USER MOD reduce.3.24.130724 H: found=0, std=0, add=815, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 811 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 27 HIS : no HE2:sc= -9.68! C(o=-17!,f=-19!) USER MOD Set 1.2: A 106 MET CE :methyl 173:sc= -7.43! (180deg=-7.12!) USER MOD Single : A 0 SER N :NH3+ -137:sc= -4.43! (180deg=-5.15!) USER MOD Single : A 0 SER OG : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl -137:sc= 0 (180deg=-0.114) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 THR OG1 : rot 76:sc= 1.04 USER MOD Single : A 19 CYS SG : rot -63:sc= 0.87 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 SER OG : rot 110:sc= -3.1! USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 CYS SG : rot -61:sc= -2.45 USER MOD Single : A 37 SER OG : rot 140:sc= -0.479 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 41 THR OG1 : rot 180:sc=-0.00438 USER MOD Single : A 45 LYS NZ :NH3+ -152:sc= -0.0869 (180deg=-0.758) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 GLN : amide:sc=-0.00627 X(o=-0.0063,f=0) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ 137:sc= -2.09! (180deg=-4.83!) USER MOD Single : A 69 GLN : amide:sc= -2.78 K(o=-2.8,f=-4.6!) USER MOD Single : A 70 ASN : amide:sc= -4.32! C(o=-4.3!,f=-17!) USER MOD Single : A 72 LYS NZ :NH3+ -166:sc= 0 (180deg=-0.114) USER MOD Single : A 79 SER OG : rot 180:sc= -0.191 USER MOD Single : A 83 THR OG1 : rot -45:sc= -1.52 USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 LYS NZ :NH3+ -161:sc= -0.028 (180deg=-0.29) USER MOD Single : A 92 SER OG : rot 180:sc= -0.62 USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 LYS NZ :NH3+ -149:sc= -0.329 (180deg=-1.56!) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 0 0.992 -0.230 0.861 1.00 14.24 N ATOM 2 CA SER A 0 2.264 -0.119 0.169 1.00 3.02 C ATOM 3 C SER A 0 2.722 -1.499 -0.308 1.00 42.42 C ATOM 4 O SER A 0 2.816 -2.434 0.485 1.00 60.23 O ATOM 5 CB SER A 0 3.328 0.511 1.070 1.00 2.02 C ATOM 6 OG SER A 0 2.871 1.719 1.672 1.00 32.02 O ATOM 0 H1 SER A 0 0.365 0.544 0.562 1.00 14.24 H new ATOM 0 H2 SER A 0 0.550 -1.143 0.630 1.00 14.24 H new ATOM 0 H3 SER A 0 1.149 -0.171 1.887 1.00 14.24 H new ATOM 0 HA SER A 0 2.128 0.531 -0.695 1.00 3.02 H new ATOM 0 HB2 SER A 0 3.610 -0.198 1.849 1.00 2.02 H new ATOM 0 HB3 SER A 0 4.225 0.714 0.484 1.00 2.02 H new ATOM 0 HG SER A 0 3.578 2.089 2.241 1.00 32.02 H new ATOM 12 N MET A 1 2.995 -1.581 -1.602 1.00 62.20 N ATOM 13 CA MET A 1 3.441 -2.831 -2.195 1.00 1.34 C ATOM 14 C MET A 1 4.811 -3.239 -1.648 1.00 51.33 C ATOM 15 O MET A 1 5.818 -3.135 -2.347 1.00 52.40 O ATOM 16 CB MET A 1 3.523 -2.675 -3.714 1.00 42.43 C ATOM 17 CG MET A 1 2.133 -2.746 -4.349 1.00 13.43 C ATOM 18 SD MET A 1 1.324 -1.159 -4.226 1.00 33.34 S ATOM 19 CE MET A 1 2.099 -0.309 -5.591 1.00 32.35 C ATOM 0 H MET A 1 2.916 -0.803 -2.256 1.00 62.20 H new ATOM 0 HA MET A 1 2.722 -3.610 -1.940 1.00 1.34 H new ATOM 0 HB2 MET A 1 3.991 -1.722 -3.960 1.00 42.43 H new ATOM 0 HB3 MET A 1 4.157 -3.458 -4.130 1.00 42.43 H new ATOM 0 HG2 MET A 1 2.217 -3.041 -5.395 1.00 13.43 H new ATOM 0 HG3 MET A 1 1.535 -3.508 -3.850 1.00 13.43 H new ATOM 0 HE1 MET A 1 2.361 0.705 -5.287 1.00 32.35 H new ATOM 0 HE2 MET A 1 3.002 -0.844 -5.887 1.00 32.35 H new ATOM 0 HE3 MET A 1 1.409 -0.268 -6.433 1.00 32.35 H new ATOM 29 N ALA A 2 4.804 -3.694 -0.404 1.00 65.43 N ATOM 30 CA ALA A 2 6.034 -4.118 0.244 1.00 71.43 C ATOM 31 C ALA A 2 6.270 -5.603 -0.041 1.00 73.13 C ATOM 32 O ALA A 2 7.392 -6.012 -0.337 1.00 13.53 O ATOM 33 CB ALA A 2 5.951 -3.818 1.742 1.00 64.23 C ATOM 0 H ALA A 2 3.967 -3.778 0.172 1.00 65.43 H new ATOM 0 HA ALA A 2 6.887 -3.567 -0.152 1.00 71.43 H new ATOM 0 HB1 ALA A 2 6.873 -4.136 2.228 1.00 64.23 H new ATOM 0 HB2 ALA A 2 5.812 -2.747 1.891 1.00 64.23 H new ATOM 0 HB3 ALA A 2 5.108 -4.357 2.175 1.00 64.23 H new ATOM 39 N PHE A 3 5.194 -6.370 0.057 1.00 11.15 N ATOM 40 CA PHE A 3 5.270 -7.800 -0.186 1.00 75.40 C ATOM 41 C PHE A 3 5.898 -8.092 -1.550 1.00 52.03 C ATOM 42 O PHE A 3 6.365 -9.203 -1.798 1.00 50.50 O ATOM 43 CB PHE A 3 3.835 -8.333 -0.174 1.00 42.42 C ATOM 44 CG PHE A 3 3.357 -8.802 1.201 1.00 30.03 C ATOM 45 CD1 PHE A 3 3.790 -9.990 1.703 1.00 52.22 C ATOM 46 CD2 PHE A 3 2.499 -8.032 1.922 1.00 1.44 C ATOM 47 CE1 PHE A 3 3.346 -10.425 2.979 1.00 30.53 C ATOM 48 CE2 PHE A 3 2.055 -8.467 3.199 1.00 62.31 C ATOM 49 CZ PHE A 3 2.488 -9.655 3.700 1.00 20.14 C ATOM 0 H PHE A 3 4.265 -6.028 0.301 1.00 11.15 H new ATOM 0 HA PHE A 3 5.887 -8.274 0.577 1.00 75.40 H new ATOM 0 HB2 PHE A 3 3.165 -7.552 -0.533 1.00 42.42 H new ATOM 0 HB3 PHE A 3 3.761 -9.164 -0.876 1.00 42.42 H new ATOM 0 HD1 PHE A 3 4.471 -10.602 1.131 1.00 52.22 H new ATOM 0 HD2 PHE A 3 2.155 -7.089 1.523 1.00 1.44 H new ATOM 0 HE1 PHE A 3 3.690 -11.368 3.377 1.00 30.53 H new ATOM 0 HE2 PHE A 3 1.374 -7.855 3.772 1.00 62.31 H new ATOM 0 HZ PHE A 3 2.150 -9.987 4.671 1.00 20.14 H new ATOM 59 N ALA A 4 5.889 -7.075 -2.400 1.00 20.14 N ATOM 60 CA ALA A 4 6.452 -7.208 -3.732 1.00 62.34 C ATOM 61 C ALA A 4 7.890 -7.720 -3.625 1.00 1.10 C ATOM 62 O ALA A 4 8.433 -8.264 -4.586 1.00 13.33 O ATOM 63 CB ALA A 4 6.364 -5.866 -4.461 1.00 0.44 C ATOM 0 H ALA A 4 5.500 -6.155 -2.191 1.00 20.14 H new ATOM 0 HA ALA A 4 5.886 -7.934 -4.316 1.00 62.34 H new ATOM 0 HB1 ALA A 4 6.787 -5.967 -5.461 1.00 0.44 H new ATOM 0 HB2 ALA A 4 5.320 -5.561 -4.537 1.00 0.44 H new ATOM 0 HB3 ALA A 4 6.922 -5.113 -3.905 1.00 0.44 H new ATOM 69 N SER A 5 8.466 -7.528 -2.448 1.00 3.45 N ATOM 70 CA SER A 5 9.831 -7.963 -2.202 1.00 52.20 C ATOM 71 C SER A 5 9.830 -9.362 -1.582 1.00 43.32 C ATOM 72 O SER A 5 10.544 -10.250 -2.045 1.00 70.13 O ATOM 73 CB SER A 5 10.567 -6.979 -1.291 1.00 2.21 C ATOM 74 OG SER A 5 11.192 -5.932 -2.030 1.00 33.35 O ATOM 0 H SER A 5 8.013 -7.077 -1.653 1.00 3.45 H new ATOM 0 HA SER A 5 10.357 -7.995 -3.156 1.00 52.20 H new ATOM 0 HB2 SER A 5 9.863 -6.549 -0.578 1.00 2.21 H new ATOM 0 HB3 SER A 5 11.320 -7.514 -0.713 1.00 2.21 H new ATOM 0 HG SER A 5 11.650 -5.324 -1.413 1.00 33.35 H new ATOM 80 N VAL A 6 9.021 -9.514 -0.544 1.00 43.21 N ATOM 81 CA VAL A 6 8.918 -10.789 0.144 1.00 24.40 C ATOM 82 C VAL A 6 8.342 -11.835 -0.813 1.00 31.03 C ATOM 83 O VAL A 6 9.006 -12.818 -1.137 1.00 63.01 O ATOM 84 CB VAL A 6 8.093 -10.629 1.422 1.00 22.45 C ATOM 85 CG1 VAL A 6 8.311 -11.813 2.368 1.00 44.45 C ATOM 86 CG2 VAL A 6 8.413 -9.305 2.119 1.00 74.01 C ATOM 0 H VAL A 6 8.431 -8.775 -0.163 1.00 43.21 H new ATOM 0 HA VAL A 6 9.904 -11.138 0.451 1.00 24.40 H new ATOM 0 HB VAL A 6 7.040 -10.614 1.141 1.00 22.45 H new ATOM 0 HG11 VAL A 6 7.713 -11.674 3.269 1.00 44.45 H new ATOM 0 HG12 VAL A 6 8.010 -12.736 1.871 1.00 44.45 H new ATOM 0 HG13 VAL A 6 9.365 -11.873 2.638 1.00 44.45 H new ATOM 0 HG21 VAL A 6 7.813 -9.216 3.025 1.00 74.01 H new ATOM 0 HG22 VAL A 6 9.471 -9.278 2.380 1.00 74.01 H new ATOM 0 HG23 VAL A 6 8.183 -8.476 1.449 1.00 74.01 H new ATOM 96 N LEU A 7 7.112 -11.587 -1.237 1.00 73.35 N ATOM 97 CA LEU A 7 6.438 -12.495 -2.151 1.00 22.15 C ATOM 98 C LEU A 7 6.536 -11.945 -3.575 1.00 11.53 C ATOM 99 O LEU A 7 7.176 -10.920 -3.805 1.00 53.33 O ATOM 100 CB LEU A 7 5.003 -12.753 -1.688 1.00 53.10 C ATOM 101 CG LEU A 7 4.830 -13.127 -0.214 1.00 52.15 C ATOM 102 CD1 LEU A 7 3.469 -12.667 0.312 1.00 72.13 C ATOM 103 CD2 LEU A 7 5.051 -14.625 0.000 1.00 30.55 C ATOM 0 H LEU A 7 6.564 -10.771 -0.965 1.00 73.35 H new ATOM 0 HA LEU A 7 6.928 -13.469 -2.151 1.00 22.15 H new ATOM 0 HB2 LEU A 7 4.412 -11.859 -1.887 1.00 53.10 H new ATOM 0 HB3 LEU A 7 4.584 -13.554 -2.297 1.00 53.10 H new ATOM 0 HG LEU A 7 5.592 -12.603 0.364 1.00 52.15 H new ATOM 0 HD11 LEU A 7 3.372 -12.945 1.361 1.00 72.13 H new ATOM 0 HD12 LEU A 7 3.388 -11.584 0.214 1.00 72.13 H new ATOM 0 HD13 LEU A 7 2.676 -13.143 -0.265 1.00 72.13 H new ATOM 0 HD21 LEU A 7 4.922 -14.865 1.056 1.00 30.55 H new ATOM 0 HD22 LEU A 7 4.328 -15.187 -0.591 1.00 30.55 H new ATOM 0 HD23 LEU A 7 6.061 -14.892 -0.312 1.00 30.55 H new ATOM 115 N LYS A 8 5.892 -12.650 -4.493 1.00 52.30 N ATOM 116 CA LYS A 8 5.898 -12.244 -5.888 1.00 61.54 C ATOM 117 C LYS A 8 4.713 -11.313 -6.150 1.00 2.54 C ATOM 118 O LYS A 8 3.562 -11.692 -5.938 1.00 43.34 O ATOM 119 CB LYS A 8 5.929 -13.471 -6.802 1.00 70.14 C ATOM 120 CG LYS A 8 6.411 -13.097 -8.206 1.00 21.34 C ATOM 121 CD LYS A 8 7.935 -13.189 -8.304 1.00 42.31 C ATOM 122 CE LYS A 8 8.441 -12.537 -9.592 1.00 43.15 C ATOM 123 NZ LYS A 8 9.921 -12.506 -9.611 1.00 11.31 N ATOM 0 H LYS A 8 5.363 -13.500 -4.298 1.00 52.30 H new ATOM 0 HA LYS A 8 6.803 -11.680 -6.116 1.00 61.54 H new ATOM 0 HB2 LYS A 8 6.588 -14.229 -6.377 1.00 70.14 H new ATOM 0 HB3 LYS A 8 4.933 -13.911 -6.861 1.00 70.14 H new ATOM 0 HG2 LYS A 8 5.955 -13.761 -8.940 1.00 21.34 H new ATOM 0 HG3 LYS A 8 6.088 -12.085 -8.448 1.00 21.34 H new ATOM 0 HD2 LYS A 8 8.389 -12.700 -7.442 1.00 42.31 H new ATOM 0 HD3 LYS A 8 8.243 -14.234 -8.276 1.00 42.31 H new ATOM 0 HE2 LYS A 8 8.072 -13.090 -10.456 1.00 43.15 H new ATOM 0 HE3 LYS A 8 8.049 -11.523 -9.671 1.00 43.15 H new ATOM 0 HZ1 LYS A 8 10.248 -12.060 -10.492 1.00 11.31 H new ATOM 0 HZ2 LYS A 8 10.267 -11.959 -8.797 1.00 11.31 H new ATOM 0 HZ3 LYS A 8 10.289 -13.477 -9.557 1.00 11.31 H new ATOM 136 N ASP A 9 5.036 -10.111 -6.605 1.00 53.03 N ATOM 137 CA ASP A 9 4.012 -9.122 -6.898 1.00 2.14 C ATOM 138 C ASP A 9 2.893 -9.777 -7.710 1.00 44.21 C ATOM 139 O ASP A 9 1.717 -9.481 -7.505 1.00 3.13 O ATOM 140 CB ASP A 9 4.582 -7.967 -7.723 1.00 43.04 C ATOM 141 CG ASP A 9 5.616 -8.373 -8.776 1.00 73.11 C ATOM 142 OD1 ASP A 9 5.467 -9.401 -9.454 1.00 2.04 O ATOM 143 OD2 ASP A 9 6.622 -7.574 -8.889 1.00 52.31 O ATOM 0 H ASP A 9 5.992 -9.800 -6.778 1.00 53.03 H new ATOM 0 HA ASP A 9 3.635 -8.737 -5.951 1.00 2.14 H new ATOM 0 HB2 ASP A 9 3.759 -7.456 -8.222 1.00 43.04 H new ATOM 0 HB3 ASP A 9 5.040 -7.247 -7.045 1.00 43.04 H new ATOM 149 N ALA A 10 3.299 -10.655 -8.616 1.00 2.34 N ATOM 150 CA ALA A 10 2.346 -11.354 -9.460 1.00 35.10 C ATOM 151 C ALA A 10 1.522 -12.317 -8.602 1.00 54.43 C ATOM 152 O ALA A 10 0.325 -12.488 -8.831 1.00 22.33 O ATOM 153 CB ALA A 10 3.091 -12.070 -10.588 1.00 22.44 C ATOM 0 H ALA A 10 4.275 -10.898 -8.784 1.00 2.34 H new ATOM 0 HA ALA A 10 1.654 -10.650 -9.922 1.00 35.10 H new ATOM 0 HB1 ALA A 10 2.375 -12.594 -11.221 1.00 22.44 H new ATOM 0 HB2 ALA A 10 3.636 -11.339 -11.185 1.00 22.44 H new ATOM 0 HB3 ALA A 10 3.793 -12.787 -10.163 1.00 22.44 H new ATOM 159 N GLU A 11 2.195 -12.919 -7.633 1.00 74.22 N ATOM 160 CA GLU A 11 1.540 -13.860 -6.740 1.00 53.02 C ATOM 161 C GLU A 11 0.495 -13.141 -5.885 1.00 13.40 C ATOM 162 O GLU A 11 -0.684 -13.491 -5.914 1.00 51.52 O ATOM 163 CB GLU A 11 2.562 -14.585 -5.862 1.00 74.14 C ATOM 164 CG GLU A 11 3.154 -15.791 -6.593 1.00 65.44 C ATOM 165 CD GLU A 11 4.348 -16.365 -5.827 1.00 12.04 C ATOM 166 OE1 GLU A 11 4.199 -16.777 -4.667 1.00 2.05 O ATOM 167 OE2 GLU A 11 5.461 -16.375 -6.478 1.00 50.04 O ATOM 0 H GLU A 11 3.187 -12.774 -7.446 1.00 74.22 H new ATOM 0 HA GLU A 11 1.032 -14.611 -7.345 1.00 53.02 H new ATOM 0 HB2 GLU A 11 3.360 -13.897 -5.582 1.00 74.14 H new ATOM 0 HB3 GLU A 11 2.086 -14.913 -4.938 1.00 74.14 H new ATOM 0 HG2 GLU A 11 2.390 -16.560 -6.712 1.00 65.44 H new ATOM 0 HG3 GLU A 11 3.468 -15.496 -7.594 1.00 65.44 H new ATOM 175 N VAL A 12 0.965 -12.148 -5.144 1.00 32.35 N ATOM 176 CA VAL A 12 0.086 -11.377 -4.282 1.00 13.44 C ATOM 177 C VAL A 12 -0.979 -10.685 -5.135 1.00 13.42 C ATOM 178 O VAL A 12 -2.134 -10.577 -4.726 1.00 32.05 O ATOM 179 CB VAL A 12 0.906 -10.397 -3.439 1.00 70.53 C ATOM 180 CG1 VAL A 12 2.152 -11.077 -2.867 1.00 53.31 C ATOM 181 CG2 VAL A 12 1.282 -9.157 -4.252 1.00 1.11 C ATOM 0 H VAL A 12 1.943 -11.860 -5.123 1.00 32.35 H new ATOM 0 HA VAL A 12 -0.433 -12.032 -3.582 1.00 