USER MOD reduce.3.24.130724 H: found=0, std=0, add=493, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 491 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 44 ASN : amide:sc= 1.83 K(o=2.2,f=-1.3) USER MOD Set 1.2: A 48 GLN : amide:sc= 0.358 K(o=2.2,f=0.32) USER MOD Set 2.1: A 43 LYS NZ :NH3+ -130:sc= 0.353 (180deg=0) USER MOD Set 2.2: A 47 GLN : amide:sc= 1.1 K(o=1.4,f=-0.17) USER MOD Set 3.1: A 40 THR OG1 : rot 76:sc= 1.98 USER MOD Set 3.2: A 53 LYS NZ :NH3+ -177:sc= 0.734 (180deg=-0.0668) USER MOD Set 4.1: A 36 SER OG : rot -47:sc= 2.06 USER MOD Set 4.2: A 37 LYS NZ :NH3+ -152:sc= 0.923 (180deg=-0.128) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -165:sc= -0.0273 (180deg=-0.478) USER MOD Single : A 3 SER OG : rot 180:sc= 0.072 USER MOD Single : A 9 GLN : amide:sc= 0.781 K(o=0.78,f=-0.058) USER MOD Single : A 10 LYS NZ :NH3+ -170:sc=-0.00676 (180deg=-0.131) USER MOD Single : A 16 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0297) USER MOD Single : A 21 LYS NZ :NH3+ -134:sc= -0.0159 (180deg=-0.854) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 23 THR OG1 : rot -83:sc= 1.29 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 THR OG1 : rot 85:sc= 2.49 USER MOD Single : A 32 THR OG1 : rot 84:sc= 1.1 USER MOD Single : A 33 SER OG : rot 83:sc= 1.19 USER MOD Single : A 35 LYS NZ :NH3+ -175:sc=-0.00134 (180deg=-0.0548) USER MOD Single : A 45 LYS NZ :NH3+ -119:sc= 0.37 (180deg=-0.101) USER MOD Single : A 46 MET CE :methyl 167:sc= -0.103 (180deg=-0.704) USER MOD Single : A 49 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0263) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 51 GLN : amide:sc= -0.0481 K(o=-0.048,f=-0.91) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -18.085 10.177 10.774 1.00 0.00 N ATOM 2 CA MET A 1 -17.424 10.470 9.512 1.00 0.00 C ATOM 3 C MET A 1 -16.444 9.349 9.164 1.00 0.00 C ATOM 4 O MET A 1 -16.371 8.914 8.015 1.00 0.00 O ATOM 5 CB MET A 1 -16.700 11.822 9.598 1.00 0.00 C ATOM 6 CG MET A 1 -17.615 12.962 10.073 1.00 0.00 C ATOM 7 SD MET A 1 -19.158 13.222 9.158 1.00 0.00 S ATOM 8 CE MET A 1 -18.518 13.718 7.544 1.00 0.00 C ATOM 0 H1 MET A 1 -18.916 10.793 10.882 1.00 0.00 H new ATOM 0 H2 MET A 1 -18.387 9.182 10.785 1.00 0.00 H new ATOM 0 H3 MET A 1 -17.425 10.347 11.559 1.00 0.00 H new ATOM 0 HA MET A 1 -18.171 10.532 8.721 1.00 0.00 H new ATOM 0 HB2 MET A 1 -15.855 11.733 10.281 1.00 0.00 H new ATOM 0 HB3 MET A 1 -16.293 12.074 8.618 1.00 0.00 H new ATOM 0 HG2 MET A 1 -17.868 12.779 11.117 1.00 0.00 H new ATOM 0 HG3 MET A 1 -17.043 13.889 10.042 1.00 0.00 H new ATOM 0 HE1 MET A 1 -19.350 13.914 6.867 1.00 0.00 H new ATOM 0 HE2 MET A 1 -17.918 14.622 7.652 1.00 0.00 H new ATOM 0 HE3 MET A 1 -17.899 12.918 7.137 1.00 0.00 H new ATOM 18 N ALA A 2 -15.708 8.874 10.175 1.00 0.00 N ATOM 19 CA ALA A 2 -14.688 7.838 10.051 1.00 0.00 C ATOM 20 C ALA A 2 -15.169 6.684 9.172 1.00 0.00 C ATOM 21 O ALA A 2 -14.521 6.343 8.187 1.00 0.00 O ATOM 22 CB ALA A 2 -14.281 7.343 11.442 1.00 0.00 C ATOM 0 H ALA A 2 -15.813 9.214 11.131 1.00 0.00 H new ATOM 0 HA ALA A 2 -13.814 8.268 9.562 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -13.519 6.570 11.344 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -13.881 8.175 12.022 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -15.153 6.932 11.951 1.00 0.00 H new ATOM 28 N SER A 3 -16.333 6.117 9.492 1.00 0.00 N ATOM 29 CA SER A 3 -16.941 5.038 8.732 1.00 0.00 C ATOM 30 C SER A 3 -17.064 5.377 7.241 1.00 0.00 C ATOM 31 O SER A 3 -16.832 4.525 6.386 1.00 0.00 O ATOM 32 CB SER A 3 -18.311 4.744 9.348 1.00 0.00 C ATOM 33 OG SER A 3 -18.200 4.791 10.760 1.00 0.00 O ATOM 0 H SER A 3 -16.884 6.404 10.301 1.00 0.00 H new ATOM 0 HA SER A 3 -16.304 4.155 8.785 1.00 0.00 H new ATOM 0 HB2 SER A 3 -19.044 5.474 9.003 1.00 0.00 H new ATOM 0 HB3 SER A 3 -18.664 3.763 9.030 1.00 0.00 H new ATOM 0 HG SER A 3 -19.074 4.605 11.163 1.00 0.00 H new ATOM 39 N VAL A 4 -17.434 6.619 6.920 1.00 0.00 N ATOM 40 CA VAL A 4 -17.610 7.048 5.542 1.00 0.00 C ATOM 41 C VAL A 4 -16.239 7.211 4.881 1.00 0.00 C ATOM 42 O VAL A 4 -16.055 6.797 3.740 1.00 0.00 O ATOM 43 CB VAL A 4 -18.448 8.334 5.465 1.00 0.00 C ATOM 44 CG1 VAL A 4 -18.828 8.627 4.009 1.00 0.00 C ATOM 45 CG2 VAL A 4 -19.734 8.223 6.297 1.00 0.00 C ATOM 0 H VAL A 4 -17.618 7.348 7.609 1.00 0.00 H new ATOM 0 HA VAL A 4 -18.164 6.286 4.994 1.00 0.00 H new ATOM 0 HB VAL A 4 -17.839 9.143 5.868 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -19.422 9.540 3.965 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -17.923 8.753 3.415 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -19.410 7.796 3.611 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -20.300 9.151 6.218 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -20.339 7.396 5.924 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -19.478 8.042 7.341 1.00 0.00 H new ATOM 55 N LEU A 5 -15.262 7.781 5.591 1.00 0.00 N ATOM 56 CA LEU A 5 -13.892 7.844 5.085 1.00 0.00 C ATOM 57 C LEU A 5 -13.384 6.432 4.763 1.00 0.00 C ATOM 58 O LEU A 5 -12.861 6.188 3.678 1.00 0.00 O ATOM 59 CB LEU A 5 -12.967 8.563 6.079 1.00 0.00 C ATOM 60 CG LEU A 5 -13.389 10.009 6.400 1.00 0.00 C ATOM 61 CD1 LEU A 5 -12.421 10.596 7.432 1.00 0.00 C ATOM 62 CD2 LEU A 5 -13.404 10.904 5.155 1.00 0.00 C ATOM 0 H LEU A 5 -15.394 8.202 6.511 1.00 0.00 H new ATOM 0 HA LEU A 5 -13.887 8.426 4.164 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -12.934 7.991 7.007 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -11.955 8.573 5.675 1.00 0.00 H new ATOM 0 HG LEU A 5 -14.405 9.977 6.793 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -12.714 11.620 7.664 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -12.450 9.995 8.341 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -11.409 10.591 7.026 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -13.708 11.912 5.436 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -12.406 10.934 4.717 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -14.108 10.502 4.427 1.00 0.00 H new ATOM 74 N GLU A 6 -13.575 5.490 5.692 1.00 0.00 N ATOM 75 CA GLU A 6 -13.246 4.086 5.492 1.00 0.00 C ATOM 76 C GLU A 6 -13.970 3.535 4.258 1.00 0.00 C ATOM 77 O GLU A 6 -13.348 2.894 3.416 1.00 0.00 O ATOM 78 CB GLU A 6 -13.584 3.283 6.755 1.00 0.00 C ATOM 79 CG GLU A 6 -12.658 3.645 7.924 1.00 0.00 C ATOM 80 CD GLU A 6 -13.152 3.031 9.231 1.00 0.00 C ATOM 81 OE1 GLU A 6 -12.907 1.819 9.413 1.00 0.00 O ATOM 82 OE2 GLU A 6 -13.778 3.779 10.014 1.00 0.00 O ATOM 0 H GLU A 6 -13.967 5.689 6.612 1.00 0.00 H new ATOM 0 HA GLU A 6 -12.175 3.991 5.311 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -14.619 3.471 7.039 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -13.501 2.217 6.542 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -11.648 3.294 7.713 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -12.604 4.729 8.026 1.00 0.00 H new ATOM 89 N GLU A 7 -15.276 3.785 4.135 1.00 0.00 N ATOM 90 CA GLU A 7 -16.060 3.365 2.978 1.00 0.00 C ATOM 91 C GLU A 7 -15.425 3.879 1.677 1.00 0.00 C ATOM 92 O GLU A 7 -15.166 3.106 0.755 1.00 0.00 O ATOM 93 CB GLU A 7 -17.510 3.847 3.149 1.00 0.00 C ATOM 94 CG GLU A 7 -18.460 3.355 2.051 1.00 0.00 C ATOM 95 CD GLU A 7 -18.598 1.836 2.049 1.00 0.00 C ATOM 96 OE1 GLU A 7 -19.210 1.323 3.011 1.00 0.00 O ATOM 97 OE2 GLU A 7 -18.081 1.216 1.095 1.00 0.00 O ATOM 0 H GLU A 7 -15.818 4.286 4.839 1.00 0.00 H new ATOM 0 HA GLU A 7 -16.069 2.277 2.912 