USER MOD reduce.3.24.130724 H: found=0, std=0, add=525, rem=0, adj=14 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 Set 1.1: B1057 GLN : amide:sc= -0.272 X(o=-0.27,f=-0.27) USER MOD Set 1.2: B1060 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: B1053 MET CE :methyl -171:sc= -2.63! (180deg=-3.07) USER MOD Set 2.2: B1091 TYR OH : rot 180:sc= -0.377 USER MOD Single : A 48 ASN : amide:sc= -0.27 X(o=-0.27,f=0) USER MOD Single : B1054 THR OG1 : rot 180:sc= -0.843 USER MOD Single : B1058 MET CE :methyl 173:sc= -1.77 (180deg=-2.22!) USER MOD Single : B1062 MET CE :methyl -168:sc= -3.14 (180deg=-4.16) USER MOD Single : B1063 SER OG : rot -36:sc= 1.1 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+ 180:sc= 0 (180deg=0) USER MOD Single : B1097 THR OG1 : rot -159:sc= 0.543 USER MOD Single : B1099 ASN : amide:sc= 1.2 K(o=1.2,f=-0.0085) USER MOD Single : B1100 THR OG1 : rot -81:sc= 0.697 USER MOD Single : B1101 SER OG : rot 151:sc= -1.09 USER MOD Single : B1102 CYS SG : rot 56:sc= 0.209 USER MOD Single : B1110 CYS SG : rot -17:sc= -2.17 USER MOD Single : B1115 HIS : no HD1:sc= -0.0261 X(o=-0.026,f=0) USER MOD Single : B1119 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B1121 TYR OH : rot 180:sc= -0.0423 USER MOD Single : B1122 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B1125 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B1126 SER OG : rot 74:sc= 0.822 USER MOD ----------------------------------------------------------------- ATOM 61 N MET B1053 -0.194 -8.333 12.060 1.00 0.00 N ATOM 62 CA MET B1053 -1.608 -8.307 11.716 1.00 0.00 C ATOM 63 C MET B1053 -1.870 -9.123 10.461 1.00 0.00 C ATOM 64 O MET B1053 -1.128 -9.035 9.493 1.00 0.00 O ATOM 65 CB MET B1053 -2.044 -6.866 11.472 1.00 0.00 C ATOM 66 CG MET B1053 -2.184 -6.126 12.803 1.00 0.00 C ATOM 67 SD MET B1053 -2.267 -4.346 12.487 1.00 0.00 S ATOM 68 CE MET B1053 -3.727 -4.362 11.415 1.00 0.00 C ATOM 0 HA MET B1053 -2.174 -8.737 12.542 1.00 0.00 H new ATOM 0 HB2 MET B1053 -1.314 -6.359 10.840 1.00 0.00 H new ATOM 0 HB3 MET B1053 -2.994 -6.851 10.937 1.00 0.00 H new ATOM 0 HG2 MET B1053 -3.082 -6.457 13.324 1.00 0.00 H new ATOM 0 HG3 MET B1053 -1.337 -6.354 13.450 1.00 0.00 H new ATOM 0 HE1 MET B1053 -3.864 -3.376 10.972 1.00 0.00 H new ATOM 0 HE2 MET B1053 -3.589 -5.099 10.624 1.00 0.00 H new ATOM 0 HE3 MET B1053 -4.607 -4.621 12.003 1.00 0.00 H new ATOM 78 N THR B1054 -2.937 -9.908 10.481 1.00 0.00 N ATOM 79 CA THR B1054 -3.288 -10.732 9.332 1.00 0.00 C ATOM 80 C THR B1054 -3.780 -9.853 8.188 1.00 0.00 C ATOM 81 O THR B1054 -4.141 -8.694 8.402 1.00 0.00 O ATOM 82 CB THR B1054 -4.372 -11.730 9.733 1.00 0.00 C ATOM 83 OG1 THR B1054 -5.575 -11.029 9.994 1.00 0.00 O ATOM 84 CG2 THR B1054 -3.932 -12.479 10.990 1.00 0.00 C ATOM 0 H THR B1054 -3.572 -9.992 11.275 1.00 0.00 H new ATOM 0 HA THR B1054 -2.405 -11.277 8.997 1.00 0.00 H new ATOM 0 HB THR B1054 -4.533 -12.444 8.925 1.00 0.00 H new ATOM 0 HG1 THR B1054 -6.275 -11.665 10.250 1.00 0.00 H new ATOM 0 HG21 THR B1054 -4.705 -13.192 11.278 1.00 0.00 H new ATOM 0 HG22 THR B1054 -3.003 -13.012 10.789 1.00 0.00 H new ATOM 0 HG23 THR B1054 -3.774 -11.768 11.801 1.00 0.00 H new ATOM 92 N PRO B1055 -3.790 -10.362 6.981 1.00 0.00 N ATOM 93 CA PRO B1055 -4.243 -9.578 5.796 1.00 0.00 C ATOM 94 C PRO B1055 -5.614 -8.949 6.027 1.00 0.00 C ATOM 95 O PRO B1055 -5.845 -7.791 5.678 1.00 0.00 O ATOM 96 CB PRO B1055 -4.307 -10.632 4.689 1.00 0.00 C ATOM 97 CG PRO B1055 -3.304 -11.657 5.087 1.00 0.00 C ATOM 98 CD PRO B1055 -3.371 -11.725 6.609 1.00 0.00 C ATOM 0 HA PRO B1055 -3.581 -8.743 5.565 1.00 0.00 H new ATOM 0 HB2 PRO B1055 -5.305 -11.064 4.610 1.00 0.00 H new ATOM 0 HB3 PRO B1055 -4.068 -10.201 3.717 1.00 0.00 H new ATOM 0 HG2 PRO B1055 -3.534 -12.625 4.641 1.00 0.00 H new ATOM 0 HG3 PRO B1055 -2.305 -11.380 4.750 1.00 0.00 H new ATOM 0 HD2 PRO B1055 -4.086 -12.474 6.949 1.00 0.00 H new ATOM 0 HD3 PRO B1055 -2.406 -11.984 7.045 1.00 0.00 H new ATOM 106 N GLU B1056 -6.517 -9.717 6.628 1.00 0.00 N ATOM 107 CA GLU B1056 -7.856 -9.216 6.907 1.00 0.00 C ATOM 108 C GLU B1056 -7.808 -8.100 7.945 1.00 0.00 C ATOM 109 O GLU B1056 -8.517 -7.101 7.826 1.00 0.00 O ATOM 110 CB GLU B1056 -8.745 -10.353 7.420 1.00 0.00 C ATOM 111 CG GLU B1056 -9.025 -11.337 6.282 1.00 0.00 C ATOM 112 CD GLU B1056 -9.822 -12.528 6.805 1.00 0.00 C ATOM 113 OE1 GLU B1056 -9.971 -12.632 8.012 1.00 0.00 O ATOM 114 OE2 GLU B1056 -10.274 -13.317 5.991 1.00 0.00 O ATOM 0 H GLU B1056 -6.348 -10.677 6.928 1.00 0.00 H new ATOM 0 HA GLU B1056 -8.272 -8.818 5.981 1.00 0.00 H new ATOM 0 HB2 GLU B1056 -8.255 -10.867 8.247 1.00 0.00 H new ATOM 0 HB3 GLU B1056 -9.682 -9.951 7.805 1.00 0.00 H new ATOM 0 HG2 GLU B1056 -9.580 -10.838 5.488 1.00 0.00 H new ATOM 0 HG3 GLU B1056 -8.086 -11.680 5.848 1.00 0.00 H new ATOM 121 N GLN B1057 -6.967 -8.272 8.963 1.00 0.00 N ATOM 122 CA GLN B1057 -6.842 -7.268 10.015 1.00 0.00 C ATOM 123 C GLN B1057 -6.302 -5.962 9.453 1.00 0.00 C ATOM 124 O GLN B1057 -6.794 -4.878 9.783 1.00 0.00 O ATOM 125 CB GLN B1057 -5.903 -7.779 11.104 1.00 0.00 C ATOM 126 CG GLN B1057 -6.591 -8.904 11.870 1.00 0.00 C ATOM 127 CD GLN B1057 -7.772 -8.353 12.655 1.00 0.00 C ATOM 128 OE1 GLN B1057 -8.912 -8.759 12.434 1.00 0.00 O ATOM 129 NE2 GLN B1057 -7.563 -7.442 13.560 1.00 0.00 N ATOM 0 H GLN B1057 -6.368 -9.089 9.081 1.00 0.00 H new ATOM 0 HA GLN B1057 -7.831 -7.085 10.436 1.00 0.00 H new ATOM 0 HB2 GLN B1057 -4.974 -8.139 10.661 1.00 0.00 H new ATOM 0 HB3 GLN B1057 -5.639 -6.968 11.783 1.00 0.00 H new ATOM 0 HG2 GLN B1057 -6.932 -9.672 11.176 1.00 0.00 H new ATOM 0 HG3 GLN B1057 -5.883 -9.379 12.549 1.00 0.00 H new ATOM 0 HE21 GLN B1057 -6.616 -7.109 13.739 1.00 0.00 H new ATOM 0 HE22 GLN B1057 -8.346 -7.061 14.090 1.00 0.00 H new ATOM 138 N MET B1058 -5.298 -6.067 8.591 1.00 0.00 N ATOM 139 CA MET B1058 -4.723 -4.878 7.989 1.00 0.00 C ATOM 140 C MET B1058 -5.758 -4.176 7.124 1.00 0.00 C ATOM 141 O MET B1058 -5.842 -2.948 7.110 1.00 0.00 O ATOM 142 CB MET B1058 -3.490 -5.227 7.152 1.00 0.00 C ATOM 143 CG MET B1058 -2.338 -5.619 8.079 1.00 0.00 C ATOM 144 SD MET B1058 -0.780 -5.640 7.151 1.00 0.00 S ATOM 145 CE MET B1058 -1.072 -7.136 6.187 1.00 0.00 C ATOM 0 H MET B1058 -4.874 -6.947 8.299 1.00 0.00 H new ATOM 0 HA MET B1058 -4.413 -4.208 8.791 1.00 0.00 H new ATOM 0 HB2 MET B1058 -3.719 -6.048 6.472 1.00 0.00 H new ATOM 0 HB3 MET B1058 -3.202 -4.375 6.537 1.00 0.00 H new ATOM 0 HG2 MET B1058 -2.269 -4.913 8.907 1.00 0.00 H new ATOM 0 HG3 MET B1058 -2.527 -6.601 8.513 1.00 0.00 H new ATOM 0 HE1 MET B1058 -0.274 -7.258 5.454 1.00 0.00 H new ATOM 0 HE2 MET B1058 -1.089 -8.000 6.852 1.00 0.00 H new ATOM 0 HE3 MET B1058 -2.029 -7.056 5.672 1.00 0.00 H new ATOM 155 N ALA B1059 -6.550 -4.963 6.404 1.00 0.00 N ATOM 156 CA ALA B1059 -7.581 -4.397 5.541 1.00 0.00 C ATOM 157 C ALA B1059 -8.610 -3.631 6.363 1.00 0.00 C ATOM 158 O ALA B1059 -9.067 -2.561 5.959 1.00 0.00 O ATOM 159 CB ALA B1059 -8.283 -5.505 4.759 1.00 0.00 C ATOM 0 H ALA B1059 -6.500 -5.982 6.400 1.00 0.00 H new ATOM 0 HA ALA B1059 -7.099 -3.710 4.845 1.00 0.00 H new ATOM 0 HB1 ALA B1059 -9.050 -5.069 4.119 1.00 0.00 H new ATOM 0 HB2 ALA B1059 -7.555 -6.034 4.144 1.00 0.00 H new ATOM 0 HB3 ALA B1059 -8.746 -6.204 5.455 1.00 0.00 H new ATOM 165 N LYS B1060 -8.978 -4.186 7.514 1.00 0.00 N ATOM 166 CA LYS B1060 -9.963 -3.541 8.373 1.00 0.00 C ATOM 167 C LYS B1060 -9.459 -2.180 8.839 1.00 0.00 C ATOM 168 O LYS B1060 -10.207 -1.201 8.840 1.00 0.00 O ATOM 169 CB LYS B1060 -10.245 -4.422 9.593 1.00 0.00 C ATOM 170 CG LYS B1060 -11.040 -5.657 9.165 1.00 0.00 C ATOM 171 CD LYS B1060 -11.124 -6.645 10.332 1.00 0.00 C ATOM 172 CE LYS B1060 -11.937 -6.029 11.473 1.00 0.00 