13.44 H new ATOM 0 HB VAL A 12 0.287 -10.074 -2.602 1.00 70.53 H new ATOM 0 HG11 VAL A 12 2.717 -10.360 -2.272 1.00 53.31 H new ATOM 0 HG12 VAL A 12 1.853 -11.915 -2.237 1.00 53.31 H new ATOM 0 HG13 VAL A 12 2.775 -11.442 -3.684 1.00 53.31 H new ATOM 0 HG21 VAL A 12 1.864 -8.477 -3.630 1.00 1.11 H new ATOM 0 HG22 VAL A 12 1.875 -9.455 -5.117 1.00 1.11 H new ATOM 0 HG23 VAL A 12 0.375 -8.654 -4.589 1.00 1.11 H new ATOM 191 N THR A 13 -0.553 -10.233 -6.305 1.00 62.42 N ATOM 192 CA THR A 13 -1.455 -9.555 -7.220 1.00 13.34 C ATOM 193 C THR A 13 -2.722 -10.386 -7.433 1.00 51.43 C ATOM 194 O THR A 13 -3.833 -9.890 -7.249 1.00 5.31 O ATOM 195 CB THR A 13 -0.691 -9.269 -8.514 1.00 4.14 C ATOM 196 OG1 THR A 13 -0.037 -8.028 -8.264 1.00 11.43 O ATOM 197 CG2 THR A 13 -1.622 -8.970 -9.690 1.00 43.42 C ATOM 0 H THR A 13 0.406 -10.323 -6.641 1.00 62.42 H new ATOM 0 HA THR A 13 -1.793 -8.604 -6.809 1.00 13.34 H new ATOM 0 HB THR A 13 -0.060 -10.123 -8.759 1.00 4.14 H new ATOM 0 HG1 THR A 13 0.734 -8.177 -7.678 1.00 11.43 H new ATOM 0 HG21 THR A 13 -1.029 -8.774 -10.583 1.00 43.42 H new ATOM 0 HG22 THR A 13 -2.272 -9.827 -9.867 1.00 43.42 H new ATOM 0 HG23 THR A 13 -2.230 -8.095 -9.459 1.00 43.42 H new ATOM 205 N ALA A 14 -2.513 -11.636 -7.819 1.00 51.32 N ATOM 206 CA ALA A 14 -3.624 -12.540 -8.060 1.00 75.30 C ATOM 207 C ALA A 14 -4.418 -12.722 -6.765 1.00 33.23 C ATOM 208 O ALA A 14 -5.618 -12.991 -6.800 1.00 51.13 O ATOM 209 CB ALA A 14 -3.094 -13.866 -8.610 1.00 11.12 C ATOM 0 H ALA A 14 -1.591 -12.044 -7.971 1.00 51.32 H new ATOM 0 HA ALA A 14 -4.301 -12.125 -8.807 1.00 75.30 H new ATOM 0 HB1 ALA A 14 -3.928 -14.544 -8.791 1.00 11.12 H new ATOM 0 HB2 ALA A 14 -2.563 -13.686 -9.545 1.00 11.12 H new ATOM 0 HB3 ALA A 14 -2.413 -14.314 -7.887 1.00 11.12 H new ATOM 215 N ALA A 15 -3.716 -12.568 -5.652 1.00 34.34 N ATOM 216 CA ALA A 15 -4.341 -12.712 -4.347 1.00 65.24 C ATOM 217 C ALA A 15 -5.237 -11.501 -4.079 1.00 63.43 C ATOM 218 O ALA A 15 -6.238 -11.610 -3.373 1.00 51.03 O ATOM 219 CB ALA A 15 -3.258 -12.884 -3.280 1.00 34.44 C ATOM 0 H ALA A 15 -2.721 -12.345 -5.626 1.00 34.34 H new ATOM 0 HA ALA A 15 -4.972 -13.601 -4.319 1.00 65.24 H new ATOM 0 HB1 ALA A 15 -3.725 -12.992 -2.301 1.00 34.44 H new ATOM 0 HB2 ALA A 15 -2.668 -13.774 -3.501 1.00 34.44 H new ATOM 0 HB3 ALA A 15 -2.608 -12.009 -3.277 1.00 34.44 H new ATOM 225 N LEU A 16 -4.844 -10.376 -4.657 1.00 54.42 N ATOM 226 CA LEU A 16 -5.600 -9.146 -4.490 1.00 3.45 C ATOM 227 C LEU A 16 -6.835 -9.184 -5.391 1.00 34.22 C ATOM 228 O LEU A 16 -7.938 -8.861 -4.952 1.00 52.24 O ATOM 229 CB LEU A 16 -4.703 -7.929 -4.728 1.00 24.33 C ATOM 230 CG LEU A 16 -3.908 -7.435 -3.517 1.00 50.43 C ATOM 231 CD1 LEU A 16 -2.668 -6.654 -3.957 1.00 52.23 C ATOM 232 CD2 LEU A 16 -4.795 -6.618 -2.575 1.00 73.14 C ATOM 0 H LEU A 16 -4.012 -10.290 -5.241 1.00 54.42 H new ATOM 0 HA LEU A 16 -5.956 -9.055 -3.464 1.00 3.45 H new ATOM 0 HB2 LEU A 16 -4.000 -8.171 -5.525 1.00 24.33 H new ATOM 0 HB3 LEU A 16 -5.324 -7.109 -5.089 1.00 24.33 H new ATOM 0 HG LEU A 16 -3.560 -8.304 -2.959 1.00 50.43 H new ATOM 0 HD11 LEU A 16 -2.121 -6.314 -3.078 1.00 52.23 H new ATOM 0 HD12 LEU A 16 -2.026 -7.299 -4.557 1.00 52.23 H new ATOM 0 HD13 LEU A 16 -2.973 -5.792 -4.550 1.00 52.23 H new ATOM 0 HD21 LEU A 16 -4.206 -6.279 -1.723 1.00 73.14 H new ATOM 0 HD22 LEU A 16 -5.193 -5.754 -3.108 1.00 73.14 H new ATOM 0 HD23 LEU A 16 -5.619 -7.238 -2.222 1.00 73.14 H new ATOM 244 N ASP A 17 -6.610 -9.583 -6.634 1.00 5.30 N ATOM 245 CA ASP A 17 -7.691 -9.668 -7.601 1.00 1.22 C ATOM 246 C ASP A 17 -8.606 -10.838 -7.234 1.00 13.50 C ATOM 247 O ASP A 17 -9.812 -10.786 -7.474 1.00 24.03 O ATOM 248 CB ASP A 17 -7.151 -9.914 -9.011 1.00 21.22 C ATOM 249 CG ASP A 17 -8.080 -9.476 -10.145 1.00 3.22 C ATOM 250 OD1 ASP A 17 -9.303 -9.664 -10.077 1.00 74.10 O ATOM 251 OD2 ASP A 17 -7.491 -8.911 -11.144 1.00 70.12 O ATOM 0 H ASP A 17 -5.694 -9.851 -6.994 1.00 5.30 H new ATOM 0 HA ASP A 17 -8.235 -8.723 -7.583 1.00 1.22 H new ATOM 0 HB2 ASP A 17 -6.201 -9.390 -9.117 1.00 21.22 H new ATOM 0 HB3 ASP A 17 -6.942 -10.978 -9.123 1.00 21.22 H new ATOM 257 N GLY A 18 -7.999 -11.865 -6.659 1.00 2.25 N ATOM 258 CA GLY A 18 -8.744 -13.045 -6.256 1.00 72.42 C ATOM 259 C GLY A 18 -9.799 -12.696 -5.204 1.00 63.11 C ATOM 260 O GLY A 18 -10.679 -13.503 -4.910 1.00 70.44 O ATOM 0 H GLY A 18 -6.999 -11.904 -6.462 1.00 2.25 H new ATOM 0 HA2 GLY A 18 -9.227 -13.489 -7.126 1.00 72.42 H new ATOM 0 HA3 GLY A 18 -8.059 -13.792 -5.855 1.00 72.42 H new ATOM 264 N CYS A 19 -9.675 -11.492 -4.665 1.00 43.04 N ATOM 265 CA CYS A 19 -10.606 -11.026 -3.652 1.00 51.12 C ATOM 266 C CYS A 19 -11.070 -9.620 -4.037 1.00 55.21 C ATOM 267 O CYS A 19 -11.367 -8.801 -3.169 1.00 13.24 O ATOM 268 CB CYS A 19 -9.985 -11.059 -2.254 1.00 62.15 C ATOM 269 SG CYS A 19 -8.431 -10.093 -2.237 1.00 40.42 S ATOM 0 H CYS A 19 -8.944 -10.825 -4.911 1.00 43.04 H new ATOM 0 HA CYS A 19 -11.467 -11.694 -3.611 1.00 51.12 H new ATOM 0 HB2 CYS A 19 -10.685 -10.650 -1.526 1.00 62.15 H new ATOM 0 HB3 CYS A 19 -9.786 -12.089 -1.960 1.00 62.15 H new ATOM 0 HG CYS A 19 -7.568 -10.645 -3.038 1.00 40.42 H new ATOM 275 N LYS A 20 -11.119 -9.383 -5.340 1.00 2.02 N ATOM 276 CA LYS A 20 -11.542 -8.090 -5.850 1.00 61.02 C ATOM 277 C LYS A 20 -13.011 -7.861 -5.491 1.00 55.02 C ATOM 278 O LYS A 20 -13.501 -6.735 -5.555 1.00 55.41 O ATOM 279 CB LYS A 20 -11.251 -7.984 -7.349 1.00 33.34 C ATOM 280 CG LYS A 20 -10.959 -6.537 -7.750 1.00 13.12 C ATOM 281 CD LYS A 20 -11.359 -6.280 -9.204 1.00 41.21 C ATOM 282 CE LYS A 20 -12.874 -6.114 -9.335 1.00 52.41 C ATOM 283 NZ LYS A 20 -13.329 -6.544 -10.676 1.00 43.34 N ATOM 0 H LYS A 20 -10.873 -10.065 -6.058 1.00 2.02 H new ATOM 0 HA LYS A 20 -10.970 -7.290 -5.380 1.00 61.02 H new ATOM 0 HB2 LYS A 20 -10.399 -8.614 -7.603 1.00 33.34 H new ATOM 0 HB3 LYS A 20 -12.104 -8.357 -7.916 1.00 33.34 H new ATOM 0 HG2 LYS A 20 -11.503 -5.857 -7.094 1.00 13.12 H new ATOM 0 HG3 LYS A 20 -9.898 -6.326 -7.618 1.00 13.12 H new ATOM 0 HD2 LYS A 20 -10.858 -5.383 -9.569 1.00 41.21 H new ATOM 0 HD3 LYS A 20 -11.025 -7.109 -9.829 1.00 41.21 H new ATOM 0 HE2 LYS A 20 -13.378 -6.702 -8.568 1.00 52.41 H new ATOM 0 HE3 LYS A 20 -13.147 -5.072 -9.169 1.00 52.41 H new ATOM 0 HZ1 LYS A 20 -14.360 -6.425 -10.748 1.00 43.34 H new ATOM 0 HZ2 LYS A 20 -12.862 -5.965 -11.403 1.00 43.34 H new ATOM 0 HZ3 LYS A 20 -13.086 -7.545 -10.821 1.00 43.34 H new ATOM 296 N ALA A 21 -13.673 -8.947 -5.121 1.00 74.44 N ATOM 297 CA ALA A 21 -15.077 -8.879 -4.752 1.00 71.11 C ATOM 298 C ALA A 21 -15.196 -8.794 -3.229 1.00 63.30 C ATOM 299 O ALA A 21 -14.208 -8.963 -2.516 1.00 32.45 O ATOM 300 CB ALA A 21 -15.816 -10.089 -5.328 1.00 51.30 C ATOM 0 H ALA A 21 -13.263 -9.880 -5.069 1.00 74.44 H new ATOM 0 HA ALA A 21 -15.540 -7.985 -5.169 1.00 71.11 H new ATOM 0 HB1 ALA A 21 -16.869 -10.038 -5.051 1.00 51.30 H new ATOM 0 HB2 ALA A 21 -15.726 -10.087 -6.414 1.00 51.30 H new ATOM 0 HB3 ALA A 21 -15.380 -11.005 -4.929 1.00 51.30 H new ATOM 306 N ALA A 22 -16.413 -8.533 -2.776 1.00 1.40 N ATOM 307 CA ALA A 22 -16.674 -8.423 -1.351 1.00 25.34 C ATOM 308 C ALA A 22 -17.373 -9.695 -0.865 1.00 42.35 C ATOM 309 O ALA A 22 -18.269 -10.208 -1.534 1.00 23.22 O ATOM 310 CB ALA A 22 -17.498 -7.164 -1.077 1.00 51.14 C ATOM 0 H ALA A 22 -17.230 -8.394 -3.371 1.00 1.40 H new ATOM 0 HA ALA A 22 -15.740 -8.327 -0.797 1.00 25.34 H new ATOM 0 HB1 ALA A 22 -17.693 -7.082 -0.008 1.00 51.14 H new ATOM 0 HB2 ALA A 22 -16.945 -6.287 -1.413 1.00 51.14 H new ATOM 0 HB3 ALA A 22 -18.444 -7.224 -1.615 1.00 51.14 H new ATOM 316 N GLY A 23 -16.937 -10.166 0.293 1.00 1.05 N ATOM 317 CA GLY A 23 -17.510 -11.368 0.876 1.00 42.41 C ATOM 318 C GLY A 23 -16.860 -12.624 0.292 1.00 41.40 C ATOM 319 O GLY A 23 -17.094 -13.730 0.775 1.00 33.23 O ATOM 0 H GLY A 23 -16.193 -9.737 0.844 1.00 1.05 H new ATOM 0 HA2 GLY A 23 -17.373 -11.353 1.957 1.00 42.41 H new ATOM 0 HA3 GLY A 23 -18.584 -11.390 0.691 1.00 42.41 H new ATOM 323 N SER A 24 -16.056 -12.410 -0.739 1.00 60.23 N ATOM 324 CA SER A 24 -15.370 -13.511 -1.394 1.00 75.33 C ATOM 325 C SER A 24 -13.905 -13.549 -0.958 1.00 5.12 C ATOM 326 O SER A 24 -13.074 -14.175 -1.614 1.00 24.12 O ATOM 327 CB SER A 24 -15.468 -13.393 -2.917 1.00 31.44 C ATOM 328 OG SER A 24 -15.010 -12.128 -3.384 1.00 55.54 O ATOM 0 H SER A 24 -15.864 -11.491 -1.137 1.00 60.23 H new ATOM 0 HA SER A 24 -15.855 -14.441 -1.097 1.00 75.33 H new ATOM 0 HB2 SER A 24 -14.880 -14.185 -3.381 1.00 31.44 H new ATOM 0 HB3 SER A 24 -16.503 -13.541 -3.226 1.00 31.44 H new ATOM 0 HG SER A 24 -14.163 -12.243 -3.864 1.00 55.54 H new ATOM 334 N PHE A 25 -13.632 -12.870 0.147 1.00 22.41 N ATOM 335 CA PHE A 25 -12.281 -12.818 0.679 1.00 64.20 C ATOM 336 C PHE A 25 -12.054 -13.926 1.709 1.00 23.52 C ATOM 337 O PHE A 25 -12.840 -14.082 2.642 1.00 73.41 O ATOM 338 CB PHE A 25 -12.122 -11.460 1.365 1.00 33.13 C ATOM 339 CG PHE A 25 -11.015 -11.421 2.420 1.00 22.33 C ATOM 340 CD1 PHE A 25 -11.252 -11.894 3.673 1.00 35.12 C ATOM 341 CD2 PHE A 25 -9.793 -10.914 2.105 1.00 20.22 C ATOM 342 CE1 PHE A 25 -10.225 -11.858 4.652 1.00 23.13 C ATOM 343 CE2 PHE A 25 -8.765 -10.878 3.084 1.00 32.14 C ATOM 344 CZ PHE A 25 -9.003 -11.351 4.337 1.00 2.14 C ATOM 0 H PHE A 25 -14.324 -12.351 0.688 1.00 22.41 H new ATOM 0 HA PHE A 25 -11.559 -12.954 -0.126 1.00 64.20 H new ATOM 0 HB2 PHE A 25 -11.915 -10.704 0.608 1.00 33.13 H new ATOM 0 HB3 PHE A 25 -13.067 -11.189 1.835 1.00 33.13 H new ATOM 0 HD1 PHE A 25 -12.222 -12.297 3.923 1.00 35.12 H new ATOM 0 HD2 PHE A 25 -9.604 -10.539 1.110 1.00 20.22 H new ATOM 0 HE1 PHE A 25 -10.414 -12.233 5.647 1.00 23.13 H new ATOM 0 HE2 PHE A 25 -7.795 -10.475 2.834 1.00 32.14 H new ATOM 0 HZ PHE A 25 -8.221 -11.324 5.082 1.00 2.14 H new ATOM 354 N ASP A 26 -10.975 -14.668 1.506 1.00 44.33 N ATOM 355 CA ASP A 26 -10.634 -15.757 2.405 1.00 13.13 C ATOM 356 C ASP A 26 -9.134 -15.717 2.703 1.00 60.14 C ATOM 357 O ASP A 26 -8.332 -16.253 1.939 1.00 2.24 O ATOM 358 CB ASP A 26 -10.955 -17.113 1.774 1.00 34.13 C ATOM 359 CG ASP A 26 -11.356 -18.208 2.765 1.00 72.45 C ATOM 360 OD1 ASP A 26 -12.320 -18.954 2.536 1.00 30.31 O ATOM 361 OD2 ASP A 26 -10.623 -18.281 3.823 1.00 22.13 O ATOM 0 H ASP A 26 -10.325 -14.536 0.731 1.00 44.33 H new ATOM 0 HA ASP A 26 -11.218 -15.636 3.317 1.00 13.13 H new ATOM 0 HB2 ASP A 26 -11.764 -16.980 1.055 1.00 34.13 H new ATOM 0 HB3 ASP A 26 -10.083 -17.452 1.214 1.00 34.13 H new ATOM 367 N HIS A 27 -8.800 -15.077 3.814 1.00 71.23 N ATOM 368 CA HIS A 27 -7.410 -14.961 4.221 1.00 13.53 C ATOM 369 C HIS A 27 -6.683 -16.279 3.950 1.00 75.20 C ATOM 370 O HIS A 27 -5.698 -16.309 3.214 1.00 31.24 O ATOM 371 CB HIS A 27 -7.308 -14.517 5.682 1.00 51.30 C ATOM 372 CG HIS A 27 -8.031 -15.422 6.651 1.00 65.21 C ATOM 373 ND1 HIS A 27 -9.393 -15.342 6.879 1.00 52.45 N ATOM 374 CD2 HIS A 27 -7.566 -16.428 7.447 1.00 42.32 C ATOM 375 CE1 HIS A 27 -9.723 -16.261 7.774 1.00 62.14 C ATOM 376 NE2 HIS A 27 -8.589 -16.933 8.125 1.00 42.20 N ATOM 0 H HIS A 27 -9.468 -14.634 4.445 1.00 71.23 H new ATOM 0 HA HIS A 27 -6.918 -14.188 3.631 1.00 13.53 H new ATOM 0 HB2 HIS A 27 -6.256 -14.467 5.963 1.00 51.30 H new ATOM 0 HB3 HIS A 27 -7.711 -13.508 5.773 1.00 51.30 H new ATOM 0 HD1 HIS A 27 -10.035 -14.686 6.433 1.00 52.45 H new ATOM 0 HD2 HIS A 27 -6.540 -16.757 7.514 1.00 42.32 H new ATOM 0 HE1 HIS A 27 -10.715 -16.446 8.158 1.00 62.14 H new ATOM 384 N LYS A 28 -7.198 -17.338 4.559 1.00 50.52 N ATOM 385 CA LYS A 28 -6.610 -18.656 4.392 1.00 14.02 C ATOM 386 C LYS A 28 -6.198 -18.845 2.931 1.00 4.31 C ATOM 387 O LYS A 28 -5.059 -19.214 2.647 1.00 75.44 O ATOM 388 CB LYS A 28 -7.564 -19.736 4.906 1.00 20.43 C ATOM 389 CG LYS A 28 -7.365 -19.976 6.404 1.00 1.44 C ATOM 390 CD LYS A 28 -8.371 -20.999 6.935 1.00 63.55 C ATOM 391 CE LYS A 28 -8.384 -22.257 6.063 1.00 1.11 C ATOM 392 NZ LYS A 28 -8.912 -23.410 6.826 1.00 63.44 N ATOM 0 H LYS A 28 -8.016 -17.310 5.168 1.00 50.52 H new ATOM 0 HA LYS A 28 -5.705 -18.749 4.993 1.00 14.02 H new ATOM 0 HB2 LYS A 28 -8.595 -19.436 4.716 1.00 20.43 H new ATOM 0 HB3 LYS A 28 -7.396 -20.664 4.360 1.00 20.43 H new ATOM 0 HG2 LYS A 28 -6.350 -20.330 6.587 1.00 1.44 H new ATOM 0 HG3 LYS A 28 -7.477 -19.036 6.944 1.00 1.44 H new ATOM 0 HD2 LYS A 28 -8.117 -21.266 7.961 1.00 63.55 H new ATOM 0 HD3 LYS A 28 -9.367 -20.557 6.958 1.00 63.55 H new ATOM 0 HE2 LYS A 28 -8.997 -22.087 5.178 1.00 1.11 H new ATOM 0 HE3 LYS A 28 -7.375 -22.475 5.714 1.00 1.11 H new ATOM 0 HZ1 LYS A 28 -8.914 -24.255 6.220 1.00 63.44 H new ATOM 0 HZ2 LYS A 28 -8.311 -23.581 7.657 1.00 63.44 H new ATOM 0 HZ3 LYS A 28 -9.883 -23.205 7.138 1.00 63.44 H new ATOM 405 N LYS A 29 -7.145 -18.582 2.043 1.00 33.12 N ATOM 406 CA LYS A 29 -6.894 -18.718 0.618 1.00 34.44 C ATOM 407 C LYS A 29 -5.788 -17.746 0.205 1.00 63.44 C ATOM 408 O LYS A 29 -4.739 -18.165 -0.283 1.00 70.41 O ATOM 409 CB LYS A 29 -8.192 -18.546 -0.173 1.00 53.31 C ATOM 410 CG LYS A 29 -9.266 -19.521 0.314 1.00 24.31 C ATOM 411 CD LYS A 29 -8.951 -20.950 -0.133 1.00 31.31 C ATOM 412 CE LYS A 29 -9.927 -21.948 0.494 1.00 22.22 C ATOM 413 NZ LYS A 29 -11.161 -22.046 -0.317 1.00 64.33 N ATOM 0 H LYS A 29 -8.088 -18.275 2.283 1.00 33.12 H new ATOM 0 HA LYS A 29 -6.538 -19.722 0.387 1.00 34.44 H new ATOM 0 HB2 LYS A 29 -8.552 -17.522 -0.070 1.00 53.31 H new ATOM 0 HB3 LYS A 29 -8.000 -18.711 -1.233 1.00 53.31 H new ATOM 0 HG2 LYS A 29 -9.332 -19.482 1.401 1.00 24.31 H new ATOM 0 HG3 LYS A 29 -10.239 -19.220 -0.075 1.00 24.31 H new ATOM 0 HD2 LYS A 29 -9.006 -21.016 -1.220 1.00 31.31 H new ATOM 0 HD3 LYS A 29 -7.930 -21.207 0.150 1.00 31.31 H new ATOM 0 HE2 LYS A 29 -9.456 -22.928 0.570 1.00 22.22 H new ATOM 0 HE3 LYS A 29 -10.175 -21.635 1.508 1.00 22.22 H new ATOM 0 HZ1 LYS A 29 -11.812 -22.727 0.123 1.00 64.33 H new ATOM 0 HZ2 LYS A 29 -11.618 -21.113 -0.368 1.00 64.33 H new ATOM 0 HZ3 LYS A 29 -10.921 -22.366 -1.277 1.00 64.33 H new ATOM 426 N PHE A 30 -6.059 -16.467 0.414 1.00 12.33 N ATOM 427 CA PHE A 30 -5.099 -15.432 0.069 1.00 15.31 C ATOM 428 C PHE A 30 -3.673 -15.873 0.403 1.00 31.13 C ATOM 429 O PHE A 30 -2.837 -16.009 -0.488 1.00 63.32 O ATOM 430 CB PHE A 30 -5.449 -14.200 0.907 1.00 71.21 C ATOM 431 CG PHE A 30 -4.981 -12.878 0.295 1.00 21.23 C ATOM 432 CD1 PHE A 30 -3.678 -12.718 -0.061 1.00 53.45 C ATOM 433 CD2 PHE A 30 -5.867 -11.864 0.108 1.00 11.35 C ATOM 434 CE1 PHE A 30 -3.244 -11.491 -0.629 1.00 43.30 C ATOM 435 CE2 PHE A 30 -5.433 -10.637 -0.459 1.00 45.30 C ATOM 436 CZ PHE A 30 -4.130 -10.476 -0.816 1.00 21.12 C ATOM 0 H PHE A 30 -6.930 -16.123 0.818 1.00 12.33 H new ATOM 0 HA PHE A 30 -5.145 -15.224 -1.000 1.00 15.31 H new ATOM 0 HB2 PHE A 30 -6.530 -14.162 1.045 1.00 71.21 H new ATOM 0 HB3 PHE A 30 -5.005 -14.308 1.896 1.00 71.21 H new ATOM 0 HD1 PHE A 30 -2.974 -13.523 0.088 1.00 53.45 H new ATOM 0 HD2 PHE A 30 -6.901 -11.992 0.391 1.00 11.35 H new ATOM 0 HE1 PHE A 30 -2.210 -11.364 -0.913 1.00 43.30 H new ATOM 0 HE2 PHE A 30 -6.137 -9.831 -0.607 1.00 45.30 H new ATOM 0 HZ PHE A 30 -3.799 -9.543 -1.248 1.00 21.12 H new ATOM 446 N PHE A 31 -3.439 -16.084 1.690 1.00 33.22 N ATOM 447 CA PHE A 31 -2.129 -16.507 2.153 1.00 24.32 C ATOM 448 C PHE A 31 -1.716 -17.827 1.499 1.00 65.14 C ATOM 449 O PHE A 31 -0.527 -18.105 1.349 1.00 5.43 O ATOM 450 CB PHE A 31 -2.233 -16.713 3.666 1.00 55.23 C ATOM 451 CG PHE A 31 -2.312 -15.411 4.467 1.00 61.45 C ATOM 452 CD1 PHE A 31 -3.418 -15.135 5.209 1.00 64.33 C ATOM 453 CD2 PHE A 31 -1.276 -14.531 4.436 1.00 1.22 C ATOM 454 CE1 PHE A 31 -3.490 -13.928 5.952 1.00 54.52 C ATOM 455 CE2 PHE A 31 -1.349 -13.323 5.179 1.00 3.03 C ATOM 456 CZ PHE A 31 -2.455 -13.047 5.921 1.00 5.25 C ATOM 0 H PHE A 31 -4.135 -15.970 2.427 1.00 33.22 H new ATOM 0 HA PHE A 31 -1.383 -15.755 1.895 1.00 24.32 H new ATOM 0 HB2 PHE A 31 -3.117 -17.314 3.881 1.00 55.23 H new ATOM 0 HB3 PHE A 31 -1.369 -17.284 4.005 1.00 55.23 H new ATOM 0 HD1 PHE A 31 -4.241 -15.834 5.233 1.00 64.33 H new ATOM 0 HD2 PHE A 31 -0.398 -14.751 3.847 1.00 1.22 H new ATOM 0 HE1 PHE A 31 -4.367 -13.709 6.542 1.00 54.52 H new ATOM 0 HE2 PHE A 31 -0.526 -12.624 5.155 1.00 3.03 H new ATOM 0 HZ PHE A 31 -2.511 -12.128 6.486 1.00 5.25 H new ATOM 466 N LYS A 32 -2.720 -18.606 1.125 1.00 15.35 N ATOM 467 CA LYS A 32 -2.477 -19.890 0.490 1.00 4.43 C ATOM 468 C LYS A 32 -2.152 -19.669 -0.988 1.00 40.45 C ATOM 469 O LYS A 32 -1.542 -20.524 -1.628 1.00 74.15 O ATOM 470 CB LYS A 32 -3.655 -20.837 0.726 1.00 2.44 C ATOM 471 CG LYS A 32 -3.612 -21.424 2.139 1.00 42.33 C ATOM 472 CD LYS A 32 -4.946 -22.079 2.501 1.00 60.43 C ATOM 473 CE LYS A 32 -4.832 -22.871 3.805 1.00 3.10 C ATOM 474 NZ LYS A 32 -5.796 -23.994 3.816 1.00 0.31 N ATOM 0 H LYS A 32 -3.705 -18.372 1.250 1.00 15.35 H new ATOM 0 HA LYS A 32 -1.612 -20.379 0.938 1.00 4.43 H new ATOM 0 HB2 LYS A 32 -4.592 -20.301 0.580 1.00 2.44 H new ATOM 0 HB3 LYS A 32 -3.631 -21.643 -0.007 1.00 2.44 H new ATOM 0 HG2 LYS A 32 -2.811 -22.160 2.207 1.00 42.33 H new ATOM 0 HG3 LYS A 32 -3.383 -20.637 2.857 1.00 42.33 H new ATOM 0 HD2 LYS A 32 -5.715 -21.314 2.602 1.00 60.43 H new ATOM 0 HD3 LYS A 32 -5.260 -22.742 1.695 1.00 60.43 H new ATOM 0 HE2 LYS A 32 -3.818 -23.254 3.917 1.00 3.10 H new ATOM 0 HE3 LYS A 32 -5.021 -22.214 4.654 1.00 3.10 H new ATOM 0 HZ1 LYS A 32 -5.705 -24.521 4.708 1.00 0.31 H new ATOM 0 HZ2 LYS A 32 -6.763 -23.622 3.731 1.00 0.31 H new ATOM 0 HZ3 LYS A 32 -5.598 -24.629 3.017 1.00 0.31 H new ATOM 487 N ALA A 33 -2.574 -18.516 -1.488 1.00 62.32 N ATOM 488 CA ALA A 33 -2.336 -18.172 -2.880 1.00 23.13 C ATOM 489 C ALA A 33 -0.882 -17.726 -3.049 1.00 22.44 C ATOM 490 O ALA A 33 -0.117 -18.354 -3.780 1.00 34.01 O ATOM 491 CB ALA A 33 -3.330 -17.095 -3.317 1.00 13.34 C ATOM 0 H ALA A 33 -3.079 -17.809 -0.954 1.00 62.32 H new ATOM 0 HA ALA A 33 -2.492 -19.039 -3.522 1.00 23.13 H new ATOM 0 HB1 ALA A 33 -3.151 -16.837 -4.361 1.00 13.34 H new ATOM 0 HB2 ALA A 33 -4.347 -17.471 -3.205 1.00 13.34 H new ATOM 0 HB3 ALA A 33 -3.201 -16.208 -2.697 1.00 13.34 H new ATOM 497 N CYS A 34 -0.544 -16.646 -2.360 1.00 63.20 N ATOM 498 CA CYS A 34 0.805 -16.109 -2.425 1.00 30.23 C ATOM 499 C CYS A 34 1.768 -17.162 -1.873 1.00 62.22 C ATOM 500 O CYS A 34 2.968 -17.110 -2.138 1.00 63.10 O ATOM 501 CB CYS A 34 0.921 -14.781 -1.675 1.00 3.33 C ATOM 502 SG CYS A 34 0.195 -14.940 -0.003 1.00 35.12 S ATOM 0 H CYS A 34 -1.181 -16.128 -1.754 1.00 63.20 H new ATOM 0 HA CYS A 34 1.063 -15.890 -3.461 1.00 30.23 H new ATOM 0 HB2 CYS A 34 1.968 -14.487 -1.599 1.00 3.33 H new ATOM 0 HB3 CYS A 34 0.409 -13.995 -2.230 1.00 3.33 H new ATOM 0 HG CYS A 34 -1.066 -15.241 -0.104 1.00 35.12 H new ATOM 508 N GLY A 35 1.206 -18.093 -1.117 1.00 24.45 N ATOM 509 CA GLY A 35 2.001 -19.157 -0.525 1.00 74.05 C ATOM 510 C GLY A 35 2.367 -18.827 0.923 1.00 63.50 C ATOM 511 O GLY A 35 2.930 -19.662 1.630 1.00 70.11 O ATOM 0 H GLY A 35 0.210 -18.133 -0.900 1.00 24.45 H new ATOM 0 HA2 GLY A 35 1.444 -20.094 -0.559 1.00 74.05 H new ATOM 0 HA3 GLY A 35 2.909 -19.305 -1.109 1.00 74.05 H new ATOM 515 N LEU A 36 2.033 -17.609 1.322 1.00 44.13 N ATOM 516 CA LEU A 36 2.320 -17.159 2.673 1.00 4.21 C ATOM 517 C LEU A 36 2.040 -18.298 3.656 1.00 40.43 C ATOM 518 O LEU A 36 2.675 -18.387 4.705 1.00 20.04 O ATOM 519 CB LEU A 36 1.550 -15.874 2.985 1.00 43.02 C ATOM 520 CG LEU A 36 2.303 -14.565 2.739 1.00 53.42 C ATOM 521 CD1 LEU A 36 1.376 -13.359 2.911 1.00 23.31 C ATOM 522 CD2 LEU A 36 3.541 -14.468 3.632 1.00 43.23 C ATOM 0 H LEU A 36 1.566 -16.919 0.733 1.00 44.13 H new ATOM 0 HA LEU A 36 3.375 -16.903 2.773 1.00 4.21 H new ATOM 0 HB2 LEU A 36 0.640 -15.865 2.386 1.00 43.02 H new ATOM 0 HB3 LEU A 36 1.243 -15.903 4.030 1.00 43.02 H new ATOM 0 HG LEU A 36 2.651 -14.560 1.706 1.00 53.42 H new ATOM 0 HD11 LEU A 36 1.936 -12.441 2.731 1.00 23.31 H new ATOM 0 HD12 LEU A 36 0.553 -13.428 2.199 1.00 23.31 H new ATOM 0 HD13 LEU A 36 0.978 -13.348 3.926 1.00 23.31 H new ATOM 0 HD21 LEU A 36 4.058 -13.528 3.437 1.00 43.23 H new ATOM 0 HD22 LEU A 36 3.239 -14.505 4.679 1.00 43.23 H new ATOM 0 HD23 LEU A 36 4.210 -15.301 3.418 1.00 43.23 H new ATOM 534 N SER A 37 1.088 -19.139 3.280 1.00 24.43 N ATOM 535 CA SER A 37 0.716 -20.269 4.115 1.00 1.24 C ATOM 536 C SER A 37 1.876 -21.264 4.197 1.00 55.20 C ATOM 537 O SER A 37 2.293 -21.648 5.288 1.00 33.34 O ATOM 538 CB SER A 37 -0.539 -20.960 3.580 1.00 55.44 C ATOM 539 OG SER A 37 -0.224 -22.014 2.675 1.00 63.14 O ATOM 0 H SER A 37 0.563 -19.061 2.409 1.00 24.43 H new ATOM 0 HA SER A 37 0.494 -19.896 5.115 1.00 1.24 H new ATOM 0 HB2 SER A 37 -1.116 -21.359 4.414 1.00 55.44 H new ATOM 0 HB3 SER A 37 -1.170 -20.227 3.077 1.00 55.44 H new ATOM 0 HG SER A 37 -0.822 -22.773 2.836 1.00 63.14 H new ATOM 545 N GLY A 38 2.363 -21.652 3.028 1.00 61.40 N ATOM 546 CA GLY A 38 3.466 -22.595 2.953 1.00 22.33 C ATOM 547 C GLY A 38 4.811 -21.877 3.081 1.00 21.00 C ATOM 548 O GLY A 38 5.865 -22.505 2.996 1.00 21.50 O ATOM 0 H GLY A 38 2.014 -21.331 2.125 1.00 61.40 H new ATOM 0 HA2 GLY A 38 3.369 -23.337 3.745 1.00 22.33 H new ATOM 0 HA3 GLY A 38 3.426 -23.133 2.006 1.00 22.33 H new ATOM 552 N LYS A 39 4.731 -20.570 3.283 1.00 31.12 N ATOM 553 CA LYS A 39 5.929 -19.760 3.423 1.00 12.45 C ATOM 554 C LYS A 39 6.623 -20.107 4.742 1.00 62.53 C ATOM 555 O LYS A 39 6.127 -20.930 5.510 1.00 4.14 O ATOM 556 CB LYS A 39 5.591 -18.274 3.280 1.00 74.42 C ATOM 557 CG LYS A 39 5.519 -17.868 1.806 1.00 21.33 C ATOM 558 CD LYS A 39 6.839 -18.163 1.092 1.00 65.33 C ATOM 559 CE LYS A 39 7.082 -17.168 -0.045 1.00 0.03 C ATOM 560 NZ LYS A 39 8.057 -17.716 -1.014 1.00 51.12 N ATOM 0 H LYS A 39 3.855 -20.052 3.353 1.00 31.12 H new ATOM 0 HA LYS A 39 6.634 -19.982 2.622 1.00 12.45 H new ATOM 0 HB2 LYS A 39 4.637 -18.066 3.765 1.00 74.42 H new ATOM 0 HB3 LYS A 39 6.346 -17.675 3.790 1.00 74.42 H new ATOM 0 HG2 LYS A 39 4.708 -18.406 1.316 1.00 21.33 H new ATOM 0 HG3 LYS A 39 5.289 -16.805 1.728 1.00 21.33 H new ATOM 0 HD2 LYS A 39 7.662 -18.113 1.806 1.00 65.33 H new ATOM 0 HD3 LYS A 39 6.823 -19.178 0.695 1.00 65.33 H new ATOM 0 HE2 LYS A 39 6.142 -16.948 -0.551 1.00 0.03 H new ATOM 0 HE3 LYS A 39 7.453 -16.227 0.361 1.00 0.03 H new ATOM 0 HZ1 LYS A 39 8.210 -17.028 -1.779 1.00 51.12 H new ATOM 0 HZ2 LYS A 39 8.959 -17.903 -0.531 1.00 51.12 H new ATOM 0 HZ3 LYS A 39 7.688 -18.602 -1.414 1.00 51.12 H new ATOM 573 N SER A 40 7.760 -19.464 4.963 1.00 40.15 N ATOM 574 CA SER A 40 8.528 -19.695 6.174 1.00 14.05 C ATOM 575 C SER A 40 8.045 -18.760 7.286 1.00 62.25 C ATOM 576 O SER A 40 7.788 -17.582 7.043 1.00 62.15 O ATOM 577 CB SER A 40 10.024 -19.495 5.925 1.00 32.42 C ATOM 578 OG SER A 40 10.635 -20.663 5.384 1.00 24.42 O ATOM 0 H SER A 40 8.168 -18.783 4.323 1.00 40.15 H new ATOM 0 HA SER A 40 8.374 -20.729 6.484 1.00 14.05 H new ATOM 0 HB2 SER A 40 10.169 -18.659 5.240 1.00 32.42 H new ATOM 0 HB3 SER A 40 10.515 -19.229 6.861 1.00 32.42 H new ATOM 0 HG SER A 40 11.589 -20.495 5.237 1.00 24.42 H new ATOM 584 N THR A 41 7.937 -19.321 8.481 1.00 10.31 N ATOM 585 CA THR A 41 7.490 -18.552 9.630 1.00 21.14 C ATOM 586 C THR A 41 8.391 -17.333 9.839 1.00 34.15 C ATOM 587 O THR A 41 8.019 -16.395 10.543 1.00 34.43 O ATOM 588 CB THR A 41 7.447 -19.490 10.838 1.00 13.14 C ATOM 589 OG1 THR A 41 6.169 -20.114 10.748 1.00 52.12 O ATOM 590 CG2 THR A 41 7.398 -18.732 12.167 1.00 52.13 C ATOM 0 H THR A 41 8.151 -20.298 8.679 1.00 10.31 H new ATOM 0 HA THR A 41 6.488 -18.153 9.474 1.00 21.14 H new ATOM 0 HB THR A 41 8.321 -20.141 10.823 1.00 13.14 H new ATOM 0 HG1 THR A 41 6.058 -20.741 11.493 1.00 52.12 H