USER MOD reduce.3.24.130724 H: found=0, std=0, add=525, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 526 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 Single : A 48 ASN : amide:sc= -0.317 X(o=-0.32,f=-0.012) USER MOD Single : B1053 MET CE :methyl -133:sc= -1.92 (180deg=-6.22!) USER MOD Single : B1054 THR OG1 : rot 101:sc= -0.739 USER MOD Single : B1057 GLN : amide:sc= -0.255 X(o=-0.26,f=-0.26) USER MOD Single : B1058 MET CE :methyl 151:sc= -1.44 (180deg=-3.38) USER MOD Single : B1060 LYS NZ :NH3+ -162:sc= -0.0371 (180deg=-0.462) USER MOD Single : B1062 MET CE :methyl -117:sc= -2.82 (180deg=-11.5!) USER MOD Single : B1063 SER OG : rot 75:sc= 0.159 USER MOD Single : B1087 SER OG : rot 180:sc= 0 USER MOD Single : B1088 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B1090 LYS NZ :NH3+ -168:sc=-0.00453 (180deg=-0.183) USER MOD Single : B1091 TYR OH : rot -15:sc= -0.799 USER MOD Single : B1097 THR OG1 : rot -149:sc= 0.891 USER MOD Single : B1099 ASN : amide:sc= 1.15 K(o=1.1,f=-0.0082) USER MOD Single : B1100 THR OG1 : rot -40:sc= 0.113 USER MOD Single : B1101 SER OG : rot 23:sc= -1.23 USER MOD Single : B1102 CYS SG : rot 51:sc= 0.295 USER MOD Single : B1110 CYS SG : rot 77:sc= -0.0413 USER MOD Single : B1115 HIS : no HD1:sc= -0.136 X(o=-0.14,f=0) USER MOD Single : B1119 LYS NZ :NH3+ 154:sc= -0.0115 (180deg=-1.09) USER MOD Single : B1121 TYR OH : rot -53:sc= -0.628 USER MOD Single : B1122 HIS : no HD1:sc= -0.293 X(o=-0.29,f=-0.016) USER MOD Single : B1125 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B1126 SER OG : rot 74:sc= 0.733 USER MOD ----------------------------------------------------------------- ATOM 61 N MET B1053 -1.447 -8.252 12.392 1.00 0.00 N ATOM 62 CA MET B1053 -2.821 -8.674 12.159 1.00 0.00 C ATOM 63 C MET B1053 -2.925 -9.420 10.834 1.00 0.00 C ATOM 64 O MET B1053 -2.063 -9.279 9.961 1.00 0.00 O ATOM 65 CB MET B1053 -3.734 -7.452 12.121 1.00 0.00 C ATOM 66 CG MET B1053 -3.196 -6.368 13.058 1.00 0.00 C ATOM 67 SD MET B1053 -4.411 -5.031 13.186 1.00 0.00 S ATOM 68 CE MET B1053 -4.396 -4.541 11.441 1.00 0.00 C ATOM 0 HA MET B1053 -3.126 -9.337 12.969 1.00 0.00 H new ATOM 0 HB2 MET B1053 -3.797 -7.066 11.103 1.00 0.00 H new ATOM 0 HB3 MET B1053 -4.744 -7.733 12.419 1.00 0.00 H new ATOM 0 HG2 MET B1053 -2.996 -6.789 14.043 1.00 0.00 H new ATOM 0 HG3 MET B1053 -2.250 -5.980 12.679 1.00 0.00 H new ATOM 0 HE1 MET B1053 -4.315 -3.456 11.368 1.00 0.00 H new ATOM 0 HE2 MET B1053 -3.545 -5.003 10.941 1.00 0.00 H new ATOM 0 HE3 MET B1053 -5.319 -4.868 10.963 1.00 0.00 H new ATOM 78 N THR B1054 -3.978 -10.213 10.691 1.00 0.00 N ATOM 79 CA THR B1054 -4.181 -10.982 9.471 1.00 0.00 C ATOM 80 C THR B1054 -4.509 -10.055 8.303 1.00 0.00 C ATOM 81 O THR B1054 -4.900 -8.909 8.501 1.00 0.00 O ATOM 82 CB THR B1054 -5.322 -11.983 9.671 1.00 0.00 C ATOM 83 OG1 THR B1054 -6.543 -11.280 9.846 1.00 0.00 O ATOM 84 CG2 THR B1054 -5.043 -12.841 10.901 1.00 0.00 C ATOM 0 H THR B1054 -4.701 -10.340 11.400 1.00 0.00 H new ATOM 0 HA THR B1054 -3.262 -11.521 9.243 1.00 0.00 H new ATOM 0 HB THR B1054 -5.397 -12.627 8.794 1.00 0.00 H new ATOM 0 HG1 THR B1054 -7.049 -11.289 9.007 1.00 0.00 H new ATOM 0 HG21 THR B1054 -5.857 -13.552 11.041 1.00 0.00 H new ATOM 0 HG22 THR B1054 -4.107 -13.383 10.762 1.00 0.00 H new ATOM 0 HG23 THR B1054 -4.965 -12.202 11.780 1.00 0.00 H new ATOM 92 N PRO B1055 -4.348 -10.528 7.090 1.00 0.00 N ATOM 93 CA PRO B1055 -4.631 -9.715 5.868 1.00 0.00 C ATOM 94 C PRO B1055 -6.035 -9.113 5.895 1.00 0.00 C ATOM 95 O PRO B1055 -6.233 -7.956 5.522 1.00 0.00 O ATOM 96 CB PRO B1055 -4.499 -10.734 4.730 1.00 0.00 C ATOM 97 CG PRO B1055 -3.596 -11.795 5.261 1.00 0.00 C ATOM 98 CD PRO B1055 -3.882 -11.885 6.745 1.00 0.00 C ATOM 0 HA PRO B1055 -3.958 -8.863 5.771 1.00 0.00 H new ATOM 0 HB2 PRO B1055 -5.470 -11.145 4.454 1.00 0.00 H new ATOM 0 HB3 PRO B1055 -4.082 -10.273 3.835 1.00 0.00 H new ATOM 0 HG2 PRO B1055 -3.784 -12.749 4.769 1.00 0.00 H new ATOM 0 HG3 PRO B1055 -2.551 -11.544 5.080 1.00 0.00 H new ATOM 0 HD2 PRO B1055 -4.640 -12.637 6.963 1.00 0.00 H new ATOM 0 HD3 PRO B1055 -2.991 -12.159 7.309 1.00 0.00 H new ATOM 106 N GLU B1056 -7.002 -9.902 6.349 1.00 0.00 N ATOM 107 CA GLU B1056 -8.380 -9.430 6.428 1.00 0.00 C ATOM 108 C GLU B1056 -8.505 -8.323 7.466 1.00 0.00 C ATOM 109 O GLU B1056 -9.179 -7.322 7.241 1.00 0.00 O ATOM 110 CB GLU B1056 -9.311 -10.587 6.798 1.00 0.00 C ATOM 111 CG GLU B1056 -9.420 -11.554 5.617 1.00 0.00 C ATOM 112 CD GLU B1056 -10.172 -12.812 6.040 1.00 0.00 C ATOM 113 OE1 GLU B1056 -10.326 -13.013 7.235 1.00 0.00 O ATOM 114 OE2 GLU B1056 -10.584 -13.556 5.166 1.00 0.00 O ATOM 0 H GLU B1056 -6.861 -10.861 6.665 1.00 0.00 H new ATOM 0 HA GLU B1056 -8.665 -9.035 5.453 1.00 0.00 H new ATOM 0 HB2 GLU B1056 -8.928 -11.109 7.675 1.00 0.00 H new ATOM 0 HB3 GLU B1056 -10.297 -10.204 7.060 1.00 0.00 H new ATOM 0 HG2 GLU B1056 -9.939 -11.072 4.788 1.00 0.00 H new ATOM 0 HG3 GLU B1056 -8.425 -11.818 5.260 1.00 0.00 H new ATOM 121 N GLN B1057 -7.837 -8.506 8.601 1.00 0.00 N ATOM 122 CA GLN B1057 -7.879 -7.509 9.665 1.00 0.00 C ATOM 123 C GLN B1057 -7.229 -6.206 9.208 1.00 0.00 C ATOM 124 O GLN B1057 -7.721 -5.118 9.511 1.00 0.00 O ATOM 125 CB GLN B1057 -7.154 -8.040 10.902 1.00 0.00 C ATOM 126 CG GLN B1057 -7.968 -9.179 11.514 1.00 0.00 C ATOM 127 CD GLN B1057 -9.295 -8.656 12.049 1.00 0.00 C ATOM 128 OE1 GLN B1057 -10.361 -9.078 11.599 1.00 0.00 O ATOM 129 NE2 GLN B1057 -9.292 -7.758 12.994 1.00 0.00 N ATOM 0 H GLN B1057 -7.266 -9.326 8.806 1.00 0.00 H new ATOM 0 HA GLN B1057 -8.922 -7.310 9.912 1.00 0.00 H new ATOM 0 HB2 GLN B1057 -6.159 -8.393 10.631 1.00 0.00 H new ATOM 0 HB3 GLN B1057 -7.021 -7.240 11.631 1.00 0.00 H new ATOM 0 HG2 GLN B1057 -8.149 -9.949 10.764 1.00 0.00 H new ATOM 0 HG3 GLN B1057 -7.402 -9.646 12.320 1.00 0.00 H new ATOM 0 HE21 GLN B1057 -8.407 -7.411 13.365 1.00 0.00 H new ATOM 0 HE22 GLN B1057 -10.174 -7.403 13.363 1.00 0.00 H new ATOM 138 N MET B1058 -6.121 -6.320 8.475 1.00 0.00 N ATOM 139 CA MET B1058 -5.422 -5.144 7.990 1.00 0.00 C ATOM 140 C MET B1058 -6.321 -4.356 7.047 1.00 0.00 C ATOM 141 O MET B1058 -6.363 -3.124 7.090 1.00 0.00 O ATOM 142 CB MET B1058 -4.158 -5.586 7.255 1.00 0.00 C ATOM 143 CG MET B1058 -3.156 -6.156 8.260 1.00 0.00 C ATOM 144 SD MET B1058 -2.301 -7.581 7.541 1.00 0.00 S ATOM 145 CE MET B1058 -1.883 -6.824 5.958 1.00 0.00 C ATOM 0 H MET B1058 -5.696 -7.209 8.209 1.00 0.00 H new ATOM 0 HA MET B1058 -5.154 -4.505 8.831 1.00 0.00 H new ATOM 0 HB2 MET B1058 -4.405 -6.338 6.505 1.00 0.00 H new ATOM 0 HB3 MET B1058 -3.718 -4.741 6.726 1.00 0.00 H new ATOM 0 HG2 MET B1058 -2.432 -5.390 8.539 1.00 0.00 H new ATOM 0 HG3 MET B1058 -3.673 -6.454 9.172 1.00 0.00 H new ATOM 0 HE1 MET B1058 -0.967 -7.271 5.572 1.00 0.00 H new ATOM 0 HE2 MET B1058 -2.695 -6.990 5.250 1.00 0.00 H new ATOM 0 HE3 MET B1058 -1.734 -5.753 6.095 1.00 0.00 H new ATOM 155 N ALA B1059 -7.044 -5.077 6.195 1.00 0.00 N ATOM 156 CA ALA B1059 -7.941 -4.428 5.244 1.00 0.00 C ATOM 157 C ALA B1059 -9.053 -3.686 5.977 1.00 0.00 C ATOM 158 O ALA B1059 -9.432 -2.576 5.596 1.00 0.00 O ATOM 159 CB ALA B1059 -8.551 -5.459 4.302 1.00 0.00 C ATOM 0 H ALA B1059 -7.028 -6.096 6.143 1.00 0.00 H new ATOM 0 HA ALA B1059 -7.360 -3.712 4.663 1.00 0.00 H new ATOM 0 HB1 ALA B1059 -9.218 -4.960 3.599 1.00 0.00 H new ATOM 0 HB2 ALA B1059 -7.757 -5.965 3.753 1.00 0.00 H new ATOM 0 HB3 ALA B1059 -9.115 -6.191 4.880 1.00 0.00 H new ATOM 165 N LYS B1060 -9.575 -4.308 7.029 1.00 0.00 N ATOM 166 CA LYS B1060 -10.645 -3.698 7.808 1.00 0.00 C ATOM 167 C LYS B1060 -10.172 -2.391 8.427 1.00 0.00 C ATOM 168 O LYS B1060 -10.907 -1.403 8.444 1.00 0.00 O ATOM 169 CB LYS B1060 -11.096 -4.655 8.914 1.00 0.00 C ATOM 170 CG