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -17.883 3.511 4.116 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -17.521 4.937 3.164 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -19.442 3.807 2.192 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -18.093 3.686 1.080 1.00 0.00 H new ATOM 104 N LEU A 8 -15.157 5.184 1.602 1.00 0.00 N ATOM 105 CA LEU A 8 -14.515 5.791 0.443 1.00 0.00 C ATOM 106 C LEU A 8 -13.166 5.119 0.170 1.00 0.00 C ATOM 107 O LEU A 8 -12.877 4.756 -0.968 1.00 0.00 O ATOM 108 CB LEU A 8 -14.368 7.309 0.646 1.00 0.00 C ATOM 109 CG LEU A 8 -15.719 8.048 0.659 1.00 0.00 C ATOM 110 CD1 LEU A 8 -15.535 9.450 1.245 1.00 0.00 C ATOM 111 CD2 LEU A 8 -16.308 8.180 -0.751 1.00 0.00 C ATOM 0 H LEU A 8 -15.380 5.846 2.345 1.00 0.00 H new ATOM 0 HA LEU A 8 -15.143 5.637 -0.435 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -13.849 7.496 1.586 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -13.744 7.718 -0.149 1.00 0.00 H new ATOM 0 HG LEU A 8 -16.407 7.463 1.270 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -16.493 9.970 1.253 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -15.157 9.372 2.264 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -14.824 10.008 0.636 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -17.261 8.707 -0.699 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -15.618 8.739 -1.383 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -16.465 7.188 -1.174 1.00 0.00 H new ATOM 123 N GLN A 9 -12.346 4.923 1.206 1.00 0.00 N ATOM 124 CA GLN A 9 -11.067 4.239 1.079 1.00 0.00 C ATOM 125 C GLN A 9 -11.248 2.822 0.521 1.00 0.00 C ATOM 126 O GLN A 9 -10.463 2.390 -0.326 1.00 0.00 O ATOM 127 CB GLN A 9 -10.338 4.238 2.433 1.00 0.00 C ATOM 128 CG GLN A 9 -8.983 3.514 2.415 1.00 0.00 C ATOM 129 CD GLN A 9 -7.987 4.139 1.445 1.00 0.00 C ATOM 130 OE1 GLN A 9 -7.163 4.958 1.833 1.00 0.00 O ATOM 131 NE2 GLN A 9 -8.049 3.757 0.173 1.00 0.00 N ATOM 0 H GLN A 9 -12.555 5.236 2.154 1.00 0.00 H new ATOM 0 HA GLN A 9 -10.447 4.778 0.363 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -10.183 5.269 2.751 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -10.979 3.768 3.179 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -8.559 3.523 3.419 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -9.139 2.470 2.145 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -8.746 3.073 -0.121 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -7.399 4.148 -0.509 1.00 0.00 H new ATOM 140 N LYS A 10 -12.257 2.087 0.993 1.00 0.00 N ATOM 141 CA LYS A 10 -12.549 0.749 0.501 1.00 0.00 C ATOM 142 C LYS A 10 -12.936 0.815 -0.976 1.00 0.00 C ATOM 143 O LYS A 10 -12.421 0.040 -1.778 1.00 0.00 O ATOM 144 CB LYS A 10 -13.632 0.082 1.362 1.00 0.00 C ATOM 145 CG LYS A 10 -14.051 -1.313 0.868 1.00 0.00 C ATOM 146 CD LYS A 10 -12.873 -2.299 0.794 1.00 0.00 C ATOM 147 CE LYS A 10 -13.315 -3.692 0.336 1.00 0.00 C ATOM 148 NZ LYS A 10 -14.240 -4.326 1.291 1.00 0.00 N ATOM 0 H LYS A 10 -12.891 2.406 1.726 1.00 0.00 H new ATOM 0 HA LYS A 10 -11.657 0.127 0.581 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -13.268 -0.000 2.386 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -14.511 0.727 1.387 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -14.814 -1.715 1.535 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -14.505 -1.222 -0.119 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -12.121 -1.913 0.106 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -12.401 -2.373 1.774 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -13.798 -3.616 -0.638 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -12.437 -4.326 0.208 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -14.379 -5.323 1.030 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -13.841 -4.271 2.250 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -15.155 -3.832 1.268 1.00 0.00 H new ATOM 162 N ASP A 11 -13.825 1.738 -1.353 1.00 0.00 N ATOM 163 CA ASP A 11 -14.193 1.923 -2.752 1.00 0.00 C ATOM 164 C ASP A 11 -12.947 2.196 -3.602 1.00 0.00 C ATOM 165 O ASP A 11 -12.735 1.545 -4.624 1.00 0.00 O ATOM 166 CB ASP A 11 -15.221 3.049 -2.897 1.00 0.00 C ATOM 167 CG ASP A 11 -15.622 3.218 -4.358 1.00 0.00 C ATOM 168 OD1 ASP A 11 -16.415 2.377 -4.831 1.00 0.00 O ATOM 169 OD2 ASP A 11 -15.112 4.175 -4.976 1.00 0.00 O ATOM 0 H ASP A 11 -14.301 2.367 -0.706 1.00 0.00 H new ATOM 0 HA ASP A 11 -14.653 1.004 -3.114 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -16.102 2.826 -2.295 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -14.804 3.982 -2.518 1.00 0.00 H new ATOM 174 N LEU A 12 -12.112 3.138 -3.152 1.00 0.00 N ATOM 175 CA LEU A 12 -10.833 3.475 -3.767 1.00 0.00 C ATOM 176 C LEU A 12 -10.001 2.202 -3.966 1.00 0.00 C ATOM 177 O LEU A 12 -9.550 1.915 -5.073 1.00 0.00 O ATOM 178 CB LEU A 12 -10.125 4.539 -2.912 1.00 0.00 C ATOM 179 CG LEU A 12 -8.953 5.265 -3.595 1.00 0.00 C ATOM 180 CD1 LEU A 12 -8.626 6.525 -2.784 1.00 0.00 C ATOM 181 CD2 LEU A 12 -7.687 4.403 -3.684 1.00 0.00 C ATOM 0 H LEU A 12 -12.317 3.701 -2.326 1.00 0.00 H new ATOM 0 HA LEU A 12 -10.980 3.906 -4.757 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -10.861 5.282 -2.605 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -9.755 4.063 -2.004 1.00 0.00 H new ATOM 0 HG LEU A 12 -9.261 5.501 -4.614 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -7.796 7.054 -3.253 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -9.500 7.175 -2.753 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -8.348 6.242 -1.769 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -6.895 4.969 -4.175 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -7.365 4.125 -2.681 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -7.900 3.502 -4.260 1.00 0.00 H new ATOM 193 N GLU A 13 -9.819 1.418 -2.901 1.00 0.00 N ATOM 194 CA GLU A 13 -9.099 0.152 -2.958 1.00 0.00 C ATOM 195 C GLU A 13 -9.707 -0.772 -4.020 1.00 0.00 C ATOM 196 O GLU A 13 -8.987 -1.315 -4.854 1.00 0.00 O ATOM 197 CB GLU A 13 -9.100 -0.495 -1.567 1.00 0.00 C ATOM 198 CG GLU A 13 -8.243 -1.765 -1.515 1.00 0.00 C ATOM 199 CD GLU A 13 -8.279 -2.385 -0.123 1.00 0.00 C ATOM 200 OE1 GLU A 13 -9.380 -2.832 0.268 1.00 0.00 O ATOM 201 OE2 GLU A 13 -7.214 -2.385 0.531 1.00 0.00 O ATOM 0 H GLU A 13 -10.170 1.648 -1.972 1.00 0.00 H new ATOM 0 HA GLU A 13 -8.065 0.333 -3.252 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -8.728 0.222 -0.835 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -10.124 -0.738 -1.283 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -8.607 -2.485 -2.248 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -7.214 -1.526 -1.785 1.00 0.00 H new ATOM 208 N GLU A 14 -11.029 -0.955 -3.996 1.00 0.00 N ATOM 209 CA GLU A 14 -11.727 -1.817 -4.937 1.00 0.00 C ATOM 210 C GLU A 14 -11.411 -1.384 -6.372 1.00 0.00 C ATOM 211 O GLU A 14 -10.972 -2.194 -7.193 1.00 0.00 O ATOM 212 CB GLU A 14 -13.235 -1.802 -4.624 1.00 0.00 C ATOM 213 CG GLU A 14 -13.985 -3.020 -5.184 1.00 0.00 C ATOM 214 CD GLU A 14 -14.028 -3.074 -6.709 1.00 0.00 C ATOM 215 OE1 GLU A 14 -14.278 -2.008 -7.313 1.00 0.00 O ATOM 216 OE2 GLU A 14 -13.820 -4.186 -7.242 1.00 0.00 O ATOM 0 H GLU A 14 -11.643 -0.505 -3.318 1.00 0.00 H new ATOM 0 HA GLU A 14 -11.386 -2.847 -4.836 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -13.374 -1.764 -3.544 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -13.675 -0.893 -5.034 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -13.512 -3.928 -4.812 