00 0.00 H new ATOM 0 HA MET A 97 -2.913 9.456 1.870 1.00 0.00 H new ATOM 0 HB2 MET A 97 -1.022 10.033 0.479 1.00 0.00 H new ATOM 0 HB3 MET A 97 -2.489 10.562 -0.321 1.00 0.00 H new ATOM 0 HG2 MET A 97 -2.082 12.868 0.293 1.00 0.00 H new ATOM 0 HG3 MET A 97 -0.745 12.414 1.331 1.00 0.00 H new ATOM 0 HE1 MET A 97 2.055 11.354 -1.014 1.00 0.00 H new ATOM 0 HE2 MET A 97 1.215 11.044 0.524 1.00 0.00 H new ATOM 0 HE3 MET A 97 0.784 10.111 -0.929 1.00 0.00 H new ATOM 1520 N ASP A 98 -1.621 12.101 3.350 1.00 0.00 N ATOM 1521 CA ASP A 98 -0.806 12.520 4.482 1.00 0.00 C ATOM 1522 C ASP A 98 -1.422 12.100 5.810 1.00 0.00 C ATOM 1523 O ASP A 98 -0.715 11.654 6.712 1.00 0.00 O ATOM 1524 CB ASP A 98 -0.600 14.036 4.458 1.00 0.00 C ATOM 1525 CG ASP A 98 0.791 14.438 4.909 1.00 0.00 C ATOM 1526 OD1 ASP A 98 1.032 14.468 6.134 1.00 0.00 O ATOM 1527 OD2 ASP A 98 1.638 14.722 4.037 1.00 0.00 O ATOM 0 H ASP A 98 -2.059 12.866 2.837 1.00 0.00 H new ATOM 0 HA ASP A 98 0.160 12.023 4.390 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -0.773 14.407 3.448 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -1.339 14.511 5.103 1.00 0.00 H new ATOM 1532 N ASN A 99 -2.737 12.249 5.936 1.00 0.00 N ATOM 1533 CA ASN A 99 -3.419 11.886 7.172 1.00 0.00 C ATOM 1534 C ASN A 99 -3.167 10.423 7.518 1.00 0.00 C ATOM 1535 O ASN A 99 -2.774 10.099 8.638 1.00 0.00 O ATOM 1536 CB ASN A 99 -4.922 12.141 7.046 1.00 0.00 C ATOM 1537 CG ASN A 99 -5.291 13.581 7.345 1.00 0.00 C ATOM 1538 OD1 ASN A 99 -4.426 14.408 7.638 1.00 0.00 O ATOM 1539 ND2 ASN A 99 -6.580 13.888 7.273 1.00 0.00 N ATOM 0 H ASN A 99 -3.346 12.615 5.204 1.00 0.00 H new ATOM 0 HA ASN A 99 -3.020 12.507 7.974 1.00 0.00 H new ATOM 0 HB2 ASN A 99 -5.247 11.887 6.037 1.00 0.00 H new ATOM 0 HB3 ASN A 99 -5.458 11.482 7.729 1.00 0.00 H new ATOM 0 HD21 ASN A 99 -6.889 14.841 7.464 1.00 0.00 H new ATOM 0 HD22 ASN A 99 -7.262 13.171 7.027 1.00 0.00 H new ATOM 1546 N ILE A 100 -3.378 9.542 6.548 1.00 0.00 N ATOM 1547 CA ILE A 100 -3.151 8.125 6.760 1.00 0.00 C ATOM 1548 C ILE A 100 -1.660 7.798 6.750 1.00 0.00 C ATOM 1549 O ILE A 100 -1.191 7.007 7.564 1.00 0.00 O ATOM 1550 CB ILE A 100 -3.887 7.253 5.724 1.00 0.00 C ATOM 1551 CG1 ILE A 100 -5.396 7.313 5.974 1.00 0.00 C ATOM 1552 CG2 ILE A 100 -3.377 5.818 5.772 1.00 0.00 C ATOM 1553 CD1 ILE A 100 -6.195 6.382 5.092 1.00 0.00 C ATOM 0 H ILE A 100 -3.704 9.786 5.613 1.00 0.00 H new ATOM 0 HA ILE A 100 -3.559 7.890 7.743 1.00 0.00 H new ATOM 0 HB ILE A 100 -3.687 7.641 4.725 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -5.592 7.068 7.018 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -5.741 8.335 5.816 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -3.909 5.218 5.033 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -2.310 5.804 5.551 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -3.547 5.404 6.766 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -7.255 6.480 5.326 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -6.029 6.640 4.046 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -5.878 