USER MOD reduce.3.24.130724 H: found=0, std=0, add=830, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 830 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 88 LYS NZ :NH3+ 133:sc= 0.352 (180deg=-0.139) USER MOD Set 1.2: A 92 GLN : amide:sc= 0.353 K(o=0.71,f=-0.14) USER MOD Single : A 1 MET CE :methyl -165:sc= -0.0228 (180deg=-0.303) USER MOD Single : A 1 MET N :NH3+ -158:sc= 1.36 (180deg=0.794) USER MOD Single : A 2 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 6 LYS NZ :NH3+ -158:sc= -0.0807 (180deg=-0.592) USER MOD Single : A 12 SER OG : rot 89:sc= -0.606! USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 21 MET CE :methyl 167:sc= -2.05 (180deg=-2.28) USER MOD Single : A 22 THR OG1 : rot 109:sc= 1.37 USER MOD Single : A 30 ASN : amide:sc=-0.00233 K(o=-0.0023,f=-0.96) USER MOD Single : A 31 THR OG1 : rot 123:sc= -0.886! USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ -138:sc= 0.783 (180deg=-0.0388) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 THR OG1 : rot 180:sc= 0.0354 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 GLN : amide:sc= -0.335 X(o=-0.34,f=-0.069) USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 68 ASN : amide:sc= 0.935 K(o=0.94,f=-0.99) USER MOD Single : A 69 SER OG : rot -40:sc= 1.23 USER MOD Single : A 72 SER OG : rot 84:sc= 1.24 USER MOD Single : A 77 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 79 LYS NZ :NH3+ -128:sc= 0.16 (180deg=-0.132) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 THR OG1 : rot 180:sc= 0.0253 USER MOD Single : A 89 LYS NZ :NH3+ -164:sc= -0.0758 (180deg=-0.413) USER MOD Single : A 90 TYR OH : rot 180:sc= 1.09 USER MOD Single : A 96 HIS : no HD1:sc= -0.961 K(o=-0.96,f=0.04) USER MOD Single : A 97 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 98 HIS : no HD1:sc= -0.639 X(o=-0.64,f=-0.34) USER MOD Single : A 99 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 100 HIS : no HD1:sc= -0.0627 X(o=-0.063,f=0) USER MOD Single : A 101 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 9.408 22.805 -27.627 1.00 0.00 N ATOM 2 CA MET A 1 8.528 21.702 -28.078 1.00 0.00 C ATOM 3 C MET A 1 7.306 21.615 -27.178 1.00 0.00 C ATOM 4 O MET A 1 7.243 22.284 -26.146 1.00 0.00 O ATOM 5 CB MET A 1 9.285 20.365 -28.063 1.00 0.00 C ATOM 6 CG MET A 1 9.570 19.820 -26.665 1.00 0.00 C ATOM 7 SD MET A 1 10.669 20.870 -25.693 1.00 0.00 S ATOM 8 CE MET A 1 12.208 20.684 -26.595 1.00 0.00 C ATOM 0 H1 MET A 1 10.017 23.107 -28.414 1.00 0.00 H new ATOM 0 H2 MET A 1 8.826 23.607 -27.312 1.00 0.00 H new ATOM 0 H3 MET A 1 10.000 22.476 -26.838 1.00 0.00 H new ATOM 0 HA MET A 1 8.209 21.908 -29.100 1.00 0.00 H new ATOM 0 HB2 MET A 1 8.706 19.626 -28.617 1.00 0.00 H new ATOM 0 HB3 MET A 1 10.230 20.490 -28.591 1.00 0.00 H new ATOM 0 HG2 MET A 1 8.627 19.702 -26.131 1.00 0.00 H new ATOM 0 HG3 MET A 1 10.013 18.828 -26.754 1.00 0.00 H new ATOM 0 HE1 MET A 1 13.034 21.046 -25.983 1.00 0.00 H new ATOM 0 HE2 MET A 1 12.366 19.632 -26.832 1.00 0.00 H new ATOM 0 HE3 MET A 1 12.160 21.261 -27.519 1.00 0.00 H new ATOM 20 N MET A 2 6.335 20.801 -27.565 1.00 0.00 N ATOM 21 CA MET A 2 5.171 20.572 -26.723 1.00 0.00 C ATOM 22 C MET A 2 5.448 19.419 -25.771 1.00 0.00 C ATOM 23 O MET A 2 6.312 18.579 -26.040 1.00 0.00 O ATOM 24 CB MET A 2 3.923 20.263 -27.560 1.00 0.00 C ATOM 25 CG MET A 2 3.981 18.923 -28.278 1.00 0.00 C ATOM 26 SD MET A 2 2.408 18.474 -29.041 1.00 0.00 S ATOM 27 CE MET A 2 2.854 16.941 -29.854 1.00 0.00 C ATOM 0 H MET A 2 6.329 20.292 -28.449 1.00 0.00 H new ATOM 0 HA MET A 2 4.979 21.483 -26.157 1.00 0.00 H new ATOM 0 HB2 MET A 2 3.048 20.279 -26.910 1.00 0.00 H new ATOM 0 HB3 MET A 2 3.787 21.054 -28.297 1.00 0.00 H new ATOM 0 HG2 MET A 2 4.755 18.959 -29.045 1.00 0.00 H new ATOM 0 HG3 MET A 2 4.271 18.148 -27.569 1.00 0.00 H new ATOM 0 HE1 MET A 2 1.984 16.537 -30.372 1.00 0.00 H new ATOM 0 HE2 MET A 2 3.650 17.129 -30.574 1.00 0.00 H new ATOM 0 HE3 MET A 2 3.199 16.222 -29.111 1.00 0.00 H new ATOM 37 N PHE A 3 4.736 19.380 -24.659 1.00 0.00 N ATOM 38 CA PHE A 3 4.855 18.268 -23.735 1.00 0.00 C ATOM 39 C PHE A 3 4.147 17.054 -24.316 1.00 0.00 C ATOM 40 O PHE A 3 3.009 17.154 -24.782 1.00 0.00 O ATOM 41 CB PHE A 3 4.278 18.631 -22.364 1.00 0.00 C ATOM 42 CG PHE A 3 4.997 19.768 -21.700 1.00 0.00 C ATOM 43 CD1 PHE A 3 6.139 19.537 -20.954 1.00 0.00 C ATOM 44 CD2 PHE A 3 4.530 21.066 -21.822 1.00 0.00 C ATOM 45 CE1 PHE A 3 6.805 20.578 -20.341 1.00 0.00 C ATOM 46 CE2 PHE A 3 5.192 22.114 -21.212 1.00 0.00 C ATOM 47 CZ PHE A 3 6.330 21.869 -20.469 1.00 0.00 C ATOM 0 H PHE A 3 4.073 20.101 -24.375 1.00 0.00 H new ATOM 0 HA PHE A 3 5.910 18.034 -23.594 1.00 0.00 H new ATOM 0 HB2 PHE A 3 3.226 18.892 -22.478 1.00 0.00 H new ATOM 0 HB3 PHE A 3 4.321 17.755 -21.716 1.00 0.00 H new ATOM 0 HD1 PHE A 3 6.514 18.529 -20.850 1.00 0.00 H new ATOM 0 HD2 PHE A 3 3.639 21.261 -22.400 1.00 0.00 H new ATOM 0 HE1 PHE A 3 7.696 20.384 -19.762 1.00 0.00 H new ATOM 0 HE2 PHE A 3 4.820 23.123 -21.316 1.00 0.00 H new ATOM 0 HZ PHE A 3 6.848 22.686 -19.989 1.00 0.00 H new ATOM 57 N LEU A 4 4.838 15.920 -24.309 1.00 0.00 N ATOM 58 CA LEU A 4 4.319 14.693 -24.904 1.00 0.00 C ATOM 59 C LEU A 4 3.114 14.170 -24.126 1.00 0.00 C ATOM 60 O LEU A 4 2.784 14.679 -23.051 1.00 0.00 O ATOM 61 CB LEU A 4 5.407 13.612 -24.975 1.00 0.00 C ATOM 62 CG LEU A 4 6.489 13.825 -26.043 1.00 0.00 C ATOM 63 CD1 LEU A 4 7.422 14.965 -25.668 1.00 0.00 C ATOM 64 CD2 LEU A 4 7.276 12.544 -26.266 1.00 0.00 C ATOM 0 H LEU A 4 5.765 15.824 -23.895 1.00 0.00 H new ATOM 0 HA LEU A 4 3.999 14.932 -25.918 1.00 0.00 H new ATOM 0 HB2 LEU A 4 5.892 13.546 -24.001 1.00 0.00 H new ATOM 0 HB3 LEU A 4 4.927 12.651 -25.157 1.00 0.00 H new ATOM 0 HG LEU A 4 5.990 14.096 -26.973 1.00 0.00 H new ATOM 0 HD11 LEU A 4 8.176 15.089 -26.445 1.00 0.00 H new ATOM 0 HD12 LEU A 4 6.849 15.887 -25.568 1.00 0.00 H new ATOM 0 HD13 LEU A 4 7.911 14.738 -24.721 1.00 0.00 H new ATOM 0 HD21 LEU A 4 8.039 12.713 -27.026 1.00 0.00 H new ATOM 0 HD22 LEU A 4 7.754 12.243 -25.333 1.00 0.00 H new ATOM 0 HD23 LEU A 4 6.601 11.755 -26.599 1.00 0.00 H new ATOM 76 N ARG A 5 2.485 13.131 -24.656 1.00 0.00 N ATOM 77 CA ARG A 5 1.252 12.602 -24.088 1.00 0.00 C ATOM 78 C ARG A 5 1.547 11.641 -22.941 1.00 0.00 C ATOM 79 O ARG A 5 1.112 10.487 -22.925 1.00 0.00 O ATOM 80 CB ARG A 5 0.421 11.946 -25.191 1.00 0.00 C ATOM 81 CG ARG A 5 -0.163 12.969 -26.152 1.00 0.00 C ATOM 82 CD ARG A 5 -0.813 12.332 -27.367 1.00 0.00 C ATOM 83 NE ARG A 5 -1.518 13.333 -28.166 1.00 0.00 N ATOM 84 CZ ARG A 5 -1.057 13.856 -29.305 1.00 0.00 C ATOM 85 NH1 ARG A 5 0.079 13.421 -29.837 1.00 0.00 N ATOM 86 NH2 ARG A 5 -1.733 14.822 -29.911 1.00 0.00 N ATOM 0 H ARG A 5 2.811 12.634 -25.485 1.00 0.00 H new ATOM 0 HA ARG A 5 0.669 13.420 -23.666 1.00 0.00 H new ATOM 0 HB2 ARG A 5 1.044 11.244 -25.745 1.00 0.00 H new ATOM 0 HB3 ARG A 5 -0.387 11.369 -24.741 1.00 0.00 H new ATOM 0 HG2 ARG A 5 -0.901 13.574 -25.626 1.00 0.00 H new ATOM 0 HG3 ARG A 5 0.627 13.644 -26.481 1.00 0.00 H new ATOM 0 HD2 ARG A 5 -0.053 11.843 -27.977 1.00 0.00 H new ATOM 0 HD3 ARG A 5 -1.511 11.558 -27.047 1.00 0.00 H new ATOM 0 HE ARG A 5 -2.426 13.655 -27.830 1.00 0.00 H new ATOM 0 HH11 ARG A 5 0.608 12.681 -29.375 1.00 0.00 H new ATOM 0 HH12 ARG A 5 0.423 13.827 -30.707 1.00 0.00 H new ATOM 0 HH21 ARG A 5 -2.605 15.165 -29.507 1.00 0.00 H new ATOM 0 HH22 ARG A 5 -1.382 15.222 -30.781 1.00 0.00 H new ATOM 100 N LYS A 6 2.301 12.157 -21.984 1.00 0.00 N ATOM 101 CA LYS A 6 2.663 11.438 -20.776 1.00 0.00 C ATOM 102 C LYS A 6 2.302 12.311 -19.577 1.00 0.00 C ATOM 103 O LYS A 6 2.632 12.012 -18.430 1.00 0.00 O ATOM 104 CB LYS A 6 4.166 11.137 -20.796 1.00 0.00 C ATOM 105 CG LYS A 6 4.634 10.149 -19.738 1.00 0.00 C ATOM 106 CD LYS A 6 4.049 8.765 -19.966 1.00 0.00 C ATOM 107 CE LYS A 6 4.738 7.726 -19.098 1.00 0.00 C ATOM 108 NZ LYS A 6 6.181 7.603 -19.431 1.00 0.00 N ATOM 0 H LYS A 6 2.684 13.101 -22.026 1.00 0.00 H new ATOM 0 HA LYS A 6 2.126 10.492 -20.711 1.00 0.00 H new ATOM 0 HB2 LYS A 6 4.431 10.748 -21.779 1.00 0.00 H new ATOM 0 HB3 LYS A 6 4.711 12.072 -20.666 1.00 0.00 H new ATOM 0 HG2 LYS A 6 5.722 10.091 -19.750 1.00 0.00 H new ATOM 0 HG3 LYS A 6 4.345 10.509 -18.750 1.00 0.00 H new ATOM 0 HD2 LYS A 6 2.982 8.778 -19.744 1.00 0.00 H new ATOM 0 HD3 LYS A 6 4.153 8.492 -21.016 1.00 0.00 H new ATOM 0 HE2 LYS A 6 4.628 7.998 -18.048 1.00 0.00 H new ATOM 0 HE3 LYS A 6 4.250 6.760 -19.230 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 6.532 6.676 -19.117 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 6.309 7.691 -20.459 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 6.714 8.356 -18.950 1.00 0.00 H new ATOM 122 N VAL A 7 1.576 13.390 -19.867 1.00 0.00 N ATOM 123 CA VAL A 7 1.267 14.415 -18.880 1.00 0.00 C ATOM 124 C VAL A 7 0.011 14.052 -18.077 1.00 0.00 C ATOM 125 O VAL A 7 -0.642 14.905 -17.475 1.00 0.00 O ATOM 126 CB VAL A 7 1.106 15.796 -19.571 1.00 0.00 C ATOM 127 CG1 VAL A 7 -0.161 15.846 -20.414 1.00 0.00 C ATOM 128 CG2 VAL A 7 1.146 16.936 -18.560 1.00 0.00 C ATOM 0 H VAL A 7 1.188 13.575 -20.792 1.00 0.00 H new ATOM 0 HA VAL A 7 2.099 14.475 -18.178 1.00 0.00 H new ATOM 0 HB VAL A 7 1.955 15.927 -20.242 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -0.246 16.825 -20.885 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -0.116 15.076 -21.184 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -1.029 15.673 -19.777 1.00 0.00 H new ATOM 0 HG21 VAL A 7 1.030 17.887 -19.079 1.00 0.00 H new ATOM 0 HG22 VAL A 7 0.335 16.814 -17.842 1.00 0.00 H new ATOM 0 HG23 VAL A 7 2.101 16.923 -18.035 1.00 0.00 H new ATOM 138 N GLU A 8 -0.291 12.763 -18.041 1.00 0.00 N ATOM 139 CA GLU A 8 -1.410 12.253 -17.256 1.00 0.00 C ATOM 140 C GLU A 8 -1.163 12.544 -15.780 1.00 0.00 C ATOM 141 O GLU A 8 -2.092 12.756 -14.997 1.00 0.00 O ATOM 142 CB GLU A 8 -1.561 10.743 -17.460 1.00 0.00 C ATOM 143 CG GLU A 8 -1.458 10.301 -18.914 1.00 0.00 C ATOM 144 CD GLU A 8 -2.471 10.977 -19.814 1.00 0.00 C ATOM 145 OE1 GLU A 8 -3.664 10.621 -19.745 1.00 0.00 O ATOM 146 OE2 GLU A 8 -2.071 11.855 -20.608 1.00 0.00 O ATOM 0 H GLU A 8 0.226 12.045 -18.549 1.00 0.00 H new ATOM 0 HA GLU A 8 -2.326 12.745 -17.583 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -0.794 10.230 -16.880 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -2.526 10.428 -17.063 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -0.454 10.514 -19.282 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -1.595 9.221 -18.970 1.00 0.00 H new ATOM 153 N GLY A 9 0.113 12.562 -15.427 1.00 0.00 N ATOM 154 CA GLY A 9 0.533 12.835 -14.071 1.00 0.00 C ATOM 155 C GLY A 9 1.967 12.403 -13.864 1.00 0.00 C ATOM 156 O GLY A 9 2.220 11.407 -13.198 1.00 0.00 O ATOM 0 H GLY A 9 0.881 12.388 -16.075 1.00 0.00 H new ATOM 0 HA2 GLY A 9 0.434 13.900 -13.861 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -0.116 12.310 -13.370 1.00 0.00 H new ATOM 160 N PRO A 10 2.937 13.144 -14.434 1.00 0.00 N ATOM 161 CA PRO A 10 4.353 12.738 -14.466 1.00 0.00 C ATOM 162 C PRO A 10 4.951 12.451 -13.094 1.00 0.00 C ATOM 163 O PRO A 10 5.980 11.783 -12.994 1.00 0.00 O ATOM 164 CB PRO A 10 5.063 13.927 -15.103 1.00 0.00 C ATOM 165 CG PRO A 10 4.005 14.623 -15.888 1.00 0.00 C ATOM 166 CD PRO A 10 2.734 14.443 -15.105 1.00 0.00 C ATOM 0 HA PRO A 10 4.464 11.801 -15.011 1.00 0.00 H new ATOM 0 HB2 PRO A 10 5.492 14.584 -14.346 1.00 0.00 H new ATOM 0 HB3 PRO A 10 5.882 13.602 -15.744 1.00 0.00 H new ATOM 0 HG2 PRO A 10 4.242 15.680 -16.013 1.00 0.00 H new ATOM 0 HG3 PRO A 10 3.914 14.196 -16.887 1.00 0.00 H new ATOM 0 HD2 PRO A 10 2.585 15.249 -14.387 1.00 0.00 H new ATOM 0 HD3 PRO A 10 1.859 14.429 -15.754 1.00 0.00 H new ATOM 174 N ARG A 11 4.321 12.949 -12.038 1.00 0.00 N ATOM 175 CA ARG A 11 4.765 12.629 -10.691 1.00 0.00 C ATOM 176 C ARG A 11 4.252 11.240 -10.318 1.00 0.00 C ATOM 177 O ARG A 11 3.438 11.078 -9.407 1.00 0.00 O ATOM 178 