new ATOM 0 HG21 THR A 41 7.369 -19.444 12.991 1.00 52.13 H new ATOM 0 HG22 THR A 41 8.284 -18.105 12.261 1.00 52.13 H new ATOM 0 HG23 THR A 41 6.506 -18.106 12.196 1.00 52.13 H new ATOM 598 N ASP A 42 9.558 -17.386 9.215 1.00 11.31 N ATOM 599 CA ASP A 42 10.515 -16.297 9.324 1.00 74.41 C ATOM 600 C ASP A 42 9.970 -15.070 8.591 1.00 73.03 C ATOM 601 O ASP A 42 9.716 -14.036 9.207 1.00 21.21 O ATOM 602 CB ASP A 42 11.853 -16.674 8.685 1.00 74.40 C ATOM 603 CG ASP A 42 12.869 -15.535 8.593 1.00 3.33 C ATOM 604 OD1 ASP A 42 12.985 -14.707 9.509 1.00 24.24 O ATOM 605 OD2 ASP A 42 13.571 -15.516 7.511 1.00 53.43 O ATOM 0 H ASP A 42 9.863 -18.165 8.632 1.00 11.31 H new ATOM 0 HA ASP A 42 10.667 -16.086 10.383 1.00 74.41 H new ATOM 0 HB2 ASP A 42 12.295 -17.490 9.257 1.00 74.40 H new ATOM 0 HB3 ASP A 42 11.665 -17.055 7.681 1.00 74.40 H new ATOM 611 N GLU A 43 9.806 -15.225 7.285 1.00 12.31 N ATOM 612 CA GLU A 43 9.296 -14.142 6.461 1.00 13.24 C ATOM 613 C GLU A 43 7.963 -13.635 7.017 1.00 42.22 C ATOM 614 O GLU A 43 7.709 -12.431 7.029 1.00 63.34 O ATOM 615 CB GLU A 43 9.150 -14.584 5.004 1.00 53.41 C ATOM 616 CG GLU A 43 7.792 -15.247 4.766 1.00 72.15 C ATOM 617 CD GLU A 43 7.644 -15.684 3.307 1.00 54.24 C ATOM 618 OE1 GLU A 43 6.656 -15.323 2.649 1.00 61.31 O ATOM 619 OE2 GLU A 43 8.601 -16.423 2.859 1.00 70.51 O ATOM 0 H GLU A 43 10.017 -16.084 6.777 1.00 12.31 H new ATOM 0 HA GLU A 43 10.014 -13.322 6.487 1.00 13.24 H new ATOM 0 HB2 GLU A 43 9.258 -13.722 4.346 1.00 53.41 H new ATOM 0 HB3 GLU A 43 9.949 -15.281 4.750 1.00 53.41 H new ATOM 0 HG2 GLU A 43 7.686 -16.112 5.421 1.00 72.15 H new ATOM 0 HG3 GLU A 43 6.993 -14.551 5.024 1.00 72.15 H new ATOM 627 N VAL A 44 7.147 -14.578 7.463 1.00 23.43 N ATOM 628 CA VAL A 44 5.847 -14.242 8.019 1.00 63.34 C ATOM 629 C VAL A 44 5.988 -13.024 8.934 1.00 71.32 C ATOM 630 O VAL A 44 5.231 -12.062 8.813 1.00 22.12 O ATOM 631 CB VAL A 44 5.252 -15.459 8.730 1.00 53.00 C ATOM 632 CG1 VAL A 44 3.973 -15.083 9.482 1.00 64.01 C ATOM 633 CG2 VAL A 44 4.992 -16.599 7.743 1.00 43.43 C ATOM 0 H VAL A 44 7.361 -15.575 7.451 1.00 23.43 H new ATOM 0 HA VAL A 44 5.150 -13.973 7.226 1.00 63.34 H new ATOM 0 HB VAL A 44 5.981 -15.809 9.461 1.00 53.00 H new ATOM 0 HG11 VAL A 44 3.570 -15.966 9.979 1.00 64.01 H new ATOM 0 HG12 VAL A 44 4.200 -14.320 10.226 1.00 64.01 H new ATOM 0 HG13 VAL A 44 3.237 -14.696 8.777 1.00 64.01 H new ATOM 0 HG21 VAL A 44 4.569 -17.451 8.275 1.00 43.43 H new ATOM 0 HG22 VAL A 44 4.291 -16.265 6.978 1.00 43.43 H new ATOM 0 HG23 VAL A 44 5.930 -16.894 7.272 1.00 43.43 H new ATOM 643 N LYS A 45 6.962 -13.106 9.829 1.00 53.45 N ATOM 644 CA LYS A 45 7.211 -12.022 10.764 1.00 42.23 C ATOM 645 C LYS A 45 7.446 -10.726 9.985 1.00 1.10 C ATOM 646 O LYS A 45 6.952 -9.667 10.371 1.00 65.51 O ATOM 647 CB LYS A 45 8.355 -12.385 11.712 1.00 24.42 C ATOM 648 CG LYS A 45 8.002 -13.614 12.552 1.00 34.15 C ATOM 649 CD LYS A 45 9.263 -14.290 13.094 1.00 10.20 C ATOM 650 CE LYS A 45 8.911 -15.536 13.908 1.00 72.50 C ATOM 651 NZ LYS A 45 7.875 -15.221 14.917 1.00 75.25 N ATOM 0 H LYS A 45 7.588 -13.906 9.926 1.00 53.45 H new ATOM 0 HA LYS A 45 6.340 -11.859 11.399 1.00 42.23 H new ATOM 0 HB2 LYS A 45 9.260 -12.581 11.137 1.00 24.42 H new ATOM 0 HB3 LYS A 45 8.570 -11.541 12.368 1.00 24.42 H new ATOM 0 HG2 LYS A 45 7.358 -13.319 13.381 1.00 34.15 H new ATOM 0 HG3 LYS A 45 7.437 -14.323 11.946 1.00 34.15 H new ATOM 0 HD2 LYS A 45 9.917 -14.565 12.266 1.00 10.20 H new ATOM 0 HD3 LYS A 45 9.816 -13.588 13.718 1.00 10.20 H new ATOM 0 HE2 LYS A 45 8.553 -16.322 13.244 1.00 72.50 H new ATOM 0 HE3 LYS A 45 9.804 -15.919 14.402 1.00 72.50 H new ATOM 0 HZ1 LYS A 45 7.975 -15.863 15.729 1.00 75.25 H new ATOM 0 HZ2 LYS A 45 7.989 -14.238 15.237 1.00 75.25 H new ATOM 0 HZ3 LYS A 45 6.932 -15.340 14.495 1.00 75.25 H new ATOM 664 N LYS A 46 8.200 -10.852 8.903 1.00 50.12 N ATOM 665 CA LYS A 46 8.506 -9.704 8.066 1.00 4.24 C ATOM 666 C LYS A 46 7.230 -9.232 7.367 1.00 33.34 C ATOM 667 O LYS A 46 7.074 -8.045 7.086 1.00 31.03 O ATOM 668 CB LYS A 46 9.649 -10.032 7.104 1.00 63.13 C ATOM 669 CG LYS A 46 10.775 -10.778 7.823 1.00 2.41 C ATOM 670 CD LYS A 46 12.132 -10.465 7.189 1.00 22.14 C ATOM 671 CE LYS A 46 12.790 -9.261 7.867 1.00 33.34 C ATOM 672 NZ LYS A 46 14.012 -8.858 7.136 1.00 33.21 N ATOM 0 H LYS A 46 8.608 -11.732 8.586 1.00 50.12 H new ATOM 0 HA LYS A 46 8.861 -8.873 8.675 1.00 4.24 H new ATOM 0 HB2 LYS A 46 9.273 -10.640 6.281 1.00 63.13 H new ATOM 0 HB3 LYS A 46 10.038 -9.112 6.669 1.00 63.13 H new ATOM 0 HG2 LYS A 46 10.788 -10.497 8.876 1.00 2.41 H new ATOM 0 HG3 LYS A 46 10.589 -11.851 7.782 1.00 2.41 H new ATOM 0 HD2 LYS A 46 12.785 -11.334 7.271 1.00 22.14 H new ATOM 0 HD3 LYS A 46 12.003 -10.262 6.126 1.00 22.14 H new ATOM 0 HE2 LYS A 46 12.088 -8.427 7.902 1.00 33.34 H new ATOM 0 HE3 LYS A 46 13.041 -9.509 8.898 1.00 33.34 H new ATOM 0 HZ1 LYS A 46 14.446 -8.040 7.609 1.00 33.21 H new ATOM 0 HZ2 LYS A 46 14.687 -9.649 7.125 1.00 33.21 H new ATOM 0 HZ3 LYS A 46 13.763 -8.601 6.159 1.00 33.21 H new ATOM 685 N ALA A 47 6.349 -10.187 7.107 1.00 73.01 N ATOM 686 CA ALA A 47 5.091 -9.884 6.446 1.00 35.30 C ATOM 687 C ALA A 47 4.195 -9.094 7.402 1.00 53.12 C ATOM 688 O ALA A 47 3.521 -8.151 6.990 1.00 74.23 O ATOM 689 CB ALA A 47 4.436 -11.184 5.974 1.00 31.21 C ATOM 0 H ALA A 47 6.481 -11.171 7.342 1.00 73.01 H new ATOM 0 HA ALA A 47 5.260 -9.265 5.565 1.00 35.30 H new ATOM 0 HB1 ALA A 47 3.492 -10.957 5.478 1.00 31.21 H new ATOM 0 HB2 ALA A 47 5.100 -11.693 5.275 1.00 31.21 H new ATOM 0 HB3 ALA A 47 4.249 -11.830 6.832 1.00 31.21 H new ATOM 695 N PHE A 48 4.216 -9.507 8.660 1.00 24.34 N ATOM 696 CA PHE A 48 3.415 -8.850 9.678 1.00 15.31 C ATOM 697 C PHE A 48 3.725 -7.353 9.738 1.00 2.35 C ATOM 698 O PHE A 48 2.905 -6.563 10.204 1.00 21.24 O ATOM 699 CB PHE A 48 3.781 -9.489 11.019 1.00 64.02 C ATOM 700 CG PHE A 48 3.202 -8.762 12.234 1.00 20.01 C ATOM 701 CD1 PHE A 48 2.209 -9.340 12.962 1.00 2.45 C ATOM 702 CD2 PHE A 48 3.680 -7.538 12.586 1.00 73.31 C ATOM 703 CE1 PHE A 48 1.672 -8.665 14.090 1.00 14.13 C ATOM 704 CE2 PHE A 48 3.142 -6.864 13.714 1.00 50.52 C ATOM 705 CZ PHE A 48 2.149 -7.441 14.442 1.00 22.11 C ATOM 0 H PHE A 48 4.776 -10.290 8.998 1.00 24.34 H new ATOM 0 HA PHE A 48 2.356 -8.966 9.449 1.00 15.31 H new ATOM 0 HB2 PHE A 48 3.431 -10.521 11.025 1.00 64.02 H new ATOM 0 HB3 PHE A 48 4.867 -9.520 11.111 1.00 64.02 H new ATOM 0 HD1 PHE A 48 1.829 -10.312 12.682 1.00 2.45 H new ATOM 0 HD2 PHE A 48 4.468 -7.079 12.008 1.00 73.31 H new ATOM 0 HE1 PHE A 48 0.884 -9.124 14.669 1.00 14.13 H new ATOM 0 HE2 PHE A 48 3.522 -5.892 13.994 1.00 50.52 H new ATOM 0 HZ PHE A 48 1.739 -6.928 15.299 1.00 22.11 H new ATOM 715 N ALA A 49 4.912 -7.007 9.261 1.00 73.44 N ATOM 716 CA ALA A 49 5.341 -5.619 9.254 1.00 31.23 C ATOM 717 C ALA A 49 4.825 -4.936 7.986 1.00 21.21 C ATOM 718 O ALA A 49 4.574 -3.732 7.983 1.00 21.05 O ATOM 719 CB ALA A 49 6.865 -5.555 9.372 1.00 31.33 C ATOM 0 H ALA A 49 5.590 -7.665 8.876 1.00 73.44 H new ATOM 0 HA ALA A 49 4.925 -5.085 10.108 1.00 31.23 H new ATOM 0 HB1 ALA A 49 7.187 -4.514 9.367 1.00 31.33 H new ATOM 0 HB2 ALA A 49 7.178 -6.027 10.303 1.00 31.33 H new ATOM 0 HB3 ALA A 49 7.317 -6.079 8.530 1.00 31.33 H new ATOM 725 N ILE A 50 4.682 -5.735 6.939 1.00 42.24 N ATOM 726 CA ILE A 50 4.201 -5.222 5.667 1.00 72.30 C ATOM 727 C ILE A 50 2.903 -4.444 5.894 1.00 61.41 C ATOM 728 O ILE A 50 2.798 -3.280 5.512 1.00 3.10 O ATOM 729 CB ILE A 50 4.068 -6.356 4.648 1.00 22.11 C ATOM 730 CG1 ILE A 50 5.416 -7.042 4.412 1.00 14.42 C ATOM 731 CG2 ILE A 50 3.446 -5.852 3.345 1.00 54.33 C ATOM 732 CD1 ILE A 50 6.294 -6.215 3.471 1.00 1.33 C ATOM 0 H ILE A 50 4.891 -6.733 6.945 1.00 42.24 H new ATOM 0 HA ILE A 50 4.921 -4.524 5.241 1.00 72.30 H new ATOM 0 HB ILE A 50 3.392 -7.106 5.058 1.00 22.11 H new ATOM 0 HG12 ILE A 50 5.928 -7.182 5.364 1.00 14.42 H new ATOM 0 HG13 ILE A 50 5.255 -8.033 3.988 1.00 14.42 H new ATOM 0 HG21 ILE A 50 3.363 -6.678 2.638 1.00 54.33 H new ATOM 0 HG22 ILE A 50 2.455 -5.447 3.548 1.00 54.33 H new ATOM 0 HG23 ILE A 50 4.077 -5.072 2.919 1.00 54.33 H new ATOM 0 HD11 ILE A 50 7.246 -6.724 3.320 1.00 1.33 H new ATOM 0 HD12 ILE A 50 5.789 -6.097 2.512 1.00 1.33 H new ATOM 0 HD13 ILE A 50 6.473 -5.233 3.910 1.00 1.33 H new ATOM 744 N ILE A 51 1.947 -5.120 6.514 1.00 12.45 N ATOM 745 CA ILE A 51 0.660 -4.506 6.797 1.00 61.32 C ATOM 746 C ILE A 51 0.849 -3.383 7.818 1.00 53.51 C ATOM 747 O ILE A 51 0.727 -2.206 7.481 1.00 54.10 O ATOM 748 CB ILE A 51 -0.355 -5.566 7.229 1.00 32.01 C ATOM 749 CG1 ILE A 51 -0.134 -6.878 6.473 1.00 1.14 C ATOM 750 CG2 ILE A 51 -1.787 -5.049 7.074 1.00 61.35 C ATOM 751 CD1 ILE A 51 0.637 -7.882 7.333 1.00 71.24 C ATOM 0 H ILE A 51 2.037 -6.086 6.828 1.00 12.45 H new ATOM 0 HA ILE A 51 0.248 -4.052 5.896 1.00 61.32 H new ATOM 0 HB ILE A 51 -0.201 -5.775 8.288 1.00 32.01 H new ATOM 0 HG12 ILE A 51 -1.096 -7.303 6.185 1.00 1.14 H new ATOM 0 HG13 ILE A 51 0.417 -6.683 5.553 1.00 1.14 H new ATOM 0 HG21 ILE A 51 -2.489 -5.822 7.388 1.00 61.35 H new ATOM 0 HG22 ILE A 51 -1.923 -4.162 7.693 1.00 61.35 H new ATOM 0 HG23 ILE A 51 -1.971 -4.794 6.030 1.00 61.35 H new ATOM 0 HD11 ILE A 51 0.781 -8.806 6.773 1.00 71.24 H new ATOM 0 HD12 ILE A 51 1.608 -7.464 7.599 1.00 71.24 H new ATOM 0 HD13 ILE A 51 0.072 -8.093 8.241 1.00 71.24 H new ATOM 763 N ASP A 52 1.143 -3.785 9.045 1.00 4.03 N ATOM 764 CA ASP A 52 1.350 -2.827 10.118 1.00 41.42 C ATOM 765 C ASP A 52 2.153 -1.638 9.586 1.00 50.22 C ATOM 766 O ASP A 52 3.365 -1.736 9.401 1.00 41.32 O ATOM 767 CB ASP A 52 2.138 -3.451 11.271 1.00 63.55 C ATOM 768 CG ASP A 52 1.286 -3.973 12.429 1.00 73.31 C ATOM 769 OD1 ASP A 52 0.700 -3.192 13.194 1.00 64.15 O ATOM 770 OD2 ASP A 52 1.234 -5.258 12.532 1.00 24.14 O ATOM 0 H ASP A 52 1.243 -4.762 9.321 1.00 4.03 H new ATOM 0 HA ASP A 52 0.372 -2.511 10.480 1.00 41.42 H new ATOM 0 HB2 ASP A 52 2.735 -4.274 10.879 1.00 63.55 H new ATOM 0 HB3 ASP A 52 2.835 -2.708 11.659 1.00 63.55 H new ATOM 776 N GLN A 53 1.445 -0.542 9.355 1.00 73.22 N ATOM 777 CA GLN A 53 2.076 0.664 8.848 1.00 42.23 C ATOM 778 C GLN A 53 2.822 1.386 9.972 1.00 33.11 C ATOM 779 O GLN A 53 3.616 2.286 9.783 1.00 24.34 O ATOM 780 CB GLN A 53 1.048 1.587 8.191 1.00 14.23 C ATOM 781 CG GLN A 53 0.239 0.840 7.129 1.00 31.42 C ATOM 782 CD GLN A 53 -0.884 1.719 6.575 1.00 2.11 C ATOM 783 OE1 GLN A 53 -0.656 2.713 5.905 1.00 63.43 O ATOM 784 NE2 GLN A 53 -2.106 1.300 6.891 1.00 23.25 N ATOM 0 H GLN A 53 0.440 -0.464 9.510 1.00 73.22 H new ATOM 0 HA GLN A 53 2.799 0.378 8.084 1.00 42.23 H new ATOM 0 HB2 GLN A 53 0.376 1.987 8.950 1.00 14.23 H new ATOM 0 HB3 GLN A 53 1.556 2.437 7.735 1.00 14.23 H new ATOM 0 HG2 GLN A 53 0.897 0.530 6.317 1.00 31.42 H new ATOM 0 HG3 GLN A 53 -0.184 -0.067 7.561 1.00 31.42 H new ATOM 0 HE21 GLN A 53 -2.227 0.459 7.456 1.00 23.25 H new ATOM 0 HE22 GLN A 53 -2.922 1.819 6.569 1.00 23.25 H new ATOM 793 N ASP A 54 2.545 0.965 11.176 1.00 41.55 N ATOM 794 CA ASP A 54 3.211 1.584 12.356 1.00 0.32 C ATOM 795 C ASP A 54 4.020 0.527 13.115 1.00 44.14 C ATOM 796 O ASP A 54 5.066 0.882 13.656 1.00 65.13 O ATOM 797 CB ASP A 54 2.068 2.110 13.225 1.00 53.33 C ATOM 798 CG ASP A 54 0.912 1.108 13.211 1.00 3.25 C ATOM 799 OD1 ASP A 54 1.169 -0.059 12.965 1.00 74.31 O ATOM 800 OD2 ASP A 54 -0.211 1.524 13.446 1.00 23.34 O ATOM 0 H ASP A 54 1.885 0.218 11.393 1.00 41.55 H new ATOM 0 HA ASP A 54 3.904 2.376 12.074 1.00 0.32 H new ATOM 0 HB2 ASP A 54 2.416 2.266 14.246 1.00 53.33 H new ATOM 0 HB3 ASP A 54 1.729 3.077 12.853 1.00 53.33 H new ATOM 805 N LYS A 55 3.541 -0.708 13.145 1.00 12.53 N ATOM 806 CA LYS A 55 4.245 -1.767 13.848 1.00 43.24 C ATOM 807 C LYS A 55 4.216 -1.483 15.351 1.00 61.32 C ATOM 808 