5.354 5.267 1.00 0.00 H new ATOM 1565 N LYS A 101 -0.914 8.403 5.822 1.00 0.00 N ATOM 1566 CA LYS A 101 0.521 8.150 5.729 1.00 0.00 C ATOM 1567 C LYS A 101 1.184 8.415 7.068 1.00 0.00 C ATOM 1568 O LYS A 101 1.966 7.603 7.559 1.00 0.00 O ATOM 1569 CB LYS A 101 1.158 9.008 4.627 1.00 0.00 C ATOM 1570 CG LYS A 101 2.679 9.027 4.663 1.00 0.00 C ATOM 1571 CD LYS A 101 3.255 9.760 3.462 1.00 0.00 C ATOM 1572 CE LYS A 101 4.530 10.504 3.822 1.00 0.00 C ATOM 1573 NZ LYS A 101 5.009 11.361 2.702 1.00 0.00 N ATOM 0 H LYS A 101 -1.276 9.063 5.134 1.00 0.00 H new ATOM 0 HA LYS A 101 0.672 7.103 5.466 1.00 0.00 H new ATOM 0 HB2 LYS A 101 0.832 8.636 3.656 1.00 0.00 H new ATOM 0 HB3 LYS A 101 0.789 10.030 4.717 1.00 0.00 H new ATOM 0 HG2 LYS A 101 3.016 9.509 5.581 1.00 0.00 H new ATOM 0 HG3 LYS A 101 3.056 8.005 4.682 1.00 0.00 H new ATOM 0 HD2 LYS A 101 3.462 9.047 2.664 1.00 0.00 H new ATOM 0 HD3 LYS A 101 2.518 10.465 3.077 1.00 0.00 H new ATOM 0 HE2 LYS A 101 4.353 11.122 4.702 1.00 0.00 H new ATOM 0 HE3 LYS A 101 5.306 9.786 4.087 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 5.881 11.851 2.988 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 5.202 10.768 1.870 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 4.279 12.063 2.465 1.00 0.00 H new ATOM 1587 N MET A 102 0.841 9.544 7.663 1.00 0.00 N ATOM 1588 CA MET A 102 1.378 9.909 8.965 1.00 0.00 C ATOM 1589 C MET A 102 0.913 8.901 10.006 1.00 0.00 C ATOM 1590 O MET A 102 1.638 8.569 10.943 1.00 0.00 O ATOM 1591 CB MET A 102 0.940 11.324 9.355 1.00 0.00 C ATOM 1592 CG MET A 102 -0.529 11.446 9.737 1.00 0.00 C ATOM 1593 SD MET A 102 -0.879 12.951 10.666 1.00 0.00 S ATOM 1594 CE MET A 102 -1.420 14.041 9.352 1.00 0.00 C ATOM 0 H MET A 102 0.193 10.225 7.266 1.00 0.00 H new ATOM 0 HA MET A 102 2.467 9.897 8.915 1.00 0.00 H new ATOM 0 HB2 MET A 102 1.550 11.662 10.193 1.00 0.00 H new ATOM 0 HB3 MET A 102 1.143 11.997 8.522 1.00 0.00 H new ATOM 0 HG2 MET A 102 -1.138 11.431 8.833 1.00 0.00 H new ATOM 0 HG3 MET A 102 -0.819 10.580 10.332 1.00 0.00 H new ATOM 0 HE1 MET A 102 -0.974 15.026 9.490 1.00 0.00 H new ATOM 0 HE2 MET A 102 -1.110 13.633 8.390 1.00 0.00 H new ATOM 0 HE3 MET A 102 -2.506 14.128 9.376 1.00 0.00 H new ATOM 1604 N THR A 103 -0.306 8.409 9.814 1.00 0.00 N ATOM 1605 CA THR A 103 -0.890 7.429 10.705 1.00 0.00 C ATOM 1606 C THR A 103 -0.144 6.108 10.582 1.00 0.00 C ATOM 1607 O THR A 103 0.322 5.550 11.573 1.00 0.00 O ATOM 1608 CB THR A 103 -2.370 7.238 10.351 1.00 0.00 C ATOM 1609 OG1 THR A 103 -3.195 8.041 11.175 1.00 0.00 O ATOM 1610 CG2 THR A 103 -2.848 5.813 10.473 1.00 0.00 C ATOM 0 H THR A 103 -0.910 8.681 9.038 1.00 0.00 H new ATOM 0 HA THR A 103 -0.811 7.779 11.734 1.00 0.00 H new ATOM 0 HB THR A 103 -2.446 7.534 9.305 1.00 0.00 H new ATOM 0 HG1 THR A 103 -3.713 7.467 11.777 1.00 0.00 H new ATOM 0 HG21 THR A 103 -3.903 5.759 10.206 1.00 0.00 H new ATOM 0 HG22 THR A 103 -2.271 5.177 9.802 1.00 0.00 H new ATOM 0 HG23 THR A 103 -2.715 5.471 11.500 1.00 0.00 H new ATOM 1618 N LEU A 104 -0.033 