CB ARG A 11 4.281 13.681 -9.685 1.00 0.00 C ATOM 179 CG ARG A 11 5.053 13.651 -8.375 1.00 0.00 C ATOM 180 CD ARG A 11 6.536 13.887 -8.612 1.00 0.00 C ATOM 181 NE ARG A 11 7.325 13.769 -7.388 1.00 0.00 N ATOM 182 CZ ARG A 11 8.458 13.071 -7.303 1.00 0.00 C ATOM 183 NH1 ARG A 11 8.914 12.402 -8.356 1.00 0.00 N ATOM 184 NH2 ARG A 11 9.136 13.051 -6.164 1.00 0.00 N ATOM 0 H ARG A 11 3.512 13.568 -12.088 1.00 0.00 H new ATOM 0 HA ARG A 11 5.855 12.633 -10.661 1.00 0.00 H new ATOM 0 HB2 ARG A 11 4.372 14.671 -10.131 1.00 0.00 H new ATOM 0 HB3 ARG A 11 3.223 13.520 -9.480 1.00 0.00 H new ATOM 0 HG2 ARG A 11 4.663 14.414 -7.701 1.00 0.00 H new ATOM 0 HG3 ARG A 11 4.908 12.688 -7.885 1.00 0.00 H new ATOM 0 HD2 ARG A 11 6.902 13.169 -9.347 1.00 0.00 H new ATOM 0 HD3 ARG A 11 6.679 14.880 -9.038 1.00 0.00 H new ATOM 0 HE ARG A 11 6.990 14.247 -6.552 1.00 0.00 H new ATOM 0 HH11 ARG A 11 8.397 12.421 -9.235 1.00 0.00 H new ATOM 0 HH12 ARG A 11 9.781 11.870 -8.286 1.00 0.00 H new ATOM 0 HH21 ARG A 11 8.791 13.569 -5.356 1.00 0.00 H new ATOM 0 HH22 ARG A 11 10.003 12.518 -6.096 1.00 0.00 H new ATOM 198 N SER A 12 4.717 10.252 -11.067 1.00 0.00 N ATOM 199 CA SER A 12 4.261 8.878 -10.921 1.00 0.00 C ATOM 200 C SER A 12 5.367 7.966 -10.403 1.00 0.00 C ATOM 201 O SER A 12 6.556 8.223 -10.607 1.00 0.00 O ATOM 202 CB SER A 12 3.762 8.361 -12.273 1.00 0.00 C ATOM 203 OG SER A 12 2.499 8.906 -12.602 1.00 0.00 O ATOM 0 H SER A 12 5.421 10.380 -11.794 1.00 0.00 H new ATOM 0 HA SER A 12 3.452 8.869 -10.191 1.00 0.00 H new ATOM 0 HB2 SER A 12 4.483 8.616 -13.050 1.00 0.00 H new ATOM 0 HB3 SER A 12 3.694 7.273 -12.245 1.00 0.00 H new ATOM 0 HG SER A 12 2.623 9.746 -13.092 1.00 0.00 H new ATOM 209 N VAL A 13 4.960 6.903 -9.726 1.00 0.00 N ATOM 210 CA VAL A 13 5.873 5.862 -9.289 1.00 0.00 C ATOM 211 C VAL A 13 5.762 4.660 -10.219 1.00 0.00 C ATOM 212 O VAL A 13 4.665 4.288 -10.638 1.00 0.00 O ATOM 213 CB VAL A 13 5.594 5.417 -7.834 1.00 0.00 C ATOM 214 CG1 VAL A 13 5.996 6.505 -6.852 1.00 0.00 C ATOM 215 CG2 VAL A 13 4.126 5.053 -7.647 1.00 0.00 C ATOM 0 H VAL A 13 3.988 6.739 -9.465 1.00 0.00 H new ATOM 0 HA VAL A 13 6.882 6.273 -9.323 1.00 0.00 H new ATOM 0 HB VAL A 13 6.195 4.530 -7.635 1.00 0.00 H new ATOM 0 HG11 VAL A 13 5.791 6.171 -5.835 1.00 0.00 H new ATOM 0 HG12 VAL A 13 7.060 6.715 -6.957 1.00 0.00 H new ATOM 0 HG13 VAL A 13 5.425 7.410 -7.058 1.00 0.00 H new ATOM 0 HG21 VAL A 13 3.956 4.744 -6.616 1.00 0.00 H new ATOM 0 HG22 VAL A 13 3.505 5.920 -7.873 1.00 0.00 H new ATOM 0 HG23 VAL A 13 3.866 4.235 -8.319 1.00 0.00 H new ATOM 225 N THR A 14 6.894 4.076 -10.565 1.00 0.00 N ATOM 226 CA THR A 14 6.907 2.915 -11.435 1.00 0.00 C ATOM 227 C THR A 14 7.104 1.645 -10.616 1.00 0.00 C ATOM 228 O THR A 14 8.123 1.477 -9.947 1.00 0.00 O ATOM 229 CB THR A 14 8.014 3.026 -12.502 1.00 0.00 C ATOM 230 OG1 THR A 14 7.874 4.261 -13.223 1.00 0.00 O ATOM 231 CG2 THR A 14 7.952 1.860 -13.480 1.00 0.00 C ATOM 0 H THR A 14 7.816 4.386 -10.257 1.00 0.00 H new ATOM 0 HA THR A 14 5.945 2.870 -11.945 1.00 0.00 H new ATOM 0 HB THR A 14 8.978 3.001 -11.994 1.00 0.00 H new ATOM 0 HG1 THR A 14 8.581 4.327 -13.899 1.00 0.00 H new ATOM 0 HG21 THR A 14 8.744 1.964 -14.221 1.00 0.00 H new ATOM 0 HG22 THR A 14 8.083 0.923 -12.938 1.00 0.00 H new ATOM 0 HG23 THR A 14 6.984 1.857 -13.981 1.00 0.00 H new ATOM 239 N LEU A 15 6.114 0.770 -10.662 1.00 0.00 N ATOM 240 CA LEU A 15 6.170 -0.497 -9.952 1.00 0.00 C ATOM 241 C LEU A 15 6.999 -1.499 -10.747 1.00 0.00 C ATOM 242 O LEU A 15 6.953 -1.500 -11.980 1.00 0.00 O ATOM 243 CB LEU A 15 4.754 -1.042 -9.738 1.00 0.00 C ATOM 244 CG LEU A 15 3.790 -0.089 -9.032 1.00 0.00 C ATOM 245 CD1 LEU A 15 2.396 -0.688 -8.984 1.00 0.00 C ATOM 246 CD2 LEU A 15 4.277 0.220 -7.625 1.00 0.00 C ATOM 0 H LEU A 15 5.253 0.916 -11.189 1.00 0.00 H new ATOM 0 HA LEU A 15 6.638 -0.339 -8.980 1.00 0.00 H new ATOM 0 HB2 LEU A 15 4.333 -1.306 -10.708 1.00 0.00 H new ATOM 0 HB3 LEU A 15 4.820 -1.962 -9.158 1.00 0.00 H new ATOM 0 HG LEU A 15 3.753 0.842 -9.598 1.00 0.00 H new ATOM 0 HD11 LEU A 15 1.721 0.002 -8.478 1.00 0.00 H new ATOM 0 HD12 LEU A 15 2.041 -0.865 -9.999 1.00 0.00 H new ATOM 0 HD13 LEU A 15 2.424 -1.632 -8.440 1.00 0.00 H new ATOM 0 HD21 LEU A 15 3.577 0.900 -7.139 1.00 0.00 H new ATOM 0 HD22 LEU A 15 4.342 -0.705 -7.051 1.00 0.00 H new ATOM 0 HD23 LEU A 15 5.261 0.686 -7.675 1.00 0.00 H new ATOM 258 N PRO A 16 7.752 -2.375 -10.056 1.00 0.00 N ATOM 259 CA PRO A 16 8.622 -3.374 -10.705 1.00 0.00 C ATOM 260 C PRO A 16 7.837 -4.384 -11.543 1.00 0.00 C ATOM 261 O PRO A 16 8.413 -5.208 -12.253 1.00 0.00 O ATOM 262 CB PRO A 16 9.308 -4.078 -9.527 1.00 0.00 C ATOM 263 CG PRO A 16 8.427 -3.817 -8.354 1.00 0.00 C ATOM 264 CD PRO A 16 7.819 -2.464 -8.587 1.00 0.00 C ATOM 0 HA PRO A 16 9.316 -2.906 -11.403 1.00 0.00 H new ATOM 0 HB2 PRO A 16 9.411 -5.147 -9.712 1.00 0.00 H new ATOM 0 HB3 PRO A 16 10.311 -3.685 -9.362 1.00 0.00 H new ATOM 0 HG2 PRO A 16 7.655 -4.582 -8.268 1.00 0.00 H new ATOM 0 HG3 PRO A 16 8.998 -3.834 -7.426 1.00 0.00 H new ATOM 0 HD2 PRO A 16 6.831 -2.382 -8.133 1.00 0.00 H new ATOM 0 HD3 PRO A 16 8.432 -1.669 -8.163 1.00 0.00 H new ATOM 272 N ASP A 17 6.518 -4.309 -11.445 1.00 0.00 N ATOM 273 CA ASP A 17 5.628 -5.169 -12.214 1.00 0.00 C ATOM 274 C ASP A 17 5.506 -4.657 -13.643 1.00 0.00 C ATOM 275 O ASP A 17 5.138 -5.400 -14.554 1.00 0.00 O ATOM 276 CB ASP A 17 4.240 -5.204 -11.568 1.00 0.00 C ATOM 277 CG ASP A 17 4.279 -5.605 -10.108 1.00 0.00 C ATOM 278 OD1 ASP A 17 4.783 -4.812 -9.285 1.00 0.00 O ATOM 279 OD2 ASP A 17 3.800 -6.709 -9.772 1.00 0.00 O ATOM 0 H ASP A 17 6.035 -3.652 -10.832 1.00 0.00 H new ATOM 0 HA ASP A 17 6.046 -6.175 -12.227 1.00 0.00 H new ATOM 0 HB2 ASP A 17 3.778 -4.221 -11.657 1.00 0.00 H new ATOM 0 HB3 ASP A 17 3.608 -5.904 -12.115 1.00 0.00 H new ATOM 284 N GLY A 18 5.830 -3.387 -13.838 1.00 0.00 N ATOM 285 CA GLY A 18 5.666 -2.768 -15.139 1.00 0.00 C ATOM 286 C GLY A 18 4.374 -1.986 -15.226 1.00 0.00 C ATOM 287 O GLY A 18 3.560 -2.201 -16.124 1.00 0.00 O ATOM 0 H GLY A 18 6.205 -2.772 -13.116 1.00 0.00 H new ATOM 0 HA2 GLY A 18 6.508 -2.104 -15.335 1.00 0.00 H new ATOM 0 HA3 GLY A 18 5.680 -3.536 -15.912 1.00 0.00 H new ATOM 291 N SER A 19 4.185 -1.084 -14.277 1.00 0.00 N ATOM 292 CA SER A 19 2.981 -0.274 -14.215 1.00 0.00 C ATOM 293 C SER A 19 3.267 0.999 -13.428 1.00 0.00 C ATOM 294 O SER A 19 4.089 0.990 -12.509 1.00 0.00 O ATOM 295 CB SER A 19 1.853 -1.074 -13.551 1.00 0.00 C ATOM 296 OG SER A 19 0.589 -0.447 -13.713 1.00 0.00 O ATOM 0 H SER A 19 4.857 -0.894 -13.533 1.00 0.00 H new ATOM 0 HA SER A 19 2.668 -0.003 -15.223 1.00 0.00 H new ATOM 0 HB2 SER A 19 1.818 -2.076 -13.979 1.00 0.00 H new ATOM 0 HB3 SER A 19 2.067 -1.189 -12.488 1.00 0.00 H new ATOM 0 HG SER A 19 -0.103 -0.988 -13.278 1.00 0.00 H new ATOM 302 N ILE A 20 2.610 2.087 -13.795 1.00 0.00 N ATOM 303 CA ILE A 20 2.820 3.358 -13.122 1.00 0.00 C ATOM 304 C ILE A 20 1.585 3.769 -12.332 1.00 0.00 C ATOM 305 O ILE A 20 0.452 3.521 -12.753 1.00 0.00 O ATOM 306 CB ILE A 20 3.193 4.484 -14.113 1.00 0.00 C ATOM 307 CG1 ILE A 20 2.124 4.627 -15.200 1.00 0.00 C ATOM 308 CG2 ILE A 20 4.557 4.216 -14.731 1.00 0.00 C ATOM 309 CD1 ILE A 20 2.382 5.760 -16.173 1.00 0.00 C ATOM 0 H ILE A 20 1.928 2.116 -14.553 1.00 0.00 H new ATOM 0 HA ILE A 20 3.656 3.213 -12.437 1.00 0.00 H new ATOM 0 HB ILE A 20 3.243 5.424 -13.563 1.00 0.00 H new ATOM 0 HG12 ILE A 20 2.059 3.692 -15.756 1.00 0.00 H new ATOM 0 HG13 ILE A 20 1.156 4.783 -14.725 1.00 0.00 H new ATOM 0 HG21 ILE A 20 4.805 5.018 -15.426 1.00 0.00 H new ATOM 0 HG22 ILE A 20 5.310 4.172 -13.945 1.00 0.00 H new ATOM 0 HG23 ILE A 20 4.534 3.266 -15.265 1.00 0.00 H new ATOM 0 HD11 ILE A 20 1.581 5.795 -16.911 1.00 0.00 H new ATOM 0 HD12 ILE A 20 2.417 6.705 -15.630 1.00 0.00 H new ATOM 0 HD13 ILE A 20 3.334 5.596 -16.678 1.00 0.00 H new ATOM 321 N MET A 21 1.816 4.371 -11.178 1.00 0.00 N ATOM 322 CA MET A 21 0.742 4.872 -10.331 1.00 0.00 C ATOM 323 C MET A 21 1.086 6.263 -9.825 1.00 0.00 C ATOM 324 O MET A 21 2.247 6.565 -9.555 1.00 0.00 O ATOM 325 CB MET A 21 0.501 3.945 -9.134 1.00 0.00 C ATOM 326 CG MET A 21 -0.180 2.632 -9.482 1.00 0.00 C ATOM 327 SD MET A 21 -0.457 1.600 -8.030 1.00 0.00 S ATOM 328 CE MET A 21 -1.442 2.703 -7.019 1.00 0.00 C ATOM 0 H MET A 21 2.751 4.527 -10.800 1.00 0.00 H new ATOM 0 HA MET A 21 -0.167 4.909 -10.931 1.00 0.00 H new ATOM 0 HB2 MET A 21 1.458 3.729 -8.659 1.00 0.00 H new ATOM 0 HB3 MET A 21 -0.108 4.472 -8.399 1.00 0.00 H new ATOM 0 HG2 MET A 21 -1.135 2.837 -9.967 1.00 0.00 H new ATOM 0 HG3 MET A 21 0.432 2.087 -10.201 1.00 0.00 H new ATOM 0 HE1 MET A 21 -1.887 2.143 -6.197 1.00 0.00 H new ATOM 0 HE2 MET A 21 -0.807 3.493 -6.618 1.00 0.00 H new ATOM 0 HE3 MET A 21 -2.232 3.145 -7.626 1.00 0.00 H new ATOM 338 N THR A 22 0.085 7.112 -9.718 1.00 0.00 N ATOM 339 CA THR A 22 0.270 8.435 -9.165 1.00 0.00 C ATOM 340 C THR A 22 -0.948 8.826 -8.326 1.00 0.00 C ATOM 341 O THR A 22 -1.870 8.031 -8.149 1.00 0.00 O ATOM 342 CB THR A 22 0.538 9.479 -10.276 1.00 0.00 C ATOM 343 OG1 THR A 22 0.780 10.776 -9.710 1.00 0.00 O ATOM 344 CG2 THR A 22 -0.616 9.549 -11.262 1.00 0.00 C ATOM 0 H THR A 22 -0.871 6.906 -10.009 1.00 0.00 H new ATOM 0 HA THR A 22 1.148 8.417 -8.520 1.00 0.00 H new ATOM 0 HB THR A 22 1.429 9.158 -10.816 1.00 0.00 H new ATOM 0 HG1 THR A 22 1.728 11.004 -9.809 1.00 0.00 H new ATOM 0 HG21 THR A 22 -0.395 10.292 -12.029 1.00 0.00 H new ATOM 0 HG22 THR A 22 -0.754 8.574 -11.730 1.00 0.00 H new ATOM 0 HG23 THR A 22 -1.528 9.831 -10.736 1.00 0.00 H new ATOM 352 N ARG A 23 -0.932 10.046 -7.803 1.00 0.00 N ATOM 353 CA ARG A 23 -1.976 10.544 -6.906 1.00 0.00 C ATOM 354 C ARG A 23 -3.353 10.607 -7.578 1.00 0.00 C ATOM 355 O ARG A 23 -4.354 10.910 -6.931 1.00 0.00 O ATOM 356 CB ARG A 23 -1.580 11.927 -6.381 1.00 0.00 C ATOM 357 CG ARG A 23 -1.155 12.889 -7.479 1.00 0.00 C ATOM 358 CD ARG A 23 -0.601 14.182 -6.907 1.00 0.00 C ATOM 359 NE ARG A 23 -0.029 15.032 -7.952 1.00 0.00 N ATOM 360 CZ ARG A 23 0.731 16.099 -7.716 1.00 0.00 C ATOM 361 NH1 ARG A 23 0.980 16.480 -6.470 1.00 0.00 N ATOM 362 NH2 ARG A 23 1.224 16.797 -8.731 1.00 0.00 N ATOM 0 H ARG A 23 -0.192 10.724 -7.988 1.00 0.00 H new ATOM 0 HA ARG A 23 -2.062 9.839 -6.079 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -2.422 12.356 -5.838 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -0.763 11.817 -5.668 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -0.400 12.415 -8.106 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -2.009 13.110 -8.120 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -1.395 14.722 -6.392 1.00 0.00 H new ATOM 0 HD3 ARG A 23 0.163 13.954 -6.164 1.00 0.00 H new ATOM 0 HE ARG A 23 -0.225 14.791 -8.924 1.00 0.00 H new ATOM 0 HH11 ARG A 23 0.589 15.955 -5.688 1.00 0.00 H new ATOM 0 HH12 ARG A 23 1.563 17.298 -6.294 1.00 0.00 H new ATOM 0 HH21 ARG A 23 1.020 16.516 -9.690 1.00 0.00 H new ATOM 0 HH22 ARG A 23 1.807 17.615 -8.552 1.00 0.00 H new ATOM 376 N ALA A 24 -3.400 10.323 -8.871 1.00 0.00 N ATOM 377 CA ALA A 24 -4.659 10.297 -9.607 1.00 0.00 C ATOM 378 C ALA A 24 -5.229 8.882 -9.661 1.00 0.00 C ATOM 379 O ALA A 24 -6.391 8.680 -10.012 1.00 0.00 O ATOM 380 CB ALA A 24 -4.455 10.841 -11.014 1.00 0.00 C ATOM 0 H ALA A 24 -2.579 10.106 -9.436 1.00 0.00 H new ATOM 0 HA ALA A 24 -5.375 10.931 -9.084 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -5.401 10.817 -11.554 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -4.095 11.868 -10.958 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -3.722 10.228 -11.538 1.00 0.00 H new ATOM 386 N ASP A 25 -4.404 7.905 -9.302 1.00 0.00 N ATOM 387 CA ASP A 25 -4.802 6.500 -9.363 1.00 0.00 C ATOM 388 C ASP A 25 -5.224 5.998 -7.995 1.00 0.00 C ATOM 389 O ASP A 25 -5.596 4.835 -7.833 1.00 0.00 O ATOM 390 CB ASP A 25 -3.652 5.635 -9.875 1.00 0.00 C ATOM 391 CG ASP A 25 -3.154 6.073 -11.231 1.00 0.00 C ATOM 392 OD1 ASP A 25 -3.765 