LYS B1060 -11.837 -5.841 8.295 1.00 0.00 C ATOM 171 CD LYS B1060 -12.242 -6.822 9.398 1.00 0.00 C ATOM 172 CE LYS B1060 -12.952 -8.026 8.775 1.00 0.00 C ATOM 173 NZ LYS B1060 -14.222 -7.578 8.136 1.00 0.00 N ATOM 0 H LYS B1060 -9.277 -5.226 7.359 1.00 0.00 H new ATOM 0 HA LYS B1060 -11.484 -3.491 7.143 1.00 0.00 H new ATOM 0 HB2 LYS B1060 -10.233 -5.007 9.479 1.00 0.00 H new ATOM 0 HB3 LYS B1060 -11.746 -4.134 9.617 1.00 0.00 H new ATOM 0 HG2 LYS B1060 -12.721 -5.493 7.761 1.00 0.00 H new ATOM 0 HG3 LYS B1060 -11.200 -6.341 7.565 1.00 0.00 H new ATOM 0 HD2 LYS B1060 -11.361 -7.151 9.948 1.00 0.00 H new ATOM 0 HD3 LYS B1060 -12.899 -6.329 10.114 1.00 0.00 H new ATOM 0 HE2 LYS B1060 -12.307 -8.499 8.035 1.00 0.00 H new ATOM 0 HE3 LYS B1060 -13.161 -8.774 9.540 1.00 0.00 H new ATOM 0 HZ1 LYS B1060 -14.843 -8.398 7.986 1.00 0.00 H new ATOM 0 HZ2 LYS B1060 -14.698 -6.891 8.755 1.00 0.00 H new ATOM 0 HZ3 LYS B1060 -14.011 -7.132 7.221 1.00 0.00 H new ATOM 187 N GLU B1061 -8.942 -2.381 8.931 1.00 0.00 N ATOM 188 CA GLU B1061 -8.401 -1.173 9.541 1.00 0.00 C ATOM 189 C GLU B1061 -8.296 -0.050 8.511 1.00 0.00 C ATOM 190 O GLU B1061 -8.621 1.107 8.799 1.00 0.00 O ATOM 191 CB GLU B1061 -7.015 -1.473 10.116 1.00 0.00 C ATOM 192 CG GLU B1061 -7.147 -2.390 11.335 1.00 0.00 C ATOM 193 CD GLU B1061 -7.976 -1.708 12.418 1.00 0.00 C ATOM 194 OE1 GLU B1061 -7.681 -0.564 12.725 1.00 0.00 O ATOM 195 OE2 GLU B1061 -8.887 -2.338 12.926 1.00 0.00 O ATOM 0 H GLU B1061 -8.310 -3.182 8.930 1.00 0.00 H new ATOM 0 HA GLU B1061 -9.071 -0.851 10.338 1.00 0.00 H new ATOM 0 HB2 GLU B1061 -6.392 -1.948 9.358 1.00 0.00 H new ATOM 0 HB3 GLU B1061 -6.520 -0.544 10.400 1.00 0.00 H new ATOM 0 HG2 GLU B1061 -7.617 -3.329 11.044 1.00 0.00 H new ATOM 0 HG3 GLU B1061 -6.159 -2.636 11.724 1.00 0.00 H new ATOM 202 N MET B1062 -7.848 -0.397 7.306 1.00 0.00 N ATOM 203 CA MET B1062 -7.709 0.600 6.249 1.00 0.00 C ATOM 204 C MET B1062 -9.076 1.167 5.877 1.00 0.00 C ATOM 205 O MET B1062 -9.220 2.366 5.640 1.00 0.00 O ATOM 206 CB MET B1062 -7.065 -0.043 5.022 1.00 0.00 C ATOM 207 CG MET B1062 -5.650 -0.499 5.378 1.00 0.00 C ATOM 208 SD MET B1062 -4.989 -1.502 4.026 1.00 0.00 S ATOM 209 CE MET B1062 -3.912 -2.545 5.036 1.00 0.00 C ATOM 0 H MET B1062 -7.579 -1.345 7.041 1.00 0.00 H new ATOM 0 HA MET B1062 -7.077 1.413 6.607 1.00 0.00 H new ATOM 0 HB2 MET B1062 -7.660 -0.892 4.687 1.00 0.00 H new ATOM 0 HB3 MET B1062 -7.034 0.669 4.197 1.00 0.00 H new ATOM 0 HG2 MET B1062 -5.010 0.366 5.552 1.00 0.00 H new ATOM 0 HG3 MET B1062 -5.663 -1.077 6.302 1.00 0.00 H new ATOM 0 HE1 MET B1062 -2.874 -2.384 4.746 1.00 0.00 H new ATOM 0 HE2 MET B1062 -4.039 -2.289 6.088 1.00 0.00 H new ATOM 0 HE3 MET B1062 -4.173 -3.592 4.884 1.00 0.00 H new ATOM 219 N SER B1063 -10.080 0.296 5.836 1.00 0.00 N ATOM 220 CA SER B1063 -11.434 0.721 5.501 1.00 0.00 C ATOM 221 C SER B1063 -11.962 1.696 6.546 1.00 0.00 C ATOM 222 O SER B1063 -12.625 2.678 6.212 1.00 0.00 O ATOM 223 CB SER B1063 -12.362 -0.493 5.417 1.00 0.00 C ATOM 224 OG SER B1063 -11.985 -1.299 4.308 1.00 0.00 O ATOM 0 H SER B1063 -9.983 -0.701 6.029 1.00 0.00 H new ATOM 0 HA SER B1063 -11.407 1.221 4.533 1.00 0.00 H new ATOM 0 HB2 SER B1063 -12.305 -1.073 6.338 1.00 0.00 H new ATOM 0 HB3 SER B1063 -13.397 -0.167 5.309 1.00 0.00 H new ATOM 0 HG SER B1063 -11.169 -1.796 4.527 1.00 0.00 H new ATOM 230 N GLU B1064 -11.666 1.420 7.810 1.00 0.00 N ATOM 231 CA GLU B1064 -12.121 2.281 8.893 1.00 0.00 C ATOM 232 C GLU B1064 -11.551 3.687 8.732 1.00 0.00 C ATOM 233 O GLU B1064 -12.261 4.679 8.917 1.00 0.00 O ATOM 234 CB GLU B1064 -11.665 1.704 10.233 1.00 0.00 C ATOM 235 CG GLU B1064 -12.462 0.436 10.549 1.00 0.00 C ATOM 236 CD GLU B1064 -11.863 -0.276 11.758 1.00 0.00 C ATOM 237 OE1 GLU B1064 -10.748 0.058 12.125 1.00 0.00 O ATOM 238 OE2 GLU B1064 -12.529 -1.143 12.299 1.00 0.00 O ATOM 0 H GLU B1064 -11.117 0.613 8.108 1.00 0.00 H new ATOM 0 HA GLU B1064 -13.209 2.333 8.863 1.00 0.00 H new ATOM 0 HB2 GLU B1064 -10.600 1.476 10.198 1.00 0.00 H new ATOM 0 HB3 GLU B1064 -11.807 2.441 11.024 1.00 0.00 H new ATOM 0 HG2 GLU B1064 -13.503 0.692 10.748 1.00 0.00 H new ATOM 0 HG3 GLU B1064 -12.457 -0.230 9.686 1.00 0.00 H new ATOM 559 N LEU B1086 4.107 6.124 -1.480 1.00 0.00 N ATOM 560 CA LEU B1086 3.508 5.431 -0.345 1.00 0.00 C ATOM 561 C LEU B1086 3.431 3.926 -0.608 1.00 0.00 C ATOM 562 O LEU B1086 3.333 3.127 0.321 1.00 0.00 O ATOM 563 CB LEU B1086 2.105 5.976 -0.096 1.00 0.00 C ATOM 564 CG LEU B1086 2.147 7.504 -0.053 1.00 0.00 C ATOM 565 CD1 LEU B1086 0.727 8.055 0.072 1.00 0.00 C ATOM 566 CD2 LEU B1086 2.974 7.960 1.152 1.00 0.00 C ATOM 0 HA LEU B1086 4.132 5.600 0.533 1.00 0.00 H new ATOM 0 HB2 LEU B1086 1.430 5.643 -0.884 1.00 0.00 H new ATOM 0 HB3 LEU B1086 1.714 5.586 0.844 1.00 0.00 H new ATOM 0 HG LEU B1086 2.602 7.876 -0.971 1.00 0.00 H new ATOM 0 HD11 LEU B1086 0.761 9.144 0.102 1.00 0.00 H new ATOM 0 HD12 LEU B1086 0.135 7.734 -0.785 1.00 0.00 H new ATOM 0 HD13 LEU B1086 0.271 7.680 0.988 1.00 0.00 H new ATOM 0 HD21 LEU B1086 3.003 9.049 1.182 1.00 0.00 H new ATOM 0 HD22 LEU B1086 2.519 7.584 2.069 1.00 0.00 H new ATOM 0 HD23 LEU B1086 3.989 7.572 1.065 1.00 0.00 H new ATOM 578 N SER B1087 3.479 3.549 -1.876 1.00 0.00 N ATOM 579 CA SER B1087 3.419 2.143 -2.252 1.00 0.00 C ATOM 580 C SER B1087 4.570 1.377 -1.611 1.00 0.00 C ATOM 581 O SER B1087 4.464 0.182 -1.334 1.00 0.00 O ATOM 582 CB SER B1087 3.488 2.003 -3.770 1.00 0.00 C ATOM 583 OG SER B1087 3.437 0.626 -4.107 1.00 0.00 O ATOM 0 H SER B1087 3.559 4.195 -2.662 1.00 0.00 H new ATOM 0 HA SER B1087 2.476 1.727 -1.898 1.00 0.00 H new ATOM 0 HB2 SER B1087 2.659 2.536 -4.236 1.00 0.00 H new ATOM 0 HB3 SER B1087 4.407 2.450 -4.148 1.00 0.00 H new ATOM 0 HG SER B1087 3.479 0.526 -5.081 1.00 0.00 H new ATOM 589 N LYS B1088 5.673 2.066 -1.401 1.00 0.00 N ATOM 590 CA LYS B1088 6.851 1.441 -0.793 1.00 0.00 C ATOM 591 C LYS B1088 6.850 1.613 0.723 1.00 0.00 C ATOM 592 O LYS B1088 7.800 1.223 1.406 1.00 0.00 O ATOM 593 CB LYS B1088 8.122 2.054 -1.372 1.00 0.00 C ATOM 594 CG LYS B1088 8.265 1.649 -2.839 1.00 0.00 C ATOM 595 CD LYS B1088 9.405 2.440 -3.484 1.00 0.00 C ATOM 596 CE LYS B1088 10.720 2.100 -2.786 1.00 0.00 C ATOM 597 NZ LYS B1088 11.847 2.786 -3.483 1.00 0.00 N ATOM 0 H LYS B1088 5.788 3.052 -1.637 1.00 0.00 H new ATOM 0 HA LYS B1088 6.818 0.375 -1.019 1.00 0.00 H new ATOM 0 HB2 LYS B1088 8.086 3.140 -1.286 1.00 0.00 H new ATOM 0 HB3 LYS B1088 8.990 1.718 -0.805 1.00 0.00 H new ATOM 0 HG2 LYS B1088 8.464 0.580 -2.913 1.00 0.00 H new ATOM 0 HG3 LYS B1088 7.332 1.837 -3.371 1.00 0.00 H new ATOM 0 HD2 LYS B1088 9.472 2.201 -4.545 1.00 0.00 H new ATOM 0 HD3 LYS B1088 9.207 3.509 -3.410 1.00 0.00 H new ATOM 0 HE2 LYS B1088 10.681 2.412 -1.742 1.00 0.00 H new ATOM 0 HE3 LYS B1088 10.878 1.022 -2.791 1.00 0.00 H new ATOM 0 HZ1 LYS B1088 12.742 2.554 -3.007 1.00 0.00 H new ATOM 0 HZ2 LYS B1088 11.888 2.468 -4.472 1.00 0.00 H new ATOM 0 HZ3 LYS B1088 11.697 3.815 -3.456 1.00 0.00 H new ATOM 611 N TRP B1089 5.785 2.204 1.241 1.00 0.00 N ATOM 612 CA TRP B1089 5.669 2.433 2.678 1.00 0.00 C ATOM 613 C TRP B1089 4.875 1.321 3.345 1.00 0.00 C ATOM 614 O TRP B1089 3.801 0.937 2.883 1.00 0.00 O ATOM 615 CB TRP B1089 4.982 3.776 2.945 1.00 0.00 C ATOM 616 CG TRP B1089 5.917 4.889 2.620 1.00 0.00 C ATOM 617 CD1 TRP B1089 6.589 5.018 1.456 1.00 0.00 C ATOM 618 CD2 TRP B1089 6.288 6.036 3.436 1.00 0.00 C ATOM 619 NE1 TRP B1089 7.352 6.158 1.508 1.00 0.00 N ATOM 620 CE2 TRP B1089 7.204 6.827 2.705 1.00 0.00 C ATOM 621 CE3 TRP B1089 5.927 6.465 4.725 1.00 0.00 C ATOM 622 CZ2 TRP B1089 7.746 8.003 3.234 1.00 0.00 C ATOM 623 CZ3 TRP B1089 6.469 7.646 5.260 1.00 0.00 C ATOM 624 CH2 TRP B1089 7.374 8.413 4.517 1.00 0.00 