O LYS A 55 5.263 -1.399 15.991 1.00 43.14 O ATOM 809 CB LYS A 55 5.656 -1.939 13.281 1.00 2.34 C ATOM 810 CG LYS A 55 5.620 -2.116 11.762 1.00 14.40 C ATOM 811 CD LYS A 55 5.394 -0.775 11.059 1.00 33.43 C ATOM 812 CE LYS A 55 6.001 -0.784 9.655 1.00 54.32 C ATOM 813 NZ LYS A 55 7.325 -0.123 9.659 1.00 51.04 N ATOM 0 H LYS A 55 2.674 -0.999 12.694 1.00 12.53 H new ATOM 0 HA LYS A 55 3.746 -2.724 13.695 1.00 43.24 H new ATOM 0 HB2 LYS A 55 6.262 -1.069 13.535 1.00 2.34 H new ATOM 0 HB3 LYS A 55 6.133 -2.805 13.740 1.00 2.34 H new ATOM 0 HG2 LYS A 55 6.557 -2.556 11.421 1.00 14.40 H new ATOM 0 HG3 LYS A 55 4.825 -2.811 11.492 1.00 14.40 H new ATOM 0 HD2 LYS A 55 4.326 -0.569 10.996 1.00 33.43 H new ATOM 0 HD3 LYS A 55 5.840 0.028 11.647 1.00 33.43 H new ATOM 0 HE2 LYS A 55 6.101 -1.810 9.302 1.00 54.32 H new ATOM 0 HE3 LYS A 55 5.334 -0.272 8.961 1.00 54.32 H new ATOM 0 HZ1 LYS A 55 7.723 -0.138 8.698 1.00 51.04 H new ATOM 0 HZ2 LYS A 55 7.220 0.862 9.975 1.00 51.04 H new ATOM 0 HZ3 LYS A 55 7.963 -0.628 10.306 1.00 51.04 H new ATOM 826 N SER A 56 3.006 -1.344 15.871 1.00 74.11 N ATOM 827 CA SER A 56 2.826 -1.072 17.287 1.00 42.10 C ATOM 828 C SER A 56 3.165 -2.319 18.107 1.00 50.35 C ATOM 829 O SER A 56 3.489 -2.220 19.289 1.00 12.40 O ATOM 830 CB SER A 56 1.397 -0.614 17.583 1.00 33.40 C ATOM 831 OG SER A 56 0.947 0.368 16.653 1.00 30.52 O ATOM 0 H SER A 56 2.140 -1.415 15.337 1.00 74.11 H new ATOM 0 HA SER A 56 3.502 -0.265 17.569 1.00 42.10 H new ATOM 0 HB2 SER A 56 0.728 -1.474 17.554 1.00 33.40 H new ATOM 0 HB3 SER A 56 1.349 -0.206 18.593 1.00 33.40 H new ATOM 0 HG SER A 56 0.030 0.633 16.875 1.00 30.52 H new ATOM 837 N GLY A 57 3.079 -3.464 17.445 1.00 13.35 N ATOM 838 CA GLY A 57 3.372 -4.728 18.098 1.00 60.51 C ATOM 839 C GLY A 57 2.305 -5.775 17.771 1.00 54.32 C ATOM 840 O GLY A 57 2.578 -6.974 17.792 1.00 4.30 O ATOM 0 H GLY A 57 2.811 -3.542 16.464 1.00 13.35 H new ATOM 0 HA2 GLY A 57 4.350 -5.088 17.779 1.00 60.51 H new ATOM 0 HA3 GLY A 57 3.423 -4.581 19.177 1.00 60.51 H new ATOM 844 N PHE A 58 1.110 -5.283 17.476 1.00 43.21 N ATOM 845 CA PHE A 58 0.000 -6.160 17.145 1.00 64.32 C ATOM 846 C PHE A 58 -0.858 -5.561 16.029 1.00 35.13 C ATOM 847 O PHE A 58 -0.841 -4.351 15.809 1.00 1.05 O ATOM 848 CB PHE A 58 -0.851 -6.301 18.408 1.00 0.32 C ATOM 849 CG PHE A 58 -0.273 -7.268 19.443 1.00 34.23 C ATOM 850 CD1 PHE A 58 0.815 -6.910 20.176 1.00 14.34 C ATOM 851 CD2 PHE A 58 -0.848 -8.487 19.630 1.00 0.54 C ATOM 852 CE1 PHE A 58 1.351 -7.807 21.137 1.00 34.50 C ATOM 853 CE2 PHE A 58 -0.312 -9.384 20.591 1.00 21.40 C ATOM 854 CZ PHE A 58 0.776 -9.026 21.324 1.00 1.11 C ATOM 0 H PHE A 58 0.887 -4.288 17.459 1.00 43.21 H new ATOM 0 HA PHE A 58 0.377 -7.123 16.799 1.00 64.32 H new ATOM 0 HB2 PHE A 58 -0.966 -5.319 18.868 1.00 0.32 H new ATOM 0 HB3 PHE A 58 -1.848 -6.640 18.126 1.00 0.32 H new ATOM 0 HD1 PHE A 58 1.272 -5.943 20.027 1.00 14.34 H new ATOM 0 HD2 PHE A 58 -1.712 -8.772 19.048 1.00 0.54 H new ATOM 0 HE1 PHE A 58 2.215 -7.522 21.719 1.00 34.50 H new ATOM 0 HE2 PHE A 58 -0.769 -10.351 20.740 1.00 21.40 H new ATOM 0 HZ PHE A 58 1.184 -9.709 22.054 1.00 1.11 H new ATOM 864 N ILE A 59 -1.590 -6.436 15.354 1.00 3.24 N ATOM 865 CA ILE A 59 -2.454 -6.008 14.267 1.00 24.31 C ATOM 866 C ILE A 59 -3.875 -5.814 14.798 1.00 55.34 C ATOM 867 O ILE A 59 -4.717 -6.702 14.670 1.00 65.22 O ATOM 868 CB ILE A 59 -2.363 -6.987 13.095 1.00 53.05 C ATOM 869 CG1 ILE A 59 -1.009 -6.877 12.392 1.00 43.13 C ATOM 870 CG2 ILE A 59 -3.530 -6.790 12.125 1.00 50.44 C ATOM 871 CD1 ILE A 59 -0.949 -7.796 11.170 1.00 42.33 C ATOM 0 H ILE A 59 -1.602 -7.439 15.539 1.00 3.24 H new ATOM 0 HA ILE A 59 -2.126 -5.045 13.875 1.00 24.31 H new ATOM 0 HB ILE A 59 -2.439 -8.000 13.490 1.00 53.05 H new ATOM 0 HG12 ILE A 59 -0.838 -5.845 12.084 1.00 43.13 H new ATOM 0 HG13 ILE A 59 -0.212 -7.139 13.088 1.00 43.13 H new ATOM 0 HG21 ILE A 59 -3.442 -7.498 11.301 1.00 50.44 H new ATOM 0 HG22 ILE A 59 -4.471 -6.958 12.649 1.00 50.44 H new ATOM 0 HG23 ILE A 59 -3.510 -5.773 11.733 1.00 50.44 H new ATOM 0 HD11 ILE A 59 0.024 -7.698 10.689 1.00 42.33 H new ATOM 0 HD12 ILE A 59 -1.096 -8.829 11.484 1.00 42.33 H new ATOM 0 HD13 ILE A 59 -1.732 -7.516 10.465 1.00 42.33 H new ATOM 883 N GLU A 60 -4.100 -4.646 15.382 1.00 52.03 N ATOM 884 CA GLU A 60 -5.406 -4.323 15.932 1.00 22.51 C ATOM 885 C GLU A 60 -6.502 -4.621 14.907 1.00 11.02 C ATOM 886 O GLU A 60 -6.243 -4.645 13.705 1.00 22.51 O ATOM 887 CB GLU A 60 -5.463 -2.864 16.388 1.00 32.34 C ATOM 888 CG GLU A 60 -4.713 -2.672 17.708 1.00 64.42 C ATOM 889 CD GLU A 60 -3.199 -2.733 17.492 1.00 72.25 C ATOM 890 OE1 GLU A 60 -2.643 -3.826 17.305 1.00 1.34 O ATOM 891 OE2 GLU A 60 -2.598 -1.592 17.521 1.00 70.24 O ATOM 0 H GLU A 60 -3.400 -3.912 15.486 1.00 52.03 H new ATOM 0 HA GLU A 60 -5.575 -4.950 16.808 1.00 22.51 H new ATOM 0 HB2 GLU A 60 -5.028 -2.223 15.622 1.00 32.34 H new ATOM 0 HB3 GLU A 60 -6.502 -2.557 16.508 1.00 32.34 H new ATOM 0 HG2 GLU A 60 -4.983 -1.712 18.147 1.00 64.42 H new ATOM 0 HG3 GLU A 60 -5.014 -3.443 18.417 1.00 64.42 H new ATOM 899 N GLU A 61 -7.704 -4.840 15.420 1.00 1.43 N ATOM 900 CA GLU A 61 -8.841 -5.134 14.565 1.00 63.43 C ATOM 901 C GLU A 61 -8.924 -4.119 13.424 1.00 43.44 C ATOM 902 O GLU A 61 -9.476 -4.413 12.365 1.00 54.22 O ATOM 903 CB GLU A 61 -10.141 -5.161 15.370 1.00 30.44 C ATOM 904 CG GLU A 61 -11.340 -5.458 14.467 1.00 42.41 C ATOM 905 CD GLU A 61 -12.650 -5.393 15.255 1.00 4.32 C ATOM 906 OE1 GLU A 61 -12.626 -5.237 16.485 1.00 22.52 O ATOM 907 OE2 GLU A 61 -13.720 -5.509 14.545 1.00 41.05 O ATOM 0 H GLU A 61 -7.915 -4.820 16.418 1.00 1.43 H new ATOM 0 HA GLU A 61 -8.699 -6.125 14.134 1.00 63.43 H new ATOM 0 HB2 GLU A 61 -10.073 -5.918 16.151 1.00 30.44 H new ATOM 0 HB3 GLU A 61 -10.285 -4.202 15.867 1.00 30.44 H new ATOM 0 HG2 GLU A 61 -11.369 -4.740 13.647 1.00 42.41 H new ATOM 0 HG3 GLU A 61 -11.228 -6.447 14.022 1.00 42.41 H new ATOM 915 N GLU A 62 -8.366 -2.944 13.678 1.00 54.21 N ATOM 916 CA GLU A 62 -8.370 -1.883 12.685 1.00 14.22 C ATOM 917 C GLU A 62 -7.469 -2.255 11.506 1.00 21.44 C ATOM 918 O GLU A 62 -7.808 -1.993 10.354 1.00 74.14 O ATOM 919 CB GLU A 62 -7.941 -0.551 13.304 1.00 33.11 C ATOM 920 CG GLU A 62 -8.764 -0.238 14.556 1.00 44.02 C ATOM 921 CD GLU A 62 -8.713 1.255 14.885 1.00 15.33 C ATOM 922 OE1 GLU A 62 -8.229 1.637 15.961 1.00 35.23 O ATOM 923 OE2 GLU A 62 -9.199 2.031 13.976 1.00 33.11 O ATOM 0 H GLU A 62 -7.908 -2.704 14.557 1.00 54.21 H new ATOM 0 HA GLU A 62 -9.388 -1.763 12.315 1.00 14.22 H new ATOM 0 HB2 GLU A 62 -6.882 -0.589 13.561 1.00 33.11 H new ATOM 0 HB3 GLU A 62 -8.063 0.249 12.574 1.00 33.11 H new ATOM 0 HG2 GLU A 62 -9.798 -0.545 14.402 1.00 44.02 H new ATOM 0 HG3 GLU A 62 -8.383 -0.813 15.400 1.00 44.02 H new ATOM 931 N GLU A 63 -6.338 -2.861 11.836 1.00 23.02 N ATOM 932 CA GLU A 63 -5.385 -3.272 10.819 1.00 22.21 C ATOM 933 C GLU A 63 -5.910 -4.494 10.063 1.00 60.12 C ATOM 934 O GLU A 63 -5.744 -4.595 8.848 1.00 31.32 O ATOM 935 CB GLU A 63 -4.014 -3.557 11.435 1.00 4.54 C ATOM 936 CG GLU A 63 -3.134 -2.305 11.416 1.00 3.02 C ATOM 937 CD GLU A 63 -2.146 -2.311 12.585 1.00 72.12 C ATOM 938 OE1 GLU A 63 -1.053 -1.731 12.407 1.00 31.51 O ATOM 939 OE2 GLU A 63 -2.507 -2.895 13.630 1.00 62.25 O ATOM 0 H GLU A 63 -6.060 -3.077 12.793 1.00 23.02 H new ATOM 0 HA GLU A 63 -5.265 -2.453 10.110 1.00 22.21 H new ATOM 0 HB2 GLU A 63 -4.137 -3.904 12.461 1.00 4.54 H new ATOM 0 HB3 GLU A 63 -3.523 -4.359 10.884 1.00 4.54 H new ATOM 0 HG2 GLU A 63 -2.588 -2.254 10.474 1.00 3.02 H new ATOM 0 HG3 GLU A 63 -3.761 -1.415 11.469 1.00 3.02 H new ATOM 946 N LEU A 64 -6.533 -5.392 10.812 1.00 1.44 N ATOM 947 CA LEU A 64 -7.083 -6.603 10.228 1.00 54.41 C ATOM 948 C LEU A 64 -7.916 -6.237 8.997 1.00 23.03 C ATOM 949 O LEU A 64 -7.786 -6.864 7.947 1.00 33.32 O ATOM 950 CB LEU A 64 -7.857 -7.401 11.279 1.00 54.11 C ATOM 951 CG LEU A 64 -7.049 -8.434 12.066 1.00 61.42 C ATOM 952 CD1 LEU A 64 -7.923 -9.138 13.106 1.00 40.12 C ATOM 953 CD2 LEU A 64 -6.366 -9.428 11.124 1.00 23.44 C ATOM 0 H LEU A 64 -6.669 -5.305 11.819 1.00 1.44 H new ATOM 0 HA LEU A 64 -6.282 -7.260 9.888 1.00 54.41 H new ATOM 0 HB2 LEU A 64 -8.299 -6.699 11.986 1.00 54.11 H new ATOM 0 HB3 LEU A 64 -8.680 -7.915 10.783 1.00 54.11 H new ATOM 0 HG LEU A 64 -6.262 -7.911 12.609 1.00 61.42 H new ATOM 0 HD11 LEU A 64 -7.324 -9.867 13.651 1.00 40.12 H new ATOM 0 HD12 LEU A 64 -8.322 -8.402 13.804 1.00 40.12 H new ATOM 0 HD13 LEU A 64 -8.746 -9.647 12.605 1.00 40.12 H new ATOM 0 HD21 LEU A 64 -5.798 -10.152 11.708 1.00 23.44 H new ATOM 0 HD22 LEU A 64 -7.121 -9.949 10.536 1.00 23.44 H new ATOM 0 HD23 LEU A 64 -5.692 -8.892 10.456 1.00 23.44 H new ATOM 965 N LYS A 65 -8.752 -5.223 9.168 1.00 62.52 N ATOM 966 CA LYS A 65 -9.605 -4.767 8.084 1.00 12.20 C ATOM 967 C LYS A 65 -8.738 -4.161 6.979 1.00 52.24 C ATOM 968 O LYS A 65 -9.122 -4.168 5.810 1.00 44.21 O ATOM 969 CB LYS A 65 -10.681 -3.816 8.613 1.00 4.22 C ATOM 970 CG LYS A 65 -11.834 -3.683 7.616 1.00 21.25 C ATOM 971 CD LYS A 65 -12.543 -2.336 7.774 1.00 64.40 C ATOM 972 CE LYS A 65 -12.877 -2.061 9.241 1.00 30.13 C ATOM 973 NZ LYS A 65 -11.710 -1.475 9.938 1.00 62.51 N ATOM 0 H LYS A 65 -8.857 -4.705 10.040 1.00 62.52 H new ATOM 0 HA LYS A 65 -10.143 -5.606 7.643 1.00 12.20 H new ATOM 0 HB2 LYS A 65 -11.060 -4.185 9.566 1.00 4.22 H new ATOM 0 HB3 LYS A 65 -10.244 -2.836 8.802 1.00 4.22 H new ATOM 0 HG2 LYS A 65 -11.453 -3.781 6.599 1.00 21.25 H new ATOM 0 HG3 LYS A 65 -12.547 -4.493 7.769 1.00 21.25 H new ATOM 0 HD2 LYS A 65 -11.908 -1.539 7.386 1.00 64.40 H new ATOM 0 HD3 LYS A 65 -13.458 -2.331 7.182 1.00 64.40 H new ATOM 0 HE2 LYS A 65 -13.726 -1.380 9.305 1.00 30.13 H new ATOM 0 HE3 LYS A 65 -13.174 -2.988 9.732 1.00 30.13 H new ATOM 0 HZ1 LYS A 65 -12.026 -0.693 10.546 1.00 62.51 H new ATOM 0 HZ2 LYS A 65 -11.252 -2.204 10.521 1.00 62.51 H new ATOM 0 HZ3 LYS A 65 -11.031 -1.116 9.237 1.00 62.51 H new ATOM 986 N LEU A 66 -7.586 -3.651 7.387 1.00 4.02 N ATOM 987 CA LEU A 66 -6.661 -3.042 6.446 1.00 20.21 C ATOM 988 C LEU A 66 -5.656 -4.094 5.972 1.00 31.11 C ATOM 989 O LEU A 66 -4.535 -3.760 5.592 1.00 51.12 O ATOM 990 CB LEU A 66 -6.009 -1.802 7.061 1.00 32.23 C ATOM 991 CG LEU A 66 -6.964 -0.687 7.493 1.00 43.14 C ATOM 992 CD1 LEU A 66 -6.223 0.645 7.633 1.00 73.43 C ATOM 993 CD2 LEU A 66 -8.154 -0.583 6.536 1.00 24.24 C ATOM 0 H LEU A 66 -7.271 -3.647 8.357 1.00 4.02 H new ATOM 0 HA LEU A 66 -7.194 -2.689 5.563 1.00 20.21 H new ATOM 0 HB2 LEU A 66 -5.429 -2.114 7.930 1.00 32.23 H new ATOM 0 HB3 LEU A 66 -5.304 -1.390 6.339 1.00 32.23 H new ATOM 0 HG LEU A 66 -7.362 -0.939 8.476 1.00 43.14 H new ATOM 0 HD11 LEU A 66 -6.924 1.421 7.941 1.00 73.43 H new ATOM 0 HD12 LEU A 66 -5.438 0.547 8.383 1.00 73.43 H new ATOM 0 HD13 LEU A 66 -5.779 0.917 6.675 1.00 73.43 H new ATOM 0 HD21 LEU A 66 -8.817 0.217 6.866 1.00 24.24 H new ATOM 0 HD22 LEU A 66 -7.794 -0.365 5.530 1.00 24.24 H new ATOM 0 HD23 LEU A 66 -8.699 -1.527 6.529 1.00 24.24 H new ATOM 1005 N PHE A 67 -6.094 -5.344 6.010 1.00 1.15 N ATOM 1006 CA PHE A 67 -5.247 -6.447 5.590 1.00 43.13 C ATOM 1007 C PHE A 67 -5.043 -6.434 4.073 1.00 32.42 C ATOM 1008 O PHE A 67 -4.282 -7.239 3.539 1.00 70.42 O ATOM 1009 CB PHE A 67 -5.965 -7.739 5.985 1.00 3.43 C ATOM 1010 CG PHE A 67 -5.381 -8.998 5.341 1.00 41.42 C ATOM 1011 CD1 PHE A 67 -4.052 -9.264 5.451 1.00 22.11 C ATOM 1012 CD2 PHE A 67 -6.191 -9.850 4.658 1.00 50.03 C ATOM 1013 CE1 PHE A 67 -3.510 -10.432 4.853 1.00 30.40 C ATOM 1014 CE2 PHE A 67 -5.649 -11.018 4.060 1.00 72.35 C ATOM 1015 CZ PHE A 67 -4.320 -11.285 4.170 1.00 50.12 C ATOM 0 H PHE A 67 -7.025 -5.617 6.325 1.00 1.15 H new ATOM 0 HA PHE A 67 -4.268 -6.365 6.063 1.00 43.13 H new ATOM 0 HB2 PHE A 67 -5.927 -7.847 7.069 1.00 3.43 H new ATOM 0 HB3 PHE A 67 -7.016 -7.657 5.710 1.00 3.43 H new ATOM 0 HD1 PHE A 67 -3.409 -8.587 5.993 1.00 22.11 H new ATOM 0 HD2 PHE A 67 -7.246 -9.638 4.570 1.00 50.03 H new ATOM 0 HE1 PHE A 67 -2.454 -10.643 4.940 1.00 30.40 H new ATOM 0 HE2 PHE A 67 -6.292 -11.695 3.517 1.00 72.35 H new ATOM 0 HZ PHE A 67 -3.908 -12.174 3.715 1.00 50.12 H new ATOM 1025 N LEU A 68 -5.737 -5.512 3.423 1.00 50.02 N ATOM 1026 CA LEU A 68 -5.642 -5.384 1.978 1.00 30.15 C ATOM 1027 C LEU A 68 -4.772 -4.174 1.634 1.00 5.12 C ATOM 1028 O LEU A 68 -4.235 -4.084 0.531 1.00 72.31 O ATOM 1029 CB LEU A 68 -7.037 -5.336 1.352 1.00 71.41 C ATOM 1030 CG LEU A 68 -7.763 -6.678 1.229 1.00 52.53 C ATOM 1031 CD1 LEU A 68 -9.008 -6.548 0.349 1.00 33.03 C ATOM 1032 CD2 LEU A 68 -6.817 -7.769 0.725 1.00 22.11 C ATOM 0 H LEU A 68 -6.368 -4.846 3.870 1.00 50.02 H new ATOM 0 HA LEU A 68 -5.155 -6.260 1.549 1.00 30.15 H new ATOM 0 HB2 LEU A 68 -7.657 -4.663 1.945 1.00 71.41 H new ATOM 0 HB3 LEU A 68 -6.952 -4.898 0.357 1.00 71.41 H new ATOM 0 HG LEU A 68 -8.099 -6.977 2.222 1.00 52.53 H new ATOM 0 HD11 LEU A 68 -9.506 -7.515 0.278 1.00 33.03 H new ATOM 0 HD12 LEU A 68 -9.690 -5.820 0.789 1.00 33.03 H new ATOM 0 HD13 LEU A 68 -8.716 -6.216 -0.647 1.00 33.03 H new ATOM 0 HD21 LEU A 68 -7.358 -8.712 0.647 1.00 22.11 H new ATOM 0 HD22 LEU A 68 -6.430 -7.490 -0.255 1.00 22.11 H new ATOM 0 HD23 LEU A 68 -5.988 -7.883 1.424 1.00 22.11 H new ATOM 1044 N GLN A 69 -4.658 -3.273 2.599 1.00 32.01 N ATOM 1045 CA GLN A 69 -3.862 -2.072 2.412 1.00 70.01 C ATOM 1046 C GLN A 69 -2.376 -2.386 2.596 1.00 20.31 C ATOM 1047 O GLN A 69 -1.534 -1.494 2.509 1.00 22.01 O ATOM 1048 CB GLN A 69 -4.310 -0.963 3.366 1.00 51.13 C ATOM 1049 CG GLN A 69 -5.736 -0.509 3.048 1.00 74.51 C ATOM 1050 CD GLN A 69 -6.114 0.727 3.866 1.00 20.25 C ATOM 1051 OE1 GLN A 69 -5.315 1.285 4.600 1.00 43.42 O ATOM 1052 NE2 GLN A 69 -7.373 1.122 3.701 1.00 72.42 N ATOM 0 H GLN A 69 -5.104 -3.351 3.513 1.00 32.01 H new ATOM 0 HA GLN A 69 -4.014 -1.714 1.394 1.00 70.01 H new ATOM 0 HB2 GLN A 69 -4.259 -1.321 4.394 1.00 51.13 H new ATOM 0 HB3 GLN A 69 -3.629 -0.115 3.289 1.00 51.13 H new ATOM 0 HG2 GLN A 69 -5.822 -0.286 1.985 1.00 74.51 H new ATOM 0 HG3 GLN A 69 -6.435 -1.318 3.261 1.00 74.51 H new ATOM 0 HE21 GLN A 69 -7.990 0.610 3.071 1.00 72.42 H new ATOM 0 HE22 GLN A 69 -7.722 1.937 4.205 1.00 72.42 H new ATOM 1061 N ASN A 70 -2.099 -3.657 2.847 1.00 34.42 N ATOM 1062 CA ASN A 70 -0.730 -4.100 3.044 1.00 24.44 C ATOM 1063 C ASN A 70 -0.062 -4.301 1.682 1.00 0.04 C ATOM 1064 O ASN A 70 1.064 -3.855 1.467 1.00 11.33 O ATOM 1065 CB ASN A 70 -0.684 -5.433 3.794 1.00 74.41 C ATOM 1066 CG ASN A 70 -1.685 -6.429 3.203 1.00 11.22 C ATOM 1067 OD1 ASN A 70 -2.521 -6.094 2.381 1.00 54.34 O ATOM 1068 ND2 ASN A 70 -1.553 -7.668 3.667 1.00 34.14 N ATOM 0 H ASN A 70 -2.800 -4.394 2.918 1.00 34.42 H new ATOM 0 HA ASN A 70 -0.211 -3.340 3.628 1.00 24.44 H new ATOM 0 HB2 ASN A 70 0.322 -5.849 3.742 1.00 74.41 H new ATOM 0 HB3 ASN A 70 -0.908 -5.269 4.848 1.00 74.41 H new ATOM 0 HD21 ASN A 70 -2.174 -8.406 3.335 1.00 34.14 H new ATOM 0 HD22 ASN A 70 -0.831 -7.881 4.355 1.00 34.14 H new ATOM 1075 N PHE A 71 -0.785 -4.973 0.798 1.00 4.31 N ATOM 1076 CA PHE A 71 -0.276 -5.238 -0.537 1.00 53.21 C ATOM 1077 C PHE A 71 -0.506 -4.039 -1.459 1.00 52.24 C ATOM 1078 O PHE A 71 -0.293 -4.131 -2.667 1.00 55.44 O ATOM 1079 CB PHE A 71 -1.051 -6.440 -1.080 1.00 54.12 C ATOM 1080 CG PHE A 71 -1.149 -7.611 -0.101 1.00 21.42 C ATOM 1081 CD1 PHE A 71 -0.017 -8.190 0.382 1.00 62.43 C ATOM 1082 CD2 PHE A 71 -2.368 -8.074 0.287 1.00 4.22 C ATOM 1083 CE1 PHE A 71 -0.107 -9.278 1.290 1.00 12.45 C ATOM 1084 CE2 PHE A 71 -2.458 -9.161 1.196 1.00 31.10 C ATOM 1085 CZ PHE A 71 -1.326 -9.740 1.678 1.00 21.15 C ATOM 0 H PHE A 71 -1.718 -5.342 0.980 1.00 4.31 H new ATOM 0 HA PHE A 71 0.796 -5.430 -0.496 1.00 53.21 H new ATOM 0 HB2 PHE A 71 -2.057 -6.119 -1.349 1.00 54.12 H new ATOM 0 HB3 PHE A 71 -0.571 -6.785 -1.996 1.00 54.12 H new ATOM 0 HD1 PHE A 71 0.951 -7.822 0.075 1.00 62.43 H new ATOM 0 HD2 PHE A 71 -3.267 -7.615 -0.096 1.00 4.22 H new ATOM 0 HE1 PHE A 71 0.792 -9.738 1.672 1.00 12.45 H new ATOM 0 HE2 PHE A 71 -3.426 -9.528 1.505 1.00 31.10 H new ATOM 0 HZ PHE A 71 -1.395 -10.567 2.369 1.00 21.15 H new ATOM 1095 N LYS A 72 -0.938 -2.942 -0.855 1.00 3.24 N ATOM 1096 CA LYS A 72 -1.199 -1.726 -1.606 1.00 62.15 C ATOM 1097 C LYS A 72 -1.630 -0.619 -0.643 1.00 54.41 C ATOM 1098 O LYS A 72 -2.328 -0.880 0.336 1.00 5.51 O ATOM 1099 CB LYS A 72 -2.206 -1.995 -2.726 1.00 55.50 C ATOM 1100 CG LYS A 72 -1.908 -1.129 -3.952 1.00 0.44 C ATOM 1101 CD LYS A 72 -3.190 -0.814 -4.726 1.00 5.11 C ATOM 1102 CE LYS A 72 -2.871 -0.352 -6.149 1.00 63.54 C ATOM 1103 NZ LYS A 72 -1.991 0.838 -6.124 1.00 32.44 N ATOM 0 H LYS A 72 -1.114 -2.870 0.147 1.00 3.24 H new ATOM 0 HA LYS A 72 -0.291 -1.381 -2.101 1.00 62.15 H new ATOM 0 HB2 LYS A 72 -2.173 -3.048 -3.004 1.00 55.50 H new ATOM 0 HB3 LYS A 72 -3.215 -1.791 -2.369 1.00 55.50 H new ATOM 0 HG2 LYS A 72 -1.431 -0.200 -3.638 1.00 0.44 H new ATOM 0 HG3 LYS A 72 -1.203 -1.645 -4.604 1.00 0.44 H new ATOM 0 HD2 LYS A 72 -3.825 -1.699 -4.761 1.00 5.11 H new ATOM 0 HD3 LYS A 72 -3.752 -0.039 -4.205 1.00 5.11 H new ATOM 0 HE2 LYS A 72 -2.386 -1.158 -6.699 1.00 63.54 H new ATOM 0 HE3 LYS A 72 -3.795 -0.117 -6.677 1.00 63.54 H new ATOM 0 HZ1 LYS A 72 -1.976 1.278 -7.066 1.00 32.44 H new ATOM 0 HZ2 LYS A 72 -2.351 1.522 -5.428 1.00 32.44 H new ATOM 0 HZ3 LYS A 72 -1.027 0.551 -5.860 1.00 32.44 H new ATOM 1116 N ALA A 73 -1.198 0.594 -0.955 1.00 0.43 N ATOM 1117 CA ALA A 73 -1.531 1.743 -0.129 1.00 21.42 C ATOM 1118 C ALA A 73 -2.799 2.405 -0.671 1.00 32.20 C ATOM 1119 O ALA A 73 -2.965 3.619 -0.562 1.00 71.31 O ATOM 1120 CB ALA A 73 -0.342 2.705 -0.089 1.00 71.01 C ATOM 0 H ALA A 73 -0.620 0.807 -1.768 1.00 0.43 H new ATOM 0 HA ALA A 73 -1.734 1.433 0.896 1.00 21.42 H new ATOM 0 HB1 ALA A 73 -0.592 3.567 0.530 1.00 71.01 H new ATOM 0 HB2 ALA A 73 0.525 2.195 0.331 1.00 71.01 H new ATOM 0 HB3 ALA A 73 -0.111 3.040 -1.100 1.00 71.01 H new ATOM 1126 N GLY A 74 -3.662 1.578 -1.243 1.00 64.24 N ATOM 1127 CA GLY A 74 -4.910 2.068 -1.803 1.00 21.12 C ATOM 1128 C GLY A 74 -5.902 0.923 -2.016 1.00 34.04 C ATOM 1129 O GLY A 74 -6.763 0.997 -2.891 1.00 42.34 O ATOM 0 H GLY A 74 -3.521 0.572 -1.331 1.00 64.24 H new ATOM 0 HA2 GLY A 74 -5.345 2.812 -1.135 1.00 21.12 H new ATOM 0 HA3 GLY A 74 -4.716 2.567 -2.752 1.00 21.12 H new ATOM 1133 N ALA A 75 -5.749 -0.110 -1.200 1.00 14.54 N ATOM 1134 CA ALA A 75 -6.621 -1.269 -1.287 1.00 54.55 C ATOM 1135 C ALA A 75 -7.902 -0.999 -0.494 1.00 62.33 C ATOM 1136 O ALA A 75 -8.003 0.008 0.204 1.00 13.11 O ATOM 1137 CB ALA A 75 -5.876 -2.508 -0.788 1.00 2.41 C ATOM 0 H ALA A 75 -5.034 -0.168 -0.475 1.00 14.54 H new ATOM 0 HA ALA A 75 -6.907 -1.457 -2.322 1.00 54.55 H new ATOM 0 HB1 ALA A 75 -6.531 -3.377 -0.853 1.00 2.41 H new ATOM 0 HB2 ALA A 75 -4.991 -2.673 -1.403 1.00 2.41 H new ATOM 0 HB3 ALA A 75 -5.574 -2.358 0.249 1.00 2.41 H new ATOM 1143 N ARG A 76 -8.847 -1.918 -0.629 1.00 12.33 N ATOM 1144 CA ARG A 76 -10.117 -1.792 0.067 1.00 61.14 C ATOM 1145 C ARG A 76 -9.953 -2.164 1.542 1.00 52.13 C ATOM 1146 O ARG A 76 -8.837 -2.381 2.011 1.00 40.52 O ATOM 1147 CB ARG A 76 -11.182 -2.692 -0.564 1.00 4.21 C ATOM 1148 CG ARG A 76 -10.819 -4.169 -0.399 1.00 20.14 C ATOM 1149 CD ARG A 76 -12.074 -5.024 -0.210 1.00 2.12 C ATOM 1150 NE ARG A 76 -11.807 -6.416 -0.635 1.00 43.14 N ATOM 1151 CZ ARG A 76 -12.617 -7.460 -0.361 1.00 54.01 C ATOM 1152 NH1 ARG A 76 -12.281 -8.662 -0.791 1.00 4.14 N ATOM 1153 NH2 ARG A 76 -13.755 -7.278 0.342 1.00 13.31 N ATOM 0 H ARG A 76 -8.759 -2.752 -1.209 1.00 12.33 H new ATOM 0 HA ARG A 76 -10.439 -0.754 -0.016 1.00 61.14 H new ATOM 0 HB2 ARG A 76 -12.149 -2.497 -0.100 1.00 4.21 H new ATOM 0 HB3 ARG A 76 -11.283 -2.455 -1.623 1.00 4.21 H new ATOM 0 HG2 ARG A 76 -10.269 -4.512 -1.275 1.00 20.14 H new ATOM 0 HG3 ARG A 76 -10.159 -4.291 0.459 1.00 20.14 H new ATOM 0 HD2 ARG A 76 -12.382 -5.007 0.836 1.00 2.12 H new ATOM 0 HD3 ARG A 76 -12.898 -4.609 -0.791 1.00 2.12 H new ATOM 0 HE ARG A 76 -10.957 -6.598 -1.169 1.00 43.14 H new ATOM 0 HH11 ARG A 76 -11.420 -8.791 -1.322 1.00 4.14 H new ATOM 0 HH12 ARG A 76 -12.883 -9.461 -0.592 1.00 4.14 H new ATOM 0 HH21 ARG A 76 -14.008 -6.346 0.670 1.00 13.31 H new ATOM 0 HH22 ARG A 76 -14.362 -8.072 0.545 1.00 13.31 H new ATOM 1166 N ALA A 77 -11.082 -2.226 2.232 1.00 34.50 N ATOM 1167 CA ALA A 77 -11.078 -2.568 3.644 1.00 32.43 C ATOM 1168 C ALA A 77 -12.143 -3.635 3.909 1.00 4.05 C ATOM 1169 O ALA A 77 -13.320 -3.426 3.623 1.00 74.54 O ATOM 1170 CB ALA A 77 -11.300 -1.304 4.477 1.00 41.25 C ATOM 0 H ALA A 77 -12.006 -2.045 1.840 1.00 34.50 H new ATOM 0 HA ALA A 77 -10.114 -2.985 3.935 1.00 32.43 H new ATOM 0 HB1 ALA A 77 -11.297 -1.561 5.536 1.00 41.25 H new ATOM 0 HB2 ALA A 77 -10.502 -0.590 4.275 1.00 41.25 H new ATOM 0 HB3 ALA A 77 -12.260 -0.859 4.214 1.00 41.25 H new ATOM 1176 N LEU A 78 -11.690 -4.755 4.454 1.00 2.42 N ATOM 1177 CA LEU A 78 -12.588 -5.854 4.761 1.00 35.33 C ATOM 1178 C LEU A 78 -13.807 -5.316 5.514 1.00 30.41 C ATOM 1179 O LEU A 78 -13.797 -4.181 5.987 1.00 55.10 O ATOM 1180 CB LEU A 78 -11.844 -6.962 5.509 1.00 63.23 C ATOM 1181 CG LEU A 78 -10.793 -7.727 4.701 1.00 74.41 C ATOM 1182 CD1 LEU A 78 -11.182 -7.796 3.223 1.00 44.34 C ATOM 1183 CD2 LEU A 78 -9.402 -7.124 4.901 1.00 64.42 C ATOM 0 H LEU A 78 -10.712 -4.924 4.691 1.00 2.42 H new ATOM 0 HA LEU A 78 -12.956 -6.312 3.843 1.00 35.33 H new ATOM 0 HB2 LEU A 78 -11.356 -6.522 6.378 1.00 63.23 H new ATOM 0 HB3 LEU A 78 -12.577 -7.677 5.883 1.00 63.23 H new ATOM 0 HG LEU A 78 -10.755 -8.751 5.072 1.00 74.41 H new ATOM 0 HD11 LEU A 78 -10.419 -8.345 2.671 1.00 44.34 H new ATOM 0 HD12 LEU A 78 -12.140 -8.306 3.122 1.00 44.34 H new ATOM 0 HD13 LEU A 78 -11.265 -6.786 2.821 1.00 44.34 H new ATOM 0 HD21 LEU A 78 -8.674 -7.686 4.316 1.00 64.42 H new ATOM 0 HD22 LEU A 78 -9.406 -6.084 4.574 1.00 64.42 H new ATOM 0 HD23 LEU A 78 -9.133 -7.171 5.956 1.00 64.42 H new ATOM 1195 N SER A 79 -14.827 -6.157 5.602 1.00 71.31 N ATOM 1196 CA SER A 79 -16.051 -5.780 6.289 1.00 24.52 C ATOM 1197 C SER A 79 -16.071 -6.388 7.693 1.00 23.50 C ATOM 1198 O SER A 79 -15.193 -7.175 8.046 1.00 42.44 O ATOM 1199 CB SER A 79 -17.284 -6.225 5.501 1.00 53.43 C ATOM 1200 OG SER A 79 -18.494 -5.772 6.103 1.00 40.34 O ATOM 0 H SER A 79 -14.831 -7.098 5.209 1.00 71.31 H new ATOM 0 HA SER A 79 -16.077 -4.693 6.370 1.00 24.52 H new ATOM 0 HB2 SER A 79 -17.221 -5.843 4.482 1.00 53.43 H new ATOM 0 HB3 SER A 79 -17.298 -7.313 5.433 1.00 53.43 H new ATOM 0 HG SER A 79 -19.258 -6.075 5.570 1.00 40.34 H new ATOM 1206 N ASP A 80 -17.082 -6.001 8.456 1.00 30.44 N ATOM 1207 CA ASP A 80 -17.228 -6.499 9.814 1.00 51.51 C ATOM 1208 C ASP A 80 -17.323 -8.025 9.786 1.00 71.31 C ATOM 1209 O ASP A 80 -17.116 -8.682 10.805 1.00 74.51 O ATOM 1210 CB ASP A 80 -18.503 -5.957 10.464 1.00 23.44 C ATOM 1211 CG ASP A 80 -19.678 -5.748 9.508 1.00 73.13 C ATOM 1212 OD1 ASP A 80 -20.252 -4.651 9.431 1.00 65.22 O ATOM 1213 OD2 ASP A 80 -20.006 -6.784 8.812 1.00 13.13 O ATOM 0 H ASP A 80 -17.808 -5.349 8.160 1.00 30.44 H new ATOM 0 HA ASP A 80 -16.362 -6.171 10.389 1.00 51.51 H new ATOM 0 HB2 ASP A 80 -18.812 -6.645 11.251 1.00 23.44 H new ATOM 0 HB3 ASP A 80 -18.272 -5.006 10.945 1.00 23.44 H new ATOM 1219 N ALA A 81 -17.636 -8.545 8.608 1.00 21.31 N ATOM 1220 CA ALA A 81 -17.761 -9.982 8.434 1.00 62.51 C ATOM 1221 C ALA A 81 -16.388 -10.573 8.107 1.00 70.34 C ATOM 1222 O ALA A 81 -15.828 -11.327 8.900 1.00 25.45 O ATOM 1223 CB ALA A 81 -18.797 -10.277 7.347 1.00 4.01 C ATOM 0 H ALA A 81 -17.807 -7.997 7.765 1.00 21.31 H new ATOM 0 HA ALA