C ATOM 173 NZ LYS B1060 -12.077 -7.024 12.575 1.00 0.00 N ATOM 0 H LYS B1060 -8.614 -5.070 7.869 1.00 0.00 H new ATOM 0 HA LYS B1060 -10.880 -3.401 7.801 1.00 0.00 H new ATOM 0 HB2 LYS B1060 -9.307 -4.725 10.059 1.00 0.00 H new ATOM 0 HB3 LYS B1060 -10.805 -3.858 10.339 1.00 0.00 H new ATOM 0 HG2 LYS B1060 -12.042 -5.365 8.850 1.00 0.00 H new ATOM 0 HG3 LYS B1060 -10.561 -6.131 8.308 1.00 0.00 H new ATOM 0 HD2 LYS B1060 -11.589 -7.574 10.002 1.00 0.00 H new ATOM 0 HD3 LYS B1060 -10.122 -6.896 10.681 1.00 0.00 H new ATOM 0 HE2 LYS B1060 -11.444 -5.129 11.841 1.00 0.00 H new ATOM 0 HE3 LYS B1060 -12.921 -5.729 11.112 1.00 0.00 H new ATOM 0 HZ1 LYS B1060 -12.629 -6.607 13.351 1.00 0.00 H new ATOM 0 HZ2 LYS B1060 -12.565 -7.870 12.219 1.00 0.00 H new ATOM 0 HZ3 LYS B1060 -11.134 -7.290 12.925 1.00 0.00 H new ATOM 187 N GLU B1061 -8.189 -2.116 9.219 1.00 0.00 N ATOM 188 CA GLU B1061 -7.616 -0.855 9.670 1.00 0.00 C ATOM 189 C GLU B1061 -7.578 0.153 8.527 1.00 0.00 C ATOM 190 O GLU B1061 -7.813 1.343 8.727 1.00 0.00 O ATOM 191 CB GLU B1061 -6.210 -1.079 10.232 1.00 0.00 C ATOM 192 CG GLU B1061 -6.297 -1.838 11.561 1.00 0.00 C ATOM 193 CD GLU B1061 -7.102 -1.037 12.580 1.00 0.00 C ATOM 194 OE1 GLU B1061 -6.801 0.133 12.755 1.00 0.00 O ATOM 195 OE2 GLU B1061 -8.015 -1.600 13.161 1.00 0.00 O ATOM 0 H GLU B1061 -7.546 -2.908 9.224 1.00 0.00 H new ATOM 0 HA GLU B1061 -8.246 -0.453 10.463 1.00 0.00 H new ATOM 0 HB2 GLU B1061 -5.609 -1.643 9.519 1.00 0.00 H new ATOM 0 HB3 GLU B1061 -5.711 -0.121 10.382 1.00 0.00 H new ATOM 0 HG2 GLU B1061 -6.764 -2.810 11.402 1.00 0.00 H new ATOM 0 HG3 GLU B1061 -5.295 -2.025 11.946 1.00 0.00 H new ATOM 202 N MET B1062 -7.277 -0.332 7.326 1.00 0.00 N ATOM 203 CA MET B1062 -7.209 0.540 6.163 1.00 0.00 C ATOM 204 C MET B1062 -8.558 1.209 5.915 1.00 0.00 C ATOM 205 O MET B1062 -8.628 2.413 5.656 1.00 0.00 O ATOM 206 CB MET B1062 -6.819 -0.278 4.932 1.00 0.00 C ATOM 207 CG MET B1062 -5.306 -0.223 4.726 1.00 0.00 C ATOM 208 SD MET B1062 -4.463 -0.473 6.303 1.00 0.00 S ATOM 209 CE MET B1062 -3.498 -1.914 5.798 1.00 0.00 C ATOM 0 H MET B1062 -7.078 -1.314 7.136 1.00 0.00 H new ATOM 0 HA MET B1062 -6.461 1.311 6.350 1.00 0.00 H new ATOM 0 HB2 MET B1062 -7.140 -1.312 5.056 1.00 0.00 H new ATOM 0 HB3 MET B1062 -7.329 0.111 4.050 1.00 0.00 H new ATOM 0 HG2 MET B1062 -4.999 -0.989 4.014 1.00 0.00 H new ATOM 0 HG3 MET B1062 -5.023 0.740 4.301 1.00 0.00 H new ATOM 0 HE1 MET B1062 -3.052 -2.379 6.677 1.00 0.00 H new ATOM 0 HE2 MET B1062 -4.149 -2.631 5.299 1.00 0.00 H new ATOM 0 HE3 MET B1062 -2.709 -1.602 5.113 1.00 0.00 H new ATOM 219 N SER B1063 -9.627 0.426 6.003 1.00 0.00 N ATOM 220 CA SER B1063 -10.965 0.966 5.788 1.00 0.00 C ATOM 221 C SER B1063 -11.299 1.990 6.866 1.00 0.00 C ATOM 222 O SER B1063 -11.934 3.008 6.593 1.00 0.00 O ATOM 223 CB SER B1063 -11.998 -0.160 5.808 1.00 0.00 C ATOM 224 OG SER B1063 -11.995 -0.776 7.088 1.00 0.00 O ATOM 0 H SER B1063 -9.596 -0.571 6.218 1.00 0.00 H new ATOM 0 HA SER B1063 -10.990 1.454 4.814 1.00 0.00 H new ATOM 0 HB2 SER B1063 -12.989 0.236 5.584 1.00 0.00 H new ATOM 0 HB3 SER B1063 -11.767 -0.895 5.037 1.00 0.00 H new ATOM 0 HG SER B1063 -11.079 -0.803 7.436 1.00 0.00 H new ATOM 230 N GLU B1064 -10.864 1.715 8.091 1.00 0.00 N ATOM 231 CA GLU B1064 -11.122 2.623 9.202 1.00 0.00 C ATOM 232 C GLU B1064 -10.455 3.974 8.968 1.00 0.00 C ATOM 233 O GLU B1064 -11.039 5.020 9.252 1.00 0.00 O ATOM 234 CB GLU B1064 -10.589 2.017 10.497 1.00 0.00 C ATOM 235 CG GLU B1064 -11.470 0.836 10.911 1.00 0.00 C ATOM 236 CD GLU B1064 -10.824 0.086 12.070 1.00 0.00 C ATOM 237 OE1 GLU B1064 -9.643 0.291 12.298 1.00 0.00 O ATOM 238 OE2 GLU B1064 -11.519 -0.681 12.715 1.00 0.00 O ATOM 0 H GLU B1064 -10.336 0.878 8.338 1.00 0.00 H new ATOM 0 HA GLU B1064 -12.199 2.773 9.277 1.00 0.00 H new ATOM 0 HB2 GLU B1064 -9.560 1.685 10.359 1.00 0.00 H new ATOM 0 HB3 GLU B1064 -10.578 2.770 11.285 1.00 0.00 H new ATOM 0 HG2 GLU B1064 -12.458 1.193 11.203 1.00 0.00 H new ATOM 0 HG3 GLU B1064 -11.612 0.163 10.065 1.00 0.00 H new ATOM 559 N LEU B1086 4.177 6.382 -1.559 1.00 0.00 N ATOM 560 CA LEU B1086 3.850 5.727 -0.298 1.00 0.00 C ATOM 561 C LEU B1086 3.498 4.257 -0.515 1.00 0.00 C ATOM 562 O LEU B1086 3.301 3.512 0.444 1.00 0.00 O ATOM 563 CB LEU B1086 2.670 6.447 0.351 1.00 0.00 C ATOM 564 CG LEU B1086 3.046 7.909 0.577 1.00 0.00 C ATOM 565 CD1 LEU B1086 1.819 8.688 1.048 1.00 0.00 C ATOM 566 CD2 LEU B1086 4.140 7.999 1.643 1.00 0.00 C ATOM 0 HA LEU B1086 4.722 5.774 0.354 1.00 0.00 H new ATOM 0 HB2 LEU B1086 1.789 6.379 -0.288 1.00 0.00 H new ATOM 0 HB3 LEU B1086 2.414 5.973 1.299 1.00 0.00 H new ATOM 0 HG LEU B1086 3.411 8.334 -0.358 1.00 0.00 H new ATOM 0 HD11 LEU B1086 2.090 9.731 1.209 1.00 0.00 H new ATOM 0 HD12 LEU B1086 1.037 8.629 0.291 1.00 0.00 H new ATOM 0 HD13 LEU B1086 1.453 8.260 1.981 1.00 0.00 H new ATOM 0 HD21 LEU B1086 4.407 9.044 1.803 1.00 0.00 H new ATOM 0 HD22 LEU B1086 3.775 7.571 2.576 1.00 0.00 H new ATOM 0 HD23 LEU B1086 5.019 7.447 1.310 1.00 0.00 H new ATOM 578 N SER B1087 3.428 3.838 -1.776 1.00 0.00 N ATOM 579 CA SER B1087 3.109 2.451 -2.090 1.00 0.00 C ATOM 580 C SER B1087 4.198 1.523 -1.562 1.00 0.00 C ATOM 581 O SER B1087 3.998 0.316 -1.452 1.00 0.00 O ATOM 582 CB SER B1087 2.965 2.279 -3.602 1.00 0.00 C ATOM 583 OG SER B1087 4.211 2.548 -4.229 1.00 0.00 O ATOM 0 H SER B1087 3.586 4.434 -2.589 1.00 0.00 H new ATOM 0 HA SER B1087 2.166 2.192 -1.609 1.00 0.00 H new ATOM 0 HB2 SER B1087 2.640 1.265 -3.834 1.00 0.00 H new ATOM 0 HB3 SER B1087 2.200 2.954 -3.985 1.00 0.00 H new ATOM 0 HG SER B1087 4.120 2.436 -5.198 1.00 0.00 H new ATOM 589 N LYS B1088 5.353 2.092 -1.245 1.00 0.00 N ATOM 590 CA LYS B1088 6.462 1.300 -0.728 1.00 0.00 C ATOM 591 C LYS B1088 6.502 1.347 0.800 1.00 0.00 C ATOM 592 O LYS B1088 7.273 0.624 1.430 1.00 0.00 O ATOM 593 CB LYS B1088 7.780 1.832 -1.283 1.00 0.00 C ATOM 594 CG LYS B1088 7.800 1.656 -2.802 1.00 0.00 C ATOM 595 CD LYS B1088 9.026 2.362 -3.382 1.00 0.00 C ATOM 596 CE LYS B1088 10.295 1.681 -2.872 1.00 0.00 C ATOM 597 NZ LYS B1088 11.487 2.303 -3.515 1.00 0.00 N ATOM 0 H LYS B1088 5.546 3.089 -1.335 1.00 0.00 H new ATOM 0 HA LYS B1088 6.317 0.266 -1.042 1.00 0.00 H new ATOM 0 HB2 LYS B1088 7.897 2.885 -1.026 1.00 0.00 H new ATOM 0 HB3 LYS B1088 8.618 1.300 -0.833 1.00 0.00 H new ATOM 0 HG2 LYS B1088 7.824 0.596 -3.055 1.00 0.00 H new ATOM 0 HG3 LYS B1088 6.890 2.068 -3.238 1.00 0.00 H new ATOM 0 HD2 LYS B1088 8.996 2.330 -4.471 1.00 0.00 H new ATOM 0 HD3 LYS B1088 9.024 3.413 -3.094 1.00 0.00 H new ATOM 0 HE2 LYS B1088 10.362 1.777 -1.788 1.00 0.00 H new ATOM 0 HE3 LYS B1088 10.263 0.615 -3.096 1.00 0.00 H new ATOM 0 HZ1 LYS B1088 12.351 1.839 -3.168 1.00 0.00 H new ATOM 0 HZ2 LYS B1088 11.424 2.189 -4.547 1.00 0.00 H new ATOM 0 HZ3 LYS B1088 11.519 3.316 -3.280 1.00 0.00 H new ATOM 611 N TRP B1089 5.677 2.208 1.390 1.00 0.00 N ATOM 612 CA TRP B1089 5.641 2.344 2.844 1.00 0.00 C ATOM 613 C TRP B1089 4.801 1.243 3.474 1.00 0.00 C ATOM 614 O TRP B1089 3.706 0.941 3.010 1.00 0.00 O ATOM 615 CB TRP B1089 5.061 3.707 3.238 1.00 0.00 C ATOM 616 CG TRP B1089 6.071 4.779 2.980 1.00 0.00 C ATOM 617 CD1 TRP B1089 6.893 4.827 1.909 1.00 0.00 C ATOM 618 CD2 TRP B1089 6.388 5.951 3.789 1.00 0.00 C ATOM 619 NE1 TRP B1089 7.689 5.947 2.004 1.00 0.00 N ATOM 620 CE2 TRP B1089 7.416 6.676 3.144 1.00 0.00 C ATOM 621 CE3 TRP B1089 5.887 6.454 5.006 1.00 0.00 C ATOM 622 CZ2 TRP B1089 7.931 7.855 3.682 1.00 0.00 C ATOM 623 CZ3 TRP B1089 6.405 7.643 5.550 1.00 0.00 C ATOM 624 CH2 TRP B1089 7.424 8.341 4.888 1.00 0.00 C ATOM 0 H TRP B1089 5.030 2.817 0.889 1.00 0.00 H new ATOM 0 HA TRP B1089 6.664 2.262 3.210 1.00 0.00 H new ATOM 0 HB2 TRP