C ATOM 0 H TRP B1089 4.990 2.534 0.693 1.00 0.00 H new ATOM 0 HA TRP B1089 6.675 2.446 3.097 1.00 0.00 H new ATOM 0 HB2 TRP B1089 4.078 3.860 2.342 1.00 0.00 H new ATOM 0 HB3 TRP B1089 4.676 3.838 3.989 1.00 0.00 H new ATOM 0 HD1 TRP B1089 6.535 4.336 0.621 1.00 0.00 H new ATOM 0 HE1 TRP B1089 7.957 6.473 0.750 1.00 0.00 H new ATOM 0 HE3 TRP B1089 5.228 5.883 5.308 1.00 0.00 H new ATOM 0 HZ2 TRP B1089 8.446 8.589 2.656 1.00 0.00 H new ATOM 0 HZ3 TRP B1089 6.185 7.964 6.252 1.00 0.00 H new ATOM 0 HH2 TRP B1089 7.784 9.320 4.935 1.00 0.00 H new ATOM 635 N LYS B1090 5.405 0.813 4.440 1.00 0.00 N ATOM 636 CA LYS B1090 4.735 -0.261 5.177 1.00 0.00 C ATOM 637 C LYS B1090 3.421 0.235 5.769 1.00 0.00 C ATOM 638 O LYS B1090 3.206 1.436 5.910 1.00 0.00 O ATOM 639 CB LYS B1090 5.629 -0.776 6.302 1.00 0.00 C ATOM 640 CG LYS B1090 6.899 -1.387 5.724 1.00 0.00 C ATOM 641 CD LYS B1090 6.554 -2.680 4.982 1.00 0.00 C ATOM 642 CE LYS B1090 7.841 -3.422 4.609 1.00 0.00 C ATOM 643 NZ LYS B1090 8.641 -2.591 3.665 1.00 0.00 N ATOM 0 H LYS B1090 6.291 1.118 4.844 1.00 0.00 H new ATOM 0 HA LYS B1090 4.532 -1.072 4.477 1.00 0.00 H new ATOM 0 HB2 LYS B1090 5.884 0.041 6.977 1.00 0.00 H new ATOM 0 HB3 LYS B1090 5.093 -1.521 6.891 1.00 0.00 H new ATOM 0 HG2 LYS B1090 7.377 -0.682 5.044 1.00 0.00 H new ATOM 0 HG3 LYS B1090 7.612 -1.593 6.523 1.00 0.00 H new ATOM 0 HD2 LYS B1090 5.926 -3.314 5.609 1.00 0.00 H new ATOM 0 HD3 LYS B1090 5.981 -2.453 4.083 1.00 0.00 H new ATOM 0 HE2 LYS B1090 8.423 -3.634 5.506 1.00 0.00 H new ATOM 0 HE3 LYS B1090 7.600 -4.381 4.151 1.00 0.00 H new ATOM 0 HZ1 LYS B1090 9.404 -3.168 3.256 1.00 0.00 H new ATOM 0 HZ2 LYS B1090 8.025 -2.240 2.904 1.00 0.00 H new ATOM 0 HZ3 LYS B1090 9.053 -1.784 4.176 1.00 0.00 H new ATOM 657 N TYR B1091 2.542 -0.703 6.117 1.00 0.00 N ATOM 658 CA TYR B1091 1.255 -0.352 6.693 1.00 0.00 C ATOM 659 C TYR B1091 1.467 0.484 7.948 1.00 0.00 C ATOM 660 O TYR B1091 0.817 1.515 8.138 1.00 0.00 O ATOM 661 CB TYR B1091 0.468 -1.622 7.039 1.00 0.00 C ATOM 662 CG TYR B1091 -0.803 -1.248 7.764 1.00 0.00 C ATOM 663 CD1 TYR B1091 -1.888 -0.726 7.051 1.00 0.00 C ATOM 664 CD2 TYR B1091 -0.897 -1.426 9.149 1.00 0.00 C ATOM 665 CE1 TYR B1091 -3.065 -0.379 7.724 1.00 0.00 C ATOM 666 CE2 TYR B1091 -2.074 -1.080 9.822 1.00 0.00 C ATOM 667 CZ TYR B1091 -3.159 -0.557 9.108 1.00 0.00 C ATOM 668 OH TYR B1091 -4.320 -0.215 9.772 1.00 0.00 O ATOM 0 H TYR B1091 2.700 -1.705 6.009 1.00 0.00 H new ATOM 0 HA TYR B1091 0.686 0.227 5.966 1.00 0.00 H new ATOM 0 HB2 TYR B1091 0.231 -2.174 6.130 1.00 0.00 H new ATOM 0 HB3 TYR B1091 1.074 -2.279 7.662 1.00 0.00 H new ATOM 0 HD1 TYR B1091 -1.817 -0.591 5.982 1.00 0.00 H new ATOM 0 HD2 TYR B1091 -0.060 -1.831 9.699 1.00 0.00 H new ATOM 0 HE1 TYR B1091 -3.901 0.027 7.174 1.00 0.00 H new ATOM 0 HE2 TYR B1091 -2.145 -1.216 10.891 1.00 0.00 H new ATOM 0 HH TYR B1091 -4.875 0.347 9.192 1.00 0.00 H new ATOM 678 N ALA B1092 2.384 0.039 8.800 1.00 0.00 N ATOM 679 CA ALA B1092 2.673 0.767 10.034 1.00 0.00 C ATOM 680 C ALA B1092 3.237 2.153 9.719 1.00 0.00 C ATOM 681 O ALA B1092 2.907 3.136 10.382 1.00 0.00 O ATOM 682 CB ALA B1092 3.671 -0.016 10.884 1.00 0.00 C ATOM 0 H ALA B1092 2.934 -0.809 8.664 1.00 0.00 H new ATOM 0 HA ALA B1092 1.743 0.885 10.591 1.00 0.00 H new ATOM 0 HB1 ALA B1092 3.879 0.535 11.801 1.00 0.00 H new ATOM 0 HB2 ALA B1092 3.251 -0.990 11.134 1.00 0.00 H new ATOM 0 HB3 ALA B1092 4.597 -0.153 10.325 1.00 0.00 H new ATOM 688 N GLU B1093 4.091 2.214 8.704 1.00 0.00 N ATOM 689 CA GLU B1093 4.705 3.475 8.302 1.00 0.00 C ATOM 690 C GLU B1093 3.643 4.464 7.834 1.00 0.00 C ATOM 691 O GLU B1093 3.674 5.637 8.199 1.00 0.00 O ATOM 692 CB GLU B1093 5.714 3.236 7.176 1.00 0.00 C ATOM 693 CG GLU B1093 6.937 2.496 7.727 1.00 0.00 C ATOM 694 CD GLU B1093 7.906 2.176 6.593 1.00 0.00 C ATOM 695 OE1 GLU B1093 7.545 2.401 5.450 1.00 0.00 O ATOM 696 OE2 GLU B1093 8.995 1.710 6.886 1.00 0.00 O ATOM 0 H GLU B1093 4.374 1.408 8.146 1.00 0.00 H new ATOM 0 HA GLU B1093 5.221 3.894 9.166 1.00 0.00 H new ATOM 0 HB2 GLU B1093 5.253 2.653 6.379 1.00 0.00 H new ATOM 0 HB3 GLU B1093 6.019 4.187 6.740 1.00 0.00 H new ATOM 0 HG2 GLU B1093 7.434 3.108 8.480 1.00 0.00 H new ATOM 0 HG3 GLU B1093 6.624 1.576 8.220 1.00 0.00 H new ATOM 703 N LEU B1094 2.688 3.979 7.040 1.00 0.00 N ATOM 704 CA LEU B1094 1.616 4.831 6.551 1.00 0.00 C ATOM 705 C LEU B1094 0.788 5.353 7.712 1.00 0.00 C ATOM 706 O LEU B1094 0.384 6.514 7.722 1.00 0.00 O ATOM 707 CB LEU B1094 0.732 4.045 5.579 1.00 0.00 C ATOM 708 CG LEU B1094 1.485 3.848 4.265 1.00 0.00 C ATOM 709 CD1 LEU B1094 0.772 2.782 3.424 1.00 0.00 C ATOM 710 CD2 LEU B1094 1.495 5.168 3.490 1.00 0.00 C ATOM 0 H LEU B1094 2.639 3.009 6.727 1.00 0.00 H new ATOM 0 HA LEU B1094 2.050 5.682 6.026 1.00 0.00 H new ATOM 0 HB2 LEU B1094 0.467 3.079 6.009 1.00 0.00 H new ATOM 0 HB3 LEU B1094 -0.200 4.581 5.401 1.00 0.00 H new ATOM 0 HG LEU B1094 2.506 3.530 4.474 1.00 0.00 H new ATOM 0 HD11 LEU B1094 1.308 2.640 2.486 1.00 0.00 H new ATOM 0 HD12 LEU B1094 0.748 1.841 3.974 1.00 0.00 H new ATOM 0 HD13 LEU B1094 -0.247 3.106 3.214 1.00 0.00 H new ATOM 0 HD21 LEU B1094 2.031 5.034 2.551 1.00 0.00 H new ATOM 0 HD22 LEU B1094 0.470 5.476 3.282 1.00 0.00 H new ATOM 0 HD23 LEU B1094 1.991 5.935 4.085 1.00 0.00 H new ATOM 722 N ARG B1095 0.551 4.493 8.701 1.00 0.00 N ATOM 723 CA ARG B1095 -0.216 4.894 9.868 1.00 0.00 C ATOM 724 C ARG B1095 0.465 6.053 10.581 1.00 0.00 C ATOM 725 O ARG B1095 -0.163 7.064 10.891 1.00 0.00 O ATOM 726 CB ARG B1095 -0.349 3.705 10.821 1.00 0.00 C ATOM 727 CG ARG B1095 -0.905 4.196 12.158 1.00 0.00 C ATOM 728 CD ARG B1095 -1.342 3.002 12.994 1.00 0.00 C ATOM 729 NE ARG B1095 -2.505 2.382 12.393 1.00 0.00 N ATOM 730 CZ ARG B1095 -3.077 1.297 12.935 1.00 0.00 C ATOM 731 NH1 ARG B1095 -2.592 0.770 14.035 1.00 0.00 N ATOM 732 NH2 ARG B1095 -4.122 0.751 12.370 1.00 0.00 N ATOM 0 H ARG B1095 0.877 3.526 8.714 1.00 0.00 H new ATOM 0 HA ARG B1095 -1.206 5.219 9.547 1.00 0.00 H new ATOM 0 HB2 ARG B1095 -1.010 2.952 10.393 1.00 0.00 H new ATOM 0 HB3 ARG B1095 0.621 3.231 10.968 1.00 0.00 H new ATOM 0 HG2 ARG B1095 -0.146 4.769 12.691 1.00 0.00 H new ATOM 0 HG3 ARG B1095 -1.749 4.864 11.990 1.00 0.00 H new ATOM 0 HD2 ARG B1095 -0.529 2.279 13.065 1.00 0.00 H new ATOM 0 HD3 ARG B1095 -1.573 3.323 14.010 1.00 0.00 H new ATOM 0 HE ARG B1095 -2.897 2.779 11.539 1.00 0.00 H new ATOM 0 HH11 ARG B1095 -1.775 1.186 14.483 1.00 0.00 H new ATOM 0 HH12 ARG B1095 -3.032 -0.055 14.442 1.00 0.00 H new ATOM 0 HH21 ARG B1095 -4.505 1.150 11.513 1.00 0.00 H new ATOM 0 HH22 ARG B1095 -4.554 -0.074 12.786 1.00 0.00 H new ATOM 746 N ASP B1096 1.760 5.904 10.819 1.00 0.00 N ATOM 747 CA ASP B1096 2.527 6.951 11.477 1.00 0.00 C ATOM 748 C ASP B1096 2.561 8.202 10.610 1.00 0.00 C ATOM 749 O ASP B1096 2.484 9.318 11.129 1.00 0.00 O ATOM 750 CB ASP B1096 3.956 6.477 11.753 1.00 0.00 C ATOM 751 CG ASP B1096 3.951 5.441 12.872 1.00 0.00 C ATOM 752 OD1 ASP B1096 2.930 5.303 13.523 1.00 0.00 O ATOM 753 OD2 ASP B1096 4.976 4.804 13.068 1.00 0.00 O ATOM 0 H ASP B1096 2.298 5.075 10.568 1.00 0.00 H new ATOM 0 HA ASP B1096 2.044 7.185 12.426 1.00 0.00 H new ATOM 0 HB2 ASP B1096 4.387 6.047 10.849 1.00 0.00 H new ATOM 0 HB3 ASP B1096 4.582 7.324 12.033 1.00 0.00 H new ATOM 758 N THR B1097 2.678 8.014 9.293 1.00 0.00 N ATOM 759 CA THR B1097 2.720 9.142 8.381 1.00 0.00 C ATOM 760 C THR B1097 1.424 9.948 8.464 1.00 0.00 C ATOM 761 O THR B1097 1.455 11.175 8.532 1.00 0.00 O ATOM 762 CB THR B1097 2.914 8.642 6.954 1.00 0.00 C ATOM 763 OG1 THR B1097 4.145 7.942 6.867 1.00 0.00 O ATOM 764 CG2 THR B1097 2.926 9.829 5.993 1.00 0.00 C ATOM 0 H THR B1097 2.744 7.100 8.846 1.00 0.00 H new ATOM 0 HA THR B1097 3.554 9.785 