USER MOD reduce.3.24.130724 H: found=0, std=0, add=846, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 847 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 22 ASN : amide:sc= 0.579 K(o=1.3,f=0.094) USER MOD Set 1.2: A 109 SER OG : rot -6:sc= 0.688 USER MOD Set 2.1: A 107 THR OG1 : rot -137:sc= 0.85 USER MOD Set 2.2: A 112 HIS :FLIP no HD1:sc= -3.86! C(o=-4.9!,f=-3!) USER MOD Set 3.1: A 12 HIS : no HD1:sc= -1.08 K(o=-0.15,f=-10!) USER MOD Set 3.2: A 68 CYS SG : rot 140:sc= 0.865 USER MOD Set 3.3: A 70 SER OG : rot 160:sc= 0.0597 USER MOD Single : A 7 LYS NZ :NH3+ -165:sc= 1.24 (180deg=1.17) USER MOD Single : A 16 LYS NZ :NH3+ 153:sc= 1.27 (180deg=0.62) USER MOD Single : A 18 SER OG : rot -83:sc= 1.04 USER MOD Single : A 20 SER OG : rot -65:sc= 1.64 USER MOD Single : A 25 SER OG : rot 180:sc= 0.272 USER MOD Single : A 28 THR OG1 : rot -164:sc= 0.479 USER MOD Single : A 31 SER OG : rot -88:sc= 1.23 USER MOD Single : A 32 THR OG1 : rot -154:sc= -1.12! USER MOD Single : A 36 THR OG1 : rot -84:sc= 1.37 USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 GLN :FLIP amide:sc= -0.0516 F(o=-2.4!,f=-0.052) USER MOD Single : A 46 LYS NZ :NH3+ -166:sc= -0.0409 (180deg=-0.286) USER MOD Single : A 48 SER OG : rot 170:sc= -0.098 USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 53 SER OG : rot -79:sc= 0.225 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot 85:sc= 1.02 USER MOD Single : A 64 GLN : amide:sc= 1.13 K(o=1.1,f=-0.17) USER MOD Single : A 66 SER OG : rot -39:sc= 1.25 USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot 180:sc=-0.00985 USER MOD Single : A 81 SER OG : rot -83:sc= 1.1 USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 85 MET CE :methyl -155:sc= -2.57 (180deg=-3.24!) USER MOD Single : A 86 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 87 LYS NZ :NH3+ 168:sc= -0.0527 (180deg=-0.297) USER MOD Single : A 97 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0157) USER MOD Single : A 102 SER OG : rot 80:sc= -0.997! USER MOD Single : A 106 GLN :FLIP amide:sc=-0.00535 F(o=-0.89,f=-0.0053) USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 46 N LYS A 7 -18.701 -4.953 -2.726 1.00 0.57 N ATOM 47 CA LYS A 7 -17.706 -4.505 -3.687 1.00 0.51 C ATOM 48 C LYS A 7 -17.181 -3.129 -3.313 1.00 0.42 C ATOM 49 O LYS A 7 -17.842 -2.109 -3.522 1.00 0.60 O ATOM 50 CB LYS A 7 -18.286 -4.483 -5.095 1.00 0.64 C ATOM 51 CG LYS A 7 -18.603 -5.864 -5.645 1.00 0.92 C ATOM 52 CD LYS A 7 -17.347 -6.604 -6.080 1.00 0.87 C ATOM 53 CE LYS A 7 -17.676 -8.007 -6.568 1.00 1.10 C ATOM 54 NZ LYS A 7 -16.482 -8.720 -7.096 1.00 1.19 N ATOM 0 HA LYS A 7 -16.876 -5.211 -3.667 1.00 0.51 H new ATOM 0 HB2 LYS A 7 -19.196 -3.884 -5.094 1.00 0.64 H new ATOM 0 HB3 LYS A 7 -17.580 -3.989 -5.762 1.00 0.64 H new ATOM 0 HG2 LYS A 7 -19.123 -6.447 -4.885 1.00 0.92 H new ATOM 0 HG3 LYS A 7 -19.281 -5.770 -6.493 1.00 0.92 H new ATOM 0 HD2 LYS A 7 -16.850 -6.047 -6.874 1.00 0.87 H new ATOM 0 HD3 LYS A 7 -16.648 -6.661 -5.246 1.00 0.87 H new ATOM 0 HE2 LYS A 7 -18.106 -8.582 -5.748 1.00 1.10 H new ATOM 0 HE3 LYS A 7 -18.435 -7.948 -7.348 1.00 1.10 H new ATOM 0 HZ1 LYS A 7 -16.787 -9.552 -7.641 1.00 1.19 H new ATOM 0 HZ2 LYS A 7 -15.941 -8.081 -7.713 1.00 1.19 H new ATOM 0 HZ3 LYS A 7 -15.882 -9.026 -6.304 1.00 1.19 H new ATOM 68 N LEU A 8 -15.987 -3.128 -2.766 1.00 0.33 N ATOM 69 CA LEU A 8 -15.362 -1.933 -2.244 1.00 0.26 C ATOM 70 C LEU A 8 -14.291 -1.438 -3.215 1.00 0.22 C ATOM 71 O LEU A 8 -14.004 -2.090 -4.223 1.00 0.22 O ATOM 72 CB LEU A 8 -14.741 -2.261 -0.888 1.00 0.25 C ATOM 73 CG LEU A 8 -14.583 -1.089 0.081 1.00 0.33 C ATOM 74 CD1 LEU A 8 -15.940 -0.575 0.523 1.00 1.18 C ATOM 75 CD2 LEU A 8 -13.763 -1.512 1.287 1.00 0.81 C ATOM 0 H LEU A 8 -15.415 -3.967 -2.670 1.00 0.33 H new ATOM 0 HA LEU A 8 -16.105 -1.144 -2.125 1.00 0.26 H new ATOM 0 HB2 LEU A 8 -15.352 -3.024 -0.406 1.00 0.25 H new ATOM 0 HB3 LEU A 8 -13.758 -2.700 -1.058 1.00 0.25 H new ATOM 0 HG LEU A 8 -14.061 -0.283 -0.434 1.00 0.33 H new ATOM 0 HD11 LEU A 8 -15.806 0.259 1.212 1.00 1.18 H new ATOM 0 HD12 LEU A 8 -16.503 -0.239 -0.348 1.00 1.18 H new ATOM 0 HD13 LEU A 8 -16.487 -1.375 1.023 1.00 1.18 H new ATOM 0 HD21 LEU A 8 -13.658 -0.669 1.969 1.00 0.81 H new ATOM 0 HD22 LEU A 8 -14.266 -2.333 1.799 1.00 0.81 H new ATOM 0 HD23 LEU A 8 -12.776 -1.839 0.959 1.00 0.81 H new ATOM 87 N ARG A 9 -13.707 -0.295 -2.902 1.00 0.24 N ATOM 88 CA ARG A 9 -12.632 0.274 -3.696 1.00 0.23 C ATOM 89 C ARG A 9 -11.656 1.001 -2.785 1.00 0.20 C ATOM 90 O ARG A 9 -12.069 1.776 -1.919 1.00 0.21 O ATOM 91 CB ARG A 9 -13.167 1.249 -4.744 1.00 0.25 C ATOM 92 CG ARG A 9 -12.061 1.973 -5.491 1.00 0.26 C ATOM 93 CD ARG A 9 -12.601 3.052 -6.409 1.00 0.34 C ATOM 94 NE ARG A 9 -11.545 3.973 -6.827 1.00 0.49 N ATOM 95 CZ ARG A 9 -11.764 5.195 -7.303 1.00 0.81 C ATOM 96 NH1 ARG A 9 -13.002 5.654 -7.448 1.00 1.06 N ATOM 97 NH2 ARG A 9 -10.732 5.960 -7.631 1.00 0.98 N ATOM 0 H ARG A 9 -13.965 0.265 -2.090 1.00 0.24 H new ATOM 0 HA ARG A 9 -12.127 -0.542 -4.214 1.00 0.23 H new ATOM 0 HB2 ARG A 9 -13.786 0.705 -5.458 1.00 0.25 H new ATOM 0 HB3 ARG A 9 -13.811 1.982 -4.257 1.00 0.25 H new ATOM 0 HG2 ARG A 9 -11.373 2.420 -4.774 1.00 0.26 H new ATOM 0 HG3 ARG A 9 -11.489 1.253 -6.076 1.00 0.26 H new ATOM 0 HD2 ARG A 9 -13.054 2.592 -7.287 1.00 0.34 H new ATOM 0 HD3 ARG A 9 -13.388 3.606 -5.898 1.00 0.34 H new ATOM 0 HE ARG A 9 -10.578 3.658 -6.748 1.00 0.49 H new ATOM 0 HH11 ARG A 9 -13.797 5.067 -7.193 1.00 1.06 H new ATOM 0 HH12 ARG A 9 -13.158 6.593 -7.814 1.00 1.06 H new ATOM 0 HH21 ARG A 9 -9.781 5.610 -7.517 1.00 0.98 H new ATOM 0 HH22 ARG A 9 -10.889 6.899 -7.997 1.00 0.98 H new ATOM 111 N ALA A 10 -10.371 0.746 -2.968 1.00 0.20 N ATOM 112 CA ALA A 10 -9.357 1.372 -2.141 1.00 0.17 C ATOM 113 C ALA A 10 -8.053 1.573 -2.904 1.00 0.16 C ATOM 114 O ALA A 10 -7.762 0.858 -3.866 1.00 0.17 O ATOM 115 CB ALA A 10 -9.120 0.528 -0.900 1.00 0.22 C ATOM 0 H ALA A 10 -10.008 0.112 -3.680 1.00 0.20 H new ATOM 0 HA ALA A 10 -9.717 2.358 -1.848 1.00 0.17 H new ATOM 0 HB1 ALA A 10 -8.358 0.999 -0.279 1.00 0.22 H new ATOM 0 HB2 ALA A 10 -10.048 0.444 -0.334 1.00 0.22 H new ATOM 0 HB3 ALA A 10 -8.784 -0.466 -1.195 1.00 0.22 H new ATOM 121 N ALA A 11 -7.282 2.558 -2.467 1.00 0.17 N ATOM 122 CA ALA A 11 -5.966 2.815 -3.023 1.00 0.18 C ATOM 123 C ALA A 11 -4.916 2.262 -2.079 1.00 0.17 C ATOM 124 O ALA A 11 -4.971 2.503 -0.875 1.00 0.19 O ATOM 125 CB ALA A 11 -5.747 4.306 -3.252 1.00 0.20 C ATOM 0 H ALA A 11 -7.552 3.198 -1.720 1.00 0.17 H new ATOM 0 HA ALA A 11 -5.886 2.321 -3.991 1.00 0.18 H new ATOM 0 HB1 ALA A 11 -4.753 4.468 -3.669 1.00 0.20 H new ATOM 0 HB2 ALA A 11 -6.498 4.681 -3.947 1.00 0.20 H new ATOM 0 HB3 ALA A 11 -5.833 4.836 -2.304 1.00 0.20 H new ATOM 131 N HIS A 12 -3.967 1.522 -2.617 1.00 0.16 N ATOM 132 CA HIS A 12 -3.014 0.804 -1.784 1.00 0.16 C ATOM 133 C HIS A 12 -1.582 1.000 -2.268 1.00 0.15 C ATOM 134 O HIS A 12 -1.327 1.112 -3.468 1.00 0.19 O ATOM 135 CB HIS A 12 -3.355 -0.691 -1.746 1.00 0.17 C ATOM 136 CG HIS A 12 -3.002 -1.446 -2.996 1.00 0.15 C ATOM 137 ND1 HIS A 12 -3.680 -1.307 -4.185 1.00 0.23 N ATOM 138 CD2 HIS A 12 -2.027 -2.356 -3.230 1.00 0.22 C ATOM 139 CE1 HIS A 12 -3.135 -2.098 -5.089 1.00 0.23 C ATOM 140 NE2 HIS A 12 -2.134 -2.747 -4.537 1.00 0.21 N ATOM 0 H HIS A 12 -3.833 1.400 -3.621 1.00 0.16 H new ATOM 0 HA HIS A 12 -3.087 1.215 -0.777 1.00 0.16 H new ATOM 0 HB2 HIS A 12 -2.836 -1.147 -0.903 1.00 0.17 H new ATOM 0 HB3 HIS A 12 -4.423 -0.802 -1.560 1.00 0.17 H new ATOM 0 HD2 HIS A 12 -1.298 -2.709 -2.516 1.00 0.22 H new ATOM 0 HE1 HIS A 12 -3.458 -2.196 -6.115 1.00 0.23 H new ATOM 0 HE2 HIS A 12 -1.537 -3.429 -5.005 1.00 0.21 H new ATOM 149 N LEU A 13 -0.657 1.019 -1.326 1.00 0.15 N ATOM 150 CA LEU A 13 0.756 1.142 -1.639 1.00 0.14 C ATOM 151 C LEU A 13 1.469 -0.120 -1.161 1.00 0.16 C ATOM 152 O LEU A 13 1.078 -0.708 -0.153 1.00 0.24 O ATOM 153 CB LEU A 13 1.333 2.407 -0.977 1.00 0.15 C ATOM 154 CG LEU A 13 2.650 2.941 -1.562 1.00 0.15 C ATOM 155 CD1 LEU A 13 2.824 4.412 -1.221 1.00 0.16 C ATOM 156 CD2 LEU A 13 3.843 2.156 -1.046 1.00 0.18 C ATOM 0 H LEU A 13 -0.861 0.950 -0.329 1.00 0.15 H new ATOM 0 HA LEU A 13 0.903 1.243 -2.714 1.00 0.14 H new ATOM 0 HB2 LEU A 13 0.585 3.198 -1.040 1.00 0.15 H new ATOM 0 HB3 LEU A 13 1.488 2.199 0.082 1.00 0.15 H new ATOM 0 HG LEU A 13 2.601 2.823 -2.644 1.00 0.15 H new ATOM 0 HD11 LEU A 13 3.761 4.775 -1.643 1.00 0.16 H new ATOM 0 HD12 LEU A 13 1.994 4.983 -1.637 1.00 0.16 H new ATOM 0 HD13 LEU A 13 2.842 4.535 -0.138 1.00 0.16 H new ATOM 0 HD21 LEU A 13 4.759 2.559 -1.479 1.00 0.18 H new ATOM 0 HD22 LEU A 13 3.889 2.236 0.040 1.00 0.18 H new ATOM 0 HD23 LEU A 13 3.739 1.108 -1.328 1.00 0.18 H new ATOM 168 N LEU A 14 2.477 -0.553 -1.903 1.00 0.13 N ATOM 169 CA LEU A 14 3.199 -1.776 -1.582 1.00 0.14 C ATOM 170 C LEU A 14 4.700 -1.535 -1.605 1.00 0.16 C ATOM 171 O LEU A 14 5.256 -1.150 -2.629 1.00 0.27 O ATOM 172 CB LEU A 14 2.830 -2.877 -2.585 1.00 0.16 C ATOM 173 CG LEU A 14 3.702 -4.141 -2.555 1.00 0.20 C ATOM 174 CD1 LEU A 14 3.710 -4.781 -1.173 1.00 0.18 C ATOM 175 CD2 LEU A 14 3.209 -5.135 -3.597 1.00 0.27 C ATOM 0 H LEU A 14 2.816 -0.073 -2.737 1.00 0.13 H new ATOM 0 HA LEU A 14 2.916 -2.093 -0.578 1.00 0.14 H new ATOM 0 HB2 LEU A 14 1.795 -3.170 -2.407 1.00 0.16 H new ATOM 0 HB3 LEU A 14 2.873 -2.455 -3.589 1.00 0.16 H new ATOM 0 HG LEU A 14 4.726 -3.852 -2.790 1.00 0.20 H new ATOM 0 HD11 LEU A 14 4.337 -5.673 -1.189 1.00 0.18 H new ATOM 0 HD12 LEU A 14 4.106 -4.072 -0.446 1.00 0.18 H new ATOM 0 HD13 LEU A 14 2.693 -5.057 -0.894 1.00 0.18 H new ATOM 0 HD21 LEU A 14 3.832 -6.029 -3.570 1.00 0.27 H new ATOM 0 HD22 LEU A 14 2.176 -5.406 -3.381 1.00 0.27 H new ATOM 0 HD23 LEU A 14 3.266 -4.683 -4.587 1.00 0.27 H new ATOM 187 N VAL A 15 5.346 -1.761 -0.474 1.00 0.13 N ATOM 188 CA VAL A 15 6.791 -1.634 -0.387 1.00 0.13 C ATOM 189 C VAL A 15 7.424 -3.016 -0.265 1.00 0.13 C ATOM 190 O VAL A 15 7.003 -3.831 0.560 1.00 0.15 O ATOM 191 CB VAL A 15 7.228 -0.759 0.813 1.00 0.13 C ATOM 192 CG1 VAL A 15 8.743 -0.615 0.852 1.00 0.13 C ATOM 193 CG2 VAL A 15 6.570 0.610 0.753 1.00 0.15 C ATOM 0 H VAL A 15 4.892 -2.034 0.398 1.00 0.13 H new ATOM 0 HA VAL A 15 7.131 -1.143 -1.299 1.00 0.13 H new ATOM 0 HB VAL A 15 6.904 -1.257 1.727 1.00 0.13 H new ATOM 0 HG11 VAL A 15 9.028 0.004 1.703 1.00 0.13 H new ATOM 0 HG12 VAL A 15 9.200 -1.600 0.950 1.00 0.13 H new ATOM 0 HG13 VAL A 15 9.088 -0.146 -0.069 1.00 0.13 H new ATOM 0 HG21 VAL A 15 6.892 1.206 1.606 1.00 0.15 H new ATOM 0 HG22 VAL A 15 6.859 1.112 -0.170 1.00 0.15 H new ATOM 0 HG23 VAL A 15 5.486 0.494 0.780 1.00 0.15 H new ATOM 203 N LYS A 16 8.409 -3.281 -1.107 1.00 0.15 N ATOM 204 CA LYS A 16 9.122 -4.548 -1.085 1.00 0.17 C ATOM 205 C LYS A 16 10.504 -4.357 -0.482 1.00 0.16 C ATOM 206 O LYS A 16 11.103 -3.287 -0.610 1.00 0.24 O ATOM 207 CB LYS A 16 9.241 -5.121 -2.498 1.00 0.23 C ATOM 208 CG LYS A 16 7.925 -5.608 -3.079 1.00 0.26 C ATOM 209 CD LYS A 16 7.462 -6.894 -2.414 1.00 0.37 C ATOM 210 CE LYS A 16 6.133 -7.371 -2.979 1.00 0.48 C ATOM 211 NZ LYS A 16 6.182 -7.569 -4.453 1.00 0.62 N ATOM 0 H LYS A 16 8.735 -2.629 -1.820 1.00 0.15 H new ATOM 0 HA LYS A 16 8.560 -5.252 -0.471 1.00 0.17 H new ATOM 0 HB2 LYS A 16 9.656 -4.357 -3.155 1.00 0.23 H new ATOM 0 HB3 LYS A 16 9.949 -5.949 -2.485 1.00 0.23 H new ATOM 0 HG2 LYS A 16 7.164 -4.838 -2.953 1.00 0.26 H new ATOM 0 HG3 LYS A 16 8.038 -5.772 -4.151 1.00 0.26 H new ATOM 0 HD2 LYS A 16 8.216 -7.668 -2.554 1.00 0.37 H new ATOM 0 HD3 LYS A 16 7.365 -6.734 -1.340 1.00 0.37 H new ATOM 0 HE2 LYS A 16 5.852 -8.308 -2.498 1.00 0.48 H new ATOM 0 HE3 LYS A 16 5.357 -6.644 -2.738 1.00 0.48 H new ATOM 0 HZ1 LYS A 16 5.482 -8.286 -4.730 1.00 0.62 H new ATOM 0 HZ2 LYS A 16 5.966 -6.671 -4.931 1.00 0.62 H new ATOM 0 HZ3 LYS A 16 7.133 -7.888 -4.729 1.00 0.62 H new ATOM 225 N PHE A 17 11.013 -5.395 0.157 1.00 0.17 N ATOM 226 CA PHE A 17 12.293 -5.315 0.842 1.00 0.17 C ATOM 