USER MOD reduce.3.24.130724 H: found=0, std=0, add=633, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 636 hydrogens (7 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 NoAdj-H: A 15 HIP H2 : A 15 HIP N : A 14 ILE C :(H bumps) USER MOD Set 1.1: A 25 THR OG1 : rot 180:sc=0.000441 USER MOD Set 1.2: A 80 THR OG1 : rot 73:sc= 0.315 USER MOD Single : A 3 GLN : amide:sc= -0.173 X(o=-0.17,f=0) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 THR OG1 : rot 180:sc= -1.81! USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 180:sc= 0.0457 USER MOD Single : A 20 THR OG1 : rot 79:sc= 0.813 USER MOD Single : A 24 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0503) USER MOD Single : A 29 TYR OH : rot 165:sc= -0.372 USER MOD Single : A 34 ASN : amide:sc= -1.52 K(o=-1.5,f=-5.5!) USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 ASN : amide:sc= -0.109 K(o=-0.11,f=-0.8) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 THR OG1 : rot -106:sc= 0.0242 USER MOD Single : A 43 ASN : amide:sc= -1.09 K(o=-1.1,f=-9.3!) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 SER OG : rot 180:sc= 0.00454 USER MOD Single : A 48 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 52 SER OG : rot -45:sc= 0.168 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot 47:sc= 0.145 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 71 ASN : amide:sc= 0 X(o=0,f=-0.047) USER MOD Single : A 75 ASN : amide:sc= -5.6 K(o=-5.6,f=-19!) USER MOD Single : A 81 MET CE :methyl 164:sc= -0.461 (180deg=-0.834) USER MOD Single : A 82 LYS NZ :NH3+ 172:sc= 0.00287 (180deg=0.000915) USER MOD Single : A 83 SER OG : rot -36:sc= 0.113 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 2 -5.838 -9.879 -9.703 1.00 0.00 N ATOM 2 CA ALA A 2 -6.391 -9.282 -8.454 1.00 0.00 C ATOM 3 C ALA A 2 -5.461 -8.168 -7.968 1.00 0.00 C ATOM 4 O ALA A 2 -4.683 -8.353 -7.050 1.00 0.00 O ATOM 5 CB ALA A 2 -6.506 -10.365 -7.379 1.00 0.00 C ATOM 0 HA ALA A 2 -7.379 -8.866 -8.653 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -6.910 -9.929 -6.465 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -7.170 -11.156 -7.729 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -5.520 -10.783 -7.176 1.00 0.00 H new ATOM 13 N GLN A 3 -5.539 -7.013 -8.578 1.00 0.00 N ATOM 14 CA GLN A 3 -4.665 -5.876 -8.159 1.00 0.00 C ATOM 15 C GLN A 3 -5.509 -4.606 -8.043 1.00 0.00 C ATOM 16 O GLN A 3 -6.571 -4.504 -8.629 1.00 0.00 O ATOM 17 CB GLN A 3 -3.563 -5.664 -9.201 1.00 0.00 C ATOM 18 CG GLN A 3 -4.187 -5.528 -10.591 1.00 0.00 C ATOM 19 CD GLN A 3 -3.092 -5.627 -11.655 1.00 0.00 C ATOM 20 OE1 GLN A 3 -3.273 -6.270 -12.670 1.00 0.00 O ATOM 21 NE2 GLN A 3 -1.957 -5.014 -11.464 1.00 0.00 N ATOM 0 H GLN A 3 -6.172 -6.808 -9.351 1.00 0.00 H new ATOM 0 HA GLN A 3 -4.210 -6.103 -7.195 1.00 0.00 H new ATOM 0 HB2 GLN A 3 -2.989 -4.769 -8.960 1.00 0.00 H new ATOM 0 HB3 GLN A 3 -2.867 -6.503 -9.185 1.00 0.00 H new ATOM 0 HG2 GLN A 3 -4.930 -6.310 -10.745 1.00 0.00 H new ATOM 0 HG3 GLN A 3 -4.706 -4.573 -10.676 1.00 0.00 H new ATOM 0 HE21 GLN A 3 -1.806 -4.474 -10.612 1.00 0.00 H new ATOM 0 HE22 GLN A 3 -1.220 -5.074 -12.167 1.00 0.00 H new ATOM 30 N LYS A 4 -5.046 -3.640 -7.290 1.00 0.00 N ATOM 31 CA LYS A 4 -5.824 -2.375 -7.131 1.00 0.00 C ATOM 32 C LYS A 4 -4.866 -1.183 -7.073 1.00 0.00 C ATOM 33 O LYS A 4 -3.883 -1.199 -6.356 1.00 0.00 O ATOM 34 CB LYS A 4 -6.638 -2.439 -5.837 1.00 0.00 C ATOM 35 CG LYS A 4 -7.972 -1.712 -6.032 1.00 0.00 C ATOM 36 CD LYS A 4 -7.768 -0.202 -5.858 1.00 0.00 C ATOM 37 CE LYS A 4 -8.940 0.391 -5.068 1.00 0.00 C ATOM 38 NZ LYS A 4 -9.284 1.731 -5.621 1.00 0.00 N ATOM 0 H LYS A 4 -4.164 -3.673 -6.779 1.00 0.00 H new ATOM 0 HA LYS A 4 -6.496 -2.255 -7.981 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -6.816 -3.478 -5.558 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -6.079 -1.981 -5.021 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -8.370 -1.923 -7.024 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -8.704 -2.075 -5.311 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -6.831 -0.010 -5.336 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -7.694 0.279 -6.833 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -9.804 -0.271 -5.126 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -8.675 0.478 -4.014 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -10.079 2.134 -5.085 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -8.460 2.361 -5.543 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -9.553 1.635 -6.621 1.00 0.00 H new ATOM 52 N THR A 5 -5.151 -0.147 -7.822 1.00 0.00 N ATOM 53 CA THR A 5 -4.269 1.055 -7.817 1.00 0.00 C ATOM 54 C THR A 5 -4.820 2.082 -6.827 1.00 0.00 C ATOM 55 O THR A 5 -6.017 2.292 -6.743 1.00 0.00 O ATOM 56 CB THR A 5 -4.229 1.668 -9.219 1.00 0.00 C ATOM 57 OG1 THR A 5 -3.870 0.667 -10.161 1.00 0.00 O ATOM 58 CG2 THR A 5 -3.201 2.799 -9.256 1.00 0.00 C ATOM 0 H THR A 5 -5.961 -0.084 -8.439 1.00 0.00 H new ATOM 0 HA THR A 5 -3.261 0.765 -7.521 1.00 0.00 H new ATOM 0 HB THR A 5 -5.212 2.067 -9.469 1.00 0.00 H new ATOM 0 HG1 THR A 5 -3.846 1.057 -11.060 1.00 0.00 H new ATOM 0 HG21 THR A 5 -3.174 3.234 -10.255 1.00 0.00 H new ATOM 0 HG22 THR A 5 -3.478 3.567 -8.533 1.00 0.00 H new ATOM 0 HG23 THR A 5 -2.216 2.404 -9.006 1.00 0.00 H new ATOM 66 N PHE A 6 -3.959 2.721 -6.077 1.00 0.00 N ATOM 67 CA PHE A 6 -4.428 3.734 -5.087 1.00 0.00 C ATOM 68 C PHE A 6 -3.763 5.081 -5.373 1.00 0.00 C ATOM 69 O PHE A 6 -2.767 5.157 -6.068 1.00 0.00 O ATOM 70 CB PHE A 6 -4.055 3.276 -3.676 1.00 0.00 C ATOM 71 CG PHE A 6 -4.773 1.987 -3.359 1.00 0.00 C ATOM 72 CD1 PHE A 6 -4.229 0.764 -3.766 1.00 0.00 C ATOM 73 CD2 PHE A 6 -5.983 2.017 -2.656 1.00 0.00 C ATOM 74 CE1 PHE A 6 -4.895 -0.431 -3.472 1.00 0.00 C ATOM 75 CE2 PHE A 6 -6.649 0.820 -2.361 1.00 0.00 C ATOM 76 CZ PHE A 6 -6.105 -0.403 -2.769 1.00 0.00 C ATOM 0 H PHE A 6 -2.949 2.584 -6.109 1.00 0.00 H new ATOM 0 HA PHE A 6 -5.510 3.840 -5.165 1.00 0.00 H new ATOM 0 HB2 PHE A 6 -2.977 3.132 -3.602 1.00 0.00 H new ATOM 0 HB3 PHE A 6 -4.325 4.043 -2.950 1.00 0.00 H new ATOM 0 HD1 PHE A 6 -3.295 0.742 -4.307 1.00 0.00 H new ATOM 0 HD2 PHE A 6 -6.403 2.961 -2.341 1.00 0.00 H new ATOM 0 HE1 PHE A 6 -4.475 -1.375 -3.787 1.00 0.00 H new ATOM 0 HE2 PHE A 6 -7.583 0.841 -1.818 1.00 0.00 H new ATOM 0 HZ PHE A 6 -6.619 -1.325 -2.541 1.00 0.00 H new ATOM 86 N LYS A 7 -4.309 6.142 -4.836 1.00 0.00 N ATOM 87 CA LYS A 7 -3.718 7.493 -5.062 1.00 0.00 C ATOM 88 C LYS A 7 -3.270 8.070 -3.717 1.00 0.00 C ATOM 89 O LYS A 7 -4.043 8.159 -2.781 1.00 0.00 O ATOM 90 CB LYS A 7 -4.767 8.413 -5.701 1.00 0.00 C ATOM 91 CG LYS A 7 -4.399 8.684 -7.164 1.00 0.00 C ATOM 92 CD LYS A 7 -3.520 9.933 -7.245 1.00 0.00 C ATOM 93 CE LYS A 7 -4.404 11.168 -7.435 1.00 0.00 C ATOM 94 NZ LYS A 7 -3.562 12.396 -7.376 1.00 0.00 N ATOM 0 H LYS A 7 -5.143 6.129 -4.248 1.00 0.00 H new ATOM 0 HA LYS A 7 -2.861 7.416 -5.731 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -5.752 7.950 -5.644 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -4.824 