8.663 1.00 0.00 H new ATOM 0 HB THR B1097 2.096 7.973 6.686 1.00 0.00 H new ATOM 0 HG1 THR B1097 4.516 8.044 5.966 1.00 0.00 H new ATOM 0 HG21 THR B1097 3.065 9.470 4.973 1.00 0.00 H new ATOM 0 HG22 THR B1097 1.979 10.364 6.064 1.00 0.00 H new ATOM 0 HG23 THR B1097 3.743 10.501 6.255 1.00 0.00 H new ATOM 772 N ILE B1098 0.294 9.257 8.446 1.00 0.00 N ATOM 773 CA ILE B1098 -0.998 9.934 8.514 1.00 0.00 C ATOM 774 C ILE B1098 -1.158 10.676 9.838 1.00 0.00 C ATOM 775 O ILE B1098 -1.537 11.850 9.863 1.00 0.00 O ATOM 776 CB ILE B1098 -2.123 8.911 8.368 1.00 0.00 C ATOM 777 CG1 ILE B1098 -2.101 8.336 6.953 1.00 0.00 C ATOM 778 CG2 ILE B1098 -3.470 9.591 8.618 1.00 0.00 C ATOM 779 CD1 ILE B1098 -3.034 7.126 6.874 1.00 0.00 C ATOM 0 H ILE B1098 0.242 8.240 8.386 1.00 0.00 H new ATOM 0 HA ILE B1098 -1.047 10.659 7.701 1.00 0.00 H new ATOM 0 HB ILE B1098 -1.982 8.109 9.093 1.00 0.00 H new ATOM 0 HG12 ILE B1098 -2.413 9.096 6.236 1.00 0.00 H new ATOM 0 HG13 ILE B1098 -1.086 8.043 6.685 1.00 0.00 H new ATOM 0 HG21 ILE B1098 -4.272 8.860 8.513 1.00 0.00 H new ATOM 0 HG22 ILE B1098 -3.487 10.006 9.626 1.00 0.00 H new ATOM 0 HG23 ILE B1098 -3.613 10.392 7.893 1.00 0.00 H new ATOM 0 HD11 ILE B1098 -3.016 6.718 5.863 1.00 0.00 H new ATOM 0 HD12 ILE B1098 -2.702 6.364 7.579 1.00 0.00 H new ATOM 0 HD13 ILE B1098 -4.050 7.433 7.123 1.00 0.00 H new ATOM 791 N ASN B1099 -0.870 9.986 10.935 1.00 0.00 N ATOM 792 CA ASN B1099 -0.989 10.587 12.262 1.00 0.00 C ATOM 793 C ASN B1099 -0.031 11.764 12.419 1.00 0.00 C ATOM 794 O ASN B1099 -0.364 12.777 13.040 1.00 0.00 O ATOM 795 CB ASN B1099 -0.694 9.544 13.335 1.00 0.00 C ATOM 796 CG ASN B1099 -1.916 8.655 13.544 1.00 0.00 C ATOM 797 OD1 ASN B1099 -2.665 8.843 14.499 1.00 0.00 O ATOM 798 ND2 ASN B1099 -2.179 7.712 12.681 1.00 0.00 N ATOM 0 H ASN B1099 -0.554 9.016 10.935 1.00 0.00 H new ATOM 0 HA ASN B1099 -2.009 10.953 12.377 1.00 0.00 H new ATOM 0 HB2 ASN B1099 0.162 8.937 13.039 1.00 0.00 H new ATOM 0 HB3 ASN B1099 -0.428 10.037 14.270 1.00 0.00 H new ATOM 0 HD21 ASN B1099 -3.008 7.129 12.799 1.00 0.00 H new ATOM 0 HD22 ASN B1099 -1.556 7.558 11.889 1.00 0.00 H new ATOM 805 N THR B1100 1.168 11.624 11.863 1.00 0.00 N ATOM 806 CA THR B1100 2.170 12.680 11.952 1.00 0.00 C ATOM 807 C THR B1100 2.046 13.653 10.781 1.00 0.00 C ATOM 808 O THR B1100 2.797 14.627 10.695 1.00 0.00 O ATOM 809 CB THR B1100 3.571 12.065 11.972 1.00 0.00 C ATOM 810 OG1 THR B1100 4.492 13.002 12.507 1.00 0.00 O ATOM 811 CG2 THR B1100 3.986 11.692 10.553 1.00 0.00 C ATOM 0 H THR B1100 1.468 10.796 11.349 1.00 0.00 H new ATOM 0 HA THR B1100 2.003 13.234 12.875 1.00 0.00 H new ATOM 0 HB THR B1100 3.565 11.169 12.593 1.00 0.00 H new ATOM 0 HG1 THR B1100 4.280 13.898 12.171 1.00 0.00 H new ATOM 0 HG21 THR B1100 4.984 11.254 10.569 1.00 0.00 H new ATOM 0 HG22 THR B1100 3.279 10.969 10.145 1.00 0.00 H new ATOM 0 HG23 THR B1100 3.992 12.586 9.929 1.00 0.00 H new ATOM 819 N SER B1101 1.106 13.386 9.871 1.00 0.00 N ATOM 820 CA SER B1101 0.914 14.244 8.719 1.00 0.00 C ATOM 821 C SER B1101 0.508 15.646 9.156 1.00 0.00 C ATOM 822 O SER B1101 -0.304 15.814 10.065 1.00 0.00 O ATOM 823 CB SER B1101 -0.171 13.656 7.814 1.00 0.00 C ATOM 824 OG SER B1101 -0.369 14.517 6.705 1.00 0.00 O ATOM 0 H SER B1101 0.474 12.586 9.916 1.00 0.00 H new ATOM 0 HA SER B1101 1.855 14.307 8.172 1.00 0.00 H new ATOM 0 HB2 SER B1101 0.122 12.664 7.472 1.00 0.00 H new ATOM 0 HB3 SER B1101 -1.101 13.539 8.370 1.00 0.00 H new ATOM 0 HG SER B1101 0.434 15.062 6.566 1.00 0.00 H new ATOM 830 N CYS B1102 1.083 16.645 8.502 1.00 0.00 N ATOM 831 CA CYS B1102 0.776 18.034 8.823 1.00 0.00 C ATOM 832 C CYS B1102 0.211 18.758 7.602 1.00 0.00 C ATOM 833 O CYS B1102 0.205 19.987 7.550 1.00 0.00 O ATOM 834 CB CYS B1102 2.038 18.749 9.308 1.00 0.00 C ATOM 835 SG CYS B1102 2.577 18.018 10.875 1.00 0.00 S ATOM 0 H CYS B1102 1.761 16.523 7.750 1.00 0.00 H new ATOM 0 HA CYS B1102 0.026 18.047 9.614 1.00 0.00 H new ATOM 0 HB2 CYS B1102 2.828 18.662 8.562 1.00 0.00 H new ATOM 0 HB3 CYS B1102 1.839 19.813 9.439 1.00 0.00 H new ATOM 0 HG CYS B1102 2.642 16.726 10.751 1.00 0.00 H new ATOM 841 N ASP B1103 -0.261 17.990 6.624 1.00 0.00 N ATOM 842 CA ASP B1103 -0.823 18.573 5.413 1.00 0.00 C ATOM 843 C ASP B1103 -1.929 17.683 4.855 1.00 0.00 C ATOM 844 O ASP B1103 -1.894 16.461 5.008 1.00 0.00 O ATOM 845 CB ASP B1103 0.275 18.744 4.360 1.00 0.00 C ATOM 846 CG ASP B1103 -0.183 19.721 3.284 1.00 0.00 C ATOM 847 OD1 ASP B1103 -1.188 20.379 3.496 1.00 0.00 O ATOM 848 OD2 ASP B1103 0.477 19.797 2.260 1.00 0.00 O ATOM 0 H ASP B1103 -0.265 16.970 6.647 1.00 0.00 H new ATOM 0 HA ASP B1103 -1.245 19.547 5.661 1.00 0.00 H new ATOM 0 HB2 ASP B1103 1.188 19.110 4.830 1.00 0.00 H new ATOM 0 HB3 ASP B1103 0.512 17.780 3.910 1.00 0.00 H new ATOM 853 N ILE B1104 -2.909 18.301 4.206 1.00 0.00 N ATOM 854 CA ILE B1104 -4.016 17.555 3.631 1.00 0.00 C ATOM 855 C ILE B1104 -3.553 16.751 2.420 1.00 0.00 C ATOM 856 O ILE B1104 -4.129 15.714 2.097 1.00 0.00 O ATOM 857 CB ILE B1104 -5.127 18.525 3.216 1.00 0.00 C ATOM 858 CG1 ILE B1104 -4.589 19.504 2.165 1.00 0.00 C ATOM 859 CG2 ILE B1104 -5.617 19.305 4.434 1.00 0.00 C ATOM 860 CD1 ILE B1104 -5.727 20.396 1.667 1.00 0.00 C ATOM 0 H ILE B1104 -2.958 19.310 4.067 1.00 0.00 H new ATOM 0 HA ILE B1104 -4.397 16.861 4.380 1.00 0.00 H new ATOM 0 HB ILE B1104 -5.957 17.958 2.795 1.00 0.00 H new ATOM 0 HG12 ILE B1104 -3.795 20.115 2.595 1.00 0.00 H new ATOM 0 HG13 ILE B1104 -4.152 18.955 1.331 1.00 0.00 H new ATOM 0 HG21 ILE B1104 -6.407 19.993 4.132 1.00 0.00 H new ATOM 0 HG22 ILE B1104 -6.006 18.610 5.179 1.00 0.00 H new ATOM 0 HG23 ILE B1104 -4.789 19.869 4.862 1.00 0.00 H new ATOM 0 HD11 ILE B1104 -5.344 21.091 0.920 1.00 0.00 H new ATOM 0 HD12 ILE B1104 -6.506 19.777 1.221 1.00 0.00 H new ATOM 0 HD13 ILE B1104 -6.143 20.956 2.504 1.00 0.00 H new ATOM 872 N GLU B1105 -2.509 17.237 1.753 1.00 0.00 N ATOM 873 CA GLU B1105 -1.986 16.557 0.579 1.00 0.00 C ATOM 874 C GLU B1105 -1.457 15.178 0.948 1.00 0.00 C ATOM 875 O GLU B1105 -1.767 14.184 0.294 1.00 0.00 O ATOM 876 CB GLU B1105 -0.855 17.390 -0.036 1.00 0.00 C ATOM 877 CG GLU B1105 -1.435 18.654 -0.677 1.00 0.00 C ATOM 878 CD GLU B1105 -0.307 19.589 -1.100 1.00 0.00 C ATOM 879 OE1 GLU B1105 0.807 19.387 -0.644 1.00 0.00 O ATOM 880 OE2 GLU B1105 -0.572 20.495 -1.873 1.00 0.00 O ATOM 0 H GLU B1105 -2.014 18.092 2.005 1.00 0.00 H new ATOM 0 HA GLU B1105 -2.794 16.440 -0.143 1.00 0.00 H new ATOM 0 HB2 GLU B1105 -0.130 17.660 0.732 1.00 0.00 H new ATOM 0 HB3 GLU B1105 -0.323 16.802 -0.784 1.00 0.00 H new ATOM 0 HG2 GLU B1105 -2.041 18.387 -1.543 1.00 0.00 H new ATOM 0 HG3 GLU B1105 -2.093 19.161 0.029 1.00 0.00 H new ATOM 887 N LEU B1106 -0.673 15.119 2.020 1.00 0.00 N ATOM 888 CA LEU B1106 -0.123 13.854 2.471 1.00 0.00 C ATOM 889 C LEU B1106 -1.242 12.939 2.963 1.00 0.00 C ATOM 890 O LEU B1106 -1.234 11.737 2.709 1.00 0.00 O ATOM 891 CB LEU B1106 0.881 14.095 3.605 1.00 0.00 C ATOM 892 CG LEU B1106 1.497 12.764 4.031 1.00 0.00 C ATOM 893 CD1 LEU B1106 2.384 12.226 2.906 1.00 0.00 C ATOM 894 CD2 LEU B1106 2.342 12.976 5.290 1.00 0.00 C ATOM 0 H LEU B1106 -0.409 15.926 2.585 1.00 0.00 H new ATOM 0 HA LEU B1106 0.386 13.375 1.635 1.00 0.00 H new ATOM 0 HB2 LEU B1106 1.662 14.780 3.274 1.00 0.00 H new ATOM 0 HB3 LEU B1106 0.382 14.565 4.453 1.00 0.00 H new ATOM 0 HG LEU B1106 0.703 12.047 4.240 1.00 0.00 H new ATOM 0 HD11 LEU B1106 2.823 11.276 3.211 1.00 0.00 H new ATOM 0 HD12 LEU B1106 1.783 12.076 2.009 1.00 0.00 H new ATOM 0 HD13 LEU B1106 3.179 12.942 2.695 1.00 0.00 H new ATOM 0 HD21 LEU B1106 2.783 12.027 5.596 1.00 0.00 H new ATOM 0 HD22 LEU B1106 3.135 13.694 5.079 1.00 0.00 H new ATOM 0 HD23 LEU B1106 1.710 13.358 6.092 1.00 0.00 