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -15.006 -3.013 -4.802 1.00 0.00 H new ATOM 223 N VAL A 15 -11.613 -0.101 -6.683 1.00 0.00 N ATOM 224 CA VAL A 15 -11.353 0.367 -8.036 1.00 0.00 C ATOM 225 C VAL A 15 -9.866 0.248 -8.379 1.00 0.00 C ATOM 226 O VAL A 15 -9.540 -0.097 -9.510 1.00 0.00 O ATOM 227 CB VAL A 15 -11.966 1.749 -8.311 1.00 0.00 C ATOM 228 CG1 VAL A 15 -11.301 2.887 -7.537 1.00 0.00 C ATOM 229 CG2 VAL A 15 -11.900 2.054 -9.809 1.00 0.00 C ATOM 0 H VAL A 15 -11.946 0.611 -6.033 1.00 0.00 H new ATOM 0 HA VAL A 15 -11.873 -0.293 -8.731 1.00 0.00 H new ATOM 0 HB VAL A 15 -12.998 1.697 -7.965 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -11.789 3.830 -7.785 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -11.392 2.701 -6.467 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -10.246 2.943 -7.807 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -12.336 3.035 -10.000 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -10.860 2.049 -10.136 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -12.457 1.296 -10.360 1.00 0.00 H new ATOM 239 N LYS A 16 -8.956 0.480 -7.428 1.00 0.00 N ATOM 240 CA LYS A 16 -7.533 0.242 -7.642 1.00 0.00 C ATOM 241 C LYS A 16 -7.297 -1.220 -8.043 1.00 0.00 C ATOM 242 O LYS A 16 -6.613 -1.494 -9.026 1.00 0.00 O ATOM 243 CB LYS A 16 -6.741 0.635 -6.386 1.00 0.00 C ATOM 244 CG LYS A 16 -5.228 0.658 -6.641 1.00 0.00 C ATOM 245 CD LYS A 16 -4.434 0.781 -5.331 1.00 0.00 C ATOM 246 CE LYS A 16 -4.794 2.017 -4.497 1.00 0.00 C ATOM 247 NZ LYS A 16 -4.645 3.264 -5.267 1.00 0.00 N ATOM 0 H LYS A 16 -9.185 0.834 -6.499 1.00 0.00 H new ATOM 0 HA LYS A 16 -7.176 0.865 -8.462 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -7.066 1.618 -6.046 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -6.962 -0.069 -5.584 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -4.933 -0.253 -7.162 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -4.982 1.494 -7.296 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -4.604 -0.112 -4.730 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -3.370 0.810 -5.565 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -5.821 1.929 -4.144 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -4.156 2.057 -3.614 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -4.799 4.080 -4.640 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -3.687 3.312 -5.668 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -5.344 3.282 -6.037 1.00 0.00 H new ATOM 261 N VAL A 17 -7.883 -2.166 -7.306 1.00 0.00 N ATOM 262 CA VAL A 17 -7.795 -3.581 -7.637 1.00 0.00 C ATOM 263 C VAL A 17 -8.299 -3.823 -9.067 1.00 0.00 C ATOM 264 O VAL A 17 -7.627 -4.508 -9.839 1.00 0.00 O ATOM 265 CB VAL A 17 -8.507 -4.427 -6.564 1.00 0.00 C ATOM 266 CG1 VAL A 17 -8.688 -5.883 -7.006 1.00 0.00 C ATOM 267 CG2 VAL A 17 -7.693 -4.414 -5.263 1.00 0.00 C ATOM 0 H VAL A 17 -8.429 -1.969 -6.467 1.00 0.00 H new ATOM 0 HA VAL A 17 -6.754 -3.905 -7.628 1.00 0.00 H new ATOM 0 HB VAL A 17 -9.491 -3.985 -6.410 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -9.194 -6.442 -6.219 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -9.287 -5.915 -7.916 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -7.712 -6.329 -7.198 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -8.202 -5.014 -4.509 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -6.703 -4.830 -5.449 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -7.595 -3.389 -4.905 1.00 0.00 H new ATOM 277 N LEU A 18 -9.446 -3.248 -9.452 1.00 0.00 N ATOM 278 CA LEU A 18 -9.902 -3.340 -10.839 1.00 0.00 C ATOM 279 C LEU A 18 -8.870 -2.771 -11.815 1.00 0.00 C ATOM 280 O LEU A 18 -8.545 -3.430 -12.800 1.00 0.00 O ATOM 281 CB LEU A 18 -11.253 -2.644 -11.051 1.00 0.00 C ATOM 282 CG LEU A 18 -12.437 -3.361 -10.388 1.00 0.00 C ATOM 283 CD1 LEU A 18 -13.692 -2.521 -10.636 1.00 0.00 C ATOM 284 CD2 LEU A 18 -12.663 -4.761 -10.974 1.00 0.00 C ATOM 0 H LEU A 18 -10.064 -2.724 -8.832 1.00 0.00 H new ATOM 0 HA LEU A 18 -10.028 -4.403 -11.045 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -11.192 -1.628 -10.660 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -11.444 -2.563 -12.121 1.00 0.00 H new ATOM 0 HG LEU A 18 -12.224 -3.474 -9.325 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -14.552 -3.007 -10.175 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -13.559 -1.530 -10.201 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -13.860 -2.426 -11.709 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -13.510 -5.232 -10.475 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -12.869 -4.680 -12.041 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -11.770 -5.367 -10.822 1.00 0.00 H new ATOM 296 N LEU A 19 -8.368 -1.561 -11.553 1.00 0.00 N ATOM 297 CA LEU A 19 -7.336 -0.886 -12.333 1.00 0.00 C ATOM 298 C LEU A 19 -6.177 -1.856 -12.587 1.00 0.00 C ATOM 299 O LEU A 19 -5.769 -2.066 -13.726 1.00 0.00 O ATOM 300 CB LEU A 19 -6.875 0.372 -11.566 1.00 0.00 C ATOM 301 CG LEU A 19 -6.259 1.470 -12.442 1.00 0.00 C ATOM 302 CD1 LEU A 19 -7.353 2.256 -13.175 1.00 0.00 C ATOM 303 CD2 LEU A 19 -5.466 2.447 -11.565 1.00 0.00 C ATOM 0 H LEU A 19 -8.685 -1.005 -10.759 1.00 0.00 H new ATOM 0 HA LEU A 19 -7.725 -0.572 -13.302 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -7.730 0.789 -11.033 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -6.144 0.074 -10.814 1.00 0.00 H new ATOM 0 HG LEU A 19 -5.603 0.994 -13.171 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -6.895 3.030 -13.791 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -7.925 1.579 -13.810 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -8.019 2.719 -12.446 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -5.030 3.226 -12.191 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -6.133 2.901 -10.832 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -4.671 1.909 -11.048 1.00 0.00 H new ATOM 315 N GLU A 20 -5.661 -2.468 -11.519 1.00 0.00 N ATOM 316 CA GLU A 20 -4.576 -3.432 -11.607 1.00 0.00 C ATOM 317 C GLU A 20 -4.984 -4.640 -12.458 1.00 0.00 C ATOM 318 O GLU A 20 -4.338 -4.935 -13.462 1.00 0.00 O ATOM 319 CB GLU A 20 -4.148 -3.861 -10.197 1.00 0.00 C ATOM 320 CG GLU A 20 -3.487 -2.709 -9.428 1.00 0.00 C ATOM 321 CD GLU A 20 -3.215 -3.101 -7.979 1.00 0.00 C ATOM 322 OE1 GLU A 20 -2.154 -3.719 -7.749 1.00 0.00 O ATOM 323 OE2 GLU A 20 -4.080 -2.788 -7.131 1.00 0.00 O ATOM 0 H GLU A 20 -5.989 -2.304 -10.567 1.00 0.00 H new ATOM 0 HA GLU A 20 -3.724 -2.962 -12.099 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -5.018 -4.215 -9.645 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -3.453 -4.698 -10.267 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -2.552 -2.432 -9.915 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -4.133 -1.831 -9.456 1.00 0.00 H new ATOM 330 N LYS A 21 -6.025 -5.367 -12.041 1.00 0.00 N ATOM 331 CA LYS A 21 -6.381 -6.641 -12.656 1.00 0.00 C ATOM 332 C LYS A 21 -6.823 -6.457 -14.107 1.00 0.00 C ATOM 333 O LYS A 21 -6.301 -7.090 -15.021 1.00 0.00 O ATOM 334 CB LYS A 21 -7.502 -7.325 -11.862 1.00 0.00 C ATOM 335 CG LYS A 21 -7.058 -7.758 -10.460 1.00 0.00 C ATOM 336 CD LYS A 21 -8.227 -8.289 -9.617 1.00 0.00 C ATOM 337 CE LYS A 21 -8.873 -9.571 -10.167 1.00 0.00 C ATOM 338 NZ LYS A 21 -9.949 -9.289 -11.134 1.00 0.00 N ATOM 0 H LYS A 21 -6.637 -5.089 -11.274 1.00 0.00 H new ATOM 0 HA LYS A 21 -5.491 -7.270 -12.644 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -8.348 -6.643 -11.776 