5.623 9.349 1.00 0.00 N ATOM 1619 CA LEU A 104 0.653 4.372 9.075 1.00 0.00 C ATOM 1620 C LEU A 104 2.124 4.485 9.421 1.00 0.00 C ATOM 1621 O LEU A 104 2.743 3.530 9.883 1.00 0.00 O ATOM 1622 CB LEU A 104 0.473 3.978 7.607 1.00 0.00 C ATOM 1623 CG LEU A 104 -0.664 2.985 7.338 1.00 0.00 C ATOM 1624 CD1 LEU A 104 -1.575 3.487 6.222 1.00 0.00 C ATOM 1625 CD2 LEU A 104 -0.099 1.613 6.995 1.00 0.00 C ATOM 0 H LEU A 104 -0.413 6.083 8.522 1.00 0.00 H new ATOM 0 HA LEU A 104 0.215 3.592 9.698 1.00 0.00 H new ATOM 0 HB2 LEU A 104 0.293 4.881 7.024 1.00 0.00 H new ATOM 0 HB3 LEU A 104 1.406 3.546 7.245 1.00 0.00 H new ATOM 0 HG LEU A 104 -1.262 2.897 8.245 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -2.373 2.764 6.051 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -2.008 4.445 6.509 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -0.995 3.611 5.307 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -0.918 0.919 6.807 1.00 0.00 H new ATOM 0 HD22 LEU A 104 0.525 1.689 6.104 1.00 0.00 H new ATOM 0 HD23 LEU A 104 0.501 1.248 7.828 1.00 0.00 H new ATOM 1637 N GLN A 105 2.670 5.667 9.207 1.00 0.00 N ATOM 1638 CA GLN A 105 4.065 5.927 9.505 1.00 0.00 C ATOM 1639 C GLN A 105 4.364 5.634 10.971 1.00 0.00 C ATOM 1640 O GLN A 105 5.457 5.187 11.316 1.00 0.00 O ATOM 1641 CB GLN A 105 4.379 7.383 9.192 1.00 0.00 C ATOM 1642 CG GLN A 105 5.186 7.576 7.918 1.00 0.00 C ATOM 1643 CD GLN A 105 6.230 8.668 8.049 1.00 0.00 C ATOM 1644 OE1 GLN A 105 6.843 8.834 9.104 1.00 0.00 O ATOM 1645 NE2 GLN A 105 6.438 9.419 6.974 1.00 0.00 N ATOM 0 H GLN A 105 2.165 6.467 8.825 1.00 0.00 H new ATOM 0 HA GLN A 105 4.688 5.276 8.892 1.00 0.00 H new ATOM 0 HB2 GLN A 105 3.444 7.936 9.106 1.00 0.00 H new ATOM 0 HB3 GLN A 105 4.929 7.814 10.028 1.00 0.00 H new ATOM 0 HG2 GLN A 105 5.677 6.638 7.658 1.00 0.00 H new ATOM 0 HG3 GLN A 105 4.511 7.820 7.098 1.00 0.00 H new ATOM 0 HE21 GLN A 105 5.907 9.246 6.120 1.00 0.00 H new ATOM 0 HE22 GLN A 105 7.129 10.169 7.002 1.00 0.00 H new ATOM 1654 N GLN A 106 3.383 5.890 11.832 1.00 0.00 N ATOM 1655 CA GLN A 106 3.545 5.649 13.255 1.00 0.00 C ATOM 1656 C GLN A 106 3.392 4.173 13.572 1.00 0.00 C ATOM 1657 O GLN A 106 4.203 3.592 14.293 1.00 0.00 O ATOM 1658 CB GLN A 106 2.537 6.472 14.059 1.00 0.00 C ATOM 1659 CG GLN A 106 3.026 7.872 14.395 1.00 0.00 C ATOM 1660 CD GLN A 106 1.890 8.865 14.544 1.00 0.00 C ATOM 1661 OE1 GLN A 106 0.877 8.577 15.182 1.00 0.00 O ATOM 1662 NE2 GLN A 106 2.053 10.044 13.955 1.00 0.00 N ATOM 0 H GLN A 106 2.472 6.263 11.566 1.00 0.00 H new ATOM 0 HA GLN A 106 4.551 5.959 13.538 1.00 0.00 H new ATOM 0 HB2 GLN A 106 1.608 6.546 13.494 1.00 0.00 H new ATOM 0 HB3 GLN A 106 2.306 5.945 14.985 1.00 0.00 H new ATOM 0 HG2 GLN A 106 3.600 7.840 15.321 1.00 0.00 H new ATOM 0 HG3 GLN A 106 3.703 8.214 13.612 1.00 0.00 H new ATOM 0 HE21 GLN A 106 2.909 10.241 13.436 1.00 0.00 H new ATOM 0 HE22 GLN A 106 1.322 10.753 14.022 1.00 0.00 H new ATOM 1671 N ILE A 107 2.347 3.572 13.022 1.00 0.00 N ATOM 1672 CA ILE A 107 2.081 2.164 13.235 1.00 0.00 C