USER MOD reduce.3.24.130724 H: found=0, std=0, add=740, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 739 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 12 HIS : no HE2:sc= -3.33! X(o=-3.8!,f=-4.1) USER MOD Set 1.2: A 72 SER OG : rot -112:sc= -0.471! USER MOD Set 2.1: A 37 THR OG1 : rot -76:sc= 0.051 USER MOD Set 2.2: A 45 GLN : amide:sc= 0.0193 X(o=0.07,f=-0.24) USER MOD Single : A 7 GLN :FLIP amide:sc= -3.43! C(o=-5.4!,f=-3.4!) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 SER OG : rot -107:sc= 0.797 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 HIS : no HD1:sc= -10.4! C(o=-10!,f=-12!) USER MOD Single : A 18 GLN : amide:sc= -0.335 K(o=-0.34,f=-3.1!) USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 SER OG : rot 180:sc= 0.123 USER MOD Single : A 55 SER OG : rot 119:sc=-0.00896 USER MOD Single : A 57 LYS NZ :NH3+ -151:sc= 0 (180deg=-0.0286) USER MOD Single : A 59 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 65 THR OG1 : rot -130:sc= -3.88! USER MOD Single : A 68 SER OG : rot -170:sc= -0.758 USER MOD Single : A 70 CYS SG : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 86 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 87 MET CE :methyl -166:sc= -16.3! (180deg=-18.5!) USER MOD Single : A 88 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 THR OG1 : rot 107:sc= -0.696! USER MOD Single : A 96 TYR OH : rot 30:sc= -0.105 USER MOD Single : A 99 LYS NZ :NH3+ -168:sc= 1.14 (180deg=1.03) USER MOD Single : A 104 SER OG : rot -97:sc= -3.74! USER MOD Single : A 109 THR OG1 : rot 78:sc= -2.58! USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 114 HIS : no HE2:sc= -15.2! C(o=-15!,f=-16!) USER MOD Single : A 117 LYS NZ :NH3+ 162:sc= -1.65! (180deg=-2.12!) USER MOD Single : A 119 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 92 N GLN A 7 18.029 6.963 3.922 1.00 0.00 N ATOM 93 CA GLN A 7 16.593 7.201 3.570 1.00 0.00 C ATOM 94 C GLN A 7 16.052 6.039 2.722 1.00 0.00 C ATOM 95 O GLN A 7 16.798 5.346 2.058 1.00 0.00 O ATOM 96 CB GLN A 7 16.619 8.528 2.793 1.00 0.00 C ATOM 97 CG GLN A 7 15.499 8.578 1.749 1.00 0.00 C ATOM 98 CD GLN A 7 16.092 8.331 0.361 1.00 0.00 C ATOM 99 OE1 GLN A 7 16.137 7.117 -0.112 1.00 0.00 O flip ATOM 100 NE2 GLN A 7 16.518 9.256 -0.302 1.00 0.00 N flip ATOM 0 HA GLN A 7 15.935 7.256 4.437 1.00 0.00 H new ATOM 0 HB2 GLN A 7 16.511 9.362 3.487 1.00 0.00 H new ATOM 0 HB3 GLN A 7 17.584 8.646 2.301 1.00 0.00 H new ATOM 0 HG2 GLN A 7 14.743 7.826 1.973 1.00 0.00 H new ATOM 0 HG3 GLN A 7 15.002 9.548 1.778 1.00 0.00 H new ATOM 0 HE21 GLN A 7 16.483 10.206 0.067 1.00 0.00 H new ATOM 0 HE22 GLN A 7 16.910 9.082 -1.227 1.00 0.00 H new ATOM 109 N VAL A 8 14.763 5.805 2.755 1.00 0.00 N ATOM 110 CA VAL A 8 14.196 4.667 1.965 1.00 0.00 C ATOM 111 C VAL A 8 13.193 5.151 0.910 1.00 0.00 C ATOM 112 O VAL A 8 12.146 5.677 1.230 1.00 0.00 O ATOM 113 CB VAL A 8 13.479 3.782 2.997 1.00 0.00 C ATOM 114 CG1 VAL A 8 12.709 4.662 3.979 1.00 0.00 C ATOM 115 CG2 VAL A 8 12.484 2.855 2.288 1.00 0.00 C ATOM 0 H VAL A 8 14.084 6.347 3.289 1.00 0.00 H new ATOM 0 HA VAL A 8 14.981 4.138 1.424 1.00 0.00 H new ATOM 0 HB VAL A 8 14.223 3.189 3.529 1.00 0.00 H new ATOM 0 HG11 VAL A 8 12.201 4.033 4.710 1.00 0.00 H new ATOM 0 HG12 VAL A 8 13.403 5.327 4.493 1.00 0.00 H new ATOM 0 HG13 VAL A 8 11.973 5.255 3.436 1.00 0.00 H new ATOM 0 HG21 VAL A 8 11.979 2.231 3.025 1.00 0.00 H new ATOM 0 HG22 VAL A 8 11.746 3.454 1.754 1.00 0.00 H new ATOM 0 HG23 VAL A 8 13.018 2.221 1.580 1.00 0.00 H new ATOM 125 N LYS A 9 13.481 4.927 -0.345 1.00 0.00 N ATOM 126 CA LYS A 9 12.514 5.322 -1.408 1.00 0.00 C ATOM 127 C LYS A 9 11.578 4.136 -1.660 1.00 0.00 C ATOM 128 O LYS A 9 11.876 3.025 -1.266 1.00 0.00 O ATOM 129 CB LYS A 9 13.349 5.611 -2.653 1.00 0.00 C ATOM 130 CG LYS A 9 14.138 6.911 -2.460 1.00 0.00 C ATOM 131 CD LYS A 9 14.022 7.833 -3.694 1.00 0.00 C ATOM 132 CE LYS A 9 13.858 7.028 -4.989 1.00 0.00 C ATOM 133 NZ LYS A 9 14.919 7.546 -5.897 1.00 0.00 N ATOM 0 H LYS A 9 14.340 4.490 -0.678 1.00 0.00 H new ATOM 0 HA LYS A 9 11.916 6.191 -1.135 1.00 0.00 H new ATOM 0 HB2 LYS A 9 14.034 4.784 -2.843 1.00 0.00 H new ATOM 0 HB3 LYS A 9 12.701 5.695 -3.525 1.00 0.00 H new ATOM 0 HG2 LYS A 9 13.769 7.434 -1.578 1.00 0.00 H new ATOM 0 HG3 LYS A 9 15.187 6.677 -2.277 1.00 0.00 H new ATOM 0 HD2 LYS A 9 13.170 8.501 -3.570 1.00 0.00 H new ATOM 0 HD3 LYS A 9 14.911 8.460 -3.765 1.00 0.00 H new ATOM 0 HE2 LYS A 9 13.979 5.960 -4.809 1.00 0.00 H new ATOM 0 HE3 LYS A 9 12.866 7.168 -5.419 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 14.873 7.044 -6.807 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 14.774 8.564 -6.055 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 15.852 7.392 -5.464 1.00 0.00 H new ATOM 147 N ALA A 10 10.456 4.330 -2.300 1.00 0.00 N ATOM 148 CA ALA A 10 9.556 3.153 -2.531 1.00 0.00 C ATOM 149 C ALA A 10 8.202 3.559 -3.116 1.00 0.00 C ATOM 150 O ALA A 10 7.817 4.711 -3.095 1.00 0.00 O ATOM 151 CB ALA A 10 9.342 2.551 -1.141 1.00 0.00 C ATOM 0 H ALA A 10 10.126 5.223 -2.665 1.00 0.00 H new ATOM 0 HA ALA A 10 10.003 2.462 -3.246 1.00 0.00 H new ATOM 0 HB1 ALA A 10 8.691 1.680 -1.218 1.00 0.00 H new ATOM 0 HB2 ALA A 10 10.303 2.250 -0.723 1.00 0.00 H new ATOM 0 HB3 ALA A 10 8.879 3.293 -0.490 1.00 0.00 H new ATOM 157 N SER A 11 7.464 2.595 -3.610 1.00 0.00 N ATOM 158 CA SER A 11 6.114 2.885 -4.167 1.00 0.00 C ATOM 159 C SER A 11 5.081 2.035 -3.431 1.00 0.00 C ATOM 160 O SER A 11 5.429 1.267 -2.556 1.00 0.00 O ATOM 161 CB SER A 11 6.184 2.493 -5.641 1.00 0.00 C ATOM 162 OG SER A 11 5.758 1.146 -5.789 1.00 0.00 O ATOM 0 H SER A 11 7.744 1.615 -3.650 1.00 0.00 H new ATOM 0 HA SER A 11 5.828 3.931 -4.054 1.00 0.00 H new ATOM 0 HB2 SER A 11 5.553 3.154 -6.235 1.00 0.00 H new ATOM 0 HB3 SER A 11 7.203 2.607 -6.012 1.00 0.00 H new ATOM 0 HG SER A 11 6.533 0.576 -5.975 1.00 0.00 H new ATOM 168 N HIS A 12 3.818 2.149 -3.758 1.00 0.00 N ATOM 169 CA HIS A 12 2.816 1.312 -3.019 1.00 0.00 C ATOM 170 C HIS A 12 1.387 1.522 -3.540 1.00 0.00 C ATOM 171 O HIS A 12 1.125 2.369 -4.371 1.00 0.00 O ATOM 172 CB HIS A 12 2.912 1.788 -1.565 1.00 0.00 C ATOM 173 CG HIS A 12 2.245 3.129 -1.426 1.00 0.00 C ATOM 174 ND1 HIS A 12 1.635 3.531 -0.248 1.00 0.00 N ATOM 175 CD2 HIS A 12 2.084 4.169 -2.306 1.00 0.00 C ATOM 176 CE1 HIS A 12 1.140 4.766 -0.449 1.00 0.00 C ATOM 177 NE2 HIS A 12 1.386 5.202 -1.688 1.00 0.00 N ATOM 0 H HIS A 12 3.443 2.764 -4.480 1.00 0.00 H new ATOM 0 HA HIS A 12 3.027 0.250 -3.142 1.00 0.00 H new ATOM 0 HB2 HIS A 12 2.437 1.064 -0.903 1.00 0.00 H new ATOM 0 HB3 HIS A 12 3.957 1.858 -1.263 1.00 0.00 H new ATOM 0 HD1 HIS A 12 1.573 2.989 0.614 1.00 0.00 H new ATOM 0 HD2 HIS A 12 2.444 4.184 -3.324 1.00 0.00 H new ATOM 0 HE1 HIS A 12 0.609 5.335 0.299 1.00 0.00 H new ATOM 185 N ILE A 13 0.461 0.753 -3.024 1.00 0.00 N ATOM 186 CA ILE A 13 -0.970 0.883 -3.436 1.00 0.00 C ATOM 187 C ILE A 13 -1.861 0.728 -2.190 1.00 0.00 C ATOM 188 O ILE A 13 -1.376 0.452 -1.112 1.00 0.00 O ATOM 189 CB ILE A 13 -1.207 -0.258 -4.436 1.00 0.00 C ATOM 190 CG1 ILE A 13 -0.617 0.129 -5.801 1.00 0.00 C ATOM 191 CG2 ILE A 13 -2.707 -0.520 -4.584 1.00 0.00 C ATOM 192 CD1 ILE A 13 -1.223 -0.750 -6.906 1.00 0.00 C ATOM 0 H ILE A 13 0.639 0.031 -2.326 1.00 0.00 H new ATOM 0 HA ILE A 13 -1.203 1.848 -3.886 1.00 0.00 H new ATOM 0 HB ILE A 13 -0.721 -1.162 -4.069 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -0.820 1.180 -6.009 1.00 0.00 H new ATOM 0 HG13 ILE A 13 0.466 0.011 -5.784 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -2.866 -1.331 -5.295 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -3.125 -0.798 -3.617 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -3.200 0.382 -4.946 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -0.798 -0.468 -7.869 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -0.998 -1.797 -6.703 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -2.304 -0.610 -6.931 1.00 0.00 H new ATOM 204 N LEU A 14 -3.151 0.905 -2.318 1.00 0.00 N ATOM 205 CA LEU A 14 -4.046 0.768 -1.123 1.00 0.00 C ATOM 206 C LEU A 14 -5.380 0.127 -1.514 1.00 0.00 C ATOM 207 O LEU A 14 -6.009 0.519 -2.475 1.00 0.00 O ATOM 208 CB LEU A 14 -4.278 2.200 -0.623 1.00 0.00 C ATOM 209 CG LEU A 14 -5.378 2.209 0.449 1.00 0.00 C ATOM 210 CD1 LEU A 14 -4.744 2.062 1.832 1.00 0.00 C ATOM 211 CD2 LEU A 14 -6.158 3.528 0.377 1.00 0.00 C ATOM 0 H LEU A 14 -3.624 1.137 -3.191 1.00 0.00 H new ATOM 0 HA LEU A 14 -3.599 0.131 -0.360 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -3.354 2.605 -0.211 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -4.564 2.843 -1.455 1.00 0.00 H new ATOM 0 HG LEU A 14 -6.061 1.378 0.274 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -5.525 2.068 2.593 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -4.196 1.121 1.883 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -4.059 2.891 2.008 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -6.938 3.532 1.139 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -5.478 4.363 0.550 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -6.613 3.628 -0.608 1.00 0.00 H new ATOM 223 N ILE A 15 -5.829 -0.842 -0.762 1.00 0.00 N ATOM 224 CA ILE A 15 -7.135 -1.488 -1.083 1.00 0.00 C ATOM 225 C ILE A 15 -8.233 -0.895 -0.185 1.00 0.00 C ATOM 226 O ILE A 15 -7.966 -0.092 0.686 1.00 0.00 O ATOM 227 CB ILE A 15 -6.914 -2.994 -0.817 1.00 0.00 C ATOM 228 CG1 ILE A 15 -7.002 -3.748 -2.154 1.00 0.00 C ATOM 229 CG2 ILE A 15 -7.969 -3.545 0.157 1.00 0.00 C ATOM 230 CD1 ILE A 15 -7.292 -5.234 -1.910 1.00 0.00 C ATOM 0 H ILE A 15 -5.350 -1.213 0.058 1.00 0.00 H new ATOM 0 HA ILE A 15 -7.457 -1.323 -2.111 1.00 0.00 H new ATOM 0 HB ILE A 15 -5.932 -3.134 -0.365 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -7.788 -3.314 -2.773 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -6.067 -3.639 -2.703 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -7.789 -4.607 0.326 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -7.903 -3.011 1.105 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -8.963 -3.409 -0.268 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -7.352 -5.755 -2.866 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -6.492 -5.667 -1.310 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -8.239 -5.338 -1.381 1.00 0.00 H new ATOM 242 N LYS A 16 -9.462 -1.285 -0.390 1.00 0.00 N ATOM 243 CA LYS A 16 -10.562 -0.740 0.457 1.00 0.00 C ATOM 244 C LYS A 16 -10.973 -1.763 1.521 1.00 0.00 C ATOM 245 O LYS A 16 -11.022 -2.951 1.270 1.00 0.00 O ATOM 246 CB LYS A 16 -11.717 -0.466 -0.510 1.00 0.00 C ATOM 247 CG LYS A 16 -12.257 -1.788 -1.060 1.00 0.00 C ATOM 248 CD LYS A 16 -12.917 -1.541 -2.419 1.00 0.00 C ATOM 249 CE LYS A 16 -14.437 -1.483 -2.251 1.00 0.00 C ATOM 250 NZ LYS A 16 -14.976 -1.515 -3.639 1.00 0.00 N ATOM 0 H LYS A 16 -9.751 -1.954 -1.104 1.00 0.00 H new ATOM 0 HA LYS A 16 -10.261 0.162 0.990 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -12.511 0.077 0.002 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -11.375 0.167 -1.329 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -11.447 -2.510 -1.163 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -12.979 -2.216 -0.365 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -12.553 -0.607 -2.847 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -12.648 -2.336 -3.115 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -14.802 -2.327 -1.665 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -14.743 -0.576 -1.729 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -16.015 -1.478 -3.609 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -14.616 -0.697 -4.170 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -14.674 -2.392 -4.109 1.00 0.00 H new ATOM 264 N HIS A 17 -11.271 -1.307 2.708 1.00 0.00 N ATOM 265 CA HIS A 17 -11.683 -2.244 3.794 1.00 0.00 C ATOM 266 C HIS A 17 -12.311 -1.464 4.952 1.00 0.00 C ATOM 267 O HIS A 17 -12.631 -0.298 4.826 1.00 0.00 O ATOM 268 CB HIS A 17 -10.394 -2.942 4.243 1.00 0.00 C ATOM 269 CG HIS A 17 -9.553 -1.998 5.060 1.00 0.00 C ATOM 270 ND1 HIS A 17 -9.754 -0.625 5.056 1.00 0.00 N ATOM 271 CD2 HIS A 17 -8.500 -2.218 5.914 1.00 0.00 C ATOM 272 CE1 HIS A 17 -8.843 -0.080 5.882 1.00 0.00 C ATOM 273 NE2 HIS A 17 -8.053 -1.007 6.431 1.00 0.00 N ATOM 0 H HIS A 17 -11.247 -0.322 2.974 1.00 0.00 H new ATOM 0 HA HIS A 17 -12.428 -2.963 3.455 1.00 0.00 H new ATOM 0 HB2 HIS A 17 -10.636 -3.827 4.831 1.00 0.00 H new ATOM 0 HB3 HIS A 17 -9.833 -3.281 3.372 1.00 0.00 H new ATOM 0 HD2 HIS A 17 -8.082 -3.186 6.149 1.00 0.00 H new ATOM 0 HE1 HIS A 17 -8.760 0.979 6.078 1.00 0.00 H new ATOM 0 HE2 HIS A 17 -7.287 -0.858 7.088 1.00 0.00 H new ATOM 281 N GLN A 18 -12.493 -2.096 6.078 1.00 0.00 N ATOM 282 CA GLN A 18 -13.105 -1.391 7.241 1.00 0.00 C ATOM 283 C GLN A 18 -12.257 -0.181 7.639 1.00 0.00 C ATOM 284 O GLN A 18 -12.730 0.938 7.677 1.00 0.00 O ATOM 285 CB GLN A 18 -13.121 -2.426 8.365 1.00 0.00 C ATOM 286 CG GLN A 18 -14.362 -3.309 8.227 1.00 0.00 C ATOM 287 CD GLN A 18 -15.276 -3.097 9.435 1.00 0.00 C ATOM 288 OE1 GLN A 18 -15.075 -2.183 10.210 1.00 0.00 O ATOM 289 NE2 GLN A 18 -16.279 -3.910 9.632 1.00 0.00 N ATOM 0 H GLN A 18 -12.244 -3.071 6.244 1.00 0.00 H new ATOM 0 HA GLN A 18 -14.103 -1.015 7.015 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -12.220 -3.038 8.323 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -13.123 -1.927 9.334 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -14.894 -3.065 7.308 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -14.070 -4.357 8.158 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -16.449 -4.678 8.982 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -16.893 -3.777 10.436 1.00 0.00 H new ATOM 298 N GLY A 19 -11.010 -0.400 7.939 1.00 0.00 N ATOM 299 CA GLY A 19 -10.126 0.732 8.338 1.00 0.00 C ATOM 300 C GLY A 19 -10.499 1.203 9.746 1.00 0.00 C ATOM 301 O GLY A 19 -10.804 0.411 10.616 1.00 0.00 O ATOM 0 H GLY A 19 -10.561 -1.316 7.926 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -9.082 0.418 8.313 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -10.229 1.554 7.630 1.00 0.00 H new ATOM 594 N THR A 37 -15.333 -5.701 2.021 1.00 0.00 N ATOM 595 CA THR A 37 -14.028 -6.092 2.623 1.00 0.00 C ATOM 596 C THR A 37 -13.917 -5.517 4.038 1.00 0.00 C ATOM 597 O THR A 37 -14.255 -4.377 4.282 1.00 0.00 O ATOM 598 CB THR A 37 -12.967 -5.478 1.708 1.00 0.00 C ATOM 599 OG1 THR A 37 -12.997 -6.133 0.448 1.00 0.00 O ATOM 600 CG2 THR A 37 -11.585 -5.648 2.341 1.00 0.00 C ATOM 0 HA THR A 37 -13.913 -7.173 2.704 1.00 0.00 H new ATOM 0 HB THR A 37 -13.173 -4.416 1.572 1.00 0.00 H new ATOM 0 HG1 THR A 37 -12.568 -7.011 0.525 1.00 0.00 H new ATOM 0 HG21 THR A 37 -10.830 -5.210 1.688 1.00 0.00 H new ATOM 0 HG22 THR A 37 -11.564 -5.146 3.308 1.00 0.00 H new ATOM 0 HG23 THR A 37 -11.376 -6.709 2.478 1.00 0.00 H new ATOM 608 N THR A 38 -13.452 -6.299 4.973 1.00 0.00 N ATOM 609 CA THR A 38 -13.326 -5.795 6.372 1.00 0.00 C ATOM 610 C THR A 38 -11.911 -6.045 6.899 1.00 0.00 C ATOM 611 O THR A 38 -11.061 -6.545 6.192 1.00 0.00 O ATOM 612 CB THR A 38 -14.347 -6.605 7.175 1.00 0.00 C ATOM 613 OG1 THR A 38 -13.870 -7.933 7.338 1.00 0.00 O ATOM 614 CG2 THR A 38 -15.683 -6.630 6.432 1.00 0.00 C ATOM 0 H THR A 38 -13.154 -7.264 4.830 1.00 0.00 H new ATOM 0 HA THR A 38 -13.506 -4.722 6.443 1.00 0.00 H new ATOM 0 HB THR A 38 -14.488 -6.144 8.153 1.00 0.00 H new ATOM 0 HG1 THR A 38 -14.521 -8.453 7.853 1.00 0.00 H new ATOM 0 HG21 THR A 38 -16.408 -7.207 7.006 1.00 0.00 H new ATOM 0 HG22 THR A 38 -16.049 -5.611 6.306 1.00 0.00 H new ATOM 0 HG23 THR A 38 -15.546 -7.090 5.453 1.00 0.00 H new ATOM 622 N ARG A 39 -11.656 -5.702 8.136 1.00 0.00 N ATOM 623 CA ARG A 39 -10.294 -5.922 8.710 1.00 0.00 C ATOM 624 C ARG A 39 -9.737 -7.266 8.242 1.00 0.00 C ATOM 625 O ARG A 39 -8.918 -7.333 7.348 1.00 0.00 O ATOM 626 CB ARG A 39 -10.500 -5.925 10.226 1.00 0.00 C ATOM 627 CG ARG A 39 -10.022 -4.593 10.810 1.00 0.00 C ATOM 628 CD ARG A 39 -8.598 -4.752 11.349 1.00 0.00 C ATOM 629 NE ARG A 39 -8.009 -3.385 11.289 1.00 0.00 N ATOM 630 CZ ARG A 39 -6.747 -3.207 11.567 1.00 0.00 C ATOM 631 NH1 ARG A 39 -5.839 -3.494 10.675 1.00 0.00 N ATOM 632 NH2 ARG A 39 -6.392 -2.740 12.734 1.00 0.00 N ATOM 0 H ARG A 39 -12.331 -5.279 8.773 1.00 0.00 H new ATOM 0 HA ARG A 39 -9.584 -5.157 8.397 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -11.553 -6.080 10.460 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -9.949 -6.750 10.677 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -10.048 -3.818 10.044 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -10.691 -4.273 11.609 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -8.603 -5.135 12.369 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -8.024 -5.456 10.746 1.00 0.00 H new ATOM 0 HE ARG A 39 -8.592 -2.589 11.031 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -6.117 -3.857 9.763 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -4.851 -3.356 10.890 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -7.102 -2.514 13.430 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -5.405 -2.602 12.949 1.00 0.00 H new ATOM 646 N GLU A 40 -10.181 -8.337 8.831 1.00 0.00 N ATOM 647 CA GLU A 40 -9.683 -9.676 8.411 1.00 0.00 C ATOM 648 C GLU A 40 -9.763 -9.806 6.889 1.00 0.00 C ATOM 649 O GLU A 40 -8.761 -9.884 6.208 1.00 0.00 O ATOM 650 CB GLU A 40 -10.627 -10.674 9.079 1.00 0.00 C ATOM 651 CG GLU A 40 -10.250 -12.094 8.654 1.00 0.00 C ATOM 652 CD GLU A 40 -11.521 -12.914 8.428 1.00 0.00 C ATOM 653 OE1 GLU A 40 -12.218 -13.166 9.396 1.00 0.00 O ATOM 654 OE2 GLU A 40 -11.776 -13.273 7.290 1.00 0.00 O ATOM 0 H GLU A 40 -10.867 -8.345 9.585 1.00 0.00 H new ATOM 0 HA GLU A 40 -8.644 -9.842 8.696 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -10.566 -10.579 10.163 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -11.658 -10.460 8.798 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -9.656 -12.066 7.741 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -9.634 -12.563 9.421 1.00 0.00 H new ATOM 661 N ALA A 41 -10.952 -9.831 6.354 1.00 0.00 N ATOM 662 CA ALA A 41 -11.108 -9.959 4.875 1.00 0.00 C ATOM 663 C ALA A 41 -10.066 -9.105 4.148 1.00 0.00 C ATOM 664 O ALA A 41 -9.475 -9.527 3.174 1.00 0.00 O ATOM 665 CB ALA A 41 -12.517 -9.448 4.580 1.00 0.00 C ATOM 0 H ALA A 41 -11.825 -9.768 6.877 1.00 0.00 H new ATOM 0 HA ALA A 41 -10.964 -10.985 4.536 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -12.710 -9.510 3.509 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -13.245 -10.058 5.115 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -12.603 -8.411 4.905 1.00 0.00 H new ATOM 671 N ALA A 42 -9.836 -7.911 4.615 1.00 0.00 N ATOM 672 CA ALA A 42 -8.829 -7.034 3.949 1.00 0.00 C ATOM 673 C ALA A 42 -7.531 -7.809 3.731 1.00 0.00 C ATOM 674 O ALA A 42 -7.031 -7.909 2.628 1.00 0.00 O ATOM 675 CB ALA A 42 -8.606 -5.870 4.915 1.00 0.00 C ATOM 0 H ALA A 42 -10.299 -7.503 5.427 1.00 0.00 H new ATOM 0 HA ALA A 42 -9.164 -6.685 2.972 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -7.875 -5.181 4.492 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -9.548 -5.346 5.077 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -8.236 -6.252 5.866 1.00 0.00 H new ATOM 681 N VAL A 43 -6.988 -8.368 4.774 1.00 0.00 N ATOM 682 CA VAL A 43 -5.728 -9.148 4.625 1.00 0.00 C ATOM 683 C VAL A 43 -5.946 -10.271 3.607 1.00 0.00 C ATOM 684 O VAL A 43 -5.066 -10.614 2.842 1.00 0.00 O ATOM 685 CB VAL A 43 -5.426 -9.695 6.031 1.00 0.00 C ATOM 686 CG1 VAL A 43 -5.996 -11.109 6.203 1.00 0.00 C ATOM 687 CG2 VAL A 43 -3.913 -9.738 6.239 1.00 0.00 C ATOM 0 H VAL A 43 -7.361 -8.319 5.722 1.00 0.00 H new ATOM 0 HA VAL A 43 -4.893 -8.552 4.257 1.00 0.00 H new ATOM 0 HB VAL A 43 -5.892 -9.039 6.766 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -5.769 -11.473 7.205 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -7.076 -11.085 6.061 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -5.548 -11.774 5.465 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -3.693 -10.125 7.234 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -3.461 -10.387 5.489 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -3.504 -8.732 6.142 1.00 0.00 H new ATOM 697 N GLU A 44 -7.121 -10.834 3.591 1.00 0.00 N ATOM 698 CA GLU A 44 -7.414 -11.923 2.619 1.00 0.00 C ATOM 699 C GLU A 44 -7.431 -11.347 1.206 1.00 0.00 C ATOM 700 O GLU A 44 -6.864 -11.904 0.286 1.00 0.00 O ATOM 701 CB GLU A 44 -8.797 -12.441 3.007 1.00 0.00 C ATOM 702 CG GLU A 44 -8.721 -13.944 3.279 1.00 0.00 C ATOM 703 CD GLU A 44 -8.559 -14.183 4.781 1.00 0.00 C ATOM 704 OE1 GLU A 44 -7.831 -13.429 5.406 1.00 0.00 O ATOM 705 OE2 GLU A 44 -9.167 -15.115 5.281 1.00 0.00 O ATOM 0 H GLU A 44 -7.893 -10.587 4.210 1.00 0.00 H new ATOM 0 HA GLU A 44 -6.669 -12.719 2.639 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -9.157 -11.918 3.893 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -9.510 -12.241 2.207 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -9.624 -14.436 2.917 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -7.881 -14.380 2.738 1.00 0.00 H new ATOM 712 N GLN A 45 -8.069 -10.224 1.032 1.00 0.00 N ATOM 713 CA GLN A 45 -8.114 -9.595 -0.316 1.00 0.00 C ATOM 714 C GLN A 45 -6.692 -9.279 -0.774 1.00 0.00 C ATOM 715 O GLN A 45 -6.352 -9.421 -1.932 1.00 0.00 O ATOM 716 CB GLN A 45 -8.922 -8.309 -0.131 1.00 0.00 C ATOM 717 CG GLN A 45 -9.988 -8.212 -1.224 1.00 0.00 C ATOM 718 CD GLN A 45 -11.157 -9.138 -0.883 1.00 0.00 C ATOM 719 OE1 GLN A 45 -11.692 -9.085 0.206 1.00 0.00 O ATOM 