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -7.851 -8.198 -12.413 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -6.294 -8.531 -10.546 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -6.599 -6.912 -9.949 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -7.872 -8.481 -8.605 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -8.990 -7.514 -9.546 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -8.109 -10.183 -10.646 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -9.276 -10.155 -9.340 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -10.776 -9.880 -10.915 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -10.215 -8.285 -11.075 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -9.616 -9.503 -12.096 1.00 0.00 H new ATOM 352 N SER A 22 -7.835 -5.620 -14.316 1.00 0.00 N ATOM 353 CA SER A 22 -8.503 -5.476 -15.596 1.00 0.00 C ATOM 354 C SER A 22 -7.770 -4.425 -16.426 1.00 0.00 C ATOM 355 O SER A 22 -8.356 -3.410 -16.803 1.00 0.00 O ATOM 356 CB SER A 22 -9.966 -5.097 -15.346 1.00 0.00 C ATOM 357 OG SER A 22 -10.561 -5.979 -14.413 1.00 0.00 O ATOM 0 H SER A 22 -8.216 -5.016 -13.588 1.00 0.00 H new ATOM 0 HA SER A 22 -8.487 -6.411 -16.157 1.00 0.00 H new ATOM 0 HB2 SER A 22 -10.023 -4.074 -14.974 1.00 0.00 H new ATOM 0 HB3 SER A 22 -10.519 -5.126 -16.285 1.00 0.00 H new ATOM 0 HG SER A 22 -11.494 -5.719 -14.266 1.00 0.00 H new ATOM 363 N THR A 23 -6.492 -4.672 -16.725 1.00 0.00 N ATOM 364 CA THR A 23 -5.561 -3.714 -17.314 1.00 0.00 C ATOM 365 C THR A 23 -5.799 -3.456 -18.814 1.00 0.00 C ATOM 366 O THR A 23 -4.855 -3.337 -19.591 1.00 0.00 O ATOM 367 CB THR A 23 -4.122 -4.204 -17.012 1.00 0.00 C ATOM 368 OG1 THR A 23 -4.131 -5.357 -16.189 1.00 0.00 O ATOM 369 CG2 THR A 23 -3.278 -3.127 -16.326 1.00 0.00 C ATOM 0 H THR A 23 -6.063 -5.582 -16.555 1.00 0.00 H new ATOM 0 HA THR A 23 -5.726 -2.738 -16.859 1.00 0.00 H new ATOM 0 HB THR A 23 -3.678 -4.442 -17.978 1.00 0.00 H new ATOM 0 HG1 THR A 23 -4.222 -5.089 -15.251 1.00 0.00 H new ATOM 0 HG21 THR A 23 -2.278 -3.516 -16.134 1.00 0.00 H new ATOM 0 HG22 THR A 23 -3.209 -2.252 -16.972 1.00 0.00 H new ATOM 0 HG23 THR A 23 -3.745 -2.845 -15.382 1.00 0.00 H new ATOM 377 N ARG A 24 -7.063 -3.355 -19.235 1.00 0.00 N ATOM 378 CA ARG A 24 -7.441 -3.066 -20.610 1.00 0.00 C ATOM 379 C ARG A 24 -7.564 -1.549 -20.803 1.00 0.00 C ATOM 380 O ARG A 24 -7.247 -0.766 -19.908 1.00 0.00 O ATOM 381 CB ARG A 24 -8.752 -3.800 -20.946 1.00 0.00 C ATOM 382 CG ARG A 24 -8.772 -5.276 -20.515 1.00 0.00 C ATOM 383 CD ARG A 24 -7.620 -6.087 -21.122 1.00 0.00 C ATOM 384 NE ARG A 24 -7.724 -7.509 -20.767 1.00 0.00 N ATOM 385 CZ ARG A 24 -8.515 -8.408 -21.374 1.00 0.00 C ATOM 386 NH1 ARG A 24 -9.335 -8.034 -22.364 1.00 0.00 N ATOM 387 NH2 ARG A 24 -8.480 -9.685 -20.982 1.00 0.00 N ATOM 0 H ARG A 24 -7.863 -3.475 -18.613 1.00 0.00 H new ATOM 0 HA ARG A 24 -6.674 -3.424 -21.296 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -9.581 -3.281 -20.465 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -8.922 -3.744 -22.021 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -8.718 -5.333 -19.428 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -9.721 -5.724 -20.811 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -7.628 -5.979 -22.207 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -6.668 -5.691 -20.769 1.00 0.00 H new ATOM 0 HE ARG A 24 -7.147 -7.841 -19.994 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -9.362 -7.059 -22.663 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -9.932 -8.724 -22.819 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -7.856 -9.970 -20.227 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -9.078 -10.375 -21.437 1.00 0.00 H new ATOM 401 N LYS A 25 -8.097 -1.125 -21.955 1.00 0.00 N ATOM 402 CA LYS A 25 -8.356 0.280 -22.264 1.00 0.00 C ATOM 403 C LYS A 25 -9.093 0.988 -21.123 1.00 0.00 C ATOM 404 O LYS A 25 -8.895 2.184 -20.914 1.00 0.00 O ATOM 405 CB LYS A 25 -9.183 0.380 -23.552 1.00 0.00 C ATOM 406 CG LYS A 25 -9.194 1.804 -24.122 1.00 0.00 C ATOM 407 CD LYS A 25 -10.031 1.857 -25.405 1.00 0.00 C ATOM 408 CE LYS A 25 -10.077 3.289 -25.950 1.00 0.00 C ATOM 409 NZ LYS A 25 -10.894 3.371 -27.173 1.00 0.00 N ATOM 0 H LYS A 25 -8.363 -1.760 -22.707 1.00 0.00 H new ATOM 0 HA LYS A 25 -7.394 0.775 -22.397 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -8.777 -0.305 -24.297 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -10.206 0.063 -23.351 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -9.602 2.495 -23.385 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -8.174 2.127 -24.331 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -9.605 1.189 -26.153 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -11.042 1.505 -25.203 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -10.486 3.956 -25.191 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -9.064 3.632 -26.163 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -10.906 4.352 -27.518 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -10.488 2.752 -27.904 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -11.866 3.066 -26.962 1.00 0.00 H new ATOM 423 N ARG A 26 -9.935 0.245 -20.398 1.00 0.00 N ATOM 424 CA ARG A 26 -10.844 0.765 -19.393 1.00 0.00 C ATOM 425 C ARG A 26 -10.168 1.536 -18.258 1.00 0.00 C ATOM 426 O ARG A 26 -10.886 2.181 -17.498 1.00 0.00 O ATOM 427 CB ARG A 26 -11.700 -0.374 -18.821 1.00 0.00 C ATOM 428 CG ARG A 26 -10.888 -1.394 -18.001 1.00 0.00 C ATOM 429 CD ARG A 26 -11.814 -2.289 -17.180 1.00 0.00 C ATOM 430 NE ARG A 26 -12.435 -1.505 -16.112 1.00 0.00 N ATOM 431 CZ ARG A 26 -13.163 -1.961 -15.090 1.00 0.00 C ATOM 432 NH1 ARG A 26 -13.373 -3.269 -14.909 1.00 0.00 N ATOM 433 NH2 ARG A 26 -13.671 -1.053 -14.256 1.00 0.00 N ATOM 0 H ARG A 26 -9.998 -0.767 -20.504 1.00 0.00 H new ATOM 0 HA ARG A 26 -11.469 1.494 -19.909 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -12.481 0.050 -18.190 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -12.198 -0.892 -19.641 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -10.282 -2.006 -18.670 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -10.200 -0.869 -17.338 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -12.582 -2.721 -17.822 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -11.251 -3.119 -16.755 1.00 0.00 H new ATOM 0 HE ARG A 26 -12.296 -0.495 -16.153 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -12.973 -3.945 -15.560 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -13.933 -3.591 -14.120 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -13.496 -0.061 -14.414 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -14.234 -1.351 -13.460 1.00 0.00 H new ATOM 447 N LEU A 27 -8.843 1.436 -18.081 1.00 0.00 N ATOM 448 CA LEU A 27 -8.147 2.027 -16.940 1.00 0.00 C ATOM 449 C LEU A 27 -8.569 3.482 -16.697 1.00 0.00 C ATOM 450 O LEU A 27 -9.099 3.809 -15.637 1.00 0.00 O ATOM 451 CB LEU A 27 -6.627 1.957 -17.132 1.00 0.00 C ATOM 452 CG LEU A 27 -6.064 0.529 -17.176 1.00 0.00 C ATOM 453 CD1 LEU A 27 -4.881 0.445 -18.146 1.00 0.00 C ATOM 454 CD2 LEU A 27 -5.579 0.129 -15.787 1.00 0.00 C ATOM 0 H LEU A 27 -8.228 0.942 -18.727 1.00 0.00 H new ATOM 0 HA LEU A 27 -8.428 1.443 -16.064 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -6.365 2.468 -18.059 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -6.144 2.501 -16.321 1.00 0.00 H new ATOM 0 HG LEU A 27 -6.855 -0.141 -17.511 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -4.496 -0.575 -18.163 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -5.210 0.725 -19.147 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -4.094 1.125 -17.819 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -5.180 -0.885 -15.819 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -4.798 0.817 -15.462 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -6.412 0.169 -15.085 1.00 0.00 H new ATOM 466 N ARG A 28 -8.332 4.361 -17.677 1.00 0.00 N ATOM 467 CA ARG A 28 -8.620 5.782 -17.529 1.00 0.00 C ATOM 468 C ARG A 28 -10.110 6.010 -17.287 1.00 0.00 C ATOM 469 O ARG A 28 -10.479 6.802 -16.419 1.00 0.00 O ATOM 470 CB ARG A 28 -8.150 6.547 -18.768 1.00 0.00 C ATOM 471 CG ARG A 28 -6.616 6.582 -18.852 1.00 0.00 C ATOM 472 CD ARG A 28 -6.157 6.342 -20.292 1.00 0.00 C ATOM 473 NE ARG A 28 -6.483 4.972 -20.709 1.00 0.00 N ATOM 474 CZ ARG A 28 -5.718 3.887 -20.518 1.00 0.00 C ATOM 475 NH1 ARG A 28 -4.494 3.986 -19.987 1.00 0.00 N ATOM 476 NH2 ARG A 28 -6.206 2.692 -20.850 1.00 0.00 N ATOM 0 H ARG A 28 -7.940 4.106 -18.583 1.00 0.00 H new ATOM 0 HA ARG A 28 -8.077 6.157 -16.662 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -8.555 6.077 -19.664 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -8.538 7.565 -18.739 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -6.248 7.546 -18.502 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -6.192 5.822 -18.196 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -6.639 7.057 -20.959 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -5.083 6.508 -20.371 1.00 0.00 H new ATOM 0 HE ARG A 28 -7.373 4.833 -21.188 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -4.127 4.899 -19.719 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -3.928 3.148 -19.850 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -7.145 2.615 -21.241 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -5.641 1.854 -20.713 1.00 0.00 H new ATOM 490 N ASP A 29 -10.965 5.322 -18.051 1.00 0.00 N ATOM 491 CA ASP A 29 -12.412 5.444 -17.923 1.00 0.00 C ATOM 492 C ASP A 29 -12.822 5.154 -16.478 1.00 0.00 C ATOM 493 O ASP A 29 -13.445 5.981 -15.813 1.00 0.00 O ATOM 494 CB ASP A 29 -13.120 4.480 -18.890 1.00 0.00 C ATOM 495 CG ASP A 29 -12.632 4.627 -20.328 1.00 0.00 C ATOM 496 OD1 ASP A 29 -11.506 4.149 -20.588 1.00 0.00 O ATOM 497 OD2 ASP A 29 -13.386 5.211 -21.134 1.00 0.00 O ATOM 0 H ASP A 29 -10.669 4.666 -18.774 1.00 0.00 H new ATOM 0 HA ASP A 29 -12.710 6.460 -18.181 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -12.958 3.454 -18.558 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -14.194 4.660 -18.855 1.00 0.00 H new ATOM 502 N THR A 30 -12.432 3.970 -16.003 1.00 0.00 N ATOM 503 CA THR A 30 -12.664 3.470 -14.658 1.00 0.00 C ATOM 504 C THR A 30 -12.191 4.495 -13.630 1.00 0.00 C ATOM 505 O THR A 30 -12.961 4.918 -12.766 1.00 0.00 O ATOM 506 CB THR A 30 -11.927 2.127 -14.516 1.00 0.00 C ATOM 507 OG1 THR A 30 -12.453 1.212 -15.452 1.00 0.00 O ATOM 508 CG2 THR A 30 -12.035 1.524 -13.119 1.00 0.00 C ATOM 0 H THR A 30 -11.920 3.304 -16.581 1.00 0.00 H new ATOM 0 HA THR A 30 -13.727 3.310 -14.479 1.00 0.00 H new ATOM 0 HB THR A 30 -10.870 2.323 -14.699 1.00 0.00 H new ATOM 0 HG1 THR A 30 -12.009 1.337 -16.317 1.00 0.00 H new ATOM 0 HG21 THR A 30 -11.493 0.579 -13.088 1.00 0.00 H new ATOM 0 HG22 THR A 30 -11.605 2.212 -12.391 1.00 0.00 H new ATOM 0 HG23 THR A 30 -13.084 1.350 -12.878 1.00 0.00 H new ATOM 516 N LEU A 31 -10.917 4.887 -13.738 1.00 0.00 N ATOM 517 CA LEU A 31 -10.277 5.814 -12.823 1.00 0.00 C ATOM 518 C LEU A 31 -11.087 7.104 -12.733 1.00 0.00 C ATOM 519 O LEU A 31 -11.522 7.484 -11.649 1.00 0.00 O ATOM 520 CB LEU A 31 -8.839 6.071 -13.299 1.00 0.00 C ATOM 521 CG LEU A 31 -8.067 7.077 -12.432 1.00 0.00 C ATOM 522 CD1 LEU A 31 -7.888 6.568 -10.999 1.00 0.00 C ATOM 523 CD2 LEU A 31 -6.692 7.324 -13.057 1.00 0.00 C ATOM 0 H LEU A 31 -10.298 4.558 -14.479 1.00 0.00 H new ATOM 0 HA LEU A 31 -10.236 5.389 -11.820 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -8.296 5.126 -13.312 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -8.866 6.437 -14.325 1.00 0.00 H new ATOM 0 HG LEU A 31 -8.642 8.002 -12.391 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -7.338 7.307 -10.417 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -8.866 6.404 -10.546 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -7.333 5.630 -11.013 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -6.138 8.037 -12.447 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -6.141 6.385 -13.107 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -6.816 7.726 -14.062 1.00 0.00 H new ATOM 535 N THR A 32 -11.294 7.769 -13.870 1.00 0.00 N ATOM 536 CA THR A 32 -11.995 9.044 -13.928 1.00 0.00 C ATOM 537 C THR A 32 -13.395 8.901 -13.329 1.00 0.00 C ATOM 538 O THR A 32 -13.791 9.678 -12.455 1.00 0.00 O ATOM 539 CB THR A 32 -12.038 9.542 -15.382 1.00 0.00 C ATOM 540 OG1 THR A 32 -10.738 9.512 -15.937 1.00 0.00 O ATOM 541 CG2 THR A 32 -12.557 10.980 -15.464 1.00 0.00 C ATOM 0 H THR A 32 -10.977 7.433 -14.779 1.00 0.00 H new ATOM 0 HA THR A 32 -11.463 9.788 -13.335 1.00 0.00 H new ATOM 0 HB THR A 32 -12.710 8.885 -15.934 1.00 0.00 H new ATOM 0 HG1 THR A 32 -10.543 8.609 -16.265 1.00 0.00 H new ATOM 0 HG21 THR A 32 -12.575 11.302 -16.505 1.00 0.00 H new ATOM 0 HG22 THR A 32 -13.565 11.027 -15.052 1.00 0.00 H new ATOM 0 HG23 THR A 32 -11.901 11.637 -14.893 1.00 0.00 H new ATOM 549 N SER A 33 -14.135 7.888 -13.797 1.00 0.00 N ATOM 550 CA SER A 33 -15.488 7.629 -13.336 1.00 0.00 C ATOM 551 C SER A 33 -15.515 7.532 -11.815 1.00 0.00 C ATOM 552 O SER A 33 -16.205 8.316 -11.167 1.00 0.00 O ATOM 553 CB SER A 33 -16.055 6.360 -13.983 1.00 0.00 C ATOM 554 OG SER A 33 -16.092 6.508 -15.387 1.00 0.00 O ATOM 0 H SER A 33 -13.806 7.231 -14.504 1.00 0.00 H new ATOM 0 HA SER A 33 -16.123 8.462 -13.638 1.00 0.00 H new ATOM 0 HB2 SER A 33 -15.441 5.500 -13.716 1.00 0.00 H new ATOM 0 HB3 SER A 33 -17.058 6.165 -13.603 1.00 0.00 H new ATOM 0 HG SER A 33 -15.213 6.292 -15.762 1.00 0.00 H new ATOM 560 N GLU A 34 -14.772 6.589 -11.231 1.00 0.00 N ATOM 561 CA GLU A 34 -14.876 6.376 -9.798 1.00 0.00 C ATOM 562 C GLU A 34 -14.297 7.561 -9.021 1.00 0.00 C ATOM 563 O GLU A 34 -14.898 8.004 -8.045 1.00 0.00 O ATOM 564 CB GLU A 34 -14.242 5.038 -9.403 1.00 0.00 C ATOM 565 CG GLU A 34 -14.771 4.568 -8.039 1.00 0.00 C ATOM 566 CD GLU A 34 -16.254 4.205 -8.082 1.00 0.00 C ATOM 567 OE1 GLU A 34 -16.561 3.171 -8.715 1.00 0.00 O ATOM 568 OE2 GLU A 34 -17.053 4.978 -7.511 1.00 0.00 O ATOM 0 H GLU A 34 -14.113 5.981 -11.716 1.00 0.00 H new ATOM 0 HA GLU A 34 -15.930 6.318 -9.528 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -14.462 4.287 -10.162 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -13.158 5.142 -9.362 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -14.197 3.702 -7.709 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -14.614 5.355 -7.301 1.00 0.00 H new ATOM 575 N LYS A 35 -13.151 8.099 -9.460 1.00 0.00 N ATOM 576 CA LYS A 35 -12.533 9.258 -8.832 1.00 0.00 C ATOM 577 C LYS A 35 -13.546 10.391 -8.683 1.00 0.00 C ATOM 578 O LYS A 35 -13.631 10.989 -7.611 1.00 0.00 O ATOM 579 CB LYS A 35 -11.292 9.709 -9.615 1.00 0.00 C ATOM 580 CG LYS A 35 -10.564 10.868 -8.914 1.00 0.00 C ATOM 581 CD LYS A 35 -9.362 11.382 -9.723 1.00 0.00 C ATOM 582 CE LYS A 35 -8.283 10.323 -9.981 1.00 0.00 C ATOM 583 NZ LYS A 35 -7.797 9.709 -8.733 1.00 0.00 N ATOM 0 H LYS A 35 -12.632 7.738 -10.261 1.00 0.00 H new ATOM 0 HA LYS