5.683 -12.249 1.00 0.00 O ATOM 393 OD2 ASP A 25 -2.154 6.810 -11.284 1.00 0.00 O ATOM 0 H ASP A 25 -3.454 8.059 -8.965 1.00 0.00 H new ATOM 0 HA ASP A 25 -5.645 6.428 -10.050 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -2.829 5.671 -9.161 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -3.980 4.597 -9.931 1.00 0.00 H new ATOM 398 N LEU A 26 -5.162 6.884 -7.015 1.00 0.00 N ATOM 399 CA LEU A 26 -5.458 6.523 -5.639 1.00 0.00 C ATOM 400 C LEU A 26 -6.957 6.546 -5.374 1.00 0.00 C ATOM 401 O LEU A 26 -7.667 7.421 -5.869 1.00 0.00 O ATOM 402 CB LEU A 26 -4.748 7.478 -4.675 1.00 0.00 C ATOM 403 CG LEU A 26 -3.226 7.527 -4.804 1.00 0.00 C ATOM 404 CD1 LEU A 26 -2.645 8.556 -3.849 1.00 0.00 C ATOM 405 CD2 LEU A 26 -2.619 6.158 -4.540 1.00 0.00 C ATOM 0 H LEU A 26 -4.908 7.863 -7.148 1.00 0.00 H new ATOM 0 HA LEU A 26 -5.095 5.508 -5.475 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -5.141 8.483 -4.830 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -5.000 7.191 -3.654 1.00 0.00 H new ATOM 0 HG LEU A 26 -2.979 7.821 -5.824 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -1.560 8.578 -3.954 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -3.052 9.540 -4.082 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -2.905 8.289 -2.825 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -1.535 6.216 -4.637 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -2.876 5.834 -3.531 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -3.010 5.441 -5.262 1.00 0.00 H new ATOM 417 N PRO A 27 -7.456 5.558 -4.612 1.00 0.00 N ATOM 418 CA PRO A 27 -8.844 5.539 -4.133 1.00 0.00 C ATOM 419 C PRO A 27 -9.226 6.849 -3.449 1.00 0.00 C ATOM 420 O PRO A 27 -8.640 7.218 -2.428 1.00 0.00 O ATOM 421 CB PRO A 27 -8.841 4.385 -3.131 1.00 0.00 C ATOM 422 CG PRO A 27 -7.788 3.468 -3.635 1.00 0.00 C ATOM 423 CD PRO A 27 -6.707 4.361 -4.176 1.00 0.00 C ATOM 0 HA PRO A 27 -9.567 5.419 -4.940 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -8.616 4.733 -2.123 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -9.812 3.892 -3.089 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -7.408 2.830 -2.837 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -8.179 2.810 -4.411 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -5.965 4.604 -3.415 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -6.174 3.894 -5.004 1.00 0.00 H new ATOM 431 N PRO A 28 -10.197 7.579 -4.029 1.00 0.00 N ATOM 432 CA PRO A 28 -10.647 8.881 -3.516 1.00 0.00 C ATOM 433 C PRO A 28 -11.327 8.787 -2.155 1.00 0.00 C ATOM 434 O PRO A 28 -12.555 8.900 -2.062 1.00 0.00 O ATOM 435 CB PRO A 28 -11.653 9.363 -4.568 1.00 0.00 C ATOM 436 CG PRO A 28 -11.379 8.535 -5.776 1.00 0.00 C ATOM 437 CD PRO A 28 -10.912 7.208 -5.257 1.00 0.00 C ATOM 0 HA PRO A 28 -9.802 9.553 -3.365 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -12.678 9.230 -4.223 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -11.524 10.424 -4.780 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -12.275 8.424 -6.387 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -10.620 8.999 -6.406 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -11.746 6.536 -5.054 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -10.260 6.701 -5.968 1.00 0.00 H new ATOM 445 N ALA A 29 -10.521 8.561 -1.118 1.00 0.00 N ATOM 446 CA ALA A 29 -10.987 8.504 0.269 1.00 0.00 C ATOM 447 C ALA A 29 -11.934 7.326 0.503 1.00 0.00 C ATOM 448 O ALA A 29 -11.563 6.335 1.133 1.00 0.00 O ATOM 449 CB ALA A 29 -11.648 9.816 0.669 1.00 0.00 C ATOM 0 H ALA A 29 -9.517 8.411 -1.217 1.00 0.00 H new ATOM 0 HA ALA A 29 -10.113 8.349 0.901 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -11.987 9.752 1.703 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -10.929 10.630 0.572 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -12.502 10.007 0.018 1.00 0.00 H new ATOM 455 N ASN A 30 -13.147 7.434 -0.023 1.00 0.00 N ATOM 456 CA ASN A 30 -14.160 6.403 0.158 1.00 0.00 C ATOM 457 C ASN A 30 -14.208 5.481 -1.047 1.00 0.00 C ATOM 458 O ASN A 30 -14.552 4.305 -0.919 1.00 0.00 O ATOM 459 CB ASN A 30 -15.541 7.030 0.385 1.00 0.00 C ATOM 460 CG ASN A 30 -15.666 7.701 1.740 1.00 0.00 C ATOM 461 OD1 ASN A 30 -15.051 7.274 2.717 1.00 0.00 O ATOM 462 ND2 ASN A 30 -16.463 8.755 1.812 1.00 0.00 N ATOM 0 H ASN A 30 -13.454 8.230 -0.582 1.00 0.00 H new ATOM 0 HA ASN A 30 -13.889 5.821 1.039 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -15.735 7.763 -0.398 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -16.305 6.258 0.295 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -16.584 9.243 2.699 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -16.956 9.079 0.980 1.00 0.00 H new ATOM 469 N THR A 31 -13.845 6.016 -2.216 1.00 0.00 N ATOM 470 CA THR A 31 -13.899 5.261 -3.464 1.00 0.00 C ATOM 471 C THR A 31 -15.355 4.859 -3.770 1.00 0.00 C ATOM 472 O THR A 31 -16.288 5.401 -3.175 1.00 0.00 O ATOM 473 CB THR A 31 -12.997 4.010 -3.375 1.00 0.00 C ATOM 474 OG1 THR A 31 -11.801 4.343 -2.669 1.00 0.00 O ATOM 475 CG2 THR A 31 -12.618 3.496 -4.757 1.00 0.00 C ATOM 0 H THR A 31 -13.510 6.974 -2.321 1.00 0.00 H new ATOM 0 HA THR A 31 -13.531 5.890 -4.275 1.00 0.00 H new ATOM 0 HB THR A 31 -13.553 3.230 -2.854 1.00 0.00 H new ATOM 0 HG1 THR A 31 -11.704 3.753 -1.893 1.00 0.00 H new ATOM 0 HG21 THR A 31 -11.983 2.616 -4.656 1.00 0.00 H new ATOM 0 HG22 THR A 31 -13.521 3.231 -5.307 1.00 0.00 H new ATOM 0 HG23 THR A 31 -12.078 4.273 -5.299 1.00 0.00 H new ATOM 483 N ARG A 32 -15.551 3.949 -4.711 1.00 0.00 N ATOM 484 CA ARG A 32 -16.877 3.414 -4.992 1.00 0.00 C ATOM 485 C ARG A 32 -16.879 1.914 -4.745 1.00 0.00 C ATOM 486 O ARG A 32 -17.588 1.415 -3.873 1.00 0.00 O ATOM 487 CB ARG A 32 -17.302 3.720 -6.431 1.00 0.00 C ATOM 488 CG ARG A 32 -17.458 5.204 -6.715 1.00 0.00 C ATOM 489 CD ARG A 32 -18.427 5.857 -5.741 1.00 0.00 C ATOM 490 NE ARG A 32 -18.512 7.300 -5.942 1.00 0.00 N ATOM 491 CZ ARG A 32 -18.001 8.202 -5.104 1.00 0.00 C ATOM 492 NH1 ARG A 32 -17.351 7.813 -4.012 1.00 0.00 N ATOM 493 NH2 ARG A 32 -18.142 9.495 -5.367 1.00 0.00 N ATOM 0 H ARG A 32 -14.808 3.564 -5.295 1.00 0.00 H new ATOM 0 HA ARG A 32 -17.596 3.892 -4.326 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -16.564 3.303 -7.116 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -18.247 3.218 -6.637 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -16.486 5.693 -6.647 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -17.815 5.345 -7.735 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -19.416 5.415 -5.862 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -18.108 5.651 -4.719 1.00 0.00 H new ATOM 0 HE ARG A 32 -18.992 7.639 -6.775 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -17.241 6.819 -3.811 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -16.962 8.508 -3.375 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -18.639 9.794 -6.206 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -17.753 10.190 -4.730 1.00 0.00 H new ATOM 507 N ARG A 33 -16.061 1.206 -5.508 1.00 0.00 N ATOM 508 CA ARG A 33 -15.883 -0.222 -5.317 1.00 0.00 C ATOM 509 C ARG A 33 -14.413 -0.535 -5.089 1.00 0.00 C ATOM 510 O ARG A 33 -13.544 -0.072 -5.833 1.00 0.00 O ATOM 511 CB ARG A 33 -16.413 -0.999 -6.525 1.00 0.00 C ATOM 512 CG ARG A 33 -17.929 -1.039 -6.595 1.00 0.00 C ATOM 513 CD ARG A 33 -18.413 -1.704 -7.871 1.00 0.00 C ATOM 514 NE ARG A 33 -19.836 -2.026 -7.804 1.00 0.00 N ATOM 515 CZ ARG A 33 -20.747 -1.577 -8.662 1.00 0.00 C ATOM 516 NH1 ARG A 33 -20.393 -0.768 -9.653 1.00 0.00 N ATOM 517 NH2 ARG A 33 -22.016 -1.937 -8.525 1.00 0.00 N ATOM 0 H ARG A 33 -15.508 1.601 -6.269 1.00 0.00 H new ATOM 0 HA ARG A 33 -16.451 -0.530 -4.439 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -16.026 -0.546 -7.438 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -16.031 -2.019 -6.488 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -18.319 -1.579 -5.732 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -18.323 -0.024 -6.541 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -18.228 -1.044 -8.718 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -17.841 -2.615 -8.046 1.00 0.00 H new ATOM 0 HE ARG A 33 -20.152 -2.635 -7.049 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -19.418 -0.488 -9.759 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -21.096 -0.427 -10.308 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -22.291 -2.557 -7.763 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -22.717 -1.594 -9.182 1.00 0.00 H new ATOM 531 N TRP A 34 -14.144 -1.305 -4.051 1.00 0.00 N ATOM 532 CA TRP A 34 -12.787 -1.683 -3.703 1.00 0.00 C ATOM 533 C TRP A 34 -12.428 -3.004 -4.364 1.00 0.00 C ATOM 534 O TRP A 34 -12.571 -4.070 -3.766 1.00 0.00 O ATOM 535 CB TRP A 34 -12.633 -1.804 -2.188 1.00 0.00 C ATOM 536 CG TRP A 34 -12.710 -0.492 -1.469 1.00 0.00 C ATOM 537 CD1 TRP A 34 -13.821 0.091 -0.928 1.00 0.00 C ATOM 538 CD2 TRP A 34 -11.623 0.395 -1.207 1.00 0.00 C ATOM 539 NE1 TRP A 34 -13.485 1.289 -0.342 1.00 0.00 N ATOM 540 CE2 TRP A 34 -12.142 1.497 -0.501 1.00 0.00 C ATOM 541 CE3 TRP A 34 -10.259 0.362 -1.499 1.00 0.00 C ATOM 542 CZ2 TRP A 34 -11.339 2.557 -0.086 1.00 0.00 C ATOM 543 CZ3 TRP A 34 -9.468 1.414 -1.089 1.00 0.00 C ATOM 544 CH2 TRP A 34 -10.007 2.497 -0.386 1.00 0.00 C ATOM 0 H TRP A 34 -14.857 -1.685 -3.428 1.00 0.00 H new ATOM 0 HA TRP A 34 -12.111 -0.906 -4.061 1.00 0.00 H new ATOM 0 HB2 TRP A 34 -13.410 -2.465 -1.804 1.00 0.00 H new ATOM 0 HB3 TRP A 34 -11.675 -2.275 -1.965 1.00 0.00 H new ATOM 0 HD1 TRP A 34 -14.816 -0.327 -0.956 1.00 0.00 H new ATOM 0 HE1 TRP A 34 -14.131 1.919 0.133 1.00 0.00 H new ATOM 0 HE3 TRP A 34 -9.831 -0.472 -2.036 1.00 0.00 H new ATOM 0 HZ2 TRP A 34 -11.754 3.396 0.453 1.00 0.00 H new ATOM 0 HZ3 TRP A 34 -8.412 1.402 -1.315 1.00 0.00 H new ATOM 0 HH2 TRP A 34 -9.358 3.302 -0.074 1.00 0.00 H new ATOM 555 N VAL A 35 -12.007 -2.931 -5.617 1.00 0.00 N ATOM 556 CA VAL A 35 -11.562 -4.117 -6.334 1.00 0.00 C ATOM 557 C VAL A 35 -10.204 -4.561 -5.805 1.00 0.00 C ATOM 558 O VAL A 35 -9.467 -3.752 -5.234 1.00 0.00 O ATOM 559 CB VAL A 35 -11.485 -3.877 -7.860 1.00 0.00 C ATOM 560 CG1 VAL A 35 -12.867 -3.597 -8.430 1.00 0.00 C ATOM 561 CG2 VAL A 35 -10.532 -2.739 -8.191 1.00 0.00 C ATOM 0 H VAL A 35 -11.964 -2.067 -6.157 1.00 0.00 H new ATOM 0 HA VAL A 35 -12.298 -4.903 -6.164 1.00 0.00 H new ATOM 0 HB VAL A 35 -11.097 -4.785 -8.321 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -12.791 -3.431 -9.505 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -13.519 -4.450 -8.240 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -13.284 -2.709 -7.954 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -10.499 -2.594 -9.271 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -10.879 -1.823 -7.713 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -9.534 -2.983 -7.827 1.00 0.00 H new ATOM 571 N ALA A 36 -9.878 -5.836 -5.998 1.00 0.00 N ATOM 572 CA ALA A 36 -8.652 -6.418 -5.453 1.00 0.00 C ATOM 573 C ALA A 36 -7.426 -5.604 -5.847 1.00 0.00 C ATOM 574 O ALA A 36 -6.587 -5.286 -5.004 1.00 0.00 O ATOM 575 CB ALA A 36 -8.501 -7.862 -5.911 1.00 0.00 C ATOM 0 H ALA A 36 -10.449 -6.491 -6.531 1.00 0.00 H new ATOM 0 HA ALA A 36 -8.729 -6.399 -4.366 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -7.584 -8.281 -5.497 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -9.355 -8.445 -5.565 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -8.456 -7.896 -7.000 1.00 0.00 H new ATOM 581 N SER A 37 -7.352 -5.241 -7.121 1.00 0.00 N ATOM 582 CA SER A 37 -6.230 -4.476 -7.643 1.00 0.00 C ATOM 583 C SER A 37 -6.127 -3.112 -6.956 1.00 0.00 C ATOM 584 O SER A 37 -5.029 -2.609 -6.727 1.00 0.00 O ATOM 585 CB SER A 37 -6.376 -4.300 -9.159 1.00 0.00 C ATOM 586 OG SER A 37 -5.245 -3.657 -9.719 1.00 0.00 O ATOM 0 H SER A 37 -8.063 -5.467 -7.816 1.00 0.00 H new ATOM 0 HA SER A 37 -5.313 -5.027 -7.435 1.00 0.00 H