720 NE2 GLN A 45 -11.576 -9.993 -1.775 1.00 0.00 N ATOM 0 H GLN A 45 -8.561 -9.714 1.766 1.00 0.00 H new ATOM 0 HA GLN A 45 -8.563 -10.242 -1.069 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -9.393 -8.301 0.852 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -8.262 -7.443 -0.175 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -10.339 -7.184 -1.314 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -9.561 -8.488 -2.188 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -11.127 -10.037 -2.690 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -12.353 -10.617 -1.558 1.00 0.00 H new ATOM 729 N LEU A 46 -5.854 -8.865 0.135 1.00 0.00 N ATOM 730 CA LEU A 46 -4.445 -8.554 -0.235 1.00 0.00 C ATOM 731 C LEU A 46 -3.661 -9.857 -0.397 1.00 0.00 C ATOM 732 O LEU A 46 -2.808 -9.980 -1.254 1.00 0.00 O ATOM 733 CB LEU A 46 -3.893 -7.735 0.933 1.00 0.00 C ATOM 734 CG LEU A 46 -3.395 -6.383 0.419 1.00 0.00 C ATOM 735 CD1 LEU A 46 -4.582 -5.558 -0.082 1.00 0.00 C ATOM 736 CD2 LEU A 46 -2.696 -5.632 1.556 1.00 0.00 C ATOM 0 H LEU A 46 -6.084 -8.728 1.119 1.00 0.00 H new ATOM 0 HA LEU A 46 -4.370 -8.009 -1.176 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -4.668 -7.587 1.685 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -3.079 -8.275 1.416 1.00 0.00 H new ATOM 0 HG LEU A 46 -2.692 -6.542 -0.399 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -4.227 -4.595 -0.448 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -5.081 -6.092 -0.891 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -5.285 -5.399 0.735 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -2.341 -4.668 1.191 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -3.399 -5.473 2.374 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -1.850 -6.219 1.914 1.00 0.00 H new ATOM 748 N LYS A 47 -3.953 -10.834 0.416 1.00 0.00 N ATOM 749 CA LYS A 47 -3.233 -12.134 0.306 1.00 0.00 C ATOM 750 C LYS A 47 -3.204 -12.579 -1.157 1.00 0.00 C ATOM 751 O LYS A 47 -2.200 -13.046 -1.658 1.00 0.00 O ATOM 752 CB LYS A 47 -4.046 -13.112 1.157 1.00 0.00 C ATOM 753 CG LYS A 47 -3.124 -13.809 2.158 1.00 0.00 C ATOM 754 CD LYS A 47 -3.968 -14.508 3.227 1.00 0.00 C ATOM 755 CE LYS A 47 -4.029 -13.635 4.483 1.00 0.00 C ATOM 756 NZ LYS A 47 -3.348 -14.434 5.539 1.00 0.00 N ATOM 0 H LYS A 47 -4.658 -10.789 1.151 1.00 0.00 H new ATOM 0 HA LYS A 47 -2.199 -12.074 0.645 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -4.837 -12.580 1.685 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -4.530 -13.850 0.518 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -2.494 -14.535 1.644 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -2.458 -13.082 2.623 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -4.974 -14.690 2.849 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -3.537 -15.480 3.468 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -3.528 -12.680 4.325 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -5.060 -13.412 4.759 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -3.349 -13.901 6.432 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -3.851 -15.334 5.672 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -2.367 -14.625 5.251 1.00 0.00 H new ATOM 770 N SER A 48 -4.299 -12.424 -1.846 1.00 0.00 N ATOM 771 CA SER A 48 -4.347 -12.821 -3.283 1.00 0.00 C ATOM 772 C SER A 48 -3.836 -11.673 -4.155 1.00 0.00 C ATOM 773 O SER A 48 -3.250 -11.885 -5.197 1.00 0.00 O ATOM 774 CB SER A 48 -5.821 -13.109 -3.578 1.00 0.00 C ATOM 775 OG SER A 48 -6.602 -12.816 -2.426 1.00 0.00 O ATOM 0 H SER A 48 -5.167 -12.038 -1.475 1.00 0.00 H new ATOM 0 HA SER A 48 -3.722 -13.689 -3.493 1.00 0.00 H new ATOM 0 HB2 SER A 48 -6.158 -12.507 -4.422 1.00 0.00 H new ATOM 0 HB3 SER A 48 -5.949 -14.154 -3.861 1.00 0.00 H new ATOM 0 HG SER A 48 -7.546 -12.999 -2.616 1.00 0.00 H new ATOM 781 N ILE A 49 -4.042 -10.455 -3.732 1.00 0.00 N ATOM 782 CA ILE A 49 -3.551 -9.302 -4.538 1.00 0.00 C ATOM 783 C ILE A 49 -2.021 -9.355 -4.593 1.00 0.00 C ATOM 784 O ILE A 49 -1.419 -9.221 -5.641 1.00 0.00 O ATOM 785 CB ILE A 49 -4.076 -8.049 -3.810 1.00 0.00 C ATOM 786 CG1 ILE A 49 -4.565 -7.032 -4.846 1.00 0.00 C ATOM 787 CG2 ILE A 49 -2.979 -7.408 -2.948 1.00 0.00 C ATOM 788 CD1 ILE A 49 -3.420 -6.673 -5.795 1.00 0.00 C ATOM 0 H ILE A 49 -4.526 -10.210 -2.868 1.00 0.00 H new ATOM 0 HA ILE A 49 -3.898 -9.307 -5.571 1.00 0.00 H new ATOM 0 HB ILE A 49 -4.895 -8.348 -3.156 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -5.401 -7.446 -5.410 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -4.930 -6.135 -4.346 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -3.379 -6.526 -2.447 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -2.637 -8.125 -2.202 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -2.142 -7.116 -3.582 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -3.771 -5.949 -6.531 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -2.597 -6.241 -5.225 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -3.075 -7.572 -6.306 1.00 0.00 H new ATOM 800 N ARG A 50 -1.395 -9.587 -3.474 1.00 0.00 N ATOM 801 CA ARG A 50 0.090 -9.694 -3.463 1.00 0.00 C ATOM 802 C ARG A 50 0.481 -10.922 -4.282 1.00 0.00 C ATOM 803 O ARG A 50 1.429 -10.911 -5.042 1.00 0.00 O ATOM 804 CB ARG A 50 0.465 -9.875 -1.989 1.00 0.00 C ATOM 805 CG ARG A 50 1.847 -10.525 -1.881 1.00 0.00 C ATOM 806 CD ARG A 50 2.169 -10.800 -0.410 1.00 0.00 C ATOM 807 NE ARG A 50 2.146 -12.284 -0.282 1.00 0.00 N ATOM 808 CZ ARG A 50 3.187 -12.918 0.186 1.00 0.00 C ATOM 809 NH1 ARG A 50 4.388 -12.569 -0.187 1.00 0.00 N ATOM 810 NH2 ARG A 50 3.027 -13.902 1.028 1.00 0.00 N ATOM 0 H ARG A 50 -1.847 -9.707 -2.567 1.00 0.00 H new ATOM 0 HA ARG A 50 0.596 -8.828 -3.889 1.00 0.00 H new ATOM 0 HB2 ARG A 50 0.467 -8.909 -1.484 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -0.279 -10.495 -1.489 1.00 0.00 H new ATOM 0 HG2 ARG A 50 1.868 -11.455 -2.449 1.00 0.00 H new ATOM 0 HG3 ARG A 50 2.603 -9.870 -2.313 1.00 0.00 H new ATOM 0 HD2 ARG A 50 3.143 -10.395 -0.137 1.00 0.00 H new ATOM 0 HD3 ARG A 50 1.435 -10.335 0.248 1.00 0.00 H new ATOM 0 HE ARG A 50 1.315 -12.806 -0.561 1.00 0.00 H new ATOM 0 HH11 ARG A 50 4.514 -11.800 -0.845 1.00 0.00 H new ATOM 0 HH12 ARG A 50 5.200 -13.065 0.180 1.00 0.00 H new ATOM 0 HH21 ARG A 50 2.089 -14.176 1.320 1.00 0.00 H new ATOM 0 HH22 ARG A 50 3.840 -14.398 1.394 1.00 0.00 H new ATOM 824 N GLU A 51 -0.275 -11.975 -4.140 1.00 0.00 N ATOM 825 CA GLU A 51 -0.005 -13.218 -4.912 1.00 0.00 C ATOM 826 C GLU A 51 -0.155 -12.916 -6.396 1.00 0.00 C ATOM 827 O GLU A 51 0.733 -13.140 -7.194 1.00 0.00 O ATOM 828 CB GLU A 51 -1.099 -14.182 -4.447 1.00 0.00 C ATOM 829 CG GLU A 51 -1.341 -15.280 -5.490 1.00 0.00 C ATOM 830 CD GLU A 51 -0.011 -15.743 -6.085 1.00 0.00 C ATOM 831 OE1 GLU A 51 0.900 -16.004 -5.318 1.00 0.00 O ATOM 832 OE2 GLU A 51 0.071 -15.831 -7.299 1.00 0.00 O ATOM 0 H GLU A 51 -1.078 -12.027 -3.514 1.00 0.00 H new ATOM 0 HA GLU A 51 0.995 -13.624 -4.759 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -0.812 -14.634 -3.498 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -2.023 -13.632 -4.271 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -1.855 -16.123 -5.029 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -1.991 -14.904 -6.281 1.00 0.00 H new ATOM 839 N ASP A 52 -1.280 -12.396 -6.765 1.00 0.00 N ATOM 840 CA ASP A 52 -1.494 -12.055 -8.196 1.00 0.00 C ATOM 841 C ASP A 52 -0.390 -11.099 -8.643 1.00 0.00 C ATOM 842 O ASP A 52 0.303 -11.346 -9.610 1.00 0.00 O ATOM 843 CB ASP A 52 -2.863 -11.378 -8.257 1.00 0.00 C ATOM 844 CG ASP A 52 -3.793 -12.194 -9.157 1.00 0.00 C ATOM 845 OD1 ASP A 52 -3.467 -13.338 -9.432 1.00 0.00 O ATOM 846 OD2 ASP A 52 -4.816 -11.662 -9.556 1.00 0.00 O ATOM 0 H ASP A 52 -2.062 -12.191 -6.144 1.00 0.00 H new ATOM 0 HA ASP A 52 -1.464 -12.926 -8.850 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -3.286 -11.297 -7.256 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -2.763 -10.364 -8.643 1.00 0.00 H new ATOM 851 N ILE A 53 -0.197 -10.022 -7.928 1.00 0.00 N ATOM 852 CA ILE A 53 0.890 -9.078 -8.303 1.00 0.00 C ATOM 853 C ILE A 53 2.225 -9.816 -8.204 1.00 0.00 C ATOM 854 O ILE A 53 3.192 -9.474 -8.855 1.00 0.00 O ATOM 855 CB ILE A 53 0.814 -7.940 -7.283 1.00 0.00 C ATOM 856 CG1 ILE A 53 -0.364 -7.025 -7.630 1.00 0.00 C ATOM 857 CG2 ILE A 53 2.114 -7.133 -7.320 1.00 0.00 C ATOM 858 CD1 ILE A 53 -0.257 -5.721 -6.836 1.00 0.00 C ATOM 0 H ILE A 53 -0.742 -9.759 -7.107 1.00 0.00 H new ATOM 0 HA ILE A 53 0.794 -8.692 -9.318 1.00 0.00 H new ATOM 0 HB ILE A 53 0.673 -8.355 -6.285 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -0.368 -6.812 -8.699 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -1.305 -7.525 -7.401 1.00 0.00 H new ATOM 0 HG21 ILE A 53 2.060 -6.322 -6.593 1.00 0.00 H new ATOM 0 HG22 ILE A 53 2.953 -7.784 -7.076 1.00 0.00 H new ATOM 0 HG23 ILE A 53 2.256 -6.717 -8.318 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -1.097 -5.073 -7.086 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -0.274 -5.942 -5.769 1.00 0.00 H new ATOM 0 HD13 ILE A 53 0.677 -5.218 -7.087 1.00 0.00 H new ATOM 870 N VAL A 54 2.269 -10.845 -7.398 1.00 0.00 N ATOM 871 CA VAL A 54 3.521 -11.637 -7.256 1.00 0.00 C ATOM 872 C VAL A 54 3.759 -12.438 -8.540 1.00 0.00 C ATOM 873 O VAL A 54 4.771 -12.292 -9.197 1.00 0.00 O ATOM 874 CB VAL A 54 3.270 -12.553 -6.042 1.00 0.00 C ATOM 875 CG1 VAL A 54 3.904 -13.931 -6.256 1.00 0.00 C ATOM 876 CG2 VAL A 54 3.877 -11.914 -4.794 1.00 0.00 C ATOM 0 H VAL A 54 1.486 -11.170 -6.831 1.00 0.00 H new ATOM 0 HA VAL A 54 4.410 -11.025 -7.103 1.00 0.00 H new ATOM 0 HB VAL A 54 2.194 -12.678 -5.920 1.00 0.00 H new ATOM 0 HG11 VAL A 54 3.713 -14.559 -5.386 1.00 0.00 H new ATOM 0 HG12 VAL A 54 3.471 -14.397 -7.141 1.00 0.00 H new ATOM 0 HG13 VAL A 54 4.979 -13.819 -6.394 1.00 0.00 H new ATOM 0 HG21 VAL A 54 3.702 -12.559 -3.933 1.00 0.00 H new ATOM 0 HG22 VAL A 54 4.950 -11.784 -4.937 1.00 0.00 H new ATOM 0 HG23 VAL A 54 3.413 -10.943 -4.620 1.00 0.00 H new ATOM 886 N SER A 55 2.828 -13.273 -8.908 1.00 0.00 N ATOM 887 CA SER A 55 2.997 -14.071 -10.157 1.00 0.00 C ATOM 888 C SER A 55 2.282 -13.379 -11.319 1.00 0.00 C ATOM 889 O SER A 55 1.193 -12.862 -11.172 1.00 0.00 O ATOM 890 CB SER A 55 2.355 -15.425 -9.872 1.00 0.00 C ATOM 891 OG SER A 55 2.037 -15.520 -8.490 1.00 0.00 O ATOM 0 H SER A 55 1.959 -13.438 -8.400 1.00 0.00 H new ATOM 0 HA SER A 55 4.046 -14.175 -10.434 1.00 0.00 H new ATOM 0 HB2 SER A 55 1.453 -15.545 -10.472 1.00 0.00 H new ATOM 0 HB3 SER A 55 3.035 -16.228 -10.155 1.00 0.00 H new ATOM 0 HG SER A 55 1.070 -15.637 -8.384 1.00 0.00 H new ATOM 897 N GLY A 56 2.887 -13.363 -12.471 1.00 0.00 N ATOM 898 CA GLY A 56 2.249 -12.705 -13.638 1.00 0.00 C ATOM 899 C GLY A 56 2.657 -11.238 -13.664 1.00 