B1089 4.153 3.905 2.668 1.00 0.00 H new ATOM 0 HB3 TRP B1089 4.782 3.703 4.292 1.00 0.00 H new ATOM 0 HD1 TRP B1089 6.921 4.104 1.107 1.00 0.00 H new ATOM 0 HE1 TRP B1089 8.395 6.206 1.315 1.00 0.00 H new ATOM 0 HE3 TRP B1089 5.101 5.924 5.524 1.00 0.00 H new ATOM 0 HZ2 TRP B1089 8.717 8.389 3.169 1.00 0.00 H new ATOM 0 HZ3 TRP B1089 6.015 8.020 6.484 1.00 0.00 H new ATOM 0 HH2 TRP B1089 7.817 9.254 5.311 1.00 0.00 H new ATOM 635 N LYS B1090 5.318 0.656 4.542 1.00 0.00 N ATOM 636 CA LYS B1090 4.604 -0.408 5.236 1.00 0.00 C ATOM 637 C LYS B1090 3.325 0.117 5.862 1.00 0.00 C ATOM 638 O LYS B1090 3.165 1.319 6.056 1.00 0.00 O ATOM 639 CB LYS B1090 5.492 -1.007 6.318 1.00 0.00 C ATOM 640 CG LYS B1090 6.619 -1.778 5.648 1.00 0.00 C ATOM 641 CD LYS B1090 7.543 -2.354 6.713 1.00 0.00 C ATOM 642 CE LYS B1090 8.679 -3.133 6.048 1.00 0.00 C ATOM 643 NZ LYS B1090 9.581 -3.683 7.097 1.00 0.00 N ATOM 0 H LYS B1090 6.223 0.895 4.946 1.00 0.00 H new ATOM 0 HA LYS B1090 4.345 -1.176 4.508 1.00 0.00 H new ATOM 0 HB2 LYS B1090 5.898 -0.220 6.953 1.00 0.00 H new ATOM 0 HB3 LYS B1090 4.911 -1.668 6.961 1.00 0.00 H new ATOM 0 HG2 LYS B1090 6.210 -2.580 5.034 1.00 0.00 H new ATOM 0 HG3 LYS B1090 7.179 -1.120 4.983 1.00 0.00 H new ATOM 0 HD2 LYS B1090 7.951 -1.551 7.326 1.00 0.00 H new ATOM 0 HD3 LYS B1090 6.981 -3.009 7.379 1.00 0.00 H new ATOM 0 HE2 LYS B1090 8.273 -3.942 5.441 1.00 0.00 H new ATOM 0 HE3 LYS B1090 9.238 -2.481 5.377 1.00 0.00 H new ATOM 0 HZ1 LYS B1090 10.354 -4.213 6.647 1.00 0.00 H new ATOM 0 HZ2 LYS B1090 9.977 -2.902 7.658 1.00 0.00 H new ATOM 0 HZ3 LYS B1090 9.042 -4.318 7.720 1.00 0.00 H new ATOM 657 N TYR B1091 2.418 -0.795 6.184 1.00 0.00 N ATOM 658 CA TYR B1091 1.162 -0.410 6.800 1.00 0.00 C ATOM 659 C TYR B1091 1.432 0.377 8.068 1.00 0.00 C ATOM 660 O TYR B1091 0.833 1.428 8.299 1.00 0.00 O ATOM 661 CB TYR B1091 0.336 -1.651 7.137 1.00 0.00 C ATOM 662 CG TYR B1091 -0.673 -1.308 8.209 1.00 0.00 C ATOM 663 CD1 TYR B1091 -1.726 -0.430 7.931 1.00 0.00 C ATOM 664 CD2 TYR B1091 -0.554 -1.876 9.482 1.00 0.00 C ATOM 665 CE1 TYR B1091 -2.661 -0.122 8.927 1.00 0.00 C ATOM 666 CE2 TYR B1091 -1.488 -1.568 10.478 1.00 0.00 C ATOM 667 CZ TYR B1091 -2.543 -0.690 10.201 1.00 0.00 C ATOM 668 OH TYR B1091 -3.465 -0.387 11.182 1.00 0.00 O ATOM 0 H TYR B1091 2.529 -1.797 6.030 1.00 0.00 H new ATOM 0 HA TYR B1091 0.603 0.210 6.099 1.00 0.00 H new ATOM 0 HB2 TYR B1091 -0.174 -2.015 6.245 1.00 0.00 H new ATOM 0 HB3 TYR B1091 0.989 -2.453 7.480 1.00 0.00 H new ATOM 0 HD1 TYR B1091 -1.818 0.010 6.949 1.00 0.00 H new ATOM 0 HD2 TYR B1091 0.260 -2.553 9.697 1.00 0.00 H new ATOM 0 HE1 TYR B1091 -3.475 0.555 8.712 1.00 0.00 H new ATOM 0 HE2 TYR B1091 -1.395 -2.008 11.460 1.00 0.00 H new ATOM 0 HH TYR B1091 -3.236 -0.867 12.005 1.00 0.00 H new ATOM 678 N ALA B1092 2.339 -0.132 8.885 1.00 0.00 N ATOM 679 CA ALA B1092 2.677 0.549 10.129 1.00 0.00 C ATOM 680 C ALA B1092 3.251 1.934 9.838 1.00 0.00 C ATOM 681 O ALA B1092 2.943 2.904 10.533 1.00 0.00 O ATOM 682 CB ALA B1092 3.692 -0.271 10.923 1.00 0.00 C ATOM 0 H ALA B1092 2.848 -0.999 8.716 1.00 0.00 H new ATOM 0 HA ALA B1092 1.767 0.658 10.719 1.00 0.00 H new ATOM 0 HB1 ALA B1092 3.935 0.249 11.849 1.00 0.00 H new ATOM 0 HB2 ALA B1092 3.268 -1.248 11.156 1.00 0.00 H new ATOM 0 HB3 ALA B1092 4.598 -0.401 10.331 1.00 0.00 H new ATOM 688 N GLU B1093 4.090 2.017 8.809 1.00 0.00 N ATOM 689 CA GLU B1093 4.708 3.287 8.437 1.00 0.00 C ATOM 690 C GLU B1093 3.657 4.296 7.986 1.00 0.00 C ATOM 691 O GLU B1093 3.703 5.464 8.371 1.00 0.00 O ATOM 692 CB GLU B1093 5.723 3.070 7.311 1.00 0.00 C ATOM 693 CG GLU B1093 6.930 2.297 7.850 1.00 0.00 C ATOM 694 CD GLU B1093 7.906 1.995 6.718 1.00 0.00 C ATOM 695 OE1 GLU B1093 7.551 2.237 5.576 1.00 0.00 O ATOM 696 OE2 GLU B1093 8.993 1.524 7.010 1.00 0.00 O ATOM 0 H GLU B1093 4.356 1.227 8.222 1.00 0.00 H new ATOM 0 HA GLU B1093 5.217 3.683 9.316 1.00 0.00 H new ATOM 0 HB2 GLU B1093 5.261 2.518 6.492 1.00 0.00 H new ATOM 0 HB3 GLU B1093 6.044 4.030 6.907 1.00 0.00 H new ATOM 0 HG2 GLU B1093 7.428 2.880 8.625 1.00 0.00 H new ATOM 0 HG3 GLU B1093 6.599 1.367 8.313 1.00 0.00 H new ATOM 703 N LEU B1094 2.699 3.844 7.180 1.00 0.00 N ATOM 704 CA LEU B1094 1.643 4.723 6.706 1.00 0.00 C ATOM 705 C LEU B1094 0.780 5.186 7.861 1.00 0.00 C ATOM 706 O LEU B1094 0.367 6.341 7.914 1.00 0.00 O ATOM 707 CB LEU B1094 0.788 4.004 5.662 1.00 0.00 C ATOM 708 CG LEU B1094 1.589 3.883 4.371 1.00 0.00 C ATOM 709 CD1 LEU B1094 0.921 2.869 3.438 1.00 0.00 C ATOM 710 CD2 LEU B1094 1.628 5.249 3.681 1.00 0.00 C ATOM 0 H LEU B1094 2.635 2.882 6.846 1.00 0.00 H new ATOM 0 HA LEU B1094 2.101 5.598 6.244 1.00 0.00 H new ATOM 0 HB2 LEU B1094 0.503 3.016 6.023 1.00 0.00 H new ATOM 0 HB3 LEU B1094 -0.134 4.557 5.484 1.00 0.00 H new ATOM 0 HG LEU B1094 2.601 3.549 4.601 1.00 0.00 H new ATOM 0 HD11 LEU B1094 1.498 2.787 2.517 1.00 0.00 H new ATOM 0 HD12 LEU B1094 0.879 1.896 3.928 1.00 0.00 H new ATOM 0 HD13 LEU B1094 -0.090 3.201 3.204 1.00 0.00 H new ATOM 0 HD21 LEU B1094 2.199 5.173 2.756 1.00 0.00 H new ATOM 0 HD22 LEU B1094 0.612 5.571 3.455 1.00 0.00 H new ATOM 0 HD23 LEU B1094 2.101 5.976 4.341 1.00 0.00 H new ATOM 722 N ARG B1095 0.514 4.280 8.788 1.00 0.00 N ATOM 723 CA ARG B1095 -0.306 4.617 9.933 1.00 0.00 C ATOM 724 C ARG B1095 0.331 5.766 10.704 1.00 0.00 C ATOM 725 O ARG B1095 -0.326 6.765 11.010 1.00 0.00 O ATOM 726 CB ARG B1095 -0.434 3.388 10.834 1.00 0.00 C ATOM 727 CG ARG B1095 -1.430 3.678 11.961 1.00 0.00 C ATOM 728 CD ARG B1095 -0.682 4.082 13.233 1.00 0.00 C ATOM 729 NE ARG B1095 0.203 3.005 13.662 1.00 0.00 N ATOM 730 CZ ARG B1095 -0.263 1.929 14.303 1.00 0.00 C ATOM 731 NH1 ARG B1095 -1.539 1.808 14.568 1.00 0.00 N ATOM 732 NH2 ARG B1095 0.563 0.986 14.666 1.00 0.00 N ATOM 0 H ARG B1095 0.851 3.317 8.769 1.00 0.00 H new ATOM 0 HA ARG B1095 -1.296 4.927 9.598 1.00 0.00 H new ATOM 0 HB2 ARG B1095 -0.769 2.530 10.251 1.00 0.00 H new ATOM 0 HB3 ARG B1095 0.538 3.129 11.252 1.00 0.00 H new ATOM 0 HG2 ARG B1095 -2.109 4.476 11.660 1.00 0.00 H new ATOM 0 HG3 ARG B1095 -2.040 2.796 12.153 1.00 0.00 H new ATOM 0 HD2 ARG B1095 -0.103 4.987 13.051 1.00 0.00 H new ATOM 0 HD3 ARG B1095 -1.395 4.314 14.024 1.00 0.00 H new ATOM 0 HE ARG B1095 1.202 3.075 13.468 1.00 0.00 H new ATOM 0 HH11 ARG B1095 -2.190 2.540 14.285 1.00 0.00 H new ATOM 0 HH12 ARG B1095 -1.882 0.982 15.058 1.00 0.00 H new ATOM 0 HH21 ARG B1095 1.558 1.073 14.460 1.00 0.00 H new ATOM 0 HH22 ARG B1095 0.213 0.162 15.156 1.00 0.00 H new ATOM 746 N ASP B1096 1.619 5.630 10.994 1.00 0.00 N ATOM 747 CA ASP B1096 2.339 6.671 11.709 1.00 0.00 C ATOM 748 C ASP B1096 2.356 7.950 10.888 1.00 0.00 C ATOM 749 O ASP B1096 2.236 9.048 11.432 1.00 0.00 O ATOM 750 CB ASP B1096 3.771 6.224 12.004 1.00 0.00 C ATOM 751 CG ASP B1096 3.764 5.146 13.083 1.00 0.00 C ATOM 752 OD1 ASP B1096 2.733 4.978 13.716 1.00 0.00 O ATOM 753 OD2 ASP B1096 4.786 4.506 13.260 1.00 0.00 O ATOM 0 H ASP B1096 2.181 4.815 10.747 1.00 0.00 H new ATOM 0 HA ASP B1096 1.829 6.859 12.654 1.00 0.00 H new ATOM 0 HB2 ASP B1096 4.236 5.840 11.096 1.00 0.00 H new ATOM 0 HB3 ASP B1096 4.367 7.076 12.332 1.00 0.00 H new ATOM 758 N THR B1097 2.508 7.806 9.574 1.00 0.00 N ATOM 759 CA THR B1097 2.541 8.967 8.702 1.00 0.00 C ATOM 760 C THR B1097 1.228 9.736 8.791 1.00 0.00 C ATOM 761 O THR B1097 1.227 10.960 8.849 1.00 0.00 O ATOM 762 CB THR B1097 2.780 8.536 7.256 1.00 0.00 C ATOM 763 OG1 THR B1097 4.020 7.855 7.171 1.00 0.00 O ATOM 764 CG2 THR B1097 2.816 9.777 6.363 1.00 0.00 C ATOM 0 H THR B1097 2.609 6.909 9.099 1.00 0.00 H new ATOM 0 HA THR B1097 3.357 9.614 9.025 1.00 0.00 H new ATOM 0 HB THR B1097 1.978 7.874 6.929 1.00 0.00 H new ATOM 0 HG1 THR B1097 