new ATOM 0 HB2 SER A 37 -6.511 -5.275 -9.628 1.00 0.00 H new ATOM 0 HB3 SER A 37 -7.271 -3.716 -9.374 1.00 0.00 H new ATOM 0 HG SER A 37 -5.369 -3.561 -10.686 1.00 0.00 H new ATOM 592 N ARG A 38 -7.270 -2.535 -6.597 1.00 0.00 N ATOM 593 CA ARG A 38 -7.296 -1.212 -5.973 1.00 0.00 C ATOM 594 C ARG A 38 -6.939 -1.301 -4.492 1.00 0.00 C ATOM 595 O ARG A 38 -6.329 -0.389 -3.945 1.00 0.00 O ATOM 596 CB ARG A 38 -8.661 -0.542 -6.180 1.00 0.00 C ATOM 597 CG ARG A 38 -8.794 0.805 -5.489 1.00 0.00 C ATOM 598 CD ARG A 38 -9.764 1.721 -6.220 1.00 0.00 C ATOM 599 NE ARG A 38 -9.171 2.300 -7.429 1.00 0.00 N ATOM 600 CZ ARG A 38 -9.676 3.351 -8.079 1.00 0.00 C ATOM 601 NH1 ARG A 38 -10.803 3.917 -7.664 1.00 0.00 N ATOM 602 NH2 ARG A 38 -9.049 3.836 -9.145 1.00 0.00 N ATOM 0 H ARG A 38 -8.189 -2.959 -6.726 1.00 0.00 H new ATOM 0 HA ARG A 38 -6.542 -0.590 -6.456 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -8.832 -0.410 -7.248 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -9.442 -1.208 -5.812 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -9.136 0.656 -4.465 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -7.816 1.283 -5.432 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -10.659 1.160 -6.489 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -10.079 2.522 -5.552 1.00 0.00 H new ATOM 0 HE ARG A 38 -8.320 1.874 -7.796 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -11.287 3.549 -6.845 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -11.185 4.720 -8.164 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -8.182 3.405 -9.467 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -9.435 4.639 -9.642 1.00 0.00 H new ATOM 616 N LYS A 39 -7.298 -2.409 -3.857 1.00 0.00 N ATOM 617 CA LYS A 39 -6.898 -2.668 -2.473 1.00 0.00 C ATOM 618 C LYS A 39 -5.375 -2.779 -2.408 1.00 0.00 C ATOM 619 O LYS A 39 -4.709 -2.113 -1.603 1.00 0.00 O ATOM 620 CB LYS A 39 -7.545 -3.966 -1.976 1.00 0.00 C ATOM 621 CG LYS A 39 -9.062 -3.980 -2.100 1.00 0.00 C ATOM 622 CD LYS A 39 -9.617 -5.399 -2.018 1.00 0.00 C ATOM 623 CE LYS A 39 -9.582 -5.949 -0.601 1.00 0.00 C ATOM 624 NZ LYS A 39 -10.716 -5.449 0.220 1.00 0.00 N ATOM 0 H LYS A 39 -7.866 -3.146 -4.276 1.00 0.00 H new ATOM 0 HA LYS A 39 -7.230 -1.849 -1.835 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -7.136 -4.805 -2.539 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -7.273 -4.120 -0.932 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -9.498 -3.371 -1.308 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -9.355 -3.528 -3.048 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -10.644 -5.407 -2.384 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -9.040 -6.051 -2.673 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -9.611 -7.038 -0.634 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -8.641 -5.670 -0.127 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -10.374 -5.204 1.171 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -11.124 -4.605 -0.230 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -11.444 -6.188 0.294 1.00 0.00 H new ATOM 638 N ILE A 40 -4.834 -3.607 -3.294 1.00 0.00 N ATOM 639 CA ILE A 40 -3.395 -3.766 -3.428 1.00 0.00 C ATOM 640 C ILE A 40 -2.751 -2.440 -3.832 1.00 0.00 C ATOM 641 O ILE A 40 -1.632 -2.130 -3.429 1.00 0.00 O ATOM 642 CB ILE A 40 -3.054 -4.853 -4.474 1.00 0.00 C ATOM 643 CG1 ILE A 40 -3.710 -6.182 -4.087 1.00 0.00 C ATOM 644 CG2 ILE A 40 -1.547 -5.025 -4.601 1.00 0.00 C ATOM 645 CD1 ILE A 40 -3.563 -7.265 -5.138 1.00 0.00 C ATOM 0 H ILE A 40 -5.379 -4.183 -3.935 1.00 0.00 H new ATOM 0 HA ILE A 40 -2.999 -4.078 -2.462 1.00 0.00 H new ATOM 0 HB ILE A 40 -3.444 -4.535 -5.441 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -3.273 -6.534 -3.152 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -4.770 -6.012 -3.899 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -1.330 -5.794 -5.342 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -1.098 -4.082 -4.914 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -1.132 -5.322 -3.638 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -4.052 -8.176 -4.793 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -4.026 -6.935 -6.068 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -2.505 -7.464 -5.310 1.00 0.00 H new ATOM 657 N ALA A 41 -3.479 -1.654 -4.613 1.00 0.00 N ATOM 658 CA ALA A 41 -2.999 -0.355 -5.056 1.00 0.00 C ATOM 659 C ALA A 41 -2.819 0.594 -3.878 1.00 0.00 C ATOM 660 O ALA A 41 -1.963 1.473 -3.917 1.00 0.00 O ATOM 661 CB ALA A 41 -3.948 0.251 -6.079 1.00 0.00 C ATOM 0 H ALA A 41 -4.409 -1.896 -4.954 1.00 0.00 H new ATOM 0 HA ALA A 41 -2.027 -0.504 -5.527 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -3.569 1.222 -6.396 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -4.022 -0.410 -6.943 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -4.934 0.375 -5.632 1.00 0.00 H new ATOM 667 N VAL A 42 -3.621 0.420 -2.832 1.00 0.00 N ATOM 668 CA VAL A 42 -3.483 1.250 -1.646 1.00 0.00 C ATOM 669 C VAL A 42 -2.187 0.908 -0.930 1.00 0.00 C ATOM 670 O VAL A 42 -1.381 1.792 -0.647 1.00 0.00 O ATOM 671 CB VAL A 42 -4.661 1.104 -0.659 1.00 0.00 C ATOM 672 CG1 VAL A 42 -4.595 2.190 0.404 1.00 0.00 C ATOM 673 CG2 VAL A 42 -5.993 1.164 -1.380 1.00 0.00 C ATOM 0 H VAL A 42 -4.363 -0.279 -2.783 1.00 0.00 H new ATOM 0 HA VAL A 42 -3.477 2.285 -1.989 1.00 0.00 H new ATOM 0 HB VAL A 42 -4.578 0.128 -0.180 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -5.431 2.076 1.094 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -3.657 2.105 0.953 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -4.649 3.169 -0.072 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -6.803 1.058 -0.658 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -6.087 2.121 -1.892 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -6.049 0.355 -2.109 1.00 0.00 H new ATOM 683 N VAL A 43 -1.965 -0.381 -0.666 1.00 0.00 N ATOM 684 CA VAL A 43 -0.727 -0.807 -0.007 1.00 0.00 C ATOM 685 C VAL A 43 0.499 -0.507 -0.872 1.00 0.00 C ATOM 686 O VAL A 43 1.549 -0.129 -0.354 1.00 0.00 O ATOM 687 CB VAL A 43 -0.725 -2.302 0.396 1.00 0.00 C ATOM 688 CG1 VAL A 43 -1.160 -2.461 1.839 1.00 0.00 C ATOM 689 CG2 VAL A 43 -1.626 -3.133 -0.504 1.00 0.00 C ATOM 0 H VAL A 43 -2.612 -1.136 -0.893 1.00 0.00 H new ATOM 0 HA VAL A 43 -0.676 -0.224 0.912 1.00 0.00 H new ATOM 0 HB VAL A 43 0.296 -2.666 0.280 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -1.153 -3.518 2.107 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -0.473 -1.918 2.488 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -2.167 -2.062 1.962 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -1.596 -4.175 -0.187 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -2.649 -2.763 -0.436 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -1.280 -3.057 -1.535 1.00 0.00 H new ATOM 699 N ARG A 44 0.364 -0.660 -2.185 1.00 0.00 N ATOM 700 CA ARG A 44 1.444 -0.312 -3.105 1.00 0.00 C ATOM 701 C ARG A 44 1.697 1.195 -3.092 1.00 0.00 C ATOM 702 O ARG A 44 2.840 1.643 -2.977 1.00 0.00 O ATOM 703 CB ARG A 44 1.114 -0.755 -4.538 1.00 0.00 C ATOM 704 CG ARG A 44 1.163 -2.258 -4.765 1.00 0.00 C ATOM 705 CD ARG A 44 0.906 -2.590 -6.230 1.00 0.00 C ATOM 706 NE ARG A 44 1.032 -4.019 -6.523 1.00 0.00 N ATOM 707 CZ ARG A 44 2.030 -4.543 -7.235 1.00 0.00 C ATOM 708 NH1 ARG A 44 3.037 -3.773 -7.631 1.00 0.00 N ATOM 709 NH2 ARG A 44 2.031 -5.838 -7.537 1.00 0.00 N ATOM 0 H ARG A 44 -0.477 -1.021 -2.635 1.00 0.00 H new ATOM 0 HA ARG A 44 2.340 -0.834 -2.770 1.00 0.00 H new ATOM 0 HB2 ARG A 44 0.118 -0.395 -4.795 1.00 0.00 H new ATOM 0 HB3 ARG A 44 1.813 -0.275 -5.223 1.00 0.00 H new ATOM 0 HG2 ARG A 44 2.137 -2.645 -4.465 1.00 0.00 H new ATOM 0 HG3 ARG A 44 0.418 -2.750 -4.139 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -0.095 -2.256 -6.502 1.00 0.00 H new ATOM 0 HD3 ARG A 44 1.608 -2.034 -6.851 1.00 0.00 H new ATOM 0 HE ARG A 44 0.316 -4.649 -6.162 1.00 0.00 H new ATOM 0 HH11 ARG A 44 3.046 -2.782 -7.390 1.00 0.00 H new ATOM 0 HH12 ARG A 44 3.801 -4.173 -8.176 1.00 0.00 H new ATOM 0 HH21 ARG A 44 1.266 -6.435 -7.224 1.00 0.00 H new ATOM 0 HH22 ARG A 44 2.797 -6.234 -8.082 1.00 0.00 H new ATOM 723 N GLY A 45 0.615 1.960 -3.190 1.00 0.00 N ATOM 724 CA GLY A 45 0.711 3.406 -3.306 1.00 0.00 C ATOM 725 C GLY A 45 1.309 4.075 -2.085 1.00 0.00 C ATOM 726 O GLY A 45 2.051 5.046 -2.211 1.00 0.00 O ATOM 0 H GLY A 45 -0.339 1.600 -3.191 1.00 0.00 H new ATOM 0 HA2 GLY A 45 1.317 3.653 -4.178 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -0.284 3.815 -3.483 1.00 0.00 H new ATOM 730 N VAL A 46 0.994 3.574 -0.900 1.00 0.00 N ATOM 731 CA VAL A 46 1.520 4.173 0.319 1.00 0.00 C ATOM 732 C VAL A 46 2.947 3.697 0.596 1.00 0.00 C ATOM 733 O VAL A 46 3.880 4.501 0.575 1.00 0.00 O ATOM 734 CB VAL A 46 0.604 3.926 1.551 1.00 0.00 C ATOM 735 CG1 VAL A 46 -0.718 4.653 1.379 1.00 0.00 C ATOM 736 CG2 VAL A 46 0.354 2.444 1.797 1.00 0.00 C ATOM 0 H VAL A 46 0.387 2.767 -0.756 1.00 0.00 H new ATOM 0 HA VAL A 46 1.541 5.250 0.152 1.00 0.00 H new ATOM 0 HB VAL A 46 1.126 4.319 2.423 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -1.349 4.471 2.249 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -0.535 5.723 1.281 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -1.220 4.287 0.483 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -0.291 2.323 2.668 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -0.130 2.007 0.924 1.00 0.00 H new ATOM 0 HG23 VAL A 46 1.304 1.940 1.976 1.00 0.00 H new ATOM 746 N ILE A 47 3.114 2.390 0.786 1.00 0.00 N ATOM 747 CA ILE A 47 4.380 1.809 1.228 1.00 0.00 C ATOM 748 C ILE A 47 5.517 2.081 0.245 1.00 0.00 C ATOM 749 O ILE A 47 6.582 2.566 0.630 1.00 0.00 O ATOM 750 CB ILE A 47 4.232 0.283 1.431 1.00 0.00 C ATOM 751 CG1 ILE A 47 3.212 -0.008 2.538 1.00 0.00 C ATOM 752 CG2 ILE A 47 5.571 -0.366 1.753 1.00 0.00 C ATOM 753 CD1 ILE A 47 2.949 -1.483 2.755 1.00 0.00 C ATOM 0 H ILE A 47 2.375 1.703 0.638 1.00 0.00 H new ATOM 0 HA ILE A 47 4.633 2.287 2.175 1.00 0.00 H new ATOM 0 HB ILE A 47 3.871 -0.148 0.497 1.00 0.00 H new ATOM 0 HG12 ILE A 47 3.568 0.429 3.471 1.00 0.00 H new ATOM 0 HG13 ILE A 47 2.272 0.487 2.292 1.00 0.00 H new ATOM 0 HG21 ILE A 47 5.432 -1.438 1.890 1.00 0.00 H new ATOM 0 HG22 ILE A 47 6.266 -0.192 0.932 1.00 0.00 H new ATOM 0 HG23 ILE A 47 5.975 0.067 2.668 1.00 0.00 H new ATOM 0 HD11 ILE A 47 2.217 -1.609 3.553 1.00 0.00 H new ATOM 0 HD12 ILE A 47 2.562 -1.923 1.836 1.00 0.00 H new ATOM 0 HD13 ILE A 47 3.878 -1.981 3.033 1.00 0.00 H new ATOM 765 N TYR A 48 5.288 1.775 -1.020 1.00 0.00 N ATOM 766 CA TYR A 48 6.323 1.905 -2.032 1.00 0.00 C ATOM 767 C TYR A 48 6.289 3.295 -2.653 1.00 0.00 C ATOM 768 O TYR A 48 7.275 3.756 -3.229 1.00 0.00 O ATOM 769 CB TYR A 48 6.121 0.836 -3.111 1.00 0.00 C ATOM 770 CG TYR A 48 7.201 0.797 -4.169 1.00 0.00 C ATOM 771 CD1 TYR A 48 8.477 0.336 -3.872 1.00 0.00 C ATOM 772 CD2 TYR A 48 6.936 1.207 -5.469 1.00 0.00 C ATOM 773 CE1 TYR A 48 9.460 0.288 -4.843 1.00 0.00 C ATOM 774 CE2 TYR A 48 7.914 1.165 -6.443 1.00 0.00 C ATOM 775 CZ TYR A 48 9.174 0.705 -6.126 1.00 0.00 C ATOM 776 OH TYR A 48 10.147 0.655 -7.096 1.00 0.00 O ATOM 0 H TYR A 48 4.393 1.434 -1.372 1.00 0.00 H new ATOM 0 HA TYR A 48 7.297 1.764 -1.564 1.00 0.00 H new ATOM 0 HB2 TYR A 48 6.066 -0.141 -2.630 1.00 0.00 H new ATOM 0 HB3 TYR A 48 5.160 1.006 -3.597 1.00 0.00 H new ATOM 0 HD1 TYR A 48 8.705 0.010 -2.868 1.00 0.00 H new ATOM 0 HD2 TYR A 48 5.949 1.565 -5.722 1.00 0.00 H new ATOM 0 HE1 TYR A 48 10.447 -0.074 -4.598 1.00 0.00 H new ATOM 0 HE2 TYR A 48 7.693 1.491 -7.449 1.00 0.00 H new ATOM 0 HH TYR A 48 9.781 0.984 -7.944 1.00 0.00 H new ATOM 786 N GLY A 49 5.156 3.966 -2.518 1.00 0.00 N ATOM 787 CA GLY A 49 4.963 5.222 -3.201 1.00 0.00 C ATOM 788 C GLY A 49 5.160 6.446 -2.325 1.00 0.00 C ATOM 789 O GLY A 49 6.184 7.129 -2.422 1.00 0.00 O ATOM 0 H GLY A 49 4.368 3.661 -1.947 