ATOM 1673 C ILE A 107 3.211 1.333 12.649 1.00 0.00 C ATOM 1674 O ILE A 107 3.768 0.463 13.318 1.00 0.00 O ATOM 1675 CB ILE A 107 0.742 1.744 12.606 1.00 0.00 C ATOM 1676 CG1 ILE A 107 -0.247 2.914 12.624 1.00 0.00 C ATOM 1677 CG2 ILE A 107 0.171 0.543 13.348 1.00 0.00 C ATOM 1678 CD1 ILE A 107 -1.697 2.503 12.509 1.00 0.00 C ATOM 0 H ILE A 107 1.669 4.043 12.423 1.00 0.00 H new ATOM 0 HA ILE A 107 2.017 1.990 14.309 1.00 0.00 H new ATOM 0 HB ILE A 107 0.913 1.460 11.568 1.00 0.00 H new ATOM 0 HG12 ILE A 107 -0.112 3.474 13.549 1.00 0.00 H new ATOM 0 HG13 ILE A 107 -0.007 3.590 11.804 1.00 0.00 H new ATOM 0 HG21 ILE A 107 -0.777 0.253 12.895 1.00 0.00 H new ATOM 0 HG22 ILE A 107 0.872 -0.289 13.287 1.00 0.00 H new ATOM 0 HG23 ILE A 107 0.009 0.805 14.394 1.00 0.00 H new ATOM 0 HD11 ILE A 107 -2.329 3.390 12.530 1.00 0.00 H new ATOM 0 HD12 ILE A 107 -1.851 1.970 11.571 1.00 0.00 H new ATOM 0 HD13 ILE A 107 -1.958 1.852 13.343 1.00 0.00 H new ATOM 1690 N ILE A 108 3.575 1.636 11.405 1.00 0.00 N ATOM 1691 CA ILE A 108 4.673 0.944 10.745 1.00 0.00 C ATOM 1692 C ILE A 108 5.904 1.021 11.627 1.00 0.00 C ATOM 1693 O ILE A 108 6.662 0.061 11.761 1.00 0.00 O ATOM 1694 CB ILE A 108 4.974 1.559 9.359 1.00 0.00 C ATOM 1695 CG1 ILE A 108 5.426 0.473 8.384 1.00 0.00 C ATOM 1696 CG2 ILE A 108 6.019 2.663 9.452 1.00 0.00 C ATOM 1697 CD1 ILE A 108 6.752 -0.153 8.756 1.00 0.00 C ATOM 0 H ILE A 108 3.126 2.354 10.837 1.00 0.00 H new ATOM 0 HA ILE A 108 4.389 -0.097 10.589 1.00 0.00 H new ATOM 0 HB ILE A 108 4.054 2.008 8.985 1.00 0.00 H new ATOM 0 HG12 ILE A 108 4.664 -0.306 8.340 1.00 0.00 H new ATOM 0 HG13 ILE A 108 5.502 0.901 7.384 1.00 0.00 H new ATOM 0 HG21 ILE A 108 6.205 3.072 8.459 1.00 0.00 H new ATOM 0 HG22 ILE A 108 5.655 3.454 10.108 1.00 0.00 H new ATOM 0 HG23 ILE A 108 6.945 2.254 9.856 1.00 0.00 H new ATOM 0 HD11 ILE A 108 7.013 -0.915 8.022 1.00 0.00 H new ATOM 0 HD12 ILE A 108 7.525 0.615 8.772 1.00 0.00 H new ATOM 0 HD13 ILE A 108 6.674 -0.610 9.742 1.00 0.00 H new ATOM 1709 N SER A 109 6.064 2.179 12.249 1.00 0.00 N ATOM 1710 CA SER A 109 7.173 2.412 13.159 1.00 0.00 C ATOM 1711 C SER A 109 7.010 1.538 14.395 1.00 0.00 C ATOM 1712 O SER A 109 7.988 1.034 14.948 1.00 0.00 O ATOM 1713 CB SER A 109 7.238 3.887 13.559 1.00 0.00 C ATOM 1714 OG SER A 109 8.463 4.187 14.205 1.00 0.00 O ATOM 0 H SER A 109 5.436 2.975 12.139 1.00 0.00 H new ATOM 0 HA SER A 109 8.105 2.153 12.656 1.00 0.00 H new ATOM 0 HB2 SER A 109 7.128 4.512 12.673 1.00 0.00 H new ATOM 0 HB3 SER A 109 6.406 4.124 14.222 1.00 0.00 H new ATOM 0 HG SER A 109 8.480 5.136 14.449 1.00 0.00 H new ATOM 1720 N ARG A 110 5.760 1.355 14.819 1.00 0.00 N ATOM 1721 CA ARG A 110 5.462 0.532 15.985 1.00 0.00 C ATOM 1722 C ARG A 110 5.792 -0.930 15.709 1.00 0.00 C ATOM 1723 O ARG A 110 6.405 -1.605 16.536 1.00 0.00 O ATOM 1724 CB ARG A 110 3.986 0.662 16.370 1.00 0.00 C ATOM 1725 CG ARG A 110 3.582 2.063 16.795 1.00 0.00 C ATOM 1726 CD ARG A 110 2.555 2.029 17.915 1.00 0.00 C ATOM 1727 NE ARG A 110 2.153 3.371 18.331 1.00 0.00 N ATOM 1728 