227 C PHE A 17 13.037 -6.640 0.757 1.00 0.19 C ATOM 228 O PHE A 17 12.457 -7.664 0.400 1.00 0.21 O ATOM 229 CB PHE A 17 12.102 -4.888 2.300 1.00 0.17 C ATOM 230 CG PHE A 17 11.177 -5.758 3.109 1.00 0.17 C ATOM 231 CD1 PHE A 17 11.644 -6.905 3.732 1.00 0.19 C ATOM 232 CD2 PHE A 17 9.845 -5.409 3.271 1.00 0.20 C ATOM 233 CE1 PHE A 17 10.799 -7.690 4.495 1.00 0.23 C ATOM 234 CE2 PHE A 17 8.999 -6.186 4.038 1.00 0.23 C ATOM 235 CZ PHE A 17 9.475 -7.327 4.650 1.00 0.25 C ATOM 0 H PHE A 17 10.559 -6.306 0.217 1.00 0.17 H new ATOM 0 HA PHE A 17 12.898 -4.557 0.344 1.00 0.17 H new ATOM 0 HB2 PHE A 17 13.077 -4.871 2.787 1.00 0.17 H new ATOM 0 HB3 PHE A 17 11.720 -3.867 2.315 1.00 0.17 H new ATOM 0 HD1 PHE A 17 12.680 -7.189 3.620 1.00 0.19 H new ATOM 0 HD2 PHE A 17 9.464 -4.519 2.792 1.00 0.20 H new ATOM 0 HE1 PHE A 17 11.173 -8.585 4.969 1.00 0.23 H new ATOM 0 HE2 PHE A 17 7.965 -5.900 4.159 1.00 0.23 H new ATOM 0 HZ PHE A 17 8.814 -7.935 5.249 1.00 0.25 H new ATOM 245 N SER A 18 14.330 -6.596 1.017 1.00 0.22 N ATOM 246 CA SER A 18 15.156 -7.792 1.031 1.00 0.26 C ATOM 247 C SER A 18 14.549 -8.871 1.930 1.00 0.30 C ATOM 248 O SER A 18 14.451 -8.699 3.146 1.00 0.30 O ATOM 249 CB SER A 18 16.568 -7.433 1.503 1.00 0.29 C ATOM 250 OG SER A 18 16.540 -6.738 2.738 1.00 1.04 O ATOM 0 H SER A 18 14.837 -5.735 1.224 1.00 0.22 H new ATOM 0 HA SER A 18 15.205 -8.194 0.019 1.00 0.26 H new ATOM 0 HB2 SER A 18 17.160 -8.342 1.609 1.00 0.29 H new ATOM 0 HB3 SER A 18 17.060 -6.818 0.749 1.00 0.29 H new ATOM 0 HG SER A 18 16.367 -5.787 2.575 1.00 1.04 H new ATOM 256 N GLY A 19 14.114 -9.967 1.322 1.00 0.35 N ATOM 257 CA GLY A 19 13.552 -11.060 2.087 1.00 0.45 C ATOM 258 C GLY A 19 12.036 -11.021 2.177 1.00 0.42 C ATOM 259 O GLY A 19 11.440 -11.808 2.912 1.00 0.53 O ATOM 0 H GLY A 19 14.141 -10.117 0.314 1.00 0.35 H new ATOM 0 HA2 GLY A 19 13.857 -12.004 1.635 1.00 0.45 H new ATOM 0 HA3 GLY A 19 13.968 -11.040 3.094 1.00 0.45 H new ATOM 263 N SER A 20 11.404 -10.127 1.423 1.00 0.34 N ATOM 264 CA SER A 20 9.958 -9.970 1.472 1.00 0.41 C ATOM 265 C SER A 20 9.272 -10.940 0.515 1.00 0.40 C ATOM 266 O SER A 20 8.241 -10.612 -0.077 1.00 0.45 O ATOM 267 CB SER A 20 9.581 -8.529 1.121 1.00 0.51 C ATOM 268 OG SER A 20 10.021 -8.181 -0.182 1.00 0.70 O ATOM 0 H SER A 20 11.874 -9.500 0.770 1.00 0.34 H new ATOM 0 HA SER A 20 9.620 -10.195 2.484 1.00 0.41 H new ATOM 0 HB2 SER A 20 8.500 -8.408 1.186 1.00 0.51 H new ATOM 0 HB3 SER A 20 10.022 -7.848 1.849 1.00 0.51 H new ATOM 0 HG SER A 20 11.001 -8.191 -0.210 1.00 0.70 H new ATOM 274 N ARG A 21 9.867 -12.124 0.353 1.00 0.43 N ATOM 275 CA ARG A 21 9.383 -13.146 -0.581 1.00 0.49 C ATOM 276 C ARG A 21 9.634 -12.729 -2.035 1.00 0.51 C ATOM 277 O ARG A 21 9.933 -13.564 -2.888 1.00 0.60 O ATOM 278 CB ARG A 21 7.895 -13.446 -0.342 1.00 0.58 C ATOM 279 CG ARG A 21 7.298 -14.458 -1.306 1.00 1.25 C ATOM 280 CD ARG A 21 5.857 -14.773 -0.946 1.00 1.25 C ATOM 281 NE ARG A 21 5.213 -15.616 -1.952 1.00 2.28 N ATOM 282 CZ ARG A 21 4.093 -16.310 -1.745 1.00 2.47 C ATOM 283 NH1 ARG A 21 3.512 -16.303 -0.552 1.00 1.89 N ATOM 284 NH2 ARG A 21 3.563 -17.025 -2.731 1.00 3.49 N ATOM 0 H ARG A 21 10.702 -12.403 0.868 1.00 0.43 H new ATOM 0 HA ARG A 21 9.945 -14.062 -0.396 1.00 0.49 H new ATOM 0 HB2 ARG A 21 7.770 -13.814 0.676 1.00 0.58 H new ATOM 0 HB3 ARG A 21 7.332 -12.515 -0.416 1.00 0.58 H new ATOM 0 HG2 ARG A 21 7.345 -14.068 -2.323 1.00 1.25 H new ATOM 0 HG3 ARG A 21 7.889 -15.374 -1.288 1.00 1.25 H new ATOM 0 HD2 ARG A 21 5.826 -15.275 0.021 1.00 1.25 H new ATOM 0 HD3 ARG A 21 5.298 -13.843 -0.840 1.00 1.25 H new ATOM 0 HE ARG A 21 5.649 -15.677 -2.872 1.00 2.28 H new ATOM 0 HH11 ARG A 21 3.922 -15.765 0.212 1.00 1.89 H new ATOM 0 HH12 ARG A 21 2.656 -16.835 -0.399 1.00 1.89 H new ATOM 0 HH21 ARG A 21 4.013 -17.043 -3.646 1.00 3.49 H new ATOM 0 HH22 ARG A 21 2.706 -17.556 -2.573 1.00 3.49 H new ATOM 298 N ASN A 22 9.531 -11.434 -2.305 1.00 0.51 N ATOM 299 CA ASN A 22 9.808 -10.888 -3.625 1.00 0.62 C ATOM 300 C ASN A 22 10.690 -9.654 -3.483 1.00 0.58 C ATOM 301 O ASN A 22 10.187 -8.545 -3.306 1.00 0.64 O ATOM 302 CB ASN A 22 8.511 -10.501 -4.347 1.00 0.87 C ATOM 303 CG ASN A 22 7.508 -11.633 -4.441 1.00 0.93 C ATOM 304 OD1 ASN A 22 7.567 -12.456 -5.354 1.00 1.77 O ATOM 305 ND2 ASN A 22 6.562 -11.669 -3.512 1.00 0.80 N ATOM 0 H ASN A 22 9.254 -10.735 -1.616 1.00 0.51 H new ATOM 0 HA ASN A 22 10.316 -11.652 -4.214 1.00 0.62 H new ATOM 0 HB2 ASN A 22 8.051 -9.662 -3.825 1.00 0.87 H new ATOM 0 HB3 ASN A 22 8.753 -10.157 -5.353 1.00 0.87 H new ATOM 0 HD21 ASN A 22 5.849 -12.398 -3.538 1.00 0.80 H new ATOM 0 HD22 ASN A 22 6.548 -10.968 -2.771 1.00 0.80 H new ATOM 312 N PRO A 23 12.018 -9.823 -3.540 1.00 0.55 N ATOM 313 CA PRO A 23 12.952 -8.722 -3.337 1.00 0.61 C ATOM 314 C PRO A 23 13.128 -7.857 -4.586 1.00 0.79 C ATOM 315 O PRO A 23 14.240 -7.676 -5.076 1.00 1.71 O ATOM 316 CB PRO A 23 14.255 -9.434 -2.986 1.00 0.66 C ATOM 317 CG PRO A 23 14.176 -10.748 -3.691 1.00 0.73 C ATOM 318 CD PRO A 23 12.714 -11.094 -3.818 1.00 0.57 C ATOM 0 HA PRO A 23 12.605 -8.029 -2.571 1.00 0.61 H new ATOM 0 HB2 PRO A 23 15.121 -8.860 -3.316 1.00 0.66 H new ATOM 0 HB3 PRO A 23 14.354 -9.569 -1.909 1.00 0.66 H new ATOM 0 HG2 PRO A 23 14.644 -10.687 -4.673 1.00 0.73 H new ATOM 0 HG3 PRO A 23 14.707 -11.518 -3.132 1.00 0.73 H new ATOM 0 HD2 PRO A 23 12.478 -11.468 -4.814 1.00 0.57 H new ATOM 0 HD3 PRO A 23 12.425 -11.870 -3.109 1.00 0.57 H new ATOM 326 N VAL A 24 12.024 -7.308 -5.076 1.00 0.39 N ATOM 327 CA VAL A 24 12.024 -6.422 -6.239 1.00 0.36 C ATOM 328 C VAL A 24 10.980 -5.326 -6.042 1.00 0.32 C ATOM 329 O VAL A 24 9.802 -5.622 -5.886 1.00 0.35 O ATOM 330 CB VAL A 24 11.695 -7.172 -7.552 1.00 0.42 C ATOM 331 CG1 VAL A 24 11.772 -6.225 -8.742 1.00 0.43 C ATOM 332 CG2 VAL A 24 12.616 -8.367 -7.762 1.00 0.48 C ATOM 0 H VAL A 24 11.098 -7.464 -4.678 1.00 0.39 H new ATOM 0 HA VAL A 24 13.027 -6.005 -6.324 1.00 0.36 H new ATOM 0 HB VAL A 24 10.676 -7.550 -7.469 1.00 0.42 H new ATOM 0 HG11 VAL A 24 11.538 -6.770 -9.656 1.00 0.43 H new ATOM 0 HG12 VAL A 24 11.055 -5.414 -8.609 1.00 0.43 H new ATOM 0 HG13 VAL A 24 12.778 -5.812 -8.814 1.00 0.43 H new ATOM 0 HG21 VAL A 24 12.355 -8.868 -8.694 1.00 0.48 H new ATOM 0 HG22 VAL A 24 13.650 -8.025 -7.811 1.00 0.48 H new ATOM 0 HG23 VAL A 24 12.503 -9.064 -6.931 1.00 0.48 H new ATOM 342 N SER A 25 11.415 -4.073 -6.012 1.00 0.32 N ATOM 343 CA SER A 25 10.497 -2.950 -5.870 1.00 0.32 C ATOM 344 C SER A 25 10.330 -2.239 -7.209 1.00 0.32 C ATOM 345 O SER A 25 11.253 -2.230 -8.022 1.00 0.36 O ATOM 346 CB SER A 25 11.034 -1.973 -4.815 1.00 0.42 C ATOM 347 OG SER A 25 10.207 -0.826 -4.700 1.00 1.12 O ATOM 0 H SER A 25 12.397 -3.809 -6.084 1.00 0.32 H new ATOM 0 HA SER A 25 9.524 -3.321 -5.548 1.00 0.32 H new ATOM 0 HB2 SER A 25 11.096 -2.476 -3.850 1.00 0.42 H new ATOM 0 HB3 SER A 25 12.046 -1.668 -5.082 1.00 0.42 H new ATOM 0 HG SER A 25 10.575 -0.224 -4.019 1.00 1.12 H new ATOM 353 N ARG A 26 9.158 -1.637 -7.434 1.00 0.32 N ATOM 354 CA ARG A 26 8.944 -0.803 -8.620 1.00 0.34 C ATOM 355 C ARG A 26 9.817 0.446 -8.569 1.00 0.37 C ATOM 356 O ARG A 26 9.889 1.203 -9.537 1.00 0.44 O ATOM 357 CB ARG A 26 7.476 -0.403 -8.784 1.00 0.39 C ATOM 358 CG ARG A 26 6.596 -1.494 -9.386 1.00 0.52 C ATOM 359 CD ARG A 26 7.148 -2.019 -10.697 1.00 0.82 C ATOM 360 NE ARG A 26 8.058 -3.150 -10.496 1.00 1.21 N ATOM 361 CZ ARG A 26 9.004 -3.510 -11.364 1.00 1.88 C ATOM 362 NH1 ARG A 26 9.238 -2.770 -12.439 1.00 2.47 N ATOM 363 NH2 ARG A 26 9.723 -4.604 -11.148 1.00 2.54 N ATOM 0 H ARG A 26 8.350 -1.711 -6.816 1.00 0.32 H new ATOM 0 HA ARG A 26 9.227 -1.404 -9.484 1.00 0.34 H new ATOM 0 HB2 ARG A 26 7.075 -0.125 -7.809 1.00 0.39 H new ATOM 0 HB3 ARG A 26 7.421 0.483 -9.416 1.00 0.39 H new ATOM 0 HG2 ARG A 26 6.505 -2.317 -8.677 1.00 0.52 H new ATOM 0 HG3 ARG A 26 5.593 -1.100 -9.548 1.00 0.52 H new ATOM 0 HD2 ARG A 26 6.324 -2.327 -11.340 1.00 0.82 H new ATOM 0 HD3 ARG A 26 7.675 -1.218 -11.215 1.00 0.82 H new ATOM 0 HE ARG A 26 7.962 -3.695 -9.639 1.00 1.21 H new ATOM 0 HH11 ARG A 26 8.694 -1.923 -12.604 1.00 2.47 H new ATOM 0 HH12 ARG A 26 9.962 -3.048 -13.101 1.00 2.47 H new ATOM 0 HH21 ARG A 26 9.552 -5.171 -10.317 1.00 2.54 H new ATOM 0 HH22 ARG A 26 10.446 -4.878 -11.813 1.00 2.54 H new ATOM 377 N ARG A 27 10.468 0.661 -7.430 1.00 0.36 N ATOM 378 CA ARG A 27 11.458 1.721 -7.302 1.00 0.44 C ATOM 379 C ARG A 27 12.687 1.385 -8.123 1.00 0.53 C ATOM 380 O ARG A 27 13.168 2.189 -8.921 1.00 0.73 O ATOM 381 CB ARG A 27 11.903 1.904 -5.850 1.00 0.52 C ATOM 382 CG ARG A 27 10.977 2.737 -4.988 1.00 0.55 C ATOM 383 CD ARG A 27 11.692 3.166 -3.716 1.00 0.70 C ATOM 384 NE ARG A 27 12.920 3.900 -4.022 1.00 0.91 N ATOM 385 CZ ARG A 27 13.893 4.145 -3.146 1.00 1.12 C ATOM 386 NH1 ARG A 27 13.744 3.825 -1.868 1.00 1.77 N ATOM 387 NH2 ARG A 27 15.005 4.747 -3.547 1.00 1.63 N ATOM 0 H ARG A 27 10.326 0.113 -6.581 1.00 0.36 H new ATOM 0 HA ARG A 27 10.991 2.640 -7.656 1.00 0.44 H new ATOM 0 HB2 ARG A 27 12.010 0.920 -5.394 1.00 0.52 H new ATOM 0 HB3 ARG A 27 12.890 2.366 -5.846 1.00 0.52 H new ATOM 0 HG2 ARG A 27 10.644 3.615 -5.541 1.00 0.55 H new ATOM 0 HG3 ARG A 27 10.086 2.162 -4.737 1.00 0.55 H new ATOM 0 HD2 ARG A 27 11.030 3.792 -3.117 1.00 0.70 H new ATOM 0 HD3 ARG A 27 11.930 2.288 -3.115 1.00 0.70 H new ATOM 0 HE ARG A 27 13.039 4.249 -4.973 1.00 0.91 H new ATOM 0 HH11 ARG A 27 12.879 3.388 -1.549 1.00 1.77 H new ATOM 0 HH12 ARG A 27 14.494 4.016 -1.204 1.00 1.77 H new ATOM 0 HH21 ARG A 27 15.113 5.021 -4.524 1.00 1.63 H new ATOM 0 HH22 ARG A 27 15.752 4.936 -2.879 1.00 1.63 H new ATOM 401 N THR A 28 13.187 0.179 -7.918 1.00 0.45 N ATOM 402 CA THR A 28 14.441 -0.231 -8.507 1.00 0.53 C ATOM 403 C THR A 28 14.208 -0.969 -9.817 1.00 0.55 C ATOM 404 O THR A 28 15.007 -0.877 -10.747 1.00 0.67 O ATOM 405 CB THR A 28 15.214 -1.142 -7.534 1.00 0.55 C ATOM 406 OG1 THR A 28 14.528 -2.390 -7.378 1.00 0.55 O ATOM 407 CG2 THR A 28 15.332 -0.492 -6.166 1.00 0.53 C ATOM 0 H THR A 28 12.737 -0.534 -7.344 1.00 0.45 H new ATOM 0 HA THR A 28 15.028 0.665 -8.708 1.00 0.53 H new ATOM 0 HB THR A 28 16.208 -1.305 -7.950 1.00 0.55 H new ATOM 0 HG1 THR A 28 14.871 -2.855 -6.586 1.00 0.55 H new ATOM 0 HG21 THR A 28 15.881 -1.153 -5.495 1.00 0.53 H new ATOM 0 HG22 THR A 28 15.864 0.455 -6.258 1.00 0.53 H new ATOM 0 HG23 THR A 28 14.336 -0.311 -5.762 1.00 0.53 H new ATOM 415 N GLY A 29 13.103 -1.705 -9.878 1.00 0.47 N ATOM 416 CA GLY A 29 12.777 -2.477 -11.063 1.00 0.52 C ATOM 417 C GLY A 29 13.540 -3.786 -11.117 1.00 0.58 C ATOM 418 O GLY A 29 13.034 -4.794 -11.612 1.00 0.82 O ATOM 0 H GLY A 29 12.423 -1.781 -9.122 1.00 0.47 H new ATOM 0 HA2 GLY A 29 11.706 -2.681 -11.079 1.00 0.52 H new ATOM 0 HA3 GLY A 29 13.003 -1.889 -11.952 1.00 0.52 H new ATOM 422 N ASP A 30 14.755 -3.766 -10.585 1.00 0.53 N ATOM 423 CA ASP A 30 15.636 -4.924 -10.600 1.00 0.58 C ATOM 424 C ASP A 30 15.468 -5.745 -9.329 1.00 0.55 C ATOM 425 O ASP A 30 14.949 -6.856 -9.368 1.00 0.84 O ATOM 426 CB ASP A 30 17.091 -4.471 -10.751 1.00 0.67 C ATOM 427 CG ASP A 30 18.067 -5.629 -10.765 1.00 1.31 C ATOM 428 OD1 ASP A 30 18.318 -6.184 -11.852 1.00 1.69 O ATOM 429 OD2 ASP A 30 18.580 -5.998 -9.684 1.00 2.10 O ATOM 0 H ASP A 30 15.157 -2.946 -10.131 1.00 0.53 H new ATOM 0 HA ASP A 30 15.369 -5.553 -11.450 1.00 0.58 H new ATOM 0 HB2 ASP A 30 17.196 -3.902 -11.675 1.00 0.67 H new ATOM 0 HB3 ASP A 30 17.344 -3.798 -9.932 1.00 0.67 H new ATOM 434 N SER A 31 15.919 -5.200 -8.205 1.00 0.53 N ATOM 435 CA SER A 31 15.762 -5.861 -6.916 1.00 0.50 C ATOM 436 C SER A 31 15.771 -4.844 -5.777 1.00 0.42 C ATOM 437 O SER A 31 16.297 -3.745 -5.928 1.00 0.48 O ATOM 438 CB SER A 31 16.862 -6.907 -6.719 1.00 0.62 C ATOM 439 OG SER A 31 18.124 -6.407 -7.124 1.00 1.08 O ATOM 0 H SER A 31 16.397 -4.300 -8.161 1.00 0.53 H new ATOM 0 HA SER A 31 14.797 -6.367 -6.904 1.00 0.50 H new ATOM 0 HB2 SER A 31 16.904 -7.201 -5.670 1.00 0.62 H new ATOM 0 HB3 SER A 31 16.622 -7.803 -7.292 1.00 0.62 H new ATOM 0 HG SER A 31 18.251 -6.576 -8.081 1.00 1.08 H new ATOM 445 N THR A 32 15.159 -5.205 -4.655 1.00 0.34 N ATOM 446 CA THR A 32 15.133 -4.347 -3.471 1.00 0.29 C ATOM 447 C THR A 32 15.824 -5.066 -2.306 1.00 0.27 C ATOM 448 O THR A 32 15.453 -4.936 -1.140 1.00 0.28 O ATOM 449 CB THR A 32 13.678 -3.947 -3.109 1.00 0.27 C ATOM 450 OG1 THR A 32 13.639 -3.053 -2.000 1.00 0.27 O ATOM 451 CG2 THR A 32 12.831 -5.166 -2.803 1.00 0.29 C ATOM 0 H THR A 32 14.670 -6.092 -4.538 1.00 0.34 H new ATOM 0 HA THR A 32 15.675 -3.425 -3.683 1.00 0.29 H new ATOM 0 HB THR A 32 13.267 -3.439 -3.982 1.00 0.27 H new ATOM 0 HG1 THR A 32 12.778 -3.140 -1.540 1.00 0.27 H new ATOM 0 HG21 THR A 32 11.818 -4.852 -2.553 1.00 0.29 H new ATOM 0 HG22 THR A 32 12.804 -5.819 -3.676 1.00 0.29 H new ATOM 0 HG23 THR A 32 13.262 -5.706 -1.960 1.00 0.29 H new ATOM 459 N ALA A 33 16.851 -5.827 -2.656 1.00 0.31 N ATOM 460 CA ALA A 33 17.552 -6.687 -1.711 1.00 0.32 C ATOM 461 C ALA A 33 18.503 -5.910 -0.787 1.00 0.34 C ATOM 462 O ALA A 33 19.096 -6.486 0.128 1.00 0.37 O ATOM 463 CB ALA A 33 18.304 -7.763 -2.477 1.00 0.37 C ATOM 0 H ALA A 33 17.223 -5.866 -3.605 1.00 0.31 H new ATOM 0 HA ALA A 33 16.806 -7.144 -1.061 1.00 0.32 H new ATOM 0 HB1 ALA A 33 18.830 -8.409 -1.775 1.00 0.37 H new ATOM 0 HB2 ALA A 33 17.598 -8.357 -3.058 1.00 0.37 H new ATOM 0 HB3 ALA A 33 19.024 -7.296 -3.149 1.00 0.37 H new ATOM 469 N ASP A 34 18.653 -4.616 -1.020 1.00 0.35 N ATOM 470 CA ASP A 34 19.553 -3.795 -0.206 1.00 0.40 C ATOM 471 C ASP A 34 18.791 -3.111 0.923 1.00 0.36 C ATOM 472 O ASP A 34 19.362 -2.772 1.960 1.00 0.43 O ATOM 473 CB ASP A 34 20.267 -2.741 -1.059 1.00 0.49 C ATOM 474 CG ASP A 34 21.189 -3.351 -2.095 1.00 1.29 C ATOM 475 OD1 ASP A 34 22.351 -3.658 -1.757 1.00 1.31 O ATOM 476 OD2 ASP A 34 20.758 -3.528 -3.252 1.00 2.21 O ATOM 0 H ASP A 34 18.169 -4.108 -1.760 1.00 0.35 H new ATOM 0 HA ASP A 34 20.302 -4.461 0.223 1.00 0.40 H new ATOM 0 HB2 ASP A 34 19.524 -2.122 -1.561 1.00 0.49 H new ATOM 0 HB3 ASP A 34 20.843 -2.083 -0.408 1.00 0.49 H new ATOM 481 N VAL A 35 17.498 -2.924 0.718 1.00 0.31 N ATOM 482 CA VAL A 35 16.648 -2.286 1.712 1.00 0.28 C ATOM 483 C VAL A 35 15.956 -3.350 2.561 1.00 0.25 C ATOM 484 O VAL A 35 15.478 -4.357 2.039 1.00 0.25 O ATOM 485 CB VAL A 35 15.620 -1.317 1.051 1.00 0.27 C ATOM 486 CG1 VAL A 35 15.525 -1.554 -0.451 1.00 0.28 C ATOM 487 CG2 VAL A 35 14.244 -1.428 1.695 1.00 0.26 C ATOM 0 H VAL A 35 17.011 -3.206 -0.132 1.00 0.31 H new ATOM 0 HA VAL A 35 17.274 -1.677 2.365 1.00 0.28 H new ATOM 0 HB VAL A 35 15.986 -0.304 1.217 1.00 0.27 H new ATOM 0 HG11 VAL A 35 14.801 -0.864 -0.883 1.00 0.28 H new ATOM 0 HG12 VAL A 35 16.501 -1.389 -0.908 1.00 0.28 H new ATOM 0 HG13 VAL A 35 15.205 -2.579 -0.638 1.00 0.28 H new ATOM 0 HG21 VAL A 35 13.557 -0.737 1.206 1.00 0.26 H new ATOM 0 HG22 VAL A 35 13.873 -2.447 1.586 1.00 0.26 H new ATOM 0 HG23 VAL A 35 14.317 -1.179 2.754 1.00 0.26 H new ATOM 497 N THR A 36 15.929 -3.139 3.871 1.00 0.25 N ATOM 498 CA THR A 36 15.392 -4.129 4.789 1.00 0.27 C ATOM 499 C THR A 36 13.950 -3.802 5.116 1.00 0.23 C ATOM 500 O THR A 36 13.438 -2.789 4.649 1.00 0.20 O ATOM 501 CB THR A 36 16.201 -4.174 6.095 1.00 0.31 C ATOM 502 OG1 THR A 36 16.210 -2.875 6.701 1.00 0.30 O ATOM 503 CG2 THR A 36 17.629 -4.636 5.839 1.00 0.39 C ATOM 0 H THR A 36 16.273 -2.290 4.319 1.00 0.25 H new ATOM 0 HA THR A 36 15.455 -5.102 4.302 1.00 0.27 H new ATOM 0 HB THR A 36 15.728 -4.889 6.768 1.00 0.31 H new ATOM 0 HG1 THR A 36 16.918 -2.331 6.297 1.00 0.30 H new ATOM 0 HG21 THR A 36 18.178 -4.658 6.780 1.00 0.39 H new ATOM 0 HG22 THR A 36 17.616 -5.635 5.403 1.00 0.39 H new ATOM 0 HG23 THR A 36 18.117 -3.946 5.151 1.00 0.39 H new ATOM 511 N TYR A 37 13.290 -4.624 5.920 1.00 0.26 N ATOM 512 CA TYR A 37 11.928 -4.314 6.326 1.00 0.27 C ATOM 513 C TYR A 37 11.930 -3.033 7.154 1.00 0.23 C ATOM 514 O TYR A 37 10.965 -2.276 7.150 1.00 0.23 O ATOM 515 CB TYR A 37 11.285 -5.480 7.098 1.00 0.38 C ATOM 516 CG TYR A 37 11.660 -5.579 8.560 1.00 0.44 C ATOM 517 CD1 TYR A 37 12.855 -6.161 8.962 1.00 0.68 C ATOM 518 CD2 TYR A 37 10.799 -5.102 9.540 1.00 1.16 C ATOM 519 CE1 TYR A 37 13.180 -6.262 10.303 1.00 0.74 C ATOM 520 CE2 TYR A 37 11.118 -5.196 10.878 1.00 1.53 C ATOM 521 CZ TYR A 37 12.309 -5.776 11.255 1.00 1.12 C ATOM 522 OH TYR A 37 12.625 -5.876 12.592 1.00 1.50 O ATOM 0 H TYR A 37 13.667 -5.494 6.297 1.00 0.26 H new ATOM 0 HA TYR A 37 11.322 -4.161 5.433 1.00 0.27 H new ATOM 0 HB2 TYR A 37 10.201 -5.388 7.024 1.00 0.38 H new ATOM 0 HB3 TYR A 37 11.560 -6.413 6.607 1.00 0.38 H new ATOM 0 HD1 TYR A 37 13.540 -6.540 8.218 1.00 0.68 H new ATOM 0 HD2 TYR A 37 9.863 -4.649 9.249 1.00 1.16 H new ATOM 0 HE1 TYR A 37 14.111 -6.719 10.603 1.00 0.74 H new ATOM 0 HE2 TYR A 37 10.438 -4.817 11.626 1.00 1.53 H new ATOM 0 HH TYR A 37 11.905 -5.484 13.129 1.00 1.50 H new ATOM 532 N GLU A 38 13.051 -2.778 7.822 1.00 0.23 N ATOM 533 CA GLU A 38 13.224 -1.568 8.609 1.00 0.24 C ATOM 534 C GLU A 38 13.353 -0.359 7.693 1.00 0.24 C ATOM 535 O GLU A 38 12.691 0.657 7.895 1.00 0.26 O ATOM 536 CB GLU A 38 14.466 -1.694 9.491 1.00 0.29 C ATOM 537 CG GLU A 38 14.458 -2.934 10.364 1.00 0.35 C ATOM 538 CD GLU A 38 15.708 -3.071 11.202 1.00 0.67 C ATOM 539 OE1 GLU A 38 16.733 -3.554 10.674 1.00 0.96 O ATOM 540 OE2 GLU A 38 15.679 -2.687 12.388 1.00 0.93 O ATOM 0 H GLU A 38 13.858 -3.401 7.832 1.00 0.23 H new ATOM 0 HA GLU A 38 12.349 -1.433 9.245 1.00 0.24 H new ATOM 0 HB2 GLU A 38 15.353 -1.710 8.858 1.00 0.29 H new ATOM 0 HB3 GLU A 38 14.543 -0.811 10.126 1.00 0.29 H new ATOM 0 HG2 GLU A 38 13.588 -2.905 11.020 1.00 0.35 H new ATOM 0 HG3 GLU A 38 14.351 -3.816 9.733 1.00 0.35 H new ATOM 547 N ASP A 39 14.193 -0.483 6.669 1.00 0.24 N ATOM 548 CA ASP A 39 14.373 0.597 5.698 1.00 0.26 C ATOM 549 C ASP A 39 13.100 0.774 4.884 1.00 0.22 C ATOM 550 O ASP A 39 12.783 1.868 4.420 1.00 0.23 O ATOM 551 CB ASP A 39 15.542 0.310 4.753 1.00 0.31 C ATOM 552 CG ASP A 39 16.861 0.131 5.469 1.00 0.61 C ATOM 553 OD1 ASP A 39 17.334 1.107 6.092 1.00 0.91 O ATOM 554 OD2 ASP A 39 17.424 -0.982 5.431 1.00 0.82 O ATOM 0 H ASP A 39 14.757 -1.314 6.489 1.00 0.24 H new ATOM 0 HA ASP A 39 14.594 1.510 6.250 1.00 0.26 H new ATOM 0 HB2 ASP A 39 15.323 -0.590 4.179 1.00 0.31 H new ATOM 0 HB3 ASP A 39 15.632 1.129 4.039 1.00 0.31 H new ATOM 559 N ALA A 40 12.382 -0.326 4.722 1.00 0.19 N ATOM 560 CA ALA A 40 11.109 -0.326 4.016 1.00 0.18 C ATOM 561 C ALA A 40 10.045 0.392 4.832 1.00 0.16 C ATOM 562 O ALA A 40 9.267 1.179 4.297 1.00 0.17 O ATOM 563 CB ALA A 40 10.670 -1.748 3.713 1.00 0.18 C ATOM 0 H ALA A 40 12.663 -1.241 5.074 1.00 0.19 H new ATOM 0 HA ALA A 40 11.240 0.206 3.074 1.00 0.18 H new ATOM 0 HB1 ALA A 40 9.717 -1.730 3.185 1.00 0.18 H new ATOM 0 HB2 ALA A 40 11.420 -2.236 3.091 1.00 0.18 H new ATOM 0 HB3 ALA A 40 10.558 -2.301 4.646 1.00 0.18 H new ATOM 569 N ILE A 41 10.006 0.108 6.131 1.00 0.16 N ATOM 570 CA ILE A 41 9.122 0.830 7.036 1.00 0.18 C ATOM 571 C ILE A 41 9.504 2.298 7.055 1.00 0.20 C ATOM 572 O ILE A 41 8.642 3.174 7.078 1.00 0.21 O ATOM 573 CB ILE A 41 9.162 0.256 8.476 1.00 0.22 C ATOM 574 CG1 ILE A 41 8.530 -1.137 8.512 1.00 0.24 C ATOM 575 CG2 ILE A 41 8.449 1.186 9.452 1.00 0.27 C ATOM 576 CD1 ILE A 41 8.643 -1.826 9.852 1.00 0.30 C ATOM 0 H ILE A 41 10.573 -0.613 6.577 1.00 0.16 H new ATOM 0 HA ILE A 41 8.103 0.713 6.667 1.00 0.18 H new ATOM 0 HB ILE A 41 10.205 0.176 8.781 1.00 0.22 H new ATOM 0 HG12 ILE A 41 7.477 -1.054 8.245 1.00 0.24 H new ATOM 0 HG13 ILE A 41 9.004 -1.760 7.753 1.00 0.24 H new ATOM 0 HG21 ILE A 41 8.491 0.762 10.455 1.00 0.27 H new ATOM 0 HG22 ILE A 41 8.938 2.160 9.449 1.00 0.27 H new ATOM 0 HG23 ILE A 41 7.408 1.302 9.150 1.00 0.27 H new ATOM 0 HD11 ILE A 41 8.172 -2.807 9.797 1.00 0.30 H new ATOM 0 HD12 ILE A 41 9.695 -1.942 10.114 1.00 0.30 H new ATOM 0 HD13 ILE A 41 8.144 -1.226 10.613 1.00 0.30 H new ATOM 588 N LYS A 42 10.803 2.557 6.988 1.00 0.22 N ATOM 589 CA LYS A 42 11.307 3.918 6.948 1.00 0.28 C ATOM 590 C LYS A 42 10.802 4.629 5.698 1.00 0.28 C ATOM 591 O LYS A 42 10.677 5.850 5.665 1.00 0.37 O ATOM 592 CB LYS A 42 12.832 3.925 6.960 1.00 0.31 C ATOM 593 CG LYS A 42 13.421 5.319 7.079 1.00 0.85 C ATOM 594 CD LYS A 42 14.920 5.321 6.860 1.00 1.14 C ATOM 595 CE LYS A 42 15.466 6.737 6.872 1.00 1.46 C ATOM 596 NZ LYS A 42 16.888 6.787 6.458 1.00 2.32 N ATOM 0 H LYS A 42 11.526 1.839 6.960 1.00 0.22 H new ATOM 0 HA LYS A 42 10.945 4.443 7.832 1.00 0.28 H new ATOM 0 HB2 LYS A 42 13.185 3.316 7.792 1.00 0.31 H new ATOM 0 HB3 LYS A 42 13.199 3.459 6.045 1.00 0.31 H new ATOM 0 HG2 LYS A 42 12.947 5.976 6.350 1.00 0.85 H new ATOM 0 HG3 LYS A 42 13.198 5.724 8.066 1.00 0.85 H new ATOM 0 HD2 LYS A 42 15.406 4.733 7.638 1.00 1.14 H new ATOM 0 HD3 LYS A 42 15.153 4.845 5.908 1.00 1.14 H new ATOM 0 HE2 LYS A 42 14.872 7.360 6.204 1.00 1.46 H new ATOM 0 HE3 LYS A 42 15.365 7.156 7.873 1.00 1.46 H new ATOM 0 HZ1 LYS A 42 17.222 7.772 6.480 1.00 2.32 H new ATOM 0 HZ2 LYS A 42 17.460 6.213 7.110 1.00 2.32 H new ATOM 0 HZ3 LYS A 42 16.982 6.411 5.493 1.00 2.32 H new ATOM 610 N GLU A 43 10.497 3.842 4.680 1.00 0.22 N ATOM 611 CA GLU A 43 10.001 4.368 3.423 1.00 0.25 C ATOM 612 C GLU A 43 8.501 4.564 3.516 1.00 0.18 C ATOM 613 O GLU A 43 7.984 5.660 3.290 1.00 0.18 O ATOM 614 CB GLU A 43 10.328 3.404 2.278 1.00 0.33 C ATOM 615 CG GLU A 43 9.656 3.760 0.960 1.00 0.34 C ATOM 616 CD GLU A 43 10.641 4.147 -0.121 1.00 0.55 C ATOM 617 OE1 GLU A 43 11.620 3.403 -0.326 1.00 1.02 O ATOM 618 OE2 GLU A 43 10.449 5.201 -0.762 1.00 0.94 O ATOM 0 H GLU A 43 10.586 2.826 4.703 1.00 0.22 H new ATOM 0 HA GLU A 43 10.483 5.325 3.222 1.00 0.25 H new ATOM 0 HB2 GLU A 43 11.408 3.384 2.130 1.00 0.33 H new ATOM 0 HB3 GLU A 43 10.027 2.397 2.567 1.00 0.33 H new ATOM 0 HG2 GLU A 43 9.066 2.910 0.618 1.00 0.34 H new ATOM 0 HG3 GLU A 43 8.962 4.585 1.124 1.00 0.34 H new ATOM 625 N LEU A 44 7.816 3.496 3.902 1.00 0.16 N ATOM 626 CA LEU A 44 6.365 3.493 3.937 1.00 0.15 C ATOM 627 C LEU A 44 5.850 4.538 4.922 1.00 0.14 C ATOM 628 O LEU A 44 4.841 5.188 4.670 1.00 0.16 O ATOM 629 CB LEU A 44 5.829 2.107 4.309 1.00 0.13 C ATOM 630 CG LEU A 44 4.323 1.922 4.086 1.00 0.15 C ATOM 631 CD1 LEU A 44 3.980 2.075 2.617 1.00 0.17 C ATOM 632 CD2 LEU A 44 3.860 0.568 4.592 1.00 0.14 C ATOM 0 H LEU A 44 8.246 2.619 4.196 1.00 0.16 H new ATOM 0 HA LEU A 44 6.005 3.744 2.939 1.00 0.15 H new ATOM 0 HB2 LEU A 44 6.364 1.357 3.726 1.00 0.13 H new ATOM 0 HB3 LEU A 44 6.054 1.915 5.358 1.00 0.13 H new ATOM 0 HG LEU A 44 3.803 2.695 4.651 1.00 0.15 H new ATOM 0 HD11 LEU A 44 2.907 1.940 2.478 1.00 0.17 H new ATOM 0 HD12 LEU A 44 4.268 3.070 2.278 1.00 0.17 H new ATOM 0 HD13 LEU A 44 4.518 1.325 2.038 1.00 0.17 H new ATOM 0 HD21 LEU A 44 2.789 0.463 4.422 1.00 0.14 H new ATOM 0 HD22 LEU A 44 4.391 -0.221 4.059 1.00 0.14 H new ATOM 0 HD23 LEU A 44 4.067 0.488 5.659 1.00 0.14 H new ATOM 644 N GLN A 45 6.571 4.712 6.031 1.00 0.14 N ATOM 645 CA GLN A 45 6.164 5.650 7.078 1.00 0.14 C ATOM 646 C GLN A 45 6.264 7.099 6.627 1.00 0.17 C ATOM 647 O GLN A 45 5.571 7.961 7.163 1.00 0.27 O ATOM 648 CB GLN A 45 6.995 5.445 8.347 1.00 0.16 C ATOM 649 CG GLN A 45 6.455 4.354 9.256 1.00 0.22 C ATOM 650 CD GLN A 45 5.328 4.824 10.159 1.00 0.36 C ATOM 651 OE1 GLN A 45 4.552 5.791 9.703 1.00 0.87 O flip ATOM 652 NE2 GLN A 45 5.153 4.314 11.264 1.00 0.44 N flip ATOM 0 H GLN A 45 7.440 4.215 6.227 1.00 0.14 H new ATOM 0 HA GLN A 45 5.116 5.440 7.294 1.00 0.14 H new ATOM 0 HB2 GLN A 45 8.019 5.198 8.065 1.00 0.16 H new ATOM 0 HB3 GLN A 45 7.034 6.383 8.902 1.00 0.16 H new ATOM 0 HG2 GLN A 45 6.099 3.525 8.644 1.00 0.22 H new ATOM 0 HG3 GLN A 45 7.268 3.969 9.872 1.00 0.22 H new ATOM 0 HE21 GLN A 45 5.771 3.569 11.585 1.00 0.44 H new ATOM 0 HE22 GLN A 45 4.390 4.636 11.859 1.00 0.44 H new ATOM 661 N LYS A 46 7.118 7.370 5.654 1.00 0.14 N ATOM 662 CA LYS A 46 7.255 8.723 5.138 1.00 0.17 C ATOM 663 C LYS A 46 6.137 9.018 4.155 1.00 