9.352 -5.151 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -3.871 7.827 -7.582 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -5.302 8.823 -7.758 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -2.927 10.033 -6.336 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -2.818 9.844 -8.074 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -4.921 11.114 -8.393 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -5.170 11.202 -6.661 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -4.163 13.235 -7.505 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -3.088 12.448 -6.452 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -2.847 12.363 -8.130 1.00 0.00 H new ATOM 108 N VAL A 8 -2.026 8.457 -3.616 1.00 0.00 N ATOM 109 CA VAL A 8 -1.511 9.024 -2.335 1.00 0.00 C ATOM 110 C VAL A 8 -1.977 10.475 -2.194 1.00 0.00 C ATOM 111 O VAL A 8 -1.730 11.300 -3.054 1.00 0.00 O ATOM 112 CB VAL A 8 0.023 8.980 -2.326 1.00 0.00 C ATOM 113 CG1 VAL A 8 0.529 9.260 -0.910 1.00 0.00 C ATOM 114 CG2 VAL A 8 0.510 7.596 -2.769 1.00 0.00 C ATOM 0 H VAL A 8 -1.341 8.404 -4.370 1.00 0.00 H new ATOM 0 HA VAL A 8 -1.894 8.433 -1.503 1.00 0.00 H new ATOM 0 HB VAL A 8 0.406 9.734 -3.014 1.00 0.00 H new ATOM 0 HG11 VAL A 8 1.619 9.229 -0.900 1.00 0.00 H new ATOM 0 HG12 VAL A 8 0.191 10.246 -0.591 1.00 0.00 H new ATOM 0 HG13 VAL A 8 0.139 8.504 -0.228 1.00 0.00 H new ATOM 0 HG21 VAL A 8 1.600 7.574 -2.760 1.00 0.00 H new ATOM 0 HG22 VAL A 8 0.126 6.839 -2.085 1.00 0.00 H new ATOM 0 HG23 VAL A 8 0.151 7.390 -3.777 1.00 0.00 H new ATOM 124 N THR A 9 -2.651 10.789 -1.115 1.00 0.00 N ATOM 125 CA THR A 9 -3.138 12.187 -0.910 1.00 0.00 C ATOM 126 C THR A 9 -2.745 12.696 0.487 1.00 0.00 C ATOM 127 O THR A 9 -3.105 13.794 0.870 1.00 0.00 O ATOM 128 CB THR A 9 -4.663 12.216 -1.047 1.00 0.00 C ATOM 129 OG1 THR A 9 -5.041 11.537 -2.236 1.00 0.00 O ATOM 130 CG2 THR A 9 -5.158 13.666 -1.108 1.00 0.00 C ATOM 0 H THR A 9 -2.885 10.136 -0.367 1.00 0.00 H new ATOM 0 HA THR A 9 -2.682 12.832 -1.661 1.00 0.00 H new ATOM 0 HB THR A 9 -5.109 11.724 -0.183 1.00 0.00 H new ATOM 0 HG1 THR A 9 -6.017 11.552 -2.325 1.00 0.00 H new ATOM 0 HG21 THR A 9 -6.244 13.676 -1.205 1.00 0.00 H new ATOM 0 HG22 THR A 9 -4.871 14.187 -0.195 1.00 0.00 H new ATOM 0 HG23 THR A 9 -4.712 14.167 -1.967 1.00 0.00 H new ATOM 138 N ALA A 10 -2.014 11.916 1.254 1.00 0.00 N ATOM 139 CA ALA A 10 -1.612 12.369 2.617 1.00 0.00 C ATOM 140 C ALA A 10 -0.547 13.461 2.498 1.00 0.00 C ATOM 141 O ALA A 10 0.259 13.455 1.585 1.00 0.00 O ATOM 142 CB ALA A 10 -1.042 11.184 3.400 1.00 0.00 C ATOM 0 H ALA A 10 -1.682 10.988 0.991 1.00 0.00 H new ATOM 0 HA ALA A 10 -2.482 12.766 3.140 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -0.748 11.514 4.396 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -1.800 10.405 3.485 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -0.172 10.787 2.877 1.00 0.00 H new ATOM 148 N ASP A 11 -0.538 14.395 3.414 1.00 0.00 N ATOM 149 CA ASP A 11 0.473 15.493 3.363 1.00 0.00 C ATOM 150 C ASP A 11 1.871 14.906 3.568 1.00 0.00 C ATOM 151 O ASP A 11 2.829 15.335 2.953 1.00 0.00 O ATOM 152 CB ASP A 11 0.179 16.508 4.468 1.00 0.00 C ATOM 153 CG ASP A 11 0.619 17.901 4.013 1.00 0.00 C ATOM 154 OD1 ASP A 11 1.645 17.992 3.359 1.00 0.00 O ATOM 155 OD2 ASP A 11 -0.078 18.852 4.326 1.00 0.00 O ATOM 0 H ASP A 11 -1.189 14.444 4.197 1.00 0.00 H new ATOM 0 HA ASP A 11 0.425 15.988 2.393 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -0.886 16.510 4.701 1.00 0.00 H new ATOM 0 HB3 ASP A 11 0.705 16.229 5.381 1.00 0.00 H new ATOM 160 N SER A 12 1.990 13.926 4.428 1.00 0.00 N ATOM 161 CA SER A 12 3.322 13.303 4.681 1.00 0.00 C ATOM 162 C SER A 12 3.639 12.306 3.564 1.00 0.00 C ATOM 163 O SER A 12 4.788 12.085 3.226 1.00 0.00 O ATOM 164 CB SER A 12 3.297 12.569 6.022 1.00 0.00 C ATOM 165 OG SER A 12 2.024 11.964 6.204 1.00 0.00 O ATOM 0 H SER A 12 1.219 13.531 4.966 1.00 0.00 H new ATOM 0 HA SER A 12 4.086 14.080 4.705 1.00 0.00 H new ATOM 0 HB2 SER A 12 4.080 11.811 6.049 1.00 0.00 H new ATOM 0 HB3 SER A 12 3.500 13.266 6.835 1.00 0.00 H new ATOM 0 HG SER A 12 2.006 11.491 7.062 1.00 0.00 H new ATOM 171 N GLY A 13 2.629 11.702 2.992 1.00 0.00 N ATOM 172 CA GLY A 13 2.861 10.715 1.897 1.00 0.00 C ATOM 173 C GLY A 13 2.804 9.299 2.470 1.00 0.00 C ATOM 174 O GLY A 13 2.089 9.034 3.419 1.00 0.00 O ATOM 0 H GLY A 13 1.650 11.851 3.238 1.00 0.00 H new ATOM 0 HA2 GLY A 13 2.107 10.835 1.119 1.00 0.00 H new ATOM 0 HA3 GLY A 13 3.831 10.892 1.432 1.00 0.00 H new ATOM 178 N ILE A 14 3.554 8.389 1.901 1.00 0.00 N ATOM 179 CA ILE A 14 3.549 6.987 2.410 1.00 0.00 C ATOM 180 C ILE A 14 4.924 6.647 2.988 1.00 0.00 C ATOM 181 O ILE A 14 5.776 6.106 2.309 1.00 0.00 O ATOM 182 CB ILE A 14 3.227 6.026 1.263 1.00 0.00 C ATOM 183 CG1 ILE A 14 1.923 6.458 0.590 1.00 0.00 C ATOM 184 CG2 ILE A 14 3.072 4.607 1.813 1.00 0.00 C ATOM 185 CD1 ILE A 14 1.671 5.590 -0.644 1.00 0.00 C ATOM 0 H ILE A 14 4.169 8.558 1.105 1.00 0.00 H new ATOM 0 HA ILE A 14 2.793 6.889 3.189 1.00 0.00 H new ATOM 0 HB ILE A 14 4.037 6.045 0.534 1.00 0.00 H new ATOM 0 HG12 ILE A 14 1.092 6.364 1.289 1.00 0.00 H new ATOM 0 HG13 ILE A 14 1.980 7.508 0.303 1.00 0.00 H new ATOM 0 HG21 ILE A 14 2.843 3.923 0.996 1.00 0.00 H new ATOM 0 HG22 ILE A 14 4.001 4.300 2.294 1.00 0.00 H new ATOM 0 HG23 ILE A 14 2.262 4.586 2.542 1.00 0.00 H new ATOM 0 HD11 ILE A 14 0.742 5.899 -1.122 1.00 0.00 H new ATOM 0 HD12 ILE A 14 2.497 5.707 -1.346 1.00 0.00 H new ATOM 0 HD13 ILE A 14 1.595 4.545 -0.344 1.00 0.00 H new HETATM 197 N HIP A 15 5.142 6.961 4.240 1.00 0.00 N HETATM 198 CA HIP A 15 6.455 6.659 4.872 1.00 0.00 C HETATM 199 CB HIP A 15 7.011 7.924 5.561 1.00 0.00 C HETATM 200 CG HIP A 15 6.135 8.387 6.700 1.00 0.00 C HETATM 201 CD2 HIP A 15 4.842 8.836 6.726 1.00 0.00 C HETATM 202 NE2 HIP A 15 4.497 9.192 8.017 1.00 0.00 N HETATM 203 CE1 HIP A 15 5.579 8.957 8.755 1.00 0.00 C HETATM 204 ND1 HIP A 15 6.598 8.475 8.017 1.00 0.00 N HETATM 205 P HIP A 15 8.024 8.563 8.420 1.00 0.00 P HETATM 206 O1P HIP A 15 8.609 7.211 8.560 1.00 0.00 O HETATM 207 O2P HIP A 15 8.142 9.301 9.698 1.00 0.00 O HETATM 208 O3P HIP A 15 8.621 9.316 7.295 1.00 0.00 O HETATM 209 C HIP A 15 6.298 5.490 5.858 1.00 0.00 C HETATM 210 O HIP A 15 5.408 4.673 5.714 1.00 0.00 O HETATM 0 HE2 HIP A 15 3.600 9.558 8.337 1.00 0.00 H new HETATM 0 HE1 HIP A 15 5.634 9.134 9.829 1.00 0.00 H new HETATM 0 HD2 HIP A 15 4.184 8.903 5.860 1.00 0.00 H new HETATM 0 HB3 HIP A 15 8.014 7.720 5.936 1.00 0.00 H new HETATM 0 HB2 HIP A 15 7.102 8.725 4.827 1.00 0.00 H new HETATM 0 HA HIP A 15 7.173 6.358 4.109 1.00 0.00 H new HETATM 0 H HIP A 15 4.748 7.899 4.307 1.00 0.00 H new ATOM 218 N ALA A 16 7.174 5.373 6.819 1.00 0.00 N ATOM 219 CA ALA A 16 7.109 4.230 7.784 1.00 0.00 C ATOM 220 C ALA A 16 5.751 4.152 8.504 1.00 0.00 C ATOM 221 O ALA A 16 5.262 3.070 8.769 1.00 0.00 O ATOM 222 CB ALA A 16 8.220 4.383 8.822 1.00 0.00 C ATOM 0 H ALA A 16 7.941 6.026 6.981 1.00 0.00 H new ATOM 0 HA ALA A 16 7.236 