1.00 0.00 H new ATOM 0 HA2 GLY A 49 5.656 5.276 -4.041 1.00 0.00 H new ATOM 0 HA3 GLY A 49 3.956 5.245 -3.616 1.00 0.00 H new ATOM 793 N LEU A 50 4.199 6.721 -1.454 1.00 0.00 N ATOM 794 CA LEU A 50 4.116 8.031 -0.824 1.00 0.00 C ATOM 795 C LEU A 50 4.568 8.036 0.635 1.00 0.00 C ATOM 796 O LEU A 50 5.677 8.477 0.944 1.00 0.00 O ATOM 797 CB LEU A 50 2.686 8.565 -0.926 1.00 0.00 C ATOM 798 CG LEU A 50 2.144 8.723 -2.351 1.00 0.00 C ATOM 799 CD1 LEU A 50 0.703 9.210 -2.317 1.00 0.00 C ATOM 800 CD2 LEU A 50 3.017 9.679 -3.151 1.00 0.00 C ATOM 0 H LEU A 50 3.473 6.063 -1.170 1.00 0.00 H new ATOM 0 HA LEU A 50 4.805 8.680 -1.364 1.00 0.00 H new ATOM 0 HB2 LEU A 50 2.026 7.894 -0.376 1.00 0.00 H new ATOM 0 HB3 LEU A 50 2.642 9.534 -0.429 1.00 0.00 H new ATOM 0 HG LEU A 50 2.167 7.750 -2.842 1.00 0.00 H new ATOM 0 HD11 LEU A 50 0.331 9.318 -3.336 1.00 0.00 H new ATOM 0 HD12 LEU A 50 0.087 8.488 -1.781 1.00 0.00 H new ATOM 0 HD13 LEU A 50 0.657 10.174 -1.810 1.00 0.00 H new ATOM 0 HD21 LEU A 50 2.617 9.779 -4.160 1.00 0.00 H new ATOM 0 HD22 LEU A 50 3.027 10.655 -2.666 1.00 0.00 H new ATOM 0 HD23 LEU A 50 4.033 9.288 -3.201 1.00 0.00 H new ATOM 812 N ILE A 51 3.723 7.537 1.530 1.00 0.00 N ATOM 813 CA ILE A 51 3.928 7.750 2.959 1.00 0.00 C ATOM 814 C ILE A 51 3.856 6.451 3.749 1.00 0.00 C ATOM 815 O ILE A 51 3.527 5.396 3.212 1.00 0.00 O ATOM 816 CB ILE A 51 2.902 8.751 3.556 1.00 0.00 C ATOM 817 CG1 ILE A 51 1.497 8.129 3.689 1.00 0.00 C ATOM 818 CG2 ILE A 51 2.848 10.022 2.719 1.00 0.00 C ATOM 819 CD1 ILE A 51 0.811 7.802 2.378 1.00 0.00 C ATOM 0 H ILE A 51 2.897 6.987 1.295 1.00 0.00 H new ATOM 0 HA ILE A 51 4.930 8.169 3.048 1.00 0.00 H new ATOM 0 HB ILE A 51 3.241 9.004 4.561 1.00 0.00 H new ATOM 0 HG12 ILE A 51 1.576 7.215 4.278 1.00 0.00 H new ATOM 0 HG13 ILE A 51 0.864 8.816 4.251 1.00 0.00 H new ATOM 0 HG21 ILE A 51 2.124 10.712 3.152 1.00 0.00 H new ATOM 0 HG22 ILE A 51 3.832 10.490 2.705 1.00 0.00 H new ATOM 0 HG23 ILE A 51 2.549 9.774 1.700 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -0.169 7.370 2.578 1.00 0.00 H new ATOM 0 HD12 ILE A 51 0.693 8.713 1.792 1.00 0.00 H new ATOM 0 HD13 ILE A 51 1.415 7.087 1.819 1.00 0.00 H new ATOM 831 N THR A 52 4.147 6.554 5.037 1.00 0.00 N ATOM 832 CA THR A 52 4.129 5.411 5.927 1.00 0.00 C ATOM 833 C THR A 52 2.707 5.067 6.357 1.00 0.00 C ATOM 834 O THR A 52 1.776 5.854 6.159 1.00 0.00 O ATOM 835 CB THR A 52 4.992 5.687 7.173 1.00 0.00 C ATOM 836 OG1 THR A 52 4.784 7.036 7.621 1.00 0.00 O ATOM 837 CG2 THR A 52 6.463 5.477 6.868 1.00 0.00 C ATOM 0 H THR A 52 4.401 7.432 5.490 1.00 0.00 H new ATOM 0 HA THR A 52 4.541 4.562 5.382 1.00 0.00 H new ATOM 0 HB THR A 52 4.695 4.990 7.956 1.00 0.00 H new ATOM 0 HG1 THR A 52 5.334 7.206 8.414 1.00 0.00 H new ATOM 0 HG21 THR A 52 7.052 5.678 7.763 1.00 0.00 H new ATOM 0 HG22 THR A 52 6.625 4.447 6.550 1.00 0.00 H new ATOM 0 HG23 THR A 52 6.770 6.155 6.072 1.00 0.00 H new ATOM 845 N LEU A 53 2.550 3.894 6.955 1.00 0.00 N ATOM 846 CA LEU A 53 1.246 3.418 7.389 1.00 0.00 C ATOM 847 C LEU A 53 0.642 4.342 8.444 1.00 0.00 C ATOM 848 O LEU A 53 -0.574 4.438 8.559 1.00 0.00 O ATOM 849 CB LEU A 53 1.364 1.990 7.935 1.00 0.00 C ATOM 850 CG LEU A 53 0.080 1.397 8.528 1.00 0.00 C ATOM 851 CD1 LEU A 53 -1.037 1.380 7.500 1.00 0.00 C ATOM 852 CD2 LEU A 53 0.336 -0.009 9.051 1.00 0.00 C ATOM 0 H LEU A 53 3.317 3.251 7.151 1.00 0.00 H new ATOM 0 HA LEU A 53 0.580 3.417 6.526 1.00 0.00 H new ATOM 0 HB2 LEU A 53 1.704 1.340 7.129 1.00 0.00 H new ATOM 0 HB3 LEU A 53 2.137 1.977 8.703 1.00 0.00 H new ATOM 0 HG LEU A 53 -0.231 2.030 9.359 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -1.936 0.955 7.946 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -1.243 2.398 7.169 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -0.735 0.775 6.645 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -0.585 -0.415 9.468 1.00 0.00 H new ATOM 0 HD22 LEU A 53 0.675 -0.645 8.234 1.00 0.00 H new ATOM 0 HD23 LEU A 53 1.102 0.025 9.826 1.00 0.00 H new ATOM 864 N ALA A 54 1.495 5.030 9.198 1.00 0.00 N ATOM 865 CA ALA A 54 1.028 5.951 10.230 1.00 0.00 C ATOM 866 C ALA A 54 0.084 6.994 9.643 1.00 0.00 C ATOM 867 O ALA A 54 -1.069 7.103 10.056 1.00 0.00 O ATOM 868 CB ALA A 54 2.202 6.635 10.916 1.00 0.00 C ATOM 0 H ALA A 54 2.510 4.968 9.114 1.00 0.00 H new ATOM 0 HA ALA A 54 0.482 5.369 10.972 1.00 0.00 H new ATOM 0 HB1 ALA A 54 1.830 7.316 11.681 1.00 0.00 H new ATOM 0 HB2 ALA A 54 2.841 5.883 11.380 1.00 0.00 H new ATOM 0 HB3 ALA A 54 2.777 7.196 10.179 1.00 0.00 H new ATOM 874 N GLU A 55 0.576 7.739 8.659 1.00 0.00 N ATOM 875 CA GLU A 55 -0.214 8.781 8.020 1.00 0.00 C ATOM 876 C GLU A 55 -1.456 8.180 7.363 1.00 0.00 C ATOM 877 O GLU A 55 -2.545 8.765 7.399 1.00 0.00 O ATOM 878 CB GLU A 55 0.633 9.512 6.978 1.00 0.00 C ATOM 879 CG GLU A 55 -0.010 10.788 6.459 1.00 0.00 C ATOM 880 CD GLU A 55 0.861 11.510 5.452 1.00 0.00 C ATOM 881 OE1 GLU A 55 2.084 11.597 5.674 1.00 0.00 O ATOM 882 OE2 GLU A 55 0.326 12.006 4.440 1.00 0.00 O ATOM 0 H GLU A 55 1.520 7.639 8.287 1.00 0.00 H new ATOM 0 HA GLU A 55 -0.535 9.494 8.780 1.00 0.00 H new ATOM 0 HB2 GLU A 55 1.602 9.755 7.415 1.00 0.00 H new ATOM 0 HB3 GLU A 55 0.820 8.842 6.139 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -0.968 10.547 5.999 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -0.218 11.453 7.297 1.00 0.00 H new ATOM 889 N ALA A 56 -1.283 7.000 6.779 1.00 0.00 N ATOM 890 CA ALA A 56 -2.386 6.283 6.158 1.00 0.00 C ATOM 891 C ALA A 56 -3.450 5.922 7.181 1.00 0.00 C ATOM 892 O ALA A 56 -4.614 6.035 6.886 1.00 0.00 O ATOM 893 CB ALA A 56 -1.887 5.040 5.439 1.00 0.00 C ATOM 0 H ALA A 56 -0.385 6.519 6.723 1.00 0.00 H new ATOM 0 HA ALA A 56 -2.840 6.944 5.420 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -2.730 4.521 4.983 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -1.176 5.328 4.665 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -1.397 4.379 6.153 1.00 0.00 H new ATOM 899 N LYS A 57 -3.058 5.511 8.380 1.00 0.00 N ATOM 900 CA LYS A 57 -4.042 5.193 9.419 1.00 0.00 C ATOM 901 C LYS A 57 -4.937 6.393 9.710 1.00 0.00 C ATOM 902 O LYS A 57 -6.164 6.286 9.709 1.00 0.00 O ATOM 903 CB LYS A 57 -3.367 4.762 10.722 1.00 0.00 C ATOM 904 CG LYS A 57 -2.599 3.458 10.636 1.00 0.00 C ATOM 905 CD LYS A 57 -2.046 3.071 11.996 1.00 0.00 C ATOM 906 CE LYS A 57 -1.108 1.882 11.915 1.00 0.00 C ATOM 907 NZ LYS A 57 -0.573 1.513 13.251 1.00 0.00 N ATOM 0 H LYS A 57 -2.084 5.390 8.659 1.00 0.00 H new ATOM 0 HA LYS A 57 -4.643 4.368 9.037 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -2.684 5.550 11.039 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -4.128 4.669 11.496 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -3.253 2.669 10.266 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -1.783 3.557 9.921 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -1.516 3.921 12.426 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -2.871 2.836 12.668 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -1.636 1.030 11.486 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -0.282 2.115 11.244 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 0.064 0.696 13.156 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -0.048 2.318 13.649 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -1.360 1.266 13.884 1.00 0.00 H new ATOM 921 N GLN A 58 -4.306 7.537 9.936 1.00 0.00 N ATOM 922 CA GLN A 58 -5.014 8.754 10.321 1.00 0.00 C ATOM 923 C GLN A 58 -6.066 9.165 9.288 1.00 0.00 C ATOM 924 O GLN A 58 -7.175 9.566 9.649 1.00 0.00 O ATOM 925 CB GLN A 58 -4.014 9.894 10.550 1.00 0.00 C ATOM 926 CG GLN A 58 -3.477 9.971 11.979 1.00 0.00 C ATOM 927 CD GLN A 58 -2.755 8.715 12.433 1.00 0.00 C ATOM 928 OE1 GLN A 58 -3.372 7.777 12.936 1.00 0.00 O ATOM 929 NE2 GLN A 58 -1.440 8.708 12.307 1.00 0.00 N ATOM 0 H GLN A 58 -3.295 7.650 9.859 1.00 0.00 H new ATOM 0 HA GLN A 58 -5.544 8.544 11.250 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -3.176 9.772 9.864 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -4.494 10.840 10.302 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -2.795 10.818 12.055 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -4.306 10.167 12.658 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -0.964 9.505 11.884 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -0.901 7.906 12.632 1.00 0.00 H new ATOM 938 N THR A 59 -5.725 9.082 8.011 1.00 0.00 N ATOM 939 CA THR A 59 -6.652 9.486 6.960 1.00 0.00 C ATOM 940 C THR A 59 -7.341 8.284 6.294 1.00 0.00 C ATOM 941 O THR A 59 -8.568 8.235 6.198 1.00 0.00 O ATOM 942 CB THR A 59 -5.929 10.330 5.893 1.00 0.00 C ATOM 943 OG1 THR A 59 -5.267 11.439 6.522 1.00 0.00 O ATOM 944 CG2 THR A 59 -6.909 10.852 4.850 1.00 0.00 C ATOM 0 H THR A 59 -4.823 8.742 7.677 1.00 0.00 H new ATOM 0 HA THR A 59 -7.425 10.088 7.437 1.00 0.00 H new ATOM 0 HB THR A 59 -5.198 9.694 5.393 1.00 0.00 H new ATOM 0 HG1 THR A 59 -4.806 11.974 5.842 1.00 0.00 H new ATOM 0 HG21 THR A 59 -6.371 11.444 4.110 1.00 0.00 H new ATOM 0 HG22 THR A 59 -7.398 10.012 4.357 1.00 0.00 H new ATOM 0 HG23 THR A 59 -7.660 11.474 5.336 1.00 0.00 H new ATOM 952 N TYR A 60 -6.546 7.318 5.853 1.00 0.00 N ATOM 953 CA TYR A 60 -7.037 6.199 5.046 1.00 0.00 C ATOM 954 C TYR A 60 -7.109 4.897 5.849 1.00 0.00 C ATOM 955 O TYR A 60 -7.181 3.822 5.264 1.00 0.00 O ATOM 956 CB TYR A 60 -6.131 5.979 3.829 1.00 0.00 C ATOM 957 CG TYR A 60 -6.047 7.161 2.893 1.00 0.00 C ATOM 958 CD1 TYR A 60 -7.078 7.446 2.009 1.00 0.00 C ATOM 959 CD2 TYR A 60 -4.934 7.989 2.889 1.00 0.00 C ATOM 960 CE1 TYR A 60 -7.003 8.522 1.147 1.00 0.00 C ATOM 961 CE2 TYR A 60 -4.850 9.067 2.032 1.00 0.00 C ATOM 962 CZ TYR A 60 -5.887 9.330 1.162 1.00 0.00 C ATOM 963 OH TYR A 60 -5.811 10.402 0.306 1.00 0.00 O ATOM 0 H TYR A 60 -5.544 7.284 6.042 1.00 0.00 H new ATOM 0 HA TYR A 60 -8.044 6.462 4.723 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -5.128 5.735 4.178 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -6.494 5.115 3.272 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -7.954 6.815 1.995 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -4.119 7.786 3.568 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -7.814 8.729 0.465 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -3.976 9.702 2.043 1.00 0.00 H new ATOM 0 HH TYR A 60 -4.961 10.870 0.443 1.00 0.00 H new ATOM 973 N GLY A 61 -7.081 5.005 7.175 1.00 0.00 N ATOM 974 CA GLY A 61 -6.907 3.842 8.039 1.00 0.00 C ATOM 975 C GLY A 61 -7.934 2.737 7.864 1.00 0.00 C ATOM 976 O GLY A 61 -7.636 1.591 8.185 1.00 0.00 O ATOM 0 H GLY A 61 -7.177 5.889 7.675 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -5.916 3.424 7.861 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -6.931 4.175 9.077 1.00 0.00 H new ATOM 980 N LEU A 62 -9.119 3.082 7.347 1.00 0.00 N ATOM 981 CA LEU A 62 -10.255 2.149 7.211 1.00 0.00 C ATOM 982 C LEU A 62 -10.401 1.231 8.428 1.00 0.00 C ATOM 983 O LEU A 62 -11.068 1.584 9.404 1.00 0.00 O ATOM 984 CB LEU A 62 -10.197 1.313 5.914 1.00 0.00 C ATOM 985 CG LEU A 62 -8.969 1.503 5.017 1.00 0.00 C ATOM 986 CD1 LEU A 62 -7.891 0.474 5.329 1.00 0.00 C ATOM 987 CD2 LEU A 62 -9.359 1.422 3.552 1.00 0.00 C ATOM 0 H LEU A 62 -9.323 4.022 7.007 1.00 0.00 H new ATOM 0 HA LEU A 62 -11.140 2.782 7.153 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -10.257 0.260 6.187 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -11.085 1.540 5.325 1.00 0.00 H new ATOM 0 HG LEU A 62 -8.562 2.494 5.220 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -7.034 0.636 4.676 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -7.580 0.577 6.369 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -8.287 -0.528 5.166 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -8.473 1.559 2.932 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -9.799 0.446 3.346 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -10.085 2.202 