A 35 -12.202 8.974 -7.833 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -10.609 8.867 -9.730 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -11.587 10.019 -10.617 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -11.265 11.687 -8.750 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -10.223 10.538 -7.932 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -9.718 11.763 -10.680 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -8.913 12.222 -9.193 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -8.686 9.548 -10.633 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -7.446 10.780 -10.509 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -7.011 9.062 -8.947 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -7.466 10.453 -8.086 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -8.570 9.178 -8.284 1.00 0.00 H new ATOM 597 N SER A 36 -14.309 10.696 -9.742 1.00 0.00 N ATOM 598 CA SER A 36 -15.294 11.766 -9.658 1.00 0.00 C ATOM 599 C SER A 36 -16.259 11.520 -8.492 1.00 0.00 C ATOM 600 O SER A 36 -16.440 12.400 -7.653 1.00 0.00 O ATOM 601 CB SER A 36 -16.009 11.980 -10.999 1.00 0.00 C ATOM 602 OG SER A 36 -16.877 10.915 -11.318 1.00 0.00 O ATOM 0 H SER A 36 -14.261 10.225 -10.645 1.00 0.00 H new ATOM 0 HA SER A 36 -14.775 12.701 -9.446 1.00 0.00 H new ATOM 0 HB2 SER A 36 -16.577 12.910 -10.961 1.00 0.00 H new ATOM 0 HB3 SER A 36 -15.267 12.091 -11.790 1.00 0.00 H new ATOM 0 HG SER A 36 -16.416 10.063 -11.173 1.00 0.00 H new ATOM 608 N LYS A 37 -16.852 10.324 -8.416 1.00 0.00 N ATOM 609 CA LYS A 37 -17.787 9.960 -7.357 1.00 0.00 C ATOM 610 C LYS A 37 -17.119 10.057 -5.985 1.00 0.00 C ATOM 611 O LYS A 37 -17.670 10.684 -5.081 1.00 0.00 O ATOM 612 CB LYS A 37 -18.375 8.555 -7.575 1.00 0.00 C ATOM 613 CG LYS A 37 -18.882 8.278 -8.996 1.00 0.00 C ATOM 614 CD LYS A 37 -19.805 9.372 -9.554 1.00 0.00 C ATOM 615 CE LYS A 37 -20.206 9.074 -11.003 1.00 0.00 C ATOM 616 NZ LYS A 37 -19.041 9.102 -11.908 1.00 0.00 N ATOM 0 H LYS A 37 -16.693 9.579 -9.094 1.00 0.00 H new ATOM 0 HA LYS A 37 -18.612 10.672 -7.392 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -17.613 7.816 -7.327 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -19.199 8.410 -6.877 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -18.026 8.165 -9.661 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -19.417 7.328 -9.001 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -20.699 9.448 -8.935 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -19.300 10.337 -9.505 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -20.684 8.096 -11.055 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -20.942 9.806 -11.335 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -19.350 9.370 -12.864 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -18.348 9.796 -11.561 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -18.602 8.160 -11.938 1.00 0.00 H new ATOM 630 N ILE A 38 -15.934 9.454 -5.833 1.00 0.00 N ATOM 631 CA ILE A 38 -15.174 9.499 -4.588 1.00 0.00 C ATOM 632 C ILE A 38 -15.022 10.955 -4.146 1.00 0.00 C ATOM 633 O ILE A 38 -15.421 11.305 -3.040 1.00 0.00 O ATOM 634 CB ILE A 38 -13.811 8.787 -4.737 1.00 0.00 C ATOM 635 CG1 ILE A 38 -14.012 7.270 -4.911 1.00 0.00 C ATOM 636 CG2 ILE A 38 -12.922 9.041 -3.506 1.00 0.00 C ATOM 637 CD1 ILE A 38 -12.750 6.565 -5.427 1.00 0.00 C ATOM 0 H ILE A 38 -15.478 8.921 -6.574 1.00 0.00 H new ATOM 0 HA ILE A 38 -15.715 8.958 -3.812 1.00 0.00 H new ATOM 0 HB ILE A 38 -13.319 9.193 -5.621 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -14.303 6.833 -3.956 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -14.833 7.093 -5.606 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -11.968 8.530 -3.634 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -12.748 10.112 -3.397 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -13.420 8.662 -2.613 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -12.946 5.498 -5.532 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -12.472 6.980 -6.396 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -11.934 6.716 -4.720 1.00 0.00 H new ATOM 649 N GLU A 39 -14.461 11.805 -5.007 1.00 0.00 N ATOM 650 CA GLU A 39 -14.229 13.209 -4.699 1.00 0.00 C ATOM 651 C GLU A 39 -15.538 13.932 -4.366 1.00 0.00 C ATOM 652 O GLU A 39 -15.607 14.675 -3.385 1.00 0.00 O ATOM 653 CB GLU A 39 -13.497 13.864 -5.877 1.00 0.00 C ATOM 654 CG GLU A 39 -12.040 13.386 -5.953 1.00 0.00 C ATOM 655 CD GLU A 39 -11.195 13.984 -4.834 1.00 0.00 C ATOM 656 OE1 GLU A 39 -10.964 15.212 -4.896 1.00 0.00 O ATOM 657 OE2 GLU A 39 -10.807 13.211 -3.933 1.00 0.00 O ATOM 0 H GLU A 39 -14.155 11.533 -5.941 1.00 0.00 H new ATOM 0 HA GLU A 39 -13.603 13.285 -3.810 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -14.011 13.625 -6.808 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -13.523 14.948 -5.768 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -12.010 12.298 -5.891 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -11.615 13.663 -6.918 1.00 0.00 H new ATOM 664 N THR A 40 -16.577 13.712 -5.179 1.00 0.00 N ATOM 665 CA THR A 40 -17.895 14.287 -4.953 1.00 0.00 C ATOM 666 C THR A 40 -18.360 13.962 -3.534 1.00 0.00 C ATOM 667 O THR A 40 -18.668 14.870 -2.765 1.00 0.00 O ATOM 668 CB THR A 40 -18.889 13.787 -6.016 1.00 0.00 C ATOM 669 OG1 THR A 40 -18.459 14.190 -7.297 1.00 0.00 O ATOM 670 CG2 THR A 40 -20.297 14.347 -5.818 1.00 0.00 C ATOM 0 H THR A 40 -16.521 13.127 -6.013 1.00 0.00 H new ATOM 0 HA THR A 40 -17.843 15.372 -5.049 1.00 0.00 H new ATOM 0 HB THR A 40 -18.922 12.702 -5.918 1.00 0.00 H new ATOM 0 HG1 THR A 40 -17.709 13.627 -7.582 1.00 0.00 H new ATOM 0 HG21 THR A 40 -20.955 13.961 -6.596 1.00 0.00 H new ATOM 0 HG22 THR A 40 -20.674 14.045 -4.841 1.00 0.00 H new ATOM 0 HG23 THR A 40 -20.267 15.435 -5.875 1.00 0.00 H new ATOM 678 N GLU A 41 -18.407 12.676 -3.179 1.00 0.00 N ATOM 679 CA GLU A 41 -18.889 12.262 -1.871 1.00 0.00 C ATOM 680 C GLU A 41 -17.972 12.750 -0.753 1.00 0.00 C ATOM 681 O GLU A 41 -18.460 13.283 0.237 1.00 0.00 O ATOM 682 CB GLU A 41 -19.122 10.748 -1.831 1.00 0.00 C ATOM 683 CG GLU A 41 -20.463 10.395 -2.491 1.00 0.00 C ATOM 684 CD GLU A 41 -21.651 10.751 -1.593 1.00 0.00 C ATOM 685 OE1 GLU A 41 -22.128 11.907 -1.680 1.00 0.00 O ATOM 686 OE2 GLU A 41 -22.046 9.865 -0.805 1.00 0.00 O ATOM 0 H GLU A 41 -18.116 11.908 -3.783 1.00 0.00 H new ATOM 0 HA GLU A 41 -19.855 12.737 -1.697 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -18.310 10.235 -2.346 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -19.115 10.400 -0.798 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -20.552 10.926 -3.439 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -20.486 9.329 -2.719 1.00 0.00 H new ATOM 693 N LEU A 42 -16.658 12.603 -0.912 1.00 0.00 N ATOM 694 CA LEU A 42 -15.662 13.110 0.024 1.00 0.00 C ATOM 695 C LEU A 42 -15.991 14.560 0.400 1.00 0.00 C ATOM 696 O LEU A 42 -16.206 14.874 1.573 1.00 0.00 O ATOM 697 CB LEU A 42 -14.274 12.969 -0.625 1.00 0.00 C ATOM 698 CG LEU A 42 -13.095 13.423 0.245 1.00 0.00 C ATOM 699 CD1 LEU A 42 -12.818 12.405 1.356 1.00 0.00 C ATOM 700 CD2 LEU A 42 -11.843 13.556 -0.631 1.00 0.00 C ATOM 0 H LEU A 42 -16.250 12.118 -1.711 1.00 0.00 H new ATOM 0 HA LEU A 42 -15.667 12.537 0.951 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -14.123 11.924 -0.897 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -14.264 13.544 -1.551 1.00 0.00 H new ATOM 0 HG LEU A 42 -13.346 14.382 0.698 