H new ATOM 906 N LEU B1107 -2.205 13.521 3.680 1.00 0.00 N ATOM 907 CA LEU B1107 -3.318 12.744 4.213 1.00 0.00 C ATOM 908 C LEU B1107 -4.102 12.102 3.070 1.00 0.00 C ATOM 909 O LEU B1107 -4.456 10.925 3.128 1.00 0.00 O ATOM 910 CB LEU B1107 -4.243 13.665 5.016 1.00 0.00 C ATOM 911 CG LEU B1107 -3.527 14.133 6.280 1.00 0.00 C ATOM 912 CD1 LEU B1107 -4.318 15.268 6.927 1.00 0.00 C ATOM 913 CD2 LEU B1107 -3.412 12.966 7.267 1.00 0.00 C ATOM 0 H LEU B1107 -2.235 14.516 3.901 1.00 0.00 H new ATOM 0 HA LEU B1107 -2.929 11.959 4.862 1.00 0.00 H new ATOM 0 HB2 LEU B1107 -4.533 14.524 4.411 1.00 0.00 H new ATOM 0 HB3 LEU B1107 -5.160 13.137 5.279 1.00 0.00 H new ATOM 0 HG LEU B1107 -2.530 14.488 6.018 1.00 0.00 H new ATOM 0 HD11 LEU B1107 -3.805 15.601 7.829 1.00 0.00 H new ATOM 0 HD12 LEU B1107 -4.398 16.100 6.228 1.00 0.00 H new ATOM 0 HD13 LEU B1107 -5.316 14.914 7.186 1.00 0.00 H new ATOM 0 HD21 LEU B1107 -2.901 13.302 8.169 1.00 0.00 H new ATOM 0 HD22 LEU B1107 -4.409 12.609 7.526 1.00 0.00 H new ATOM 0 HD23 LEU B1107 -2.845 12.156 6.808 1.00 0.00 H new ATOM 925 N ALA B1108 -4.341 12.882 2.023 1.00 0.00 N ATOM 926 CA ALA B1108 -5.055 12.386 0.860 1.00 0.00 C ATOM 927 C ALA B1108 -4.239 11.295 0.170 1.00 0.00 C ATOM 928 O ALA B1108 -4.792 10.337 -0.364 1.00 0.00 O ATOM 929 CB ALA B1108 -5.338 13.529 -0.120 1.00 0.00 C ATOM 0 H ALA B1108 -4.051 13.858 1.958 1.00 0.00 H new ATOM 0 HA ALA B1108 -6.005 11.964 1.188 1.00 0.00 H new ATOM 0 HB1 ALA B1108 -5.874 13.141 -0.986 1.00 0.00 H new ATOM 0 HB2 ALA B1108 -5.946 14.288 0.372 1.00 0.00 H new ATOM 0 HB3 ALA B1108 -4.396 13.972 -0.444 1.00 0.00 H new ATOM 935 N ALA B1109 -2.915 11.462 0.169 1.00 0.00 N ATOM 936 CA ALA B1109 -2.038 10.499 -0.473 1.00 0.00 C ATOM 937 C ALA B1109 -2.136 9.141 0.205 1.00 0.00 C ATOM 938 O ALA B1109 -2.220 8.106 -0.454 1.00 0.00 O ATOM 939 CB ALA B1109 -0.593 11.002 -0.416 1.00 0.00 C ATOM 0 H ALA B1109 -2.436 12.251 0.604 1.00 0.00 H new ATOM 0 HA ALA B1109 -2.347 10.388 -1.512 1.00 0.00 H new ATOM 0 HB1 ALA B1109 0.064 10.278 -0.898 1.00 0.00 H new ATOM 0 HB2 ALA B1109 -0.520 11.959 -0.933 1.00 0.00 H new ATOM 0 HB3 ALA B1109 -0.292 11.128 0.624 1.00 0.00 H new ATOM 945 N CYS B1110 -2.134 9.154 1.537 1.00 0.00 N ATOM 946 CA CYS B1110 -2.225 7.918 2.300 1.00 0.00 C ATOM 947 C CYS B1110 -3.583 7.265 2.075 1.00 0.00 C ATOM 948 O CYS B1110 -3.684 6.049 1.937 1.00 0.00 O ATOM 949 CB CYS B1110 -2.028 8.215 3.784 1.00 0.00 C ATOM 950 SG CYS B1110 -0.326 8.759 4.023 1.00 0.00 S ATOM 0 H CYS B1110 -2.071 10.000 2.103 1.00 0.00 H new ATOM 0 HA CYS B1110 -1.446 7.233 1.966 1.00 0.00 H new ATOM 0 HB2 CYS B1110 -2.724 8.986 4.114 1.00 0.00 H new ATOM 0 HB3 CYS B1110 -2.231 7.326 4.381 1.00 0.00 H new ATOM 0 HG CYS B1110 -0.205 9.991 3.628 1.00 0.00 H new ATOM 956 N ARG B1111 -4.630 8.092 2.028 1.00 0.00 N ATOM 957 CA ARG B1111 -5.973 7.586 1.811 1.00 0.00 C ATOM 958 C ARG B1111 -6.059 6.891 0.456 1.00 0.00 C ATOM 959 O ARG B1111 -6.657 5.823 0.330 1.00 0.00 O ATOM 960 CB ARG B1111 -6.968 8.749 1.863 1.00 0.00 C ATOM 961 CG ARG B1111 -7.102 9.242 3.305 1.00 0.00 C ATOM 962 CD ARG B1111 -7.896 10.545 3.321 1.00 0.00 C ATOM 963 NE ARG B1111 -8.132 10.982 4.691 1.00 0.00 N ATOM 964 CZ ARG B1111 -8.586 12.207 4.961 1.00 0.00 C ATOM 965 NH1 ARG B1111 -8.833 13.054 3.994 1.00 0.00 N ATOM 966 NH2 ARG B1111 -8.788 12.566 6.201 1.00 0.00 N ATOM 0 H ARG B1111 -4.568 9.104 2.137 1.00 0.00 H new ATOM 0 HA ARG B1111 -6.215 6.864 2.591 1.00 0.00 H new ATOM 0 HB2 ARG B1111 -6.628 9.561 1.220 1.00 0.00 H new ATOM 0 HB3 ARG B1111 -7.939 8.428 1.485 1.00 0.00 H new ATOM 0 HG2 ARG B1111 -7.604 8.490 3.914 1.00 0.00 H new ATOM 0 HG3 ARG B1111 -6.115 9.399 3.741 1.00 0.00 H new ATOM 0 HD2 ARG B1111 -7.352 11.316 2.776 1.00 0.00 H new ATOM 0 HD3 ARG B1111 -8.848 10.404 2.809 1.00 0.00 H new ATOM 0 HE ARG B1111 -7.946 10.338 5.460 1.00 0.00 H new ATOM 0 HH11 ARG B1111 -8.679 12.780 3.024 1.00 0.00 H new ATOM 0 HH12 ARG B1111 -9.180 13.988 4.211 1.00 0.00 H new ATOM 0 HH21 ARG B1111 -8.599 11.910 6.959 1.00 0.00 H new ATOM 0 HH22 ARG B1111 -9.135 13.502 6.411 1.00 0.00 H new ATOM 980 N GLU B1112 -5.438 7.503 -0.550 1.00 0.00 N ATOM 981 CA GLU B1112 -5.435 6.929 -1.887 1.00 0.00 C ATOM 982 C GLU B1112 -4.635 5.631 -1.900 1.00 0.00 C ATOM 983 O GLU B1112 -5.032 4.657 -2.542 1.00 0.00 O ATOM 984 CB GLU B1112 -4.822 7.911 -2.878 1.00 0.00 C ATOM 985 CG GLU B1112 -5.773 9.093 -3.073 1.00 0.00 C ATOM 986 CD GLU B1112 -5.096 10.181 -3.903 1.00 0.00 C ATOM 987 OE1 GLU B1112 -3.884 10.132 -4.032 1.00 0.00 O ATOM 988 OE2 GLU B1112 -5.799 11.048 -4.398 1.00 0.00 O ATOM 0 H GLU B1112 -4.936 8.387 -0.464 1.00 0.00 H new ATOM 0 HA GLU B1112 -6.465 6.720 -2.177 1.00 0.00 H new ATOM 0 HB2 GLU B1112 -3.858 8.262 -2.510 1.00 0.00 H new ATOM 0 HB3 GLU B1112 -4.638 7.416 -3.832 1.00 0.00 H new ATOM 0 HG2 GLU B1112 -6.683 8.759 -3.571 1.00 0.00 H new ATOM 0 HG3 GLU B1112 -6.069 9.495 -2.104 1.00 0.00 H new ATOM 995 N GLU B1113 -3.506 5.622 -1.183 1.00 0.00 N ATOM 996 CA GLU B1113 -2.668 4.434 -1.124 1.00 0.00 C ATOM 997 C GLU B1113 -3.436 3.279 -0.496 1.00 0.00 C ATOM 998 O GLU B1113 -3.337 2.138 -0.946 1.00 0.00 O ATOM 999 CB GLU B1113 -1.407 4.730 -0.308 1.00 0.00 C ATOM 1000 CG GLU B1113 -0.536 3.475 -0.234 1.00 0.00 C ATOM 1001 CD GLU B1113 -0.110 3.055 -1.635 1.00 0.00 C ATOM 1002 OE1 GLU B1113 -0.104 3.903 -2.511 1.00 0.00 O ATOM 1003 OE2 GLU B1113 0.201 1.888 -1.812 1.00 0.00 O ATOM 0 H GLU B1113 -3.160 6.416 -0.644 1.00 0.00 H new ATOM 0 HA GLU B1113 -2.381 4.153 -2.137 1.00 0.00 H new ATOM 0 HB2 GLU B1113 -0.848 5.546 -0.767 1.00 0.00 H new ATOM 0 HB3 GLU B1113 -1.680 5.055 0.696 1.00 0.00 H new ATOM 0 HG2 GLU B1113 0.344 3.668 0.380 1.00 0.00 H new ATOM 0 HG3 GLU B1113 -1.088 2.667 0.245 1.00 0.00 H new ATOM 1010 N PHE B1114 -4.193 3.583 0.546 1.00 0.00 N ATOM 1011 CA PHE B1114 -4.970 2.562 1.233 1.00 0.00 C ATOM 1012 C PHE B1114 -6.029 1.979 0.305 1.00 0.00 C ATOM 1013 O PHE B1114 -6.206 0.769 0.251 1.00 0.00 O ATOM 1014 CB PHE B1114 -5.651 3.159 2.466 1.00 0.00 C ATOM 1015 CG PHE B1114 -4.703 3.128 3.645 1.00 0.00 C ATOM 1016 CD1 PHE B1114 -3.327 3.306 3.445 1.00 0.00 C ATOM 1017 CD2 PHE B1114 -5.199 2.920 4.939 1.00 0.00 C ATOM 1018 CE1 PHE B1114 -2.449 3.274 4.538 1.00 0.00 C ATOM 1019 CE2 PHE B1114 -4.319 2.890 6.028 1.00 0.00 C ATOM 1020 CZ PHE B1114 -2.946 3.066 5.827 1.00 0.00 C ATOM 0 H PHE B1114 -4.286 4.522 0.933 1.00 0.00 H new ATOM 0 HA PHE B1114 -4.291 1.767 1.541 1.00 0.00 H new ATOM 0 HB2 PHE B1114 -5.957 4.185 2.262 1.00 0.00 H new ATOM 0 HB3 PHE B1114 -6.555 2.597 2.701 1.00 0.00 H new ATOM 0 HD1 PHE B1114 -2.943 3.468 2.449 1.00 0.00 H new ATOM 0 HD2 PHE B1114 -6.259 2.783 5.096 1.00 0.00 H new ATOM 0 HE1 PHE B1114 -1.389 3.410 4.383 1.00 0.00 H new ATOM 0 HE2 PHE B1114 -4.701 2.731 7.025 1.00 0.00 H new ATOM 0 HZ PHE B1114 -2.270 3.041 6.669 1.00 0.00 H new ATOM 1030 N HIS B1115 -6.724 2.844 -0.425 1.00 0.00 N ATOM 1031 CA HIS B1115 -7.755 2.393 -1.342 1.00 0.00 C ATOM 1032 C HIS B1115 -7.160 1.488 -2.417 1.00 0.00 C ATOM 1033 O HIS B1115 -7.696 0.419 -2.705 1.00 0.00 O ATOM 1034 CB HIS B1115 -8.418 3.603 -2.002 1.00 0.00 C ATOM 1035 CG HIS B1115 -9.587 3.146 -2.822 1.00 0.00 C ATOM 1036 ND1 HIS B1115 -10.140 3.919 -3.831 1.00 0.00 N ATOM 1037 CD2 HIS B1115 -10.323 1.996 -2.782 1.00 0.00 C ATOM 1038 CE1 HIS B1115 -11.167 3.226 -4.354 1.00 0.00 C ATOM 1039 NE2 HIS B1115 -11.324 2.043 -3.751 1.00 0.00 N ATOM 0 H HIS B1115 -6.591 3.855 -0.398 1.00 0.00 H new ATOM 0 HA HIS B1115 -8.498 1.826 -0.780 1.00 0.00 H new ATOM 0 HB2 HIS B1115 -8.748 4.310 -1.241 1.00 0.00 H new ATOM 0 HB3 HIS B1115 -7.699 4.126 -2.633 1.00 0.00 H new ATOM 0 HD2 HIS B1115 -10.155 1.174 -2.102 1.00 0.00 H new