0.18 C ATOM 664 O LYS A 46 5.512 10.074 4.209 1.00 0.21 O ATOM 665 CB LYS A 46 8.615 8.920 4.462 1.00 0.22 C ATOM 666 CG LYS A 46 9.790 8.784 5.412 1.00 0.27 C ATOM 667 CD LYS A 46 11.121 8.936 4.691 1.00 0.39 C ATOM 668 CE LYS A 46 12.288 8.790 5.657 1.00 0.49 C ATOM 669 NZ LYS A 46 12.270 9.843 6.705 1.00 1.31 N ATOM 0 H LYS A 46 7.722 6.679 5.209 1.00 0.14 H new ATOM 0 HA LYS A 46 7.190 9.416 5.977 1.00 0.17 H new ATOM 0 HB2 LYS A 46 8.721 8.191 3.659 1.00 0.22 H new ATOM 0 HB3 LYS A 46 8.643 9.908 4.002 1.00 0.22 H new ATOM 0 HG2 LYS A 46 9.713 9.538 6.195 1.00 0.27 H new ATOM 0 HG3 LYS A 46 9.751 7.811 5.901 1.00 0.27 H new ATOM 0 HD2 LYS A 46 11.200 8.185 3.905 1.00 0.39 H new ATOM 0 HD3 LYS A 46 11.166 9.911 4.206 1.00 0.39 H new ATOM 0 HE2 LYS A 46 12.250 7.808 6.128 1.00 0.49 H new ATOM 0 HE3 LYS A 46 13.226 8.843 5.105 1.00 0.49 H new ATOM 0 HZ1 LYS A 46 13.188 9.862 7.194 1.00 1.31 H new ATOM 0 HZ2 LYS A 46 12.093 10.768 6.264 1.00 1.31 H new ATOM 0 HZ3 LYS A 46 11.516 9.637 7.391 1.00 1.31 H new ATOM 683 N TRP A 47 5.885 8.077 3.259 1.00 0.16 N ATOM 684 CA TRP A 47 4.808 8.220 2.297 1.00 0.19 C ATOM 685 C TRP A 47 3.452 8.226 2.986 1.00 0.19 C ATOM 686 O TRP A 47 2.633 9.098 2.715 1.00 0.22 O ATOM 687 CB TRP A 47 4.893 7.120 1.241 1.00 0.20 C ATOM 688 CG TRP A 47 6.200 7.159 0.521 1.00 0.20 C ATOM 689 CD1 TRP A 47 7.124 6.161 0.430 1.00 0.18 C ATOM 690 CD2 TRP A 47 6.748 8.282 -0.176 1.00 0.30 C ATOM 691 NE1 TRP A 47 8.214 6.596 -0.280 1.00 0.24 N ATOM 692 CE2 TRP A 47 8.005 7.894 -0.665 1.00 0.32 C ATOM 693 CE3 TRP A 47 6.294 9.580 -0.438 1.00 0.41 C ATOM 694 CZ2 TRP A 47 8.815 8.753 -1.396 1.00 0.43 C ATOM 695 CZ3 TRP A 47 7.100 10.432 -1.167 1.00 0.52 C ATOM 696 CH2 TRP A 47 8.349 10.016 -1.637 1.00 0.52 C ATOM 0 H TRP A 47 6.412 7.207 3.179 1.00 0.16 H new ATOM 0 HA TRP A 47 4.919 9.182 1.796 1.00 0.19 H new ATOM 0 HB2 TRP A 47 4.766 6.147 1.715 1.00 0.20 H new ATOM 0 HB3 TRP A 47 4.078 7.235 0.526 1.00 0.20 H new ATOM 0 HD1 TRP A 47 7.014 5.174 0.854 1.00 0.18 H new ATOM 0 HE1 TRP A 47 9.045 6.043 -0.488 1.00 0.24 H new ATOM 0 HE3 TRP A 47 5.331 9.909 -0.077 1.00 0.41 H new ATOM 0 HZ2 TRP A 47 9.780 8.435 -1.762 1.00 0.43 H new ATOM 0 HZ3 TRP A 47 6.760 11.435 -1.377 1.00 0.52 H new ATOM 0 HH2 TRP A 47 8.958 10.706 -2.202 1.00 0.52 H new ATOM 707 N SER A 48 3.226 7.292 3.906 1.00 0.17 N ATOM 708 CA SER A 48 1.965 7.250 4.635 1.00 0.19 C ATOM 709 C SER A 48 1.806 8.509 5.485 1.00 0.20 C ATOM 710 O SER A 48 0.691 8.914 5.808 1.00 0.28 O ATOM 711 CB SER A 48 1.866 5.985 5.504 1.00 0.23 C ATOM 712 OG SER A 48 2.824 5.974 6.554 1.00 0.82 O ATOM 0 H SER A 48 3.892 6.563 4.161 1.00 0.17 H new ATOM 0 HA SER A 48 1.152 7.214 3.910 1.00 0.19 H new ATOM 0 HB2 SER A 48 0.864 5.916 5.929 1.00 0.23 H new ATOM 0 HB3 SER A 48 2.008 5.105 4.877 1.00 0.23 H new ATOM 0 HG SER A 48 2.623 5.240 7.172 1.00 0.82 H new ATOM 718 N GLN A 49 2.933 9.131 5.828 1.00 0.17 N ATOM 719 CA GLN A 49 2.923 10.396 6.550 1.00 0.17 C ATOM 720 C GLN A 49 2.496 11.522 5.622 1.00 0.18 C ATOM 721 O GLN A 49 1.523 12.227 5.887 1.00 0.21 O ATOM 722 CB GLN A 49 4.314 10.714 7.099 1.00 0.19 C ATOM 723 CG GLN A 49 4.297 11.743 8.215 1.00 0.23 C ATOM 724 CD GLN A 49 5.684 12.227 8.585 1.00 0.36 C ATOM 725 OE1 GLN A 49 6.347 11.652 9.449 1.00 0.53 O ATOM 726 NE2 GLN A 49 6.131 13.290 7.941 1.00 0.45 N ATOM 0 H GLN A 49 3.865 8.776 5.615 1.00 0.17 H new ATOM 0 HA GLN A 49 2.219 10.307 7.377 1.00 0.17 H new ATOM 0 HB2 GLN A 49 4.770 9.795 7.468 1.00 0.19 H new ATOM 0 HB3 GLN A 49 4.943 11.079 6.287 1.00 0.19 H new ATOM 0 HG2 GLN A 49 3.689 12.594 7.909 1.00 0.23 H new ATOM 0 HG3 GLN A 49 3.821 11.311 9.095 1.00 0.23 H new ATOM 0 HE21 GLN A 49 5.551 13.738 7.232 1.00 0.45 H new ATOM 0 HE22 GLN A 49 7.056 13.663 8.153 1.00 0.45 H new ATOM 735 N ARG A 50 3.230 11.667 4.524 1.00 0.16 N ATOM 736 CA ARG A 50 2.989 12.739 3.566 1.00 0.16 C ATOM 737 C ARG A 50 1.592 12.648 2.971 1.00 0.14 C ATOM 738 O ARG A 50 0.918 13.660 2.800 1.00 0.15 O ATOM 739 CB ARG A 50 4.018 12.693 2.440 1.00 0.15 C ATOM 740 CG ARG A 50 5.449 12.937 2.876 1.00 0.19 C ATOM 741 CD ARG A 50 6.391 12.772 1.698 1.00 0.20 C ATOM 742 NE ARG A 50 7.788 12.984 2.061 1.00 0.27 N ATOM 743 CZ ARG A 50 8.766 13.158 1.175 1.00 0.33 C ATOM 744 NH1 ARG A 50 8.486 13.213 -0.125 1.00 0.35 N ATOM 745 NH2 ARG A 50 10.021 13.290 1.590 1.00 0.42 N ATOM 0 H ARG A 50 4.003 11.050 4.274 1.00 0.16 H new ATOM 0 HA ARG A 50 3.079 13.682 4.105 1.00 0.16 H new ATOM 0 HB2 ARG A 50 3.962 11.718 1.955 1.00 0.15 H new ATOM 0 HB3 ARG A 50 3.749 13.438 1.691 1.00 0.15 H new ATOM 0 HG2 ARG A 50 5.545 13.941 3.290 1.00 0.19 H new ATOM 0 HG3 ARG A 50 5.720 12.239 3.668 1.00 0.19 H new ATOM 0 HD2 ARG A 50 6.276 11.771 1.283 1.00 0.20 H new ATOM 0 HD3 ARG A 50 6.113 13.476 0.914 1.00 0.20 H new ATOM 0 HE ARG A 50 8.029 13.000 3.052 1.00 0.27 H new ATOM 0 HH11 ARG A 50 7.521 13.122 -0.443 1.00 0.35 H new ATOM 0 HH12 ARG A 50 9.236 13.346 -0.803 1.00 0.35 H new ATOM 0 HH21 ARG A 50 10.235 13.258 2.587 1.00 0.42 H new ATOM 0 HH22 ARG A 50 10.771 13.423 0.912 1.00 0.42 H new ATOM 759 N ILE A 51 1.170 11.437 2.635 1.00 0.13 N ATOM 760 CA ILE A 51 -0.167 11.213 2.103 1.00 0.13 C ATOM 761 C ILE A 51 -1.228 11.613 3.128 1.00 0.16 C ATOM 762 O ILE A 51 -2.243 12.221 2.782 1.00 0.20 O ATOM 763 CB ILE A 51 -0.370 9.735 1.697 1.00 0.13 C ATOM 764 CG1 ILE A 51 0.604 9.340 0.582 1.00 0.12 C ATOM 765 CG2 ILE A 51 -1.801 9.493 1.247 1.00 0.15 C ATOM 766 CD1 ILE A 51 0.592 7.859 0.267 1.00 0.13 C ATOM 0 H ILE A 51 1.736 10.593 2.722 1.00 0.13 H new ATOM 0 HA ILE A 51 -0.274 11.834 1.214 1.00 0.13 H new ATOM 0 HB ILE A 51 -0.169 9.116 2.571 1.00 0.13 H new ATOM 0 HG12 ILE A 51 0.356 9.898 -0.321 1.00 0.12 H new ATOM 0 HG13 ILE A 51 1.613 9.634 0.871 1.00 0.12 H new ATOM 0 HG21 ILE A 51 -1.922 8.447 0.966 1.00 0.15 H new ATOM 0 HG22 ILE A 51 -2.484 9.731 2.062 1.00 0.15 H new ATOM 0 HG23 ILE A 51 -2.025 10.127 0.389 1.00 0.15 H new ATOM 0 HD11 ILE A 51 1.305 7.651 -0.531 1.00 0.13 H new ATOM 0 HD12 ILE A 51 0.870 7.295 1.158 1.00 0.13 H new ATOM 0 HD13 ILE A 51 -0.407 7.563 -0.053 1.00 0.13 H new ATOM 778 N ALA A 52 -0.974 11.292 4.392 1.00 0.16 N ATOM 779 CA ALA A 52 -1.918 11.585 5.461 1.00 0.20 C ATOM 780 C ALA A 52 -2.033 13.086 5.705 1.00 0.22 C ATOM 781 O ALA A 52 -3.138 13.616 5.850 1.00 0.27 O ATOM 782 CB ALA A 52 -1.506 10.872 6.739 1.00 0.21 C ATOM 0 H ALA A 52 -0.120 10.828 4.700 1.00 0.16 H new ATOM 0 HA ALA A 52 -2.898 11.221 5.152 1.00 0.20 H new ATOM 0 HB1 ALA A 52 -2.221 11.100 7.530 1.00 0.21 H new ATOM 0 HB2 ALA A 52 -1.488 9.796 6.566 1.00 0.21 H new ATOM 0 HB3 ALA A 52 -0.513 11.208 7.039 1.00 0.21 H new ATOM 788 N SER A 53 -0.896 13.769 5.745 1.00 0.22 N ATOM 789 CA SER A 53 -0.874 15.201 6.020 1.00 0.26 C ATOM 790 C SER A 53 -1.285 16.010 4.792 1.00 0.28 C ATOM 791 O SER A 53 -1.890 17.079 4.912 1.00 0.35 O ATOM 792 CB SER A 53 0.525 15.612 6.472 1.00 0.28 C ATOM 793 OG SER A 53 1.502 15.171 5.545 1.00 0.26 O ATOM 0 H SER A 53 0.023 13.355 5.591 1.00 0.22 H new ATOM 0 HA SER A 53 -1.593 15.409 6.812 1.00 0.26 H new ATOM 0 HB2 SER A 53 0.576 16.696 6.573 1.00 0.28 H new ATOM 0 HB3 SER A 53 0.733 15.190 7.455 1.00 0.28 H new ATOM 0 HG SER A 53 1.683 14.219 5.689 1.00 0.26 H new ATOM 799 N GLY A 54 -0.983 15.486 3.613 1.00 0.25 N ATOM 800 CA GLY A 54 -1.342 16.168 2.389 1.00 0.28 C ATOM 801 C GLY A 54 -0.137 16.738 1.666 1.00 0.26 C ATOM 802 O GLY A 54 -0.287 17.510 0.718 1.00 0.30 O ATOM 0 H GLY A 54 -0.495 14.600 3.483 1.00 0.25 H new ATOM 0 HA2 GLY A 54 -1.862 15.474 1.729 1.00 0.28 H new ATOM 0 HA3 GLY A 54 -2.039 16.974 2.617 1.00 0.28 H new ATOM 806 N GLU A 55 1.059 16.366 2.116 1.00 0.23 N ATOM 807 CA GLU A 55 2.293 16.774 1.450 1.00 0.23 C ATOM 808 C GLU A 55 2.302 16.259 0.015 1.00 0.20 C ATOM 809 O GLU A 55 2.603 16.994 -0.924 1.00 0.24 O ATOM 810 CB GLU A 55 3.515 16.247 2.209 1.00 0.24 C ATOM 811 CG GLU A 55 3.694 16.865 3.585 1.00 0.42 C ATOM 812 CD GLU A 55 4.884 16.295 4.332 1.00 0.46 C ATOM 813 OE1 GLU A 55 6.034 16.622 3.969 1.00 0.54 O ATOM 814 OE2 GLU A 55 4.676 15.509 5.282 1.00 0.65 O ATOM 0 H GLU A 55 1.200 15.782 2.940 1.00 0.23 H new ATOM 0 HA GLU A 55 2.340 17.863 1.438 1.00 0.23 H new ATOM 0 HB2 GLU A 55 3.427 15.166 2.315 1.00 0.24 H new ATOM 0 HB3 GLU A 55 4.410 16.437 1.616 1.00 0.24 H new ATOM 0 HG2 GLU A 55 3.818 17.943 3.481 1.00 0.42 H new ATOM 0 HG3 GLU A 55 2.790 16.703 4.172 1.00 0.42 H new ATOM 821 N VAL A 56 1.961 14.987 -0.142 1.00 0.17 N ATOM 822 CA VAL A 56 1.760 14.401 -1.458 1.00 0.15 C ATOM 823 C VAL A 56 0.471 13.603 -1.460 1.00 0.15 C ATOM 824 O VAL A 56 -0.028 13.213 -0.402 1.00 0.19 O ATOM 825 CB VAL A 56 2.924 13.483 -1.911 1.00 0.15 C ATOM 826 CG1 VAL A 56 4.157 14.296 -2.265 1.00 0.18 C ATOM 827 CG2 VAL A 56 3.268 12.451 -0.852 1.00 0.15 C ATOM 0 H VAL A 56 1.817 14.338 0.632 1.00 0.17 H new ATOM 0 HA VAL A 56 1.715 15.229 -2.165 1.00 0.15 H new ATOM 0 HB VAL A 56 2.585 12.955 -2.803 1.00 0.15 H new ATOM 0 HG11 VAL A 56 4.957 13.626 -2.579 1.00 0.18 H new ATOM 0 HG12 VAL A 56 3.919 14.983 -3.077 1.00 0.18 H new ATOM 0 HG13 VAL A 56 4.481 14.864 -1.393 1.00 0.18 H new ATOM 0 HG21 VAL A 56 4.088 11.826 -1.206 1.00 0.15 H new ATOM 0 HG22 VAL A 56 3.567 12.957 0.066 1.00 0.15 H new ATOM 0 HG23 VAL A 56 2.396 11.828 -0.655 1.00 0.15 H new ATOM 837 N SER A 57 -0.077 13.374 -2.636 1.00 0.13 N ATOM 838 CA SER A 57 -1.285 12.594 -2.754 1.00 0.15 C ATOM 839 C SER A 57 -0.924 11.119 -2.827 1.00 0.15 C ATOM 840 O SER A 57 0.198 10.787 -3.217 1.00 0.18 O ATOM 841 CB SER A 57 -2.068 13.027 -3.989 1.00 0.22 C ATOM 842 OG SER A 57 -2.281 14.430 -3.978 1.00 0.97 O ATOM 0 H SER A 57 0.297 13.718 -3.521 1.00 0.13 H new ATOM 0 HA SER A 57 -1.917 12.758 -1.881 1.00 0.15 H new ATOM 0 HB2 SER A 57 -1.523 12.743 -4.890 1.00 0.22 H new ATOM 0 HB3 SER A 57 -3.026 12.508 -4.019 1.00 0.22 H new ATOM 0 HG SER A 57 -2.783 14.691 -4.778 1.00 0.97 H new ATOM 848 N PHE A 58 -1.844 10.242 -2.439 1.00 0.16 N ATOM 849 CA PHE A 58 -1.568 8.808 -2.426 1.00 0.16 C ATOM 850 C PHE A 58 -1.034 8.373 -3.786 1.00 0.18 C ATOM 851 O PHE A 58 -0.053 7.630 -3.882 1.00 0.19 O ATOM 852 CB PHE A 58 -2.835 8.023 -2.078 1.00 0.18 C ATOM 853 CG PHE A 58 -2.568 6.654 -1.515 1.00 0.17 C ATOM 854 CD1 PHE A 58 -1.985 5.669 -2.291 1.00 0.18 C ATOM 855 CD2 PHE A 58 -2.909 6.353 -0.206 1.00 0.19 C ATOM 856 CE1 PHE A 58 -1.744 4.412 -1.775 1.00 0.20 C ATOM 857 CE2 PHE A 58 -2.671 5.099 0.317 1.00 0.21 C ATOM 858 CZ PHE A 58 -2.086 4.127 -0.469 1.00 0.22 C ATOM 0 H PHE A 58 -2.783 10.496 -2.131 1.00 0.16 H new ATOM 0 HA PHE A 58 -0.815 8.601 -1.665 1.00 0.16 H new ATOM 0 HB2 PHE A 58 -3.418 8.595 -1.356 1.00 0.18 H new ATOM 0 HB3 PHE A 58 -3.447 7.924 -2.975 1.00 0.18 H new ATOM 0 HD1 PHE A 58 -1.715 5.886 -3.314 1.00 0.18 H new ATOM 0 HD2 PHE A 58 -3.367 7.110 0.413 1.00 0.19 H new ATOM 0 HE1 PHE A 58 -1.288 3.652 -2.393 1.00 0.20 H new ATOM 0 HE2 PHE A 58 -2.942 4.878 1.339 1.00 0.21 H new ATOM 0 HZ PHE A 58 -1.896 3.145 -0.062 1.00 0.22 H new ATOM 868 N GLU A 59 -1.667 8.899 -4.827 1.00 0.20 N ATOM 869 CA GLU A 59 -1.302 8.600 -6.203 1.00 0.22 C ATOM 870 C GLU A 59 0.170 8.887 -6.480 1.00 0.24 C ATOM 871 O GLU A 59 0.843 8.100 -7.149 1.00 0.31 O ATOM 872 CB GLU A 59 -2.162 9.422 -7.155 1.00 0.27 C ATOM 873 CG GLU A 59 -3.650 9.195 -6.985 1.00 0.36 C ATOM 874 CD GLU A 59 -4.474 10.069 -7.902 1.00 0.87 C ATOM 875 OE1 GLU A 59 -4.544 9.763 -9.111 1.00 1.72 O ATOM 876 OE2 GLU A 59 -5.049 11.067 -7.423 1.00 0.96 O ATOM 0 H GLU A 59 -2.450 9.547 -4.739 1.00 0.20 H new ATOM 0 HA GLU A 59 -1.473 7.535 -6.362 1.00 0.22 H new ATOM 0 HB2 GLU A 59 -1.946 10.480 -7.004 1.00 0.27 H new ATOM 0 HB3 GLU A 59 -1.882 9.183 -8.181 1.00 0.27 H new ATOM 0 HG2 GLU A 59 -3.880 8.148 -7.182 1.00 0.36 H new ATOM 0 HG3 GLU A 59 -3.929 9.394 -5.950 1.00 0.36 H new ATOM 883 N GLU A 60 0.669 10.004 -5.958 1.00 0.23 N ATOM 884 CA GLU A 60 2.027 10.437 -6.252 1.00 0.24 C ATOM 885 C GLU A 