CZ ARG A 110 2.937 4.201 19.016 1.00 0.00 C ATOM 1729 NH1 ARG A 110 4.164 3.831 19.363 1.00 0.00 N ATOM 1730 NH2 ARG A 110 2.494 5.404 19.353 1.00 0.00 N ATOM 0 H ARG A 110 4.940 1.766 14.372 1.00 0.00 H new ATOM 0 HA ARG A 110 6.078 0.884 16.812 1.00 0.00 H new ATOM 0 HB2 ARG A 110 3.371 0.359 15.522 1.00 0.00 H new ATOM 0 HB3 ARG A 110 3.771 -0.030 17.184 1.00 0.00 H new ATOM 0 HG2 ARG A 110 4.463 2.613 17.124 1.00 0.00 H new ATOM 0 HG3 ARG A 110 3.172 2.600 15.940 1.00 0.00 H new ATOM 0 HD2 ARG A 110 1.677 1.474 17.585 1.00 0.00 H new ATOM 0 HD3 ARG A 110 2.968 1.493 18.770 1.00 0.00 H new ATOM 0 HE ARG A 110 1.217 3.691 18.082 1.00 0.00 H new ATOM 0 HH11 ARG A 110 4.510 2.907 19.105 1.00 0.00 H new ATOM 0 HH12 ARG A 110 4.760 4.471 19.888 1.00 0.00 H new ATOM 0 HH21 ARG A 110 1.553 5.694 19.088 1.00 0.00 H new ATOM 0 HH22 ARG A 110 3.094 6.040 19.878 1.00 0.00 H new ATOM 1744 N TYR A 111 5.382 -1.414 14.540 1.00 0.00 N ATOM 1745 CA TYR A 111 5.636 -2.797 14.157 1.00 0.00 C ATOM 1746 C TYR A 111 7.118 -3.022 13.873 1.00 0.00 C ATOM 1747 O TYR A 111 7.608 -4.149 13.942 1.00 0.00 O ATOM 1748 CB TYR A 111 4.798 -3.171 12.933 1.00 0.00 C ATOM 1749 CG TYR A 111 3.359 -3.493 13.267 1.00 0.00 C ATOM 1750 CD1 TYR A 111 2.413 -2.484 13.411 1.00 0.00 C ATOM 1751 CD2 TYR A 111 2.949 -4.808 13.446 1.00 0.00 C ATOM 1752 CE1 TYR A 111 1.099 -2.779 13.724 1.00 0.00 C ATOM 1753 CE2 TYR A 111 1.638 -5.110 13.756 1.00 0.00 C ATOM 1754 CZ TYR A 111 0.718 -4.094 13.894 1.00 0.00 C ATOM 1755 OH TYR A 111 -0.587 -4.395 14.202 1.00 0.00 O ATOM 0 H TYR A 111 4.874 -0.869 13.844 1.00 0.00 H new ATOM 0 HA TYR A 111 5.349 -3.438 14.990 1.00 0.00 H new ATOM 0 HB2 TYR A 111 4.822 -2.347 12.220 1.00 0.00 H new ATOM 0 HB3 TYR A 111 5.251 -4.032 12.441 1.00 0.00 H new ATOM 0 HD1 TYR A 111 2.709 -1.454 13.276 1.00 0.00 H new ATOM 0 HD2 TYR A 111 3.668 -5.607 13.341 1.00 0.00 H new ATOM 0 HE1 TYR A 111 0.375 -1.985 13.835 1.00 0.00 H new ATOM 0 HE2 TYR A 111 1.335 -6.138 13.890 1.00 0.00 H new ATOM 0 HH TYR A 111 -1.184 -3.763 13.750 1.00 0.00 H new ATOM 1765 N LYS A 112 7.831 -1.943 13.562 1.00 0.00 N ATOM 1766 CA LYS A 112 9.258 -2.027 13.278 1.00 0.00 C ATOM 1767 C LYS A 112 10.067 -2.019 14.572 1.00 0.00 C ATOM 1768 O LYS A 112 11.150 -2.599 14.642 1.00 0.00 O ATOM 1769 CB LYS A 112 9.693 -0.866 12.380 1.00 0.00 C ATOM 1770 CG LYS A 112 10.385 -1.312 11.102 1.00 0.00 C ATOM 1771 CD LYS A 112 9.381 -1.606 9.997 1.00 0.00 C ATOM 1772 CE LYS A 112 9.798 -0.969 8.680 1.00 0.00 C ATOM 1773 NZ LYS A 112 11.184 -1.349 8.293 1.00 0.00 N ATOM 0 H LYS A 112 7.443 -1.002 13.501 1.00 0.00 H new ATOM 0 HA LYS A 112 9.446 -2.966 12.757 1.00 0.00 H new ATOM 0 HB2 LYS A 112 8.818 -0.270 12.121 1.00 0.00 H new ATOM 0 HB3 LYS A 112 10.366 -0.217 12.940 1.00 0.00 H new ATOM 0 HG2 LYS A 112 11.075 -0.536 10.771 1.00 0.00 H new ATOM 0 HG3 LYS A 112 10.980 -2.203 11.301 1.00 0.00 H new ATOM 0 HD2 LYS A 112 9.287 -2.684 9.867 1.00 0.00 H new ATOM 0 HD3 LYS A 112 8.399 -1.233 10.288 1.00 0.00 H new ATOM 0 HE2 LYS A 112 9.106 -1.273 