0.00 C ATOM 900 O GLY A 56 2.257 -10.457 -12.822 1.00 0.00 O ATOM 0 H GLY A 56 3.800 -13.780 -12.654 1.00 0.00 H new ATOM 0 HA2 GLY A 56 2.555 -13.197 -14.561 1.00 0.00 H new ATOM 0 HA3 GLY A 56 1.164 -12.793 -13.574 1.00 0.00 H new ATOM 904 N LYS A 57 3.448 -10.848 -14.622 1.00 0.00 N ATOM 905 CA LYS A 57 3.877 -9.423 -14.699 1.00 0.00 C ATOM 906 C LYS A 57 2.690 -8.537 -15.081 1.00 0.00 C ATOM 907 O LYS A 57 2.753 -7.768 -16.020 1.00 0.00 O ATOM 908 CB LYS A 57 4.945 -9.384 -15.791 1.00 0.00 C ATOM 909 CG LYS A 57 5.605 -8.003 -15.811 1.00 0.00 C ATOM 910 CD LYS A 57 6.960 -8.071 -15.103 1.00 0.00 C ATOM 911 CE LYS A 57 7.395 -6.661 -14.698 1.00 0.00 C ATOM 912 NZ LYS A 57 6.729 -6.415 -13.388 1.00 0.00 N ATOM 0 H LYS A 57 3.817 -11.453 -15.356 1.00 0.00 H new ATOM 0 HA LYS A 57 4.258 -9.056 -13.746 1.00 0.00 H new ATOM 0 HB2 LYS A 57 5.694 -10.154 -15.609 1.00 0.00 H new ATOM 0 HB3 LYS A 57 4.496 -9.598 -16.761 1.00 0.00 H new ATOM 0 HG2 LYS A 57 5.737 -7.667 -16.839 1.00 0.00 H new ATOM 0 HG3 LYS A 57 4.962 -7.274 -15.318 1.00 0.00 H new ATOM 0 HD2 LYS A 57 6.890 -8.709 -14.222 1.00 0.00 H new ATOM 0 HD3 LYS A 57 7.705 -8.518 -15.762 1.00 0.00 H new ATOM 0 HE2 LYS A 57 8.479 -6.592 -14.609 1.00 0.00 H new ATOM 0 HE3 LYS A 57 7.089 -5.925 -15.441 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 6.551 -5.397 -13.275 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 5.826 -6.930 -13.356 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 7.344 -6.747 -12.618 1.00 0.00 H new ATOM 926 N ALA A 58 1.607 -8.638 -14.361 1.00 0.00 N ATOM 927 CA ALA A 58 0.418 -7.805 -14.680 1.00 0.00 C ATOM 928 C ALA A 58 0.785 -6.318 -14.639 1.00 0.00 C ATOM 929 O ALA A 58 1.927 -5.946 -14.820 1.00 0.00 O ATOM 930 CB ALA A 58 -0.582 -8.146 -13.581 1.00 0.00 C ATOM 0 H ALA A 58 1.496 -9.264 -13.563 1.00 0.00 H new ATOM 0 HA ALA A 58 0.021 -7.998 -15.677 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -1.498 -7.576 -13.733 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -0.809 -9.212 -13.613 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -0.155 -7.895 -12.610 1.00 0.00 H new ATOM 936 N ASN A 59 -0.175 -5.465 -14.404 1.00 0.00 N ATOM 937 CA ASN A 59 0.123 -4.005 -14.354 1.00 0.00 C ATOM 938 C ASN A 59 0.248 -3.536 -12.902 1.00 0.00 C ATOM 939 O ASN A 59 0.399 -4.329 -11.993 1.00 0.00 O ATOM 940 CB ASN A 59 -1.070 -3.332 -15.033 1.00 0.00 C ATOM 941 CG ASN A 59 -0.903 -3.403 -16.552 1.00 0.00 C ATOM 942 OD1 ASN A 59 -0.391 -2.485 -17.162 1.00 0.00 O ATOM 943 ND2 ASN A 59 -1.317 -4.461 -17.194 1.00 0.00 N ATOM 0 H ASN A 59 -1.151 -5.715 -14.245 1.00 0.00 H new ATOM 0 HA ASN A 59 1.064 -3.761 -14.847 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -1.996 -3.824 -14.735 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -1.145 -2.293 -14.713 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -1.211 -4.517 -18.207 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -1.747 -5.232 -16.683 1.00 0.00 H new ATOM 950 N PHE A 60 0.188 -2.251 -12.678 1.00 0.00 N ATOM 951 CA PHE A 60 0.305 -1.729 -11.286 1.00 0.00 C ATOM 952 C PHE A 60 0.033 -0.224 -11.264 1.00 0.00 C ATOM 953 O PHE A 60 -0.800 0.257 -10.524 1.00 0.00 O ATOM 954 CB PHE A 60 1.751 -2.023 -10.880 1.00 0.00 C ATOM 955 CG PHE A 60 1.918 -1.815 -9.394 1.00 0.00 C ATOM 956 CD1 PHE A 60 1.617 -2.853 -8.504 1.00 0.00 C ATOM 957 CD2 PHE A 60 2.379 -0.587 -8.907 1.00 0.00 C ATOM 958 CE1 PHE A 60 1.775 -2.662 -7.126 1.00 0.00 C ATOM 959 CE2 PHE A 60 2.537 -0.396 -7.528 1.00 0.00 C ATOM 960 CZ PHE A 60 2.235 -1.433 -6.639 1.00 0.00 C ATOM 0 H PHE A 60 0.063 -1.540 -13.399 1.00 0.00 H new ATOM 0 HA PHE A 60 -0.412 -2.189 -10.606 1.00 0.00 H new ATOM 0 HB2 PHE A 60 2.011 -3.048 -11.144 1.00 0.00 H new ATOM 0 HB3 PHE A 60 2.432 -1.370 -11.427 1.00 0.00 H new ATOM 0 HD1 PHE A 60 1.263 -3.801 -8.880 1.00 0.00 H new ATOM 0 HD2 PHE A 60 2.613 0.213 -9.594 1.00 0.00 H new ATOM 0 HE1 PHE A 60 1.542 -3.462 -6.439 1.00 0.00 H new ATOM 0 HE2 PHE A 60 2.892 0.552 -7.151 1.00 0.00 H new ATOM 0 HZ PHE A 60 2.357 -1.285 -5.576 1.00 0.00 H new ATOM 970 N GLU A 61 0.734 0.520 -12.071 1.00 0.00 N ATOM 971 CA GLU A 61 0.526 1.999 -12.101 1.00 0.00 C ATOM 972 C GLU A 61 -0.972 2.336 -12.112 1.00 0.00 C ATOM 973 O GLU A 61 -1.548 2.646 -11.089 1.00 0.00 O ATOM 974 CB GLU A 61 1.208 2.492 -13.387 1.00 0.00 C ATOM 975 CG GLU A 61 1.072 1.451 -14.505 1.00 0.00 C ATOM 976 CD GLU A 61 0.816 2.161 -15.836 1.00 0.00 C ATOM 977 OE1 GLU A 61 1.781 2.537 -16.480 1.00 0.00 O ATOM 978 OE2 GLU A 61 -0.342 2.316 -16.189 1.00 0.00 O ATOM 0 H GLU A 61 1.444 0.170 -12.714 1.00 0.00 H new ATOM 0 HA GLU A 61 0.947 2.481 -11.218 1.00 0.00 H new ATOM 0 HB2 GLU A 61 0.761 3.434 -13.704 1.00 0.00 H new ATOM 0 HB3 GLU A 61 2.262 2.689 -13.193 1.00 0.00 H new ATOM 0 HG2 GLU A 61 1.980 0.851 -14.570 1.00 0.00 H new ATOM 0 HG3 GLU A 61 0.253 0.767 -14.282 1.00 0.00 H new ATOM 985 N GLU A 62 -1.605 2.284 -13.257 1.00 0.00 N ATOM 986 CA GLU A 62 -3.062 2.608 -13.327 1.00 0.00 C ATOM 987 C GLU A 62 -3.794 2.026 -12.118 1.00 0.00 C ATOM 988 O GLU A 62 -4.652 2.661 -11.537 1.00 0.00 O ATOM 989 CB GLU A 62 -3.551 1.956 -14.621 1.00 0.00 C ATOM 990 CG GLU A 62 -4.870 2.600 -15.052 1.00 0.00 C ATOM 991 CD GLU A 62 -5.805 1.524 -15.605 1.00 0.00 C ATOM 992 OE1 GLU A 62 -5.714 0.397 -15.147 1.00 0.00 O ATOM 993 OE2 GLU A 62 -6.597 1.845 -16.476 1.00 0.00 O ATOM 0 H GLU A 62 -1.175 2.031 -14.147 1.00 0.00 H new ATOM 0 HA GLU A 62 -3.247 3.682 -13.318 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -2.803 2.074 -15.405 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -3.689 0.885 -14.471 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -5.336 3.102 -14.204 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -4.685 3.361 -15.810 1.00 0.00 H new ATOM 1000 N VAL A 63 -3.454 0.831 -11.718 1.00 0.00 N ATOM 1001 CA VAL A 63 -4.127 0.235 -10.531 1.00 0.00 C ATOM 1002 C VAL A 63 -3.772 1.059 -9.297 1.00 0.00 C ATOM 1003 O VAL A 63 -4.605 1.357 -8.464 1.00 0.00 O ATOM 1004 CB VAL A 63 -3.558 -1.177 -10.405 1.00 0.00 C ATOM 1005 CG1 VAL A 63 -4.271 -1.909 -9.268 1.00 0.00 C ATOM 1006 CG2 VAL A 63 -3.777 -1.940 -11.711 1.00 0.00 C ATOM 0 H VAL A 63 -2.744 0.246 -12.159 1.00 0.00 H new ATOM 0 HA VAL A 63 -5.213 0.219 -10.628 1.00 0.00 H new ATOM 0 HB VAL A 63 -2.490 -1.119 -10.195 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -3.868 -2.917 -9.175 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -4.116 -1.369 -8.334 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -5.338 -1.964 -9.483 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -3.370 -2.947 -11.617 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -4.844 -1.999 -11.923 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -3.273 -1.419 -12.525 1.00 0.00 H new ATOM 1016 N ALA A 64 -2.531 1.434 -9.188 1.00 0.00 N ATOM 1017 CA ALA A 64 -2.085 2.249 -8.028 1.00 0.00 C ATOM 1018 C ALA A 64 -2.774 3.610 -8.050 1.00 0.00 C ATOM 1019 O ALA A 64 -2.717 4.365 -7.104 1.00 0.00 O ATOM 1020 CB ALA A 64 -0.590 2.415 -8.239 1.00 0.00 C ATOM 0 H ALA A 64 -1.798 1.208 -9.861 1.00 0.00 H new ATOM 0 HA ALA A 64 -2.323 1.785 -7.071 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -0.171 3.008 -7.426 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -0.114 1.435 -8.256 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -0.410 2.922 -9.187 1.00 0.00 H new ATOM 1026 N THR A 65 -3.416 3.929 -9.133 1.00 0.00 N ATOM 1027 CA THR A 65 -4.115 5.244 -9.226 1.00 0.00 C ATOM 1028 C THR A 65 -5.572 5.096 -8.778 1.00 0.00 C ATOM 1029 O THR A 65 -6.141 5.987 -8.179 1.00 0.00 O ATOM 1030 CB THR A 65 -4.052 5.637 -10.702 1.00 0.00 C ATOM 1031 OG1 THR A 65 -3.302 4.670 -11.425 1.00 0.00 O ATOM 1032 CG2 THR A 65 -3.388 7.008 -10.840 1.00 0.00 C ATOM 0 H THR A 65 -3.490 3.338 -9.961 1.00 0.00 H new ATOM 0 HA THR A 65 -3.653 5.997 -8.588 1.00 0.00 H new ATOM 0 HB THR A 65 -5.064 5.682 -11.105 1.00 0.00 H new ATOM 0 HG1 THR A 65 -2.625 5.122 -11.970 1.00 0.00 H new ATOM 0 HG21 THR A 65 -3.344 7.287 -11.893 1.00 0.00 H new ATOM 0 HG22 THR A 65 -3.969 7.750 -10.292 1.00 0.00 H new ATOM 0 HG23 THR A 65 -2.378 6.966 -10.433 1.00 0.00 H new ATOM 1040 N ARG A 66 -6.179 3.976 -9.066 1.00 0.00 N ATOM 1041 CA ARG A 66 -7.600 3.768 -8.660 1.00 0.00 C ATOM 1042 C ARG A 66 -7.667 3.126 -7.273 1.00 0.00 C ATOM 1043 O ARG A 66 -8.143 3.716 -6.323 1.00 0.00 O ATOM 1044 CB ARG A 66 -8.175 2.820 -9.713 1.00 0.00 C ATOM 1045 CG ARG A 66 -9.640 2.516 -9.385 1.00 0.00 C ATOM 1046 CD ARG A 66 -10.177 1.460 -10.355 1.00 0.00 C ATOM 1047 NE ARG A 66 -11.659 1.530 -10.218 1.00 0.00 N ATOM 1048 CZ ARG A 66 -12.406 0.591 -10.731 1.00 0.00 C ATOM 1049 NH1 ARG A 66 -12.700 -0.467 -10.027 1.00 0.00 N ATOM 1050 NH2 ARG A 66 -12.859 0.711 -11.949 1.00 0.00 N ATOM 0 H ARG A 66 -5.752 3.195 -9.565 1.00 0.00 H new ATOM 0 HA ARG A 66 -8.154 4.705 -8.604 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -8.099 3.270 -10.703 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -7.598 1.896 -9.739 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -9.726 2.159 -8.359 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -10.235 3.426 -9.457 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -9.865 1.669 -11.378 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -9.804 0.467 -10.104 1.00 0.00 H new ATOM 0 HE ARG A 66 -12.089 2.311 -9.724 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -12.346 -0.561 -9.075 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -13.284 -1.201 -10.428 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -12.629 1.538 -12.499 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -13.443 -0.023 -12.351 1.00 0.00 H new ATOM 1064 N VAL A 67 -7.191 1.923 -7.155 1.00 0.00 N ATOM 1065 CA VAL A 67 -7.219 1.228 -5.836 1.00 0.00 C ATOM 1066 C VAL A 67 -6.041 1.684 -4.981 1.00 0.00 C ATOM 1067 O VAL A 67 -5.195 0.898 -4.606 1.00 0.00 O ATOM 1068 CB VAL A 67 -7.090 -0.262 -6.160 1.00 0.00 C ATOM 1069 CG1 VAL A 67 -5.898 -0.487 -7.092 1.00 0.00 C ATOM 1070 CG2 VAL A 67 -6.867 -1.043 -4.864 1.00 0.00 C ATOM 0 H VAL A 67 -6.780 1.385 -7.918 1.00 0.00 H new ATOM 0 HA VAL A 67 -8.130 1.445 -5.278 1.00 0.00 H new ATOM 0 HB VAL A 67 -8.002 -0.605 -6.648 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -5.810 -1.549 -7.320 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -6.048 0.071 -8.016 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -4.985 -0.144 -6.605 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -6.775 -2.105 -5.091 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -5.954 -0.694 -4.381 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -7.713 -0.887 -4.195 1.00 0.00 H new ATOM 1080 N SER A 68 -5.973 2.947 -4.674 1.00 0.00 N ATOM 1081 CA SER A 68 -4.839 3.443 -3.845 