60 3.046 9.467 -5.681 1.00 0.23 C ATOM 886 O GLU A 60 3.972 9.050 -6.373 1.00 0.26 O ATOM 887 CB GLU A 60 2.274 11.848 -5.711 1.00 0.25 C ATOM 888 CG GLU A 60 1.305 12.877 -6.267 1.00 0.29 C ATOM 889 CD GLU A 60 1.330 12.933 -7.782 1.00 1.18 C ATOM 890 OE1 GLU A 60 0.690 12.076 -8.422 1.00 2.09 O ATOM 891 OE2 GLU A 60 1.984 13.839 -8.340 1.00 1.24 O ATOM 0 H GLU A 60 0.153 10.622 -5.332 1.00 0.23 H new ATOM 0 HA GLU A 60 2.144 10.454 -7.336 1.00 0.24 H new ATOM 0 HB2 GLU A 60 2.195 11.833 -4.624 1.00 0.25 H new ATOM 0 HB3 GLU A 60 3.293 12.150 -5.952 1.00 0.25 H new ATOM 0 HG2 GLU A 60 0.295 12.640 -5.931 1.00 0.29 H new ATOM 0 HG3 GLU A 60 1.552 13.860 -5.865 1.00 0.29 H new ATOM 898 N ALA A 61 2.859 9.090 -4.427 1.00 0.22 N ATOM 899 CA ALA A 61 3.784 8.185 -3.765 1.00 0.23 C ATOM 900 C ALA A 61 3.685 6.784 -4.355 1.00 0.22 C ATOM 901 O ALA A 61 4.698 6.139 -4.618 1.00 0.26 O ATOM 902 CB ALA A 61 3.515 8.151 -2.271 1.00 0.24 C ATOM 0 H ALA A 61 2.077 9.396 -3.848 1.00 0.22 H new ATOM 0 HA ALA A 61 4.797 8.553 -3.928 1.00 0.23 H new ATOM 0 HB1 ALA A 61 4.216 7.469 -1.790 1.00 0.24 H new ATOM 0 HB2 ALA A 61 3.640 9.151 -1.856 1.00 0.24 H new ATOM 0 HB3 ALA A 61 2.496 7.809 -2.093 1.00 0.24 H new ATOM 908 N ALA A 62 2.458 6.332 -4.584 1.00 0.20 N ATOM 909 CA ALA A 62 2.214 4.983 -5.076 1.00 0.20 C ATOM 910 C ALA A 62 2.868 4.748 -6.436 1.00 0.21 C ATOM 911 O ALA A 62 3.611 3.789 -6.609 1.00 0.24 O ATOM 912 CB ALA A 62 0.722 4.720 -5.152 1.00 0.20 C ATOM 0 H ALA A 62 1.613 6.884 -4.436 1.00 0.20 H new ATOM 0 HA ALA A 62 2.667 4.284 -4.373 1.00 0.20 H new ATOM 0 HB1 ALA A 62 0.549 3.709 -5.521 1.00 0.20 H new ATOM 0 HB2 ALA A 62 0.283 4.824 -4.160 1.00 0.20 H new ATOM 0 HB3 ALA A 62 0.260 5.438 -5.830 1.00 0.20 H new ATOM 918 N SER A 63 2.611 5.645 -7.378 1.00 0.21 N ATOM 919 CA SER A 63 3.128 5.526 -8.738 1.00 0.23 C ATOM 920 C SER A 63 4.640 5.287 -8.783 1.00 0.24 C ATOM 921 O SER A 63 5.147 4.680 -9.727 1.00 0.27 O ATOM 922 CB SER A 63 2.776 6.788 -9.525 1.00 0.26 C ATOM 923 OG SER A 63 1.371 7.009 -9.524 1.00 1.00 O ATOM 0 H SER A 63 2.039 6.475 -7.223 1.00 0.21 H new ATOM 0 HA SER A 63 2.659 4.651 -9.189 1.00 0.23 H new ATOM 0 HB2 SER A 63 3.284 7.648 -9.088 1.00 0.26 H new ATOM 0 HB3 SER A 63 3.133 6.694 -10.551 1.00 0.26 H new ATOM 0 HG SER A 63 1.117 7.497 -8.713 1.00 1.00 H new ATOM 929 N GLN A 64 5.357 5.752 -7.771 1.00 0.24 N ATOM 930 CA GLN A 64 6.802 5.580 -7.733 1.00 0.27 C ATOM 931 C GLN A 64 7.185 4.399 -6.859 1.00 0.26 C ATOM 932 O GLN A 64 8.020 3.569 -7.217 1.00 0.29 O ATOM 933 CB GLN A 64 7.449 6.823 -7.146 1.00 0.31 C ATOM 934 CG GLN A 64 6.769 8.102 -7.564 1.00 0.35 C ATOM 935 CD GLN A 64 7.334 9.321 -6.874 1.00 0.42 C ATOM 936 OE1 GLN A 64 8.541 9.436 -6.653 1.00 0.61 O ATOM 937 NE2 GLN A 64 6.442 10.190 -6.449 1.00 0.35 N ATOM 0 H GLN A 64 4.966 6.248 -6.970 1.00 0.24 H new ATOM 0 HA GLN A 64 7.145 5.407 -8.753 1.00 0.27 H new ATOM 0 HB2 GLN A 64 7.437 6.752 -6.058 1.00 0.31 H new ATOM 0 HB3 GLN A 64 8.495 6.859 -7.451 1.00 0.31 H new ATOM 0 HG2 GLN A 64 6.867 8.224 -8.643 1.00 0.35 H new ATOM 0 HG3 GLN A 64 5.703 8.029 -7.347 1.00 0.35 H new ATOM 0 HE21 GLN A 64 5.454 10.050 -6.658 1.00 0.35 H new ATOM 0 HE22 GLN A 64 6.739 11.004 -5.910 1.00 0.35 H new ATOM 946 N ARG A 65 6.572 4.363 -5.694 1.00 0.26 N ATOM 947 CA ARG A 65 7.004 3.501 -4.611 1.00 0.28 C ATOM 948 C ARG A 65 6.264 2.172 -4.554 1.00 0.27 C ATOM 949 O ARG A 65 6.866 1.149 -4.226 1.00 0.32 O ATOM 950 CB ARG A 65 6.832 4.263 -3.306 1.00 0.33 C ATOM 951 CG ARG A 65 7.564 5.593 -3.325 1.00 0.37 C ATOM 952 CD ARG A 65 9.041 5.383 -3.607 1.00 0.43 C ATOM 953 NE ARG A 65 9.808 6.625 -3.619 1.00 0.58 N ATOM 954 CZ ARG A 65 10.508 7.064 -4.667 1.00 0.66 C ATOM 955 NH1 ARG A 65 10.472 6.411 -5.824 1.00 0.59 N ATOM 956 NH2 ARG A 65 11.243 8.160 -4.559 1.00 0.86 N ATOM 0 H ARG A 65 5.756 4.933 -5.470 1.00 0.26 H new ATOM 0 HA ARG A 65 8.049 3.242 -4.784 1.00 0.28 H new ATOM 0 HB2 ARG A 65 5.771 4.435 -3.124 1.00 0.33 H new ATOM 0 HB3 ARG A 65 7.203 3.656 -2.480 1.00 0.33 H new ATOM 0 HG2 ARG A 65 7.131 6.242 -4.086 1.00 0.37 H new ATOM 0 HG3 ARG A 65 7.439 6.097 -2.367 1.00 0.37 H new ATOM 0 HD2 ARG A 65 9.456 4.715 -2.853 1.00 0.43 H new ATOM 0 HD3 ARG A 65 9.153 4.885 -4.570 1.00 0.43 H new ATOM 0 HE ARG A 65 9.809 7.194 -2.772 1.00 0.58 H new ATOM 0 HH11 ARG A 65 9.906 5.567 -5.916 1.00 0.59 H new ATOM 0 HH12 ARG A 65 11.010 6.754 -6.620 1.00 0.59 H new ATOM 0 HH21 ARG A 65 11.274 8.668 -3.675 1.00 0.86 H new ATOM 0 HH22 ARG A 65 11.778 8.496 -5.360 1.00 0.86 H new ATOM 970 N SER A 66 4.973 2.177 -4.852 1.00 0.25 N ATOM 971 CA SER A 66 4.196 0.943 -4.782 1.00 0.25 C ATOM 972 C SER A 66 4.687 -0.044 -5.833 1.00 0.23 C ATOM 973 O SER A 66 4.641 0.231 -7.031 1.00 0.24 O ATOM 974 CB SER A 66 2.687 1.196 -4.945 1.00 0.24 C ATOM 975 OG SER A 66 2.338 1.544 -6.272 1.00 0.82 O ATOM 0 H SER A 66 4.447 3.003 -5.139 1.00 0.25 H new ATOM 0 HA SER A 66 4.344 0.518 -3.789 1.00 0.25 H new ATOM 0 HB2 SER A 66 2.138 0.302 -4.650 1.00 0.24 H new ATOM 0 HB3 SER A 66 2.380 1.995 -4.270 1.00 0.24 H new ATOM 0 HG SER A 66 3.023 2.137 -6.646 1.00 0.82 H new ATOM 981 N ASP A 67 5.188 -1.179 -5.371 1.00 0.25 N ATOM 982 CA ASP A 67 5.679 -2.214 -6.264 1.00 0.28 C ATOM 983 C ASP A 67 4.524 -2.944 -6.947 1.00 0.31 C ATOM 984 O ASP A 67 4.704 -3.623 -7.957 1.00 0.48 O ATOM 985 CB ASP A 67 6.568 -3.200 -5.506 1.00 0.39 C ATOM 986 CG ASP A 67 6.979 -4.383 -6.357 1.00 1.59 C ATOM 987 OD1 ASP A 67 7.771 -4.192 -7.301 1.00 1.91 O ATOM 988 OD2 ASP A 67 6.508 -5.507 -6.085 1.00 2.28 O ATOM 0 H ASP A 67 5.265 -1.406 -4.380 1.00 0.25 H new ATOM 0 HA ASP A 67 6.278 -1.735 -7.039 1.00 0.28 H new ATOM 0 HB2 ASP A 67 7.460 -2.683 -5.153 1.00 0.39 H new ATOM 0 HB3 ASP A 67 6.038 -3.558 -4.624 1.00 0.39 H new ATOM 993 N CYS A 68 3.331 -2.773 -6.408 1.00 0.24 N ATOM 994 CA CYS A 68 2.153 -3.405 -6.971 1.00 0.26 C ATOM 995 C CYS A 68 1.699 -2.646 -8.212 1.00 0.27 C ATOM 996 O CYS A 68 2.050 -1.483 -8.415 1.00 0.38 O ATOM 997 CB CYS A 68 1.032 -3.447 -5.933 1.00 0.29 C ATOM 998 SG CYS A 68 -0.430 -4.381 -6.435 1.00 1.52 S ATOM 0 H CYS A 68 3.153 -2.202 -5.582 1.00 0.24 H new ATOM 0 HA CYS A 68 2.400 -4.427 -7.256 1.00 0.26 H new ATOM 0 HB2 CYS A 68 1.424 -3.880 -5.013 1.00 0.29 H new ATOM 0 HB3 CYS A 68 0.731 -2.425 -5.702 1.00 0.29 H new ATOM 0 HG CYS A 68 -0.876 -5.065 -5.424 1.00 1.52 H new ATOM 1004 N GLY A 69 0.903 -3.334 -9.023 1.00 0.26 N ATOM 1005 CA GLY A 69 0.541 -2.858 -10.351 1.00 0.25 C ATOM 1006 C GLY A 69 -0.123 -1.496 -10.369 1.00 0.22 C ATOM 1007 O GLY A 69 -0.167 -0.843 -11.413 1.00 0.25 O ATOM 0 H GLY A 69 0.492 -4.235 -8.778 1.00 0.26 H new ATOM 0 HA2 GLY A 69 1.439 -2.819 -10.967 1.00 0.25 H new ATOM 0 HA3 GLY A 69 -0.130 -3.582 -10.813 1.00 0.25 H new ATOM 1011 N SER A 70 -0.631 -1.057 -9.227 1.00 0.21 N ATOM 1012 CA SER A 70 -1.273 0.241 -9.131 1.00 0.24 C ATOM 1013 C SER A 70 -0.283 1.405 -9.248 1.00 0.22 C ATOM 1014 O SER A 70 -0.693 2.559 -9.187 1.00 0.25 O ATOM 1015 CB SER A 70 -2.041 0.339 -7.818 1.00 0.31 C ATOM 1016 OG SER A 70 -1.314 -0.268 -6.762 1.00 0.32 O ATOM 0 H SER A 70 -0.610 -1.583 -8.354 1.00 0.21 H new ATOM 0 HA SER A 70 -1.959 0.324 -9.974 1.00 0.24 H new ATOM 0 HB2 SER A 70 -2.231 1.386 -7.580 1.00 0.31 H new ATOM 0 HB3 SER A 70 -3.012 -0.145 -7.922 1.00 0.31 H new ATOM 0 HG SER A 70 -1.642 0.070 -5.903 1.00 0.32 H new ATOM 1022 N TYR A 71 1.008 1.124 -9.416 1.00 0.20 N ATOM 1023 CA TYR A 71 1.990 2.191 -9.623 1.00 0.20 C ATOM 1024 C TYR A 71 1.644 2.982 -10.887 1.00 0.22 C ATOM 1025 O TYR A 71 1.950 4.163 -10.998 1.00 0.29 O ATOM 1026 CB TYR A 71 3.419 1.627 -9.728 1.00 0.21 C ATOM 1027 CG TYR A 71 3.694 0.843 -10.996 1.00 0.25 C ATOM 1028 CD1 TYR A 71 3.361 -0.501 -11.097 1.00 0.27 C ATOM 1029 CD2 TYR A 71 4.294 1.454 -12.091 1.00 0.35 C ATOM 1030 CE1 TYR A 71 3.616 -1.213 -12.252 1.00 0.36 C ATOM 1031 CE2 TYR A 71 4.550 0.747 -13.249 1.00 0.44 C ATOM 1032 CZ TYR A 71 4.208 -0.584 -13.325 1.00 0.43 C ATOM 1033 OH TYR A 71 4.465 -1.290 -14.478 1.00 0.54 O ATOM 0 H TYR A 71 1.396 0.181 -9.413 1.00 0.20 H new ATOM 0 HA TYR A 71 1.954 2.854 -8.759 1.00 0.20 H new ATOM 0 HB2 TYR A 71 4.127 2.453 -9.666 1.00 0.21 H new ATOM 0 HB3 TYR A 71 3.605 0.982 -8.869 1.00 0.21 H new ATOM 0 HD1 TYR A 71 2.895 -0.997 -10.259 1.00 0.27 H new ATOM 0 HD2 TYR A 71 4.564 2.498 -12.035 1.00 0.35 H new ATOM 0 HE1 TYR A 71 3.352 -2.259 -12.314 1.00 0.36 H new ATOM 0 HE2 TYR A 71 5.016 1.236 -14.091 1.00 0.44 H new ATOM 0 HH TYR A 71 4.884 -0.698 -15.137 1.00 0.54 H new ATOM 1043 N ALA A 72 0.982 2.330 -11.834 1.00 0.24 N ATOM 1044 CA ALA A 72 0.565 2.996 -13.060 1.00 0.30 C ATOM 1045 C ALA A 72 -0.864 3.502 -12.924 1.00 0.36 C ATOM 1046 O ALA A 72 -1.456 4.008 -13.878 1.00 0.49 O ATOM 1047 CB ALA A 72 0.689 2.048 -14.244 1.00 0.38 C ATOM 0 H ALA A 72 0.723 1.345 -11.777 1.00 0.24 H new ATOM 0 HA ALA A 72 1.218 3.851 -13.235 1.00 0.30 H new ATOM 0 HB1 ALA A 72 0.374 2.559 -15.154 1.00 0.38 H new ATOM 0 HB2 ALA A 72 1.726 1.729 -14.348 1.00 0.38 H new ATOM 0 HB3 ALA A 72 0.056 1.176 -14.080 1.00 0.38 H new ATOM 1053 N SER A 73 -1.413 3.356 -11.727 1.00 0.32 N ATOM 1054 CA SER A 73 -2.795 3.723 -11.463 1.00 0.44 C ATOM 1055 C SER A 73 -2.887 4.713 -10.300 1.00 0.49 C ATOM 1056 O SER A 73 -3.976 5.134 -9.911 1.00 0.71 O ATOM 1057 CB SER A 73 -3.598 2.467 -11.132 1.00 0.47 C ATOM 1058 OG SER A 73 -3.181 1.375 -11.936 1.00 0.62 O ATOM 0 H SER A 73 -0.917 2.983 -10.918 1.00 0.32 H new ATOM 0 HA SER A 73 -3.203 4.202 -12.353 1.00 0.44 H new ATOM 0 HB2 SER A 73 -3.473 2.217 -10.078 1.00 0.47 H new ATOM 0 HB3 SER A 73 -4.660 2.657 -11.291 1.00 0.47 H new ATOM 0 HG SER A 73 -3.707 0.580 -11.707 1.00 0.62 H new ATOM 1064 N GLY A 74 -1.737 5.077 -9.746 1.00 0.41 N ATOM 1065 CA GLY A 74 -1.715 5.967 -8.601 1.00 0.54 C ATOM 1066 C GLY A 74 -2.127 5.267 -7.319 1.00 0.45 C ATOM 1067 O GLY A 74 -2.689 5.884 -6.419 1.00 0.49 O ATOM 0 H GLY A 74 -0.819 4.772 -10.069 1.00 0.41 H new ATOM 0 HA2 GLY A 74 -0.712 6.378 -8.482 1.00 0.54 H new ATOM 0 HA3 GLY A 74 -2.384 6.808 -8.784 1.00 0.54 H new ATOM 1071 N GLY A 75 -1.858 3.968 -7.244 1.00 0.35 N ATOM 1072 CA GLY A 75 -2.201 3.200 -6.060 1.00 0.32 C ATOM 1073 C GLY A 75 -3.637 2.718 -6.083 1.00 0.20 C ATOM 1074 O GLY A 75 -4.058 1.951 -5.220 1.00 0.21 O ATOM 0 H GLY A 75 -1.407 3.431 -7.985 1.00 0.35 H new ATOM 0 HA2 GLY A 75 -1.533 2.342 -5.980 1.00 0.32 H new ATOM 0 HA3 GLY A 75 -2.040 3.813 -5.173 1.00 0.32 H new ATOM 1078 N ASP A 76 -4.367 3.117 -7.107 1.00 0.35 N ATOM 1079 CA ASP A 76 -5.808 2.919 -7.144 1.00 0.39 C ATOM 1080 C ASP A 76 -6.166 1.545 -7.655 1.00 0.32 C ATOM 1081 O ASP A 76 -5.533 1.034 -8.581 1.00 0.36 O ATOM 1082 CB ASP A 76 -6.461 3.945 -8.051 1.00 0.63 C ATOM 1083 CG ASP A 76 -7.970 3.970 -7.931 1.00 0.77 C ATOM 1084 OD1 ASP A 76 -8.481 4.569 -6.963 1.00 1.65 O ATOM 1085 OD2 ASP A 76 -8.651 3.375 -8.789 1.00 0.80 O ATOM 0 H ASP A 76 -3.985 3.583 -7.930 1.00 0.35 H new ATOM 0 HA ASP A 76 -6.170 3.029 -6.122 1.00 0.39 H new ATOM 0 HB2 ASP A 76 -6.067 4.933 -7.814 1.00 0.63 H new ATOM 0 HB3 ASP A 76 -6.188 3.733 -9.085 1.00 0.63 H new ATOM 1090 N LEU A 77 -7.178 0.953 -7.049 1.00 0.32 N ATOM 1091 CA LEU A 77 -7.734 -0.288 -7.544 1.00 0.30 C ATOM 1092 C LEU A 77 -9.206 -0.117 -7.873 1.00 0.32 C ATOM 1093 O LEU A 77 -9.848 0.841 -7.444 1.00 0.35 O ATOM 1094 CB LEU A 77 -7.545 -1.416 -6.537 1.00 0.32 C ATOM 1095 CG LEU A 77 -6.554 -2.515 -6.941 1.00 0.54 C ATOM 1096 CD1 LEU A 77 -5.290 -1.925 -7.556 1.00 0.94 C ATOM 1097 CD2 LEU A 77 -6.209 -3.372 -5.731 1.00 0.94 C ATOM 0 H LEU A 77 -7.632 1.315 -6.210 1.00 0.32 H new ATOM 0 HA LEU A 77 -7.199 -0.555 -8.455 1.00 0.30 H new ATOM 0 HB2 LEU A 77 -7.213 -0.983 -5.593 1.00 0.32 H new ATOM 0 HB3 LEU A 77 -8.515 -1.878 -6.352 1.00 0.32 H new ATOM 0 HG LEU A 77 -7.028 -3.140 -7.698 1.00 0.54 H new ATOM 0 HD11 LEU A 77 -4.609 -2.730 -7.831 1.00 0.94 H new ATOM 0 HD12 LEU A 77 -5.552 -1.351 -8.445 1.00 0.94 