ATOM 0 HE1 HIS B1115 -11.789 3.582 -5.162 1.00 0.00 H new ATOM 0 HE2 HIS B1115 -12.024 1.330 -3.956 1.00 0.00 H new ATOM 1047 N ARG B1116 -6.055 1.927 -3.012 1.00 0.00 N ATOM 1048 CA ARG B1116 -5.410 1.145 -4.062 1.00 0.00 C ATOM 1049 C ARG B1116 -4.928 -0.193 -3.518 1.00 0.00 C ATOM 1050 O ARG B1116 -5.103 -1.232 -4.156 1.00 0.00 O ATOM 1051 CB ARG B1116 -4.223 1.929 -4.626 1.00 0.00 C ATOM 1052 CG ARG B1116 -4.718 3.188 -5.347 1.00 0.00 C ATOM 1053 CD ARG B1116 -5.424 2.790 -6.643 1.00 0.00 C ATOM 1054 NE ARG B1116 -5.751 3.970 -7.428 1.00 0.00 N ATOM 1055 CZ ARG B1116 -6.394 3.870 -8.590 1.00 0.00 C ATOM 1056 NH1 ARG B1116 -6.748 2.697 -9.057 1.00 0.00 N ATOM 1057 NH2 ARG B1116 -6.675 4.948 -9.270 1.00 0.00 N ATOM 0 H ARG B1116 -5.592 2.808 -2.789 1.00 0.00 H new ATOM 0 HA ARG B1116 -6.136 0.956 -4.853 1.00 0.00 H new ATOM 0 HB2 ARG B1116 -3.544 2.206 -3.820 1.00 0.00 H new ATOM 0 HB3 ARG B1116 -3.659 1.303 -5.317 1.00 0.00 H new ATOM 0 HG2 ARG B1116 -5.401 3.743 -4.704 1.00 0.00 H new ATOM 0 HG3 ARG B1116 -3.879 3.848 -5.566 1.00 0.00 H new ATOM 0 HD2 ARG B1116 -4.784 2.126 -7.224 1.00 0.00 H new ATOM 0 HD3 ARG B1116 -6.334 2.235 -6.413 1.00 0.00 H new ATOM 0 HE ARG B1116 -5.483 4.891 -7.082 1.00 0.00 H new ATOM 0 HH11 ARG B1116 -6.531 1.851 -8.529 1.00 0.00 H new ATOM 0 HH12 ARG B1116 -7.240 2.630 -9.948 1.00 0.00 H new ATOM 0 HH21 ARG B1116 -6.402 5.863 -8.911 1.00 0.00 H new ATOM 0 HH22 ARG B1116 -7.167 4.875 -10.160 1.00 0.00 H new ATOM 1071 N ARG B1117 -4.335 -0.161 -2.330 1.00 0.00 N ATOM 1072 CA ARG B1117 -3.849 -1.383 -1.705 1.00 0.00 C ATOM 1073 C ARG B1117 -5.002 -2.324 -1.392 1.00 0.00 C ATOM 1074 O ARG B1117 -4.905 -3.534 -1.596 1.00 0.00 O ATOM 1075 CB ARG B1117 -3.080 -1.049 -0.424 1.00 0.00 C ATOM 1076 CG ARG B1117 -1.689 -0.522 -0.788 1.00 0.00 C ATOM 1077 CD ARG B1117 -0.839 -0.441 0.476 1.00 0.00 C ATOM 1078 NE ARG B1117 0.552 -0.145 0.144 1.00 0.00 N ATOM 1079 CZ ARG B1117 1.527 -0.335 1.029 1.00 0.00 C ATOM 1080 NH1 ARG B1117 1.266 -0.790 2.229 1.00 0.00 N ATOM 1081 NH2 ARG B1117 2.755 -0.072 0.692 1.00 0.00 N ATOM 0 H ARG B1117 -4.181 0.688 -1.786 1.00 0.00 H new ATOM 0 HA ARG B1117 -3.178 -1.883 -2.403 1.00 0.00 H new ATOM 0 HB2 ARG B1117 -3.624 -0.303 0.155 1.00 0.00 H new ATOM 0 HB3 ARG B1117 -2.992 -1.937 0.202 1.00 0.00 H new ATOM 0 HG2 ARG B1117 -1.217 -1.180 -1.517 1.00 0.00 H new ATOM 0 HG3 ARG B1117 -1.769 0.462 -1.251 1.00 0.00 H new ATOM 0 HD2 ARG B1117 -1.233 0.332 1.136 1.00 0.00 H new ATOM 0 HD3 ARG B1117 -0.896 -1.384 1.020 1.00 0.00 H new ATOM 0 HE ARG B1117 0.780 0.214 -0.783 1.00 0.00 H new ATOM 0 HH11 ARG B1117 0.305 -1.004 2.496 1.00 0.00 H new ATOM 0 HH12 ARG B1117 2.024 -0.931 2.897 1.00 0.00 H new ATOM 0 HH21 ARG B1117 2.964 0.277 -0.244 1.00 0.00 H new ATOM 0 HH22 ARG B1117 3.510 -0.214 1.363 1.00 0.00 H new ATOM 1095 N LEU B1118 -6.101 -1.761 -0.900 1.00 0.00 N ATOM 1096 CA LEU B1118 -7.274 -2.562 -0.573 1.00 0.00 C ATOM 1097 C LEU B1118 -7.853 -3.208 -1.823 1.00 0.00 C ATOM 1098 O LEU B1118 -8.271 -4.365 -1.798 1.00 0.00 O ATOM 1099 CB LEU B1118 -8.333 -1.682 0.094 1.00 0.00 C ATOM 1100 CG LEU B1118 -7.882 -1.320 1.511 1.00 0.00 C ATOM 1101 CD1 LEU B1118 -8.768 -0.200 2.060 1.00 0.00 C ATOM 1102 CD2 LEU B1118 -8.010 -2.549 2.408 1.00 0.00 C ATOM 0 H LEU B1118 -6.203 -0.762 -0.720 1.00 0.00 H new ATOM 0 HA LEU B1118 -6.972 -3.352 0.115 1.00 0.00 H new ATOM 0 HB2 LEU B1118 -8.489 -0.776 -0.492 1.00 0.00 H new ATOM 0 HB3 LEU B1118 -9.288 -2.207 0.128 1.00 0.00 H new ATOM 0 HG LEU B1118 -6.845 -0.985 1.489 1.00 0.00 H new ATOM 0 HD11 LEU B1118 -8.446 0.057 3.069 1.00 0.00 H new ATOM 0 HD12 LEU B1118 -8.685 0.677 1.418 1.00 0.00 H new ATOM 0 HD13 LEU B1118 -9.805 -0.535 2.084 1.00 0.00 H new ATOM 0 HD21 LEU B1118 -7.690 -2.297 3.419 1.00 0.00 H new ATOM 0 HD22 LEU B1118 -9.049 -2.878 2.428 1.00 0.00 H new ATOM 0 HD23 LEU B1118 -7.383 -3.351 2.018 1.00 0.00 H new ATOM 1114 N LYS B1119 -7.876 -2.454 -2.917 1.00 0.00 N ATOM 1115 CA LYS B1119 -8.408 -2.969 -4.172 1.00 0.00 C ATOM 1116 C LYS B1119 -7.598 -4.175 -4.643 1.00 0.00 C ATOM 1117 O LYS B1119 -8.158 -5.197 -5.039 1.00 0.00 O ATOM 1118 CB LYS B1119 -8.354 -1.882 -5.243 1.00 0.00 C ATOM 1119 CG LYS B1119 -8.959 -2.410 -6.551 1.00 0.00 C ATOM 1120 CD LYS B1119 -8.758 -1.385 -7.666 1.00 0.00 C ATOM 1121 CE LYS B1119 -7.301 -1.425 -8.130 1.00 0.00 C ATOM 1122 NZ LYS B1119 -7.115 -0.482 -9.270 1.00 0.00 N ATOM 0 H LYS B1119 -7.536 -1.493 -2.960 1.00 0.00 H new ATOM 0 HA LYS B1119 -9.441 -3.275 -4.007 1.00 0.00 H new ATOM 0 HB2 LYS B1119 -8.902 -1.001 -4.908 1.00 0.00 H new ATOM 0 HB3 LYS B1119 -7.322 -1.572 -5.408 1.00 0.00 H new ATOM 0 HG2 LYS B1119 -8.489 -3.355 -6.824 1.00 0.00 H new ATOM 0 HG3 LYS B1119 -10.022 -2.610 -6.416 1.00 0.00 H new ATOM 0 HD2 LYS B1119 -9.424 -1.603 -8.501 1.00 0.00 H new ATOM 0 HD3 LYS B1119 -9.011 -0.387 -7.309 1.00 0.00 H new ATOM 0 HE2 LYS B1119 -6.639 -1.153 -7.308 1.00 0.00 H new ATOM 0 HE3 LYS B1119 -7.033 -2.437 -8.434 1.00 0.00 H new ATOM 0 HZ1 LYS B1119 -6.124 -0.170 -9.304 1.00 0.00 H new ATOM 0 HZ2 LYS B1119 -7.358 -0.962 -10.160 1.00 0.00 H new ATOM 0 HZ3 LYS B1119 -7.734 0.344 -9.142 1.00 0.00 H new ATOM 1136 N VAL B1120 -6.274 -4.048 -4.593 1.00 0.00 N ATOM 1137 CA VAL B1120 -5.398 -5.129 -5.018 1.00 0.00 C ATOM 1138 C VAL B1120 -5.620 -6.355 -4.144 1.00 0.00 C ATOM 1139 O VAL B1120 -5.634 -7.486 -4.629 1.00 0.00 O ATOM 1140 CB VAL B1120 -3.935 -4.687 -4.930 1.00 0.00 C ATOM 1141 CG1 VAL B1120 -3.019 -5.887 -5.181 1.00 0.00 C ATOM 1142 CG2 VAL B1120 -3.666 -3.612 -5.985 1.00 0.00 C ATOM 0 H VAL B1120 -5.790 -3.212 -4.264 1.00 0.00 H new ATOM 0 HA VAL B1120 -5.631 -5.382 -6.052 1.00 0.00 H new ATOM 0 HB VAL B1120 -3.737 -4.283 -3.937 1.00 0.00 H new ATOM 0 HG11 VAL B1120 -1.978 -5.570 -5.118 1.00 0.00 H new ATOM 0 HG12 VAL B1120 -3.211 -6.654 -4.431 1.00 0.00 H new ATOM 0 HG13 VAL B1120 -3.215 -6.293 -6.173 1.00 0.00 H new ATOM 0 HG21 VAL B1120 -2.625 -3.295 -5.925 1.00 0.00 H new ATOM 0 HG22 VAL B1120 -3.865 -4.018 -6.977 1.00 0.00 H new ATOM 0 HG23 VAL B1120 -4.317 -2.756 -5.806 1.00 0.00 H new ATOM 1152 N TYR B1121 -5.795 -6.122 -2.850 1.00 0.00 N ATOM 1153 CA TYR B1121 -6.017 -7.215 -1.910 1.00 0.00 C ATOM 1154 C TYR B1121 -7.260 -8.003 -2.301 1.00 0.00 C ATOM 1155 O TYR B1121 -7.241 -9.233 -2.346 1.00 0.00 O ATOM 1156 CB TYR B1121 -6.181 -6.662 -0.492 1.00 0.00 C ATOM 1157 CG TYR B1121 -6.497 -7.793 0.458 1.00 0.00 C ATOM 1158 CD1 TYR B1121 -5.472 -8.631 0.919 1.00 0.00 C ATOM 1159 CD2 TYR B1121 -7.815 -8.005 0.878 1.00 0.00 C ATOM 1160 CE1 TYR B1121 -5.767 -9.676 1.800 1.00 0.00 C ATOM 1161 CE2 TYR B1121 -8.110 -9.052 1.760 1.00 0.00 C ATOM 1162 CZ TYR B1121 -7.086 -9.888 2.220 1.00 0.00 C ATOM 1163 OH TYR B1121 -7.377 -10.920 3.089 1.00 0.00 O ATOM 0 H TYR B1121 -5.788 -5.193 -2.428 1.00 0.00 H new ATOM 0 HA TYR B1121 -5.153 -7.879 -1.938 1.00 0.00 H new ATOM 0 HB2 TYR B1121 -5.267 -6.156 -0.180 1.00 0.00 H new ATOM 0 HB3 TYR B1121 -6.980 -5.921 -0.470 1.00 0.00 H new ATOM 0 HD1 TYR B1121 -4.455 -8.469 0.594 1.00 0.00 H new ATOM 0 HD2 TYR B1121 -8.605 -7.361 0.522 1.00 0.00 H new ATOM 0 HE1 TYR B1121 -4.977 -10.320 2.157 1.00 0.00 H new ATOM 0 HE2 TYR B1121 -9.127 -9.214 2.085 1.00 0.00 H new ATOM 0 HH TYR B1121 -7.020 -11.759 2.731 1.00 0.00 H new ATOM 1173 N HIS B1122 -8.340 -7.286 -2.589 1.00 0.00 N ATOM 1174 CA HIS B1122 -9.586 -7.932 -2.981 1.00 0.00 C ATOM 1175 C HIS B1122 -9.382 -8.731 -4.263 1.00 0.00 C ATOM 1176 O HIS B1122 -9.860 -9.860 -4.383 1.00 0.00 O ATOM 1177 CB HIS B1122 -10.671 -6.878 -3.200 1.00 0.00 C ATOM 1178 CG HIS B1122 -11.127 -6.337 -1.874 1.00 0.00 C ATOM 1179 ND1 HIS B1122 -11.970 -5.241 -1.770 1.00 0.00 N ATOM 1180 CD2 HIS B1122 -10.870 -6.734 -0.585 