3.309 7.215 1.00 0.00 H new ATOM 0 HB1 ALA A 16 8.176 3.553 9.527 1.00 0.00 H new ATOM 0 HB2 ALA A 16 9.188 4.383 8.321 1.00 0.00 H new ATOM 0 HB3 ALA A 16 8.089 5.322 9.359 1.00 0.00 H new ATOM 228 N ARG A 17 5.148 5.267 8.850 1.00 0.00 N ATOM 229 CA ARG A 17 3.835 5.214 9.582 1.00 0.00 C ATOM 230 C ARG A 17 2.788 4.425 8.764 1.00 0.00 C ATOM 231 O ARG A 17 2.300 3.412 9.232 1.00 0.00 O ATOM 232 CB ARG A 17 3.326 6.632 9.851 1.00 0.00 C ATOM 233 CG ARG A 17 3.733 7.068 11.261 1.00 0.00 C ATOM 234 CD ARG A 17 2.632 7.943 11.865 1.00 0.00 C ATOM 235 NE ARG A 17 1.702 7.094 12.661 1.00 0.00 N ATOM 236 CZ ARG A 17 1.405 7.423 13.888 1.00 0.00 C ATOM 237 NH1 ARG A 17 0.534 8.368 14.117 1.00 0.00 N ATOM 238 NH2 ARG A 17 1.979 6.809 14.885 1.00 0.00 N ATOM 0 H ARG A 17 5.503 6.204 8.660 1.00 0.00 H new ATOM 0 HA ARG A 17 3.990 4.704 10.533 1.00 0.00 H new ATOM 0 HB2 ARG A 17 3.737 7.322 9.114 1.00 0.00 H new ATOM 0 HB3 ARG A 17 2.241 6.665 9.749 1.00 0.00 H new ATOM 0 HG2 ARG A 17 3.902 6.193 11.889 1.00 0.00 H new ATOM 0 HG3 ARG A 17 4.672 7.620 11.225 1.00 0.00 H new ATOM 0 HD2 ARG A 17 3.072 8.713 12.499 1.00 0.00 H new ATOM 0 HD3 ARG A 17 2.086 8.456 11.074 1.00 0.00 H new ATOM 0 HE ARG A 17 1.297 6.255 12.246 1.00 0.00 H new ATOM 0 HH11 ARG A 17 0.086 8.849 13.337 1.00 0.00 H new ATOM 0 HH12 ARG A 17 0.301 8.626 15.076 1.00 0.00 H new ATOM 0 HH21 ARG A 17 2.660 6.071 14.706 1.00 0.00 H new ATOM 0 HH22 ARG A 17 1.747 7.066 15.844 1.00 0.00 H new ATOM 252 N PRO A 18 2.466 4.882 7.566 1.00 0.00 N ATOM 253 CA PRO A 18 1.481 4.182 6.717 1.00 0.00 C ATOM 254 C PRO A 18 2.048 2.849 6.211 1.00 0.00 C ATOM 255 O PRO A 18 1.314 1.997 5.746 1.00 0.00 O ATOM 256 CB PRO A 18 1.221 5.160 5.566 1.00 0.00 C ATOM 257 CG PRO A 18 2.444 6.100 5.517 1.00 0.00 C ATOM 258 CD PRO A 18 3.039 6.099 6.935 1.00 0.00 C ATOM 0 HA PRO A 18 0.566 3.925 7.251 1.00 0.00 H new ATOM 0 HB2 PRO A 18 1.101 4.628 4.622 1.00 0.00 H new ATOM 0 HB3 PRO A 18 0.303 5.723 5.733 1.00 0.00 H new ATOM 0 HG2 PRO A 18 3.175 5.751 4.787 1.00 0.00 H new ATOM 0 HG3 PRO A 18 2.151 7.106 5.218 1.00 0.00 H new ATOM 0 HD2 PRO A 18 4.128 6.061 6.911 1.00 0.00 H new ATOM 0 HD3 PRO A 18 2.764 7.000 7.484 1.00 0.00 H new ATOM 266 N ALA A 19 3.341 2.654 6.313 1.00 0.00 N ATOM 267 CA ALA A 19 3.948 1.370 5.857 1.00 0.00 C ATOM 268 C ALA A 19 3.733 0.302 6.935 1.00 0.00 C ATOM 269 O ALA A 19 3.710 -0.880 6.651 1.00 0.00 O ATOM 270 CB ALA A 19 5.446 1.568 5.623 1.00 0.00 C ATOM 0 H ALA A 19 4.001 3.332 6.694 1.00 0.00 H new ATOM 0 HA ALA A 19 3.478 1.051 4.927 1.00 0.00 H new ATOM 0 HB1 ALA A 19 5.889 0.630 5.290 1.00 0.00 H new ATOM 0 HB2 ALA A 19 5.597 2.332 4.860 1.00 0.00 H new ATOM 0 HB3 ALA A 19 5.921 1.884 6.552 1.00 0.00 H new ATOM 276 N THR A 20 3.568 0.712 8.172 1.00 0.00 N ATOM 277 CA THR A 20 3.346 -0.269 9.272 1.00 0.00 C ATOM 278 C THR A 20 1.866 -0.653 9.312 1.00 0.00 C ATOM 279 O THR A 20 1.511 -1.751 9.696 1.00 0.00 O ATOM 280 CB THR A 20 3.744 0.361 10.610 1.00 0.00 C ATOM 281 OG1 THR A 20 4.830 1.253 10.410 1.00 0.00 O ATOM 282 CG2 THR A 20 4.157 -0.738 11.591 1.00 0.00 C ATOM 0 H THR A 20 3.578 1.690 8.463 1.00 0.00 H new ATOM 0 HA THR A 20 3.953 -1.157 9.096 1.00 0.00 H new ATOM 0 HB THR A 20 2.896 0.910 11.019 1.00 0.00 H new ATOM 0 HG1 THR A 20 4.496 2.098 10.044 1.00 0.00 H new ATOM 0 HG21 THR A 20 4.440 -0.289 12.543 1.00 0.00 H new ATOM 0 HG22 THR A 20 3.321 -1.420 11.746 1.00 0.00 H new ATOM 0 HG23 THR A 20 5.005 -1.289 11.184 1.00 0.00 H new ATOM 290 N VAL A 21 1.002 0.245 8.911 1.00 0.00 N ATOM 291 CA VAL A 21 -0.459 -0.058 8.915 1.00 0.00 C ATOM 292 C VAL A 21 -0.777 -1.000 7.759 1.00 0.00 C ATOM 293 O VAL A 21 -1.568 -1.917 7.881 1.00 0.00 O ATOM 294 CB VAL A 21 -1.246 1.235 8.726 1.00 0.00 C ATOM 295 CG1 VAL A 21 -2.741 0.956 8.893 1.00 0.00 C ATOM 296 CG2 VAL A 21 -0.803 2.269 9.766 1.00 0.00 C ATOM 0 H VAL A 21 1.248 1.178 8.580 1.00 0.00 H new ATOM 0 HA VAL A 21 -0.732 -0.522 9.863 1.00 0.00 H new ATOM 0 HB VAL A 21 -1.057 1.624 7.726 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -3.301 1.881 8.758 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -3.060 0.226 8.149 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -2.928 0.561 9.892 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -1.368 3.191 9.627 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -0.986 1.879 10.767 1.00 0.00 H new ATOM 0 HG23 VAL A 21 0.261 2.474 9.645 1.00 0.00 H new ATOM 306 N LEU A 22 -0.167 -0.761 6.634 1.00 0.00 N ATOM 307 CA LEU A 22 -0.412 -1.605 5.437 1.00 0.00 C ATOM 308 C LEU A 22 0.233 -2.982 5.614 1.00 0.00 C ATOM 309 O LEU A 22 -0.377 -3.995 5.342 1.00 0.00 O ATOM 310 CB LEU A 22 0.200 -0.907 4.228 1.00 0.00 C ATOM 311 CG LEU A 22 -0.518 0.421 3.992 1.00 0.00 C ATOM 312 CD1 LEU A 22 0.206 1.195 2.889 1.00 0.00 C ATOM 313 CD2 LEU A 22 -1.961 0.149 3.561 1.00 0.00 C ATOM 0 H LEU A 22 0.502 -0.004 6.492 1.00 0.00 H new ATOM 0 HA LEU A 22 -1.484 -1.743 5.297 1.00 0.00 H new ATOM 0 HB2 LEU A 22 1.263 -0.734 4.394 1.00 0.00 H new ATOM 0 HB3 LEU A 22 0.114 -1.541 3.346 1.00 0.00 H new ATOM 0 HG LEU A 22 -0.518 1.007 4.911 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -0.302 2.144 2.716 1.00 0.00 H new ATOM 0 HD12 LEU A 22 1.235 1.385 3.193 1.00 0.00 H new ATOM 0 HD13 LEU A 22 0.202 0.609 1.970 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -2.475 1.095 3.392 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -1.962 -0.434 2.640 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -2.476 -0.409 4.344 1.00 0.00 H new ATOM 325 N VAL A 23 1.464 -3.024 6.060 1.00 0.00 N ATOM 326 CA VAL A 23 2.153 -4.339 6.246 1.00 0.00 C ATOM 327 C VAL A 23 1.373 -5.197 7.254 1.00 0.00 C ATOM 328 O VAL A 23 1.399 -6.412 7.197 1.00 0.00 O ATOM 329 CB VAL A 23 3.587 -4.097 6.750 1.00 0.00 C ATOM 330 CG1 VAL A 23 3.551 -3.382 8.103 1.00 0.00 C ATOM 331 CG2 VAL A 23 4.314 -5.435 6.907 1.00 0.00 C ATOM 0 H VAL A 23 2.022 -2.205 6.303 1.00 0.00 H new ATOM 0 HA VAL A 23 2.193 -4.868 5.294 1.00 0.00 H new ATOM 0 HB VAL A 23 4.115 -3.477 6.026 1.00 0.00 H new ATOM 0 HG11 VAL A 23 4.570 -3.214 8.453 1.00 0.00 H new ATOM 0 HG12 VAL A 23 3.042 -2.424 7.995 1.00 0.00 H new ATOM 0 HG13 VAL A 23 3.016 -3.998 8.826 1.00 0.00 H new ATOM 0 HG21 VAL A 23 5.329 -5.258 7.264 1.00 0.00 H new ATOM 0 HG22 VAL A 23 3.780 -6.057 7.625 1.00 0.00 H new ATOM 0 HG23 VAL A 23 4.352 -5.944 5.944 1.00 0.00 H new ATOM 341 N GLN A 24 0.688 -4.571 8.176 1.00 0.00 N ATOM 342 CA GLN A 24 -0.089 -5.340 9.194 1.00 0.00 C ATOM 343 C GLN A 24 -1.288 -6.024 8.530 1.00 0.00 C ATOM 344 O GLN A 24 -1.583 -7.173 8.801 1.00 0.00 O ATOM 345 CB GLN A 24 -0.587 -4.384 10.284 1.00 0.00 C ATOM 346 CG GLN A 24 0.554 -4.064 11.261 1.00 0.00 C ATOM 347 CD GLN A 24 0.246 -4.662 12.638 1.00 0.00 C ATOM 348 OE1 GLN A 24 -0.622 -4.182 13.341 1.00 0.00 O ATOM 349 NE2 GLN A 24 0.926 -5.694 13.053 1.00 0.00 N ATOM 0 H GLN A 24 0.633 -3.557 8.268 1.00 0.00 H new ATOM 0 HA GLN A 24 0.556 -6.099 9.637 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -0.958 -3.465 9.831 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -1.422 -4.834 10.821 1.00 0.00 H new ATOM 0 HG2 GLN A 24 1.493 -4.467 10.882 1.00 0.00 H new ATOM 0 HG3 GLN A 24 0.681 -2.985 11.344 1.00 0.00 H new ATOM 0 HE21 GLN A 24 1.654 -6.096 12.462 1.00 0.00 H new ATOM 0 HE22 GLN A 24 0.730 -6.099 13.968 1.00 0.00 H new ATOM 358 N THR A 25 -1.986 -5.325 7.670 1.00 0.00 N ATOM 359 CA THR A 25 -3.174 -5.928 6.993 1.00 0.00 C ATOM 360 C THR A 25 -2.726 -7.034 6.033 1.00 0.00 C ATOM 361 O THR A 25 -3.106 -8.181 6.174 1.00 0.00 O ATOM 362 CB THR A 25 -3.918 -4.845 6.210 1.00 0.00 C ATOM 363 OG1 THR A 25 -4.008 -3.668 7.001 1.00 0.00 O ATOM 364 CG2 THR A 25 -5.323 -5.337 5.862 1.00 0.00 C ATOM 0 H THR A 25 -1.783 -4.360 7.407 1.00 0.00 H new ATOM 0 HA THR A 25 -3.835 -6.356 7.747 1.00 0.00 H new ATOM 0 HB THR A 25 -3.376 -4.625 5.291 1.00 0.00 H new ATOM 0 HG1 THR A 25 -4.483 -2.973 6.500 1.00 0.00 H new ATOM 0 HG21 THR A 25 -5.851 -4.564 5.304 1.00 0.00 H new ATOM 0 HG22 THR A 25 -5.252 -6.239 5.254 1.00 0.00 H new ATOM 0 HG23 THR A 25 -5.868 -5.559 6.779 1.00 0.00 H new ATOM 372 N ALA A 26 -1.930 -6.695 5.051 1.00 0.00 N ATOM 373 CA ALA A 26 -1.455 -7.714 4.063 1.00 0.00 C ATOM 374 C ALA A 26 -0.730 -8.859 4.782 1.00 0.00 C ATOM 375 O ALA A 26 -0.641 -9.958 4.269 1.00 0.00 O ATOM 376 CB ALA A 26 -0.495 -7.050 3.074 1.00 0.00 C ATOM 0 H ALA A 26 -1.585 -5.749 4.889 1.00 0.00 H new ATOM 0 HA ALA A 26 -2.316 -8.120 3.532 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -0.147 -7.789 2.353 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -1.012 -6.246 2.549 1.00 0.00 H new ATOM 0 HB3 ALA A 26 0.358 -6.641 3.614 1.00 0.00 H new ATOM 382 N SER A 27 -0.211 -8.612 5.961 1.00 0.00 N ATOM 383 CA SER A 27 0.510 -9.688 6.709 1.00 0.00 C ATOM 384 C SER A 27 -0.442 -10.861 6.965 1.00 0.00 C ATOM 385 O SER A 27 -0.067 -12.012 6.842 1.00 0.00 O ATOM 386 CB SER A 27 1.010 -9.132 8.045 1.00 0.00 C ATOM 387 OG SER A 27 1.392 -10.210 8.891 1.00 0.00 O ATOM 0 H SER A 27 -0.256 -7.711 6.437 1.00 0.00 H new ATOM 0 HA SER A 27 1.359 -10.034 6.119 1.00 0.00 H new ATOM 0 HB2 SER A 27 1.857 -8.466 7.880 1.00 0.00 H new ATOM 0 HB3 SER A 27 0.228 -8.541 8.521 1.00 0.00 H new ATOM 0 HG SER A 27 1.714 -9.856 9.746 1.00 0.00 H new ATOM 393 N LYS A 28 -1.668 -10.573 7.318 1.00 0.00 N ATOM 394 CA LYS A 28 -2.653 -11.662 7.583 1.00 0.00 C ATOM 395 C LYS A 28 -2.948 -12.420 6.285 1.00 0.00 C ATOM 396 O LYS A 28 -3.316 -13.581 6.308 1.00 0.00 O ATOM 397 CB LYS A 28 -3.952 -11.056 8.124 1.00 0.00 C ATOM 398 CG LYS A 28 -3.858 -10.896 9.650 1.00 0.00 C ATOM 399 CD LYS A 28 -3.781 -9.409 10.012 1.00 0.00 C ATOM 400 CE LYS A 28 -5.175 -8.897 10.384 1.00 0.00 C ATOM 401 NZ LYS A 28 -5.324 -7.485 9.932 1.00 0.00 N ATOM 0 H LYS A 28 -2.030 -9.627 7.434 1.00 0.00 H new ATOM 0 HA LYS A 28 -2.237 -12.351 8.318 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -4.133 -10.087 7.658 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -4.796 -11.696 7.868 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -4.726 -11.351 10.127 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -2.978 -11.417 10.026 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -3.095 -9.263 10.846 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -3.386 -8.840 9.171 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -5.939 -9.521 9.920 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -5.322 -8.962 11.462 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -6.222 -7.100 10.287 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -4.534 -6.917 10.300 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -5.320 -7.451 8.893 1.00 0.00 H new ATOM 415 N TYR A 29 -2.795 -11.774 5.154 1.00 0.00 N ATOM 416 CA TYR A 29 -3.072 -12.456 3.855 1.00 0.00 C ATOM 417 C TYR A 29 -1.797 -13.134 3.349 1.00 0.00 C ATOM 418 O TYR A 29 -0.750 -12.521 3.257 1.00 0.00 O ATOM 419 CB TYR A 29 -3.561 -11.428 2.831 1.00 0.00 C ATOM 420 CG TYR A 29 -4.883 -10.868 3.297 1.00 0.00 C ATOM 421 CD1 TYR A 29 -6.051 -11.628 3.154 1.00 0.00 C ATOM 422 CD2 TYR A 29 -4.941 -9.597 3.882 1.00 0.00 C ATOM 423 CE1 TYR A 29 -7.277 -11.115 3.594 1.00 0.00 C ATOM 424 CE2 TYR A 29 -6.168 -9.086 4.324 1.00 0.00 C ATOM 425 CZ TYR A 29 -7.336 -9.846 4.180 1.00 0.00 C ATOM 426 OH TYR A 29 -8.545 -9.343 4.617 1.00 0.00 O ATOM 0 H TYR A 29 -2.490 -10.804 5.077 1.00 0.00 H new ATOM 0 HA TYR A 29 -3.844 -13.212 3.998 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -2.830 -10.627 2.721 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -3.673 -11.894 1.852 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -6.006 -12.609 2.705 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -4.040 -9.011 3.992 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -8.178 -11.699 3.481 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -6.214 -8.106 4.776 1.00 0.00 H new ATOM 0 HH TYR A 29 -8.387 -8.575 5.205 1.00 0.00 H new ATOM 436 N ASP A 30 -1.886 -14.398 3.027 1.00 0.00 N ATOM 437 CA ASP A 30 -0.690 -15.141 2.530 1.00 0.00 C ATOM 438 C ASP A 30 -0.337 -14.681 1.111 1.00 0.00 C ATOM 439 O ASP A 30 0.781 -14.846 0.663 1.00 0.00 O ATOM 440 CB ASP A 30 -0.994 -16.640 2.517 1.00 0.00 C ATOM 441 CG ASP A 30 -1.406 -17.089 3.919 1.00 0.00 C ATOM 442 OD1 ASP A 30 -0.644 -16.858 4.842 1.00 0.00 O ATOM 443 OD2 ASP A 30 -2.478 -17.657 4.046 1.00 0.00 O ATOM 0 H ASP A 30 -2.741 -14.951 3.087 1.00 0.00 H new ATOM 0 HA ASP A 30 0.154 -14.941 3.190 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -1.792 -16.854 1.806 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -0.117 -17.197 2.188 1.00 0.00 H new ATOM 448 N ALA A 31 -1.280 -14.109 0.397 1.00 0.00 N ATOM 449 CA ALA A 31 -0.997 -13.643 -0.995 1.00 0.00 C ATOM 450 C ALA A 31 0.157 -12.636 -0.980 1.00 0.00 C ATOM 451 O ALA A 31 0.344 -11.908 -0.023 1.00 0.00 O ATOM 452 CB ALA A 31 -2.248 -12.976 -1.571 1.00 0.00 C ATOM 0 H ALA A 31 -2.233 -13.946 0.721 1.00 0.00 H new ATOM 0 HA ALA A 31 -0.720 -14.498 -1.612 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -2.044 -12.635 -2.586 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -3.068 -13.694 -1.587 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -2.524 -12.123 -0.951 1.00 0.00 H new ATOM 458 N ASP A 32 0.929 -12.594 -2.035 1.00 0.00 N ATOM 459 CA ASP A 32 2.076 -11.643 -2.093 1.00 0.00 C ATOM 460 C ASP A 32 1.608 -10.317 -2.693 1.00 0.00 C ATOM 461 O ASP A 32 1.613 -10.132 -3.896 1.00 0.00 O ATOM 462 CB ASP A 32 3.185 -12.233 -2.966 1.00 0.00 C ATOM 463 CG ASP A 32 3.862 -13.385 -2.221 1.00 0.00 C ATOM 464 OD1 ASP A 32 3.153 -14.166 -1.606 1.00 0.00 O ATOM 465 OD2 ASP A 32 5.078 -13.468 -2.276 1.00 0.00 O ATOM 0 H ASP A 32 0.813 -13.180 -2.861 1.00 0.00 H new ATOM 0 HA ASP A 32 2.458 -11.473 -1.086 1.00 0.00 H new ATOM 0 HB2 ASP A 32 2.770 -12.590 -3.909 1.00 0.00 H new ATOM 0 HB3 ASP A 32 3.918 -11.464 -3.211 1.00 0.00 H new ATOM 470 N VAL A 33 1.204 -9.393 -1.859 1.00 0.00 N ATOM 471 CA VAL A 33 0.735 -8.071 -2.365 1.00 0.00 C ATOM 472 C VAL A 33 