1.00 0.00 C ATOM 1082 C SER A 68 -5.288 4.583 -2.934 1.00 0.00 C ATOM 1083 O SER A 68 -6.345 5.154 -3.109 1.00 0.00 O ATOM 1084 CB SER A 68 -3.807 3.940 -4.848 1.00 0.00 C ATOM 1085 OG SER A 68 -2.846 2.918 -5.078 1.00 0.00 O ATOM 0 H SER A 68 -6.649 3.656 -4.959 1.00 0.00 H new ATOM 0 HA SER A 68 -4.442 2.664 -3.194 1.00 0.00 H new ATOM 0 HB2 SER A 68 -4.295 4.214 -5.784 1.00 0.00 H new ATOM 0 HB3 SER A 68 -3.317 4.837 -4.469 1.00 0.00 H new ATOM 0 HG SER A 68 -2.096 3.284 -5.592 1.00 0.00 H new ATOM 1091 N ASP A 69 -4.486 4.923 -1.962 1.00 0.00 N ATOM 1092 CA ASP A 69 -4.867 6.030 -1.049 1.00 0.00 C ATOM 1093 C ASP A 69 -5.333 7.221 -1.873 1.00 0.00 C ATOM 1094 O ASP A 69 -4.720 7.575 -2.858 1.00 0.00 O ATOM 1095 CB ASP A 69 -3.595 6.355 -0.263 1.00 0.00 C ATOM 1096 CG ASP A 69 -3.963 7.105 1.019 1.00 0.00 C ATOM 1097 OD1 ASP A 69 -4.953 7.817 1.002 1.00 0.00 O ATOM 1098 OD2 ASP A 69 -3.248 6.953 1.996 1.00 0.00 O ATOM 0 H ASP A 69 -3.588 4.482 -1.764 1.00 0.00 H new ATOM 0 HA ASP A 69 -5.684 5.769 -0.377 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -3.061 5.436 -0.019 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -2.924 6.961 -0.871 1.00 0.00 H new ATOM 1103 N CYS A 70 -6.423 7.825 -1.484 1.00 0.00 N ATOM 1104 CA CYS A 70 -6.956 8.994 -2.240 1.00 0.00 C ATOM 1105 C CYS A 70 -5.802 9.819 -2.817 1.00 0.00 C ATOM 1106 O CYS A 70 -5.669 9.979 -4.018 1.00 0.00 O ATOM 1107 CB CYS A 70 -7.736 9.784 -1.193 1.00 0.00 C ATOM 1108 SG CYS A 70 -8.064 11.460 -1.799 1.00 0.00 S ATOM 0 H CYS A 70 -6.972 7.556 -0.667 1.00 0.00 H new ATOM 0 HA CYS A 70 -7.579 8.711 -3.088 1.00 0.00 H new ATOM 0 HB2 CYS A 70 -8.676 9.279 -0.970 1.00 0.00 H new ATOM 0 HB3 CYS A 70 -7.169 9.829 -0.263 1.00 0.00 H new ATOM 0 HG CYS A 70 -8.730 12.123 -0.901 1.00 0.00 H new ATOM 1114 N SER A 71 -4.945 10.310 -1.971 1.00 0.00 N ATOM 1115 CA SER A 71 -3.780 11.084 -2.467 1.00 0.00 C ATOM 1116 C SER A 71 -2.954 10.182 -3.376 1.00 0.00 C ATOM 1117 O SER A 71 -2.525 10.570 -4.444 1.00 0.00 O ATOM 1118 CB SER A 71 -2.996 11.443 -1.209 1.00 0.00 C ATOM 1119 OG SER A 71 -2.023 12.431 -1.523 1.00 0.00 O ATOM 0 H SER A 71 -5.001 10.209 -0.958 1.00 0.00 H new ATOM 0 HA SER A 71 -4.054 11.972 -3.036 1.00 0.00 H new ATOM 0 HB2 SER A 71 -3.673 11.815 -0.440 1.00 0.00 H new ATOM 0 HB3 SER A 71 -2.511 10.555 -0.804 1.00 0.00 H new ATOM 0 HG SER A 71 -1.520 12.663 -0.715 1.00 0.00 H new ATOM 1125 N SER A 72 -2.749 8.967 -2.953 1.00 0.00 N ATOM 1126 CA SER A 72 -1.969 8.006 -3.780 1.00 0.00 C ATOM 1127 C SER A 72 -2.662 7.800 -5.124 1.00 0.00 C ATOM 1128 O SER A 72 -2.022 7.714 -6.145 1.00 0.00 O ATOM 1129 CB SER A 72 -1.943 6.704 -2.982 1.00 0.00 C ATOM 1130 OG SER A 72 -1.098 6.863 -1.851 1.00 0.00 O ATOM 0 H SER A 72 -3.090 8.596 -2.066 1.00 0.00 H new ATOM 0 HA SER A 72 -0.961 8.365 -3.987 1.00 0.00 H new ATOM 0 HB2 SER A 72 -2.951 6.440 -2.663 1.00 0.00 H new ATOM 0 HB3 SER A 72 -1.582 5.888 -3.608 1.00 0.00 H new ATOM 0 HG SER A 72 -0.298 6.308 -1.960 1.00 0.00 H new ATOM 1136 N ALA A 73 -3.965 7.743 -5.152 1.00 0.00 N ATOM 1137 CA ALA A 73 -4.644 7.575 -6.469 1.00 0.00 C ATOM 1138 C ALA A 73 -4.041 8.599 -7.425 1.00 0.00 C ATOM 1139 O ALA A 73 -3.794 8.328 -8.584 1.00 0.00 O ATOM 1140 CB ALA A 73 -6.123 7.857 -6.221 1.00 0.00 C ATOM 0 H ALA A 73 -4.579 7.804 -4.339 1.00 0.00 H new ATOM 0 HA ALA A 73 -4.522 6.581 -6.899 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -6.675 7.749 -7.154 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -6.510 7.151 -5.487 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -6.242 8.873 -5.845 1.00 0.00 H new ATOM 1146 N LYS A 74 -3.760 9.769 -6.915 1.00 0.00 N ATOM 1147 CA LYS A 74 -3.119 10.820 -7.750 1.00 0.00 C ATOM 1148 C LYS A 74 -1.648 10.440 -7.946 1.00 0.00 C ATOM 1149 O LYS A 74 -1.044 10.714 -8.964 1.00 0.00 O ATOM 1150 CB LYS A 74 -3.251 12.102 -6.925 1.00 0.00 C ATOM 1151 CG LYS A 74 -3.061 13.320 -7.830 1.00 0.00 C ATOM 1152 CD LYS A 74 -4.407 14.021 -8.029 1.00 0.00 C ATOM 1153 CE LYS A 74 -4.713 14.127 -9.525 1.00 0.00 C ATOM 1154 NZ LYS A 74 -4.545 15.571 -9.850 1.00 0.00 N ATOM 0 H LYS A 74 -3.949 10.041 -5.950 1.00 0.00 H new ATOM 0 HA LYS A 74 -3.568 10.938 -8.736 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -4.231 12.140 -6.449 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -2.508 12.110 -6.127 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -2.342 14.008 -7.385 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -2.653 13.011 -8.793 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -5.197 13.464 -7.524 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -4.381 15.014 -7.581 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -4.034 13.509 -10.112 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -5.725 13.788 -9.746 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -4.738 15.724 -10.860 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -5.209 16.134 -9.281 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -3.570 15.864 -9.636 1.00 0.00 H new ATOM 1168 N ARG A 75 -1.087 9.784 -6.963 1.00 0.00 N ATOM 1169 CA ARG A 75 0.335 9.333 -7.037 1.00 0.00 C ATOM 1170 C ARG A 75 0.379 7.801 -6.951 1.00 0.00 C ATOM 1171 O ARG A 75 1.056 7.234 -6.117 1.00 0.00 O ATOM 1172 CB ARG A 75 1.003 9.950 -5.806 1.00 0.00 C ATOM 1173 CG ARG A 75 1.255 11.436 -6.051 1.00 0.00 C ATOM 1174 CD ARG A 75 2.630 11.820 -5.499 1.00 0.00 C ATOM 1175 NE ARG A 75 2.926 13.150 -6.099 1.00 0.00 N ATOM 1176 CZ ARG A 75 3.395 14.114 -5.355 1.00 0.00 C ATOM 1177 NH1 ARG A 75 4.575 14.004 -4.811 1.00 0.00 N ATOM 1178 NH2 ARG A 75 2.681 15.186 -5.150 1.00 0.00 N ATOM 0 H ARG A 75 -1.564 9.537 -6.096 1.00 0.00 H new ATOM 0 HA ARG A 75 0.830 9.631 -7.962 1.00 0.00 H new ATOM 0 HB2 ARG A 75 0.367 9.818 -4.930 1.00 0.00 H new ATOM 0 HB3 ARG A 75 1.944 9.441 -5.597 1.00 0.00 H new ATOM 0 HG2 ARG A 75 1.207 11.653 -7.118 1.00 0.00 H new ATOM 0 HG3 ARG A 75 0.479 12.031 -5.570 1.00 0.00 H new ATOM 0 HD2 ARG A 75 2.618 11.872 -4.410 1.00 0.00 H new ATOM 0 HD3 ARG A 75 3.386 11.085 -5.775 1.00 0.00 H new ATOM 0 HE ARG A 75 2.762 13.308 -7.093 1.00 0.00 H new ATOM 0 HH11 ARG A 75 5.132 13.164 -4.967 1.00 0.00 H new ATOM 0 HH12 ARG A 75 4.941 14.758 -4.230 1.00 0.00 H new ATOM 0 HH21 ARG A 75 1.756 15.271 -5.571 1.00 0.00 H new ATOM 0 HH22 ARG A 75 3.048 15.939 -4.568 1.00 0.00 H new ATOM 1192 N GLY A 76 -0.360 7.131 -7.796 1.00 0.00 N ATOM 1193 CA GLY A 76 -0.391 5.642 -7.753 1.00 0.00 C ATOM 1194 C GLY A 76 1.016 5.107 -7.955 1.00 0.00 C ATOM 1195 O GLY A 76 1.325 3.982 -7.618 1.00 0.00 O ATOM 0 H GLY A 76 -0.945 7.554 -8.516 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -0.788 5.302 -6.797 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -1.054 5.258 -8.528 1.00 0.00 H new ATOM 1199 N GLY A 77 1.873 5.908 -8.502 1.00 0.00 N ATOM 1200 CA GLY A 77 3.264 5.448 -8.729 1.00 0.00 C ATOM 1201 C GLY A 77 3.916 5.105 -7.388 1.00 0.00 C ATOM 1202 O GLY A 77 3.713 4.036 -6.823 1.00 0.00 O ATOM 0 H GLY A 77 1.673 6.862 -8.803 1.00 0.00 H new ATOM 0 HA2 GLY A 77 3.267 4.574 -9.380 1.00 0.00 H new ATOM 0 HA3 GLY A 77 3.837 6.225 -9.235 1.00 0.00 H new ATOM 1206 N ASP A 78 4.706 5.998 -6.872 1.00 0.00 N ATOM 1207 CA ASP A 78 5.377 5.708 -5.581 1.00 0.00 C ATOM 1208 C ASP A 78 5.512 6.962 -4.719 1.00 0.00 C ATOM 1209 O ASP A 78 5.177 8.057 -5.125 1.00 0.00 O ATOM 1210 CB ASP A 78 6.762 5.190 -5.977 1.00 0.00 C ATOM 1211 CG ASP A 78 7.649 6.360 -6.414 1.00 0.00 C ATOM 1212 OD1 ASP A 78 7.569 6.738 -7.571 1.00 0.00 O ATOM 1213 OD2 ASP A 78 8.395 6.854 -5.584 1.00 0.00 O ATOM 0 H ASP A 78 4.915 6.908 -7.283 1.00 0.00 H new ATOM 0 HA ASP A 78 4.807 4.994 -4.986 1.00 0.00 H new ATOM 0 HB2 ASP A 78 7.220 4.669 -5.136 1.00 0.00 H new ATOM 0 HB3 ASP A 78 6.672 4.468 -6.788 1.00 0.00 H new ATOM 1218 N LEU A 79 6.031 6.797 -3.534 1.00 0.00 N ATOM 1219 CA LEU A 79 6.233 7.961 -2.632 1.00 0.00 C ATOM 1220 C LEU A 79 7.446 8.744 -3.128 1.00 0.00 C ATOM 1221 O LEU A 79 7.370 9.908 -3.462 1.00 0.00 O ATOM 1222 CB LEU A 79 6.532 7.357 -1.253 1.00 0.00 C ATOM 1223 CG LEU A 79 5.273 6.727 -0.647 1.00 0.00 C ATOM 1224 CD1 LEU A 79 4.779 5.581 -1.531 1.00 0.00 C ATOM 1225 CD2 LEU A 79 5.607 6.173 0.740 1.00 0.00 C ATOM 0 H LEU A 79 6.325 5.899 -3.151 1.00 0.00 H new ATOM 0 HA LEU A 79 5.373 8.630 -2.598 1.00 0.00 H new ATOM 0 HB2 LEU A 79 7.313 6.602 -1.344 1.00 0.00 H new ATOM 0 HB3 LEU A 79 6.913 8.132 -0.587 1.00 0.00 H new ATOM 0 HG LEU A 79 4.495 7.487 -0.574 1.00 0.00 H new ATOM 0 HD11 LEU A 79 3.884 5.141 -1.090 1.00 0.00 H new ATOM 0 HD12 LEU A 79 4.544 5.963 -2.524 1.00 0.00 H new ATOM 0 HD13 LEU A 79 5.556 4.821 -1.609 1.00 0.00 H new ATOM 0 HD21 LEU A 79 4.715 5.723 1.177 1.00 0.00 H new ATOM 0 HD22 LEU A 79 6.388 5.418 0.652 1.00 0.00 H new ATOM 0 HD23 LEU A 79 5.956 6.983 1.381 1.00 0.00 H new ATOM 1237 N GLY A 80 8.566 8.083 -3.171 1.00 0.00 N ATOM 1238 CA GLY A 80 9.822 8.718 -3.635 1.00 0.00 C ATOM 1239 C GLY A 80 10.914 8.378 -2.641 1.00 0.00 C ATOM 1240 O GLY A 80 11.609 7.400 -2.787 1.00 0.00 O ATOM 0 H GLY A 80 8.663 7.105 -2.897 1.00 0.00 H new ATOM 0 HA2 GLY A 80 10.086 8.358 -4.629 1.00 0.00 H new ATOM 0 HA3 GLY A 80 9.698 9.798 -3.710 1.00 0.00 H new ATOM 1244 N SER A 81 11.054 9.173 -1.622 1.00 0.00 N ATOM 1245 CA SER A 81 12.104 8.897 -0.606 1.00 0.00 C ATOM 1246 C SER A 81 11.696 9.428 0.770 1.00 0.00 C ATOM 1247 O SER A 81 11.094 10.477 0.895 1.00 0.00 O ATOM 1248 CB SER A 81 13.334 9.634 -1.112 1.00 0.00 C ATOM 1249 OG SER A 81 13.333 10.961 -0.603 1.00 0.00 O ATOM 0 H SER A 81 10.487 10.003 -1.448 1.00 0.00 H new ATOM 0 HA SER A 81 12.276 7.828 -0.483 1.00 0.00 H new ATOM 0 HB2 SER A 81 14.238 9.113 -0.798 1.00 0.00 H new ATOM 0 HB3 SER A 81 13.338 9.651 -2.202 1.00 0.00 H new ATOM 0 HG SER A 81 14.126 11.436 -0.927 1.00 0.00 H new ATOM 1255 N PHE A 82 12.032 8.708 1.804 1.00 0.00 N ATOM 1256 CA PHE A 82 11.685 9.153 3.183 1.00 0.00 C ATOM 1257 C PHE A 82 12.372 8.236 4.200 1.00 0.00 C ATOM 1258 O PHE A 82 11.968 7.112 4.407 1.00 0.00 O ATOM 1259 CB PHE A 82 10.161 9.040 3.272 1.00 0.00 C ATOM 1260 CG PHE A 82 9.718 7.652 2.865 1.00 0.00 C ATOM 1261 CD1 PHE A 82 9.607 7.316 1.509 1.00 0.00 C ATOM 1262 CD2 PHE A 82 9.409 6.703 3.845 1.00 0.00 C ATOM 1263 CE1 PHE A 82 9.189 6.035 1.136 1.00 0.00 C ATOM 1264 CE2 PHE A 82 8.991 5.421 3.470 1.00 0.00 C ATOM 1265 CZ PHE A 82 8.881 5.089 2.115 1.00 0.00 C ATOM 0 H PHE A 82 12.536 7.823 1.752 1.00 0.00 H new ATOM 0 HA PHE A 82 12.014 10.170 3.396 1.00 0.00 H new ATOM 0 HB2 PHE A 82 9.832 9.252 4.289 1.00 0.00 H new ATOM 0 HB3 PHE A 82 9.695 9.783 2.625 1.00 0.00 H new ATOM 0 HD1 PHE A 82 9.845 8.048 0.751 1.00 0.00 H new ATOM 0 HD2 PHE A 82 9.493 6.959 4.891 1.00 0.00 H new ATOM 0 HE1 PHE A 82 9.104 5.778 0.091 1.00 0.00 H new ATOM 0 HE2 PHE A 82 8.753 