1.00 0.00 C ATOM 1181 CE1 HIS B1122 -12.187 -5.019 -0.461 1.00 0.00 C ATOM 1182 NE2 HIS B1122 -11.539 -5.900 0.305 1.00 0.00 N ATOM 0 H HIS B1122 -8.378 -6.267 -2.559 1.00 0.00 H new ATOM 0 HA HIS B1122 -9.896 -8.609 -2.185 1.00 0.00 H new ATOM 0 HB2 HIS B1122 -10.286 -6.069 -3.821 1.00 0.00 H new ATOM 0 HB3 HIS B1122 -11.514 -7.316 -3.734 1.00 0.00 H new ATOM 0 HD2 HIS B1122 -10.243 -7.568 -0.304 1.00 0.00 H new ATOM 0 HE1 HIS B1122 -12.810 -4.225 -0.076 1.00 0.00 H new ATOM 0 HE2 HIS B1122 -11.535 -5.951 1.324 1.00 0.00 H new ATOM 1190 N ALA B1123 -8.658 -8.148 -5.213 1.00 0.00 N ATOM 1191 CA ALA B1123 -8.390 -8.831 -6.472 1.00 0.00 C ATOM 1192 C ALA B1123 -7.587 -10.113 -6.222 1.00 0.00 C ATOM 1193 O ALA B1123 -7.880 -11.155 -6.806 1.00 0.00 O ATOM 1194 CB ALA B1123 -7.613 -7.906 -7.409 1.00 0.00 C ATOM 0 H ALA B1123 -8.251 -7.216 -5.137 1.00 0.00 H new ATOM 0 HA ALA B1123 -9.340 -9.097 -6.936 1.00 0.00 H new ATOM 0 HB1 ALA B1123 -7.416 -8.422 -8.349 1.00 0.00 H new ATOM 0 HB2 ALA B1123 -8.201 -7.009 -7.604 1.00 0.00 H new ATOM 0 HB3 ALA B1123 -6.668 -7.626 -6.943 1.00 0.00 H new ATOM 1200 N TRP B1124 -6.581 -10.029 -5.344 1.00 0.00 N ATOM 1201 CA TRP B1124 -5.758 -11.176 -5.027 1.00 0.00 C ATOM 1202 C TRP B1124 -6.611 -12.278 -4.419 1.00 0.00 C ATOM 1203 O TRP B1124 -6.494 -13.443 -4.792 1.00 0.00 O ATOM 1204 CB TRP B1124 -4.650 -10.757 -4.060 1.00 0.00 C ATOM 1205 CG TRP B1124 -3.879 -11.961 -3.655 1.00 0.00 C ATOM 1206 CD1 TRP B1124 -2.954 -12.567 -4.418 1.00 0.00 C ATOM 1207 CD2 TRP B1124 -3.932 -12.700 -2.406 1.00 0.00 C ATOM 1208 NE1 TRP B1124 -2.433 -13.652 -3.723 1.00 0.00 N ATOM 1209 CE2 TRP B1124 -3.012 -13.776 -2.474 1.00 0.00 C ATOM 1210 CE3 TRP B1124 -4.691 -12.550 -1.239 1.00 0.00 C ATOM 1211 CZ2 TRP B1124 -2.845 -14.664 -1.410 1.00 0.00 C ATOM 1212 CZ3 TRP B1124 -4.525 -13.440 -0.165 1.00 0.00 C ATOM 1213 CH2 TRP B1124 -3.607 -14.497 -0.252 1.00 0.00 C ATOM 0 H TRP B1124 -6.326 -9.175 -4.847 1.00 0.00 H new ATOM 0 HA TRP B1124 -5.303 -11.560 -5.940 1.00 0.00 H new ATOM 0 HB2 TRP B1124 -3.991 -10.030 -4.535 1.00 0.00 H new ATOM 0 HB3 TRP B1124 -5.079 -10.272 -3.183 1.00 0.00 H new ATOM 0 HD1 TRP B1124 -2.662 -12.260 -5.412 1.00 0.00 H new ATOM 0 HE1 TRP B1124 -1.715 -14.277 -4.088 1.00 0.00 H new ATOM 0 HE3 TRP B1124 -5.408 -11.746 -1.164 1.00 0.00 H new ATOM 0 HZ2 TRP B1124 -2.133 -15.473 -1.482 1.00 0.00 H new ATOM 0 HZ3 TRP B1124 -5.108 -13.309 0.734 1.00 0.00 H new ATOM 0 HH2 TRP B1124 -3.490 -15.181 0.576 1.00 0.00 H new ATOM 1224 N LYS B1125 -7.472 -11.896 -3.482 1.00 0.00 N ATOM 1225 CA LYS B1125 -8.354 -12.855 -2.828 1.00 0.00 C ATOM 1226 C LYS B1125 -9.294 -13.488 -3.830 1.00 0.00 C ATOM 1227 O LYS B1125 -9.589 -14.673 -3.746 1.00 0.00 O ATOM 1228 CB LYS B1125 -9.159 -12.163 -1.721 1.00 0.00 C ATOM 1229 CG LYS B1125 -8.253 -11.874 -0.522 1.00 0.00 C ATOM 1230 CD LYS B1125 -8.009 -13.170 0.245 1.00 0.00 C ATOM 1231 CE LYS B1125 -9.027 -13.295 1.383 1.00 0.00 C ATOM 1232 NZ LYS B1125 -8.790 -14.566 2.127 1.00 0.00 N ATOM 0 H LYS B1125 -7.578 -10.934 -3.160 1.00 0.00 H new ATOM 0 HA LYS B1125 -7.739 -13.639 -2.386 1.00 0.00 H new ATOM 0 HB2 LYS B1125 -9.587 -11.234 -2.097 1.00 0.00 H new ATOM 0 HB3 LYS B1125 -9.992 -12.796 -1.415 1.00 0.00 H new ATOM 0 HG2 LYS B1125 -7.306 -11.453 -0.860 1.00 0.00 H new ATOM 0 HG3 LYS B1125 -8.717 -11.133 0.130 1.00 0.00 H new ATOM 0 HD2 LYS B1125 -8.094 -14.024 -0.428 1.00 0.00 H new ATOM 0 HD3 LYS B1125 -6.996 -13.181 0.647 1.00 0.00 H new ATOM 0 HE2 LYS B1125 -8.939 -12.444 2.059 1.00 0.00 H new ATOM 0 HE3 LYS B1125 -10.040 -13.280 0.982 1.00 0.00 H new ATOM 0 HZ1 LYS B1125 -9.481 -14.650 2.899 1.00 0.00 H new ATOM 0 HZ2 LYS B1125 -8.895 -15.372 1.479 1.00 0.00 H new ATOM 0 HZ3 LYS B1125 -7.828 -14.563 2.522 1.00 0.00 H new ATOM 1246 N SER B1126 -9.759 -12.691 -4.768 1.00 0.00 N ATOM 1247 CA SER B1126 -10.667 -13.182 -5.799 1.00 0.00 C ATOM 1248 C SER B1126 -9.978 -14.248 -6.645 1.00 0.00 C ATOM 1249 O SER B1126 -10.596 -15.238 -7.023 1.00 0.00 O ATOM 1250 CB SER B1126 -11.124 -12.037 -6.701 1.00 0.00 C ATOM 1251 OG SER B1126 -11.922 -11.136 -5.948 1.00 0.00 O ATOM 0 H SER B1126 -9.528 -11.700 -4.844 1.00 0.00 H new ATOM 0 HA SER B1126 -11.537 -13.617 -5.307 1.00 0.00 H new ATOM 0 HB2 SER B1126 -10.260 -11.517 -7.114 1.00 0.00 H new ATOM 0 HB3 SER B1126 -11.694 -12.428 -7.544 1.00 0.00 H new ATOM 0 HG SER B1126 -11.349 -10.614 -5.348 1.00 0.00 H new ATOM 1382 N GLU A 47 0.770 -17.966 0.229 1.00 0.00 N ATOM 1383 CA GLU A 47 -0.392 -17.150 -0.100 1.00 0.00 C ATOM 1384 C GLU A 47 -0.575 -16.028 0.918 1.00 0.00 C ATOM 1385 O GLU A 47 -0.853 -14.883 0.557 1.00 0.00 O ATOM 1386 CB GLU A 47 -1.650 -18.021 -0.124 1.00 0.00 C ATOM 1387 CG GLU A 47 -1.612 -18.945 -1.342 1.00 0.00 C ATOM 1388 CD GLU A 47 -2.829 -19.869 -1.339 1.00 0.00 C ATOM 1389 OE1 GLU A 47 -3.532 -19.888 -0.342 1.00 0.00 O ATOM 1390 OE2 GLU A 47 -3.040 -20.541 -2.336 1.00 0.00 O ATOM 0 HA GLU A 47 -0.230 -16.709 -1.083 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -1.714 -18.611 0.790 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -2.539 -17.392 -0.160 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -1.598 -18.353 -2.257 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -0.697 -19.537 -1.331 1.00 0.00 H new ATOM 1397 N ASN A 48 -0.412 -16.361 2.191 1.00 0.00 N ATOM 1398 CA ASN A 48 -0.567 -15.371 3.248 1.00 0.00 C ATOM 1399 C ASN A 48 0.462 -14.259 3.084 1.00 0.00 C ATOM 1400 O ASN A 48 0.164 -13.085 3.289 1.00 0.00 O ATOM 1401 CB ASN A 48 -0.390 -16.034 4.616 1.00 0.00 C ATOM 1402 CG ASN A 48 -1.561 -16.972 4.894 1.00 0.00 C ATOM 1403 OD1 ASN A 48 -1.357 -18.125 5.275 1.00 0.00 O ATOM 1404 ND2 ASN A 48 -2.780 -16.549 4.710 1.00 0.00 N ATOM 0 H ASN A 48 -0.175 -17.299 2.515 1.00 0.00 H new ATOM 0 HA ASN A 48 -1.567 -14.944 3.181 1.00 0.00 H new ATOM 0 HB2 ASN A 48 0.547 -16.590 4.642 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -0.330 -15.273 5.394 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -3.568 -17.174 4.882 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -2.946 -15.593 4.394 1.00 0.00 H new ATOM 1411 N ASP A 49 1.676 -14.638 2.711 1.00 0.00 N ATOM 1412 CA ASP A 49 2.744 -13.658 2.526 1.00 0.00 C ATOM 1413 C ASP A 49 2.390 -12.690 1.403 1.00 0.00 C ATOM 1414 O ASP A 49 2.637 -11.489 1.507 1.00 0.00 O ATOM 1415 CB ASP A 49 4.058 -14.371 2.193 1.00 0.00 C ATOM 1416 CG ASP A 49 5.212 -13.374 2.199 1.00 0.00 C ATOM 1417 OD1 ASP A 49 4.948 -12.191 2.332 1.00 0.00 O ATOM 1418 OD2 ASP A 49 6.345 -13.809 2.066 1.00 0.00 O ATOM 0 H ASP A 49 1.947 -15.605 2.532 1.00 0.00 H new ATOM 0 HA ASP A 49 2.862 -13.097 3.453 1.00 0.00 H new ATOM 0 HB2 ASP A 49 4.246 -15.161 2.920 1.00 0.00 H new ATOM 0 HB3 ASP A 49 3.984 -14.848 1.216 1.00 0.00 H new ATOM 1423 N GLU A 50 1.816 -13.221 0.328 1.00 0.00 N ATOM 1424 CA GLU A 50 1.439 -12.388 -0.807 1.00 0.00 C ATOM 1425 C GLU A 50 0.396 -11.352 -0.388 1.00 0.00 C ATOM 1426 O GLU A 50 0.469 -10.184 -0.776 1.00 0.00 O ATOM 1427 CB GLU A 50 0.864 -13.264 -1.922 1.00 0.00 C ATOM 1428 CG GLU A 50 1.977 -14.131 -2.515 1.00 0.00 C ATOM 1429 CD GLU A 50 1.398 -15.082 -3.556 1.00 0.00 C ATOM 1430 OE1 GLU A 50 0.182 -15.166 -3.644 1.00 0.00 O ATOM 1431 OE2 GLU A 50 2.177 -15.713 -4.252 1.00 0.00 O ATOM 0 H GLU A 50 1.604 -14.213 0.220 1.00 0.00 H new ATOM 0 HA GLU A 50 2.328 -11.870 -1.167 1.00 0.00 H new ATOM 0 HB2 GLU A 50 0.067 -13.895 -1.529 1.00 0.00 H new ATOM 0 HB3 GLU A 50 0.422 -12.639 -2.698 1.00 0.00 H new ATOM 0 HG2 GLU A 50 2.738 -13.498 -2.972 1.00 0.00 H new ATOM 0 HG3 GLU A 50 2.467 -14.699 -1.724 1.00 0.00 H new ATOM 1438 N ALA A 51 -0.573 -11.787 0.416 1.00 0.00 N ATOM 1439 CA ALA A 51 -1.618 -10.882 0.883 1.00 0.00 C ATOM 1440 