1.914 -7.091 -2.383 1.00 0.00 C ATOM 473 O VAL A 33 2.324 -6.576 -1.361 1.00 0.00 O ATOM 474 CB VAL A 33 -0.386 -7.545 -1.455 1.00 0.00 C ATOM 475 CG1 VAL A 33 -1.587 -8.508 -1.499 1.00 0.00 C ATOM 476 CG2 VAL A 33 0.125 -7.425 -0.010 1.00 0.00 C ATOM 0 H VAL A 33 1.179 -9.499 -0.845 1.00 0.00 H new ATOM 0 HA VAL A 33 0.345 -8.176 -3.378 1.00 0.00 H new ATOM 0 HB VAL A 33 -0.698 -6.562 -1.808 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -2.379 -8.131 -0.852 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -1.957 -8.581 -2.522 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -1.276 -9.494 -1.154 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -0.675 -7.052 0.629 1.00 0.00 H new ATOM 0 HG22 VAL A 33 0.446 -8.404 0.345 1.00 0.00 H new ATOM 0 HG23 VAL A 33 0.967 -6.734 0.022 1.00 0.00 H new ATOM 486 N ASN A 34 2.470 -6.845 -3.543 1.00 0.00 N ATOM 487 CA ASN A 34 3.634 -5.915 -3.640 1.00 0.00 C ATOM 488 C ASN A 34 3.183 -4.565 -4.202 1.00 0.00 C ATOM 489 O ASN A 34 2.409 -4.498 -5.138 1.00 0.00 O ATOM 490 CB ASN A 34 4.691 -6.521 -4.565 1.00 0.00 C ATOM 491 CG ASN A 34 5.182 -7.848 -3.983 1.00 0.00 C ATOM 492 OD1 ASN A 34 4.398 -8.632 -3.485 1.00 0.00 O ATOM 493 ND2 ASN A 34 6.454 -8.134 -4.024 1.00 0.00 N ATOM 0 H ASN A 34 2.166 -7.250 -4.429 1.00 0.00 H new ATOM 0 HA ASN A 34 4.054 -5.765 -2.646 1.00 0.00 H new ATOM 0 HB2 ASN A 34 4.271 -6.681 -5.558 1.00 0.00 H new ATOM 0 HB3 ASN A 34 5.527 -5.831 -4.680 1.00 0.00 H new ATOM 0 HD21 ASN A 34 6.791 -9.016 -3.638 1.00 0.00 H new ATOM 0 HD22 ASN A 34 7.112 -7.476 -4.442 1.00 0.00 H new ATOM 500 N LEU A 35 3.673 -3.492 -3.636 1.00 0.00 N ATOM 501 CA LEU A 35 3.294 -2.134 -4.125 1.00 0.00 C ATOM 502 C LEU A 35 4.293 -1.691 -5.200 1.00 0.00 C ATOM 503 O LEU A 35 5.444 -2.084 -5.183 1.00 0.00 O ATOM 504 CB LEU A 35 3.329 -1.149 -2.955 1.00 0.00 C ATOM 505 CG LEU A 35 2.685 0.176 -3.374 1.00 0.00 C ATOM 506 CD1 LEU A 35 1.915 0.766 -2.190 1.00 0.00 C ATOM 507 CD2 LEU A 35 3.774 1.159 -3.812 1.00 0.00 C ATOM 0 H LEU A 35 4.324 -3.499 -2.851 1.00 0.00 H new ATOM 0 HA LEU A 35 2.290 -2.159 -4.548 1.00 0.00 H new ATOM 0 HB2 LEU A 35 2.799 -1.567 -2.099 1.00 0.00 H new ATOM 0 HB3 LEU A 35 4.359 -0.980 -2.640 1.00 0.00 H new ATOM 0 HG LEU A 35 2.000 -0.001 -4.203 1.00 0.00 H new ATOM 0 HD11 LEU A 35 1.457 1.709 -2.488 1.00 0.00 H new ATOM 0 HD12 LEU A 35 1.139 0.068 -1.877 1.00 0.00 H new ATOM 0 HD13 LEU A 35 2.601 0.942 -1.361 1.00 0.00 H new ATOM 0 HD21 LEU A 35 3.315 2.102 -4.110 1.00 0.00 H new ATOM 0 HD22 LEU A 35 4.460 1.335 -2.983 1.00 0.00 H new ATOM 0 HD23 LEU A 35 4.324 0.741 -4.655 1.00 0.00 H new ATOM 519 N GLU A 36 3.861 -0.880 -6.133 1.00 0.00 N ATOM 520 CA GLU A 36 4.783 -0.411 -7.211 1.00 0.00 C ATOM 521 C GLU A 36 4.873 1.116 -7.181 1.00 0.00 C ATOM 522 O GLU A 36 3.875 1.801 -7.058 1.00 0.00 O ATOM 523 CB GLU A 36 4.249 -0.863 -8.573 1.00 0.00 C ATOM 524 CG GLU A 36 5.349 -0.719 -9.626 1.00 0.00 C ATOM 525 CD GLU A 36 5.170 -1.791 -10.702 1.00 0.00 C ATOM 526 OE1 GLU A 36 4.039 -2.019 -11.101 1.00 0.00 O ATOM 527 OE2 GLU A 36 6.165 -2.367 -11.108 1.00 0.00 O ATOM 0 H GLU A 36 2.908 -0.522 -6.194 1.00 0.00 H new ATOM 0 HA GLU A 36 5.774 -0.836 -7.049 1.00 0.00 H new ATOM 0 HB2 GLU A 36 3.916 -1.899 -8.519 1.00 0.00 H new ATOM 0 HB3 GLU A 36 3.382 -0.264 -8.853 1.00 0.00 H new ATOM 0 HG2 GLU A 36 5.309 0.273 -10.076 1.00 0.00 H new ATOM 0 HG3 GLU A 36 6.329 -0.818 -9.159 1.00 0.00 H new ATOM 534 N TYR A 37 6.063 1.652 -7.292 1.00 0.00 N ATOM 535 CA TYR A 37 6.224 3.136 -7.269 1.00 0.00 C ATOM 536 C TYR A 37 7.569 3.523 -7.891 1.00 0.00 C ATOM 537 O TYR A 37 8.611 3.051 -7.483 1.00 0.00 O ATOM 538 CB TYR A 37 6.171 3.629 -5.821 1.00 0.00 C ATOM 539 CG TYR A 37 6.179 5.140 -5.798 1.00 0.00 C ATOM 540 CD1 TYR A 37 5.094 5.854 -6.319 1.00 0.00 C ATOM 541 CD2 TYR A 37 7.273 5.825 -5.257 1.00 0.00 C ATOM 542 CE1 TYR A 37 5.103 7.254 -6.298 1.00 0.00 C ATOM 543 CE2 TYR A 37 7.283 7.224 -5.236 1.00 0.00 C ATOM 544 CZ TYR A 37 6.197 7.939 -5.757 1.00 0.00 C ATOM 545 OH TYR A 37 6.206 9.319 -5.736 1.00 0.00 O ATOM 0 H TYR A 37 6.930 1.125 -7.398 1.00 0.00 H new ATOM 0 HA TYR A 37 5.419 3.595 -7.843 1.00 0.00 H new ATOM 0 HB2 TYR A 37 5.273 3.253 -5.331 1.00 0.00 H new ATOM 0 HB3 TYR A 37 7.024 3.242 -5.263 1.00 0.00 H new ATOM 0 HD1 TYR A 37 4.250 5.325 -6.737 1.00 0.00 H new ATOM 0 HD2 TYR A 37 8.110 5.273 -4.855 1.00 0.00 H new ATOM 0 HE1 TYR A 37 4.266 7.805 -6.699 1.00 0.00 H new ATOM 0 HE2 TYR A 37 8.127 7.752 -4.818 1.00 0.00 H new ATOM 0 HH TYR A 37 7.038 9.634 -5.326 1.00 0.00 H new ATOM 555 N ASN A 38 7.548 4.392 -8.872 1.00 0.00 N ATOM 556 CA ASN A 38 8.816 4.839 -9.532 1.00 0.00 C ATOM 557 C ASN A 38 9.498 3.661 -10.240 1.00 0.00 C ATOM 558 O ASN A 38 10.685 3.701 -10.508 1.00 0.00 O ATOM 559 CB ASN A 38 9.770 5.424 -8.485 1.00 0.00 C ATOM 560 CG ASN A 38 10.674 6.466 -9.143 1.00 0.00 C ATOM 561 OD1 ASN A 38 10.960 6.381 -10.321 1.00 0.00 O ATOM 562 ND2 ASN A 38 11.138 7.455 -8.428 1.00 0.00 N ATOM 0 H ASN A 38 6.699 4.815 -9.247 1.00 0.00 H new ATOM 0 HA ASN A 38 8.570 5.602 -10.270 1.00 0.00 H new ATOM 0 HB2 ASN A 38 9.202 5.880 -7.675 1.00 0.00 H new ATOM 0 HB3 ASN A 38 10.373 4.631 -8.044 1.00 0.00 H new ATOM 0 HD21 ASN A 38 11.741 8.157 -8.858 1.00 0.00 H new ATOM 0 HD22 ASN A 38 10.898 7.526 -7.439 1.00 0.00 H new ATOM 569 N GLY A 39 8.762 2.623 -10.557 1.00 0.00 N ATOM 570 CA GLY A 39 9.372 1.456 -11.261 1.00 0.00 C ATOM 571 C GLY A 39 9.905 0.427 -10.255 1.00 0.00 C ATOM 572 O GLY A 39 10.157 -0.710 -10.608 1.00 0.00 O ATOM 0 H GLY A 39 7.765 2.535 -10.358 1.00 0.00 H new ATOM 0 HA2 GLY A 39 8.630 0.988 -11.908 1.00 0.00 H new ATOM 0 HA3 GLY A 39 10.184 1.797 -11.903 1.00 0.00 H new ATOM 576 N LYS A 40 10.084 0.808 -9.012 1.00 0.00 N ATOM 577 CA LYS A 40 10.603 -0.158 -7.998 1.00 0.00 C ATOM 578 C LYS A 40 9.429 -0.896 -7.356 1.00 0.00 C ATOM 579 O LYS A 40 8.532 -0.288 -6.801 1.00 0.00 O ATOM 580 CB LYS A 40 11.380 0.601 -6.920 1.00 0.00 C ATOM 581 CG LYS A 40 12.491 1.428 -7.572 1.00 0.00 C ATOM 582 CD LYS A 40 13.720 1.445 -6.660 1.00 0.00 C ATOM 583 CE LYS A 40 13.389 2.197 -5.370 1.00 0.00 C ATOM 584 NZ LYS A 40 14.652 2.653 -4.721 1.00 0.00 N ATOM 0 H LYS A 40 9.893 1.745 -8.659 1.00 0.00 H new ATOM 0 HA LYS A 40 11.265 -0.876 -8.483 1.00 0.00 H new ATOM 0 HB2 LYS A 40 10.707 1.253 -6.364 1.00 0.00 H new ATOM 0 HB3 LYS A 40 11.808 -0.101 -6.204 1.00 0.00 H new ATOM 0 HG2 LYS A 40 12.751 1.005 -8.542 1.00 0.00 H new ATOM 0 HG3 LYS A 40 12.144 2.446 -7.751 1.00 0.00 H new ATOM 0 HD2 LYS A 40 14.029 0.425 -6.430 1.00 0.00 H new ATOM 0 HD3 LYS A 40 14.556 1.925 -7.168 1.00 0.00 H new ATOM 0 HE2 LYS A 40 12.751 3.053 -5.589 1.00 0.00 H new ATOM 0 HE3 LYS A 40 12.832 1.550 -4.692 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 14.427 3.164 -3.844 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 15.245 1.828 -4.498 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 15.166 3.285 -5.368 1.00 0.00 H new ATOM 598 N THR A 41 9.427 -2.202 -7.432 1.00 0.00 N ATOM 599 