4.688 4.227 1.00 0.00 H new ATOM 0 HZ PHE A 82 8.557 4.100 1.826 1.00 0.00 H new ATOM 1275 N GLY A 83 13.421 8.698 4.822 1.00 0.00 N ATOM 1276 CA GLY A 83 14.144 7.841 5.804 1.00 0.00 C ATOM 1277 C GLY A 83 13.293 7.629 7.056 1.00 0.00 C ATOM 1278 O GLY A 83 12.385 6.821 7.075 1.00 0.00 O ATOM 0 H GLY A 83 13.809 9.632 4.693 1.00 0.00 H new ATOM 0 HA2 GLY A 83 14.381 6.879 5.351 1.00 0.00 H new ATOM 0 HA3 GLY A 83 15.091 8.308 6.075 1.00 0.00 H new ATOM 1282 N ARG A 84 13.591 8.340 8.107 1.00 0.00 N ATOM 1283 CA ARG A 84 12.811 8.173 9.369 1.00 0.00 C ATOM 1284 C ARG A 84 11.588 9.091 9.354 1.00 0.00 C ATOM 1285 O ARG A 84 10.965 9.329 10.369 1.00 0.00 O ATOM 1286 CB ARG A 84 13.766 8.575 10.500 1.00 0.00 C ATOM 1287 CG ARG A 84 15.191 8.097 10.189 1.00 0.00 C ATOM 1288 CD ARG A 84 15.168 6.625 9.765 1.00 0.00 C ATOM 1289 NE ARG A 84 16.000 5.922 10.781 1.00 0.00 N ATOM 1290 CZ ARG A 84 17.111 5.338 10.424 1.00 0.00 C ATOM 1291 NH1 ARG A 84 17.925 5.936 9.596 1.00 0.00 N ATOM 1292 NH2 ARG A 84 17.409 4.157 10.894 1.00 0.00 N ATOM 0 H ARG A 84 14.341 9.030 8.149 1.00 0.00 H new ATOM 0 HA ARG A 84 12.449 7.152 9.492 1.00 0.00 H new ATOM 0 HB2 ARG A 84 13.757 9.658 10.625 1.00 0.00 H new ATOM 0 HB3 ARG A 84 13.428 8.143 11.442 1.00 0.00 H new ATOM 0 HG2 ARG A 84 15.623 8.706 9.395 1.00 0.00 H new ATOM 0 HG3 ARG A 84 15.825 8.221 11.067 1.00 0.00 H new ATOM 0 HD2 ARG A 84 14.151 6.234 9.748 1.00 0.00 H new ATOM 0 HD3 ARG A 84 15.576 6.496 8.762 1.00 0.00 H new ATOM 0 HE ARG A 84 15.701 5.897 11.756 1.00 0.00 H new ATOM 0 HH11 ARG A 84 17.692 6.859 9.229 1.00 0.00 H new ATOM 0 HH12 ARG A 84 18.794 5.480 9.316 1.00 0.00 H new ATOM 0 HH21 ARG A 84 16.773 3.690 11.541 1.00 0.00 H new ATOM 0 HH22 ARG A 84 18.278 3.701 10.614 1.00 0.00 H new ATOM 1306 N GLY A 85 11.241 9.606 8.207 1.00 0.00 N ATOM 1307 CA GLY A 85 10.058 10.507 8.119 1.00 0.00 C ATOM 1308 C GLY A 85 8.950 9.813 7.326 1.00 0.00 C ATOM 1309 O GLY A 85 9.164 8.784 6.715 1.00 0.00 O ATOM 0 H GLY A 85 11.727 9.441 7.325 1.00 0.00 H new ATOM 0 HA2 GLY A 85 9.703 10.758 9.118 1.00 0.00 H new ATOM 0 HA3 GLY A 85 10.335 11.443 7.635 1.00 0.00 H new ATOM 1313 N GLN A 86 7.767 10.362 7.328 1.00 0.00 N ATOM 1314 CA GLN A 86 6.651 9.722 6.569 1.00 0.00 C ATOM 1315 C GLN A 86 6.478 8.280 7.026 1.00 0.00 C ATOM 1316 O GLN A 86 7.220 7.788 7.854 1.00 0.00 O ATOM 1317 CB GLN A 86 7.085 9.732 5.101 1.00 0.00 C ATOM 1318 CG GLN A 86 7.791 11.042 4.765 1.00 0.00 C ATOM 1319 CD GLN A 86 7.086 11.720 3.589 1.00 0.00 C ATOM 1320 OE1 GLN A 86 7.066 11.197 2.493 1.00 0.00 O ATOM 1321 NE2 GLN A 86 6.502 12.872 3.775 1.00 0.00 N ATOM 0 H GLN A 86 7.523 11.222 7.819 1.00 0.00 H new ATOM 0 HA GLN A 86 5.709 10.248 6.724 1.00 0.00 H new ATOM 0 HB2 GLN A 86 7.752 8.892 4.906 1.00 0.00 H new ATOM 0 HB3 GLN A 86 6.215 9.605 4.457 1.00 0.00 H new ATOM 0 HG2 GLN A 86 7.787 11.701 5.633 1.00 0.00 H new ATOM 0 HG3 GLN A 86 8.834 10.850 4.515 1.00 0.00 H new ATOM 0 HE21 GLN A 86 6.520 13.310 4.696 1.00 0.00 H new ATOM 0 HE22 GLN A 86 6.028 13.335 2.999 1.00 0.00 H new ATOM 1330 N MET A 87 5.522 7.589 6.475 1.00 0.00 N ATOM 1331 CA MET A 87 5.328 6.171 6.862 1.00 0.00 C ATOM 1332 C MET A 87 5.440 6.028 8.381 1.00 0.00 C ATOM 1333 O MET A 87 5.233 6.975 9.115 1.00 0.00 O ATOM 1334 CB MET A 87 6.468 5.445 6.149 1.00 0.00 C ATOM 1335 CG MET A 87 5.928 4.778 4.883 1.00 0.00 C ATOM 1336 SD MET A 87 5.000 5.989 3.907 1.00 0.00 S ATOM 1337 CE MET A 87 6.386 7.089 3.533 1.00 0.00 C ATOM 0 H MET A 87 4.870 7.945 5.776 1.00 0.00 H new ATOM 0 HA MET A 87 4.351 5.772 6.589 1.00 0.00 H new ATOM 0 HB2 MET A 87 7.260 6.149 5.894 1.00 0.00 H new ATOM 0 HB3 MET A 87 6.907 4.697 6.809 1.00 0.00 H new ATOM 0 HG2 MET A 87 6.751 4.374 4.293 1.00 0.00 H new ATOM 0 HG3 MET A 87 5.284 3.939 5.148 1.00 0.00 H new ATOM 0 HE1 MET A 87 6.006 8.036 3.149 1.00 0.00 H new ATOM 0 HE2 MET A 87 6.962 7.271 4.441 1.00 0.00 H new ATOM 0 HE3 MET A 87 7.027 6.625 2.784 1.00 0.00 H new ATOM 1347 N GLN A 88 5.762 4.861 8.866 1.00 0.00 N ATOM 1348 CA GLN A 88 5.878 4.690 10.341 1.00 0.00 C ATOM 1349 C GLN A 88 6.550 3.352 10.684 1.00 0.00 C ATOM 1350 O GLN A 88 7.484 2.931 10.032 1.00 0.00 O ATOM 1351 CB GLN A 88 4.436 4.735 10.850 1.00 0.00 C ATOM 1352 CG GLN A 88 4.405 5.320 12.264 1.00 0.00 C ATOM 1353 CD GLN A 88 3.226 6.289 12.387 1.00 0.00 C ATOM 1354 OE1 GLN A 88 3.294 7.409 11.922 1.00 0.00 O ATOM 1355 NE2 GLN A 88 2.139 5.903 12.998 1.00 0.00 N ATOM 0 H GLN A 88 5.948 4.026 8.311 1.00 0.00 H new ATOM 0 HA GLN A 88 6.496 5.461 10.802 1.00 0.00 H new ATOM 0 HB2 GLN A 88 3.823 5.341 10.182 1.00 0.00 H new ATOM 0 HB3 GLN A 88 4.010 3.732 10.852 1.00 0.00 H new ATOM 0 HG2 GLN A 88 4.311 4.520 12.998 1.00 0.00 H new ATOM 0 HG3 GLN A 88 5.340 5.839 12.476 1.00 0.00 H new ATOM 0 HE21 GLN A 88 2.080 4.963 13.389 1.00 0.00 H new ATOM 0 HE22 GLN A 88 1.348 6.542 13.084 1.00 0.00 H new ATOM 1364 N LYS A 89 6.097 2.693 11.714 1.00 0.00 N ATOM 1365 CA LYS A 89 6.724 1.398 12.116 1.00 0.00 C ATOM 1366 C LYS A 89 6.472 0.284 11.086 1.00 0.00 C ATOM 1367 O LYS A 89 7.390 -0.415 10.709 1.00 0.00 O ATOM 1368 CB LYS A 89 6.068 1.041 13.449 1.00 0.00 C ATOM 1369 CG LYS A 89 7.011 1.409 14.595 1.00 0.00 C ATOM 1370 CD LYS A 89 6.494 0.794 15.897 1.00 0.00 C ATOM 1371 CE LYS A 89 7.313 -0.454 16.234 1.00 0.00 C ATOM 1372 NZ LYS A 89 7.101 -0.672 17.693 1.00 0.00 N ATOM 0 H LYS A 89 5.317 2.995 12.298 1.00 0.00 H new ATOM 0 HA LYS A 89 7.807 1.495 12.187 1.00 0.00 H new ATOM 0 HB2 LYS A 89 5.123 1.574 13.556 1.00 0.00 H new ATOM 0 HB3 LYS A 89 5.839 -0.024 13.480 1.00 0.00 H new ATOM 0 HG2 LYS A 89 8.017 1.047 14.383 1.00 0.00 H new ATOM 0 HG3 LYS A 89 7.077 2.493 14.693 1.00 0.00 H new ATOM 0 HD2 LYS A 89 6.566 1.519 16.708 1.00 0.00 H new ATOM 0 HD3 LYS A 89 5.440 0.534 15.795 1.00 0.00 H new ATOM 0 HE2 LYS A 89 6.979 -1.314 15.654 1.00 0.00 H new ATOM 0 HE3 LYS A 89 8.369 -0.307 16.006 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 7.632 -1.512 17.999 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 7.435 0.160 18.220 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 6.088 -0.816 17.879 1.00 0.00 H new ATOM 1386 N PRO A 90 5.237 0.128 10.684 1.00 0.00 N ATOM 1387 CA PRO A 90 4.887 -0.946 9.717 1.00 0.00 C ATOM 1388 C PRO A 90 5.488 -0.695 8.326 1.00 0.00 C ATOM 1389 O PRO A 90 6.500 -1.269 7.975 1.00 0.00 O ATOM 1390 CB PRO A 90 3.362 -0.911 9.680 1.00 0.00 C ATOM 1391 CG PRO A 90 2.998 0.472 10.107 1.00 0.00 C ATOM 1392 CD PRO A 90 4.062 0.917 11.074 1.00 0.00 C ATOM 0 HA PRO A 90 5.285 -1.916 10.015 1.00 0.00 H new ATOM 0 HB2 PRO A 90 2.986 -1.127 8.680 1.00 0.00 H new ATOM 0 HB3 PRO A 90 2.934 -1.657 10.350 1.00 0.00 H new ATOM 0 HG2 PRO A 90 2.949 1.142 9.249 1.00 0.00 H new ATOM 0 HG3 PRO A 90 2.015 0.486 10.579 1.00 0.00 H new ATOM 0 HD2 PRO A 90 4.254 1.987 10.994 1.00 0.00 H new ATOM 0 HD3 PRO A 90 3.772 0.721 12.106 1.00 0.00 H new ATOM 1400 N PHE A 91 4.867 0.122 7.515 1.00 0.00 N ATOM 1401 CA PHE A 91 5.414 0.348 6.141 1.00 0.00 C ATOM 1402 C PHE A 91 6.932 0.493 6.155 1.00 0.00 C ATOM 1403 O PHE A 91 7.639 -0.295 5.568 1.00 0.00 O ATOM 1404 CB PHE A 91 4.784 1.640 5.617 1.00 0.00 C ATOM 1405 CG PHE A 91 5.251 1.852 4.189 1.00 0.00 C ATOM 1406 CD1 PHE A 91 6.607 2.102 3.915 1.00 0.00 C ATOM 1407 CD2 PHE A 91 4.337 1.762 3.131 1.00 0.00 C ATOM 1408 CE1 PHE A 91 7.041 2.259 2.605 1.00 0.00 C ATOM 1409 CE2 PHE A 91 4.777 1.929 1.810 1.00 0.00 C ATOM 1410 CZ PHE A 91 6.130 2.177 1.549 1.00 0.00 C ATOM 0 H PHE A 91 4.016 0.637 7.739 1.00 0.00 H new ATOM 0 HA PHE A 91 5.178 -0.507 5.507 1.00 0.00 H new ATOM 0 HB2 PHE A 91 3.697 1.575 5.655 1.00 0.00 H new ATOM 0 HB3 PHE A 91 5.075 2.485 6.241 1.00 0.00 H new ATOM 0 HD1 PHE A 91 7.315 2.172 4.727 1.00 0.00 H new ATOM 0 HD2 PHE A 91 3.295 1.564 3.333 1.00 0.00 H new ATOM 0 HE1 PHE A 91 8.085 2.445 2.402 1.00 0.00 H new ATOM 0 HE2 PHE A 91 4.072 1.866 0.994 1.00 0.00 H new ATOM 0 HZ PHE A 91 6.469 2.305 0.532 1.00 0.00 H new ATOM 1420 N GLU A 92 7.439 1.520 6.774 1.00 0.00 N ATOM 1421 CA GLU A 92 8.916 1.728 6.772 1.00 0.00 C ATOM 1422 C GLU A 92 9.639 0.398 6.992 1.00 0.00 C ATOM 1423 O GLU A 92 10.426 -0.033 6.174 1.00 0.00 O ATOM 1424 CB GLU A 92 9.191 2.700 7.921 1.00 0.00 C ATOM 1425 CG GLU A 92 10.307 3.666 7.518 1.00 0.00 C ATOM 1426 CD GLU A 92 10.291 4.881 8.449 1.00 0.00 C ATOM 1427 OE1 GLU A 92 9.209 5.308 8.814 1.00 0.00 O ATOM 1428 OE2 GLU A 92 11.362 5.364 8.779 1.00 0.00 O ATOM 0 H GLU A 92 6.900 2.223 7.280 1.00 0.00 H new ATOM 0 HA GLU A 92 9.274 2.124 5.822 1.00 0.00 H new ATOM 0 HB2 GLU A 92 8.286 3.256 8.166 1.00 0.00 H new ATOM 0 HB3 GLU A 92 9.479 2.149 8.816 1.00 0.00 H new ATOM 0 HG2 GLU A 92 11.274 3.165 7.573 1.00 0.00 H new ATOM 0 HG3 GLU A 92 10.171 3.985 6.484 1.00 0.00 H new ATOM 1435 N GLU A 93 9.369 -0.264 8.079 1.00 0.00 N ATOM 1436 CA GLU A 93 10.036 -1.573 8.331 1.00 0.00 C ATOM 1437 C GLU A 93 9.785 -2.508 7.145 1.00 0.00 C ATOM 1438 O GLU A 93 10.507 -3.461 6.924 1.00 0.00 O ATOM 1439 CB GLU A 93 9.384 -2.116 9.607 1.00 0.00 C ATOM 1440 CG GLU A 93 9.735 -3.595 9.776 1.00 0.00 C ATOM 1441 CD GLU A 93 11.199 -3.728 10.197 1.00 0.00 C ATOM 1442 OE1 GLU A 93 11.459 -3.684 11.389 1.00 0.00 O ATOM 1443 OE2 GLU A 93 12.037 -3.871 9.322 1.00 0.00 O ATOM 0 H GLU A 93 8.718 0.041 8.803 1.00 0.00 H new ATOM 0 HA GLU A 93 11.116 -1.482 8.447 1.00 0.00 H new ATOM 0 HB2 GLU A 93 9.728 -1.549 10.472 1.00 0.00 H new ATOM 0 HB3 GLU A 93 8.302 -1.993 9.555 1.00 0.00 H new ATOM 0 HG2 GLU A 93 9.087 -4.050 10.526 1.00 0.00 H new ATOM 0 HG3 GLU A 93 9.565 -4.129 8.841 1.00 0.00 H new ATOM 1450 N ALA A 94 8.771 -2.225 6.375 1.00 0.00 N ATOM 1451 CA ALA A 94 8.463 -3.072 5.187 1.00 0.00 C ATOM 1452 C ALA A 94 9.463 -2.784 4.071 1.00 0.00 C ATOM 1453 O ALA A 94 10.151 -3.663 3.592 1.00 0.00 O ATOM 1454 CB ALA A 94 7.059 -2.647 4.752 1.00 0.00 C ATOM 0 H ALA A 94 8.138 -1.438 6.518 1.00 0.00 H new ATOM 0 HA ALA A 94 8.520 -4.137 5.412 1.00 0.00 H new ATOM 0 HB1 ALA A 94 6.758 -3.226 3.879 1.00 0.00 H new ATOM 0 HB2 ALA A 94 6.356 -2.825 5.566 1.00 0.00 H new ATOM 0 HB3 ALA A 94 7.062 -1.586 4.500 1.00 0.00 H new ATOM 1460 N THR A 95 9.548 -1.553 3.659 1.00 0.00 N ATOM 1461 CA THR A 95 10.503 -1.199 2.577 1.00 0.00 C ATOM 1462 C THR A 95 11.930 -1.363 3.094 1.00 0.00 C ATOM 1463 O THR A 95 12.851 -1.625 2.345 1.00 0.00 O ATOM 1464 CB THR A 95 10.209 0.265 2.242 1.00 0.00 C ATOM 1465 OG1 THR A 95 8.811 0.432 2.046 1.00 0.00 O ATOM 1466 CG2 THR A 95 10.956 0.656 0.966 1.00 0.00 C ATOM 0 H THR A 95 8.997 -0.776 4.025 1.00 0.00 H new ATOM 0 HA THR A 95 10.399 -1.833 1.697 1.00 0.00 H new ATOM 0 HB THR A 95 10.539 0.901 3.063 1.00 0.00 H new ATOM 0 HG1 THR A 95 8.428 0.909 2.811 1.00 0.00 H new ATOM 0 HG21 THR A 95 10.747 1.699 0.727 1.00 0.00 H new ATOM 0 HG22 THR A 95 12.028 