H new ATOM 0 HD13 LEU A 77 -4.804 -1.271 -6.832 1.00 0.94 H new ATOM 0 HD21 LEU A 77 -5.505 -4.150 -6.025 1.00 0.94 H new ATOM 0 HD22 LEU A 77 -5.758 -2.748 -4.960 1.00 0.94 H new ATOM 0 HD23 LEU A 77 -7.117 -3.832 -5.341 1.00 0.94 H new ATOM 1109 N GLY A 78 -9.714 -1.052 -8.637 1.00 0.37 N ATOM 1110 CA GLY A 78 -11.093 -1.011 -9.089 1.00 0.39 C ATOM 1111 C GLY A 78 -12.087 -1.464 -8.036 1.00 0.34 C ATOM 1112 O GLY A 78 -12.221 -0.837 -6.985 1.00 0.44 O ATOM 0 H GLY A 78 -9.190 -1.863 -8.965 1.00 0.37 H new ATOM 0 HA2 GLY A 78 -11.337 0.006 -9.394 1.00 0.39 H new ATOM 0 HA3 GLY A 78 -11.197 -1.642 -9.971 1.00 0.39 H new ATOM 1116 N PHE A 79 -12.792 -2.548 -8.324 1.00 0.47 N ATOM 1117 CA PHE A 79 -13.830 -3.048 -7.433 1.00 0.46 C ATOM 1118 C PHE A 79 -13.469 -4.428 -6.896 1.00 0.45 C ATOM 1119 O PHE A 79 -12.916 -5.262 -7.616 1.00 0.61 O ATOM 1120 CB PHE A 79 -15.180 -3.092 -8.163 1.00 0.61 C ATOM 1121 CG PHE A 79 -15.152 -3.837 -9.472 1.00 1.69 C ATOM 1122 CD1 PHE A 79 -14.847 -3.178 -10.653 1.00 1.73 C ATOM 1123 CD2 PHE A 79 -15.432 -5.193 -9.522 1.00 2.78 C ATOM 1124 CE1 PHE A 79 -14.820 -3.856 -11.855 1.00 2.78 C ATOM 1125 CE2 PHE A 79 -15.406 -5.876 -10.721 1.00 3.87 C ATOM 1126 CZ PHE A 79 -15.099 -5.207 -11.890 1.00 3.85 C ATOM 0 H PHE A 79 -12.664 -3.101 -9.172 1.00 0.47 H new ATOM 0 HA PHE A 79 -13.911 -2.367 -6.586 1.00 0.46 H new ATOM 0 HB2 PHE A 79 -15.918 -3.557 -7.509 1.00 0.61 H new ATOM 0 HB3 PHE A 79 -15.514 -2.071 -8.346 1.00 0.61 H new ATOM 0 HD1 PHE A 79 -14.628 -2.121 -10.632 1.00 1.73 H new ATOM 0 HD2 PHE A 79 -15.673 -5.722 -8.612 1.00 2.78 H new ATOM 0 HE1 PHE A 79 -14.581 -3.330 -12.767 1.00 2.78 H new ATOM 0 HE2 PHE A 79 -15.626 -6.933 -10.745 1.00 3.87 H new ATOM 0 HZ PHE A 79 -15.077 -5.740 -12.829 1.00 3.85 H new ATOM 1136 N PHE A 80 -13.775 -4.658 -5.626 1.00 0.40 N ATOM 1137 CA PHE A 80 -13.460 -5.919 -4.970 1.00 0.45 C ATOM 1138 C PHE A 80 -14.348 -6.138 -3.753 1.00 0.46 C ATOM 1139 O PHE A 80 -14.480 -5.262 -2.907 1.00 0.55 O ATOM 1140 CB PHE A 80 -11.985 -5.941 -4.552 1.00 0.45 C ATOM 1141 CG PHE A 80 -11.471 -4.615 -4.059 1.00 0.62 C ATOM 1142 CD1 PHE A 80 -11.743 -4.201 -2.767 1.00 0.89 C ATOM 1143 CD2 PHE A 80 -10.721 -3.782 -4.877 1.00 1.01 C ATOM 1144 CE1 PHE A 80 -11.280 -2.990 -2.305 1.00 1.19 C ATOM 1145 CE2 PHE A 80 -10.261 -2.565 -4.408 1.00 1.28 C ATOM 1146 CZ PHE A 80 -10.504 -2.175 -3.175 1.00 1.31 C ATOM 0 H PHE A 80 -14.245 -3.981 -5.026 1.00 0.40 H new ATOM 0 HA PHE A 80 -13.645 -6.726 -5.679 1.00 0.45 H new ATOM 0 HB2 PHE A 80 -11.851 -6.686 -3.768 1.00 0.45 H new ATOM 0 HB3 PHE A 80 -11.381 -6.260 -5.402 1.00 0.45 H new ATOM 0 HD1 PHE A 80 -12.325 -4.835 -2.114 1.00 0.89 H new ATOM 0 HD2 PHE A 80 -10.495 -4.087 -5.888 1.00 1.01 H new ATOM 0 HE1 PHE A 80 -11.502 -2.664 -1.300 1.00 1.19 H new ATOM 0 HE2 PHE A 80 -9.692 -1.924 -5.065 1.00 1.28 H new ATOM 0 HZ PHE A 80 -10.113 -1.232 -2.822 1.00 1.31 H new ATOM 1156 N SER A 81 -14.963 -7.303 -3.669 1.00 0.50 N ATOM 1157 CA SER A 81 -15.800 -7.630 -2.534 1.00 0.55 C ATOM 1158 C SER A 81 -14.920 -7.927 -1.329 1.00 0.52 C ATOM 1159 O SER A 81 -13.751 -8.293 -1.477 1.00 0.54 O ATOM 1160 CB SER A 81 -16.709 -8.823 -2.856 1.00 0.69 C ATOM 1161 OG SER A 81 -15.956 -9.985 -3.171 1.00 1.17 O ATOM 0 H SER A 81 -14.898 -8.037 -4.374 1.00 0.50 H new ATOM 0 HA SER A 81 -16.442 -6.780 -2.304 1.00 0.55 H new ATOM 0 HB2 SER A 81 -17.356 -9.028 -2.003 1.00 0.69 H new ATOM 0 HB3 SER A 81 -17.358 -8.571 -3.695 1.00 0.69 H new ATOM 0 HG SER A 81 -15.683 -9.953 -4.112 1.00 1.17 H new ATOM 1167 N SER A 82 -15.475 -7.747 -0.145 1.00 0.59 N ATOM 1168 CA SER A 82 -14.739 -7.969 1.084 1.00 0.63 C ATOM 1169 C SER A 82 -14.254 -9.417 1.159 1.00 0.59 C ATOM 1170 O SER A 82 -15.055 -10.350 1.224 1.00 0.63 O ATOM 1171 CB SER A 82 -15.634 -7.629 2.269 1.00 0.77 C ATOM 1172 OG SER A 82 -16.255 -6.367 2.069 1.00 1.19 O ATOM 0 H SER A 82 -16.440 -7.446 -0.009 1.00 0.59 H new ATOM 0 HA SER A 82 -13.860 -7.324 1.108 1.00 0.63 H new ATOM 0 HB2 SER A 82 -16.394 -8.401 2.393 1.00 0.77 H new ATOM 0 HB3 SER A 82 -15.045 -7.611 3.186 1.00 0.77 H new ATOM 0 HG SER A 82 -16.829 -6.160 2.836 1.00 1.19 H new ATOM 1178 N GLY A 83 -12.940 -9.594 1.123 1.00 0.58 N ATOM 1179 CA GLY A 83 -12.374 -10.926 1.120 1.00 0.62 C ATOM 1180 C GLY A 83 -11.658 -11.250 -0.178 1.00 0.64 C ATOM 1181 O GLY A 83 -11.143 -12.353 -0.352 1.00 0.79 O ATOM 0 H GLY A 83 -12.256 -8.837 1.096 1.00 0.58 H new ATOM 0 HA2 GLY A 83 -11.675 -11.022 1.951 1.00 0.62 H new ATOM 0 HA3 GLY A 83 -13.167 -11.655 1.285 1.00 0.62 H new ATOM 1185 N GLU A 84 -11.620 -10.289 -1.096 1.00 0.58 N ATOM 1186 CA GLU A 84 -10.933 -10.481 -2.370 1.00 0.62 C ATOM 1187 C GLU A 84 -9.477 -10.037 -2.292 1.00 0.58 C ATOM 1188 O GLU A 84 -8.828 -9.858 -3.324 1.00 0.87 O ATOM 1189 CB GLU A 84 -11.626 -9.706 -3.494 1.00 0.73 C ATOM 1190 CG GLU A 84 -12.813 -10.418 -4.118 1.00 1.17 C ATOM 1191 CD GLU A 84 -13.377 -9.656 -5.304 1.00 1.26 C ATOM 1192 OE1 GLU A 84 -12.621 -9.380 -6.260 1.00 1.55 O ATOM 1193 OE2 GLU A 84 -14.586 -9.338 -5.293 1.00 1.43 O ATOM 0 H GLU A 84 -12.055 -9.373 -0.983 1.00 0.58 H new ATOM 0 HA GLU A 84 -10.970 -11.548 -2.588 1.00 0.62 H new ATOM 0 HB2 GLU A 84 -11.961 -8.746 -3.102 1.00 0.73 H new ATOM 0 HB3 GLU A 84 -10.895 -9.494 -4.275 1.00 0.73 H new ATOM 0 HG2 GLU A 84 -12.510 -11.415 -4.439 1.00 1.17 H new ATOM 0 HG3 GLU A 84 -13.593 -10.548 -3.367 1.00 1.17 H new ATOM 1200 N MET A 85 -8.955 -9.852 -1.087 1.00 0.47 N ATOM 1201 CA MET A 85 -7.599 -9.365 -0.938 1.00 0.44 C ATOM 1202 C MET A 85 -6.785 -10.278 -0.040 1.00 0.47 C ATOM 1203 O MET A 85 -6.715 -11.486 -0.258 1.00 0.73 O ATOM 1204 CB MET A 85 -7.605 -7.940 -0.382 1.00 0.39 C ATOM 1205 CG MET A 85 -8.177 -6.918 -1.340 1.00 0.37 C ATOM 1206 SD MET A 85 -7.229 -6.825 -2.870 1.00 0.39 S ATOM 1207 CE MET A 85 -8.170 -5.607 -3.778 1.00 0.39 C ATOM 0 H MET A 85 -9.446 -10.030 -0.211 1.00 0.47 H new ATOM 0 HA MET A 85 -7.133 -9.358 -1.923 1.00 0.44 H new ATOM 0 HB2 MET A 85 -8.182 -7.922 0.542 1.00 0.39 H new ATOM 0 HB3 MET A 85 -6.585 -7.655 -0.126 1.00 0.39 H new ATOM 0 HG2 MET A 85 -9.211 -7.174 -1.569 1.00 0.37 H new ATOM 0 HG3 MET A 85 -8.190 -5.939 -0.861 1.00 0.37 H new ATOM 0 HE1 MET A 85 -8.012 -5.749 -4.847 1.00 0.39 H new ATOM 0 HE2 MET A 85 -9.230 -5.721 -3.549 1.00 0.39 H new ATOM 0 HE3 MET A 85 -7.843 -4.607 -3.492 1.00 0.39 H new ATOM 1217 N MET A 86 -6.176 -9.687 0.969 1.00 0.33 N ATOM 1218 CA MET A 86 -5.379 -10.419 1.928 1.00 0.35 C ATOM 1219 C MET A 86 -5.940 -10.151 3.307 1.00 0.40 C ATOM 1220 O MET A 86 -6.480 -9.067 3.537 1.00 0.76 O ATOM 1221 CB MET A 86 -3.917 -9.970 1.864 1.00 0.33 C ATOM 1222 CG MET A 86 -3.305 -10.080 0.475 1.00 0.43 C ATOM 1223 SD MET A 86 -1.636 -9.405 0.393 1.00 1.16 S ATOM 1224 CE MET A 86 -1.267 -9.651 -1.345 1.00 1.39 C ATOM 0 H MET A 86 -6.221 -8.683 1.146 1.00 0.33 H new ATOM 0 HA MET A 86 -5.415 -11.485 1.703 1.00 0.35 H new ATOM 0 HB2 MET A 86 -3.848 -8.936 2.201 1.00 0.33 H new ATOM 0 HB3 MET A 86 -3.330 -10.571 2.559 1.00 0.33 H new ATOM 0 HG2 MET A 86 -3.284 -11.127 0.174 1.00 0.43 H new ATOM 0 HG3 MET A 86 -3.940 -9.556 -0.239 1.00 0.43 H new ATOM 0 HE1 MET A 86 -0.264 -9.283 -1.560 1.00 1.39 H new ATOM 0 HE2 MET A 86 -1.322 -10.714 -1.582 1.00 1.39 H new ATOM 0 HE3 MET A 86 -1.991 -9.106 -1.951 1.00 1.39 H new ATOM 1234 N LYS A 87 -5.825 -11.111 4.211 1.00 0.32 N ATOM 1235 CA LYS A 87 -6.415 -10.979 5.539 1.00 0.32 C ATOM 1236 C LYS A 87 -6.054 -9.642 6.215 1.00 0.27 C ATOM 1237 O LYS A 87 -6.956 -8.890 6.586 1.00 0.27 O ATOM 1238 CB LYS A 87 -6.029 -12.165 6.432 1.00 0.37 C ATOM 1239 CG LYS A 87 -6.526 -12.037 7.864 1.00 0.97 C ATOM 1240 CD LYS A 87 -6.223 -13.284 8.679 1.00 1.46 C ATOM 1241 CE LYS A 87 -6.660 -13.123 10.126 1.00 2.00 C ATOM 1242 NZ LYS A 87 -8.096 -12.746 10.241 1.00 2.37 N ATOM 0 H LYS A 87 -5.330 -11.989 4.053 1.00 0.32 H new ATOM 0 HA LYS A 87 -7.497 -10.984 5.405 1.00 0.32 H new ATOM 0 HB2 LYS A 87 -6.429 -13.081 5.998 1.00 0.37 H new ATOM 0 HB3 LYS A 87 -4.944 -12.264 6.441 1.00 0.37 H new ATOM 0 HG2 LYS A 87 -6.059 -11.172 8.335 1.00 0.97 H new ATOM 0 HG3 LYS A 87 -7.601 -11.857 7.861 1.00 0.97 H new ATOM 0 HD2 LYS A 87 -6.731 -14.141 8.237 1.00 1.46 H new ATOM 0 HD3 LYS A 87 -5.154 -13.494 8.642 1.00 1.46 H new ATOM 0 HE2 LYS A 87 -6.487 -14.056 10.662 1.00 2.00 H new ATOM 0 HE3 LYS A 87 -6.046 -12.361 10.606 1.00 2.00 H new ATOM 0 HZ1 LYS A 87 -8.403 -12.845 11.230 1.00 2.37 H new ATOM 0 HZ2 LYS A 87 -8.221 -11.760 9.936 1.00 2.37 H new ATOM 0 HZ3 LYS A 87 -8.668 -13.370 9.637 1.00 2.37 H new ATOM 1256 N PRO A 88 -4.751 -9.292 6.354 1.00 0.26 N ATOM 1257 CA PRO A 88 -4.350 -8.061 7.048 1.00 0.25 C ATOM 1258 C PRO A 88 -4.578 -6.813 6.195 1.00 0.22 C ATOM 1259 O PRO A 88 -4.710 -5.703 6.712 1.00 0.25 O ATOM 1260 CB PRO A 88 -2.860 -8.278 7.302 1.00 0.27 C ATOM 1261 CG PRO A 88 -2.412 -9.139 6.176 1.00 0.27 C ATOM 1262 CD PRO A 88 -3.576 -10.033 5.841 1.00 0.27 C ATOM 0 HA PRO A 88 -4.931 -7.889 7.954 1.00 0.25 H new ATOM 0 HB2 PRO A 88 -2.318 -7.332 7.318 1.00 0.27 H new ATOM 0 HB3 PRO A 88 -2.688 -8.761 8.264 1.00 0.27 H new ATOM 0 HG2 PRO A 88 -2.125 -8.535 5.315 1.00 0.27 H new ATOM 0 HG3 PRO A 88 -1.539 -9.727 6.459 1.00 0.27 H new ATOM 0 HD2 PRO A 88 -3.651 -10.207 4.768 1.00 0.27 H new ATOM 0 HD3 PRO A 88 -3.480 -11.009 6.316 1.00 0.27 H new ATOM 1270 N PHE A 89 -4.635 -7.021 4.886 1.00 0.19 N ATOM 1271 CA PHE A 89 -4.850 -5.941 3.931 1.00 0.17 C ATOM 1272 C PHE A 89 -6.303 -5.484 3.998 1.00 0.18 C ATOM 1273 O PHE A 89 -6.585 -4.321 4.267 1.00 0.17 O ATOM 1274 CB PHE A 89 -4.501 -6.452 2.523 1.00 0.19 C ATOM 1275 CG PHE A 89 -4.645 -5.451 1.402 1.00 0.18 C ATOM 1276 CD1 PHE A 89 -5.882 -5.205 0.827 1.00 0.22 C ATOM 1277 CD2 PHE A 89 -3.537 -4.787 0.901 1.00 0.19 C ATOM 1278 CE1 PHE A 89 -6.013 -4.313 -0.222 1.00 0.22 C ATOM 1279 CE2 PHE A 89 -3.661 -3.899 -0.153 1.00 0.20 C ATOM 1280 CZ PHE A 89 -4.903 -3.661 -0.714 1.00 0.19 C ATOM 0 H PHE A 89 -4.534 -7.941 4.457 1.00 0.19 H new ATOM 0 HA PHE A 89 -4.213 -5.089 4.169 1.00 0.17 H new ATOM 0 HB2 PHE A 89 -3.472 -6.811 2.533 1.00 0.19 H new ATOM 0 HB3 PHE A 89 -5.136 -7.310 2.301 1.00 0.19 H new ATOM 0 HD1 PHE A 89 -6.755 -5.717 1.203 1.00 0.22 H new ATOM 0 HD2 PHE A 89 -2.565 -4.964 1.338 1.00 0.19 H new ATOM 0 HE1 PHE A 89 -6.985 -4.128 -0.655 1.00 0.22 H new ATOM 0 HE2 PHE A 89 -2.788 -3.392 -0.538 1.00 0.20 H new ATOM 0 HZ PHE A 89 -5.002 -2.966 -1.535 1.00 0.19 H new ATOM 1290 N GLU A 90 -7.214 -6.433 3.797 1.00 0.21 N ATOM 1291 CA GLU A 90 -8.649 -6.167 3.827 1.00 0.24 C ATOM 1292 C GLU A 90 -9.059 -5.714 5.219 1.00 0.25 C ATOM 1293 O GLU A 90 -9.957 -4.887 5.379 1.00 0.27 O ATOM 1294 CB GLU A 90 -9.408 -7.432 3.429 1.00 0.29 C ATOM 1295 CG GLU A 90 -10.870 -7.213 3.064 1.00 0.34 C ATOM 1296 CD GLU A 90 -11.828 -7.786 4.094 1.00 1.41 C ATOM 1297 OE1 GLU A 90 -11.943 -9.028 4.176 1.00 2.12 O ATOM 1298 OE2 GLU A 90 -12.477 -7.005 4.815 1.00 1.78 O ATOM 0 H GLU A 90 -6.978 -7.407 3.609 1.00 0.21 H new ATOM 0 HA GLU A 90 -8.890 -5.373 3.120 1.00 0.24 H new ATOM 0 HB2 GLU A 90 -8.901 -7.891 2.580 1.00 0.29 H new ATOM 0 HB3 GLU A 90 -9.357 -8.144 4.253 1.00 0.29 H new ATOM 0 HG2 GLU A 90 -11.056 -6.144 2.957 1.00 0.34 H new ATOM 0 HG3 GLU A 90 -11.070 -7.670 2.095 1.00 0.34 H new ATOM 1305 N ASP A 91 -8.375 -6.264 6.219 1.00 0.25 N ATOM 1306 CA ASP A 91 -8.566 -5.865 7.613 1.00 0.29 C ATOM 1307 C ASP A 91 -8.437 -4.357 7.774 1.00 0.25 C ATOM 1308 O ASP A 91 -9.173 -3.742 8.540 1.00 0.30 O ATOM 1309 CB ASP A 91 -7.551 -6.573 8.518 1.00 0.35 C ATOM 1310 CG ASP A 91 -7.567 -6.054 9.944 1.00 0.48 C ATOM 1311 OD1 ASP A 91 -8.613 -6.189 10.615 1.00 0.61 O ATOM 1312 OD2 ASP A 91 -6.543 -5.508 10.406 1.00 0.54 O ATOM 0 H ASP A 91 -7.676 -6.995 6.088 1.00 0.25 H new ATOM 0 HA ASP A 91 -9.573 -6.159 7.908 1.00 0.29 H new ATOM 0 HB2 ASP A 91 -7.761 -7.643 8.524 1.00 0.35 H new ATOM 0 HB3 ASP A 91 -6.551 -6.447 8.102 1.00 0.35 H new ATOM 1317 N ALA A 