C ALA A 51 -1.017 -9.767 1.733 1.00 0.00 C ATOM 1441 O ALA A 51 -1.398 -8.602 1.606 1.00 0.00 O ATOM 1442 CB ALA A 51 -2.649 -11.654 1.703 1.00 0.00 C ATOM 0 H ALA A 51 -0.655 -12.746 0.753 1.00 0.00 H new ATOM 0 HA ALA A 51 -2.106 -10.439 0.015 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -3.425 -10.971 2.048 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -3.098 -12.431 1.084 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -2.161 -12.112 2.563 1.00 0.00 H new ATOM 1448 N PHE A 52 -0.069 -10.129 2.590 1.00 0.00 N ATOM 1449 CA PHE A 52 0.583 -9.146 3.445 1.00 0.00 C ATOM 1450 C PHE A 52 1.320 -8.116 2.603 1.00 0.00 C ATOM 1451 O PHE A 52 1.243 -6.920 2.872 1.00 0.00 O ATOM 1452 CB PHE A 52 1.572 -9.834 4.386 1.00 0.00 C ATOM 1453 CG PHE A 52 0.907 -10.112 5.713 1.00 0.00 C ATOM 1454 CD1 PHE A 52 0.169 -11.286 5.899 1.00 0.00 C ATOM 1455 CD2 PHE A 52 1.031 -9.191 6.761 1.00 0.00 C ATOM 1456 CE1 PHE A 52 -0.442 -11.538 7.130 1.00 0.00 C ATOM 1457 CE2 PHE A 52 0.421 -9.443 7.992 1.00 0.00 C ATOM 1458 CZ PHE A 52 -0.318 -10.620 8.177 1.00 0.00 C ATOM 0 H PHE A 52 0.262 -11.086 2.710 1.00 0.00 H new ATOM 0 HA PHE A 52 -0.184 -8.644 4.034 1.00 0.00 H new ATOM 0 HB2 PHE A 52 1.922 -10.766 3.942 1.00 0.00 H new ATOM 0 HB3 PHE A 52 2.448 -9.202 4.533 1.00 0.00 H new ATOM 0 HD1 PHE A 52 0.072 -11.997 5.092 1.00 0.00 H new ATOM 0 HD2 PHE A 52 1.599 -8.284 6.617 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -1.012 -12.444 7.273 1.00 0.00 H new ATOM 0 HE2 PHE A 52 0.518 -8.733 8.800 1.00 0.00 H new ATOM 0 HZ PHE A 52 -0.791 -10.817 9.128 1.00 0.00 H new ATOM 1468 N ALA A 53 2.028 -8.583 1.578 1.00 0.00 N ATOM 1469 CA ALA A 53 2.773 -7.679 0.709 1.00 0.00 C ATOM 1470 C ALA A 53 1.827 -6.675 0.055 1.00 0.00 C ATOM 1471 O ALA A 53 2.148 -5.491 -0.060 1.00 0.00 O ATOM 1472 CB ALA A 53 3.504 -8.484 -0.366 1.00 0.00 C ATOM 0 H ALA A 53 2.101 -9.570 1.331 1.00 0.00 H new ATOM 0 HA ALA A 53 3.502 -7.133 1.308 1.00 0.00 H new ATOM 0 HB1 ALA A 53 4.060 -7.806 -1.014 1.00 0.00 H new ATOM 0 HB2 ALA A 53 4.195 -9.181 0.108 1.00 0.00 H new ATOM 0 HB3 ALA A 53 2.779 -9.040 -0.960 1.00 0.00 H new ATOM 1478 N ILE A 54 0.669 -7.151 -0.368 1.00 0.00 N ATOM 1479 CA ILE A 54 -0.308 -6.279 -1.003 1.00 0.00 C ATOM 1480 C ILE A 54 -0.740 -5.171 -0.050 1.00 0.00 C ATOM 1481 O ILE A 54 -0.917 -4.022 -0.455 1.00 0.00 O ATOM 1482 CB ILE A 54 -1.530 -7.090 -1.432 1.00 0.00 C ATOM 1483 CG1 ILE A 54 -1.155 -8.015 -2.592 1.00 0.00 C ATOM 1484 CG2 ILE A 54 -2.647 -6.145 -1.872 1.00 0.00 C ATOM 1485 CD1 ILE A 54 -2.300 -8.989 -2.861 1.00 0.00 C ATOM 0 H ILE A 54 0.382 -8.126 -0.285 1.00 0.00 H new ATOM 0 HA ILE A 54 0.155 -5.827 -1.880 1.00 0.00 H new ATOM 0 HB ILE A 54 -1.875 -7.690 -0.590 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -0.946 -7.427 -3.486 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -0.245 -8.565 -2.352 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -3.517 -6.727 -2.177 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -2.920 -5.493 -1.042 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -2.303 -5.540 -2.711 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -2.031 -9.647 -3.687 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -2.487 -9.586 -1.968 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -3.200 -8.430 -3.120 1.00 0.00 H new ATOM 1497 N LEU A 55 -0.935 -5.530 1.209 1.00 0.00 N ATOM 1498 CA LEU A 55 -1.365 -4.566 2.212 1.00 0.00 C ATOM 1499 C LEU A 55 -0.204 -4.118 3.092 1.00 0.00 C ATOM 1500 O LEU A 55 -0.402 -3.731 4.247 1.00 0.00 O ATOM 1501 CB LEU A 55 -2.467 -5.181 3.072 1.00 0.00 C ATOM 1502 CG LEU A 55 -3.731 -5.386 2.229 1.00 0.00 C ATOM 1503 CD1 LEU A 55 -4.759 -6.184 3.033 1.00 0.00 C ATOM 1504 CD2 LEU A 55 -4.326 -4.027 1.856 1.00 0.00 C ATOM 0 H LEU A 55 -0.803 -6.478 1.561 1.00 0.00 H new ATOM 0 HA LEU A 55 -1.748 -3.686 1.696 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -2.133 -6.135 3.480 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -2.685 -4.531 3.919 1.00 0.00 H new ATOM 0 HG LEU A 55 -3.473 -5.932 1.322 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -5.657 -6.329 2.433 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -4.339 -7.154 3.299 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -5.014 -5.638 3.941 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -5.224 -4.175 1.257 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -4.581 -3.480 2.764 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -3.597 -3.456 1.281 1.00 0.00 H new ATOM 1516 N ASP A 56 1.004 -4.160 2.546 1.00 0.00 N ATOM 1517 CA ASP A 56 2.182 -3.738 3.303 1.00 0.00 C ATOM 1518 C ASP A 56 3.251 -3.185 2.369 1.00 0.00 C ATOM 1519 O ASP A 56 3.626 -2.014 2.453 1.00 0.00 O ATOM 1520 CB ASP A 56 2.752 -4.924 4.076 1.00 0.00 C ATOM 1521 CG ASP A 56 3.711 -4.437 5.152 1.00 0.00 C ATOM 1522 OD1 ASP A 56 3.634 -3.272 5.502 1.00 0.00 O ATOM 1523 OD2 ASP A 56 4.507 -5.238 5.610 1.00 0.00 O ATOM 0 H ASP A 56 1.196 -4.477 1.596 1.00 0.00 H new ATOM 0 HA ASP A 56 1.881 -2.955 3.999 1.00 0.00 H new ATOM 0 HB2 ASP A 56 1.942 -5.494 4.531 1.00 0.00 H new ATOM 0 HB3 ASP A 56 3.271 -5.597 3.393 1.00 0.00 H new ATOM 1528 N GLY A 57 3.730 -4.033 1.475 1.00 0.00 N ATOM 1529 CA GLY A 57 4.753 -3.618 0.515 1.00 0.00 C ATOM 1530 C GLY A 57 4.118 -3.016 -0.740 1.00 0.00 C ATOM 1531 O GLY A 57 4.825 -2.554 -1.638 1.00 0.00 O ATOM 0 H GLY A 57 3.434 -5.005 1.389 1.00 0.00 H new ATOM 0 HA2 GLY A 57 5.415 -2.886 0.978 1.00 0.00 H new ATOM 0 HA3 GLY A 57 5.367 -4.475 0.240 1.00 0.00 H new ATOM 1535 N GLY A 58 2.787 -3.024 -0.800 1.00 0.00 N ATOM 1536 CA GLY A 58 2.080 -2.477 -1.947 1.00 0.00 C ATOM 1537 C GLY A 58 2.283 -3.356 -3.175 1.00 0.00 C ATOM 1538 O GLY A 58 2.114 -2.902 -4.307 1.00 0.00 O ATOM 0 H GLY A 58 2.183 -3.402 -0.070 1.00 0.00 H new ATOM 0 HA2 GLY A 58 1.016 -2.399 -1.721 1.00 0.00 H new ATOM 0 HA3 GLY A 58 2.437 -1.468 -2.153 1.00 0.00 H new ATOM 1542 N ALA A 59 2.658 -4.612 -2.948 1.00 0.00 N ATOM 1543 CA ALA A 59 2.893 -5.531 -4.049 1.00 0.00 C ATOM 1544 C ALA A 59 1.576 -5.936 -4.708 1.00 0.00 C ATOM 1545 O ALA A 59 0.517 -5.848 -4.099 1.00 0.00 O ATOM 1546 CB ALA A 59 3.608 -6.784 -3.543 1.00 0.00 C ATOM 0 H ALA A 59 2.804 -5.010 -2.020 1.00 0.00 H new ATOM 0 HA ALA A 59 3.516 -5.024 -4.785 1.00 0.00 H new ATOM 0 HB1 ALA A 59 3.779 -7.466 -4.376 1.00 0.00 H new ATOM 0 HB2 ALA A 59 4.564 -6.504 -3.101 1.00 0.00 H new ATOM 0 HB3 ALA A 59 2.991 -7.277 -2.791 1.00 0.00 H new ATOM 1552 N PRO A 60 1.624 -6.380 -5.931 1.00 0.00 N ATOM 1553 CA PRO A 60 0.407 -6.818 -6.674 1.00 0.00 C ATOM 1554 C PRO A 60 -0.148 -8.140 -6.151 1.00 0.00 C ATOM 1555 O PRO A 60 -1.318 -8.462 -6.365 1.00 0.00 O ATOM 1556 CB PRO A 60 0.898 -6.958 -8.118 1.00 0.00 C ATOM 1557 CG PRO A 60 2.363 -7.222 -8.008 1.00 0.00 C ATOM 1558 CD PRO A 60 2.838 -6.513 -6.745 1.00 0.00 C ATOM 0 HA PRO A 60 -0.416 -6.111 -6.565 1.00 0.00 H new ATOM 0 HB2 PRO A 60 0.388 -7.774 -8.630 1.00 0.00 H new ATOM 0 HB3 PRO A 60 0.703 -6.051 -8.690 1.00 0.00 H new ATOM 0 HG2 PRO A 60 2.561 -8.292 -7.949 1.00 0.00 H new ATOM 0 HG3 PRO A 60 2.891 -6.848 -8.885 1.00 0.00 H new ATOM 0 HD2 PRO A 60 3.604 -7.091 -6.227 1.00 0.00 H new ATOM 0 HD3 PRO A 60 3.273 -5.540 -6.974 1.00 0.00 H new ATOM 1566 N GLY A 61 0.699 -8.902 -5.468 1.00 0.00 N ATOM 1567 CA GLY A 61 0.285 -10.186 -4.920 1.00 0.00 C ATOM 1568 C GLY A 61 1.368 -11.239 -5.133 1.00 0.00 C ATOM 1569 O GLY A 61 1.099 -12.206 -5.827 1.00 0.00 O ATOM 1570 OXT GLY A 61 2.450 -11.064 -4.598 1.00 0.00 O ATOM 0 H GLY A 61 1.671 -8.654 -5.282 1.00 0.00 H new ATOM 0 HA2 GLY A 61 0.077 -10.082 -3.855 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -0.641 -10.508 -5.396 1.00 0.00 H new