A 81 -18.111 -10.451 9.354 1.00 62.51 H new ATOM 0 HB1 ALA A 81 -18.891 -11.355 7.217 1.00 4.01 H new ATOM 0 HB2 ALA A 81 -19.761 -9.862 7.641 1.00 4.01 H new ATOM 0 HB3 ALA A 81 -18.478 -9.824 6.408 1.00 4.01 H new ATOM 1229 N GLU A 82 -15.886 -10.208 6.936 1.00 30.41 N ATOM 1230 CA GLU A 82 -14.589 -10.693 6.494 1.00 55.01 C ATOM 1231 C GLU A 82 -13.561 -10.561 7.619 1.00 14.23 C ATOM 1232 O GLU A 82 -12.912 -11.538 7.989 1.00 1.45 O ATOM 1233 CB GLU A 82 -14.126 -9.952 5.238 1.00 12.23 C ATOM 1234 CG GLU A 82 -15.049 -10.249 4.054 1.00 1.45 C ATOM 1235 CD GLU A 82 -16.172 -9.214 3.962 1.00 51.22 C ATOM 1236 OE1 GLU A 82 -17.341 -9.544 4.208 1.00 35.43 O ATOM 1237 OE2 GLU A 82 -15.794 -8.028 3.621 1.00 75.42 O ATOM 0 H GLU A 82 -16.354 -9.582 6.280 1.00 30.41 H new ATOM 0 HA GLU A 82 -14.685 -11.748 6.239 1.00 55.01 H new ATOM 0 HB2 GLU A 82 -14.109 -8.879 5.430 1.00 12.23 H new ATOM 0 HB3 GLU A 82 -13.106 -10.248 4.992 1.00 12.23 H new ATOM 0 HG2 GLU A 82 -14.472 -10.248 3.129 1.00 1.45 H new ATOM 0 HG3 GLU A 82 -15.476 -11.246 4.162 1.00 1.45 H new ATOM 1245 N THR A 83 -13.446 -9.345 8.132 1.00 2.41 N ATOM 1246 CA THR A 83 -12.508 -9.072 9.208 1.00 63.02 C ATOM 1247 C THR A 83 -12.778 -9.995 10.398 1.00 54.41 C ATOM 1248 O THR A 83 -11.852 -10.391 11.104 1.00 74.01 O ATOM 1249 CB THR A 83 -12.607 -7.586 9.556 1.00 0.44 C ATOM 1250 OG1 THR A 83 -12.031 -6.926 8.432 1.00 32.20 O ATOM 1251 CG2 THR A 83 -11.697 -7.196 10.723 1.00 13.32 C ATOM 0 H THR A 83 -13.987 -8.537 7.823 1.00 2.41 H new ATOM 0 HA THR A 83 -11.483 -9.281 8.902 1.00 63.02 H new ATOM 0 HB THR A 83 -13.640 -7.340 9.802 1.00 0.44 H new ATOM 0 HG1 THR A 83 -11.200 -7.379 8.177 1.00 32.20 H new ATOM 0 HG21 THR A 83 -11.806 -6.131 10.929 1.00 13.32 H new ATOM 0 HG22 THR A 83 -11.976 -7.767 11.608 1.00 13.32 H new ATOM 0 HG23 THR A 83 -10.660 -7.411 10.464 1.00 13.32 H new ATOM 1259 N LYS A 84 -14.052 -10.310 10.584 1.00 42.52 N ATOM 1260 CA LYS A 84 -14.456 -11.178 11.676 1.00 32.13 C ATOM 1261 C LYS A 84 -13.953 -12.598 11.407 1.00 42.53 C ATOM 1262 O LYS A 84 -13.480 -13.276 12.317 1.00 0.24 O ATOM 1263 CB LYS A 84 -15.968 -11.093 11.897 1.00 22.10 C ATOM 1264 CG LYS A 84 -16.307 -10.062 12.976 1.00 73.25 C ATOM 1265 CD LYS A 84 -17.822 -9.893 13.115 1.00 44.34 C ATOM 1266 CE LYS A 84 -18.389 -10.865 14.150 1.00 33.42 C ATOM 1267 NZ LYS A 84 -19.812 -11.155 13.864 1.00 13.51 N ATOM 0 H LYS A 84 -14.817 -9.979 9.996 1.00 42.52 H new ATOM 0 HA LYS A 84 -14.001 -10.850 12.611 1.00 32.13 H new ATOM 0 HB2 LYS A 84 -16.461 -10.823 10.963 1.00 22.10 H new ATOM 0 HB3 LYS A 84 -16.352 -12.070 12.189 1.00 22.10 H new ATOM 0 HG2 LYS A 84 -15.883 -10.376 13.930 1.00 73.25 H new ATOM 0 HG3 LYS A 84 -15.852 -9.104 12.725 1.00 73.25 H new ATOM 0 HD2 LYS A 84 -18.052 -8.869 13.409 1.00 44.34 H new ATOM 0 HD3 LYS A 84 -18.301 -10.063 12.151 1.00 44.34 H new ATOM 0 HE2 LYS A 84 -17.814 -11.791 14.141 1.00 33.42 H new ATOM 0 HE3 LYS A 84 -18.292 -10.439 15.149 1.00 33.42 H new ATOM 0 HZ1 LYS A 84 -20.181 -11.817 14.576 1.00 13.51 H new ATOM 0 HZ2 LYS A 84 -20.359 -10.271 13.895 1.00 13.51 H new ATOM 0 HZ3 LYS A 84 -19.896 -11.581 12.919 1.00 13.51 H new ATOM 1280 N ALA A 85 -14.072 -13.005 10.152 1.00 43.24 N ATOM 1281 CA ALA A 85 -13.635 -14.331 9.751 1.00 64.34 C ATOM 1282 C ALA A 85 -12.109 -14.410 9.841 1.00 53.25 C ATOM 1283 O ALA A 85 -11.557 -15.453 10.186 1.00 72.31 O ATOM 1284 CB ALA A 85 -14.152 -14.636 8.343 1.00 12.24 C ATOM 0 H ALA A 85 -14.465 -12.440 9.399 1.00 43.24 H new ATOM 0 HA ALA A 85 -14.045 -15.088 10.420 1.00 64.34 H new ATOM 0 HB1 ALA A 85 -13.824 -15.631 8.043 1.00 12.24 H new ATOM 0 HB2 ALA A 85 -15.241 -14.596 8.339 1.00 12.24 H new ATOM 0 HB3 ALA A 85 -13.760 -13.898 7.643 1.00 12.24 H new ATOM 1290 N PHE A 86 -11.471 -13.293 9.524 1.00 55.42 N ATOM 1291 CA PHE A 86 -10.021 -13.222 9.564 1.00 3.25 C ATOM 1292 C PHE A 86 -9.526 -12.908 10.978 1.00 35.32 C ATOM 1293 O PHE A 86 -8.358 -13.128 11.294 1.00 32.12 O ATOM 1294 CB PHE A 86 -9.602 -12.087 8.627 1.00 21.33 C ATOM 1295 CG PHE A 86 -8.088 -11.957 8.446 1.00 12.43 C ATOM 1296 CD1 PHE A 86 -7.529 -10.731 8.257 1.00 74.24 C ATOM 1297 CD2 PHE A 86 -7.302 -13.066 8.475 1.00 44.40 C ATOM 1298 CE1 PHE A 86 -6.125 -10.610 8.089 1.00 43.14 C ATOM 1299 CE2 PHE A 86 -5.897 -12.944 8.307 1.00 62.31 C ATOM 1300 CZ PHE A 86 -5.338 -11.719 8.117 1.00 0.12 C ATOM 0 H PHE A 86 -11.932 -12.429 9.238 1.00 55.42 H new ATOM 0 HA PHE A 86 -9.594 -14.178 9.262 1.00 3.25 H new ATOM 0 HB2 PHE A 86 -10.062 -12.246 7.652 1.00 21.33 H new ATOM 0 HB3 PHE A 86 -9.993 -11.146 9.014 1.00 21.33 H new ATOM 0 HD1 PHE A 86 -8.154 -9.850 8.235 1.00 74.24 H new ATOM 0 HD2 PHE A 86 -7.746 -14.039 8.626 1.00 44.40 H new ATOM 0 HE1 PHE A 86 -5.681 -9.637 7.939 1.00 43.14 H new ATOM 0 HE2 PHE A 86 -5.272 -13.825 8.330 1.00 62.31 H new ATOM 0 HZ PHE A 86 -4.270 -11.627 7.988 1.00 0.12 H new ATOM 1310 N LEU A 87 -10.441 -12.400 11.791 1.00 2.40 N ATOM 1311 CA LEU A 87 -10.113 -12.054 13.164 1.00 45.34 C ATOM 1312 C LEU A 87 -10.159 -13.315 14.028 1.00 64.31 C ATOM 1313 O LEU A 87 -9.221 -13.596 14.774 1.00 54.24 O ATOM 1314 CB LEU A 87 -11.023 -10.931 13.665 1.00 4.25 C ATOM 1315 CG LEU A 87 -10.871 -10.553 15.140 1.00 32.45 C ATOM 1316 CD1 LEU A 87 -9.453 -10.062 15.438 1.00 72.31 C ATOM 1317 CD2 LEU A 87 -11.931 -9.531 15.556 1.00 21.24 C ATOM 0 H LEU A 87 -11.409 -12.220 11.525 1.00 2.40 H new ATOM 0 HA LEU A 87 -9.098 -11.662 13.226 1.00 45.34 H new ATOM 0 HB2 LEU A 87 -10.837 -10.043 13.062 1.00 4.25 H new ATOM 0 HB3 LEU A 87 -12.058 -11.224 13.490 1.00 4.25 H new ATOM 0 HG LEU A 87 -11.034 -11.448 15.740 1.00 32.45 H new ATOM 0 HD11 LEU A 87 -9.373 -9.800 16.493 1.00 72.31 H new ATOM 0 HD12 LEU A 87 -8.738 -10.851 15.205 1.00 72.31 H new ATOM 0 HD13 LEU A 87 -9.236 -9.184 14.829 1.00 72.31 H new ATOM 0 HD21 LEU A 87 -11.801 -9.279 16.609 1.00 21.24 H new ATOM 0 HD22 LEU A 87 -11.825 -8.630 14.952 1.00 21.24 H new ATOM 0 HD23 LEU A 87 -12.924 -9.954 15.404 1.00 21.24 H new ATOM 1329 N LYS A 88 -11.259 -14.043 13.899 1.00 45.51 N ATOM 1330 CA LYS A 88 -11.439 -15.268 14.659 1.00 51.31 C ATOM 1331 C LYS A 88 -10.468 -16.331 14.142 1.00 3.05 C ATOM 1332 O LYS A 88 -10.152 -17.286 14.851 1.00 14.52 O ATOM 1333 CB LYS A 88 -12.905 -15.707 14.628 1.00 45.52 C ATOM 1334 CG LYS A 88 -13.598 -15.396 15.956 1.00 71.41 C ATOM 1335 CD LYS A 88 -13.791 -16.669 16.784 1.00 51.53 C ATOM 1336 CE LYS A 88 -14.909 -17.536 16.203 1.00 71.44 C ATOM 1337 NZ LYS A 88 -16.227 -16.898 16.419 1.00 4.13 N ATOM 0 H LYS A 88 -12.034 -13.808 13.279 1.00 45.51 H new ATOM 0 HA LYS A 88 -11.202 -15.103 15.710 1.00 51.31 H new ATOM 0 HB2 LYS A 88 -13.424 -15.199 13.815 1.00 45.52 H new ATOM 0 HB3 LYS A 88 -12.964 -16.776 14.424 1.00 45.52 H new ATOM 0 HG2 LYS A 88 -13.004 -14.677 16.521 1.00 71.41 H new ATOM 0 HG3 LYS A 88 -14.565 -14.931 15.766 1.00 71.41 H new ATOM 0 HD2 LYS A 88 -12.861 -17.236 16.807 1.00 51.53 H new ATOM 0 HD3 LYS A 88 -14.029 -16.404 17.814 1.00 51.53 H new ATOM 0 HE2 LYS A 88 -14.742 -17.688 15.137 1.00 71.44 H new ATOM 0 HE3 LYS A 88 -14.894 -18.520 16.671 1.00 71.44 H new ATOM 0 HZ1 LYS A 88 -16.978 -17.611 16.322 1.00 4.13 H new ATOM 0 HZ2 LYS A 88 -16.261 -16.486 17.373 1.00 4.13 H new ATOM 0 HZ3 LYS A 88 -16.369 -16.148 15.713 1.00 4.13 H new ATOM 1350 N ALA A 89 -10.020 -16.130 12.912 1.00 73.03 N ATOM 1351 CA ALA A 89 -9.091 -17.060 12.292 1.00 11.40 C ATOM 1352 C ALA A 89 -7.808 -17.122 13.124 1.00 74.24 C ATOM 1353 O ALA A 89 -7.504 -18.151 13.726 1.00 15.41 O ATOM 1354 CB ALA A 89 -8.829 -16.632 10.847 1.00 63.14 C ATOM 0 H ALA A 89 -10.283 -15.337 12.327 1.00 73.03 H new ATOM 0 HA ALA A 89 -9.514 -18.064 12.263 1.00 11.40 H new ATOM 0 HB1 ALA A 89 -8.132 -17.329 10.382 1.00 63.14 H new ATOM 0 HB2 ALA A 89 -9.767 -16.632 10.292 1.00 63.14 H new ATOM 0 HB3 ALA A 89 -8.401 -15.630 10.836 1.00 63.14 H new ATOM 1360 N GLY A 90 -7.090 -16.009 13.130 1.00 52.23 N ATOM 1361 CA GLY A 90 -5.847 -15.924 13.877 1.00 32.14 C ATOM 1362 C GLY A 90 -6.118 -15.726 15.370 1.00 23.43 C ATOM 1363 O GLY A 90 -5.787 -16.588 16.184 1.00 13.41 O ATOM 0 H GLY A 90 -7.345 -15.158 12.629 1.00 52.23 H new ATOM 0 HA2 GLY A 90 -5.265 -16.833 13.727 1.00 32.14 H new ATOM 0 HA3 GLY A 90 -5.247 -15.096 13.499 1.00 32.14 H new ATOM 1367 N ASP A 91 -6.716 -14.587 15.685 1.00 50.01 N ATOM 1368 CA ASP A 91 -7.035 -14.265 17.066 1.00 63.25 C ATOM 1369 C ASP A 91 -7.654 -15.491 17.741 1.00 45.15 C ATOM 1370 O ASP A 91 -8.678 -16.001 17.290 1.00 62.44 O ATOM 1371 CB ASP A 91 -8.047 -13.120 17.145 1.00 64.51 C ATOM 1372 CG ASP A 91 -7.929 -12.238 18.389 1.00 21.45 C ATOM 1373 OD1 ASP A 91 -7.825 -12.739 19.519 1.00 13.33 O ATOM 1374 OD2 ASP A 91 -7.947 -10.969 18.162 1.00 50.24 O ATOM 0 H ASP A 91 -6.988 -13.875 15.007 1.00 50.01 H new ATOM 0 HA ASP A 91 -6.113 -13.966 17.564 1.00 63.25 H new ATOM 0 HB2 ASP A 91 -7.933 -12.493 16.261 1.00 64.51 H new ATOM 0 HB3 ASP A 91 -9.052 -13.540 17.110 1.00 64.51 H new ATOM 1380 N SER A 92 -7.006 -15.928 18.810 1.00 3.35 N ATOM 1381 CA SER A 92 -7.480 -17.084 19.552 1.00 4.12 C ATOM 1382 C SER A 92 -8.337 -16.631 20.735 1.00 13.14 C ATOM 1383 O SER A 92 -9.469 -17.025 20.936 1.00 53.22 O ATOM 1384 CB SER A 92 -6.311 -17.941 20.041 1.00 23.24 C ATOM 1385 OG SER A 92 -5.144 -17.161 20.291 1.00 73.42 O ATOM 0 H SER A 92 -6.156 -15.502 19.181 1.00 3.35 H new ATOM 0 HA SER A 92 -8.088 -17.694 18.884 1.00 4.12 H new ATOM 0 HB2 SER A 92 -6.601 -18.462 20.953 1.00 23.24 H new ATOM 0 HB3 SER A 92 -6.084 -18.704 19.296 1.00 23.24 H new ATOM 0 HG SER A 92 -4.421 -17.745 20.603 1.00 73.42 H new ATOM 1391 N ASP A 93 -7.765 -15.775 21.536 1.00 44.34 N ATOM 1392 CA ASP A 93 -8.499 -15.252 22.722 1.00 23.13 C ATOM 1393 C ASP A 93 -9.365 -14.055 22.317 1.00 44.22 C ATOM 1394 O ASP A 93 -9.872 -13.382 23.213 1.00 50.23 O ATOM 1395 CB ASP A 93 -7.408 -14.819 23.703 1.00 54.21 C ATOM 1396 CG ASP A 93 -6.636 -13.635 23.119 1.00 63.35 C ATOM 1397 OD1 ASP A 93 -5.432 -13.759 22.958 1.00 31.05 O ATOM 1398 OD2 ASP A 93 -7.259 -12.623 22.842 1.00 62.33 O ATOM 0 H ASP A 93 -6.818 -15.414 21.420 1.00 44.34 H new ATOM 0 HA ASP A 93 -9.166 -15.995 23.159 1.00 23.13 H new ATOM 0 HB2 ASP A 93 -7.853 -14.541 24.658 1.00 54.21 H new ATOM 0 HB3 ASP A 93 -6.729 -15.649 23.897 1.00 54.21 H new ATOM 1403 N GLY A 94 -9.511 -13.814 21.022 1.00 2.43 N ATOM 1404 CA GLY A 94 -10.311 -12.695 20.555 1.00 15.54 C ATOM 1405 C GLY A 94 -10.126 -11.473 21.458 1.00 33.23 C ATOM 1406 O GLY A 94 -11.041 -11.090 22.186 1.00 30.40 O ATOM 0 H GLY A 94 -9.089 -14.375 20.282 1.00 2.43 H new ATOM 0 HA2 GLY A 94 -10.028 -12.443 19.533 1.00 15.54 H new ATOM 0 HA3 GLY A 94 -11.363 -12.980 20.533 1.00 15.54 H new ATOM 1410 N ASP A 95 -8.936 -10.895 21.381 1.00 35.45 N ATOM 1411 CA ASP A 95 -8.620 -9.725 22.183 1.00 64.43 C ATOM 1412 C ASP A 95 -8.665 -8.479 21.297 1.00 44.30 C ATOM 1413 O ASP A 95 -8.164 -7.422 21.680 1.00 33.31 O ATOM 1414 CB ASP A 95 -7.215 -9.831 22.780 1.00 41.32 C ATOM 1415 CG ASP A 95 -6.121 -10.241 21.791 1.00 13.05 C ATOM 1416 OD1 ASP A 95 -6.244 -10.024 20.577 1.00 40.22 O ATOM 1417 OD2 ASP A 95 -5.095 -10.814 22.322 1.00 64.53 O ATOM 0 H ASP A 95 -8.180 -11.215 20.776 1.00 35.45 H new ATOM 0 HA ASP A 95 -9.351 -9.660 22.989 1.00 64.43 H new ATOM 0 HB2 ASP A 95 -6.948 -8.868 23.215 1.00 41.32 H new ATOM 0 HB3 ASP A 95 -7.237 -10.554 23.595 1.00 41.32 H new ATOM 1423 N GLY A 96 -9.269 -8.643 20.129 1.00 4.13 N ATOM 1424 CA GLY A 96 -9.385 -7.544 19.186 1.00 54.10 C ATOM 1425 C GLY A 96 -8.033 -7.225 18.545 1.00 10.15 C ATOM 1426 O GLY A 96 -7.872 -6.183 17.912 1.00 14.44 O ATOM 0 H GLY A 96 -9.683 -9.520 19.814 1.00 4.13 H new ATOM 0 HA2 GLY A 96 -10.107 -7.800 18.411 1.00 54.10 H new ATOM 