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -11.978 12.746 1.961 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -13.702 12.304 1.986 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -12.577 11.439 0.912 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -11.002 13.879 -0.017 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -11.612 12.592 -1.085 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -12.024 14.292 -1.414 1.00 0.00 H new ATOM 712 N LYS A 43 -16.066 15.441 -0.606 1.00 0.00 N ATOM 713 CA LYS A 43 -16.360 16.848 -0.382 1.00 0.00 C ATOM 714 C LYS A 43 -17.770 17.029 0.183 1.00 0.00 C ATOM 715 O LYS A 43 -17.958 17.773 1.142 1.00 0.00 O ATOM 716 CB LYS A 43 -16.182 17.648 -1.678 1.00 0.00 C ATOM 717 CG LYS A 43 -14.732 17.695 -2.182 1.00 0.00 C ATOM 718 CD LYS A 43 -13.968 18.949 -1.723 1.00 0.00 C ATOM 719 CE LYS A 43 -13.726 19.008 -0.210 1.00 0.00 C ATOM 720 NZ LYS A 43 -12.830 20.120 0.152 1.00 0.00 N ATOM 0 H LYS A 43 -15.925 15.195 -1.586 1.00 0.00 H new ATOM 0 HA LYS A 43 -15.654 17.231 0.355 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -16.812 17.212 -2.453 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -16.534 18.667 -1.517 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -14.204 16.808 -1.832 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -14.732 17.657 -3.271 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -13.007 18.986 -2.237 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -14.526 19.835 -2.027 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -14.678 19.124 0.307 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -13.293 18.066 0.127 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -12.070 19.767 0.767 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -12.416 20.527 -0.711 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -13.371 20.852 0.655 1.00 0.00 H new ATOM 734 N ASN A 44 -18.768 16.366 -0.403 1.00 0.00 N ATOM 735 CA ASN A 44 -20.152 16.428 0.057 1.00 0.00 C ATOM 736 C ASN A 44 -20.247 16.130 1.557 1.00 0.00 C ATOM 737 O ASN A 44 -20.980 16.790 2.285 1.00 0.00 O ATOM 738 CB ASN A 44 -21.006 15.442 -0.747 1.00 0.00 C ATOM 739 CG ASN A 44 -22.478 15.457 -0.353 1.00 0.00 C ATOM 740 OD1 ASN A 44 -23.011 16.470 0.095 1.00 0.00 O ATOM 741 ND2 ASN A 44 -23.160 14.329 -0.544 1.00 0.00 N ATOM 0 H ASN A 44 -18.635 15.766 -1.217 1.00 0.00 H new ATOM 0 HA ASN A 44 -20.529 17.438 -0.103 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -20.919 15.678 -1.808 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -20.611 14.435 -0.611 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -24.154 14.289 -0.317 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -22.689 13.505 -0.918 1.00 0.00 H new ATOM 748 N LYS A 45 -19.501 15.135 2.030 1.00 0.00 N ATOM 749 CA LYS A 45 -19.540 14.730 3.423 1.00 0.00 C ATOM 750 C LYS A 45 -18.809 15.737 4.314 1.00 0.00 C ATOM 751 O LYS A 45 -19.383 16.186 5.304 1.00 0.00 O ATOM 752 CB LYS A 45 -19.003 13.299 3.554 1.00 0.00 C ATOM 753 CG LYS A 45 -19.905 12.289 2.824 1.00 0.00 C ATOM 754 CD LYS A 45 -21.179 11.953 3.616 1.00 0.00 C ATOM 755 CE LYS A 45 -22.064 10.959 2.854 1.00 0.00 C ATOM 756 NZ LYS A 45 -22.625 11.548 1.625 1.00 0.00 N ATOM 0 H LYS A 45 -18.856 14.591 1.457 1.00 0.00 H new ATOM 0 HA LYS A 45 -20.571 14.725 3.776 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -17.994 13.249 3.145 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -18.933 13.031 4.608 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -20.183 12.693 1.851 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -19.344 11.373 2.640 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -20.907 11.533 4.584 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -21.740 12.867 3.811 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -21.479 10.075 2.598 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -22.876 10.627 3.501 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -23.663 11.548 1.683 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -22.284 12.525 1.521 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -22.324 10.987 0.803 1.00 0.00 H new ATOM 770 N MET A 46 -17.552 16.085 4.010 1.00 0.00 N ATOM 771 CA MET A 46 -16.781 16.936 4.924 1.00 0.00 C ATOM 772 C MET A 46 -17.138 18.425 4.811 1.00 0.00 C ATOM 773 O MET A 46 -17.100 19.145 5.805 1.00 0.00 O ATOM 774 CB MET A 46 -15.272 16.679 4.793 1.00 0.00 C ATOM 775 CG MET A 46 -14.635 17.235 3.512 1.00 0.00 C ATOM 776 SD MET A 46 -12.844 17.007 3.352 1.00 0.00 S ATOM 777 CE MET A 46 -12.699 15.226 3.616 1.00 0.00 C ATOM 0 H MET A 46 -17.059 15.800 3.164 1.00 0.00 H new ATOM 0 HA MET A 46 -17.071 16.648 5.934 1.00 0.00 H new ATOM 0 HB2 MET A 46 -14.767 17.117 5.654 1.00 0.00 H new ATOM 0 HB3 MET A 46 -15.096 15.604 4.833 1.00 0.00 H new ATOM 0 HG2 MET A 46 -15.119 16.765 2.656 1.00 0.00 H new ATOM 0 HG3 MET A 46 -14.852 18.302 3.455 1.00 0.00 H new ATOM 0 HE1 MET A 46 -11.703 14.895 3.324 1.00 0.00 H new ATOM 0 HE2 MET A 46 -12.862 15.000 4.670 1.00 0.00 H new ATOM 0 HE3 MET A 46 -13.445 14.707 3.014 1.00 0.00 H new ATOM 787 N GLN A 47 -17.426 18.895 3.594 1.00 0.00 N ATOM 788 CA GLN A 47 -17.584 20.306 3.252 1.00 0.00 C ATOM 789 C GLN A 47 -19.051 20.625 2.951 1.00 0.00 C ATOM 790 O GLN A 47 -19.577 21.634 3.416 1.00 0.00 O ATOM 791 CB GLN A 47 -16.668 20.610 2.057 1.00 0.00 C ATOM 792 CG GLN A 47 -16.539 22.098 1.726 1.00 0.00 C ATOM 793 CD GLN A 47 -15.468 22.286 0.655 1.00 0.00 C ATOM 794 OE1 GLN A 47 -14.329 22.626 0.954 1.00 0.00 O ATOM 795 NE2 GLN A 47 -15.797 22.017 -0.604 1.00 0.00 N ATOM 0 H GLN A 47 -17.560 18.278 2.793 1.00 0.00 H new ATOM 0 HA GLN A 47 -17.297 20.940 4.091 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -15.676 20.208 2.263 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -17.048 20.086 1.180 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -17.494 22.488 1.374 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -16.276 22.660 2.622 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -16.750 21.736 -0.833 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -15.096 22.092 -1.341 1.00 0.00 H new ATOM 804 N GLN A 48 -19.708 19.769 2.162 1.00 0.00 N ATOM 805 CA GLN A 48 -21.130 19.825 1.844 1.00 0.00 C ATOM 806 C GLN A 48 -21.481 21.015 0.947 1.00 0.00 C ATOM 807 O GLN A 48 -21.783 20.812 -0.228 1.00 0.00 O ATOM 808 CB GLN A 48 -21.987 19.738 3.124 1.00 0.00 C ATOM 809 CG GLN A 48 -23.343 19.042 2.912 1.00 0.00 C ATOM 810 CD GLN A 48 -24.168 19.659 1.789 1.00 0.00 C ATOM 811 OE1 GLN A 48 -24.707 20.752 1.935 1.00 0.00 O ATOM 812 NE2 GLN A 48 -24.266 18.976 0.653 1.00 0.00 N ATOM 0 H GLN A 48 -19.238 18.985 1.710 1.00 0.00 H new ATOM 0 HA GLN A 48 -21.375 18.945 1.249 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -21.428 19.200 3.890 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -22.160 20.745 3.504 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -23.172 17.988 2.691 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -23.915 19.085 3.839 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -23.807 18.070 0.562 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -24.800 19.358 -0.127 1.00 0.00 H new ATOM 821 N LYS A 49 -21.431 22.229 1.509 1.00 0.00 N ATOM 822 CA LYS A 49 -21.910 23.496 0.957 1.00 0.00 C ATOM 823 C LYS A 49 -21.774 23.563 -0.565 1.00 0.00 C ATOM 824 O LYS A 49 -22.747 23.808 -1.275 1.00 0.00 O ATOM 825 CB LYS A 49 -21.175 24.648 1.670 1.00 0.00 C ATOM 826 CG LYS A 49 -21.920 