4.342 7.876 6.246 1.00 0.00 H new ATOM 0 HG21 THR B1097 2.986 9.477 5.329 1.00 0.00 H new ATOM 0 HG22 THR B1097 1.865 10.305 6.435 1.00 0.00 H new ATOM 0 HG23 THR B1097 3.622 10.435 6.687 1.00 0.00 H new ATOM 772 N ILE B1098 0.113 9.016 8.797 1.00 0.00 N ATOM 773 CA ILE B1098 -1.195 9.659 8.871 1.00 0.00 C ATOM 774 C ILE B1098 -1.326 10.478 10.149 1.00 0.00 C ATOM 775 O ILE B1098 -1.755 11.632 10.118 1.00 0.00 O ATOM 776 CB ILE B1098 -2.293 8.597 8.848 1.00 0.00 C ATOM 777 CG1 ILE B1098 -2.316 7.937 7.477 1.00 0.00 C ATOM 778 CG2 ILE B1098 -3.649 9.253 9.113 1.00 0.00 C ATOM 779 CD1 ILE B1098 -3.181 6.678 7.520 1.00 0.00 C ATOM 0 H ILE B1098 0.086 7.997 8.752 1.00 0.00 H new ATOM 0 HA ILE B1098 -1.297 10.323 8.013 1.00 0.00 H new ATOM 0 HB ILE B1098 -2.095 7.851 9.618 1.00 0.00 H new ATOM 0 HG12 ILE B1098 -2.708 8.633 6.735 1.00 0.00 H new ATOM 0 HG13 ILE B1098 -1.302 7.682 7.170 1.00 0.00 H new ATOM 0 HG21 ILE B1098 -4.430 8.493 9.096 1.00 0.00 H new ATOM 0 HG22 ILE B1098 -3.634 9.737 10.090 1.00 0.00 H new ATOM 0 HG23 ILE B1098 -3.850 9.997 8.342 1.00 0.00 H new ATOM 0 HD11 ILE B1098 -3.193 6.211 6.535 1.00 0.00 H new ATOM 0 HD12 ILE B1098 -2.770 5.979 8.248 1.00 0.00 H new ATOM 0 HD13 ILE B1098 -4.198 6.945 7.807 1.00 0.00 H new ATOM 791 N ASN B1099 -0.953 9.878 11.270 1.00 0.00 N ATOM 792 CA ASN B1099 -1.041 10.569 12.554 1.00 0.00 C ATOM 793 C ASN B1099 -0.150 11.805 12.575 1.00 0.00 C ATOM 794 O ASN B1099 -0.521 12.838 13.130 1.00 0.00 O ATOM 795 CB ASN B1099 -0.636 9.612 13.671 1.00 0.00 C ATOM 796 CG ASN B1099 -1.765 8.618 13.919 1.00 0.00 C ATOM 797 OD1 ASN B1099 -2.644 8.868 14.743 1.00 0.00 O ATOM 798 ND2 ASN B1099 -1.817 7.521 13.215 1.00 0.00 N ATOM 0 H ASN B1099 -0.590 8.926 11.320 1.00 0.00 H new ATOM 0 HA ASN B1099 -2.070 10.896 12.704 1.00 0.00 H new ATOM 0 HB2 ASN B1099 0.277 9.082 13.398 1.00 0.00 H new ATOM 0 HB3 ASN B1099 -0.420 10.170 14.582 1.00 0.00 H new ATOM 0 HD21 ASN B1099 -2.588 6.867 13.347 1.00 0.00 H new ATOM 0 HD22 ASN B1099 -1.086 7.318 12.533 1.00 0.00 H new ATOM 805 N THR B1100 1.026 11.692 11.971 1.00 0.00 N ATOM 806 CA THR B1100 1.961 12.808 11.931 1.00 0.00 C ATOM 807 C THR B1100 1.718 13.695 10.707 1.00 0.00 C ATOM 808 O THR B1100 2.405 14.699 10.519 1.00 0.00 O ATOM 809 CB THR B1100 3.394 12.276 11.897 1.00 0.00 C ATOM 810 OG1 THR B1100 3.581 11.501 10.721 1.00 0.00 O ATOM 811 CG2 THR B1100 3.640 11.407 13.128 1.00 0.00 C ATOM 0 H THR B1100 1.353 10.845 11.505 1.00 0.00 H new ATOM 0 HA THR B1100 1.807 13.411 12.826 1.00 0.00 H new ATOM 0 HB THR B1100 4.095 13.110 11.896 1.00 0.00 H new ATOM 0 HG1 THR B1100 3.218 10.602 10.861 1.00 0.00 H new ATOM 0 HG21 THR B1100 4.661 11.026 13.106 1.00 0.00 H new ATOM 0 HG22 THR B1100 3.494 12.003 14.029 1.00 0.00 H new ATOM 0 HG23 THR B1100 2.941 10.571 13.129 1.00 0.00 H new ATOM 819 N SER B1101 0.753 13.319 9.870 1.00 0.00 N ATOM 820 CA SER B1101 0.462 14.091 8.673 1.00 0.00 C ATOM 821 C SER B1101 -0.215 15.404 9.030 1.00 0.00 C ATOM 822 O SER B1101 -1.287 15.423 9.635 1.00 0.00 O ATOM 823 CB SER B1101 -0.454 13.288 7.753 1.00 0.00 C ATOM 824 OG SER B1101 -0.702 14.037 6.574 1.00 0.00 O ATOM 0 H SER B1101 0.168 12.494 10.000 1.00 0.00 H new ATOM 0 HA SER B1101 1.403 14.306 8.166 1.00 0.00 H new ATOM 0 HB2 SER B1101 0.009 12.334 7.502 1.00 0.00 H new ATOM 0 HB3 SER B1101 -1.392 13.063 8.260 1.00 0.00 H new ATOM 0 HG SER B1101 -0.864 13.425 5.826 1.00 0.00 H new ATOM 830 N CYS B1102 0.415 16.499 8.635 1.00 0.00 N ATOM 831 CA CYS B1102 -0.129 17.823 8.895 1.00 0.00 C ATOM 832 C CYS B1102 -0.515 18.511 7.585 1.00 0.00 C ATOM 833 O CYS B1102 -1.041 19.624 7.594 1.00 0.00 O ATOM 834 CB CYS B1102 0.901 18.673 9.640 1.00 0.00 C ATOM 835 SG CYS B1102 1.293 17.888 11.222 1.00 0.00 S ATOM 0 H CYS B1102 1.303 16.497 8.133 1.00 0.00 H new ATOM 0 HA CYS B1102 -1.022 17.716 9.511 1.00 0.00 H new ATOM 0 HB2 CYS B1102 1.805 18.779 9.040 1.00 0.00 H new ATOM 0 HB3 CYS B1102 0.509 19.677 9.806 1.00 0.00 H new ATOM 0 HG CYS B1102 1.697 16.670 11.014 1.00 0.00 H new ATOM 841 N ASP B1103 -0.246 17.848 6.460 1.00 0.00 N ATOM 842 CA ASP B1103 -0.569 18.418 5.155 1.00 0.00 C ATOM 843 C ASP B1103 -1.667 17.609 4.470 1.00 0.00 C ATOM 844 O ASP B1103 -1.709 16.386 4.583 1.00 0.00 O ATOM 845 CB ASP B1103 0.679 18.440 4.272 1.00 0.00 C ATOM 846 CG ASP B1103 1.666 19.481 4.793 1.00 0.00 C ATOM 847 OD1 ASP B1103 1.261 20.298 5.602 1.00 0.00 O ATOM 848 OD2 ASP B1103 2.813 19.441 4.378 1.00 0.00 O ATOM 0 H ASP B1103 0.190 16.926 6.427 1.00 0.00 H new ATOM 0 HA ASP B1103 -0.927 19.437 5.304 1.00 0.00 H new ATOM 0 HB2 ASP B1103 1.146 17.455 4.263 1.00 0.00 H new ATOM 0 HB3 ASP B1103 0.403 18.671 3.243 1.00 0.00 H new ATOM 853 N ILE B1104 -2.553 18.299 3.761 1.00 0.00 N ATOM 854 CA ILE B1104 -3.644 17.629 3.066 1.00 0.00 C ATOM 855 C ILE B1104 -3.110 16.774 1.918 1.00 0.00 C ATOM 856 O ILE B1104 -3.715 15.768 1.550 1.00 0.00 O ATOM 857 CB ILE B1104 -4.627 18.672 2.529 1.00 0.00 C ATOM 858 CG1 ILE B1104 -3.909 19.606 1.547 1.00 0.00 C ATOM 859 CG2 ILE B1104 -5.187 19.493 3.690 1.00 0.00 C ATOM 860 CD1 ILE B1104 -4.927 20.547 0.900 1.00 0.00 C ATOM 0 H ILE B1104 -2.538 19.313 3.653 1.00 0.00 H new ATOM 0 HA ILE B1104 -4.158 16.974 3.770 1.00 0.00 H new ATOM 0 HB ILE B1104 -5.442 18.163 2.014 1.00 0.00 H new ATOM 0 HG12 ILE B1104 -3.146 20.183 2.069 1.00 0.00 H new ATOM 0 HG13 ILE B1104 -3.399 19.022 0.781 1.00 0.00 H new ATOM 0 HG21 ILE B1104 -5.887 20.235 3.306 1.00 0.00 H new ATOM 0 HG22 ILE B1104 -5.704 18.833 4.386 1.00 0.00 H new ATOM 0 HG23 ILE B1104 -4.370 19.997 4.206 1.00 0.00 H new ATOM 0 HD11 ILE B1104 -4.417 21.211 0.202 1.00 0.00 H new ATOM 0 HD12 ILE B1104 -5.674 19.962 0.364 1.00 0.00 H new ATOM 0 HD13 ILE B1104 -5.417 21.140 1.673 1.00 0.00 H new ATOM 872 N GLU B1105 -1.975 17.181 1.364 1.00 0.00 N ATOM 873 CA GLU B1105 -1.367 16.447 0.260 1.00 0.00 C ATOM 874 C GLU B1105 -0.941 15.059 0.715 1.00 0.00 C ATOM 875 O GLU B1105 -1.185 14.065 0.032 1.00 0.00 O ATOM 876 CB GLU B1105 -0.147 17.215 -0.253 1.00 0.00 C ATOM 877 CG GLU B1105 -0.609 18.487 -0.966 1.00 0.00 C ATOM 878 CD GLU B1105 0.595 19.357 -1.310 1.00 0.00 C ATOM 879 OE1 GLU B1105 1.666 19.089 -0.790 1.00 0.00 O ATOM 880 OE2 GLU B1105 0.428 20.282 -2.091 1.00 0.00 O ATOM 0 H GLU B1105 -1.459 18.010 1.658 1.00 0.00 H new ATOM 0 HA GLU B1105 -2.100 16.344 -0.540 1.00 0.00 H new ATOM 0 HB2 GLU B1105 0.512 17.469 0.577 1.00 0.00 H new ATOM 0 HB3 GLU B1105 0.428 16.591 -0.936 1.00 0.00 H new ATOM 0 HG2 GLU B1105 -1.153 18.228 -1.875 1.00 0.00 H new ATOM 0 HG3 GLU B1105 -1.299 19.041 -0.329 1.00 0.00 H new ATOM 887 N LEU B1106 -0.316 14.997 1.883 1.00 0.00 N ATOM 888 CA LEU B1106 0.127 13.725 2.428 1.00 0.00 C ATOM 889 C LEU B1106 -1.072 12.863 2.792 1.00 0.00 C ATOM 890 O LEU B1106 -1.069 11.651 2.573 1.00 0.00 O ATOM 891 CB LEU B1106 0.986 13.956 3.671 1.00 0.00 C ATOM 892 CG LEU B1106 1.456 12.609 4.221 1.00 0.00 C ATOM 893 CD1 LEU B1106 2.366 11.923 3.202 1.00 0.00 C ATOM 894 CD2 LEU B1106 2.227 12.834 5.523 1.00 0.00 C ATOM 0 H LEU B1106 -0.106 15.807 2.466 1.00 0.00 H new ATOM 0 HA LEU B1106 0.720 13.212 1.671 1.00 0.00 H new ATOM 0 HB2 LEU B1106 1.845 14.579 3.422 1.00 0.00 H new ATOM 0 HB3 LEU B1106 0.413 14.491 4.428 1.00 0.00 H new ATOM 0 HG LEU B1106 0.590 11.975 4.413 1.00 0.00 H new ATOM 0 HD11 LEU B1106 2.698 10.964 3.599 1.00 0.00 H new ATOM 0 HD12 LEU B1106 1.817 11.762 2.274 1.00 0.00 H new ATOM 0 HD13 LEU B1106 3.233 12.554 3.005 1.00 0.00 H new ATOM 0 HD21 LEU B1106 2.563 11.875 5.917 1.00 0.00 H new ATOM 0 HD22 LEU B1106 3.091 13.470 5.329 1.00 0.00 H new ATOM 0 HD23 LEU B1106 1.577 13.318 6.252 1.00 0.00 H new ATOM 906 N LEU B1107 -2.087 13.498 3.366 1.00 0.00 N