0.526 1.118 1.00 0.00 H new ATOM 0 HG23 THR A 95 10.627 0.022 0.143 1.00 0.00 H new ATOM 1474 N TYR A 96 12.114 -1.227 4.378 1.00 0.00 N ATOM 1475 CA TYR A 96 13.473 -1.391 4.958 1.00 0.00 C ATOM 1476 C TYR A 96 13.780 -2.881 5.113 1.00 0.00 C ATOM 1477 O TYR A 96 14.921 -3.290 5.206 1.00 0.00 O ATOM 1478 CB TYR A 96 13.395 -0.725 6.331 1.00 0.00 C ATOM 1479 CG TYR A 96 13.890 0.699 6.246 1.00 0.00 C ATOM 1480 CD1 TYR A 96 15.252 0.961 6.052 1.00 0.00 C ATOM 1481 CD2 TYR A 96 12.985 1.760 6.370 1.00 0.00 C ATOM 1482 CE1 TYR A 96 15.707 2.285 5.980 1.00 0.00 C ATOM 1483 CE2 TYR A 96 13.439 3.082 6.299 1.00 0.00 C ATOM 1484 CZ TYR A 96 14.800 3.345 6.104 1.00 0.00 C ATOM 1485 OH TYR A 96 15.248 4.649 6.036 1.00 0.00 O ATOM 0 H TYR A 96 11.379 -1.009 5.051 1.00 0.00 H new ATOM 0 HA TYR A 96 14.254 -0.954 4.335 1.00 0.00 H new ATOM 0 HB2 TYR A 96 12.367 -0.740 6.693 1.00 0.00 H new ATOM 0 HB3 TYR A 96 13.994 -1.284 7.050 1.00 0.00 H new ATOM 0 HD1 TYR A 96 15.951 0.143 5.958 1.00 0.00 H new ATOM 0 HD2 TYR A 96 11.935 1.558 6.521 1.00 0.00 H new ATOM 0 HE1 TYR A 96 16.757 2.488 5.829 1.00 0.00 H new ATOM 0 HE2 TYR A 96 12.739 3.899 6.395 1.00 0.00 H new ATOM 0 HH TYR A 96 16.039 4.694 5.459 1.00 0.00 H new ATOM 1495 N ALA A 97 12.757 -3.690 5.157 1.00 0.00 N ATOM 1496 CA ALA A 97 12.959 -5.158 5.325 1.00 0.00 C ATOM 1497 C ALA A 97 12.966 -5.882 3.973 1.00 0.00 C ATOM 1498 O ALA A 97 13.765 -6.770 3.743 1.00 0.00 O ATOM 1499 CB ALA A 97 11.764 -5.616 6.159 1.00 0.00 C ATOM 0 H ALA A 97 11.783 -3.395 5.083 1.00 0.00 H new ATOM 0 HA ALA A 97 13.917 -5.381 5.795 1.00 0.00 H new ATOM 0 HB1 ALA A 97 11.831 -6.690 6.332 1.00 0.00 H new ATOM 0 HB2 ALA A 97 11.766 -5.094 7.116 1.00 0.00 H new ATOM 0 HB3 ALA A 97 10.840 -5.392 5.625 1.00 0.00 H new ATOM 1505 N LEU A 98 12.077 -5.530 3.081 1.00 0.00 N ATOM 1506 CA LEU A 98 12.041 -6.227 1.761 1.00 0.00 C ATOM 1507 C LEU A 98 12.884 -5.480 0.725 1.00 0.00 C ATOM 1508 O LEU A 98 13.505 -4.477 1.016 1.00 0.00 O ATOM 1509 CB LEU A 98 10.568 -6.230 1.351 1.00 0.00 C ATOM 1510 CG LEU A 98 10.312 -7.387 0.386 1.00 0.00 C ATOM 1511 CD1 LEU A 98 9.110 -8.198 0.869 1.00 0.00 C ATOM 1512 CD2 LEU A 98 10.019 -6.829 -1.008 1.00 0.00 C ATOM 0 H LEU A 98 11.380 -4.796 3.207 1.00 0.00 H new ATOM 0 HA LEU A 98 12.452 -7.235 1.826 1.00 0.00 H new ATOM 0 HB2 LEU A 98 9.934 -6.330 2.232 1.00 0.00 H new ATOM 0 HB3 LEU A 98 10.309 -5.283 0.878 1.00 0.00 H new ATOM 0 HG LEU A 98 11.192 -8.029 0.347 1.00 0.00 H new ATOM 0 HD11 LEU A 98 8.928 -9.023 0.181 1.00 0.00 H new ATOM 0 HD12 LEU A 98 9.314 -8.594 1.864 1.00 0.00 H new ATOM 0 HD13 LEU A 98 8.230 -7.556 0.907 1.00 0.00 H new ATOM 0 HD21 LEU A 98 9.836 -7.652 -1.698 1.00 0.00 H new ATOM 0 HD22 LEU A 98 9.138 -6.188 -0.966 1.00 0.00 H new ATOM 0 HD23 LEU A 98 10.874 -6.248 -1.354 1.00 0.00 H new ATOM 1524 N LYS A 99 12.909 -5.972 -0.484 1.00 0.00 N ATOM 1525 CA LYS A 99 13.708 -5.308 -1.554 1.00 0.00 C ATOM 1526 C LYS A 99 13.281 -5.840 -2.926 1.00 0.00 C ATOM 1527 O LYS A 99 14.032 -6.516 -3.601 1.00 0.00 O ATOM 1528 CB LYS A 99 15.165 -5.683 -1.261 1.00 0.00 C ATOM 1529 CG LYS A 99 15.251 -7.152 -0.834 1.00 0.00 C ATOM 1530 CD LYS A 99 16.544 -7.766 -1.375 1.00 0.00 C ATOM 1531 CE LYS A 99 16.223 -9.078 -2.095 1.00 0.00 C ATOM 1532 NZ LYS A 99 15.883 -8.678 -3.489 1.00 0.00 N ATOM 0 H LYS A 99 12.407 -6.810 -0.778 1.00 0.00 H new ATOM 0 HA LYS A 99 13.566 -4.227 -1.568 1.00 0.00 H new ATOM 0 HB2 LYS A 99 15.777 -5.517 -2.147 1.00 0.00 H new ATOM 0 HB3 LYS A 99 15.563 -5.043 -0.474 1.00 0.00 H new ATOM 0 HG2 LYS A 99 15.227 -7.228 0.253 1.00 0.00 H new ATOM 0 HG3 LYS A 99 14.389 -7.702 -1.211 1.00 0.00 H new ATOM 0 HD2 LYS A 99 17.030 -7.072 -2.061 1.00 0.00 H new ATOM 0 HD3 LYS A 99 17.242 -7.948 -0.558 1.00 0.00 H new ATOM 0 HE2 LYS A 99 17.075 -9.758 -2.076 1.00 0.00 H new ATOM 0 HE3 LYS A 99 15.391 -9.596 -1.619 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 15.458 -9.485 -3.988 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 15.206 -7.889 -3.468 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 16.747 -8.380 -3.985 1.00 0.00 H new ATOM 1546 N VAL A 100 12.077 -5.546 -3.339 1.00 0.00 N ATOM 1547 CA VAL A 100 11.594 -6.039 -4.663 1.00 0.00 C ATOM 1548 C VAL A 100 11.611 -7.570 -4.693 1.00 0.00 C ATOM 1549 O VAL A 100 12.585 -8.196 -4.326 1.00 0.00 O ATOM 1550 CB VAL A 100 12.573 -5.467 -5.690 1.00 0.00 C ATOM 1551 CG1 VAL A 100 12.072 -5.777 -7.102 1.00 0.00 C ATOM 1552 CG2 VAL A 100 12.670 -3.951 -5.508 1.00 0.00 C ATOM 0 H VAL A 100 11.405 -4.984 -2.816 1.00 0.00 H new ATOM 0 HA VAL A 100 10.570 -5.728 -4.869 1.00 0.00 H new ATOM 0 HB VAL A 100 13.555 -5.917 -5.546 1.00 0.00 H new ATOM 0 HG11 VAL A 100 12.770 -5.369 -7.833 1.00 0.00 H new ATOM 0 HG12 VAL A 100 11.999 -6.857 -7.233 1.00 0.00 H new ATOM 0 HG13 VAL A 100 11.090 -5.326 -7.247 1.00 0.00 H new ATOM 0 HG21 VAL A 100 13.367 -3.541 -6.239 1.00 0.00 H new ATOM 0 HG22 VAL A 100 11.687 -3.503 -5.653 1.00 0.00 H new ATOM 0 HG23 VAL A 100 13.025 -3.727 -4.502 1.00 0.00 H new ATOM 1562 N GLY A 101 10.537 -8.176 -5.120 1.00 0.00 N ATOM 1563 CA GLY A 101 10.488 -9.665 -5.168 1.00 0.00 C ATOM 1564 C GLY A 101 9.261 -10.159 -4.400 1.00 0.00 C ATOM 1565 O GLY A 101 8.275 -10.568 -4.979 1.00 0.00 O ATOM 0 H GLY A 101 9.691 -7.704 -5.438 1.00 0.00 H new ATOM 0 HA2 GLY A 101 10.444 -10.005 -6.203 1.00 0.00 H new ATOM 0 HA3 GLY A 101 11.396 -10.084 -4.733 1.00 0.00 H new ATOM 1569 N ASP A 102 9.315 -10.119 -3.100 1.00 0.00 N ATOM 1570 CA ASP A 102 8.153 -10.581 -2.288 1.00 0.00 C ATOM 1571 C ASP A 102 7.019 -9.554 -2.360 1.00 0.00 C ATOM 1572 O ASP A 102 5.864 -9.873 -2.160 1.00 0.00 O ATOM 1573 CB ASP A 102 8.686 -10.688 -0.859 1.00 0.00 C ATOM 1574 CG ASP A 102 9.116 -12.129 -0.582 1.00 0.00 C ATOM 1575 OD1 ASP A 102 9.045 -12.934 -1.496 1.00 0.00 O ATOM 1576 OD2 ASP A 102 9.510 -12.404 0.540 1.00 0.00 O ATOM 0 H ASP A 102 10.115 -9.786 -2.562 1.00 0.00 H new ATOM 0 HA ASP A 102 7.750 -11.529 -2.645 1.00 0.00 H new ATOM 0 HB2 ASP A 102 9.531 -10.013 -0.723 1.00 0.00 H new ATOM 0 HB3 ASP A 102 7.917 -10.384 -0.149 1.00 0.00 H new ATOM 1581 N ILE A 103 7.347 -8.322 -2.640 1.00 0.00 N ATOM 1582 CA ILE A 103 6.300 -7.262 -2.723 1.00 0.00 C ATOM 1583 C ILE A 103 5.663 -7.044 -1.348 1.00 0.00 C ATOM 1584 O ILE A 103 4.466 -6.877 -1.223 1.00 0.00 O ATOM 1585 CB ILE A 103 5.269 -7.783 -3.726 1.00 0.00 C ATOM 1586 CG1 ILE A 103 5.994 -8.356 -4.947 1.00 0.00 C ATOM 1587 CG2 ILE A 103 4.360 -6.630 -4.162 1.00 0.00 C ATOM 1588 CD1 ILE A 103 4.972 -8.739 -6.020 1.00 0.00 C ATOM 0 H ILE A 103 8.299 -8.002 -2.816 1.00 0.00 H new ATOM 0 HA ILE A 103 6.710 -6.302 -3.038 1.00 0.00 H new ATOM 0 HB ILE A 103 4.667 -8.565 -3.263 1.00 0.00 H new ATOM 0 HG12 ILE A 103 6.695 -7.621 -5.344 1.00 0.00 H new ATOM 0 HG13 ILE A 103 6.578 -9.230 -4.658 1.00 0.00 H new ATOM 0 HG21 ILE A 103 3.624 -6.997 -4.877 1.00 0.00 H new ATOM 0 HG22 ILE A 103 3.848 -6.221 -3.291 1.00 0.00 H new ATOM 0 HG23 ILE A 103 4.961 -5.849 -4.629 1.00 0.00 H new ATOM 0 HD11 ILE A 103 5.491 -9.146 -6.888 1.00 0.00 H new ATOM 0 HD12 ILE A 103 4.289 -9.489 -5.621 1.00 0.00 H new ATOM 0 HD13 ILE A 103 4.408 -7.855 -6.317 1.00 0.00 H new ATOM 1600 N SER A 104 6.462 -7.035 -0.316 1.00 0.00 N ATOM 1601 CA SER A 104 5.917 -6.818 1.055 1.00 0.00 C ATOM 1602 C SER A 104 4.923 -7.925 1.429 1.00 0.00 C ATOM 1603 O SER A 104 4.224 -8.456 0.591 1.00 0.00 O ATOM 1604 CB SER A 104 5.206 -5.468 0.982 1.00 0.00 C ATOM 1605 OG SER A 104 3.927 -5.579 1.588 1.00 0.00 O ATOM 0 H SER A 104 7.472 -7.169 -0.363 1.00 0.00 H new ATOM 0 HA SER A 104 6.700 -6.835 1.813 1.00 0.00 H new ATOM 0 HB2 SER A 104 5.797 -4.705 1.489 1.00 0.00 H new ATOM 0 HB3 SER A 104 5.103 -5.154 -0.057 1.00 0.00 H new ATOM 0 HG SER A 104 3.249 -5.730 0.896 1.00 0.00 H new ATOM 1611 N ASP A 105 4.851 -8.264 2.688 1.00 0.00 N ATOM 1612 CA ASP A 105 3.896 -9.323 3.126 1.00 0.00 C ATOM 1613 C ASP A 105 2.624 -8.678 3.687 1.00 0.00 C ATOM 1614 O ASP A 105 2.397 -8.667 4.881 1.00 0.00 O ATOM 1615 CB ASP A 105 4.634 -10.095 4.219 1.00 0.00 C ATOM 1616 CG ASP A 105 5.544 -11.143 3.576 1.00 0.00 C ATOM 1617 OD1 ASP A 105 5.801 -11.027 2.389 1.00 0.00 O ATOM 1618 OD2 ASP A 105 5.967 -12.043 4.282 1.00 0.00 O ATOM 0 H ASP A 105 5.413 -7.853 3.433 1.00 0.00 H new ATOM 0 HA ASP A 105 3.591 -9.974 2.307 1.00 0.00 H new ATOM 0 HB2 ASP A 105 5.224 -9.410 4.828 1.00 0.00 H new ATOM 0 HB3 ASP A 105 3.919 -10.578 4.885 1.00 0.00 H new ATOM 1623 N ILE A 106 1.799 -8.133 2.833 1.00 0.00 N ATOM 1624 CA ILE A 106 0.543 -7.479 3.309 1.00 0.00 C ATOM 1625 C ILE A 106 0.872 -6.255 4.174 1.00 0.00 C ATOM 1626 O ILE A 106 1.335 -6.378 5.290 1.00 0.00 O ATOM 1627 CB ILE A 106 -0.185 -8.541 4.138 1.00 0.00 C ATOM 1628 CG1 ILE A 106 -0.181 -9.878 3.387 1.00 0.00 C ATOM 1629 CG2 ILE A 106 -1.629 -8.094 4.375 1.00 0.00 C ATOM 1630 CD1 ILE A 106 -1.198 -10.831 4.025 1.00 0.00 C ATOM 0 H ILE A 106 1.940 -8.112 1.823 1.00 0.00 H new ATOM 0 HA ILE A 106 -0.069 -7.127 2.479 1.00 0.00 H new ATOM 0 HB ILE A 106 0.323 -8.665 5.094 1.00 0.00 H new ATOM 0 HG12 ILE A 106 -0.427 -9.717 2.337 1.00 0.00 H new ATOM 0 HG13 ILE A 106 0.815 -10.320 3.417 1.00 0.00 H new ATOM 0 HG21 ILE A 106 -2.151 -8.847 4.965 1.00 0.00 H new ATOM 0 HG22 ILE A 106 -1.633 -7.146 4.912 1.00 0.00 H new ATOM 0 HG23 ILE A 106 -2.133 -7.970 3.417 1.00 0.00 H new ATOM 0 HD11 ILE A 106 -1.193 -11.780 3.489 1.00 0.00 H new ATOM 0 HD12 ILE A 106 -0.932 -11.002 5.068 1.00 0.00 H new ATOM 0 HD13 ILE A 106 -2.193 -10.390 3.972 1.00 0.00 H new ATOM 1642 N VAL A 107 0.633 -5.075 3.666 1.00 0.00 N ATOM 1643 CA VAL A 107 0.927 -3.842 4.458 1.00 0.00 C ATOM 1644 C VAL A 107 -0.378 -3.237 4.987 1.00 0.00 C ATOM 1645 O VAL A 107 -0.979 -2.392 4.354 1.00 0.00 O ATOM 1646 CB VAL A 107 1.597 -2.883 3.470 1.00 0.00 C ATOM 1647 CG1 VAL A 107 2.302 -1.763 4.236 1.00 0.00 C ATOM 1648 CG2 VAL A 107 2.628 -3.645 2.638 1.00 0.00 C ATOM 0 H VAL A 107 0.247 -4.910 2.736 1.00 0.00 H new ATOM 0 HA VAL A 107 1.562 -4.046 5.320 1.00 0.00 H new ATOM 0 HB VAL A 107 0.837 -2.456 2.815 1.00 0.00 H new ATOM 0 HG11 VAL A 107 2.778 -1.083 3.530 1.00 0.00 H new ATOM 0 HG12 VAL A 107 1.573 -1.215 4.833 1.00 0.00 H new ATOM 0 HG13 VAL A 107 3.059 -2.192 4.893 1.00 0.00 H new ATOM 0 HG21 VAL A 107 3.105 -2.962 1.935 1.00 0.00 H new ATOM 0 HG22 VAL A 107 3.383 -4.073 3.297 1.00 0.00 H new ATOM 0 HG23 VAL A 107 2.132 -4.445 2.088 1.00 0.00 H new ATOM 1658 N ASP A 108 -0.825 -3.662 6.138 1.00 0.00 N ATOM 1659 CA ASP A 108 -2.095 -3.103 6.690 1.00 0.00 C ATOM 1660 C ASP A 108 -1.790 -2.055 7.766 1.00 0.00 C ATOM 1661 O ASP A 108 -1.501 -2.382 8.899 1.00 0.00 O ATOM 1662 CB ASP A 108 -2.850 -4.293 7.297 1.00 0.00 C ATOM 1663 CG ASP A 108 -2.627 -5.548 6.446 1.00 0.00 C ATOM 1664 OD1 ASP A 108 -1.515 -6.050 