7.895 1.00 0.00 H new ATOM 0 HE3 LYS A 112 9.729 0.116 8.764 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 11.294 -1.257 7.263 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 11.862 -0.722 8.771 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 11.365 -2.334 8.574 1.00 0.00 H new ATOM 1787 N ASP A 113 9.532 -1.358 15.595 1.00 0.00 N ATOM 1788 CA ASP A 113 10.205 -1.276 16.886 1.00 0.00 C ATOM 1789 C ASP A 113 10.131 -2.610 17.623 1.00 0.00 C ATOM 1790 O ASP A 113 11.071 -3.002 18.314 1.00 0.00 O ATOM 1791 CB ASP A 113 9.580 -0.172 17.741 1.00 0.00 C ATOM 1792 CG ASP A 113 10.314 0.028 19.053 1.00 0.00 C ATOM 1793 OD1 ASP A 113 11.318 0.770 19.064 1.00 0.00 O ATOM 1794 OD2 ASP A 113 9.883 -0.557 20.069 1.00 0.00 O ATOM 0 H ASP A 113 8.636 -0.872 15.554 1.00 0.00 H new ATOM 0 HA ASP A 113 11.253 -1.038 16.707 1.00 0.00 H new ATOM 0 HB2 ASP A 113 9.582 0.763 17.181 1.00 0.00 H new ATOM 0 HB3 ASP A 113 8.538 -0.420 17.945 1.00 0.00 H new ATOM 1799 N ALA A 114 9.007 -3.303 17.471 1.00 0.00 N ATOM 1800 CA ALA A 114 8.810 -4.592 18.122 1.00 0.00 C ATOM 1801 C ALA A 114 9.851 -5.605 17.660 1.00 0.00 C ATOM 1802 O ALA A 114 10.524 -6.235 18.476 1.00 0.00 O ATOM 1803 CB ALA A 114 7.407 -5.112 17.848 1.00 0.00 C ATOM 0 H ALA A 114 8.219 -2.993 16.902 1.00 0.00 H new ATOM 0 HA ALA A 114 8.930 -4.451 19.196 1.00 0.00 H new ATOM 0 HB1 ALA A 114 7.273 -6.075 18.340 1.00 0.00 H new ATOM 0 HB2 ALA A 114 6.674 -4.403 18.234 1.00 0.00 H new ATOM 0 HB3 ALA A 114 7.266 -5.231 16.774 1.00 0.00 H new ATOM 1809 N ASP A 115 9.979 -5.756 16.346 1.00 0.00 N ATOM 1810 CA ASP A 115 10.940 -6.693 15.774 1.00 0.00 C ATOM 1811 C ASP A 115 12.368 -6.291 16.128 1.00 0.00 C ATOM 1812 O ASP A 115 12.835 -5.254 15.612 1.00 0.00 O ATOM 1813 CB ASP A 115 10.778 -6.758 14.255 1.00 0.00 C ATOM 1814 CG ASP A 115 9.737 -7.775 13.827 1.00 0.00 C ATOM 1815 OD1 ASP A 115 10.023 -8.988 13.909 1.00 0.00 O ATOM 1816 OD2 ASP A 115 8.636 -7.358 13.412 1.00 0.00 O ATOM 1817 OXT ASP A 115 13.007 -7.016 16.919 1.00 0.00 O ATOM 0 H ASP A 115 9.430 -5.242 15.657 1.00 0.00 H new ATOM 0 HA ASP A 115 10.744 -7.679 16.196 1.00 0.00 H new ATOM 0 HB2 ASP A 115 10.496 -5.774 13.880 1.00 0.00 H new ATOM 0 HB3 ASP A 115 11.736 -7.010 13.801 1.00 0.00 H new ATOM 2088 N PHE B 475 4.556 1.498 -12.412 1.00 0.00 N ATOM 2089 CA PHE B 475 3.929 1.957 -11.185 1.00 0.00 C ATOM 2090 C PHE B 475 4.881 1.787 -10.009 1.00 0.00 C ATOM 2091 O PHE B 475 4.842 2.568 -9.061 1.00 0.00 O ATOM 2092 CB PHE B 475 2.621 1.178 -10.969 1.00 0.00 C ATOM 2093 CG PHE B 475 1.970 1.347 -9.624 1.00 0.00 C ATOM 2094 CD1 PHE B 475 2.601 0.919 -8.466 1.00 0.00 C ATOM 2095 CD2 PHE B 475 0.707 1.914 -9.523 1.00 0.00 C ATOM 2096 CE1 PHE B 475 1.990 1.058 -7.238 1.00 0.00 C ATOM 2097 CE2 PHE B 475 0.091 2.051 -8.295 1.00 0.00 C ATOM 2098 CZ PHE B 475 0.734 1.623 -7.152 1.00 0.00 C ATOM 0 HA PHE B 475 3.695 3.019 -11.262 1.00 0.00 H new ATOM 0 HB2 PHE B 475 1.909 1.482 -11.736 1.00 0.00 H new ATOM 0 HB3 PHE B 475 2.823 0.118 -11.123 1.00 0.00 H new ATOM 0 HD1 