92 -7.514 -3.763 7.036 1.00 0.20 N ATOM 1318 CA ALA A 92 -7.316 -2.326 7.090 1.00 0.19 C ATOM 1319 C ALA A 92 -8.330 -1.604 6.210 1.00 0.18 C ATOM 1320 O ALA A 92 -8.830 -0.546 6.575 1.00 0.21 O ATOM 1321 CB ALA A 92 -5.903 -1.971 6.671 1.00 0.22 C ATOM 0 H ALA A 92 -6.891 -4.253 6.394 1.00 0.20 H new ATOM 0 HA ALA A 92 -7.467 -2.000 8.119 1.00 0.19 H new ATOM 0 HB1 ALA A 92 -5.771 -0.890 6.717 1.00 0.22 H new ATOM 0 HB2 ALA A 92 -5.192 -2.452 7.343 1.00 0.22 H new ATOM 0 HB3 ALA A 92 -5.729 -2.315 5.652 1.00 0.22 H new ATOM 1327 N VAL A 93 -8.659 -2.205 5.071 1.00 0.18 N ATOM 1328 CA VAL A 93 -9.574 -1.592 4.108 1.00 0.19 C ATOM 1329 C VAL A 93 -10.964 -1.424 4.716 1.00 0.19 C ATOM 1330 O VAL A 93 -11.624 -0.403 4.528 1.00 0.20 O ATOM 1331 CB VAL A 93 -9.701 -2.429 2.813 1.00 0.21 C ATOM 1332 CG1 VAL A 93 -10.412 -1.637 1.735 1.00 0.25 C ATOM 1333 CG2 VAL A 93 -8.342 -2.896 2.317 1.00 0.21 C ATOM 0 H VAL A 93 -8.305 -3.119 4.789 1.00 0.18 H new ATOM 0 HA VAL A 93 -9.153 -0.618 3.857 1.00 0.19 H new ATOM 0 HB VAL A 93 -10.293 -3.313 3.048 1.00 0.21 H new ATOM 0 HG11 VAL A 93 -10.492 -2.242 0.832 1.00 0.25 H new ATOM 0 HG12 VAL A 93 -11.410 -1.367 2.080 1.00 0.25 H new ATOM 0 HG13 VAL A 93 -9.846 -0.731 1.516 1.00 0.25 H new ATOM 0 HG21 VAL A 93 -8.469 -3.481 1.406 1.00 0.21 H new ATOM 0 HG22 VAL A 93 -7.714 -2.030 2.108 1.00 0.21 H new ATOM 0 HG23 VAL A 93 -7.868 -3.512 3.081 1.00 0.21 H new ATOM 1343 N ARG A 94 -11.399 -2.439 5.449 1.00 0.23 N ATOM 1344 CA ARG A 94 -12.697 -2.412 6.113 1.00 0.27 C ATOM 1345 C ARG A 94 -12.641 -1.538 7.360 1.00 0.25 C ATOM 1346 O ARG A 94 -13.669 -1.092 7.869 1.00 0.32 O ATOM 1347 CB ARG A 94 -13.096 -3.831 6.514 1.00 0.41 C ATOM 1348 CG ARG A 94 -12.193 -4.402 7.594 1.00 0.59 C ATOM 1349 CD ARG A 94 -12.417 -5.882 7.814 1.00 1.03 C ATOM 1350 NE ARG A 94 -11.475 -6.415 8.795 1.00 0.98 N ATOM 1351 CZ ARG A 94 -11.160 -7.708 8.904 1.00 1.69 C ATOM 1352 NH1 ARG A 94 -11.734 -8.605 8.116 1.00 2.59 N ATOM 1353 NH2 ARG A 94 -10.264 -8.103 9.798 1.00 1.70 N ATOM 0 H ARG A 94 -10.869 -3.297 5.600 1.00 0.23 H new ATOM 0 HA ARG A 94 -13.432 -1.999 5.422 1.00 0.27 H new ATOM 0 HB2 ARG A 94 -14.127 -3.829 6.869 1.00 0.41 H new ATOM 0 HB3 ARG A 94 -13.062 -4.477 5.637 1.00 0.41 H new ATOM 0 HG2 ARG A 94 -11.152 -4.232 7.320 1.00 0.59 H new ATOM 0 HG3 ARG A 94 -12.367 -3.869 8.528 1.00 0.59 H new ATOM 0 HD2 ARG A 94 -13.438 -6.052 8.156 1.00 1.03 H new ATOM 0 HD3 ARG A 94 -12.304 -6.415 6.870 1.00 1.03 H new ATOM 0 HE ARG A 94 -11.030 -5.759 9.437 1.00 0.98 H new ATOM 0 HH11 ARG A 94 -12.420 -8.309 7.422 1.00 2.59 H new ATOM 0 HH12 ARG A 94 -11.490 -9.591 8.204 1.00 2.59 H new ATOM 0 HH21 ARG A 94 -9.813 -7.418 10.405 1.00 1.70 H new ATOM 0 HH22 ARG A 94 -10.026 -9.091 9.879 1.00 1.70 H new ATOM 1367 N ALA A 95 -11.430 -1.287 7.838 1.00 0.23 N ATOM 1368 CA ALA A 95 -11.241 -0.602 9.105 1.00 0.25 C ATOM 1369 C ALA A 95 -11.333 0.909 8.940 1.00 0.26 C ATOM 1370 O ALA A 95 -11.326 1.656 9.921 1.00 0.47 O ATOM 1371 CB ALA A 95 -9.910 -1.001 9.720 1.00 0.26 C ATOM 0 H ALA A 95 -10.565 -1.548 7.366 1.00 0.23 H new ATOM 0 HA ALA A 95 -12.043 -0.904 9.779 1.00 0.25 H new ATOM 0 HB1 ALA A 95 -9.778 -0.482 10.669 1.00 0.26 H new ATOM 0 HB2 ALA A 95 -9.896 -2.078 9.890 1.00 0.26 H new ATOM 0 HB3 ALA A 95 -9.100 -0.730 9.043 1.00 0.26 H new ATOM 1377 N LEU A 96 -11.441 1.355 7.700 1.00 0.19 N ATOM 1378 CA LEU A 96 -11.528 2.779 7.409 1.00 0.19 C ATOM 1379 C LEU A 96 -12.641 3.071 6.421 1.00 0.21 C ATOM 1380 O LEU A 96 -13.114 2.181 5.711 1.00 0.28 O ATOM 1381 CB LEU A 96 -10.191 3.307 6.880 1.00 0.28 C ATOM 1382 CG LEU A 96 -9.358 2.329 6.064 1.00 0.15 C ATOM 1383 CD1 LEU A 96 -9.836 2.284 4.626 1.00 0.27 C ATOM 1384 CD2 LEU A 96 -7.899 2.716 6.131 1.00 0.28 C ATOM 0 H LEU A 96 -11.471 0.753 6.877 1.00 0.19 H new ATOM 0 HA LEU A 96 -11.760 3.294 8.341 1.00 0.19 H new ATOM 0 HB2 LEU A 96 -10.389 4.185 6.265 1.00 0.28 H new ATOM 0 HB3 LEU A 96 -9.594 3.640 7.729 1.00 0.28 H new ATOM 0 HG LEU A 96 -9.476 1.331 6.487 1.00 0.15 H new ATOM 0 HD11 LEU A 96 -9.226 1.579 4.062 1.00 0.27 H new ATOM 0 HD12 LEU A 96 -10.878 1.966 4.599 1.00 0.27 H new ATOM 0 HD13 LEU A 96 -9.748 3.276 4.182 1.00 0.27 H new ATOM 0 HD21 LEU A 96 -7.309 2.012 5.545 1.00 0.28 H new ATOM 0 HD22 LEU A 96 -7.770 3.721 5.729 1.00 0.28 H new ATOM 0 HD23 LEU A 96 -7.564 2.695 7.168 1.00 0.28 H new ATOM 1396 N LYS A 97 -13.068 4.322 6.393 1.00 0.24 N ATOM 1397 CA LYS A 97 -14.095 4.747 5.471 1.00 0.31 C ATOM 1398 C LYS A 97 -13.455 5.496 4.308 1.00 0.28 C ATOM 1399 O LYS A 97 -12.236 5.667 4.270 1.00 0.25 O ATOM 1400 CB LYS A 97 -15.123 5.640 6.173 1.00 0.42 C ATOM 1401 CG LYS A 97 -16.484 5.625 5.501 1.00 0.62 C ATOM 1402 CD LYS A 97 -17.387 6.717 6.025 1.00 0.97 C ATOM 1403 CE LYS A 97 -18.666 6.788 5.212 1.00 1.02 C ATOM 1404 NZ LYS A 97 -19.531 5.603 5.443 1.00 1.61 N ATOM 0 H LYS A 97 -12.715 5.060 7.002 1.00 0.24 H new ATOM 0 HA LYS A 97 -14.615 3.866 5.094 1.00 0.31 H new ATOM 0 HB2 LYS A 97 -15.232 5.314 7.207 1.00 0.42 H new ATOM 0 HB3 LYS A 97 -14.749 6.663 6.199 1.00 0.42 H new ATOM 0 HG2 LYS A 97 -16.358 5.744 4.425 1.00 0.62 H new ATOM 0 HG3 LYS A 97 -16.957 4.656 5.661 1.00 0.62 H new ATOM 0 HD2 LYS A 97 -17.625 6.528 7.072 1.00 0.97 H new ATOM 0 HD3 LYS A 97 -16.870 7.675 5.983 1.00 0.97 H new ATOM 0 HE2 LYS A 97 -19.213 7.694 5.473 1.00 1.02 H new ATOM 0 HE3 LYS A 97 -18.420 6.858 4.152 1.00 1.02 H new ATOM 0 HZ1 LYS A 97 -20.431 5.727 4.937 1.00 1.61 H new ATOM 0 HZ2 LYS A 97 -19.051 4.749 5.092 1.00 1.61 H new ATOM 0 HZ3 LYS A 97 -19.717 5.502 6.461 1.00 1.61 H new ATOM 1418 N ILE A 98 -14.277 5.920 3.361 1.00 0.32 N ATOM 1419 CA ILE A 98 -13.822 6.678 2.209 1.00 0.32 C ATOM 1420 C ILE A 98 -13.014 7.899 2.638 1.00 0.32 C ATOM 1421 O ILE A 98 -13.512 8.763 3.361 1.00 0.37 O ATOM 1422 CB ILE A 98 -15.023 7.138 1.357 1.00 0.38 C ATOM 1423 CG1 ILE A 98 -15.999 5.970 1.153 1.00 0.41 C ATOM 1424 CG2 ILE A 98 -14.544 7.696 0.025 1.00 0.50 C ATOM 1425 CD1 ILE A 98 -17.113 6.255 0.169 1.00 0.90 C ATOM 0 H ILE A 98 -15.282 5.747 3.371 1.00 0.32 H new ATOM 0 HA ILE A 98 -13.183 6.023 1.616 1.00 0.32 H new ATOM 0 HB ILE A 98 -15.550 7.935 1.882 1.00 0.38 H new ATOM 0 HG12 ILE A 98 -15.440 5.100 0.809 1.00 0.41 H new ATOM 0 HG13 ILE A 98 -16.438 5.706 2.115 1.00 0.41 H new ATOM 0 HG21 ILE A 98 -15.403 8.016 -0.565 1.00 0.50 H new ATOM 0 HG22 ILE A 98 -13.887 8.548 0.202 1.00 0.50 H new ATOM 0 HG23 ILE A 98 -13.998 6.924 -0.518 1.00 0.50 H new ATOM 0 HD11 ILE A 98 -17.756 5.379 0.084 1.00 0.90 H new ATOM 0 HD12 ILE A 98 -17.700 7.104 0.520 1.00 0.90 H new ATOM 0 HD13 ILE A 98 -16.686 6.488 -0.807 1.00 0.90 H new ATOM 1437 N GLY A 99 -11.760 7.946 2.214 1.00 0.30 N ATOM 1438 CA GLY A 99 -10.913 9.079 2.526 1.00 0.32 C ATOM 1439 C GLY A 99 -9.936 8.798 3.650 1.00 0.32 C ATOM 1440 O GLY A 99 -9.026 9.590 3.895 1.00 0.46 O ATOM 0 H GLY A 99 -11.312 7.218 1.658 1.00 0.30 H new ATOM 0 HA2 GLY A 99 -10.358 9.367 1.633 1.00 0.32 H new ATOM 0 HA3 GLY A 99 -11.539 9.928 2.800 1.00 0.32 H new ATOM 1444 N ASP A 100 -10.105 7.672 4.330 1.00 0.21 N ATOM 1445 CA ASP A 100 -9.246 7.340 5.457 1.00 0.19 C ATOM 1446 C ASP A 100 -8.141 6.393 5.020 1.00 0.15 C ATOM 1447 O ASP A 100 -8.374 5.480 4.227 1.00 0.15 O ATOM 1448 CB ASP A 100 -10.054 6.715 6.592 1.00 0.22 C ATOM 1449 CG ASP A 100 -10.996 7.693 7.264 1.00 0.32 C ATOM 1450 OD1 ASP A 100 -10.526 8.764 7.698 1.00 0.46 O ATOM 1451 OD2 ASP A 100 -12.206 7.397 7.366 1.00 0.37 O ATOM 0 H ASP A 100 -10.823 6.978 4.123 1.00 0.21 H new ATOM 0 HA ASP A 100 -8.796 8.263 5.823 1.00 0.19 H new ATOM 0 HB2 ASP A 100 -10.630 5.877 6.200 1.00 0.22 H new ATOM 0 HB3 ASP A 100 -9.369 6.310 7.337 1.00 0.22 H new ATOM 1456 N ILE A 101 -6.940 6.619 5.538 1.00 0.18 N ATOM 1457 CA ILE A 101 -5.770 5.830 5.168 1.00 0.16 C ATOM 1458 C ILE A 101 -5.313 4.963 6.346 1.00 0.16 C ATOM 1459 O ILE A 101 -5.522 5.315 7.507 1.00 0.18 O ATOM 1460 CB ILE A 101 -4.602 6.746 4.733 1.00 0.19 C ATOM 1461 CG1 ILE A 101 -5.064 7.758 3.680 1.00 0.23 C ATOM 1462 CG2 ILE A 101 -3.454 5.917 4.174 1.00 0.19 C ATOM 1463 CD1 ILE A 101 -4.307 9.063 3.726 1.00 0.21 C ATOM 0 H ILE A 101 -6.749 7.350 6.223 1.00 0.18 H new ATOM 0 HA ILE A 101 -6.053 5.190 4.332 1.00 0.16 H new ATOM 0 HB ILE A 101 -4.257 7.288 5.614 1.00 0.19 H new ATOM 0 HG12 ILE A 101 -4.952 7.317 2.690 1.00 0.23 H new ATOM 0 HG13 ILE A 101 -6.126 7.958 3.821 1.00 0.23 H new ATOM 0 HG21 ILE A 101 -2.641 6.578 3.873 1.00 0.19 H new ATOM 0 HG22 ILE A 101 -3.097 5.227 4.939 1.00 0.19 H new ATOM 0 HG23 ILE A 101 -3.801 5.351 3.309 1.00 0.19 H new ATOM 0 HD11 ILE A 101 -4.687 9.731 2.953 1.00 0.21 H new ATOM 0 HD12 ILE A 101 -4.440 9.526 4.704 1.00 0.21 H new ATOM 0 HD13 ILE A 101 -3.247 8.875 3.554 1.00 0.21 H new ATOM 1475 N SER A 102 -4.696 3.833 6.030 1.00 0.16 N ATOM 1476 CA SER A 102 -4.224 2.887 7.033 1.00 0.19 C ATOM 1477 C SER A 102 -2.828 3.259 7.516 1.00 0.18 C ATOM 1478 O SER A 102 -2.086 3.954 6.818 1.00 0.22 O ATOM 1479 CB SER A 102 -4.161 1.476 6.436 1.00 0.25 C ATOM 1480 OG SER A 102 -5.355 1.138 5.762 1.00 0.92 O ATOM 0 H SER A 102 -4.508 3.545 5.070 1.00 0.16 H new ATOM 0 HA SER A 102 -4.921 2.917 7.870 1.00 0.19 H new ATOM 0 HB2 SER A 102 -3.322 1.412 5.743 1.00 0.25 H new ATOM 0 HB3 SER A 102 -3.975 0.753 7.230 1.00 0.25 H new ATOM 0 HG SER A 102 -5.358 1.553 4.874 1.00 0.92 H new ATOM 1486 N PRO A 103 -2.462 2.810 8.724 1.00 0.21 N ATOM 1487 CA PRO A 103 -1.078 2.845 9.187 1.00 0.23 C ATOM 1488 C PRO A 103 -0.271 1.735 8.519 1.00 0.20 C ATOM 1489 O PRO A 103 -0.828 0.952 7.747 1.00 0.27 O ATOM 1490 CB PRO A 103 -1.203 2.599 10.690 1.00 0.31 C ATOM 1491 CG PRO A 103 -2.447 1.792 10.837 1.00 0.34 C ATOM 1492 CD PRO A 103 -3.373 2.245 9.740 1.00 0.28 C ATOM 0 HA PRO A 103 -0.565 3.778 8.953 1.00 0.23 H new ATOM 0 HB2 PRO A 103 -0.336 2.065 11.078 1.00 0.31 H new ATOM 0 HB3 PRO A 103 -1.272 3.537 11.241 1.00 0.31 H new ATOM 0 HG2 PRO A 103 -2.233 0.727 10.750 1.00 0.34 H new ATOM 0 HG3 PRO A 103 -2.899 1.948 11.817 1.00 0.34 H new ATOM 0 HD2 PRO A 103 -3.955 1.415 9.339 1.00 0.28 H new ATOM 0 HD3 PRO A 103 -4.084 2.989 10.098 1.00 0.28 H new ATOM 1500 N ILE A 104 1.029 1.682 8.786 1.00 0.17 N ATOM 1501 CA ILE A 104 1.882 0.623 8.235 1.00 0.15 C ATOM 1502 C ILE A 104 1.309 -0.768 8.513 1.00 0.14 C ATOM 1503 O ILE A 104 1.314 -1.242 9.651 1.00 0.20 O ATOM 1504 CB ILE A 104 3.316 0.669 8.805 1.00 0.15 C ATOM 1505 CG1 ILE A 104 3.874 2.093 8.759 1.00 0.17 C ATOM 1506 CG2 ILE A 104 4.220 -0.287 8.033 1.00 0.15 C ATOM 1507 CD1 ILE A 104 3.813 2.732 7.391 1.00 0.17 C ATOM 0 H ILE A 104 1.518 2.354 9.377 1.00 0.17 H new ATOM 0 HA ILE A 104 1.913 0.806 7.161 1.00 0.15 H new ATOM 0 HB ILE A 104 3.283 0.353 9.848 1.00 0.15 H new ATOM 0 HG12 ILE A 104 3.319 2.713 9.463 1.00 0.17 H new ATOM 0 HG13 ILE A 104 4.911 2.077 9.096 1.00 0.17 H new ATOM 0 HG21 ILE A 104 5.229 -0.246 8.444 1.00 0.15 H new ATOM 0 HG22 ILE A 104 3.834 -1.303 8.120 1.00 0.15 H new ATOM 0 HG23 ILE A 104 4.244 0.003 6.983 1.00 0.15 H new ATOM 0 HD11 ILE A 104 4.227 3.739 7.441 1.00 0.17 H new ATOM 0 HD12 ILE A 104 4.392 2.137 6.685 1.00 0.17 H new ATOM 0 HD13 ILE A 104 2.776 2.782 7.059 1.00 0.17 H new ATOM 1519 N VAL A 105 0.809 -1.410 7.469 1.00 0.13 N ATOM 1520 CA VAL A 105 0.313 -2.773 7.564 1.00 0.15 C ATOM 1521 C VAL A 105 1.268 -3.725 6.858 1.00 0.15 C ATOM 1522 O VAL A 105 1.466 -3.633 5.645 1.00 0.17 O ATOM 1523 CB VAL A 105 -1.098 -2.906 6.942 1.00 0.21 C ATOM 1524 CG1 VAL A 105 -1.543 -4.362 6.883 1.00 1.04 C ATOM 1525 CG2 VAL A 105 -2.099 -2.079 7.730 1.00 1.04 C ATOM 0 H VAL A 105 0.736 -1.003 6.537 1.00 0.13 H new ATOM 0 HA VAL A 105 0.248 -3.030 8.621 1.00 0.15 H new ATOM 0 HB VAL A 105 -1.052 -2.529 5.920 1.00 0.21 H new ATOM 0 HG11 VAL A 105 -2.538 -4.421 6.441 1.00 1.04 H new ATOM 0 HG12 VAL A 105 -0.841 -4.933 6.275 1.00 1.04 H new ATOM 0 HG13 VAL A 105 -1.569 -4.776 7.891 1.00 1.04 H new ATOM 0 HG21 VAL A 105 -3.088 -2.181 7.282 1.00 