3.325 1.00 0.00 H new ATOM 999 N SER A 63 -9.782 0.058 8.365 1.00 0.00 N ATOM 1000 CA SER A 63 -9.764 -0.868 9.486 1.00 0.00 C ATOM 1001 C SER A 63 -8.451 -1.649 9.497 1.00 0.00 C ATOM 1002 O SER A 63 -7.885 -1.935 8.438 1.00 0.00 O ATOM 1003 CB SER A 63 -10.957 -1.827 9.408 1.00 0.00 C ATOM 1004 OG SER A 63 -12.186 -1.118 9.452 1.00 0.00 O ATOM 0 H SER A 63 -9.282 -0.275 7.540 1.00 0.00 H new ATOM 0 HA SER A 63 -9.842 -0.299 10.413 1.00 0.00 H new ATOM 0 HB2 SER A 63 -10.901 -2.408 8.487 1.00 0.00 H new ATOM 0 HB3 SER A 63 -10.913 -2.536 10.235 1.00 0.00 H new ATOM 0 HG SER A 63 -12.931 -1.752 9.399 1.00 0.00 H new ATOM 1010 N ASP A 64 -7.976 -1.985 10.694 1.00 0.00 N ATOM 1011 CA ASP A 64 -6.715 -2.706 10.865 1.00 0.00 C ATOM 1012 C ASP A 64 -6.735 -4.022 10.090 1.00 0.00 C ATOM 1013 O ASP A 64 -5.819 -4.315 9.319 1.00 0.00 O ATOM 1014 CB ASP A 64 -6.458 -2.970 12.354 1.00 0.00 C ATOM 1015 CG ASP A 64 -5.131 -3.659 12.614 1.00 0.00 C ATOM 1016 OD1 ASP A 64 -4.079 -2.992 12.523 1.00 0.00 O ATOM 1017 OD2 ASP A 64 -5.130 -4.865 12.943 1.00 0.00 O ATOM 0 H ASP A 64 -8.451 -1.767 11.570 1.00 0.00 H new ATOM 0 HA ASP A 64 -5.908 -2.089 10.470 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -6.482 -2.024 12.894 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -7.265 -3.585 12.753 1.00 0.00 H new ATOM 1022 N GLU A 65 -7.802 -4.793 10.279 1.00 0.00 N ATOM 1023 CA GLU A 65 -7.972 -6.068 9.593 1.00 0.00 C ATOM 1024 C GLU A 65 -8.103 -5.884 8.091 1.00 0.00 C ATOM 1025 O GLU A 65 -7.635 -6.717 7.316 1.00 0.00 O ATOM 1026 CB GLU A 65 -9.197 -6.797 10.133 1.00 0.00 C ATOM 1027 CG GLU A 65 -8.935 -7.509 11.440 1.00 0.00 C ATOM 1028 CD GLU A 65 -7.938 -8.637 11.281 1.00 0.00 C ATOM 1029 OE1 GLU A 65 -6.721 -8.388 11.417 1.00 0.00 O ATOM 1030 OE2 GLU A 65 -8.365 -9.779 11.002 1.00 0.00 O ATOM 0 H GLU A 65 -8.568 -4.553 10.908 1.00 0.00 H new ATOM 0 HA GLU A 65 -7.080 -6.665 9.782 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -10.007 -6.081 10.272 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -9.537 -7.522 9.393 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -8.560 -6.795 12.173 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -9.872 -7.906 11.831 1.00 0.00 H new ATOM 1037 N GLU A 66 -8.747 -4.800 7.688 1.00 0.00 N ATOM 1038 CA GLU A 66 -8.879 -4.475 6.273 1.00 0.00 C ATOM 1039 C GLU A 66 -7.498 -4.339 5.637 1.00 0.00 C ATOM 1040 O GLU A 66 -7.207 -4.966 4.624 1.00 0.00 O ATOM 1041 CB GLU A 66 -9.674 -3.182 6.087 1.00 0.00 C ATOM 1042 CG GLU A 66 -9.905 -2.804 4.631 1.00 0.00 C ATOM 1043 CD GLU A 66 -10.796 -3.781 3.888 1.00 0.00 C ATOM 1044 OE1 GLU A 66 -11.894 -4.095 4.394 1.00 0.00 O ATOM 1045 OE2 GLU A 66 -10.408 -4.230 2.789 1.00 0.00 O ATOM 0 H GLU A 66 -9.187 -4.130 8.319 1.00 0.00 H new ATOM 0 HA GLU A 66 -9.419 -5.284 5.782 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -10.639 -3.286 6.583 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -9.146 -2.368 6.584 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -10.352 -1.811 4.588 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -8.943 -2.742 4.122 1.00 0.00 H new ATOM 1052 N PHE A 67 -6.639 -3.546 6.259 1.00 0.00 N ATOM 1053 CA PHE A 67 -5.286 -3.354 5.760 1.00 0.00 C ATOM 1054 C PHE A 67 -4.527 -4.681 5.802 1.00 0.00 C ATOM 1055 O PHE A 67 -3.781 -5.017 4.878 1.00 0.00 O ATOM 1056 CB PHE A 67 -4.559 -2.294 6.592 1.00 0.00 C ATOM 1057 CG PHE A 67 -3.244 -1.854 6.010 1.00 0.00 C ATOM 1058 CD1 PHE A 67 -3.191 -0.805 5.107 1.00 0.00 C ATOM 1059 CD2 PHE A 67 -2.064 -2.483 6.369 1.00 0.00 C ATOM 1060 CE1 PHE A 67 -1.985 -0.394 4.573 1.00 0.00 C ATOM 1061 CE2 PHE A 67 -0.855 -2.076 5.838 1.00 0.00 C ATOM 1062 CZ PHE A 67 -0.814 -1.029 4.939 1.00 0.00 C ATOM 0 H PHE A 67 -6.854 -3.025 7.109 1.00 0.00 H new ATOM 0 HA PHE A 67 -5.332 -3.007 4.728 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -5.207 -1.424 6.699 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -4.387 -2.688 7.594 1.00 0.00 H new ATOM 0 HD1 PHE A 67 -4.102 -0.303 4.817 1.00 0.00 H new ATOM 0 HD2 PHE A 67 -2.089 -3.302 7.073 1.00 0.00 H new ATOM 0 HE1 PHE A 67 -1.958 0.424 3.869 1.00 0.00 H new ATOM 0 HE2 PHE A 67 0.058 -2.577 6.126 1.00 0.00 H new ATOM 0 HZ PHE A 67 0.130 -0.708 4.524 1.00 0.00 H new ATOM 1072 N ASN A 68 -4.743 -5.444 6.872 1.00 0.00 N ATOM 1073 CA ASN A 68 -4.125 -6.760 7.022 1.00 0.00 C ATOM 1074 C ASN A 68 -4.541 -7.697 5.905 1.00 0.00 C ATOM 1075 O ASN A 68 -3.729 -8.477 5.412 1.00 0.00 O ATOM 1076 CB ASN A 68 -4.488 -7.399 8.368 1.00 0.00 C ATOM 1077 CG ASN A 68 -3.826 -6.725 9.549 1.00 0.00 C ATOM 1078 OD1 ASN A 68 -2.750 -6.136 9.426 1.00 0.00 O ATOM 1079 ND2 ASN A 68 -4.452 -6.823 10.712 1.00 0.00 N ATOM 0 H ASN A 68 -5.344 -5.172 7.650 1.00 0.00 H new ATOM 0 HA ASN A 68 -3.047 -6.605 6.978 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -5.570 -7.365 8.498 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -4.202 -8.451 8.352 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -4.045 -6.402 11.547 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -5.341 -7.319 10.772 1.00 0.00 H new ATOM 1086 N SER A 69 -5.804 -7.621 5.499 1.00 0.00 N ATOM 1087 CA SER A 69 -6.332 -8.523 4.489 1.00 0.00 C ATOM 1088 C SER A 69 -5.622 -8.318 3.150 1.00 0.00 C ATOM 1089 O SER A 69 -5.426 -9.269 2.394 1.00 0.00 O ATOM 1090 CB SER A 69 -7.853 -8.343 4.341 1.00 0.00 C ATOM 1091 OG SER A 69 -8.188 -7.146 3.661 1.00 0.00 O ATOM 0 H SER A 69 -6.478 -6.944 5.855 1.00 0.00 H new ATOM 0 HA SER A 69 -6.143 -9.546 4.814 1.00 0.00 H new ATOM 0 HB2 SER A 69 -8.267 -9.194 3.800 1.00 0.00 H new ATOM 0 HB3 SER A 69 -8.314 -8.339 5.329 1.00 0.00 H new ATOM 0 HG SER A 69 -7.600 -6.423 3.963 1.00 0.00 H new ATOM 1097 N TRP A 70 -5.204 -7.083 2.874 1.00 0.00 N ATOM 1098 CA TRP A 70 -4.520 -6.781 1.626 1.00 0.00 C ATOM 1099 C TRP A 70 -3.133 -7.408 1.640 1.00 0.00 C ATOM 1100 O TRP A 70 -2.743 -8.105 0.705 1.00 0.00 O ATOM 1101 CB TRP A 70 -4.399 -5.268 1.419 1.00 0.00 C ATOM 1102 CG TRP A 70 -5.695 -4.522 1.562 1.00 0.00 C ATOM 1103 CD1 TRP A 70 -6.959 -5.041 1.545 1.00 0.00 C ATOM 1104 CD2 TRP A 70 -5.848 -3.112 1.738 1.00 0.00 C ATOM 1105 NE1 TRP A 70 -7.882 -4.040 1.722 1.00 0.00 N ATOM 1106 CE2 TRP A 70 -7.226 -2.846 1.834 1.00 0.00 C ATOM 1107 CE3 TRP A 70 -4.953 -2.047 1.828 1.00 0.00 C ATOM 1108 CZ2 TRP A 70 -7.725 -1.562 2.017 1.00 0.00 C ATOM 1109 CZ3 TRP A 70 -5.448 -0.775 2.009 1.00 0.00 C ATOM 1110 CH2 TRP A 70 -6.824 -0.540 2.099 1.00 0.00 C ATOM 0 H TRP A 70 -5.328 -6.284 3.495 1.00 0.00 H new ATOM 0 HA TRP A 70 -5.104 -7.195 0.804 1.00 0.00 H new ATOM 0 HB2 TRP A 70 -3.682 -4.870 2.138 1.00 0.00 H new ATOM 0 HB3 TRP A 70 -3.992 -5.080 0.426 1.00 0.00 H new ATOM 0 HD1 TRP A 70 -7.197 -6.086 1.412 1.00 0.00 H new ATOM 0 HE1 TRP A 70 -8.893 -4.167 1.763 1.00 0.00 H new ATOM 0 HE3 TRP A 70 -3.889 -2.217 1.757 1.00 0.00 H new ATOM 0 HZ2 TRP A 70 -8.787 -1.379 2.092 1.00 0.00 H new ATOM 0 HZ3 TRP A 70 -4.762 0.056 2.083 1.00 0.00 H new ATOM 0 HH2 TRP A 70 -7.181 0.470 2.236 1.00 0.00 H new ATOM 1121 N VAL A 71 -2.404 -7.174 2.724 1.00 0.00 N ATOM 1122 CA VAL A 71 -1.058 -7.711 2.870 1.00 0.00 C ATOM 1123 C VAL A 71 -1.093 -9.235 2.962 1.00 0.00 C ATOM 1124 O VAL A 71 -0.213 -9.914 2.449 1.00 0.00 O ATOM 1125 CB VAL A 71 -0.355 -7.147 4.122 1.00 0.00 C ATOM 1126 CG1 VAL A 71 1.095 -7.610 4.186 1.00 0.00 C ATOM 1127 CG2 VAL A 71 -0.433 -5.626 4.142 1.00 0.00 C ATOM 0 H VAL A 71 -2.723 -6.615 3.515 1.00 0.00 H new ATOM 0 HA VAL A 71 -0.495 -7.409 1.987 1.00 0.00 H new ATOM 0 HB VAL A 71 -0.872 -7.530 5.002 1.00 0.00 H new ATOM 0 HG11 VAL A 71 1.569 -7.199 5.077 1.00 0.00 H new ATOM 0 HG12 VAL A 71 1.128 -8.699 4.227 1.00 0.00 H new ATOM 0 HG13 VAL A 71 1.627 -7.264 3.300 1.00 0.00 H new ATOM 0 HG21 VAL A 71 0.068 -5.248 5.033 1.00 0.00 H new ATOM 0 HG22 VAL A 71 0.054 -5.225 3.253 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -1.478 -5.315 4.154 1.00 0.00 H new ATOM 1137 N SER A 72 -2.127 -9.763 3.608 1.00 0.00 N ATOM 1138 CA SER A 72 -2.284 -11.206 3.752 1.00 0.00 C ATOM 1139 C SER A 72 -2.451 -11.881 2.393 1.00 0.00 C ATOM 1140 O SER A 72 -1.967 -12.993 2.183 1.00 0.00 O ATOM 1141 CB SER A 72 -3.480 -11.524 4.653 1.00 0.00 C ATOM 1142 OG SER A 72 -3.252 -11.073 5.978 1.00 0.00 O ATOM 0 H SER A 72 -2.869 -9.213 4.040 1.00 0.00 H new ATOM 0 HA SER A 72 -1.379 -11.598 4.215 1.00 0.00 H new ATOM 0 HB2 SER A 72 -4.377 -11.051 4.253 1.00 0.00 H new ATOM 0 HB3 SER A 72 -3.661 -12.599 4.657 1.00 0.00 H new ATOM 0 HG SER A 72 -3.481 -10.123 6.044 1.00 0.00 H new ATOM 1148 N ALA A 73 -3.118 -11.199 1.472 1.00 0.00 N ATOM 1149 CA ALA A 73 -3.306 -11.728 0.128 1.00 0.00 C ATOM 1150 C ALA A 73 -2.001 -11.660 -0.656 1.00 0.00 C ATOM 1151 O ALA A 73 -1.674 -12.562 -1.424 1.00 0.00 O ATOM 1152 CB ALA A 73 -4.405 -10.965 -0.595 1.00 0.00 C ATOM 0 H ALA A 73 -3.536 -10.282 1.630 1.00 0.00 H new ATOM 0 HA ALA A 73 -3.608 -12.773 0.205 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -4.532 -11.373 -1.598 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -5.339 -11.062 -0.042 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -4.132 -9.912 -0.664 1.00 0.00 H new ATOM 1158 N LEU A 74 -1.244 -10.596 -0.422 1.00 0.00 N ATOM 1159 CA LEU A 74 0.018 -10.377 -1.111 1.00 0.00 C ATOM 1160 C LEU A 74 1.101 -11.288 -0.557 1.00 0.00 C ATOM 1161 O LEU A 74 1.996 -11.724 -1.278 1.00 0.00 O ATOM 1162 CB LEU A 74 0.433 -8.911 -0.967 1.00 0.00 C ATOM 1163 CG LEU A 74 -0.490 -7.915 -1.668 1.00 0.00 C ATOM 1164 CD1 LEU A 74 -0.109 -6.489 -1.312 1.00 0.00 C ATOM 1165 CD2 LEU A 74 -0.440 -8.125 -3.175 1.00 0.00 C ATOM 0 H LEU A 74 -1.487 -9.865 0.247 1.00 0.00 H new ATOM 0 HA LEU A 74 -0.113 -10.613 -2.167 1.00 0.00 H new ATOM 0 HB2 LEU A 74 0.476 -8.662 0.093 1.00 0.00 H new ATOM 0 HB3 LEU A 74 1.441 -8.792 -1.363 1.00 0.00 H new ATOM 0 HG LEU A 74 -1.511 -8.087 -1.327 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -0.778 -5.796 -1.821 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -0.192 -6.348 -0.234 1.00 0.00 H new ATOM 0 HD13 LEU A 74 0.918 -6.298 -1.624 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -1.101 -7.410 -3.664 1.00 0.00 H new ATOM 0 HD22 LEU A 74 0.580 -7.977 -3.529 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -0.763 -9.139 -3.412 1.00 0.00 H new ATOM 1177 N ALA A 75 1.008 -11.576 0.732 1.00 0.00 N ATOM 1178 CA ALA A 75 1.971 -12.439 1.392 1.00 0.00 C ATOM 1179 C ALA A 75 1.551 -13.900 1.308 1.00 0.00 C ATOM 1180 O ALA A 75 2.193 -14.767 1.905 1.00 0.00 O ATOM 1181 CB ALA A 75 2.154 -12.022 2.845 1.00 0.00 C ATOM 0 H ALA A 75 0.272 -11.222 1.343 1.00 0.00 H new ATOM 0 HA ALA A 75 2.924 -12.333 0.875 1.00 0.00 H new ATOM 0 HB1 ALA A 75 2.879 -12.680 3.324 1.00 0.00 H new ATOM 0 HB2 ALA A 75 2.514 -10.994 2.886 1.00 0.00 H new ATOM 0 HB3 ALA A 75 1.200 -12.093 3.367 1.00 0.00 H new ATOM 1187 N GLU A 76 0.470 -14.154 0.572 1.00 0.00 N ATOM 1188 CA GLU A 76 -0.052 -15.504 0.378 1.00 0.00 C ATOM 1189 C GLU A 76 -0.278 -16.190 1.724 1.00 0.00 C ATOM 1190 O GLU A 76 0.261 -17.267 1.993 1.00 0.00 O ATOM 1191 CB GLU A 76 0.903 -16.314 -0.503 1.00 0.00 C ATOM 1192 CG GLU A 76 0.307 -17.606 -1.033 1.00 0.00 C ATOM 1193 CD GLU A 76 1.272 -18.362 -1.917 1.00 0.00 C ATOM 1194 OE1 GLU A 76 1.283 -18.110 -3.141 1.00 0.00 O ATOM 1195 OE2 GLU A 76 2.031 -19.203 -1.391 1.00 0.00 O ATOM 0 H GLU A 76 -0.067 -13.430 0.094 1.00 0.00 H new ATOM 0 HA GLU A 76 -1.015 -15.442 -0.129 1.00 0.00 H new ATOM 0 HB2 GLU A 76 1.215 -15.697 -1.346 1.00 0.00 H new ATOM 0 HB3 GLU A 76 1.800 -16.548 0.070 1.00 0.00 H new ATOM 0 HG2 GLU A 76 0.013 -18.239 -0.195 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -0.599 -17.382 -1.596 1.00 0.00 H new ATOM 1202 N HIS A 77 -1.052 -15.516 2.580 1.00 0.00 N ATOM 1203 CA HIS A 77 -1.414 -16.024 3.911 1.00 0.00 C ATOM 1204 C HIS A 77 -0.219 -15.991 4.858 1.00 0.00 C ATOM 1205 O HIS A 77 -0.274 -16.541 5.958 1.00 0.00 O ATOM 