ATOM 907 CA LEU B1107 -3.286 12.783 3.780 1.00 0.00 C ATOM 908 C LEU B1107 -3.931 12.137 2.567 1.00 0.00 C ATOM 909 O LEU B1107 -4.359 10.987 2.609 1.00 0.00 O ATOM 910 CB LEU B1107 -4.271 13.767 4.417 1.00 0.00 C ATOM 911 CG LEU B1107 -3.706 14.262 5.748 1.00 0.00 C ATOM 912 CD1 LEU B1107 -4.546 15.432 6.258 1.00 0.00 C ATOM 913 CD2 LEU B1107 -3.739 13.127 6.773 1.00 0.00 C ATOM 0 H LEU B1107 -2.103 14.500 3.554 1.00 0.00 H new ATOM 0 HA LEU B1107 -3.020 12.014 4.505 1.00 0.00 H new ATOM 0 HB2 LEU B1107 -4.445 14.609 3.747 1.00 0.00 H new ATOM 0 HB3 LEU B1107 -5.234 13.282 4.576 1.00 0.00 H new ATOM 0 HG LEU B1107 -2.677 14.590 5.603 1.00 0.00 H new ATOM 0 HD11 LEU B1107 -4.142 15.784 7.207 1.00 0.00 H new ATOM 0 HD12 LEU B1107 -4.520 16.243 5.530 1.00 0.00 H new ATOM 0 HD13 LEU B1107 -5.576 15.105 6.401 1.00 0.00 H new ATOM 0 HD21 LEU B1107 -3.336 13.482 7.722 1.00 0.00 H new ATOM 0 HD22 LEU B1107 -4.768 12.796 6.917 1.00 0.00 H new ATOM 0 HD23 LEU B1107 -3.137 12.293 6.412 1.00 0.00 H new ATOM 925 N ALA B1108 -3.973 12.879 1.477 1.00 0.00 N ATOM 926 CA ALA B1108 -4.535 12.363 0.247 1.00 0.00 C ATOM 927 C ALA B1108 -3.668 11.222 -0.288 1.00 0.00 C ATOM 928 O ALA B1108 -4.180 10.248 -0.837 1.00 0.00 O ATOM 929 CB ALA B1108 -4.632 13.483 -0.791 1.00 0.00 C ATOM 0 H ALA B1108 -3.626 13.836 1.419 1.00 0.00 H new ATOM 0 HA ALA B1108 -5.535 11.979 0.447 1.00 0.00 H new ATOM 0 HB1 ALA B1108 -5.056 13.088 -1.714 1.00 0.00 H new ATOM 0 HB2 ALA B1108 -5.272 14.278 -0.409 1.00 0.00 H new ATOM 0 HB3 ALA B1108 -3.637 13.882 -0.990 1.00 0.00 H new ATOM 935 N ALA B1109 -2.350 11.368 -0.140 1.00 0.00 N ATOM 936 CA ALA B1109 -1.412 10.361 -0.634 1.00 0.00 C ATOM 937 C ALA B1109 -1.606 9.009 0.049 1.00 0.00 C ATOM 938 O ALA B1109 -1.671 7.975 -0.617 1.00 0.00 O ATOM 939 CB ALA B1109 0.021 10.843 -0.397 1.00 0.00 C ATOM 0 H ALA B1109 -1.911 12.169 0.315 1.00 0.00 H new ATOM 0 HA ALA B1109 -1.602 10.227 -1.699 1.00 0.00 H new ATOM 0 HB1 ALA B1109 0.722 10.094 -0.764 1.00 0.00 H new ATOM 0 HB2 ALA B1109 0.182 11.782 -0.927 1.00 0.00 H new ATOM 0 HB3 ALA B1109 0.181 10.997 0.670 1.00 0.00 H new ATOM 945 N CYS B1110 -1.702 9.016 1.374 1.00 0.00 N ATOM 946 CA CYS B1110 -1.885 7.772 2.111 1.00 0.00 C ATOM 947 C CYS B1110 -3.289 7.219 1.892 1.00 0.00 C ATOM 948 O CYS B1110 -3.480 6.007 1.805 1.00 0.00 O ATOM 949 CB CYS B1110 -1.634 8.002 3.600 1.00 0.00 C ATOM 950 SG CYS B1110 -2.767 9.269 4.201 1.00 0.00 S ATOM 0 H CYS B1110 -1.657 9.855 1.952 1.00 0.00 H new ATOM 0 HA CYS B1110 -1.166 7.041 1.740 1.00 0.00 H new ATOM 0 HB2 CYS B1110 -1.780 7.074 4.153 1.00 0.00 H new ATOM 0 HB3 CYS B1110 -0.602 8.312 3.764 1.00 0.00 H new ATOM 0 HG CYS B1110 -3.263 9.921 3.192 1.00 0.00 H new ATOM 956 N ARG B1111 -4.267 8.113 1.783 1.00 0.00 N ATOM 957 CA ARG B1111 -5.642 7.690 1.555 1.00 0.00 C ATOM 958 C ARG B1111 -5.759 6.992 0.208 1.00 0.00 C ATOM 959 O ARG B1111 -6.403 5.948 0.090 1.00 0.00 O ATOM 960 CB ARG B1111 -6.580 8.899 1.596 1.00 0.00 C ATOM 961 CG ARG B1111 -7.303 8.929 2.944 1.00 0.00 C ATOM 962 CD ARG B1111 -6.366 9.461 4.029 1.00 0.00 C ATOM 963 NE ARG B1111 -6.946 9.227 5.348 1.00 0.00 N ATOM 964 CZ ARG B1111 -6.324 9.607 6.466 1.00 0.00 C ATOM 965 NH1 ARG B1111 -5.166 10.217 6.414 1.00 0.00 N ATOM 966 NH2 ARG B1111 -6.875 9.364 7.623 1.00 0.00 N ATOM 0 H ARG B1111 -4.135 9.122 1.848 1.00 0.00 H new ATOM 0 HA ARG B1111 -5.927 6.993 2.343 1.00 0.00 H new ATOM 0 HB2 ARG B1111 -6.013 9.819 1.453 1.00 0.00 H new ATOM 0 HB3 ARG B1111 -7.304 8.841 0.783 1.00 0.00 H new ATOM 0 HG2 ARG B1111 -8.189 9.560 2.876 1.00 0.00 H new ATOM 0 HG3 ARG B1111 -7.644 7.927 3.206 1.00 0.00 H new ATOM 0 HD2 ARG B1111 -5.396 8.969 3.957 1.00 0.00 H new ATOM 0 HD3 ARG B1111 -6.194 10.527 3.882 1.00 0.00 H new ATOM 0 HE ARG B1111 -7.851 8.761 5.417 1.00 0.00 H new ATOM 0 HH11 ARG B1111 -4.730 10.407 5.512 1.00 0.00 H new ATOM 0 HH12 ARG B1111 -4.701 10.502 7.276 1.00 0.00 H new ATOM 0 HH21 ARG B1111 -7.775 8.887 7.669 1.00 0.00 H new ATOM 0 HH22 ARG B1111 -6.406 9.651 8.482 1.00 0.00 H new ATOM 980 N GLU B1112 -5.126 7.570 -0.804 1.00 0.00 N ATOM 981 CA GLU B1112 -5.157 6.994 -2.137 1.00 0.00 C ATOM 982 C GLU B1112 -4.488 5.628 -2.136 1.00 0.00 C ATOM 983 O GLU B1112 -4.986 4.684 -2.749 1.00 0.00 O ATOM 984 CB GLU B1112 -4.428 7.908 -3.117 1.00 0.00 C ATOM 985 CG GLU B1112 -4.522 7.320 -4.527 1.00 0.00 C ATOM 986 CD GLU B1112 -3.859 8.259 -5.529 1.00 0.00 C ATOM 987 OE1 GLU B1112 -3.379 9.297 -5.108 1.00 0.00 O ATOM 988 OE2 GLU B1112 -3.842 7.923 -6.703 1.00 0.00 O ATOM 0 H GLU B1112 -4.588 8.433 -0.726 1.00 0.00 H new ATOM 0 HA GLU B1112 -6.198 6.886 -2.443 1.00 0.00 H new ATOM 0 HB2 GLU B1112 -4.868 8.905 -3.097 1.00 0.00 H new ATOM 0 HB3 GLU B1112 -3.383 8.014 -2.824 1.00 0.00 H new ATOM 0 HG2 GLU B1112 -4.038 6.344 -4.556 1.00 0.00 H new ATOM 0 HG3 GLU B1112 -5.567 7.166 -4.797 1.00 0.00 H new ATOM 995 N GLU B1113 -3.352 5.531 -1.447 1.00 0.00 N ATOM 996 CA GLU B1113 -2.631 4.271 -1.383 1.00 0.00 C ATOM 997 C GLU B1113 -3.464 3.217 -0.671 1.00 0.00 C ATOM 998 O GLU B1113 -3.485 2.059 -1.074 1.00 0.00 O ATOM 999 CB GLU B1113 -1.301 4.455 -0.653 1.00 0.00 C ATOM 1000 CG GLU B1113 -0.552 3.121 -0.617 1.00 0.00 C ATOM 1001 CD GLU B1113 -0.253 2.654 -2.038 1.00 0.00 C ATOM 1002 OE1 GLU B1113 -0.248 3.489 -2.927 1.00 0.00 O ATOM 1003 OE2 GLU B1113 -0.028 1.467 -2.215 1.00 0.00 O ATOM 0 H GLU B1113 -2.920 6.300 -0.934 1.00 0.00 H new ATOM 0 HA GLU B1113 -2.435 3.938 -2.402 1.00 0.00 H new ATOM 0 HB2 GLU B1113 -0.698 5.210 -1.158 1.00 0.00 H new ATOM 0 HB3 GLU B1113 -1.477 4.813 0.361 1.00 0.00 H new ATOM 0 HG2 GLU B1113 0.377 3.231 -0.058 1.00 0.00 H new ATOM 0 HG3 GLU B1113 -1.150 2.372 -0.097 1.00 0.00 H new ATOM 1010 N PHE B1114 -4.139 3.623 0.394 1.00 0.00 N ATOM 1011 CA PHE B1114 -4.959 2.696 1.160 1.00 0.00 C ATOM 1012 C PHE B1114 -6.077 2.121 0.296 1.00 0.00 C ATOM 1013 O PHE B1114 -6.332 0.919 0.322 1.00 0.00 O ATOM 1014 CB PHE B1114 -5.576 3.413 2.362 1.00 0.00 C ATOM 1015 CG PHE B1114 -4.616 3.394 3.535 1.00 0.00 C ATOM 1016 CD1 PHE B1114 -3.231 3.483 3.324 1.00 0.00 C ATOM 1017 CD2 PHE B1114 -5.116 3.291 4.839 1.00 0.00 C ATOM 1018 CE1 PHE B1114 -2.353 3.467 4.420 1.00 0.00 C ATOM 1019 CE2 PHE B1114 -4.238 3.273 5.929 1.00 0.00 C ATOM 1020 CZ PHE B1114 -2.859 3.361 5.720 1.00 0.00 C ATOM 0 H PHE B1114 -4.136 4.580 0.746 1.00 0.00 H new ATOM 0 HA PHE B1114 -4.319 1.883 1.503 1.00 0.00 H new ATOM 0 HB2 PHE B1114 -5.816 4.443 2.096 1.00 0.00 H new ATOM 0 HB3 PHE B1114 -6.512 2.929 2.641 1.00 0.00 H new ATOM 0 HD1 PHE B1114 -2.841 3.564 2.320 1.00 0.00 H new ATOM 0 HD2 PHE B1114 -6.181 3.225 5.004 1.00 0.00 H new ATOM 0 HE1 PHE B1114 -1.287 3.537 4.259 1.00 0.00 H new ATOM 0 HE2 PHE B1114 -4.627 3.191 6.933 1.00 0.00 H new ATOM 0 HZ PHE B1114 -2.184 3.347 6.563 1.00 0.00 H new ATOM 1030 N HIS B1115 -6.736 2.979 -0.482 1.00 0.00 N ATOM 1031 CA HIS B1115 -7.808 2.528 -1.350 1.00 0.00 C ATOM 1032 C HIS B1115 -7.293 1.533 -2.382 1.00 0.00 C ATOM 1033 O HIS B1115 -7.875 0.465 -2.572 1.00 0.00 O ATOM 1034 CB HIS B1115 -8.431 3.731 -2.050 1.00 0.00 C ATOM 1035 CG HIS B1115 -9.330 3.253 -3.146 1.00 0.00 C ATOM 1036 ND1 HIS B1115 -10.585 2.714 -2.915 1.00 0.00 N ATOM 1037 CD2 HIS B1115 -9.145 3.216 -4.497 1.00 0.00 C ATOM 1038 CE1 HIS B1115 -11.104 2.378 -4.110 1.00 0.00 C ATOM 1039 NE2 HIS B1115 -10.265 2.664 -5.111 1.00 0.00 N ATOM 0 H HIS B1115 -6.544 3.980 -0.525 1.00 0.00 H new ATOM 0 HA HIS B1115 -8.561 2.025 -0.743 1.00 0.00 H new ATOM 0 HB2 HIS B1115 -8.996 4.330 -1.336 1.00 0.00 H new ATOM 0 HB3 HIS B1115 -7.651 4.373 -2.458 1.00 0.00 H new ATOM 0 HD2 HIS B1115 -8.262 3.563 -5.013 1.00 0.00 H new ATOM 0 HE1 HIS B1115 -12.078 1.932 -4.244 