1.04 H new ATOM 0 HG22 VAL A 105 -2.130 -2.430 8.761 1.00 1.04 H new ATOM 0 HG23 VAL A 105 -1.799 -1.031 7.713 1.00 1.04 H new ATOM 1535 N GLN A 106 1.878 -4.624 7.614 1.00 0.18 N ATOM 1536 CA GLN A 106 2.763 -5.608 7.027 1.00 0.20 C ATOM 1537 C GLN A 106 1.967 -6.815 6.552 1.00 0.23 C ATOM 1538 O GLN A 106 1.016 -7.249 7.204 1.00 0.29 O ATOM 1539 CB GLN A 106 3.843 -6.050 8.011 1.00 0.24 C ATOM 1540 CG GLN A 106 4.837 -4.961 8.373 1.00 0.25 C ATOM 1541 CD GLN A 106 6.097 -5.527 8.998 1.00 0.30 C ATOM 1542 OE1 GLN A 106 7.067 -5.863 8.161 1.00 0.55 O flip ATOM 1543 NE2 GLN A 106 6.195 -5.669 10.215 1.00 0.28 N flip ATOM 0 H GLN A 106 1.776 -4.690 8.627 1.00 0.18 H new ATOM 0 HA GLN A 106 3.256 -5.142 6.174 1.00 0.20 H new ATOM 0 HB2 GLN A 106 3.364 -6.407 8.923 1.00 0.24 H new ATOM 0 HB3 GLN A 106 4.385 -6.894 7.584 1.00 0.24 H new ATOM 0 HG2 GLN A 106 5.098 -4.397 7.478 1.00 0.25 H new ATOM 0 HG3 GLN A 106 4.371 -4.261 9.067 1.00 0.25 H new ATOM 0 HE21 GLN A 106 5.423 -5.397 10.824 1.00 0.28 H new ATOM 0 HE22 GLN A 106 7.048 -6.059 10.616 1.00 0.28 H new ATOM 1552 N THR A 107 2.360 -7.339 5.411 1.00 0.22 N ATOM 1553 CA THR A 107 1.675 -8.460 4.801 1.00 0.27 C ATOM 1554 C THR A 107 2.603 -9.660 4.680 1.00 0.34 C ATOM 1555 O THR A 107 3.717 -9.641 5.209 1.00 0.37 O ATOM 1556 CB THR A 107 1.136 -8.079 3.412 1.00 0.26 C ATOM 1557 OG1 THR A 107 2.130 -7.337 2.691 1.00 0.22 O ATOM 1558 CG2 THR A 107 -0.141 -7.258 3.532 1.00 0.27 C ATOM 0 H THR A 107 3.162 -7.001 4.880 1.00 0.22 H new ATOM 0 HA THR A 107 0.836 -8.727 5.444 1.00 0.27 H new ATOM 0 HB THR A 107 0.904 -8.995 2.869 1.00 0.26 H new ATOM 0 HG1 THR A 107 1.707 -6.576 2.240 1.00 0.22 H new ATOM 0 HG21 THR A 107 -0.503 -7.001 2.537 1.00 0.27 H new ATOM 0 HG22 THR A 107 -0.900 -7.840 4.055 1.00 0.27 H new ATOM 0 HG23 THR A 107 0.065 -6.345 4.091 1.00 0.27 H new ATOM 1566 N ASP A 108 2.150 -10.698 3.996 1.00 0.40 N ATOM 1567 CA ASP A 108 2.953 -11.898 3.801 1.00 0.49 C ATOM 1568 C ASP A 108 4.207 -11.591 2.994 1.00 0.45 C ATOM 1569 O ASP A 108 5.277 -12.135 3.269 1.00 0.53 O ATOM 1570 CB ASP A 108 2.134 -12.992 3.113 1.00 0.60 C ATOM 1571 CG ASP A 108 1.133 -13.637 4.048 1.00 1.37 C ATOM 1572 OD1 ASP A 108 0.080 -13.018 4.317 1.00 1.67 O ATOM 1573 OD2 ASP A 108 1.386 -14.768 4.518 1.00 2.16 O ATOM 0 H ASP A 108 1.227 -10.735 3.564 1.00 0.40 H new ATOM 0 HA ASP A 108 3.258 -12.258 4.783 1.00 0.49 H new ATOM 0 HB2 ASP A 108 1.607 -12.565 2.259 1.00 0.60 H new ATOM 0 HB3 ASP A 108 2.807 -13.755 2.723 1.00 0.60 H new ATOM 1578 N SER A 109 4.084 -10.710 2.009 1.00 0.39 N ATOM 1579 CA SER A 109 5.228 -10.341 1.195 1.00 0.43 C ATOM 1580 C SER A 109 5.911 -9.104 1.765 1.00 0.53 C ATOM 1581 O SER A 109 7.047 -9.189 2.213 1.00 1.09 O ATOM 1582 CB SER A 109 4.782 -10.094 -0.254 1.00 0.47 C ATOM 1583 OG SER A 109 5.888 -10.056 -1.144 1.00 0.60 O ATOM 0 H SER A 109 3.212 -10.244 1.759 1.00 0.39 H new ATOM 0 HA SER A 109 5.947 -11.160 1.205 1.00 0.43 H new ATOM 0 HB2 SER A 109 4.094 -10.881 -0.562 1.00 0.47 H new ATOM 0 HB3 SER A 109 4.236 -9.152 -0.311 1.00 0.47 H new ATOM 0 HG SER A 109 6.722 -10.099 -0.631 1.00 0.60 H new ATOM 1589 N GLY A 110 5.213 -7.977 1.838 1.00 0.22 N ATOM 1590 CA GLY A 110 5.880 -6.766 2.250 1.00 0.19 C ATOM 1591 C GLY A 110 5.009 -5.836 3.058 1.00 0.16 C ATOM 1592 O GLY A 110 4.343 -6.249 4.005 1.00 0.24 O ATOM 0 H GLY A 110 4.220 -7.884 1.624 1.00 0.22 H new ATOM 0 HA2 GLY A 110 6.759 -7.029 2.839 1.00 0.19 H new ATOM 0 HA3 GLY A 110 6.235 -6.239 1.365 1.00 0.19 H new ATOM 1596 N LEU A 111 5.004 -4.582 2.659 1.00 0.12 N ATOM 1597 CA LEU A 111 4.362 -3.518 3.422 1.00 0.11 C ATOM 1598 C LEU A 111 3.246 -2.869 2.624 1.00 0.11 C ATOM 1599 O LEU A 111 3.334 -2.757 1.400 1.00 0.13 O ATOM 1600 CB LEU A 111 5.394 -2.457 3.799 1.00 0.12 C ATOM 1601 CG LEU A 111 5.998 -2.570 5.199 1.00 0.14 C ATOM 1602 CD1 LEU A 111 6.610 -3.942 5.432 1.00 0.15 C ATOM 1603 CD2 LEU A 111 7.043 -1.490 5.390 1.00 0.19 C ATOM 0 H LEU A 111 5.444 -4.265 1.795 1.00 0.12 H new ATOM 0 HA LEU A 111 3.935 -3.959 4.323 1.00 0.11 H new ATOM 0 HB2 LEU A 111 6.205 -2.495 3.072 1.00 0.12 H new ATOM 0 HB3 LEU A 111 4.927 -1.476 3.705 1.00 0.12 H new ATOM 0 HG LEU A 111 5.199 -2.437 5.928 1.00 0.14 H new ATOM 0 HD11 LEU A 111 7.030 -3.987 6.437 1.00 0.15 H new ATOM 0 HD12 LEU A 111 5.840 -4.707 5.326 1.00 0.15 H new ATOM 0 HD13 LEU A 111 7.399 -4.117 4.701 1.00 0.15 H new ATOM 0 HD21 LEU A 111 7.473 -1.572 6.388 1.00 0.19 H new ATOM 0 HD22 LEU A 111 7.830 -1.609 4.645 1.00 0.19 H new ATOM 0 HD23 LEU A 111 6.579 -0.510 5.274 1.00 0.19 H new ATOM 1615 N HIS A 112 2.199 -2.442 3.315 1.00 0.11 N ATOM 1616 CA HIS A 112 1.066 -1.804 2.663 1.00 0.12 C ATOM 1617 C HIS A 112 0.467 -0.697 3.514 1.00 0.14 C ATOM 1618 O HIS A 112 0.412 -0.797 4.737 1.00 0.22 O ATOM 1619 CB HIS A 112 -0.047 -2.814 2.377 1.00 0.14 C ATOM 1620 CG HIS A 112 0.247 -3.768 1.271 1.00 0.16 C ATOM 1621 ND1 HIS A 112 0.850 -4.973 1.287 1.00 0.19 N flip ATOM 1622 CD2 HIS A 112 -0.130 -3.543 -0.035 1.00 0.18 C flip ATOM 1623 CE1 HIS A 112 0.819 -5.459 0.006 1.00 0.22 C flip ATOM 1624 NE2 HIS A 112 0.222 -4.580 -0.772 1.00 0.21 N flip ATOM 0 H HIS A 112 2.111 -2.526 4.328 1.00 0.11 H new ATOM 0 HA HIS A 112 1.454 -1.385 1.734 1.00 0.12 H new ATOM 0 HB2 HIS A 112 -0.245 -3.382 3.286 1.00 0.14 H new ATOM 0 HB3 HIS A 112 -0.960 -2.269 2.136 1.00 0.14 H new ATOM 0 HD2 HIS A 112 -0.633 -2.659 -0.398 1.00 0.18 H new ATOM 0 HE1 HIS A 112 1.220 -6.410 -0.314 1.00 0.22 H new ATOM 0 HE2 HIS A 112 0.059 -4.683 -1.774 1.00 0.21 H new ATOM 1633 N ILE A 113 0.048 0.364 2.851 1.00 0.12 N ATOM 1634 CA ILE A 113 -0.908 1.299 3.413 1.00 0.13 C ATOM 1635 C ILE A 113 -2.060 1.428 2.434 1.00 0.12 C ATOM 1636 O ILE A 113 -1.841 1.485 1.222 1.00 0.14 O ATOM 1637 CB ILE A 113 -0.307 2.691 3.686 1.00 0.14 C ATOM 1638 CG1 ILE A 113 0.513 3.157 2.485 1.00 0.15 C ATOM 1639 CG2 ILE A 113 0.545 2.657 4.945 1.00 0.15 C ATOM 1640 CD1 ILE A 113 0.547 4.652 2.306 1.00 0.17 C ATOM 0 H ILE A 113 0.360 0.602 1.909 1.00 0.12 H new ATOM 0 HA ILE A 113 -1.235 0.911 4.378 1.00 0.13 H new ATOM 0 HB ILE A 113 -1.118 3.403 3.842 1.00 0.14 H new ATOM 0 HG12 ILE A 113 1.534 2.791 2.592 1.00 0.15 H new ATOM 0 HG13 ILE A 113 0.105 2.703 1.582 1.00 0.15 H new ATOM 0 HG21 ILE A 113 0.964 3.646 5.127 1.00 0.15 H new ATOM 0 HG22 ILE A 113 -0.072 2.362 5.794 1.00 0.15 H new ATOM 0 HG23 ILE A 113 1.354 1.938 4.817 1.00 0.15 H new ATOM 0 HD11 ILE A 113 1.149 4.900 1.432 1.00 0.17 H new ATOM 0 HD12 ILE A 113 -0.468 5.025 2.165 1.00 0.17 H new ATOM 0 HD13 ILE A 113 0.984 5.115 3.191 1.00 0.17 H new ATOM 1652 N ILE A 114 -3.279 1.416 2.938 1.00 0.11 N ATOM 1653 CA ILE A 114 -4.443 1.454 2.073 1.00 0.11 C ATOM 1654 C ILE A 114 -5.394 2.560 2.512 1.00 0.11 C ATOM 1655 O ILE A 114 -5.556 2.802 3.702 1.00 0.12 O ATOM 1656 CB ILE A 114 -5.213 0.105 2.069 1.00 0.12 C ATOM 1657 CG1 ILE A 114 -4.262 -1.096 1.950 1.00 0.15 C ATOM 1658 CG2 ILE A 114 -6.212 0.079 0.928 1.00 0.12 C ATOM 1659 CD1 ILE A 114 -3.780 -1.638 3.281 1.00 0.18 C ATOM 0 H ILE A 114 -3.489 1.380 3.936 1.00 0.11 H new ATOM 0 HA ILE A 114 -4.079 1.647 1.064 1.00 0.11 H new ATOM 0 HB ILE A 114 -5.738 0.025 3.021 1.00 0.12 H new ATOM 0 HG12 ILE A 114 -4.768 -1.894 1.407 1.00 0.15 H new ATOM 0 HG13 ILE A 114 -3.397 -0.803 1.354 1.00 0.15 H new ATOM 0 HG21 ILE A 114 -6.747 -0.871 0.934 1.00 0.12 H new ATOM 0 HG22 ILE A 114 -6.923 0.896 1.048 1.00 0.12 H new ATOM 0 HG23 ILE A 114 -5.685 0.193 -0.019 1.00 0.12 H new ATOM 0 HD11 ILE A 114 -3.114 -2.484 3.110 1.00 0.18 H new ATOM 0 HD12 ILE A 114 -3.244 -0.857 3.819 1.00 0.18 H new ATOM 0 HD13 ILE A 114 -4.636 -1.964 3.872 1.00 0.18 H new ATOM 1671 N LYS A 115 -5.993 3.246 1.557 1.00 0.13 N ATOM 1672 CA LYS A 115 -7.029 4.214 1.866 1.00 0.14 C ATOM 1673 C LYS A 115 -8.283 3.863 1.079 1.00 0.15 C ATOM 1674 O LYS A 115 -8.197 3.470 -0.084 1.00 0.16 O ATOM 1675 CB LYS A 115 -6.576 5.648 1.550 1.00 0.16 C ATOM 1676 CG LYS A 115 -6.705 6.046 0.090 1.00 0.22 C ATOM 1677 CD LYS A 115 -6.335 7.504 -0.125 1.00 0.24 C ATOM 1678 CE LYS A 115 -6.926 8.037 -1.419 1.00 0.35 C ATOM 1679 NZ LYS A 115 -6.585 9.467 -1.648 1.00 0.61 N ATOM 0 H LYS A 115 -5.781 3.152 0.564 1.00 0.13 H new ATOM 0 HA LYS A 115 -7.240 4.174 2.935 1.00 0.14 H new ATOM 0 HB2 LYS A 115 -7.161 6.341 2.155 1.00 0.16 H new ATOM 0 HB3 LYS A 115 -5.535 5.761 1.853 1.00 0.16 H new ATOM 0 HG2 LYS A 115 -6.060 5.412 -0.519 1.00 0.22 H new ATOM 0 HG3 LYS A 115 -7.728 5.876 -0.245 1.00 0.22 H new ATOM 0 HD2 LYS A 115 -6.694 8.100 0.714 1.00 0.24 H new ATOM 0 HD3 LYS A 115 -5.250 7.607 -0.148 1.00 0.24 H new ATOM 0 HE2 LYS A 115 -6.562 7.440 -2.255 1.00 0.35 H new ATOM 0 HE3 LYS A 115 -8.010 7.923 -1.395 1.00 0.35 H new ATOM 0 HZ1 LYS A 115 -7.010 9.786 -2.542 1.00 0.61 H new ATOM 0 HZ2 LYS A 115 -6.955 10.042 -0.864 1.00 0.61 H new ATOM 0 HZ3 LYS A 115 -5.552 9.574 -1.698 1.00 0.61 H new ATOM 1693 N ARG A 116 -9.438 3.977 1.707 1.00 0.15 N ATOM 1694 CA ARG A 116 -10.685 3.597 1.057 1.00 0.17 C ATOM 1695 C ARG A 116 -11.177 4.699 0.122 1.00 0.19 C ATOM 1696 O ARG A 116 -11.257 5.864 0.505 1.00 0.22 O ATOM 1697 CB ARG A 116 -11.727 3.253 2.115 1.00 0.21 C ATOM 1698 CG ARG A 116 -13.111 2.935 1.584 1.00 0.28 C ATOM 1699 CD ARG A 116 -13.937 2.262 2.659 1.00 0.49 C ATOM 1700 NE ARG A 116 -15.361 2.228 2.345 1.00 0.79 N ATOM 1701 CZ ARG A 116 -16.303 2.027 3.261 1.00 0.88 C ATOM 1702 NH1 ARG A 116 -15.959 1.823 4.528 1.00 0.97 N ATOM 1703 NH2 ARG A 116 -17.581 2.016 2.914 1.00 1.87 N ATOM 0 H ARG A 116 -9.542 4.327 2.660 1.00 0.15 H new ATOM 0 HA ARG A 116 -10.510 2.714 0.442 1.00 0.17 H new ATOM 0 HB2 ARG A 116 -11.370 2.397 2.687 1.00 0.21 H new ATOM 0 HB3 ARG A 116 -11.806 4.090 2.809 1.00 0.21 H new ATOM 0 HG2 ARG A 116 -13.603 3.851 1.256 1.00 0.28 H new ATOM 0 HG3 ARG A 116 -13.034 2.285 0.713 1.00 0.28 H new ATOM 0 HD2 ARG A 116 -13.577 1.243 2.801 1.00 0.49 H new ATOM 0 HD3 ARG A 116 -13.791 2.786 3.603 1.00 0.49 H new ATOM 0 HE ARG A 116 -15.648 2.365 1.376 1.00 0.79 H new ATOM 0 HH11 ARG A 116 -14.975 1.821 4.795 1.00 0.97 H new ATOM 0 HH12 ARG A 116 -16.679 1.668 5.233 1.00 0.97 H new ATOM 0 HH21 ARG A 116 -17.846 2.162 1.940 1.00 1.87 H new ATOM 0 HH22 ARG A 116 -18.300 1.861 3.621 1.00 1.87 H new ATOM 1717 N LEU A 117 -11.483 4.311 -1.113 1.00 0.22 N ATOM 1718 CA LEU A 117 -11.925 5.245 -2.146 1.00 0.27 C ATOM 1719 C LEU A 117 -13.439 5.185 -2.310 1.00 0.29 C ATOM 1720 O LEU A 117 -14.073 6.174 -2.670 1.00 0.37 O ATOM 1721 CB LEU A 117 -11.251 4.916 -3.484 1.00 0.32 C ATOM 1722 CG LEU A 117 -9.875 5.547 -3.734 1.00 0.39 C ATOM 1723 CD1 LEU A 117 -10.005 7.023 -4.051 1.00 0.89 C ATOM 1724 CD2 LEU A 117 -8.963 5.354 -2.541 1.00 0.80 C ATOM 0 H LEU A 117 -11.432 3.342 -1.426 1.00 0.22 H new ATOM 0 HA LEU A 117 -11.642 6.252 -1.838 1.00 0.27 H new ATOM 0 HB2 LEU A 117 -11.147 3.833 -3.556 1.00 0.32 H new ATOM 0 HB3 LEU A 117 -11.919 5.226 -4.287 1.00 0.32 H new ATOM 0 HG LEU A 117 -9.434 5.042 -4.594 1.00 0.39 H new ATOM 0 HD11 LEU A 117 -9.016 7.446 -4.224 1.00 0.89 H new ATOM 0 HD12 LEU A 117 -10.616 7.151 -4.945 1.00 0.89 H new ATOM 0 HD13 LEU A 117 -10.477 7.535 -3.213 1.00 0.89 H new ATOM 0 HD21 LEU A 117 -7.995 5.811 -2.746 1.00 0.80 H new ATOM 0 HD22 LEU A 117 -9.408 5.823 -1.663 1.00 0.80 H new ATOM 0 HD23 LEU A 117 -8.829 4.289 -2.354 1.00 0.80 H new ATOM 1736 N ALA A 118 -14.003 4.013 -2.060 1.00 0.26 N ATOM 1737 CA ALA A 118 -15.441 3.817 -2.147 1.00 0.30 C ATOM 1738 C ALA A 118 -15.841 2.560 -1.393 1.00 0.30 C ATOM 1739 O ALA A 118 -16.184 2.667 -0.198 1.00 1.10 O ATOM 1740 CB ALA A 118 -15.893 3.735 -3.599 1.00 0.39 C ATOM 1741 OXT ALA A 118 -15.790 1.469 -1.993 1.00 1.09 O ATOM 0 H ALA A 118 -13.482 3.178 -1.793 1.00 0.26 H new ATOM 0 HA ALA A 118 -15.934 4.675 -1.690 1.00 0.30 H new ATOM 0 HB1 ALA A 118 -16.972 3.588 -3.636 1.00 0.39 H new ATOM 0 HB2 ALA A 118 -15.635 4.661 -4.113 1.00 0.39 H new ATOM 0 HB3 ALA A 118 -15.396 2.897 -4.088 1.00 0.39 H new