0 HA3 GLY A 96 -9.766 -6.660 19.697 1.00 54.10 H new ATOM 1430 N LYS A 97 -7.095 -8.142 18.732 1.00 1.43 N ATOM 1431 CA LYS A 97 -5.761 -7.971 18.181 1.00 74.13 C ATOM 1432 C LYS A 97 -5.221 -9.331 17.735 1.00 22.21 C ATOM 1433 O LYS A 97 -5.597 -10.364 18.287 1.00 11.02 O ATOM 1434 CB LYS A 97 -4.857 -7.247 19.180 1.00 62.12 C ATOM 1435 CG LYS A 97 -5.511 -5.957 19.677 1.00 54.51 C ATOM 1436 CD LYS A 97 -4.561 -5.174 20.585 1.00 22.24 C ATOM 1437 CE LYS A 97 -3.901 -6.096 21.613 1.00 71.44 C ATOM 1438 NZ LYS A 97 -3.035 -5.319 22.527 1.00 40.35 N ATOM 0 H LYS A 97 -7.232 -9.006 19.257 1.00 1.43 H new ATOM 0 HA LYS A 97 -5.792 -7.334 17.297 1.00 74.13 H new ATOM 0 HB2 LYS A 97 -4.647 -7.901 20.026 1.00 62.12 H new ATOM 0 HB3 LYS A 97 -3.901 -7.016 18.710 1.00 62.12 H new ATOM 0 HG2 LYS A 97 -5.798 -5.339 18.826 1.00 54.51 H new ATOM 0 HG3 LYS A 97 -6.425 -6.195 20.220 1.00 54.51 H new ATOM 0 HD2 LYS A 97 -3.794 -4.688 19.982 1.00 22.24 H new ATOM 0 HD3 LYS A 97 -5.111 -4.385 21.099 1.00 22.24 H new ATOM 0 HE2 LYS A 97 -4.667 -6.619 22.186 1.00 71.44 H new ATOM 0 HE3 LYS A 97 -3.310 -6.856 21.102 1.00 71.44 H new ATOM 0 HZ1 LYS A 97 -2.595 -5.960 23.218 1.00 40.35 H new ATOM 0 HZ2 LYS A 97 -2.293 -4.840 21.978 1.00 40.35 H new ATOM 0 HZ3 LYS A 97 -3.607 -4.610 23.028 1.00 40.35 H new ATOM 1451 N ILE A 98 -4.347 -9.288 16.740 1.00 4.35 N ATOM 1452 CA ILE A 98 -3.750 -10.504 16.214 1.00 14.14 C ATOM 1453 C ILE A 98 -2.226 -10.372 16.241 1.00 33.51 C ATOM 1454 O ILE A 98 -1.659 -9.535 15.541 1.00 55.01 O ATOM 1455 CB ILE A 98 -4.316 -10.822 14.829 1.00 40.02 C ATOM 1456 CG1 ILE A 98 -5.711 -11.442 14.935 1.00 25.50 C ATOM 1457 CG2 ILE A 98 -3.354 -11.707 14.034 1.00 42.02 C ATOM 1458 CD1 ILE A 98 -6.099 -12.143 13.632 1.00 75.52 C ATOM 0 H ILE A 98 -4.038 -8.430 16.284 1.00 4.35 H new ATOM 0 HA ILE A 98 -4.007 -11.357 16.842 1.00 14.14 H new ATOM 0 HB ILE A 98 -4.421 -9.886 14.280 1.00 40.02 H new ATOM 0 HG12 ILE A 98 -5.734 -12.157 15.758 1.00 25.50 H new ATOM 0 HG13 ILE A 98 -6.441 -10.666 15.166 1.00 25.50 H new ATOM 0 HG21 ILE A 98 -3.780 -11.918 13.053 1.00 42.02 H new ATOM 0 HG22 ILE A 98 -2.402 -11.191 13.912 1.00 42.02 H new ATOM 0 HG23 ILE A 98 -3.194 -12.643 14.569 1.00 42.02 H new ATOM 0 HD11 ILE A 98 -7.095 -12.575 13.734 1.00 75.52 H new ATOM 0 HD12 ILE A 98 -6.099 -11.420 12.816 1.00 75.52 H new ATOM 0 HD13 ILE A 98 -5.381 -12.934 13.416 1.00 75.52 H new ATOM 1470 N GLY A 99 -1.606 -11.213 17.057 1.00 51.53 N ATOM 1471 CA GLY A 99 -0.159 -11.201 17.184 1.00 43.21 C ATOM 1472 C GLY A 99 0.499 -11.968 16.035 1.00 41.42 C ATOM 1473 O GLY A 99 -0.189 -12.554 15.201 1.00 72.10 O ATOM 0 H GLY A 99 -2.080 -11.906 17.636 1.00 51.53 H new ATOM 0 HA2 GLY A 99 0.200 -10.172 17.192 1.00 43.21 H new ATOM 0 HA3 GLY A 99 0.130 -11.647 18.136 1.00 43.21 H new ATOM 1477 N ILE A 100 1.824 -11.938 16.028 1.00 74.13 N ATOM 1478 CA ILE A 100 2.582 -12.623 14.995 1.00 71.13 C ATOM 1479 C ILE A 100 2.462 -14.135 15.198 1.00 52.24 C ATOM 1480 O ILE A 100 2.364 -14.889 14.231 1.00 55.33 O ATOM 1481 CB ILE A 100 4.026 -12.119 14.967 1.00 23.12 C ATOM 1482 CG1 ILE A 100 4.603 -12.184 13.551 1.00 32.24 C ATOM 1483 CG2 ILE A 100 4.892 -12.880 15.974 1.00 14.30 C ATOM 1484 CD1 ILE A 100 4.646 -13.627 13.043 1.00 41.42 C ATOM 0 H ILE A 100 2.391 -11.450 16.721 1.00 74.13 H new ATOM 0 HA ILE A 100 2.172 -12.400 14.010 1.00 71.13 H new ATOM 0 HB ILE A 100 4.027 -11.071 15.267 1.00 23.12 H new ATOM 0 HG12 ILE A 100 3.997 -11.576 12.879 1.00 32.24 H new ATOM 0 HG13 ILE A 100 5.608 -11.762 13.544 1.00 32.24 H new ATOM 0 HG21 ILE A 100 5.914 -12.502 15.934 1.00 14.30 H new ATOM 0 HG22 ILE A 100 4.492 -12.738 16.978 1.00 14.30 H new ATOM 0 HG23 ILE A 100 4.888 -13.942 15.728 1.00 14.30 H new ATOM 0 HD11 ILE A 100 5.060 -13.646 12.035 1.00 41.42 H new ATOM 0 HD12 ILE A 100 5.272 -14.227 13.704 1.00 41.42 H new ATOM 0 HD13 ILE A 100 3.636 -14.038 13.028 1.00 41.42 H new ATOM 1496 N ASP A 101 2.474 -14.533 16.461 1.00 13.23 N ATOM 1497 CA ASP A 101 2.367 -15.941 16.803 1.00 3.05 C ATOM 1498 C ASP A 101 0.980 -16.453 16.411 1.00 31.23 C ATOM 1499 O ASP A 101 0.789 -17.653 16.217 1.00 2.21 O ATOM 1500 CB ASP A 101 2.543 -16.157 18.308 1.00 62.02 C ATOM 1501 CG ASP A 101 3.487 -15.169 18.997 1.00 34.20 C ATOM 1502 OD1 ASP A 101 3.048 -14.160 19.569 1.00 70.13 O ATOM 1503 OD2 ASP A 101 4.738 -15.474 18.930 1.00 4.41 O ATOM 0 H ASP A 101 2.556 -13.905 17.261 1.00 13.23 H new ATOM 0 HA ASP A 101 3.150 -16.478 16.267 1.00 3.05 H new ATOM 0 HB2 ASP A 101 1.565 -16.095 18.786 1.00 62.02 H new ATOM 0 HB3 ASP A 101 2.915 -17.168 18.474 1.00 62.02 H new ATOM 1509 N GLU A 102 0.047 -15.518 16.307 1.00 71.45 N ATOM 1510 CA GLU A 102 -1.317 -15.860 15.941 1.00 33.30 C ATOM 1511 C GLU A 102 -1.526 -15.674 14.437 1.00 72.32 C ATOM 1512 O GLU A 102 -2.341 -16.367 13.829 1.00 22.54 O ATOM 1513 CB GLU A 102 -2.323 -15.031 16.741 1.00 15.40 C ATOM 1514 CG GLU A 102 -2.660 -15.709 18.071 1.00 64.14 C ATOM 1515 CD GLU A 102 -3.014 -14.674 19.140 1.00 1.11 C ATOM 1516 OE1 GLU A 102 -3.716 -15.065 20.098 1.00 42.13 O ATOM 1517 OE2 GLU A 102 -2.575 -13.515 18.976 1.00 23.20 O ATOM 0 H GLU A 102 0.209 -14.524 16.470 1.00 71.45 H new ATOM 0 HA GLU A 102 -1.485 -16.909 16.184 1.00 33.30 H new ATOM 0 HB2 GLU A 102 -1.914 -14.038 16.929 1.00 15.40 H new ATOM 0 HB3 GLU A 102 -3.233 -14.895 16.157 1.00 15.40 H new ATOM 0 HG2 GLU A 102 -3.496 -16.394 17.932 1.00 64.14 H new ATOM 0 HG3 GLU A 102 -1.811 -16.306 18.404 1.00 64.14 H new ATOM 1524 N PHE A 103 -0.776 -14.735 13.879 1.00 34.12 N ATOM 1525 CA PHE A 103 -0.869 -14.449 12.458 1.00 73.35 C ATOM 1526 C PHE A 103 -0.074 -15.469 11.640 1.00 20.31 C ATOM 1527 O PHE A 103 -0.391 -15.722 10.479 1.00 45.34 O ATOM 1528 CB PHE A 103 -0.268 -13.059 12.241 1.00 71.34 C ATOM 1529 CG PHE A 103 0.229 -12.812 10.815 1.00 40.02 C ATOM 1530 CD1 PHE A 103 -0.598 -13.033 9.758 1.00 14.23 C ATOM 1531 CD2 PHE A 103 1.498 -12.371 10.604 1.00 63.40 C ATOM 1532 CE1 PHE A 103 -0.137 -12.803 8.435 1.00 31.31 C ATOM 1533 CE2 PHE A 103 1.960 -12.142 9.281 1.00 73.02 C ATOM 1534 CZ PHE A 103 1.132 -12.363 8.224 1.00 2.22 C ATOM 0 H PHE A 103 -0.101 -14.162 14.386 1.00 34.12 H new ATOM 0 HA PHE A 103 -1.909 -14.497 12.136 1.00 73.35 H new ATOM 0 HB2 PHE A 103 -1.018 -12.307 12.489 1.00 71.34 H new ATOM 0 HB3 PHE A 103 0.563 -12.921 12.933 1.00 71.34 H new ATOM 0 HD1 PHE A 103 -1.606 -13.384 9.925 1.00 14.23 H new ATOM 0 HD2 PHE A 103 2.155 -12.195 11.443 1.00 63.40 H new ATOM 0 HE1 PHE A 103 -0.794 -12.978 7.596 1.00 31.31 H new ATOM 0 HE2 PHE A 103 2.968 -11.793 9.114 1.00 73.02 H new ATOM 0 HZ PHE A 103 1.483 -12.189 7.218 1.00 2.22 H new ATOM 1544 N ALA A 104 0.943 -16.028 12.279 1.00 44.00 N ATOM 1545 CA ALA A 104 1.786 -17.015 11.626 1.00 44.34 C ATOM 1546 C ALA A 104 1.154 -18.400 11.777 1.00 2.20 C ATOM 1547 O ALA A 104 1.535 -19.339 11.080 1.00 31.35 O ATOM 1548 CB ALA A 104 3.197 -16.950 12.214 1.00 65.54 C ATOM 0 H ALA A 104 1.202 -15.816 13.242 1.00 44.00 H new ATOM 0 HA ALA A 104 1.867 -16.805 10.560 1.00 44.34 H new ATOM 0 HB1 ALA A 104 3.830 -17.690 11.724 1.00 65.54 H new ATOM 0 HB2 ALA A 104 3.612 -15.955 12.054 1.00 65.54 H new ATOM 0 HB3 ALA A 104 3.156 -17.158 13.283 1.00 65.54 H new ATOM 1554 N ALA A 105 0.199 -18.482 12.692 1.00 62.34 N ATOM 1555 CA ALA A 105 -0.490 -19.737 12.943 1.00 5.24 C ATOM 1556 C ALA A 105 -1.586 -19.931 11.894 1.00 30.11 C ATOM 1557 O ALA A 105 -1.664 -20.982 11.260 1.00 33.22 O ATOM 1558 CB ALA A 105 -1.041 -19.739 14.370 1.00 31.15 C ATOM 0 H ALA A 105 -0.114 -17.701 13.268 1.00 62.34 H new ATOM 0 HA ALA A 105 0.199 -20.577 12.858 1.00 5.24 H new ATOM 0 HB1 ALA A 105 -1.558 -20.680 14.559 1.00 31.15 H new ATOM 0 HB2 ALA A 105 -0.219 -19.628 15.077 1.00 31.15 H new ATOM 0 HB3 ALA A 105 -1.739 -18.911 14.492 1.00 31.15 H new ATOM 1564 N MET A 106 -2.406 -18.901 11.743 1.00 24.04 N ATOM 1565 CA MET A 106 -3.494 -18.945 10.782 1.00 71.21 C ATOM 1566 C MET A 106 -2.977 -19.289 9.384 1.00 50.04 C ATOM 1567 O MET A 106 -3.748 -19.697 8.516 1.00 44.53 O ATOM 1568 CB MET A 106 -4.199 -17.588 10.746 1.00 13.12 C ATOM 1569 CG MET A 106 -3.215 -16.467 10.405 1.00 62.40 C ATOM 1570 SD MET A 106 -3.994 -14.878 10.636 1.00 33.43 S ATOM 1571 CE MET A 106 -5.673 -15.289 10.190 1.00 51.21 C ATOM 0 H MET A 106 -2.338 -18.031 12.271 1.00 24.04 H new ATOM 0 HA MET A 106 -4.195 -19.720 11.091 1.00 71.21 H new ATOM 0 HB2 MET A 106 -5.000 -17.610 10.008 1.00 13.12 H new ATOM 0 HB3 MET A 106 -4.662 -17.389 11.713 1.00 13.12 H new ATOM 0 HG2 MET A 106 -2.331 -16.543 11.038 1.00 62.40 H new ATOM 0 HG3 MET A 106 -2.878 -16.569 9.373 1.00 62.40 H new ATOM 0 HE1 MET A 106 -6.323 -14.439 10.397 1.00 51.21 H new ATOM 0 HE2 MET A 106 -5.719 -15.530 9.128 1.00 51.21 H new ATOM 0 HE3 MET A 106 -6.004 -16.149 10.772 1.00 51.21 H new ATOM 1581 N ILE A 107 -1.676 -19.112 9.209 1.00 43.04 N ATOM 1582 CA ILE A 107 -1.047 -19.398 7.931 1.00 64.35 C ATOM 1583 C ILE A 107 -0.346 -20.756 8.005 1.00 65.20 C ATOM 1584 O ILE A 107 -0.471 -21.574 7.095 1.00 20.30 O ATOM 1585 CB ILE A 107 -0.122 -18.251 7.519 1.00 11.33 C ATOM 1586 CG1 ILE A 107 0.871 -17.920 8.635 1.00 1.12 C ATOM 1587 CG2 ILE A 107 -0.929 -17.024 7.088 1.00 70.30 C ATOM 1588 CD1 ILE A 107 1.895 -16.884 8.168 1.00 4.21 C ATOM 0 H ILE A 107 -1.040 -18.774 9.931 1.00 43.04 H new ATOM 0 HA ILE A 107 -1.799 -19.468 7.145 1.00 64.35 H new ATOM 0 HB ILE A 107 0.459 -18.574 6.656 1.00 11.33 H new ATOM 0 HG12 ILE A 107 0.334 -17.540 9.504 1.00 1.12 H new ATOM 0 HG13 ILE A 107 1.385 -18.828 8.951 1.00 1.12 H new ATOM 0 HG21 ILE A 107 -0.248 -16.223 6.800 1.00 70.30 H new ATOM 0 HG22 ILE A 107 -1.562 -17.284 6.240 1.00 70.30 H new ATOM 0 HG23 ILE A 107 -1.553 -16.689 7.917 1.00 70.30 H new ATOM 0 HD11 ILE A 107 2.589 -16.667 8.980 1.00 4.21 H new ATOM 0 HD12 ILE A 107 2.447 -17.277 7.314 1.00 4.21 H new ATOM 0 HD13 ILE A 107 1.380 -15.969 7.876 1.00 4.21 H new ATOM 1600 N LYS A 108 0.377 -20.954 9.098 1.00 63.04 N ATOM 1601 CA LYS A 108 1.098 -22.199 9.303 1.00 44.33 C ATOM 1602 C LYS A 108 0.121 -23.372 9.204 1.00 50.41 C ATOM 1603 O LYS A 108 0.500 -24.467 8.793 1.00 21.43 O ATOM 1604 CB LYS A 108 1.877 -22.156 10.619 1.00 20.21 C ATOM 1605 CG LYS A 108 2.747 -23.404 10.782 1.00 45.11 C ATOM 1606 CD LYS A 108 4.175 -23.028 11.185 1.00 13.01 C ATOM 1607 CE LYS A 108 5.071 -22.879 9.954 1.00 21.42 C ATOM 1608 NZ LYS A 108 5.015 -24.102 9.122 1.00 50.34 N ATOM 0 H LYS A 108 0.479 -20.273 9.851 1.00 63.04 H new ATOM 0 HA LYS A 108 1.845 -22.340 8.522 1.00 44.33 H new ATOM 0 HB2 LYS A 108 2.504 -21.265 10.645 1.00 20.21 H new ATOM 0 HB3 LYS A 108 1.182 -22.081 11.455 1.00 20.21 H new ATOM 0 HG2 LYS A 108 2.312 -24.059 11.538 1.00 45.11 H new ATOM 0 HG3 LYS A 108 2.765 -23.964 9.847 1.00 45.11 H new ATOM 0 HD2 LYS A 108 4.164 -22.094 11.746 1.00 13.01 H new ATOM 0 HD3 LYS A 108 4.583 -23.792 11.846 1.00 13.01 H new ATOM 0 HE2 LYS A 108 4.752 -22.018 9.367 1.00 21.42 H new ATOM 0 HE3 LYS A 108 6.098 -22.690 10.265 1.00 21.42 H new ATOM 0 HZ1 LYS A 108 5.927 -24.236 8.640 1.00 50.34 H new ATOM 0 HZ2 LYS A 108 4.819 -24.925 9.727 1.00 50.34 H new ATOM 0 HZ3 LYS A 108 4.260 -24.005 8.413 1.00 50.34 H new ATOM 1621 N GLY A 109 -1.118 -23.102 9.587 1.00 12.34 N ATOM 1622 CA GLY A 109 -2.153 -24.121 9.547 1.00 21.02 C ATOM 1623 C GLY A 109 -3.348 -23.724 10.417 1.00 63.04 C ATOM 1624 O GLY A 109 -4.086 -22.800 10.079 1.00 42.02 O ATOM 0 H GLY A 109 -1.429 -22.192 9.927 1.00 12.34 H new ATOM 0 HA2 GLY A 109 -2.481 -24.271 8.518 1.00 21.02 H new ATOM 0 HA3 GLY A 109 -1.746 -25.071 9.893 1.00 21.02 H new TER 1628 GLY A 109 HETATM 1629 CA CA A 201 -0.526 -1.587 15.201 1.00 63.50 CA HETATM 1630 CA CA A 202 -5.033 -12.542 20.032 1.00 43.12 CA