1.00 0.00 H new ATOM 0 HE2 HIS B1115 -10.414 2.511 -6.108 1.00 0.00 H new ATOM 1047 N ARG B1116 -6.196 1.888 -3.045 1.00 0.00 N ATOM 1048 CA ARG B1116 -5.613 1.016 -4.053 1.00 0.00 C ATOM 1049 C ARG B1116 -5.171 -0.302 -3.431 1.00 0.00 C ATOM 1050 O ARG B1116 -5.411 -1.374 -3.989 1.00 0.00 O ATOM 1051 CB ARG B1116 -4.411 1.695 -4.699 1.00 0.00 C ATOM 1052 CG ARG B1116 -3.832 0.774 -5.769 1.00 0.00 C ATOM 1053 CD ARG B1116 -2.669 1.472 -6.459 1.00 0.00 C ATOM 1054 NE ARG B1116 -3.147 2.602 -7.251 1.00 0.00 N ATOM 1055 CZ ARG B1116 -2.304 3.427 -7.879 1.00 0.00 C ATOM 1056 NH1 ARG B1116 -1.008 3.251 -7.800 1.00 0.00 N ATOM 1057 NH2 ARG B1116 -2.776 4.421 -8.581 1.00 0.00 N ATOM 0 H ARG B1116 -5.698 2.767 -2.902 1.00 0.00 H new ATOM 0 HA ARG B1116 -6.371 0.815 -4.810 1.00 0.00 H new ATOM 0 HB2 ARG B1116 -4.709 2.645 -5.142 1.00 0.00 H new ATOM 0 HB3 ARG B1116 -3.655 1.918 -3.946 1.00 0.00 H new ATOM 0 HG2 ARG B1116 -3.495 -0.159 -5.318 1.00 0.00 H new ATOM 0 HG3 ARG B1116 -4.600 0.516 -6.498 1.00 0.00 H new ATOM 0 HD2 ARG B1116 -1.953 1.819 -5.715 1.00 0.00 H new ATOM 0 HD3 ARG B1116 -2.144 0.766 -7.102 1.00 0.00 H new ATOM 0 HE ARG B1116 -4.151 2.766 -7.327 1.00 0.00 H new ATOM 0 HH11 ARG B1116 -0.631 2.476 -7.254 1.00 0.00 H new ATOM 0 HH12 ARG B1116 -0.376 3.889 -8.285 1.00 0.00 H new ATOM 0 HH21 ARG B1116 -3.784 4.565 -8.648 1.00 0.00 H new ATOM 0 HH22 ARG B1116 -2.137 5.054 -9.062 1.00 0.00 H new ATOM 1071 N ARG B1117 -4.522 -0.218 -2.273 1.00 0.00 N ATOM 1072 CA ARG B1117 -4.054 -1.412 -1.591 1.00 0.00 C ATOM 1073 C ARG B1117 -5.224 -2.317 -1.231 1.00 0.00 C ATOM 1074 O ARG B1117 -5.148 -3.533 -1.405 1.00 0.00 O ATOM 1075 CB ARG B1117 -3.268 -1.037 -0.329 1.00 0.00 C ATOM 1076 CG ARG B1117 -1.866 -0.553 -0.716 1.00 0.00 C ATOM 1077 CD ARG B1117 -1.040 -0.354 0.555 1.00 0.00 C ATOM 1078 NE ARG B1117 0.357 -0.067 0.231 1.00 0.00 N ATOM 1079 CZ ARG B1117 1.320 -0.200 1.142 1.00 0.00 C ATOM 1080 NH1 ARG B1117 1.045 -0.580 2.364 1.00 0.00 N ATOM 1081 NH2 ARG B1117 2.549 0.043 0.805 1.00 0.00 N ATOM 0 H ARG B1117 -4.312 0.658 -1.794 1.00 0.00 H new ATOM 0 HA ARG B1117 -3.392 -1.953 -2.267 1.00 0.00 H new ATOM 0 HB2 ARG B1117 -3.794 -0.256 0.220 1.00 0.00 H new ATOM 0 HB3 ARG B1117 -3.195 -1.899 0.335 1.00 0.00 H new ATOM 0 HG2 ARG B1117 -1.383 -1.280 -1.369 1.00 0.00 H new ATOM 0 HG3 ARG B1117 -1.931 0.382 -1.273 1.00 0.00 H new ATOM 0 HD2 ARG B1117 -1.457 0.466 1.140 1.00 0.00 H new ATOM 0 HD3 ARG B1117 -1.097 -1.249 1.174 1.00 0.00 H new ATOM 0 HE ARG B1117 0.599 0.241 -0.711 1.00 0.00 H new ATOM 0 HH11 ARG B1117 0.081 -0.779 2.631 1.00 0.00 H new ATOM 0 HH12 ARG B1117 1.795 -0.677 3.049 1.00 0.00 H new ATOM 0 HH21 ARG B1117 2.769 0.332 -0.148 1.00 0.00 H new ATOM 0 HH22 ARG B1117 3.295 -0.055 1.493 1.00 0.00 H new ATOM 1095 N LEU B1118 -6.314 -1.726 -0.752 1.00 0.00 N ATOM 1096 CA LEU B1118 -7.486 -2.517 -0.403 1.00 0.00 C ATOM 1097 C LEU B1118 -8.046 -3.210 -1.642 1.00 0.00 C ATOM 1098 O LEU B1118 -8.439 -4.375 -1.589 1.00 0.00 O ATOM 1099 CB LEU B1118 -8.559 -1.620 0.215 1.00 0.00 C ATOM 1100 CG LEU B1118 -8.119 -1.189 1.613 1.00 0.00 C ATOM 1101 CD1 LEU B1118 -9.027 -0.063 2.108 1.00 0.00 C ATOM 1102 CD2 LEU B1118 -8.227 -2.382 2.564 1.00 0.00 C ATOM 0 H LEU B1118 -6.409 -0.722 -0.599 1.00 0.00 H new ATOM 0 HA LEU B1118 -7.190 -3.275 0.323 1.00 0.00 H new ATOM 0 HB2 LEU B1118 -8.722 -0.744 -0.413 1.00 0.00 H new ATOM 0 HB3 LEU B1118 -9.508 -2.154 0.269 1.00 0.00 H new ATOM 0 HG LEU B1118 -7.088 -0.837 1.580 1.00 0.00 H new ATOM 0 HD11 LEU B1118 -8.714 0.245 3.106 1.00 0.00 H new ATOM 0 HD12 LEU B1118 -8.958 0.786 1.428 1.00 0.00 H new ATOM 0 HD13 LEU B1118 -10.058 -0.416 2.144 1.00 0.00 H new ATOM 0 HD21 LEU B1118 -7.914 -2.080 3.564 1.00 0.00 H new ATOM 0 HD22 LEU B1118 -9.260 -2.729 2.596 1.00 0.00 H new ATOM 0 HD23 LEU B1118 -7.584 -3.188 2.211 1.00 0.00 H new ATOM 1114 N LYS B1119 -8.072 -2.486 -2.757 1.00 0.00 N ATOM 1115 CA LYS B1119 -8.580 -3.041 -4.006 1.00 0.00 C ATOM 1116 C LYS B1119 -7.729 -4.223 -4.454 1.00 0.00 C ATOM 1117 O LYS B1119 -8.255 -5.259 -4.859 1.00 0.00 O ATOM 1118 CB LYS B1119 -8.553 -1.981 -5.100 1.00 0.00 C ATOM 1119 CG LYS B1119 -9.175 -2.556 -6.377 1.00 0.00 C ATOM 1120 CD LYS B1119 -9.102 -1.520 -7.499 1.00 0.00 C ATOM 1121 CE LYS B1119 -7.656 -1.406 -7.983 1.00 0.00 C ATOM 1122 NZ LYS B1119 -7.593 -0.483 -9.151 1.00 0.00 N ATOM 0 H LYS B1119 -7.750 -1.520 -2.821 1.00 0.00 H new ATOM 0 HA LYS B1119 -9.604 -3.374 -3.834 1.00 0.00 H new ATOM 0 HB2 LYS B1119 -9.104 -1.097 -4.779 1.00 0.00 H new ATOM 0 HB3 LYS B1119 -7.527 -1.665 -5.291 1.00 0.00 H new ATOM 0 HG2 LYS B1119 -8.648 -3.464 -6.672 1.00 0.00 H new ATOM 0 HG3 LYS B1119 -10.213 -2.835 -6.194 1.00 0.00 H new ATOM 0 HD2 LYS B1119 -9.752 -1.812 -8.323 1.00 0.00 H new ATOM 0 HD3 LYS B1119 -9.456 -0.553 -7.141 1.00 0.00 H new ATOM 0 HE2 LYS B1119 -7.020 -1.035 -7.179 1.00 0.00 H new ATOM 0 HE3 LYS B1119 -7.276 -2.389 -8.262 1.00 0.00 H new ATOM 0 HZ1 LYS B1119 -6.609 -0.406 -9.480 1.00 0.00 H new ATOM 0 HZ2 LYS B1119 -8.187 -0.855 -9.920 1.00 0.00 H new ATOM 0 HZ3 LYS B1119 -7.939 0.457 -8.870 1.00 0.00 H new ATOM 1136 N VAL B1120 -6.409 -4.057 -4.390 1.00 0.00 N ATOM 1137 CA VAL B1120 -5.499 -5.114 -4.804 1.00 0.00 C ATOM 1138 C VAL B1120 -5.718 -6.352 -3.947 1.00 0.00 C ATOM 1139 O VAL B1120 -5.741 -7.474 -4.450 1.00 0.00 O ATOM 1140 CB VAL B1120 -4.054 -4.642 -4.664 1.00 0.00 C ATOM 1141 CG1 VAL B1120 -3.107 -5.818 -4.910 1.00 0.00 C ATOM 1142 CG2 VAL B1120 -3.779 -3.539 -5.687 1.00 0.00 C ATOM 0 H VAL B1120 -5.953 -3.207 -4.058 1.00 0.00 H new ATOM 0 HA VAL B1120 -5.696 -5.361 -5.847 1.00 0.00 H new ATOM 0 HB VAL B1120 -3.893 -4.253 -3.659 1.00 0.00 H new ATOM 0 HG11 VAL B1120 -2.075 -5.481 -4.810 1.00 0.00 H new ATOM 0 HG12 VAL B1120 -3.305 -6.603 -4.180 1.00 0.00 H new ATOM 0 HG13 VAL B1120 -3.265 -6.209 -5.915 1.00 0.00 H new ATOM 0 HG21 VAL B1120 -2.748 -3.200 -5.589 1.00 0.00 H new ATOM 0 HG22 VAL B1120 -3.939 -3.927 -6.693 1.00 0.00 H new ATOM 0 HG23 VAL B1120 -4.454 -2.702 -5.510 1.00 0.00 H new ATOM 1152 N TYR B1121 -5.879 -6.135 -2.648 1.00 0.00 N ATOM 1153 CA TYR B1121 -6.099 -7.239 -1.722 1.00 0.00 C ATOM 1154 C TYR B1121 -7.354 -8.008 -2.107 1.00 0.00 C ATOM 1155 O TYR B1121 -7.350 -9.237 -2.161 1.00 0.00 O ATOM 1156 CB TYR B1121 -6.233 -6.713 -0.291 1.00 0.00 C ATOM 1157 CG TYR B1121 -6.543 -7.860 0.641 1.00 0.00 C ATOM 1158 CD1 TYR B1121 -5.549 -8.795 0.955 1.00 0.00 C ATOM 1159 CD2 TYR B1121 -7.822 -7.984 1.199 1.00 0.00 C ATOM 1160 CE1 TYR B1121 -5.834 -9.856 1.823 1.00 0.00 C ATOM 1161 CE2 TYR B1121 -8.106 -9.046 2.067 1.00 0.00 C ATOM 1162 CZ TYR B1121 -7.113 -9.981 2.381 1.00 0.00 C ATOM 1163 OH TYR B1121 -7.392 -11.026 3.237 1.00 0.00 O ATOM 0 H TYR B1121 -5.862 -5.212 -2.214 1.00 0.00 H new ATOM 0 HA TYR B1121 -5.241 -7.910 -1.775 1.00 0.00 H new ATOM 0 HB2 TYR B1121 -5.309 -6.221 0.015 1.00 0.00 H new ATOM 0 HB3 TYR B1121 -7.024 -5.965 -0.240 1.00 0.00 H new ATOM 0 HD1 TYR B1121 -4.562 -8.698 0.527 1.00 0.00 H new ATOM 0 HD2 TYR B1121 -8.588 -7.261 0.960 1.00 0.00 H new ATOM 0 HE1 TYR B1121 -5.068 -10.578 2.062 1.00 0.00 H new ATOM 0 HE2 TYR B1121 -9.093 -9.144 2.495 1.00 0.00 H new ATOM 0 HH TYR B1121 -8.324 -10.965 3.535 1.00 0.00 H new ATOM 1173 N HIS B1122 -8.426 -7.274 -2.373 1.00 0.00 N ATOM 1174 CA HIS B1122 -9.685 -7.899 -2.754 1.00 0.00 C ATOM 1175 C HIS B1122 -9.507 -8.723 -4.024 1.00 0.00 C ATOM 1176 O HIS B1122 -9.950 -9.869 -4.096 1.00 0.00 O ATOM 1177 CB HIS B1122 -10.756 -6.829 -2.981 1.00 0.00 C ATOM 1178 CG HIS B1122 -12.042 -7.483 -3.412 1.00 0.00 C ATOM 1179 ND1 HIS B1122 -12.820 -8.231 -2.539 1.00 0.00 N ATOM 1180 CD2 HIS B1122 -12.704 -7.505 -4.616 1.00 0.00 C ATOM 