25.993 1.660 1.00 0.00 C ATOM 827 CD LYS A 49 -22.008 26.643 0.272 1.00 0.00 C ATOM 828 CE LYS A 49 -22.435 28.113 0.366 1.00 0.00 C ATOM 829 NZ LYS A 49 -23.773 28.256 0.968 1.00 0.00 N ATOM 0 H LYS A 49 -21.022 22.358 2.434 1.00 0.00 H new ATOM 0 HA LYS A 49 -22.980 23.586 1.143 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -20.992 24.358 2.705 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -20.201 24.785 1.200 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -22.929 25.842 2.045 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -21.419 26.680 2.342 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -21.040 26.575 -0.225 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -22.721 26.094 -0.343 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -21.708 28.666 0.961 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -22.435 28.556 -0.630 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -24.070 29.252 0.922 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -24.453 27.668 0.446 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -23.741 27.950 1.961 1.00 0.00 H new ATOM 843 N SER A 50 -20.561 23.343 -1.072 1.00 0.00 N ATOM 844 CA SER A 50 -20.308 23.170 -2.489 1.00 0.00 C ATOM 845 C SER A 50 -19.208 22.122 -2.605 1.00 0.00 C ATOM 846 O SER A 50 -18.265 22.130 -1.812 1.00 0.00 O ATOM 847 CB SER A 50 -19.908 24.513 -3.105 1.00 0.00 C ATOM 848 OG SER A 50 -19.655 24.373 -4.489 1.00 0.00 O ATOM 0 H SER A 50 -19.721 23.280 -0.497 1.00 0.00 H new ATOM 0 HA SER A 50 -21.190 22.833 -3.033 1.00 0.00 H new ATOM 0 HB2 SER A 50 -20.703 25.242 -2.948 1.00 0.00 H new ATOM 0 HB3 SER A 50 -19.019 24.898 -2.605 1.00 0.00 H new ATOM 0 HG SER A 50 -19.403 25.242 -4.865 1.00 0.00 H new ATOM 854 N GLN A 51 -19.326 21.202 -3.564 1.00 0.00 N ATOM 855 CA GLN A 51 -18.380 20.108 -3.722 1.00 0.00 C ATOM 856 C GLN A 51 -17.172 20.602 -4.524 1.00 0.00 C ATOM 857 O GLN A 51 -16.895 20.125 -5.624 1.00 0.00 O ATOM 858 CB GLN A 51 -19.066 18.881 -4.341 1.00 0.00 C ATOM 859 CG GLN A 51 -20.266 18.397 -3.507 1.00 0.00 C ATOM 860 CD GLN A 51 -21.534 19.197 -3.802 1.00 0.00 C ATOM 861 OE1 GLN A 51 -22.029 19.176 -4.923 1.00 0.00 O ATOM 862 NE2 GLN A 51 -22.068 19.941 -2.837 1.00 0.00 N ATOM 0 H GLN A 51 -20.081 21.199 -4.250 1.00 0.00 H new ATOM 0 HA GLN A 51 -18.013 19.780 -2.749 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -19.402 19.126 -5.349 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -18.342 18.072 -4.434 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -20.448 17.342 -3.713 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -20.026 18.478 -2.447 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -21.647 19.950 -1.908 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -22.898 20.502 -3.026 1.00 0.00 H new ATOM 871 N LYS A 52 -16.457 21.580 -3.961 1.00 0.00 N ATOM 872 CA LYS A 52 -15.317 22.214 -4.606 1.00 0.00 C ATOM 873 C LYS A 52 -14.123 21.258 -4.617 1.00 0.00 C ATOM 874 O LYS A 52 -13.221 21.361 -3.786 1.00 0.00 O ATOM 875 CB LYS A 52 -14.987 23.546 -3.915 1.00 0.00 C ATOM 876 CG LYS A 52 -16.135 24.552 -4.069 1.00 0.00 C ATOM 877 CD LYS A 52 -15.926 25.809 -3.212 1.00 0.00 C ATOM 878 CE LYS A 52 -14.675 26.594 -3.626 1.00 0.00 C ATOM 879 NZ LYS A 52 -14.570 27.862 -2.883 1.00 0.00 N ATOM 0 H LYS A 52 -16.660 21.954 -3.034 1.00 0.00 H new ATOM 0 HA LYS A 52 -15.565 22.441 -5.643 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -14.793 23.371 -2.857 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -14.075 23.963 -4.341 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -16.225 24.840 -5.116 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -17.074 24.075 -3.788 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -16.801 26.453 -3.297 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -15.842 25.522 -2.164 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -13.787 25.989 -3.445 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -14.709 26.798 -4.696 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -13.715 28.371 -3.184 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -15.407 28.448 -3.076 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -14.514 27.663 -1.864 1.00 0.00 H new ATOM 893 N LYS A 53 -14.133 20.315 -5.559 1.00 0.00 N ATOM 894 CA LYS A 53 -13.002 19.440 -5.834 1.00 0.00 C ATOM 895 C LYS A 53 -11.734 20.283 -6.055 1.00 0.00 C ATOM 896 O LYS A 53 -11.815 21.296 -6.750 1.00 0.00 O ATOM 897 CB LYS A 53 -13.284 18.604 -7.092 1.00 0.00 C ATOM 898 CG LYS A 53 -14.545 17.741 -6.964 1.00 0.00 C ATOM 899 CD LYS A 53 -14.722 16.896 -8.232 1.00 0.00 C ATOM 900 CE LYS A 53 -15.909 15.934 -8.111 1.00 0.00 C ATOM 901 NZ LYS A 53 -17.186 16.639 -7.905 1.00 0.00 N ATOM 0 H LYS A 53 -14.939 20.138 -6.158 1.00 0.00 H new ATOM 0 HA LYS A 53 -12.852 18.775 -4.983 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -13.391 19.270 -7.948 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -12.428 17.960 -7.294 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -14.467 17.093 -6.091 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -15.418 18.376 -6.813 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -14.872 17.553 -9.089 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -13.811 16.328 -8.421 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -15.974 15.327 -9.014 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -15.736 15.251 -7.279 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -17.950 15.944 -7.779 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -17.119 17.238 -7.058 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -17.392 17.233 -8.733 1.00 0.00 H new ATOM 915 N PRO A 54 -10.565 19.878 -5.525 1.00 0.00 N ATOM 916 CA PRO A 54 -9.291 20.533 -5.802 1.00 0.00 C ATOM 917 C PRO A 54 -9.057 20.752 -7.299 1.00 0.00 C ATOM 918 O PRO A 54 -8.588 21.806 -7.721 1.00 0.00 O ATOM 919 CB PRO A 54 -8.218 19.622 -5.197 1.00 0.00 C ATOM 920 CG PRO A 54 -8.957 18.931 -4.054 1.00 0.00 C ATOM 921 CD PRO A 54 -10.369 18.761 -4.614 1.00 0.00 C ATOM 0 HA PRO A 54 -9.269 21.532 -5.366 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -7.841 18.904 -5.925 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -7.361 20.192 -4.837 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -8.504 17.972 -3.801 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -8.952 19.535 -3.146 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -10.473 17.808 -5.134 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -11.111 18.771 -3.816 1.00 0.00 H new ATOM 929 N GLU A 55 -9.397 19.740 -8.099 1.00 0.00 N ATOM 930 CA GLU A 55 -9.280 19.785 -9.546 1.00 0.00 C ATOM 931 C GLU A 55 -10.020 21.010 -10.097 1.00 0.00 C ATOM 932 O GLU A 55 -10.928 20.881 -10.917 1.00 0.00 O ATOM 933 CB GLU A 55 -9.802 18.469 -10.153 1.00 0.00 C ATOM 934 CG GLU A 55 -9.191 17.208 -9.521 1.00 0.00 C ATOM 935 CD GLU A 55 -7.667 17.247 -9.495 1.00 0.00 C ATOM 936 OE1 GLU A 55 -7.078 17.088 -10.586 1.00 0.00 O ATOM 937 OE2 GLU A 55 -7.122 17.443 -8.387 1.00 0.00 O ATOM 0 H GLU A 55 -9.766 18.856 -7.749 1.00 0.00 H new ATOM 0 HA GLU A 55 -8.232 19.886 -9.828 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -10.885 18.432 -10.040 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -9.593 18.465 -11.223 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -9.566 17.098 -8.503 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -9.519 16.331 -10.078 1.00 0.00 H new TER 944 GLU A 55