PHE B 475 3.582 0.472 -8.527 1.00 0.00 H new ATOM 0 HD2 PHE B 475 0.200 2.252 -10.415 1.00 0.00 H new ATOM 0 HE1 PHE B 475 2.494 0.725 -6.343 1.00 0.00 H new ATOM 0 HE2 PHE B 475 -0.892 2.492 -8.229 1.00 0.00 H new ATOM 0 HZ PHE B 475 0.255 1.730 -6.190 1.00 0.00 H new ATOM 2108 N GLU B 476 5.744 0.773 -10.067 1.00 0.00 N ATOM 2109 CA GLU B 476 6.689 0.553 -8.986 1.00 0.00 C ATOM 2110 C GLU B 476 7.769 1.625 -8.987 1.00 0.00 C ATOM 2111 O GLU B 476 8.338 1.943 -7.942 1.00 0.00 O ATOM 2112 CB GLU B 476 7.328 -0.826 -9.062 1.00 0.00 C ATOM 2113 CG GLU B 476 6.434 -1.947 -8.555 1.00 0.00 C ATOM 2114 CD GLU B 476 6.718 -3.272 -9.234 1.00 0.00 C ATOM 2115 OE1 GLU B 476 7.060 -3.263 -10.435 1.00 0.00 O ATOM 2116 OE2 GLU B 476 6.599 -4.320 -8.564 1.00 0.00 O ATOM 0 H GLU B 476 5.805 0.106 -10.836 1.00 0.00 H new ATOM 0 HA GLU B 476 6.127 0.612 -8.054 1.00 0.00 H new ATOM 0 HB2 GLU B 476 7.602 -1.032 -10.097 1.00 0.00 H new ATOM 0 HB3 GLU B 476 8.251 -0.820 -8.483 1.00 0.00 H new ATOM 0 HG2 GLU B 476 6.571 -2.058 -7.479 1.00 0.00 H new ATOM 0 HG3 GLU B 476 5.391 -1.676 -8.717 1.00 0.00 H new ATOM 2123 N GLN B 477 8.038 2.202 -10.156 1.00 0.00 N ATOM 2124 CA GLN B 477 9.039 3.260 -10.261 1.00 0.00 C ATOM 2125 C GLN B 477 8.600 4.449 -9.432 1.00 0.00 C ATOM 2126 O GLN B 477 9.381 5.001 -8.657 1.00 0.00 O ATOM 2127 CB GLN B 477 9.258 3.668 -11.719 1.00 0.00 C ATOM 2128 CG GLN B 477 9.900 2.581 -12.565 1.00 0.00 C ATOM 2129 CD GLN B 477 10.934 3.128 -13.529 1.00 0.00 C ATOM 2130 OE1 GLN B 477 10.973 4.327 -13.802 1.00 0.00 O ATOM 2131 NE2 GLN B 477 11.780 2.247 -14.052 1.00 0.00 N ATOM 0 H GLN B 477 7.582 1.958 -11.035 1.00 0.00 H new ATOM 0 HA GLN B 477 9.989 2.886 -9.880 1.00 0.00 H new ATOM 0 HB2 GLN B 477 8.299 3.940 -12.159 1.00 0.00 H new ATOM 0 HB3 GLN B 477 9.886 4.558 -11.748 1.00 0.00 H new ATOM 0 HG2 GLN B 477 10.371 1.847 -11.911 1.00 0.00 H new ATOM 0 HG3 GLN B 477 9.126 2.058 -13.126 1.00 0.00 H new ATOM 0 HE21 GLN B 477 11.712 1.262 -13.798 1.00 0.00 H new ATOM 0 HE22 GLN B 477 12.498 2.556 -14.708 1.00 0.00 H new ATOM 2140 N MET B 478 7.324 4.799 -9.544 1.00 0.00 N ATOM 2141 CA MET B 478 6.779 5.875 -8.739 1.00 0.00 C ATOM 2142 C MET B 478 6.500 5.330 -7.340 1.00 0.00 C ATOM 2143 O MET B 478 5.960 6.023 -6.478 1.00 0.00 O ATOM 2144 CB MET B 478 5.489 6.416 -9.358 1.00 0.00 C ATOM 2145 CG MET B 478 5.711 7.543 -10.354 1.00 0.00 C ATOM 2146 SD MET B 478 4.236 7.909 -11.327 1.00 0.00 S ATOM 2147 CE MET B 478 3.244 8.798 -10.128 1.00 0.00 C ATOM 0 H MET B 478 6.658 4.357 -10.177 1.00 0.00 H new ATOM 0 HA MET B 478 7.495 6.696 -8.691 1.00 0.00 H new ATOM 0 HB2 MET B 478 4.967 5.600 -9.858 1.00 0.00 H new ATOM 0 HB3 MET B 478 4.836 6.772 -8.561 1.00 0.00 H new ATOM 0 HG2 MET B 478 6.021 8.441 -9.819 1.00 0.00 H new ATOM 0 HG3 MET B 478 6.527 7.275 -11.025 1.00 0.00 H new ATOM 0 HE1 MET B 478 2.329 8.241 -9.928 1.00 0.00 H new ATOM 0 HE2 MET B 478 3.808 8.913 -9.202 1.00 0.00 H new ATOM 0 HE3 MET B 478 2.991 9.782 -10.523 1.00 0.00 H new ATOM 2157 N PHE B 479 6.864 4.058 -7.145 1.00 