1181 CE1 HIS B1122 -13.893 -8.666 -3.224 1.00 0.00 C ATOM 1182 NE2 HIS B1122 -13.871 -8.253 -4.494 1.00 0.00 N ATOM 0 H HIS B1122 -8.450 -6.255 -2.333 1.00 0.00 H new ATOM 0 HA HIS B1122 -10.001 -8.559 -1.946 1.00 0.00 H new ATOM 0 HB2 HIS B1122 -10.915 -6.260 -2.065 1.00 0.00 H new ATOM 0 HB3 HIS B1122 -10.423 -6.123 -3.742 1.00 0.00 H new ATOM 0 HD2 HIS B1122 -12.370 -7.016 -5.519 1.00 0.00 H new ATOM 0 HE1 HIS B1122 -14.677 -9.275 -2.799 1.00 0.00 H new ATOM 0 HE2 HIS B1122 -14.562 -8.445 -5.219 1.00 0.00 H new ATOM 1190 N ALA B1123 -8.857 -8.135 -5.027 1.00 0.00 N ATOM 1191 CA ALA B1123 -8.637 -8.839 -6.285 1.00 0.00 C ATOM 1192 C ALA B1123 -7.792 -10.094 -6.071 1.00 0.00 C ATOM 1193 O ALA B1123 -8.081 -11.148 -6.637 1.00 0.00 O ATOM 1194 CB ALA B1123 -7.937 -7.915 -7.283 1.00 0.00 C ATOM 0 H ALA B1123 -8.480 -7.188 -4.994 1.00 0.00 H new ATOM 0 HA ALA B1123 -9.608 -9.139 -6.680 1.00 0.00 H new ATOM 0 HB1 ALA B1123 -7.776 -8.447 -8.220 1.00 0.00 H new ATOM 0 HB2 ALA B1123 -8.559 -7.039 -7.466 1.00 0.00 H new ATOM 0 HB3 ALA B1123 -6.977 -7.600 -6.875 1.00 0.00 H new ATOM 1200 N TRP B1124 -6.750 -9.985 -5.253 1.00 0.00 N ATOM 1201 CA TRP B1124 -5.890 -11.116 -4.981 1.00 0.00 C ATOM 1202 C TRP B1124 -6.684 -12.243 -4.326 1.00 0.00 C ATOM 1203 O TRP B1124 -6.582 -13.403 -4.724 1.00 0.00 O ATOM 1204 CB TRP B1124 -4.751 -10.664 -4.075 1.00 0.00 C ATOM 1205 CG TRP B1124 -3.895 -11.830 -3.755 1.00 0.00 C ATOM 1206 CD1 TRP B1124 -2.940 -12.324 -4.562 1.00 0.00 C ATOM 1207 CD2 TRP B1124 -3.890 -12.643 -2.559 1.00 0.00 C ATOM 1208 NE1 TRP B1124 -2.349 -13.411 -3.939 1.00 0.00 N ATOM 1209 CE2 TRP B1124 -2.903 -13.642 -2.694 1.00 0.00 C ATOM 1210 CE3 TRP B1124 -4.646 -12.605 -1.382 1.00 0.00 C ATOM 1211 CZ2 TRP B1124 -2.676 -14.582 -1.688 1.00 0.00 C ATOM 1212 CZ3 TRP B1124 -4.423 -13.541 -0.364 1.00 0.00 C ATOM 1213 CH2 TRP B1124 -3.439 -14.531 -0.516 1.00 0.00 C ATOM 0 H TRP B1124 -6.487 -9.125 -4.772 1.00 0.00 H new ATOM 0 HA TRP B1124 -5.479 -11.496 -5.916 1.00 0.00 H new ATOM 0 HB2 TRP B1124 -4.163 -9.890 -4.568 1.00 0.00 H new ATOM 0 HB3 TRP B1124 -5.149 -10.227 -3.159 1.00 0.00 H new ATOM 0 HD1 TRP B1124 -2.677 -11.937 -5.535 1.00 0.00 H new ATOM 0 HE1 TRP B1124 -1.600 -13.970 -4.347 1.00 0.00 H new ATOM 0 HE3 TRP B1124 -5.407 -11.849 -1.258 1.00 0.00 H new ATOM 0 HZ2 TRP B1124 -1.919 -15.342 -1.813 1.00 0.00 H new ATOM 0 HZ3 TRP B1124 -5.010 -13.501 0.541 1.00 0.00 H new ATOM 0 HH2 TRP B1124 -3.271 -15.252 0.270 1.00 0.00 H new ATOM 1224 N LYS B1125 -7.483 -11.889 -3.326 1.00 0.00 N ATOM 1225 CA LYS B1125 -8.304 -12.870 -2.621 1.00 0.00 C ATOM 1226 C LYS B1125 -9.288 -13.517 -3.569 1.00 0.00 C ATOM 1227 O LYS B1125 -9.553 -14.706 -3.486 1.00 0.00 O ATOM 1228 CB LYS B1125 -9.069 -12.189 -1.483 1.00 0.00 C ATOM 1229 CG LYS B1125 -8.104 -11.823 -0.355 1.00 0.00 C ATOM 1230 CD LYS B1125 -7.734 -13.083 0.424 1.00 0.00 C ATOM 1231 CE LYS B1125 -8.868 -13.437 1.389 1.00 0.00 C ATOM 1232 NZ LYS B1125 -8.471 -14.614 2.213 1.00 0.00 N ATOM 0 H LYS B1125 -7.581 -10.933 -2.985 1.00 0.00 H new ATOM 0 HA LYS B1125 -7.647 -13.638 -2.212 1.00 0.00 H new ATOM 0 HB2 LYS B1125 -9.567 -11.293 -1.853 1.00 0.00 H new ATOM 0 HB3 LYS B1125 -9.847 -12.854 -1.107 1.00 0.00 H new ATOM 0 HG2 LYS B1125 -7.207 -11.359 -0.765 1.00 0.00 H new ATOM 0 HG3 LYS B1125 -8.565 -11.093 0.310 1.00 0.00 H new ATOM 0 HD2 LYS B1125 -7.556 -13.910 -0.264 1.00 0.00 H new ATOM 0 HD3 LYS B1125 -6.808 -12.923 0.977 1.00 0.00 H new ATOM 0 HE2 LYS B1125 -9.090 -12.587 2.034 1.00 0.00 H new ATOM 0 HE3 LYS B1125 -9.778 -13.660 0.832 1.00 0.00 H new ATOM 0 HZ1 LYS B1125 -9.242 -14.855 2.869 1.00 0.00 H new ATOM 0 HZ2 LYS B1125 -8.280 -15.425 1.591 1.00 0.00 H new ATOM 0 HZ3 LYS B1125 -7.614 -14.385 2.755 1.00 0.00 H new ATOM 1246 N SER B1126 -9.826 -12.723 -4.463 1.00 0.00 N ATOM 1247 CA SER B1126 -10.784 -13.232 -5.428 1.00 0.00 C ATOM 1248 C SER B1126 -10.128 -14.292 -6.306 1.00 0.00 C ATOM 1249 O SER B1126 -10.735 -15.310 -6.615 1.00 0.00 O ATOM 1250 CB SER B1126 -11.312 -12.094 -6.302 1.00 0.00 C ATOM 1251 OG SER B1126 -12.064 -11.196 -5.497 1.00 0.00 O ATOM 0 H SER B1126 -9.622 -11.727 -4.547 1.00 0.00 H new ATOM 0 HA SER B1126 -11.618 -13.680 -4.887 1.00 0.00 H new ATOM 0 HB2 SER B1126 -10.483 -11.569 -6.776 1.00 0.00 H new ATOM 0 HB3 SER B1126 -11.935 -12.493 -7.102 1.00 0.00 H new ATOM 0 HG SER B1126 -11.455 -10.662 -4.946 1.00 0.00 H new ATOM 1382 N GLU A 47 1.076 -17.784 -0.481 1.00 0.00 N ATOM 1383 CA GLU A 47 -0.087 -16.941 -0.728 1.00 0.00 C ATOM 1384 C GLU A 47 -0.247 -15.911 0.383 1.00 0.00 C ATOM 1385 O GLU A 47 -0.543 -14.744 0.128 1.00 0.00 O ATOM 1386 CB GLU A 47 -1.341 -17.807 -0.792 1.00 0.00 C ATOM 1387 CG GLU A 47 -1.301 -18.674 -2.049 1.00 0.00 C ATOM 1388 CD GLU A 47 -2.508 -19.603 -2.082 1.00 0.00 C ATOM 1389 OE1 GLU A 47 -3.240 -19.627 -1.106 1.00 0.00 O ATOM 1390 OE2 GLU A 47 -2.682 -20.282 -3.081 1.00 0.00 O ATOM 0 HA GLU A 47 0.056 -16.421 -1.675 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -1.406 -18.437 0.095 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -2.230 -17.177 -0.801 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -1.295 -18.041 -2.937 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -0.381 -19.259 -2.068 1.00 0.00 H new ATOM 1397 N ASN A 48 -0.043 -16.345 1.619 1.00 0.00 N ATOM 1398 CA ASN A 48 -0.169 -15.443 2.752 1.00 0.00 C ATOM 1399 C ASN A 48 0.851 -14.319 2.642 1.00 0.00 C ATOM 1400 O ASN A 48 0.553 -13.163 2.940 1.00 0.00 O ATOM 1401 CB ASN A 48 0.044 -16.205 4.059 1.00 0.00 C ATOM 1402 CG ASN A 48 -1.132 -17.139 4.309 1.00 0.00 C ATOM 1403 OD1 ASN A 48 -0.942 -18.333 4.544 1.00 0.00 O ATOM 1404 ND2 ASN A 48 -2.346 -16.665 4.260 1.00 0.00 N ATOM 0 H ASN A 48 0.207 -17.304 1.860 1.00 0.00 H new ATOM 0 HA ASN A 48 -1.172 -15.017 2.748 1.00 0.00 H new ATOM 0 HB2 ASN A 48 0.971 -16.777 4.010 1.00 0.00 H new ATOM 0 HB3 ASN A 48 0.146 -15.504 4.887 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -3.142 -17.284 4.417 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -2.500 -15.676 4.065 1.00 0.00 H new ATOM 1411 N ASP A 49 2.051 -14.669 2.207 1.00 0.00 N ATOM 1412 CA ASP A 49 3.107 -13.678 2.055 1.00 0.00 C ATOM 1413 C ASP A 49 2.710 -12.632 1.020 1.00 0.00 C ATOM 1414 O ASP A 49 2.958 -11.438 1.199 1.00 0.00 O ATOM 1415 CB ASP A 49 4.408 -14.361 1.633 1.00 0.00 C ATOM 1416 CG ASP A 49 4.978 -15.159 2.801 1.00 0.00 C ATOM 1417 OD1 ASP A 49 4.511 -14.963 3.910 1.00 0.00 O ATOM 1418 OD2 ASP A 49 5.873 -15.956 2.568 1.00 0.00 O ATOM 0 H ASP A 49 2.318 -15.621 1.955 1.00 0.00 H new ATOM 0 HA ASP A 49 3.259 -13.181 3.013 1.00 0.00 H new ATOM 0 HB2 ASP A 49 4.224 -15.021 0.786 1.00 0.00 H new ATOM 0 HB3 ASP A 49 5.131 -13.614 1.304 1.00 0.00 H new ATOM 1423 N GLU A 50 2.092 -13.087 -0.065 1.00 0.00 N ATOM 1424 CA GLU A 50 1.668 -12.176 -1.122 1.00 0.00 C ATOM 1425 C GLU A 50 0.632 -11.188 -0.593 1.00 0.00 C ATOM 1426 O GLU A 50 0.684 -9.995 -0.896 1.00 0.00 O ATOM 1427 CB GLU A 50 1.064 -12.969 -2.282 1.00 0.00 C ATOM 1428 CG GLU A 50 2.166 -13.767 -2.982 1.00 0.00 C ATOM 1429 CD GLU A 50 1.568 -14.591 -4.117 1.00 0.00 C ATOM 1430 OE1 GLU A 50 0.353 -14.611 -4.232 1.00 0.00 O ATOM 1431 OE2 GLU A 50 2.332 -15.188 -4.855 1.00 0.00 O ATOM 0 H GLU A 50 1.876 -14.069 -0.235 1.00 0.00 H new ATOM 0 HA GLU A 50 2.541 -11.624 -1.471 1.00 0.00 H new ATOM 0 HB2 GLU A 50 0.291 -13.643 -1.913 1.00 0.00 H new ATOM 0 HB3 GLU A 50 0.585 -12.292 -2.989 1.00 0.00 H new ATOM 0 HG2 GLU A 50 2.925 -13.090 -3.373 1.00 0.00 H new ATOM 0 HG3 GLU A 50 2.662 -14.423 -2.267 1.00 0.00 H new ATOM 1438 N ALA A 51 -0.305 -11.690 0.207 1.00 0.00 N ATOM 1439 CA ALA A 51 -1.340 -10.833 0.772 1.00 0.00 C ATOM 1440 C