CA THR A 41 8.310 -2.989 -6.834 1.00 0.00 C ATOM 600 C THR A 41 8.781 -3.654 -5.538 1.00 0.00 C ATOM 601 O THR A 41 9.479 -4.649 -5.560 1.00 0.00 O ATOM 602 CB THR A 41 7.860 -4.067 -7.823 1.00 0.00 C ATOM 603 OG1 THR A 41 7.579 -3.467 -9.079 1.00 0.00 O ATOM 604 CG2 THR A 41 6.603 -4.757 -7.291 1.00 0.00 C ATOM 0 H THR A 41 10.153 -2.758 -7.884 1.00 0.00 H new ATOM 0 HA THR A 41 7.477 -2.321 -6.615 1.00 0.00 H new ATOM 0 HB THR A 41 8.653 -4.805 -7.943 1.00 0.00 H new ATOM 0 HG1 THR A 41 6.609 -3.435 -9.216 1.00 0.00 H new ATOM 0 HG21 THR A 41 6.283 -5.524 -7.996 1.00 0.00 H new ATOM 0 HG22 THR A 41 6.821 -5.217 -6.327 1.00 0.00 H new ATOM 0 HG23 THR A 41 5.808 -4.021 -7.170 1.00 0.00 H new ATOM 612 N VAL A 42 8.388 -3.114 -4.413 1.00 0.00 N ATOM 613 CA VAL A 42 8.794 -3.720 -3.105 1.00 0.00 C ATOM 614 C VAL A 42 7.606 -4.460 -2.505 1.00 0.00 C ATOM 615 O VAL A 42 6.469 -4.055 -2.658 1.00 0.00 O ATOM 616 CB VAL A 42 9.255 -2.648 -2.095 1.00 0.00 C ATOM 617 CG1 VAL A 42 10.747 -2.372 -2.276 1.00 0.00 C ATOM 618 CG2 VAL A 42 8.464 -1.344 -2.274 1.00 0.00 C ATOM 0 H VAL A 42 7.804 -2.281 -4.341 1.00 0.00 H new ATOM 0 HA VAL A 42 9.626 -4.398 -3.298 1.00 0.00 H new ATOM 0 HB VAL A 42 9.071 -3.027 -1.090 1.00 0.00 H new ATOM 0 HG11 VAL A 42 11.066 -1.614 -1.560 1.00 0.00 H new ATOM 0 HG12 VAL A 42 11.310 -3.290 -2.108 1.00 0.00 H new ATOM 0 HG13 VAL A 42 10.931 -2.014 -3.289 1.00 0.00 H new ATOM 0 HG21 VAL A 42 8.810 -0.606 -1.550 1.00 0.00 H new ATOM 0 HG22 VAL A 42 8.617 -0.961 -3.283 1.00 0.00 H new ATOM 0 HG23 VAL A 42 7.403 -1.538 -2.117 1.00 0.00 H new ATOM 628 N ASN A 43 7.864 -5.531 -1.803 1.00 0.00 N ATOM 629 CA ASN A 43 6.757 -6.296 -1.167 1.00 0.00 C ATOM 630 C ASN A 43 6.143 -5.423 -0.074 1.00 0.00 C ATOM 631 O ASN A 43 6.845 -4.698 0.607 1.00 0.00 O ATOM 632 CB ASN A 43 7.316 -7.574 -0.541 1.00 0.00 C ATOM 633 CG ASN A 43 6.170 -8.543 -0.242 1.00 0.00 C ATOM 634 OD1 ASN A 43 5.066 -8.125 0.047 1.00 0.00 O ATOM 635 ND2 ASN A 43 6.388 -9.829 -0.299 1.00 0.00 N ATOM 0 H ASN A 43 8.798 -5.909 -1.643 1.00 0.00 H new ATOM 0 HA ASN A 43 6.004 -6.562 -1.909 1.00 0.00 H new ATOM 0 HB2 ASN A 43 8.032 -8.040 -1.218 1.00 0.00 H new ATOM 0 HB3 ASN A 43 7.854 -7.336 0.377 1.00 0.00 H new ATOM 0 HD21 ASN A 43 5.631 -10.484 -0.101 1.00 0.00 H new ATOM 0 HD22 ASN A 43 7.315 -10.179 -0.542 1.00 0.00 H new ATOM 642 N LEU A 44 4.846 -5.482 0.106 1.00 0.00 N ATOM 643 CA LEU A 44 4.213 -4.644 1.165 1.00 0.00 C ATOM 644 C LEU A 44 4.729 -5.062 2.543 1.00 0.00 C ATOM 645 O LEU A 44 4.583 -4.336 3.509 1.00 0.00 O ATOM 646 CB LEU A 44 2.699 -4.779 1.134 1.00 0.00 C ATOM 647 CG LEU A 44 2.104 -3.696 2.034 1.00 0.00 C ATOM 648 CD1 LEU A 44 1.914 -2.412 1.234 1.00 0.00 C ATOM 649 CD2 LEU A 44 0.776 -4.179 2.603 1.00 0.00 C ATOM 0 H LEU A 44 4.206 -6.068 -0.430 1.00 0.00 H new ATOM 0 HA LEU A 44 4.477 -3.604 0.973 1.00 0.00 H new ATOM 0 HB2 LEU A 44 2.329 -4.672 0.114 1.00 0.00 H new ATOM 0 HB3 LEU A 44 2.398 -5.768 1.480 1.00 0.00 H new ATOM 0 HG LEU A 44 2.783 -3.491 2.862 1.00 0.00 H new ATOM 0 HD11 LEU A 44 1.490 -1.642 1.878 1.00 0.00 H new ATOM 0 HD12 LEU A 44 2.878 -2.075 0.852 1.00 0.00 H new ATOM 0 HD13 LEU A 44 1.238 -2.600 0.399 1.00 0.00 H new ATOM 0 HD21 LEU A 44 0.352 -3.406 3.245 1.00 0.00 H new ATOM 0 HD22 LEU A 44 0.086 -4.391 1.786 1.00 0.00 H new ATOM 0 HD23 LEU A 44 0.938 -5.086 3.186 1.00 0.00 H new ATOM 661 N LYS A 45 5.356 -6.209 2.652 1.00 0.00 N ATOM 662 CA LYS A 45 5.905 -6.631 3.968 1.00 0.00 C ATOM 663 C LYS A 45 7.320 -6.055 4.097 1.00 0.00 C ATOM 664 O LYS A 45 8.257 -6.754 4.432 1.00 0.00 O ATOM 665 CB LYS A 45 5.953 -8.160 4.037 1.00 0.00 C ATOM 666 CG LYS A 45 4.552 -8.729 3.786 1.00 0.00 C ATOM 667 CD LYS A 45 4.661 -10.016 2.963 1.00 0.00 C ATOM 668 CE LYS A 45 3.260 -10.500 2.583 1.00 0.00 C ATOM 669 NZ LYS A 45 2.805 -11.523 3.565 1.00 0.00 N ATOM 0 H LYS A 45 5.508 -6.865 1.886 1.00 0.00 H new ATOM 0 HA LYS A 45 5.276 -6.267 4.780 1.00 0.00 H new ATOM 0 HB2 LYS A 45 6.652 -8.546 3.295 1.00 0.00 H new ATOM 0 HB3 LYS A 45 6.317 -8.479 5.014 1.00 0.00 H new ATOM 0 HG2 LYS A 45 4.056 -8.933 4.735 1.00 0.00 H new ATOM 0 HG3 LYS A 45 3.941 -7.998 3.257 1.00 0.00 H new ATOM 0 HD2 LYS A 45 5.251 -9.837 2.064 1.00 0.00 H new ATOM 0 HD3 LYS A 45 5.179 -10.784 3.537 1.00 0.00 H new ATOM 0 HE2 LYS A 45 2.565 -9.660 2.568 1.00 0.00 H new ATOM 0 HE3 LYS A 45 3.270 -10.923 1.579 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 1.853 -11.852 3.307 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 3.463 -12.328 3.558 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 2.781 -11.104 4.517 1.00 0.00 H new ATOM 683 N SER A 46 7.479 -4.776 3.825 1.00 0.00 N ATOM 684 CA SER A 46 8.830 -4.151 3.920 1.00 0.00 C ATOM 685 C SER A 46 8.671 -2.677 4.284 1.00 0.00 C ATOM 686 O SER A 46 8.664 -1.813 3.428 1.00 0.00 O ATOM 687 CB SER A 46 9.556 -4.279 2.575 1.00 0.00 C ATOM 688 OG SER A 46 10.915 -3.895 2.740 1.00 0.00 O ATOM 0 H SER A 46 6.729 -4.145 3.543 1.00 0.00 H new ATOM 0 HA SER A 46 9.416 -4.657 4.687 1.00 0.00 H new ATOM 0 HB2 SER A 46 9.497 -5.305 2.212 1.00 0.00 H new ATOM 0 HB3 SER A 46 9.075 -3.648 1.827 1.00 0.00 H new ATOM 0 HG SER A 46 11.384 -3.976 1.884 1.00 0.00 H new ATOM 694 N ILE A 47 8.537 -2.389 5.551 1.00 0.00 N ATOM 695 CA ILE A 47 8.369 -0.973 5.989 1.00 0.00 C ATOM 696 C ILE A 47 9.638 -0.187 5.655 1.00 0.00 C ATOM 697 O ILE A 47 9.579 0.963 5.258 1.00 0.00 O ATOM 698 CB ILE A 47 8.111 -0.930 7.496 1.00 0.00 C ATOM 699 CG1 ILE A 47 6.915 -1.844 7.823 1.00 0.00 C ATOM 700 CG2 ILE A 47 7.803 0.516 7.907 1.00 0.00 C ATOM 701 CD1 ILE A 47 6.544 -1.730 9.305 1.00 0.00 C ATOM 0 H ILE A 47 8.537 -3.077 6.304 1.00 0.00 H new ATOM 0 HA ILE A 47 7.521 -0.526 5.470 1.00 0.00 H new ATOM 0 HB ILE A 47 8.987 -1.278 8.043 1.00 0.00 H new ATOM 0 HG12 ILE A 47 6.060 -1.569 7.206 1.00 0.00 H new ATOM 0 HG13 ILE A 47 7.163 -2.878 7.582 1.00 0.00 H new ATOM 0 HG21 ILE A 47 7.617 0.558 8.980 1.00 0.00 H new ATOM 0 HG22 ILE A 47 8.652 1.153 7.661 1.00 0.00 H new ATOM 0 HG23 ILE A 47 6.920 0.866 7.372 1.00 0.00 H new ATOM 0 HD11 ILE A 47 5.697 -2.382 9.519 1.00 0.00 H new ATOM 0 HD12 ILE A 47 7.395 -2.028 9.917 1.00 0.00 H new ATOM 0 HD13 ILE A 47 6.275 -0.699 9.534 1.00 0.00 H new ATOM 713 N MET A 48 10.783 -0.802 5.808 1.00 0.00 N ATOM 714 CA MET A 48 12.063 -0.102 5.496 1.00 0.00 C ATOM 715 C MET A 48 12.230 -0.002 3.979 1.00 0.00 C ATOM 716 O MET A 48 12.832 0.926 3.472 1.00 0.00 O ATOM 717 CB MET A 48 13.234 -0.891 6.089 1.00 0.00 C ATOM 718 CG MET A 48 14.531 -0.104 5.896 1.00 0.00 C ATOM 719 SD MET A 48 15.946 -1.213 6.108 1.00 0.00 S ATOM 720 CE MET A 48 16.395 -0.691 7.781 1.00 0.00 C ATOM 0 H MET A 48 10.885 -1.762 6.137 1.00 0.00 H new ATOM 0 HA MET A 48 12.046 0.899 5.927 1.00 0.00 H new ATOM 0 HB2 MET A 48 13.062 -1.075 7.150 1.00 0.00 H new ATOM 0 HB3 MET A 48 13.312 -1.865 5.605 1.00 0.00 H new ATOM 0 HG2 MET A 48 14.552 0.345 4.903 1.00 0.00 H new ATOM 0 HG3 MET A 48 14.584 0.713 6.616 1.00 0.00 H new ATOM 0 HE1 MET A 48 17.263 -1.258 