1206 CB HIS A 77 -1.984 -17.450 3.839 1.00 0.00 C ATOM 1207 CG HIS A 77 -3.345 -17.534 3.218 1.00 0.00 C ATOM 1208 ND1 HIS A 77 -4.478 -17.845 3.934 1.00 0.00 N ATOM 1209 CD2 HIS A 77 -3.750 -17.364 1.937 1.00 0.00 C ATOM 1210 CE1 HIS A 77 -5.517 -17.866 3.125 1.00 0.00 C ATOM 1211 NE2 HIS A 77 -5.107 -17.576 1.907 1.00 0.00 N ATOM 0 H HIS A 77 -1.448 -14.599 2.371 1.00 0.00 H new ATOM 0 HA HIS A 77 -2.189 -15.365 4.301 1.00 0.00 H new ATOM 0 HB2 HIS A 77 -1.297 -18.076 3.269 1.00 0.00 H new ATOM 0 HB3 HIS A 77 -2.030 -17.863 4.847 1.00 0.00 H new ATOM 0 HD2 HIS A 77 -3.123 -17.109 1.095 1.00 0.00 H new ATOM 0 HE1 HIS A 77 -6.535 -18.084 3.412 1.00 0.00 H new ATOM 0 HE2 HIS A 77 -5.699 -17.518 1.079 1.00 0.00 H new ATOM 1220 N GLY A 78 0.850 -15.332 4.435 1.00 0.00 N ATOM 1221 CA GLY A 78 2.045 -15.256 5.255 1.00 0.00 C ATOM 1222 C GLY A 78 2.951 -16.445 5.027 1.00 0.00 C ATOM 1223 O GLY A 78 3.326 -17.138 5.971 1.00 0.00 O ATOM 0 H GLY A 78 0.913 -14.848 3.539 1.00 0.00 H new ATOM 0 HA2 GLY A 78 2.585 -14.337 5.028 1.00 0.00 H new ATOM 0 HA3 GLY A 78 1.763 -15.209 6.307 1.00 0.00 H new ATOM 1227 N LYS A 79 3.293 -16.675 3.764 1.00 0.00 N ATOM 1228 CA LYS A 79 4.128 -17.810 3.382 1.00 0.00 C ATOM 1229 C LYS A 79 5.531 -17.696 3.976 1.00 0.00 C ATOM 1230 O LYS A 79 6.208 -18.701 4.186 1.00 0.00 O ATOM 1231 CB LYS A 79 4.200 -17.919 1.854 1.00 0.00 C ATOM 1232 CG LYS A 79 4.755 -16.679 1.171 1.00 0.00 C ATOM 1233 CD LYS A 79 4.618 -16.760 -0.343 1.00 0.00 C ATOM 1234 CE LYS A 79 5.356 -17.958 -0.926 1.00 0.00 C ATOM 1235 NZ LYS A 79 6.808 -17.929 -0.607 1.00 0.00 N ATOM 0 H LYS A 79 3.003 -16.087 2.983 1.00 0.00 H new ATOM 0 HA LYS A 79 3.672 -18.715 3.783 1.00 0.00 H new ATOM 0 HB2 LYS A 79 4.821 -18.775 1.590 1.00 0.00 H new ATOM 0 HB3 LYS A 79 3.201 -18.118 1.467 1.00 0.00 H new ATOM 0 HG2 LYS A 79 4.230 -15.797 1.537 1.00 0.00 H new ATOM 0 HG3 LYS A 79 5.806 -16.558 1.435 1.00 0.00 H new ATOM 0 HD2 LYS A 79 3.562 -16.822 -0.607 1.00 0.00 H new ATOM 0 HD3 LYS A 79 5.005 -15.844 -0.790 1.00 0.00 H new ATOM 0 HE2 LYS A 79 4.918 -18.877 -0.537 1.00 0.00 H new ATOM 0 HE3 LYS A 79 5.223 -17.974 -2.008 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 7.358 -18.041 -1.482 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 7.047 -17.020 -0.161 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 7.035 -18.705 0.046 1.00 0.00 H new ATOM 1249 N ASP A 80 5.961 -16.469 4.241 1.00 0.00 N ATOM 1250 CA ASP A 80 7.258 -16.226 4.867 1.00 0.00 C ATOM 1251 C ASP A 80 7.310 -14.825 5.462 1.00 0.00 C ATOM 1252 O ASP A 80 7.829 -14.632 6.559 1.00 0.00 O ATOM 1253 CB ASP A 80 8.416 -16.431 3.869 1.00 0.00 C ATOM 1254 CG ASP A 80 8.308 -15.579 2.616 1.00 0.00 C ATOM 1255 OD1 ASP A 80 8.542 -14.355 2.696 1.00 0.00 O ATOM 1256 OD2 ASP A 80 7.995 -16.135 1.541 1.00 0.00 O ATOM 0 H ASP A 80 5.430 -15.623 4.032 1.00 0.00 H new ATOM 0 HA ASP A 80 7.379 -16.953 5.670 1.00 0.00 H new ATOM 0 HB2 ASP A 80 9.358 -16.206 4.369 1.00 0.00 H new ATOM 0 HB3 ASP A 80 8.452 -17.481 3.580 1.00 0.00 H new ATOM 1261 N ALA A 81 6.767 -13.856 4.721 1.00 0.00 N ATOM 1262 CA ALA A 81 6.690 -12.459 5.160 1.00 0.00 C ATOM 1263 C ALA A 81 8.078 -11.835 5.297 1.00 0.00 C ATOM 1264 O ALA A 81 8.227 -10.747 5.848 1.00 0.00 O ATOM 1265 CB ALA A 81 5.915 -12.340 6.468 1.00 0.00 C ATOM 0 H ALA A 81 6.367 -14.018 3.797 1.00 0.00 H new ATOM 0 HA ALA A 81 6.152 -11.905 4.390 1.00 0.00 H new ATOM 0 HB1 ALA A 81 5.872 -11.294 6.772 1.00 0.00 H new ATOM 0 HB2 ALA A 81 4.903 -12.718 6.327 1.00 0.00 H new ATOM 0 HB3 ALA A 81 6.415 -12.922 7.242 1.00 0.00 H new ATOM 1271 N LEU A 82 9.083 -12.521 4.766 1.00 0.00 N ATOM 1272 CA LEU A 82 10.464 -12.062 4.863 1.00 0.00 C ATOM 1273 C LEU A 82 11.061 -11.848 3.480 1.00 0.00 C ATOM 1274 O LEU A 82 11.957 -11.022 3.300 1.00 0.00 O ATOM 1275 CB LEU A 82 11.308 -13.076 5.643 1.00 0.00 C ATOM 1276 CG LEU A 82 10.896 -13.284 7.102 1.00 0.00 C ATOM 1277 CD1 LEU A 82 11.744 -14.373 7.741 1.00 0.00 C ATOM 1278 CD2 LEU A 82 11.022 -11.986 7.884 1.00 0.00 C ATOM 0 H LEU A 82 8.967 -13.400 4.262 1.00 0.00 H new ATOM 0 HA LEU A 82 10.468 -11.110 5.394 1.00 0.00 H new ATOM 0 HB2 LEU A 82 11.260 -14.036 5.129 1.00 0.00 H new ATOM 0 HB3 LEU A 82 12.349 -12.753 5.619 1.00 0.00 H new ATOM 0 HG LEU A 82 9.852 -13.598 7.124 1.00 0.00 H new ATOM 0 HD11 LEU A 82 11.439 -14.510 8.779 1.00 0.00 H new ATOM 0 HD12 LEU A 82 11.607 -15.307 7.197 1.00 0.00 H new ATOM 0 HD13 LEU A 82 12.794 -14.084 7.706 1.00 0.00 H new ATOM 0 HD21 LEU A 82 10.725 -12.154 8.919 1.00 0.00 H new ATOM 0 HD22 LEU A 82 12.056 -11.643 7.855 1.00 0.00 H new ATOM 0 HD23 LEU A 82 10.376 -11.229 7.439 1.00 0.00 H new ATOM 1290 N LYS A 83 10.567 -12.596 2.505 1.00 0.00 N ATOM 1291 CA LYS A 83 11.055 -12.495 1.136 1.00 0.00 C ATOM 1292 C LYS A 83 10.145 -11.591 0.317 1.00 0.00 C ATOM 1293 O LYS A 83 10.502 -11.159 -0.780 1.00 0.00 O ATOM 1294 CB LYS A 83 11.128 -13.882 0.494 1.00 0.00 C ATOM 1295 CG LYS A 83 11.958 -14.881 1.284 1.00 0.00 C ATOM 1296 CD LYS A 83 11.836 -16.276 0.699 1.00 0.00 C ATOM 1297 CE LYS A 83 12.499 -17.318 1.584 1.00 0.00 C ATOM 1298 NZ LYS A 83 12.225 -18.699 1.108 1.00 0.00 N ATOM 0 H LYS A 83 9.825 -13.283 2.637 1.00 0.00 H new ATOM 0 HA LYS A 83 12.056 -12.063 1.156 1.00 0.00 H new ATOM 0 HB2 LYS A 83 10.117 -14.273 0.380 1.00 0.00 H new ATOM 0 HB3 LYS A 83 11.547 -13.787 -0.508 1.00 0.00 H new ATOM 0 HG2 LYS A 83 13.003 -14.572 1.282 1.00 0.00 H new ATOM 0 HG3 LYS A 83 11.630 -14.889 2.324 1.00 0.00 H new ATOM 0 HD2 LYS A 83 10.783 -16.525 0.570 1.00 0.00 H new ATOM 0 HD3 LYS A 83 12.292 -16.296 -0.291 1.00 0.00 H new ATOM 0 HE2 LYS A 83 13.575 -17.147 1.604 1.00 0.00 H new ATOM 0 HE3 LYS A 83 12.140 -17.208 2.607 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 12.694 -19.382 1.737 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 11.199 -18.871 1.113 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 12.590 -18.812 0.141 1.00 0.00 H new ATOM 1312 N VAL A 84 8.966 -11.311 0.861 1.00 0.00 N ATOM 1313 CA VAL A 84 7.995 -10.450 0.199 1.00 0.00 C ATOM 1314 C VAL A 84 8.561 -9.042 0.032 1.00 0.00 C ATOM 1315 O VAL A 84 8.844 -8.368 1.019 1.00 0.00 O ATOM 1316 CB VAL A 84 6.676 -10.381 0.995 1.00 0.00 C ATOM 1317 CG1 VAL A 84 5.640 -9.543 0.260 1.00 0.00 C ATOM 1318 CG2 VAL A 84 6.141 -11.778 1.264 1.00 0.00 C ATOM 0 H VAL A 84 8.659 -11.671 1.765 1.00 0.00 H new ATOM 0 HA VAL A 84 7.788 -10.878 -0.782 1.00 0.00 H new ATOM 0 HB VAL A 84 6.882 -9.900 1.951 1.00 0.00 H new ATOM 0 HG11 VAL A 84 4.719 -9.510 0.842 1.00 0.00 H new ATOM 0 HG12 VAL A 84 6.020 -8.530 0.125 1.00 0.00 H new ATOM 0 HG13 VAL A 84 5.437 -9.987 -0.714 1.00 0.00 H new ATOM 0 HG21 VAL A 84 5.210 -11.709 1.827 1.00 0.00 H new ATOM 0 HG22 VAL A 84 5.956 -12.285 0.317 1.00 0.00 H new ATOM 0 HG23 VAL A 84 6.873 -12.343 1.841 1.00 0.00 H new ATOM 1328 N THR A 85 8.713 -8.616 -1.219 1.00 0.00 N ATOM 1329 CA THR A 85 9.369 -7.352 -1.562 1.00 0.00 C ATOM 1330 C THR A 85 8.860 -6.169 -0.732 1.00 0.00 C ATOM 1331 O THR A 85 9.641 -5.493 -0.060 1.00 0.00 O ATOM 1332 CB THR A 85 9.173 -7.044 -3.058 1.00 0.00 C ATOM 1333 OG1 THR A 85 9.450 -8.221 -3.823 1.00 0.00 O ATOM 1334 CG2 THR A 85 10.087 -5.913 -3.516 1.00 0.00 C ATOM 0 H THR A 85 8.383 -9.139 -2.030 1.00 0.00 H new ATOM 0 HA THR A 85 10.427 -7.479 -1.334 1.00 0.00 H new ATOM 0 HB THR A 85 8.141 -6.729 -3.211 1.00 0.00 H new ATOM 0 HG1 THR A 85 9.325 -8.029 -4.776 1.00 0.00 H new ATOM 0 HG21 THR A 85 9.924 -5.720 -4.576 1.00 0.00 H new ATOM 0 HG22 THR A 85 9.865 -5.012 -2.945 1.00 0.00 H new ATOM 0 HG23 THR A 85 11.127 -6.197 -3.355 1.00 0.00 H new ATOM 1342 N ALA A 86 7.553 -5.936 -0.767 1.00 0.00 N ATOM 1343 CA ALA A 86 6.957 -4.778 -0.104 1.00 0.00 C ATOM 1344 C ALA A 86 7.141 -4.831 1.414 1.00 0.00 C ATOM 1345 O ALA A 86 7.247 -3.797 2.072 1.00 0.00 O ATOM 1346 CB ALA A 86 5.480 -4.681 -0.449 1.00 0.00 C ATOM 0 H ALA A 86 6.882 -6.535 -1.249 1.00 0.00 H new ATOM 0 HA ALA A 86 7.474 -3.889 -0.467 1.00 0.00 H new ATOM 0 HB1 ALA A 86 5.046 -3.815 0.050 1.00 0.00 H new ATOM 0 HB2 ALA A 86 5.365 -4.574 -1.528 1.00 0.00 H new ATOM 0 HB3 ALA A 86 4.969 -5.585 -0.117 1.00 0.00 H new ATOM 1352 N LEU A 87 7.219 -6.035 1.957 1.00 0.00 N ATOM 1353 CA LEU A 87 7.270 -6.212 3.398 1.00 0.00 C ATOM 1354 C LEU A 87 8.718 -6.155 3.857 1.00 0.00 C ATOM 1355 O LEU A 87 9.049 -5.481 4.833 1.00 0.00 O ATOM 1356 CB LEU A 87 6.622 -7.548 3.794 1.00 0.00 C ATOM 1357 CG LEU A 87 5.989 -7.601 5.194 1.00 0.00 C ATOM 1358 CD1 LEU A 87 7.030 -7.409 6.289 1.00 0.00 C ATOM 1359 CD2 LEU A 87 4.889 -6.557 5.320 1.00 0.00 C ATOM 0 H LEU A 87 7.248 -6.903 1.422 1.00 0.00 H new ATOM 0 HA LEU A 87 6.712 -5.412 3.885 1.00 0.00 H new ATOM 0 HB2 LEU A 87 5.853 -7.788 3.060 1.00 0.00 H new ATOM 0 HB3 LEU A 87 7.379 -8.330 3.729 1.00 0.00 H new ATOM 0 HG LEU A 87 5.553 -8.592 5.321 1.00 0.00 H new ATOM 0 HD11 LEU A 87 6.545 -7.453 7.264 1.00 0.00 H new ATOM 0 HD12 LEU A 87 7.779 -8.198 6.221 1.00 0.00 H new ATOM 0 HD13 LEU A 87 7.512 -6.439 6.167 1.00 0.00 H new ATOM 0 HD21 LEU A 87 4.451 -6.608 6.317 1.00 0.00 H new ATOM 0 HD22 LEU A 87 5.309 -5.564 5.159 1.00 0.00 H new ATOM 0 HD23 LEU A 87 4.117 -6.750 4.575 1.00 0.00 H new ATOM 1371 N LYS A 88 9.577 -6.850 3.123 1.00 0.00 N ATOM 1372 CA LYS A 88 11.003 -6.849 3.394 1.00 0.00 C ATOM 1373 C LYS A 88 11.534 -5.426 3.383 1.00 0.00 C ATOM 1374 O LYS A 88 12.312 -5.039 4.250 1.00 0.00 O ATOM 1375 CB LYS A 88 11.742 -7.693 2.351 1.00 0.00 C ATOM 1376 CG LYS A 88 13.258 -7.647 2.481 1.00 0.00 C ATOM 1377 CD LYS A 88 13.932 -8.480 1.403 1.00 0.00 C ATOM 1378 CE LYS A 88 15.448 -8.362 1.458 1.00 0.00 C ATOM 1379 NZ LYS A 88 15.996 -8.761 2.782 1.00 0.00 N ATOM 0 H LYS A 88 9.304 -7.427 2.327 1.00 0.00 H new ATOM 0 HA LYS A 88 11.172 -7.283 4.379 1.00 0.00 H new ATOM 0 HB2 LYS A 88 11.411 -8.728 2.435 1.00 0.00 H new ATOM 0 HB3 LYS A 88 11.462 -7.349 1.355 1.00 0.00 H new ATOM 0 HG2 LYS A 88 13.600 -6.614 2.412 1.00 0.00 H new ATOM 0 HG3 LYS A 88 13.552 -8.015 3.464 1.00 0.00 H new ATOM 0 HD2 LYS A 88 13.645 -9.525 1.520 1.00 0.00 H new ATOM 0 HD3 LYS A 88 13.578 -8.160 0.423 1.00 0.00 H new ATOM 0 HE2 LYS A 88 15.888 -8.988 0.681 1.00 0.00 H new ATOM 0 HE3 LYS A 88 15.739 -7.334 1.241 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 16.804 -9.401 2.645 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 16.309 -7.914 3.298 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 15.258 -9.247 3.331 1.00 0.00 H new ATOM 1393 N LYS A 89 11.079 -4.639 2.417 1.00 0.00 N ATOM 1394 CA LYS A 89 11.550 -3.268 2.287 1.00 0.00 C ATOM 1395 C LYS A 89 11.023 -2.393 3.412 1.00 0.00 C ATOM 1396 O LYS A 89 11.790 -1.679 4.050 1.00 0.00 O ATOM 1397 CB LYS A 89 11.163 -2.669 0.936 1.00 0.00 C ATOM 1398 CG LYS A 89 11.937 -3.253 -0.231 1.00 0.00 C ATOM 1399 CD LYS A 89 11.684 -2.471 -1.507 1.00 0.00 C ATOM 1400 CE LYS A 89 12.533 -2.986 -2.659 1.00 0.00 C ATOM 1401 NZ LYS A 89 13.987 -2.969 -2.339 1.00 0.00 N ATOM 0 H LYS A 89 10.392 -4.923 1.719 1.00 0.00 H new ATOM 0 HA LYS A 89 12.638 -3.299 2.351 1.00 0.00 H new ATOM 0 HB2 LYS A 89 10.097 -2.827 0.770 1.00 0.00 H new ATOM 0 HB3 LYS A 89 11.325 -1.592 0.966 1.00 0.00 H new ATOM 0 HG2 LYS A 89 13.003 -3.246 -0.003 1.00 0.00 H new ATOM 0 HG3 LYS A 89 11.649 -4.294 -0.377 1.00 0.00 H new ATOM 0 HD2 LYS A 89 10.629 -2.540 -1.773 1.00 0.00 H new ATOM 0 HD3 LYS A 89 11.902 -1.417 -1.337 1.00 0.00 H new ATOM 0 HE2 LYS A 89 12.229 -4.003 -2.905 1.00 0.00 H new ATOM 0 HE3 LYS A 89 12.350 -2.376 -3.544 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 14.537 -3.063 -3.217 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 14.229 -2.071 -1.873 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 14.212 -3.761 -1.703 1.00 0.00 H new ATOM 1415 N TYR A 90 9.727 -2.470 3.677 1.00 0.00 N ATOM 1416 CA TYR A 90 9.103 -1.612 4.682 1.00 0.00 C ATOM 1417 C TYR A 90 9.625 -1.933 6.082 1.00 0.00 C