ALA A 51 -0.717 -9.779 1.681 1.00 0.00 C ATOM 1441 O ALA A 51 -1.134 -8.621 1.679 1.00 0.00 O ATOM 1442 CB ALA A 51 -2.354 -11.664 1.556 1.00 0.00 C ATOM 0 H ALA A 51 -0.368 -12.672 0.475 1.00 0.00 H new ATOM 0 HA ALA A 51 -1.856 -10.333 -0.047 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -3.119 -11.008 1.971 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -2.821 -12.391 0.891 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -1.847 -12.187 2.367 1.00 0.00 H new ATOM 1448 N PHE A 52 0.289 -10.181 2.454 1.00 0.00 N ATOM 1449 CA PHE A 52 0.959 -9.248 3.351 1.00 0.00 C ATOM 1450 C PHE A 52 1.590 -8.109 2.565 1.00 0.00 C ATOM 1451 O PHE A 52 1.477 -6.945 2.946 1.00 0.00 O ATOM 1452 CB PHE A 52 2.050 -9.965 4.149 1.00 0.00 C ATOM 1453 CG PHE A 52 1.503 -10.428 5.477 1.00 0.00 C ATOM 1454 CD1 PHE A 52 1.141 -11.769 5.663 1.00 0.00 C ATOM 1455 CD2 PHE A 52 1.368 -9.516 6.532 1.00 0.00 C ATOM 1456 CE1 PHE A 52 0.649 -12.195 6.902 1.00 0.00 C ATOM 1457 CE2 PHE A 52 0.876 -9.943 7.766 1.00 0.00 C ATOM 1458 CZ PHE A 52 0.516 -11.282 7.954 1.00 0.00 C ATOM 0 H PHE A 52 0.653 -11.134 2.477 1.00 0.00 H new ATOM 0 HA PHE A 52 0.211 -8.845 4.034 1.00 0.00 H new ATOM 0 HB2 PHE A 52 2.423 -10.819 3.583 1.00 0.00 H new ATOM 0 HB3 PHE A 52 2.894 -9.295 4.309 1.00 0.00 H new ATOM 0 HD1 PHE A 52 1.242 -12.473 4.851 1.00 0.00 H new ATOM 0 HD2 PHE A 52 1.645 -8.482 6.390 1.00 0.00 H new ATOM 0 HE1 PHE A 52 0.372 -13.229 7.046 1.00 0.00 H new ATOM 0 HE2 PHE A 52 0.773 -9.238 8.578 1.00 0.00 H new ATOM 0 HZ PHE A 52 0.136 -11.610 8.910 1.00 0.00 H new ATOM 1468 N ALA A 53 2.247 -8.445 1.460 1.00 0.00 N ATOM 1469 CA ALA A 53 2.885 -7.431 0.629 1.00 0.00 C ATOM 1470 C ALA A 53 1.845 -6.462 0.085 1.00 0.00 C ATOM 1471 O ALA A 53 2.081 -5.258 0.010 1.00 0.00 O ATOM 1472 CB ALA A 53 3.622 -8.088 -0.536 1.00 0.00 C ATOM 0 H ALA A 53 2.351 -9.402 1.122 1.00 0.00 H new ATOM 0 HA ALA A 53 3.599 -6.884 1.245 1.00 0.00 H new ATOM 0 HB1 ALA A 53 4.094 -7.319 -1.148 1.00 0.00 H new ATOM 0 HB2 ALA A 53 4.386 -8.763 -0.149 1.00 0.00 H new ATOM 0 HB3 ALA A 53 2.914 -8.651 -1.143 1.00 0.00 H new ATOM 1478 N ILE A 54 0.695 -6.993 -0.299 1.00 0.00 N ATOM 1479 CA ILE A 54 -0.367 -6.161 -0.838 1.00 0.00 C ATOM 1480 C ILE A 54 -0.801 -5.111 0.179 1.00 0.00 C ATOM 1481 O ILE A 54 -1.045 -3.956 -0.172 1.00 0.00 O ATOM 1482 CB ILE A 54 -1.566 -7.029 -1.219 1.00 0.00 C ATOM 1483 CG1 ILE A 54 -1.212 -7.890 -2.433 1.00 0.00 C ATOM 1484 CG2 ILE A 54 -2.755 -6.135 -1.560 1.00 0.00 C ATOM 1485 CD1 ILE A 54 -2.310 -8.929 -2.664 1.00 0.00 C ATOM 0 H ILE A 54 0.475 -7.988 -0.248 1.00 0.00 H new ATOM 0 HA ILE A 54 0.013 -5.653 -1.724 1.00 0.00 H new ATOM 0 HB ILE A 54 -1.825 -7.675 -0.380 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -1.100 -7.262 -3.317 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -0.255 -8.387 -2.272 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -3.610 -6.754 -1.832 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -3.010 -5.523 -0.695 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -2.495 -5.488 -2.398 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -2.056 -9.541 -3.529 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -2.400 -9.565 -1.783 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -3.258 -8.422 -2.844 1.00 0.00 H new ATOM 1497 N LEU A 55 -0.916 -5.520 1.433 1.00 0.00 N ATOM 1498 CA LEU A 55 -1.345 -4.607 2.485 1.00 0.00 C ATOM 1499 C LEU A 55 -0.160 -4.089 3.300 1.00 0.00 C ATOM 1500 O LEU A 55 -0.330 -3.640 4.432 1.00 0.00 O ATOM 1501 CB LEU A 55 -2.338 -5.320 3.403 1.00 0.00 C ATOM 1502 CG LEU A 55 -3.534 -5.806 2.576 1.00 0.00 C ATOM 1503 CD1 LEU A 55 -4.485 -6.604 3.466 1.00 0.00 C ATOM 1504 CD2 LEU A 55 -4.282 -4.603 1.995 1.00 0.00 C ATOM 0 H LEU A 55 -0.720 -6.470 1.747 1.00 0.00 H new ATOM 0 HA LEU A 55 -1.824 -3.748 2.016 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -1.855 -6.164 3.895 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -2.675 -4.644 4.188 1.00 0.00 H new ATOM 0 HG LEU A 55 -3.173 -6.439 1.766 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -5.334 -6.948 2.875 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -3.959 -7.464 3.881 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -4.841 -5.970 4.278 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -5.131 -4.952 1.408 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -4.638 -3.969 2.807 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -3.610 -4.031 1.356 1.00 0.00 H new ATOM 1516 N ASP A 56 1.037 -4.145 2.723 1.00 0.00 N ATOM 1517 CA ASP A 56 2.223 -3.664 3.424 1.00 0.00 C ATOM 1518 C ASP A 56 3.196 -3.007 2.453 1.00 0.00 C ATOM 1519 O ASP A 56 3.478 -1.815 2.547 1.00 0.00 O ATOM 1520 CB ASP A 56 2.921 -4.831 4.123 1.00 0.00 C ATOM 1521 CG ASP A 56 3.931 -4.313 5.139 1.00 0.00 C ATOM 1522 OD1 ASP A 56 3.783 -3.183 5.571 1.00 0.00 O ATOM 1523 OD2 ASP A 56 4.844 -5.055 5.466 1.00 0.00 O ATOM 0 H ASP A 56 1.210 -4.512 1.787 1.00 0.00 H new ATOM 0 HA ASP A 56 1.908 -2.926 4.161 1.00 0.00 H new ATOM 0 HB2 ASP A 56 2.183 -5.459 4.622 1.00 0.00 H new ATOM 0 HB3 ASP A 56 3.425 -5.456 3.386 1.00 0.00 H new ATOM 1528 N GLY A 57 3.697 -3.794 1.514 1.00 0.00 N ATOM 1529 CA GLY A 57 4.637 -3.276 0.528 1.00 0.00 C ATOM 1530 C GLY A 57 3.912 -2.663 -0.671 1.00 0.00 C ATOM 1531 O GLY A 57 4.547 -2.128 -1.579 1.00 0.00 O ATOM 0 H GLY A 57 3.473 -4.784 1.412 1.00 0.00 H new ATOM 0 HA2 GLY A 57 5.275 -2.524 0.992 1.00 0.00 H new ATOM 0 HA3 GLY A 57 5.289 -4.081 0.188 1.00 0.00 H new ATOM 1535 N GLY A 58 2.582 -2.749 -0.677 1.00 0.00 N ATOM 1536 CA GLY A 58 1.798 -2.201 -1.778 1.00 0.00 C ATOM 1537 C GLY A 58 1.988 -3.036 -3.041 1.00 0.00 C ATOM 1538 O GLY A 58 1.745 -2.560 -4.150 1.00 0.00 O ATOM 0 H GLY A 58 2.032 -3.188 0.061 1.00 0.00 H new ATOM 0 HA2 GLY A 58 0.743 -2.180 -1.505 1.00 0.00 H new ATOM 0 HA3 GLY A 58 2.099 -1.171 -1.968 1.00 0.00 H new ATOM 1542 N ALA A 59 2.430 -4.279 -2.867 1.00 0.00 N ATOM 1543 CA ALA A 59 2.661 -5.169 -4.002 1.00 0.00 C ATOM 1544 C ALA A 59 1.340 -5.644 -4.604 1.00 0.00 C ATOM 1545 O ALA A 59 0.301 -5.596 -3.955 1.00 0.00 O ATOM 1546 CB ALA A 59 3.469 -6.383 -3.551 1.00 0.00 C ATOM 0 H ALA A 59 2.634 -4.691 -1.957 1.00 0.00 H new ATOM 0 HA ALA A 59 3.213 -4.613 -4.760 1.00 0.00 H new ATOM 0 HB1 ALA A 59 3.638 -7.044 -4.401 1.00 0.00 H new ATOM 0 HB2 ALA A 59 4.428 -6.054 -3.151 1.00 0.00 H new ATOM 0 HB3 ALA A 59 2.918 -6.920 -2.779 1.00 0.00 H new ATOM 1552 N PRO A 60 1.362 -6.099 -5.829 1.00 0.00 N ATOM 1553 CA PRO A 60 0.137 -6.596 -6.517 1.00 0.00 C ATOM 1554 C PRO A 60 -0.327 -7.944 -5.965 1.00 0.00 C ATOM 1555 O PRO A 60 -1.482 -8.329 -6.136 1.00 0.00 O ATOM 1556 CB PRO A 60 0.570 -6.713 -7.978 1.00 0.00 C ATOM 1557 CG PRO A 60 2.044 -6.937 -7.929 1.00 0.00 C ATOM 1558 CD PRO A 60 2.551 -6.194 -6.694 1.00 0.00 C ATOM 0 HA PRO A 60 -0.715 -5.932 -6.375 1.00 0.00 H new ATOM 0 HB2 PRO A 60 0.062 -7.539 -8.475 1.00 0.00 H new ATOM 0 HB3 PRO A 60 0.327 -5.808 -8.535 1.00 0.00 H new ATOM 0 HG2 PRO A 60 2.273 -8.001 -7.864 1.00 0.00 H new ATOM 0 HG3 PRO A 60 2.524 -6.562 -8.833 1.00 0.00 H new ATOM 0 HD2 PRO A 60 3.360 -6.737 -6.204 1.00 0.00 H new ATOM 0 HD3 PRO A 60 2.939 -5.208 -6.951 1.00 0.00 H new ATOM 1566 N GLY A 61 0.584 -8.653 -5.304 1.00 0.00 N ATOM 1567 CA GLY A 61 0.255 -9.956 -4.734 1.00 0.00 C ATOM 1568 C GLY A 61 1.291 -11.001 -5.134 1.00 0.00 C ATOM 1569 O GLY A 61 0.950 -11.875 -5.915 1.00 0.00 O ATOM 1570 OXT GLY A 61 2.410 -10.912 -4.656 1.00 0.00 O ATOM 0 H GLY A 61 1.546 -8.351 -5.151 1.00 0.00 H new ATOM 0 HA2 GLY A 61 0.209 -9.881 -3.648 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -0.732 -10.268 -5.075 1.00 0.00 H new