8.119 1.00 0.00 H new ATOM 0 HE2 MET A 48 16.635 0.372 7.778 1.00 0.00 H new ATOM 0 HE3 MET A 48 15.558 -0.872 8.456 1.00 0.00 H new ATOM 730 N GLY A 49 11.702 -0.954 3.251 1.00 0.00 N ATOM 731 CA GLY A 49 11.824 -0.925 1.764 1.00 0.00 C ATOM 732 C GLY A 49 11.073 0.288 1.212 1.00 0.00 C ATOM 733 O GLY A 49 11.493 0.903 0.250 1.00 0.00 O ATOM 0 H GLY A 49 11.190 -1.753 3.626 1.00 0.00 H new ATOM 0 HA2 GLY A 49 12.874 -0.877 1.476 1.00 0.00 H new ATOM 0 HA3 GLY A 49 11.418 -1.842 1.338 1.00 0.00 H new ATOM 737 N VAL A 50 9.965 0.634 1.817 1.00 0.00 N ATOM 738 CA VAL A 50 9.180 1.810 1.335 1.00 0.00 C ATOM 739 C VAL A 50 9.969 3.093 1.606 1.00 0.00 C ATOM 740 O VAL A 50 9.839 4.072 0.893 1.00 0.00 O ATOM 741 CB VAL A 50 7.837 1.864 2.073 1.00 0.00 C ATOM 742 CG1 VAL A 50 6.985 3.002 1.509 1.00 0.00 C ATOM 743 CG2 VAL A 50 7.098 0.538 1.881 1.00 0.00 C ATOM 0 H VAL A 50 9.570 0.152 2.625 1.00 0.00 H new ATOM 0 HA VAL A 50 9.000 1.716 0.264 1.00 0.00 H new ATOM 0 HB VAL A 50 8.016 2.036 3.134 1.00 0.00 H new ATOM 0 HG11 VAL A 50 6.031 3.038 2.035 1.00 0.00 H new ATOM 0 HG12 VAL A 50 7.509 3.949 1.642 1.00 0.00 H new ATOM 0 HG13 VAL A 50 6.807 2.832 0.447 1.00 0.00 H new ATOM 0 HG21 VAL A 50 6.143 0.575 2.405 1.00 0.00 H new ATOM 0 HG22 VAL A 50 6.923 0.370 0.818 1.00 0.00 H new ATOM 0 HG23 VAL A 50 7.701 -0.276 2.283 1.00 0.00 H new ATOM 753 N VAL A 51 10.787 3.096 2.630 1.00 0.00 N ATOM 754 CA VAL A 51 11.589 4.312 2.951 1.00 0.00 C ATOM 755 C VAL A 51 12.587 4.578 1.822 1.00 0.00 C ATOM 756 O VAL A 51 12.889 5.713 1.506 1.00 0.00 O ATOM 757 CB VAL A 51 12.349 4.090 4.260 1.00 0.00 C ATOM 758 CG1 VAL A 51 13.050 5.386 4.672 1.00 0.00 C ATOM 759 CG2 VAL A 51 11.364 3.676 5.357 1.00 0.00 C ATOM 0 H VAL A 51 10.932 2.305 3.258 1.00 0.00 H new ATOM 0 HA VAL A 51 10.923 5.169 3.057 1.00 0.00 H new ATOM 0 HB VAL A 51 13.091 3.304 4.119 1.00 0.00 H new ATOM 0 HG11 VAL A 51 13.591 5.226 5.605 1.00 0.00 H new ATOM 0 HG12 VAL A 51 13.751 5.684 3.892 1.00 0.00 H new ATOM 0 HG13 VAL A 51 12.308 6.172 4.813 1.00 0.00 H new ATOM 0 HG21 VAL A 51 11.904 3.517 6.290 1.00 0.00 H new ATOM 0 HG22 VAL A 51 10.623 4.463 5.496 1.00 0.00 H new ATOM 0 HG23 VAL A 51 10.863 2.753 5.067 1.00 0.00 H new ATOM 769 N SER A 52 13.100 3.538 1.215 1.00 0.00 N ATOM 770 CA SER A 52 14.080 3.719 0.104 1.00 0.00 C ATOM 771 C SER A 52 13.404 4.446 -1.060 1.00 0.00 C ATOM 772 O SER A 52 14.032 5.193 -1.785 1.00 0.00 O ATOM 773 CB SER A 52 14.576 2.353 -0.368 1.00 0.00 C ATOM 774 OG SER A 52 13.514 1.664 -1.012 1.00 0.00 O ATOM 0 H SER A 52 12.881 2.568 1.443 1.00 0.00 H new ATOM 0 HA SER A 52 14.925 4.309 0.459 1.00 0.00 H new ATOM 0 HB2 SER A 52 15.414 2.475 -1.054 1.00 0.00 H new ATOM 0 HB3 SER A 52 14.940 1.773 0.480 1.00 0.00 H new ATOM 0 HG SER A 52 12.695 1.755 -0.481 1.00 0.00 H new ATOM 780 N LEU A 53 12.126 4.228 -1.242 1.00 0.00 N ATOM 781 CA LEU A 53 11.397 4.899 -2.357 1.00 0.00 C ATOM 782 C LEU A 53 11.260 6.391 -2.049 1.00 0.00 C ATOM 783 O LEU A 53 11.582 7.234 -2.866 1.00 0.00 O ATOM 784 CB LEU A 53 10.007 4.277 -2.504 1.00 0.00 C ATOM 785 CG LEU A 53 10.101 3.003 -3.346 1.00 0.00 C ATOM 786 CD1 LEU A 53 10.928 1.954 -2.598 1.00 0.00 C ATOM 787 CD2 LEU A 53 8.693 2.455 -3.600 1.00 0.00 C ATOM 0 H LEU A 53 11.556 3.612 -0.663 1.00 0.00 H new ATOM 0 HA LEU A 53 11.952 4.769 -3.286 1.00 0.00 H new ATOM 0 HB2 LEU A 53 9.595 4.046 -1.522 1.00 0.00 H new ATOM 0 HB3 LEU A 53 9.328 4.987 -2.975 1.00 0.00 H new ATOM 0 HG LEU A 53 10.581 3.232 -4.298 1.00 0.00 H new ATOM 0 HD11 LEU A 53 10.994 1.047 -3.199 1.00 0.00 H new ATOM 0 HD12 LEU A 53 11.930 2.343 -2.416 1.00 0.00 H new ATOM 0 HD13 LEU A 53 10.449 1.725 -1.646 1.00 0.00 H new ATOM 0 HD21 LEU A 53 8.759 1.547 -4.200 1.00 0.00 H new ATOM 0 HD22 LEU A 53 8.214 2.227 -2.648 1.00 0.00 H new ATOM 0 HD23 LEU A 53 8.103 3.200 -4.133 1.00 0.00 H new ATOM 799 N GLY A 54 10.785 6.721 -0.875 1.00 0.00 N ATOM 800 CA GLY A 54 10.623 8.157 -0.503 1.00 0.00 C ATOM 801 C GLY A 54 9.397 8.736 -1.211 1.00 0.00 C ATOM 802 O GLY A 54 9.498 9.683 -1.968 1.00 0.00 O ATOM 0 H GLY A 54 10.502 6.055 -0.157 1.00 0.00 H new ATOM 0 HA2 GLY A 54 10.511 8.253 0.577 1.00 0.00 H new ATOM 0 HA3 GLY A 54 11.515 8.718 -0.782 1.00 0.00 H new ATOM 806 N ILE A 55 8.240 8.174 -0.967 1.00 0.00 N ATOM 807 CA ILE A 55 7.000 8.686 -1.621 1.00 0.00 C ATOM 808 C ILE A 55 6.613 10.026 -0.995 1.00 0.00 C ATOM 809 O ILE A 55 7.066 10.372 0.081 1.00 0.00 O ATOM 810 CB ILE A 55 5.865 7.678 -1.424 1.00 0.00 C ATOM 811 CG1 ILE A 55 6.312 6.305 -1.930 1.00 0.00 C ATOM 812 CG2 ILE A 55 4.634 8.133 -2.212 1.00 0.00 C ATOM 813 CD1 ILE A 55 5.360 5.230 -1.402 1.00 0.00 C ATOM 0 H ILE A 55 8.102 7.381 -0.341 1.00 0.00 H new ATOM 0 HA ILE A 55 7.179 8.823 -2.688 1.00 0.00 H new ATOM 0 HB ILE A 55 5.616 7.615 -0.365 1.00 0.00 H new ATOM 0 HG12 ILE A 55 6.322 6.293 -3.020 1.00 0.00 H new ATOM 0 HG13 ILE A 55 7.330 6.098 -1.600 1.00 0.00 H new ATOM 0 HG21 ILE A 55 3.826 7.415 -2.071 1.00 0.00 H new ATOM 0 HG22 ILE A 55 4.315 9.112 -1.855 1.00 0.00 H new ATOM 0 HG23 ILE A 55 4.883 8.196 -3.271 1.00 0.00 H new ATOM 0 HD11 ILE A 55 5.679 4.252 -1.763 1.00 0.00 H new ATOM 0 HD12 ILE A 55 5.373 5.236 -0.312 1.00 0.00 H new ATOM 0 HD13 ILE A 55 4.349 5.434 -1.754 1.00 0.00 H new ATOM 825 N ALA A 56 5.781 10.783 -1.664 1.00 0.00 N ATOM 826 CA ALA A 56 5.363 12.106 -1.119 1.00 0.00 C ATOM 827 C ALA A 56 3.888 12.353 -1.447 1.00 0.00 C ATOM 828 O ALA A 56 3.256 11.569 -2.130 1.00 0.00 O ATOM 829 CB ALA A 56 6.222 13.203 -1.751 1.00 0.00 C ATOM 0 H ALA A 56 5.373 10.539 -2.567 1.00 0.00 H new ATOM 0 HA ALA A 56 5.495 12.116 -0.037 1.00 0.00 H new ATOM 0 HB1 ALA A 56 5.921 14.173 -1.356 1.00 0.00 H new ATOM 0 HB2 ALA A 56 7.271 13.025 -1.515 1.00 0.00 H new ATOM 0 HB3 ALA A 56 6.087 13.193 -2.833 1.00 0.00 H new ATOM 835 N LYS A 57 3.338 13.436 -0.960 1.00 0.00 N ATOM 836 CA LYS A 57 1.902 13.744 -1.235 1.00 0.00 C ATOM 837 C LYS A 57 1.687 13.909 -2.743 1.00 0.00 C ATOM 838 O LYS A 57 2.592 14.274 -3.470 1.00 0.00 O ATOM 839 CB LYS A 57 1.506 15.039 -0.510 1.00 0.00 C ATOM 840 CG LYS A 57 2.392 16.197 -0.980 1.00 0.00 C ATOM 841 CD LYS A 57 2.184 17.404 -0.063 1.00 0.00 C ATOM 842 CE LYS A 57 0.778 17.970 -0.274 1.00 0.00 C ATOM 843 NZ LYS A 57 0.713 19.353 0.278 1.00 0.00 N ATOM 0 H LYS A 57 3.823 14.122 -0.382 1.00 0.00 H new ATOM 0 HA LYS A 57 1.282 12.924 -0.873 1.00 0.00 H new ATOM 0 HB2 LYS A 57 0.459 15.269 -0.706 1.00 0.00 H new ATOM 0 HB3 LYS A 57 1.607 14.907 0.567 1.00 0.00 H new ATOM 0 HG2 LYS A 57 3.439 15.895 -0.969 1.00 0.00 H new ATOM 0 HG3 LYS A 57 2.147 16.462 -2.009 1.00 0.00 H new ATOM 0 HD2 LYS A 57 2.317 17.110 0.978 1.00 0.00 H new ATOM 0 HD3 LYS A 57 2.931 18.169 -0.276 1.00 0.00 H new ATOM 0 HE2 LYS A 57 0.533 17.979 -1.336 1.00 0.00 H new ATOM 0 HE3 LYS A 57 0.041 17.335 0.218 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -0.242 19.739 0.135 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 0.929 19.331 1.295 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 