6.447 1.00 0.00 O ATOM 1665 OD2 ASP A 108 -3.571 -5.983 5.809 1.00 0.00 O ATOM 0 H ASP A 108 -0.370 -4.367 6.718 1.00 0.00 H new ATOM 0 HA ASP A 108 -2.686 -2.609 5.919 1.00 0.00 H new ATOM 0 HB2 ASP A 108 -2.507 -4.470 8.316 1.00 0.00 H new ATOM 0 HB3 ASP A 108 -3.915 -4.067 7.354 1.00 0.00 H new ATOM 1670 N THR A 109 -1.852 -0.797 7.420 1.00 0.00 N ATOM 1671 CA THR A 109 -1.567 0.267 8.425 1.00 0.00 C ATOM 1672 C THR A 109 -1.820 1.652 7.825 1.00 0.00 C ATOM 1673 O THR A 109 -2.357 1.784 6.743 1.00 0.00 O ATOM 1674 CB THR A 109 -0.086 0.103 8.776 1.00 0.00 C ATOM 1675 OG1 THR A 109 0.329 1.196 9.584 1.00 0.00 O ATOM 1676 CG2 THR A 109 0.749 0.072 7.497 1.00 0.00 C ATOM 0 H THR A 109 -2.087 -0.461 6.486 1.00 0.00 H new ATOM 0 HA THR A 109 -2.208 0.179 9.302 1.00 0.00 H new ATOM 0 HB THR A 109 0.055 -0.831 9.320 1.00 0.00 H new ATOM 0 HG1 THR A 109 0.019 1.059 10.503 1.00 0.00 H new ATOM 0 HG21 THR A 109 1.802 -0.045 7.753 1.00 0.00 H new ATOM 0 HG22 THR A 109 0.431 -0.765 6.875 1.00 0.00 H new ATOM 0 HG23 THR A 109 0.610 1.004 6.949 1.00 0.00 H new ATOM 1684 N ASP A 110 -1.431 2.683 8.521 1.00 0.00 N ATOM 1685 CA ASP A 110 -1.642 4.062 7.996 1.00 0.00 C ATOM 1686 C ASP A 110 -3.105 4.259 7.581 1.00 0.00 C ATOM 1687 O ASP A 110 -3.947 4.597 8.390 1.00 0.00 O ATOM 1688 CB ASP A 110 -0.713 4.164 6.787 1.00 0.00 C ATOM 1689 CG ASP A 110 0.731 4.308 7.269 1.00 0.00 C ATOM 1690 OD1 ASP A 110 0.921 4.493 8.460 1.00 0.00 O ATOM 1691 OD2 ASP A 110 1.622 4.229 6.440 1.00 0.00 O ATOM 0 H ASP A 110 -0.975 2.631 9.432 1.00 0.00 H new ATOM 0 HA ASP A 110 -1.427 4.828 8.741 1.00 0.00 H new ATOM 0 HB2 ASP A 110 -0.813 3.277 6.162 1.00 0.00 H new ATOM 0 HB3 ASP A 110 -0.990 5.020 6.172 1.00 0.00 H new ATOM 1696 N SER A 111 -3.417 4.052 6.330 1.00 0.00 N ATOM 1697 CA SER A 111 -4.827 4.232 5.876 1.00 0.00 C ATOM 1698 C SER A 111 -5.598 2.919 6.014 1.00 0.00 C ATOM 1699 O SER A 111 -6.691 2.880 6.543 1.00 0.00 O ATOM 1700 CB SER A 111 -4.726 4.641 4.407 1.00 0.00 C ATOM 1701 OG SER A 111 -5.521 5.799 4.187 1.00 0.00 O ATOM 0 H SER A 111 -2.759 3.767 5.604 1.00 0.00 H new ATOM 0 HA SER A 111 -5.357 4.977 6.469 1.00 0.00 H new ATOM 0 HB2 SER A 111 -3.688 4.843 4.144 1.00 0.00 H new ATOM 0 HB3 SER A 111 -5.064 3.826 3.767 1.00 0.00 H new ATOM 0 HG SER A 111 -5.457 6.066 3.246 1.00 0.00 H new ATOM 1707 N GLY A 112 -5.035 1.846 5.541 1.00 0.00 N ATOM 1708 CA GLY A 112 -5.730 0.531 5.640 1.00 0.00 C ATOM 1709 C GLY A 112 -4.775 -0.583 5.213 1.00 0.00 C ATOM 1710 O GLY A 112 -3.939 -1.021 5.976 1.00 0.00 O ATOM 0 H GLY A 112 -4.121 1.820 5.088 1.00 0.00 H new ATOM 0 HA2 GLY A 112 -6.068 0.363 6.662 1.00 0.00 H new ATOM 0 HA3 GLY A 112 -6.617 0.527 5.006 1.00 0.00 H new ATOM 1714 N VAL A 113 -4.892 -1.040 3.997 1.00 0.00 N ATOM 1715 CA VAL A 113 -3.990 -2.126 3.507 1.00 0.00 C ATOM 1716 C VAL A 113 -3.302 -1.690 2.213 1.00 0.00 C ATOM 1717 O VAL A 113 -3.936 -1.227 1.286 1.00 0.00 O ATOM 1718 CB VAL A 113 -4.894 -3.342 3.264 1.00 0.00 C ATOM 1719 CG1 VAL A 113 -5.096 -4.104 4.574 1.00 0.00 C ATOM 1720 CG2 VAL A 113 -6.254 -2.884 2.744 1.00 0.00 C ATOM 0 H VAL A 113 -5.576 -0.708 3.317 1.00 0.00 H new ATOM 0 HA VAL A 113 -3.203 -2.359 4.224 1.00 0.00 H new ATOM 0 HB VAL A 113 -4.420 -3.991 2.527 1.00 0.00 H new ATOM 0 HG11 VAL A 113 -5.738 -4.967 4.398 1.00 0.00 H new ATOM 0 HG12 VAL A 113 -4.131 -4.441 4.951 1.00 0.00 H new ATOM 0 HG13 VAL A 113 -5.563 -3.448 5.308 1.00 0.00 H new ATOM 0 HG21 VAL A 113 -6.890 -3.753 2.574 1.00 0.00 H new ATOM 0 HG22 VAL A 113 -6.723 -2.229 3.479 1.00 0.00 H new ATOM 0 HG23 VAL A 113 -6.122 -2.342 1.807 1.00 0.00 H new ATOM 1730 N HIS A 114 -2.005 -1.822 2.153 1.00 0.00 N ATOM 1731 CA HIS A 114 -1.267 -1.403 0.928 1.00 0.00 C ATOM 1732 C HIS A 114 -0.309 -2.508 0.465 1.00 0.00 C ATOM 1733 O HIS A 114 -0.234 -3.573 1.045 1.00 0.00 O ATOM 1734 CB HIS A 114 -0.448 -0.181 1.353 1.00 0.00 C ATOM 1735 CG HIS A 114 -1.302 0.803 2.103 1.00 0.00 C ATOM 1736 ND1 HIS A 114 -1.355 2.143 1.755 1.00 0.00 N ATOM 1737 CD2 HIS A 114 -2.108 0.670 3.206 1.00 0.00 C ATOM 1738 CE1 HIS A 114 -2.162 2.760 2.634 1.00 0.00 C ATOM 1739 NE2 HIS A 114 -2.651 1.908 3.540 1.00 0.00 N ATOM 0 H HIS A 114 -1.424 -2.202 2.900 1.00 0.00 H new ATOM 0 HA HIS A 114 -1.951 -1.193 0.106 1.00 0.00 H new ATOM 0 HB2 HIS A 114 0.386 -0.497 1.980 1.00 0.00 H new ATOM 0 HB3 HIS A 114 -0.020 0.299 0.473 1.00 0.00 H new ATOM 0 HD1 HIS A 114 -0.869 2.582 0.973 1.00 0.00 H new ATOM 0 HD2 HIS A 114 -2.293 -0.254 3.734 1.00 0.00 H new ATOM 0 HE1 HIS A 114 -2.388 3.816 2.611 1.00 0.00 H new ATOM 1747 N ILE A 115 0.445 -2.230 -0.562 1.00 0.00 N ATOM 1748 CA ILE A 115 1.444 -3.211 -1.079 1.00 0.00 C ATOM 1749 C ILE A 115 2.594 -2.421 -1.711 1.00 0.00 C ATOM 1750 O ILE A 115 2.418 -1.737 -2.701 1.00 0.00 O ATOM 1751 CB ILE A 115 0.709 -4.052 -2.124 1.00 0.00 C ATOM 1752 CG1 ILE A 115 -0.130 -3.136 -3.010 1.00 0.00 C ATOM 1753 CG2 ILE A 115 -0.200 -5.062 -1.421 1.00 0.00 C ATOM 1754 CD1 ILE A 115 -0.649 -3.924 -4.214 1.00 0.00 C ATOM 0 H ILE A 115 0.411 -1.349 -1.075 1.00 0.00 H new ATOM 0 HA ILE A 115 1.857 -3.856 -0.303 1.00 0.00 H new ATOM 0 HB ILE A 115 1.434 -4.587 -2.738 1.00 0.00 H new ATOM 0 HG12 ILE A 115 -0.966 -2.728 -2.441 1.00 0.00 H new ATOM 0 HG13 ILE A 115 0.469 -2.290 -3.347 1.00 0.00 H new ATOM 0 HG21 ILE A 115 -0.723 -5.661 -2.166 1.00 0.00 H new ATOM 0 HG22 ILE A 115 0.402 -5.715 -0.789 1.00 0.00 H new ATOM 0 HG23 ILE A 115 -0.927 -4.531 -0.806 1.00 0.00 H new ATOM 0 HD11 ILE A 115 -1.248 -3.269 -4.847 1.00 0.00 H new ATOM 0 HD12 ILE A 115 0.194 -4.310 -4.787 1.00 0.00 H new ATOM 0 HD13 ILE A 115 -1.263 -4.755 -3.868 1.00 0.00 H new ATOM 1766 N ILE A 116 3.754 -2.469 -1.117 1.00 0.00 N ATOM 1767 CA ILE A 116 4.907 -1.679 -1.645 1.00 0.00 C ATOM 1768 C ILE A 116 5.534 -2.322 -2.890 1.00 0.00 C ATOM 1769 O ILE A 116 5.267 -3.456 -3.236 1.00 0.00 O ATOM 1770 CB ILE A 116 5.903 -1.641 -0.478 1.00 0.00 C ATOM 1771 CG1 ILE A 116 5.605 -0.423 0.392 1.00 0.00 C ATOM 1772 CG2 ILE A 116 7.345 -1.544 -0.994 1.00 0.00 C ATOM 1773 CD1 ILE A 116 5.005 -0.884 1.720 1.00 0.00 C ATOM 0 H ILE A 116 3.956 -3.023 -0.285 1.00 0.00 H new ATOM 0 HA ILE A 116 4.599 -0.685 -1.971 1.00 0.00 H new ATOM 0 HB ILE A 116 5.798 -2.559 0.100 1.00 0.00 H new ATOM 0 HG12 ILE A 116 6.519 0.143 0.570 1.00 0.00 H new ATOM 0 HG13 ILE A 116 4.912 0.244 -0.121 1.00 0.00 H new ATOM 0 HG21 ILE A 116 8.033 -1.518 -0.149 1.00 0.00 H new ATOM 0 HG22 ILE A 116 7.568 -2.410 -1.617 1.00 0.00 H new ATOM 0 HG23 ILE A 116 7.460 -0.634 -1.583 1.00 0.00 H new ATOM 0 HD11 ILE A 116 4.791 -0.016 2.344 1.00 0.00 H new ATOM 0 HD12 ILE A 116 4.082 -1.432 1.531 1.00 0.00 H new ATOM 0 HD13 ILE A 116 5.714 -1.534 2.233 1.00 0.00 H new ATOM 1785 N LYS A 117 6.380 -1.575 -3.549 1.00 0.00 N ATOM 1786 CA LYS A 117 7.072 -2.070 -4.772 1.00 0.00 C ATOM 1787 C LYS A 117 8.130 -1.042 -5.189 1.00 0.00 C ATOM 1788 O LYS A 117 7.810 0.067 -5.570 1.00 0.00 O ATOM 1789 CB LYS A 117 5.980 -2.178 -5.838 1.00 0.00 C ATOM 1790 CG LYS A 117 6.005 -3.577 -6.459 1.00 0.00 C ATOM 1791 CD LYS A 117 4.702 -3.817 -7.226 1.00 0.00 C ATOM 1792 CE LYS A 117 5.022 -4.301 -8.643 1.00 0.00 C ATOM 1793 NZ LYS A 117 3.996 -5.341 -8.932 1.00 0.00 N ATOM 0 H LYS A 117 6.625 -0.621 -3.283 1.00 0.00 H new ATOM 0 HA LYS A 117 7.573 -3.026 -4.620 1.00 0.00 H new ATOM 0 HB2 LYS A 117 5.004 -1.984 -5.394 1.00 0.00 H new ATOM 0 HB3 LYS A 117 6.135 -1.424 -6.610 1.00 0.00 H new ATOM 0 HG2 LYS A 117 6.858 -3.673 -7.131 1.00 0.00 H new ATOM 0 HG3 LYS A 117 6.125 -4.330 -5.680 1.00 0.00 H new ATOM 0 HD2 LYS A 117 4.094 -4.557 -6.707 1.00 0.00 H new ATOM 0 HD3 LYS A 117 4.118 -2.897 -7.268 1.00 0.00 H new ATOM 0 HE2 LYS A 117 4.969 -3.483 -9.362 1.00 0.00 H new ATOM 0 HE3 LYS A 117 6.030 -4.713 -8.702 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 3.945 -5.503 -9.958 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 4.256 -6.227 -8.454 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 3.069 -5.020 -8.586 1.00 0.00 H new ATOM 1807 N ARG A 118 9.385 -1.384 -5.102 1.00 0.00 N ATOM 1808 CA ARG A 118 10.446 -0.403 -5.478 1.00 0.00 C ATOM 1809 C ARG A 118 10.943 -0.659 -6.907 1.00 0.00 C ATOM 1810 O ARG A 118 10.310 -0.271 -7.869 1.00 0.00 O ATOM 1811 CB ARG A 118 11.567 -0.623 -4.460 1.00 0.00 C ATOM 1812 CG ARG A 118 12.758 0.271 -4.811 1.00 0.00 C ATOM 1813 CD ARG A 118 13.333 0.884 -3.533 1.00 0.00 C ATOM 1814 NE ARG A 118 14.803 0.669 -3.635 1.00 0.00 N ATOM 1815 CZ ARG A 118 15.376 -0.267 -2.929 1.00 0.00 C ATOM 1816 NH1 ARG A 118 14.676 -1.281 -2.500 1.00 0.00 N ATOM 1817 NH2 ARG A 118 16.649 -0.187 -2.652 1.00 0.00 N ATOM 0 H ARG A 118 9.723 -2.294 -4.789 1.00 0.00 H new ATOM 0 HA ARG A 118 10.079 0.623 -5.463 1.00 0.00 H new ATOM 0 HB2 ARG A 118 11.211 -0.394 -3.456 1.00 0.00 H new ATOM 0 HB3 ARG A 118 11.872 -1.669 -4.459 1.00 0.00 H new ATOM 0 HG2 ARG A 118 13.524 -0.311 -5.324 1.00 0.00 H new ATOM 0 HG3 ARG A 118 12.445 1.059 -5.496 1.00 0.00 H new ATOM 0 HD2 ARG A 118 13.093 1.945 -3.460 1.00 0.00 H new ATOM 0 HD3 ARG A 118 12.924 0.403 -2.645 1.00 0.00 H new ATOM 0 HE ARG A 118 15.362 1.253 -4.257 1.00 0.00 H new ATOM 0 HH11 ARG A 118 13.681 -1.342 -2.716 1.00 0.00 H new ATOM 0 HH12 ARG A 118 15.124 -2.013 -1.948 1.00 0.00 H new ATOM 0 HH21 ARG A 118 17.195 0.607 -2.987 1.00 0.00 H new ATOM 0 HH22 ARG A 118 17.098 -0.918 -2.100 1.00 0.00 H new ATOM 1831 N THR A 119 12.073 -1.299 -7.060 1.00 0.00 N ATOM 1832 CA THR A 119 12.599 -1.561 -8.431 1.00 0.00 C ATOM 1833 C THR A 119 11.649 -2.489 -9.197 1.00 0.00 C ATOM 1834 O THR A 119 10.699 -2.046 -9.813 1.00 0.00 O ATOM 1835 CB THR A 119 13.958 -2.231 -8.210 1.00 0.00 C ATOM 1836 OG1 THR A 119 14.833 -1.320 -7.558 1.00 0.00 O ATOM 1837 CG2 THR A 119 14.557 -2.641 -9.557 1.00 0.00 C ATOM 0 H THR A 119 12.652 -1.650 -6.297 1.00 0.00 H new ATOM 0 HA THR A 119 12.688 -0.650 -9.023 1.00 0.00 H new ATOM 0 HB THR A 119 13.827 -3.118 -7.590 1.00 0.00 H new ATOM 0 HG1 THR A 119 15.703 -1.748 -7.414 1.00 0.00 H new ATOM 0 HG21 THR A 119 15.524 -3.117 -9.395 1.00 0.00 H new ATOM 0 HG22 THR A 119 13.886 -3.341 -10.055 1.00 0.00 H new ATOM 0 HG23 THR A 119 14.688 -1.757 -10.181 1.00 0.00 H new ATOM 1845 N ALA A 120 11.895 -3.772 -9.164 1.00 0.00 N ATOM 1846 CA ALA A 120 11.004 -4.724 -9.892 1.00 0.00 C ATOM 1847 C ALA A 120 11.152 -4.540 -11.405 1.00 0.00 C ATOM 1848 O ALA A 120 10.631 -5.367 -12.136 1.00 0.00 O ATOM 1849 CB ALA A 120 9.584 -4.366 -9.449 1.00 0.00 C ATOM 1850 OXT ALA A 120 11.784 -3.577 -11.806 1.00 0.00 O ATOM 0 H ALA A 120 12.674 -4.202 -8.665 1.00 0.00 H new ATOM 0 HA ALA A 120 11.250 -5.763 -9.671 1.00 0.00 H new ATOM 0 HB1 ALA A 120 8.871 -5.025 -9.944 1.00 0.00 H new ATOM 0 HB2 ALA A 120 9.499 -4.485 -8.369 1.00 0.00 H new ATOM 0 HB3 ALA A 120 9.369 -3.332 -9.718 1.00 0.00 H new