0.00 N ATOM 2158 CA PHE B 479 6.655 3.367 -5.889 1.00 0.00 C ATOM 2159 C PHE B 479 7.948 2.777 -5.339 1.00 0.00 C ATOM 2160 O PHE B 479 7.919 1.772 -4.628 1.00 0.00 O ATOM 2161 CB PHE B 479 5.633 2.257 -6.087 1.00 0.00 C ATOM 2162 CG PHE B 479 4.234 2.724 -5.843 1.00 0.00 C ATOM 2163 CD1 PHE B 479 3.619 3.598 -6.721 1.00 0.00 C ATOM 2164 CD2 PHE B 479 3.541 2.308 -4.725 1.00 0.00 C ATOM 2165 CE1 PHE B 479 2.338 4.048 -6.482 1.00 0.00 C ATOM 2166 CE2 PHE B 479 2.261 2.752 -4.490 1.00 0.00 C ATOM 2167 CZ PHE B 479 1.659 3.623 -5.364 1.00 0.00 C ATOM 0 H PHE B 479 7.312 3.486 -7.861 1.00 0.00 H new ATOM 0 HA PHE B 479 6.289 4.095 -5.165 1.00 0.00 H new ATOM 0 HB2 PHE B 479 5.713 1.870 -7.103 1.00 0.00 H new ATOM 0 HB3 PHE B 479 5.861 1.432 -5.413 1.00 0.00 H new ATOM 0 HD1 PHE B 479 4.147 3.931 -7.602 1.00 0.00 H new ATOM 0 HD2 PHE B 479 4.008 1.628 -4.028 1.00 0.00 H new ATOM 0 HE1 PHE B 479 1.868 4.733 -7.172 1.00 0.00 H new ATOM 0 HE2 PHE B 479 1.727 2.414 -3.614 1.00 0.00 H new ATOM 0 HZ PHE B 479 0.655 3.973 -5.174 1.00 0.00 H new ATOM 2177 N THR B 480 9.078 3.399 -5.650 1.00 0.00 N ATOM 2178 CA THR B 480 10.352 2.914 -5.158 1.00 0.00 C ATOM 2179 C THR B 480 11.022 3.981 -4.302 1.00 0.00 C ATOM 2180 O THR B 480 11.566 4.960 -4.811 1.00 0.00 O ATOM 2181 CB THR B 480 11.263 2.521 -6.322 1.00 0.00 C ATOM 2182 OG1 THR B 480 10.650 1.528 -7.125 1.00 0.00 O ATOM 2183 CG2 THR B 480 12.606 1.985 -5.876 1.00 0.00 C ATOM 0 H THR B 480 9.134 4.232 -6.235 1.00 0.00 H new ATOM 0 HA THR B 480 10.174 2.030 -4.546 1.00 0.00 H new ATOM 0 HB THR B 480 11.425 3.440 -6.885 1.00 0.00 H new ATOM 0 HG1 THR B 480 9.951 1.938 -7.676 1.00 0.00 H new ATOM 0 HG21 THR B 480 13.203 1.725 -6.750 1.00 0.00 H new ATOM 0 HG22 THR B 480 13.127 2.746 -5.294 1.00 0.00 H new ATOM 0 HG23 THR B 480 12.458 1.097 -5.261 1.00 0.00 H new ATOM 2191 N ASP B 481 10.960 3.775 -2.986 1.00 0.00 N ATOM 2192 CA ASP B 481 11.538 4.702 -2.018 1.00 0.00 C ATOM 2193 C ASP B 481 11.201 6.149 -2.370 1.00 0.00 C ATOM 2194 O ASP B 481 11.901 6.788 -3.156 1.00 0.00 O ATOM 2195 CB ASP B 481 13.054 4.519 -1.944 1.00 0.00 C ATOM 2196 CG ASP B 481 13.627 4.971 -0.615 1.00 0.00 C ATOM 2197 OD1 ASP B 481 13.344 4.313 0.408 1.00 0.00 O ATOM 2198 OD2 ASP B 481 14.359 5.983 -0.597 1.00 0.00 O ATOM 0 H ASP B 481 10.509 2.963 -2.564 1.00 0.00 H new ATOM 0 HA ASP B 481 11.105 4.479 -1.043 1.00 0.00 H new ATOM 0 HB2 ASP B 481 13.299 3.469 -2.104 1.00 0.00 H new ATOM 0 HB3 ASP B 481 13.525 5.082 -2.750 1.00 0.00 H new ATOM 2203 N ALA B 482 10.123 6.657 -1.782 1.00 0.00 N ATOM 2204 CA ALA B 482 9.690 8.026 -2.032 1.00 0.00 C ATOM 2205 C ALA B 482 9.398 8.758 -0.726 1.00 0.00 C ATOM 2206 O ALA B 482 8.546 9.644 -0.676 1.00 0.00 O ATOM 2207 CB ALA B 482 8.461 8.030 -2.931 1.00 0.00 C ATOM 0 H ALA B 482 9.533 6.141 -1.129 1.00 0.00 H new ATOM 0 HA ALA B 482 10.500 8.553 -2.537 1.00 0.00 H new ATOM 0 HB1 ALA B 482 8.146 9.058 -3.112 1.00 0.00 H new ATOM 0 HB2 ALA B 482 8.703 7.553 -3.880 1.00 0.00 H new ATOM 0 HB3 ALA B 482 7.653 7.483 -2.445 1.00 0.00 H new