ATOM 1418 O TYR A 90 9.537 -1.114 6.991 1.00 0.00 O ATOM 1419 CB TYR A 90 7.582 -1.768 4.645 1.00 0.00 C ATOM 1420 CG TYR A 90 6.834 -0.690 5.404 1.00 0.00 C ATOM 1421 CD1 TYR A 90 6.856 0.630 4.969 1.00 0.00 C ATOM 1422 CD2 TYR A 90 6.100 -0.991 6.546 1.00 0.00 C ATOM 1423 CE1 TYR A 90 6.171 1.620 5.649 1.00 0.00 C ATOM 1424 CE2 TYR A 90 5.412 -0.006 7.233 1.00 0.00 C ATOM 1425 CZ TYR A 90 5.451 1.297 6.780 1.00 0.00 C ATOM 1426 OH TYR A 90 4.762 2.282 7.456 1.00 0.00 O ATOM 0 H TYR A 90 9.086 -3.114 3.214 1.00 0.00 H new ATOM 0 HA TYR A 90 9.362 -0.580 4.448 1.00 0.00 H new ATOM 0 HB2 TYR A 90 7.251 -1.763 3.606 1.00 0.00 H new ATOM 0 HB3 TYR A 90 7.316 -2.741 5.059 1.00 0.00 H new ATOM 0 HD1 TYR A 90 7.418 0.887 4.084 1.00 0.00 H new ATOM 0 HD2 TYR A 90 6.066 -2.010 6.903 1.00 0.00 H new ATOM 0 HE1 TYR A 90 6.200 2.640 5.296 1.00 0.00 H new ATOM 0 HE2 TYR A 90 4.847 -0.256 8.119 1.00 0.00 H new ATOM 0 HH TYR A 90 4.306 1.890 8.230 1.00 0.00 H new ATOM 1436 N ARG A 91 10.165 -3.131 6.250 1.00 0.00 N ATOM 1437 CA ARG A 91 10.700 -3.548 7.536 1.00 0.00 C ATOM 1438 C ARG A 91 12.191 -3.226 7.627 1.00 0.00 C ATOM 1439 O ARG A 91 12.660 -2.686 8.627 1.00 0.00 O ATOM 1440 CB ARG A 91 10.468 -5.049 7.731 1.00 0.00 C ATOM 1441 CG ARG A 91 10.773 -5.556 9.131 1.00 0.00 C ATOM 1442 CD ARG A 91 10.544 -7.055 9.225 1.00 0.00 C ATOM 1443 NE ARG A 91 10.777 -7.579 10.569 1.00 0.00 N ATOM 1444 CZ ARG A 91 11.736 -8.454 10.865 1.00 0.00 C ATOM 1445 NH1 ARG A 91 12.595 -8.841 9.927 1.00 0.00 N ATOM 1446 NH2 ARG A 91 11.850 -8.924 12.099 1.00 0.00 N ATOM 0 H ARG A 91 10.244 -3.831 5.512 1.00 0.00 H new ATOM 0 HA ARG A 91 10.184 -3.002 8.325 1.00 0.00 H new ATOM 0 HB2 ARG A 91 9.429 -5.277 7.494 1.00 0.00 H new ATOM 0 HB3 ARG A 91 11.085 -5.595 7.018 1.00 0.00 H new ATOM 0 HG2 ARG A 91 11.806 -5.325 9.389 1.00 0.00 H new ATOM 0 HG3 ARG A 91 10.141 -5.041 9.855 1.00 0.00 H new ATOM 0 HD2 ARG A 91 9.521 -7.282 8.924 1.00 0.00 H new ATOM 0 HD3 ARG A 91 11.204 -7.564 8.522 1.00 0.00 H new ATOM 0 HE ARG A 91 10.171 -7.256 11.323 1.00 0.00 H new ATOM 0 HH11 ARG A 91 12.519 -8.468 8.981 1.00 0.00 H new ATOM 0 HH12 ARG A 91 13.330 -9.511 10.154 1.00 0.00 H new ATOM 0 HH21 ARG A 91 11.202 -8.615 12.824 1.00 0.00 H new ATOM 0 HH22 ARG A 91 12.585 -9.594 12.324 1.00 0.00 H new ATOM 1460 N GLN A 92 12.925 -3.537 6.560 1.00 0.00 N ATOM 1461 CA GLN A 92 14.381 -3.385 6.545 1.00 0.00 C ATOM 1462 C GLN A 92 14.791 -1.919 6.404 1.00 0.00 C ATOM 1463 O GLN A 92 15.797 -1.490 6.972 1.00 0.00 O ATOM 1464 CB GLN A 92 14.973 -4.207 5.395 1.00 0.00 C ATOM 1465 CG GLN A 92 16.490 -4.296 5.397 1.00 0.00 C ATOM 1466 CD GLN A 92 17.020 -5.025 4.177 1.00 0.00 C ATOM 1467 OE1 GLN A 92 17.155 -6.251 4.179 1.00 0.00 O ATOM 1468 NE2 GLN A 92 17.326 -4.277 3.130 1.00 0.00 N ATOM 0 H GLN A 92 12.534 -3.898 5.690 1.00 0.00 H new ATOM 0 HA GLN A 92 14.770 -3.749 7.496 1.00 0.00 H new ATOM 0 HB2 GLN A 92 14.563 -5.216 5.438 1.00 0.00 H new ATOM 0 HB3 GLN A 92 14.649 -3.771 4.450 1.00 0.00 H new ATOM 0 HG2 GLN A 92 16.912 -3.291 5.430 1.00 0.00 H new ATOM 0 HG3 GLN A 92 16.821 -4.811 6.299 1.00 0.00 H new ATOM 0 HE21 GLN A 92 17.199 -3.266 3.171 1.00 0.00 H new ATOM 0 HE22 GLN A 92 17.689 -4.711 2.282 1.00 0.00 H new ATOM 1477 N LEU A 93 14.003 -1.150 5.657 1.00 0.00 N ATOM 1478 CA LEU A 93 14.320 0.250 5.379 1.00 0.00 C ATOM 1479 C LEU A 93 14.338 1.081 6.660 1.00 0.00 C ATOM 1480 O LEU A 93 15.010 2.110 6.739 1.00 0.00 O ATOM 1481 CB LEU A 93 13.298 0.835 4.398 1.00 0.00 C ATOM 1482 CG LEU A 93 13.597 2.250 3.899 1.00 0.00 C ATOM 1483 CD1 LEU A 93 14.859 2.262 3.051 1.00 0.00 C ATOM 1484 CD2 LEU A 93 12.416 2.799 3.109 1.00 0.00 C ATOM 0 H LEU A 93 13.135 -1.474 5.231 1.00 0.00 H new ATOM 0 HA LEU A 93 15.315 0.286 4.935 1.00 0.00 H new ATOM 0 HB2 LEU A 93 13.228 0.172 3.536 1.00 0.00 H new ATOM 0 HB3 LEU A 93 12.320 0.837 4.879 1.00 0.00 H new ATOM 0 HG LEU A 93 13.759 2.892 4.765 1.00 0.00 H new ATOM 0 HD11 LEU A 93 15.055 3.277 2.705 1.00 0.00 H new ATOM 0 HD12 LEU A 93 15.702 1.913 3.648 1.00 0.00 H new ATOM 0 HD13 LEU A 93 14.726 1.605 2.191 1.00 0.00 H new ATOM 0 HD21 LEU A 93 12.647 3.806 2.762 1.00 0.00 H new ATOM 0 HD22 LEU A 93 12.221 2.155 2.251 1.00 0.00 H new ATOM 0 HD23 LEU A 93 11.533 2.829 3.748 1.00 0.00 H new ATOM 1496 N LEU A 94 13.615 0.622 7.669 1.00 0.00 N ATOM 1497 CA LEU A 94 13.524 1.349 8.927 1.00 0.00 C ATOM 1498 C LEU A 94 14.771 1.133 9.778 1.00 0.00 C ATOM 1499 O LEU A 94 14.929 1.756 10.828 1.00 0.00 O ATOM 1500 CB LEU A 94 12.260 0.951 9.697 1.00 0.00 C ATOM 1501 CG LEU A 94 10.996 1.745 9.337 1.00 0.00 C ATOM 1502 CD1 LEU A 94 10.652 1.591 7.862 1.00 0.00 C ATOM 1503 CD2 LEU A 94 9.826 1.300 10.203 1.00 0.00 C ATOM 0 H LEU A 94 13.084 -0.248 7.643 1.00 0.00 H new ATOM 0 HA LEU A 94 13.459 2.412 8.695 1.00 0.00 H new ATOM 0 HB2 LEU A 94 12.066 -0.107 9.523 1.00 0.00 H new ATOM 0 HB3 LEU A 94 12.452 1.069 10.764 1.00 0.00 H new ATOM 0 HG LEU A 94 11.195 2.799 9.529 1.00 0.00 H new ATOM 0 HD11 LEU A 94 9.753 2.164 7.636 1.00 0.00 H new ATOM 0 HD12 LEU A 94 11.479 1.960 7.255 1.00 0.00 H new ATOM 0 HD13 LEU A 94 10.478 0.539 7.637 1.00 0.00 H new ATOM 0 HD21 LEU A 94 8.937 1.872 9.936 1.00 0.00 H new ATOM 0 HD22 LEU A 94 9.637 0.239 10.041 1.00 0.00 H new ATOM 0 HD23 LEU A 94 10.065 1.470 11.253 1.00 0.00 H new ATOM 1515 N GLU A 95 15.665 0.262 9.317 1.00 0.00 N ATOM 1516 CA GLU A 95 16.940 0.050 9.987 1.00 0.00 C ATOM 1517 C GLU A 95 18.062 0.741 9.217 1.00 0.00 C ATOM 1518 O GLU A 95 19.193 0.258 9.173 1.00 0.00 O ATOM 1519 CB GLU A 95 17.244 -1.442 10.139 1.00 0.00 C ATOM 1520 CG GLU A 95 16.254 -2.177 11.025 1.00 0.00 C ATOM 1521 CD GLU A 95 16.816 -3.475 11.560 1.00 0.00 C ATOM 1522 OE1 GLU A 95 16.774 -4.494 10.843 1.00 0.00 O ATOM 1523 OE2 GLU A 95 17.327 -3.478 12.698 1.00 0.00 O ATOM 0 H GLU A 95 15.528 -0.307 8.482 1.00 0.00 H new ATOM 0 HA GLU A 95 16.873 0.484 10.985 1.00 0.00 H new ATOM 0 HB2 GLU A 95 17.250 -1.905 9.152 1.00 0.00 H new ATOM 0 HB3 GLU A 95 18.246 -1.560 10.552 1.00 0.00 H new ATOM 0 HG2 GLU A 95 15.970 -1.535 11.859 1.00 0.00 H new ATOM 0 HG3 GLU A 95 15.346 -2.383 10.458 1.00 0.00 H new ATOM 1530 N HIS A 96 17.732 1.888 8.627 1.00 0.00 N ATOM 1531 CA HIS A 96 18.709 2.713 7.910 1.00 0.00 C ATOM 1532 C HIS A 96 19.907 3.066 8.793 1.00 0.00 C ATOM 1533 O HIS A 96 21.008 3.291 8.296 1.00 0.00 O ATOM 1534 CB HIS A 96 18.054 3.991 7.363 1.00 0.00 C ATOM 1535 CG HIS A 96 17.259 4.771 8.374 1.00 0.00 C ATOM 1536 ND1 HIS A 96 17.656 5.990 8.870 1.00 0.00 N ATOM 1537 CD2 HIS A 96 16.071 4.502 8.962 1.00 0.00 C ATOM 1538 CE1 HIS A 96 16.751 6.434 9.721 1.00 0.00 C ATOM 1539 NE2 HIS A 96 15.777 5.547 9.794 1.00 0.00 N ATOM 0 H HIS A 96 16.787 2.272 8.631 1.00 0.00 H new ATOM 0 HA HIS A 96 19.075 2.122 7.070 1.00 0.00 H new ATOM 0 HB2 HIS A 96 18.832 4.637 6.956 1.00 0.00 H new ATOM 0 HB3 HIS A 96 17.399 3.721 6.535 1.00 0.00 H new ATOM 0 HD2 HIS A 96 15.465 3.622 8.803 1.00 0.00 H new ATOM 0 HE1 HIS A 96 16.799 7.365 10.266 1.00 0.00 H new ATOM 0 HE2 HIS A 96 14.943 5.627 10.375 1.00 0.00 H new ATOM 1548 N HIS A 97 19.689 3.124 10.099 1.00 0.00 N ATOM 1549 CA HIS A 97 20.786 3.252 11.043 1.00 0.00 C ATOM 1550 C HIS A 97 20.865 2.008 11.910 1.00 0.00 C ATOM 1551 O HIS A 97 20.468 2.016 13.077 1.00 0.00 O ATOM 1552 CB HIS A 97 20.658 4.503 11.915 1.00 0.00 C ATOM 1553 CG HIS A 97 21.331 5.707 11.329 1.00 0.00 C ATOM 1554 ND1 HIS A 97 22.699 5.885 11.339 1.00 0.00 N ATOM 1555 CD2 HIS A 97 20.820 6.793 10.705 1.00 0.00 C ATOM 1556 CE1 HIS A 97 22.997 7.026 10.751 1.00 0.00 C ATOM 1557 NE2 HIS A 97 21.875 7.596 10.358 1.00 0.00 N ATOM 0 H HIS A 97 18.764 3.084 10.527 1.00 0.00 H new ATOM 0 HA HIS A 97 21.706 3.357 10.468 1.00 0.00 H new ATOM 0 HB2 HIS A 97 19.602 4.724 12.067 1.00 0.00 H new ATOM 0 HB3 HIS A 97 21.086 4.298 12.896 1.00 0.00 H new ATOM 0 HD2 HIS A 97 19.775 6.990 10.516 1.00 0.00 H new ATOM 0 HE1 HIS A 97 23.991 7.426 10.614 1.00 0.00 H new ATOM 0 HE2 HIS A 97 21.804 8.491 9.874 1.00 0.00 H new ATOM 1566 N HIS A 98 21.333 0.924 11.311 1.00 0.00 N ATOM 1567 CA HIS A 98 21.508 -0.326 12.026 1.00 0.00 C ATOM 1568 C HIS A 98 22.764 -0.230 12.879 1.00 0.00 C ATOM 1569 O HIS A 98 22.688 -0.238 14.110 1.00 0.00 O ATOM 1570 CB HIS A 98 21.604 -1.495 11.034 1.00 0.00 C ATOM 1571 CG HIS A 98 21.491 -2.850 11.661 1.00 0.00 C ATOM 1572 ND1 HIS A 98 22.568 -3.690 11.852 1.00 0.00 N ATOM 1573 CD2 HIS A 98 20.406 -3.526 12.111 1.00 0.00 C ATOM 1574 CE1 HIS A 98 22.149 -4.821 12.389 1.00 0.00 C ATOM 1575 NE2 HIS A 98 20.845 -4.746 12.558 1.00 0.00 N ATOM 0 H HIS A 98 21.599 0.887 10.327 1.00 0.00 H new ATOM 0 HA HIS A 98 20.650 -0.509 12.672 1.00 0.00 H new ATOM 0 HB2 HIS A 98 20.818 -1.387 10.287 1.00 0.00 H new ATOM 0 HB3 HIS A 98 22.556 -1.431 10.506 1.00 0.00 H new ATOM 0 HD2 HIS A 98 19.386 -3.170 12.117 1.00 0.00 H new ATOM 0 HE1 HIS A 98 22.771 -5.666 12.646 1.00 0.00 H new ATOM 0 HE2 HIS A 98 20.256 -5.477 12.957 1.00 0.00 H new ATOM 1584 N HIS A 99 23.911 -0.122 12.203 1.00 0.00 N ATOM 1585 CA HIS A 99 25.218 0.100 12.837 1.00 0.00 C ATOM 1586 C HIS A 99 25.698 -1.123 13.619 1.00 0.00 C ATOM 1587 O HIS A 99 26.813 -1.596 13.409 1.00 0.00 O ATOM 1588 CB HIS A 99 25.192 1.334 13.748 1.00 0.00 C ATOM 1589 CG HIS A 99 26.558 1.808 14.148 1.00 0.00 C ATOM 1590 ND1 HIS A 99 27.252 2.774 13.456 1.00 0.00 N ATOM 1591 CD2 HIS A 99 27.367 1.430 15.167 1.00 0.00 C ATOM 1592 CE1 HIS A 99 28.423 2.969 14.028 1.00 0.00 C ATOM 1593 NE2 HIS A 99 28.522 2.165 15.070 1.00 0.00 N ATOM 0 H HIS A 99 23.961 -0.187 11.186 1.00 0.00 H new ATOM 0 HA HIS A 99 25.928 0.276 12.029 1.00 0.00 H new ATOM 0 HB2 HIS A 99 24.670 2.143 13.237 1.00 0.00 H new ATOM 0 HB3 HIS A 99 24.619 1.102 14.646 1.00 0.00 H new ATOM 0 HD2 HIS A 99 27.144 0.687 15.918 1.00 0.00 H new ATOM 0 HE1 HIS A 99 29.176 3.670 13.699 1.00 0.00 H new ATOM 0 HE2 HIS A 99 29.323 2.101 15.698 1.00 0.00 H new ATOM 1602 N HIS A 100 24.863 -1.615 14.525 1.00 0.00 N ATOM 1603 CA HIS A 100 25.192 -2.774 15.345 1.00 0.00 C ATOM 1604 C HIS A 100 25.580 -3.952 14.460 1.00 0.00 C ATOM 1605 O HIS A 100 24.885 -4.261 13.492 1.00 0.00 O ATOM 1606 CB HIS A 100 23.991 -3.148 16.227 1.00 0.00 C ATOM 1607 CG HIS A 100 24.269 -4.241 17.218 1.00 0.00 C ATOM 1608 ND1 HIS A 100 24.494 -4.000 18.553 1.00 0.00 N ATOM 1609 CD2 HIS A 100 24.354 -5.584 17.061 1.00 0.00 C ATOM 1610 CE1 HIS A 100 24.709 -5.143 19.175 1.00 0.00 C ATOM 1611 NE2 HIS A 100 24.629 -6.121 18.294 1.00 0.00 N ATOM 0 H HIS A 100 23.940 -1.223 14.712 1.00 0.00 H new ATOM 0 HA HIS A 100 26.038 -2.525 15.985 1.00 0.00 H new ATOM 0 HB2 HIS A 100 23.661 -2.260 16.766 1.00 0.00 H new ATOM 0 HB3 HIS A 100 23.166 -3.457 15.585 1.00 0.00 H new ATOM 0 HD2 HIS A 100 24.229 -6.130 16.138 1.00 0.00 H new ATOM 0 HE1 HIS A 100 24.916 -5.259 20.229 1.00 0.00 H new ATOM 0 HE2 HIS A 100 24.751 -7.113 18.496 1.00 0.00 H new ATOM 1620 N HIS A 101 26.687 -4.596 14.785 1.00 0.00 N ATOM 1621 CA HIS A 101 27.151 -5.736 14.013 1.00 0.00 C ATOM 1622 C HIS A 101 26.806 -7.027 14.740 1.00 0.00 C ATOM 1623 O HIS A 101 27.572 -7.425 15.642 1.00 0.00 O ATOM 1624 CB HIS A 101 28.661 -5.641 13.778 1.00 0.00 C ATOM 1625 CG HIS A 101 29.192 -6.711 12.877 1.00 0.00 C ATOM 1626 ND1 HIS A 101 29.787 -7.860 13.344 1.00 0.00 N ATOM 1627 CD2 HIS A 101 29.211 -6.801 11.528 1.00 0.00 C ATOM 1628 CE1 HIS A 101 30.149 -8.610 12.323 1.00 0.00 C ATOM 1629 NE2 HIS A 101 29.811 -7.990 11.213 1.00 0.00 N ATOM 1630 OXT HIS A 101 25.763 -7.628 14.419 1.00 0.00 O ATOM 0 H HIS A 101 27.281 -4.350 15.577 1.00 0.00 H new ATOM 0 HA HIS A 101 26.653 -5.734 13.044 1.00 0.00 H new ATOM 0 HB2 HIS A 101 28.893 -4.667 13.348 1.00 0.00 H new ATOM 0 HB3 HIS A 101 29.175 -5.697 14.738 1.00 0.00 H new ATOM 0 HD2 HIS A 101 28.825 -6.072 10.831 1.00 0.00 H new ATOM 0 HE1 HIS A 101 30.640 -9.570 12.387 1.00 0.00 H new ATOM 0 HE2 HIS A 101 29.971 -8.340 10.268 1.00 0.00 H new TER 1639 HIS A 101