1.406 19.955 -0.211 1.00 0.00 H new ATOM 857 N GLY A 58 0.495 13.641 -3.213 1.00 0.00 N ATOM 858 CA GLY A 58 0.211 13.780 -4.672 1.00 0.00 C ATOM 859 C GLY A 58 1.078 12.795 -5.459 1.00 0.00 C ATOM 860 O GLY A 58 1.928 13.189 -6.237 1.00 0.00 O ATOM 0 H GLY A 58 -0.295 13.331 -2.647 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -0.844 13.588 -4.867 1.00 0.00 H new ATOM 0 HA3 GLY A 58 0.415 14.800 -4.997 1.00 0.00 H new ATOM 864 N ALA A 59 0.871 11.518 -5.260 1.00 0.00 N ATOM 865 CA ALA A 59 1.679 10.500 -5.992 1.00 0.00 C ATOM 866 C ALA A 59 0.762 9.383 -6.494 1.00 0.00 C ATOM 867 O ALA A 59 -0.407 9.332 -6.159 1.00 0.00 O ATOM 868 CB ALA A 59 2.730 9.911 -5.049 1.00 0.00 C ATOM 0 H ALA A 59 0.175 11.137 -4.620 1.00 0.00 H new ATOM 0 HA ALA A 59 2.174 10.972 -6.841 1.00 0.00 H new ATOM 0 HB1 ALA A 59 3.321 9.167 -5.583 1.00 0.00 H new ATOM 0 HB2 ALA A 59 3.384 10.706 -4.691 1.00 0.00 H new ATOM 0 HB3 ALA A 59 2.234 9.440 -4.200 1.00 0.00 H new ATOM 874 N GLU A 60 1.285 8.490 -7.294 1.00 0.00 N ATOM 875 CA GLU A 60 0.453 7.371 -7.824 1.00 0.00 C ATOM 876 C GLU A 60 1.117 6.036 -7.481 1.00 0.00 C ATOM 877 O GLU A 60 2.292 5.838 -7.723 1.00 0.00 O ATOM 878 CB GLU A 60 0.327 7.503 -9.343 1.00 0.00 C ATOM 879 CG GLU A 60 -0.614 8.662 -9.679 1.00 0.00 C ATOM 880 CD GLU A 60 -1.329 8.373 -11.000 1.00 0.00 C ATOM 881 OE1 GLU A 60 -1.812 7.264 -11.161 1.00 0.00 O ATOM 882 OE2 GLU A 60 -1.381 9.266 -11.830 1.00 0.00 O ATOM 0 H GLU A 60 2.257 8.489 -7.604 1.00 0.00 H new ATOM 0 HA GLU A 60 -0.539 7.410 -7.373 1.00 0.00 H new ATOM 0 HB2 GLU A 60 1.308 7.677 -9.786 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -0.055 6.575 -9.769 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -1.343 8.795 -8.880 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -0.050 9.592 -9.754 1.00 0.00 H new ATOM 889 N ILE A 61 0.371 5.123 -6.917 1.00 0.00 N ATOM 890 CA ILE A 61 0.947 3.795 -6.549 1.00 0.00 C ATOM 891 C ILE A 61 0.071 2.683 -7.131 1.00 0.00 C ATOM 892 O ILE A 61 -1.117 2.859 -7.328 1.00 0.00 O ATOM 893 CB ILE A 61 1.001 3.667 -5.024 1.00 0.00 C ATOM 894 CG1 ILE A 61 -0.383 3.973 -4.435 1.00 0.00 C ATOM 895 CG2 ILE A 61 2.026 4.659 -4.470 1.00 0.00 C ATOM 896 CD1 ILE A 61 -0.361 3.769 -2.917 1.00 0.00 C ATOM 0 H ILE A 61 -0.617 5.240 -6.694 1.00 0.00 H new ATOM 0 HA ILE A 61 1.956 3.709 -6.953 1.00 0.00 H new ATOM 0 HB ILE A 61 1.292 2.653 -4.752 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -0.668 4.999 -4.669 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -1.132 3.323 -4.887 1.00 0.00 H new ATOM 0 HG21 ILE A 61 2.067 4.571 -3.384 1.00 0.00 H new ATOM 0 HG22 ILE A 61 3.008 4.440 -4.890 1.00 0.00 H new ATOM 0 HG23 ILE A 61 1.734 5.674 -4.741 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -1.347 3.988 -2.506 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -0.096 2.736 -2.693 1.00 0.00 H new ATOM 0 HD13 ILE A 61 0.375 4.438 -2.471 1.00 0.00 H new ATOM 908 N THR A 62 0.650 1.541 -7.409 1.00 0.00 N ATOM 909 CA THR A 62 -0.144 0.415 -7.984 1.00 0.00 C ATOM 910 C THR A 62 0.151 -0.871 -7.209 1.00 0.00 C ATOM 911 O THR A 62 1.226 -1.432 -7.307 1.00 0.00 O ATOM 912 CB THR A 62 0.236 0.221 -9.453 1.00 0.00 C ATOM 913 OG1 THR A 62 0.543 1.482 -10.031 1.00 0.00 O ATOM 914 CG2 THR A 62 -0.934 -0.416 -10.205 1.00 0.00 C ATOM 0 H THR A 62 1.639 1.341 -7.262 1.00 0.00 H new ATOM 0 HA THR A 62 -1.206 0.648 -7.909 1.00 0.00 H new ATOM 0 HB THR A 62 1.106 -0.432 -9.521 1.00 0.00 H new ATOM 0 HG1 THR A 62 0.788 1.360 -10.972 1.00 0.00 H new ATOM 0 HG21 THR A 62 -0.662 -0.554 -11.252 1.00 0.00 H new ATOM 0 HG22 THR A 62 -1.169 -1.383 -9.761 1.00 0.00 H new ATOM 0 HG23 THR A 62 -1.806 0.235 -10.139 1.00 0.00 H new ATOM 922 N ILE A 63 -0.801 -1.342 -6.443 1.00 0.00 N ATOM 923 CA ILE A 63 -0.590 -2.593 -5.659 1.00 0.00 C ATOM 924 C ILE A 63 -1.110 -3.788 -6.466 1.00 0.00 C ATOM 925 O ILE A 63 -1.959 -3.643 -7.326 1.00 0.00 O ATOM 926 CB ILE A 63 -1.344 -2.486 -4.327 1.00 0.00 C ATOM 927 CG1 ILE A 63 -0.779 -1.309 -3.526 1.00 0.00 C ATOM 928 CG2 ILE A 63 -1.175 -3.778 -3.519 1.00 0.00 C ATOM 929 CD1 ILE A 63 -1.609 -1.102 -2.258 1.00 0.00 C ATOM 0 H ILE A 63 -1.718 -0.911 -6.328 1.00 0.00 H new ATOM 0 HA ILE A 63 0.472 -2.734 -5.458 1.00 0.00 H new ATOM 0 HB ILE A 63 -2.404 -2.329 -4.526 1.00 0.00 H new ATOM 0 HG12 ILE A 63 0.261 -1.501 -3.264 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -0.793 -0.404 -4.133 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -1.714 -3.690 -2.576 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -1.573 -4.618 -4.088 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -0.117 -3.945 -3.318 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -1.204 -0.264 -1.691 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -2.643 -0.890 -2.530 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -1.572 -2.004 -1.648 1.00 0.00 H new ATOM 941 N SER A 64 -0.602 -4.963 -6.194 1.00 0.00 N ATOM 942 CA SER A 64 -1.057 -6.172 -6.939 1.00 0.00 C ATOM 943 C SER A 64 -0.944 -7.407 -6.042 1.00 0.00 C ATOM 944 O SER A 64 0.140 -7.856 -5.723 1.00 0.00 O ATOM 945 CB SER A 64 -0.185 -6.364 -8.180 1.00 0.00 C ATOM 946 OG SER A 64 1.175 -6.129 -7.839 1.00 0.00 O ATOM 0 H SER A 64 0.111 -5.136 -5.485 1.00 0.00 H new ATOM 0 HA SER A 64 -2.096 -6.039 -7.239 1.00 0.00 H new ATOM 0 HB2 SER A 64 -0.305 -7.375 -8.570 1.00 0.00 H new ATOM 0 HB3 SER A 64 -0.498 -5.679 -8.968 1.00 0.00 H new ATOM 0 HG SER A 64 1.393 -6.611 -7.014 1.00 0.00 H new ATOM 952 N ALA A 65 -2.061 -7.959 -5.640 1.00 0.00 N ATOM 953 CA ALA A 65 -2.036 -9.171 -4.768 1.00 0.00 C ATOM 954 C ALA A 65 -2.025 -10.420 -5.654 1.00 0.00 C ATOM 955 O ALA A 65 -2.807 -10.537 -6.579 1.00 0.00 O ATOM 956 CB ALA A 65 -3.284 -9.185 -3.883 1.00 0.00 C ATOM 0 H ALA A 65 -2.993 -7.620 -5.880 1.00 0.00 H new ATOM 0 HA ALA A 65 -1.146 -9.157 -4.138 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -3.268 -10.069 -3.245 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -3.299 -8.290 -3.262 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -4.175 -9.206 -4.511 1.00 0.00 H new ATOM 962 N SER A 66 -1.143 -11.349 -5.382 1.00 0.00 N ATOM 963 CA SER A 66 -1.077 -12.590 -6.213 1.00 0.00 C ATOM 964 C SER A 66 -0.804 -13.799 -5.313 1.00 0.00 C ATOM 965 O SER A 66 0.295 -13.982 -4.825 1.00 0.00 O ATOM 966 CB SER A 66 0.042 -12.447 -7.250 1.00 0.00 C ATOM 967 OG SER A 66 -0.519 -12.514 -8.555 1.00 0.00 O ATOM 0 H SER A 66 -0.466 -11.302 -4.621 1.00 0.00 H new ATOM 0 HA SER A 66 -2.027 -12.737 -6.726 1.00 0.00 H new ATOM 0 HB2 SER A 66 0.562 -11.499 -7.113 1.00 0.00 H new ATOM 0 HB3 SER A 66 0.780 -13.238 -7.117 1.00 0.00 H new ATOM 0 HG SER A 66 0.193 -12.421 -9.222 1.00 0.00 H new ATOM 973 N GLY A 67 -1.795 -14.626 -5.098 1.00 0.00 N ATOM 974 CA GLY A 67 -1.603 -15.828 -4.235 1.00 0.00 C ATOM 975 C GLY A 67 -2.939 -16.553 -4.063 1.00 0.00 C ATOM 976 O GLY A 67 -3.661 -16.775 -5.018 1.00 0.00 O ATOM 0 H GLY A 67 -2.733 -14.519 -5.485 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -0.869 -16.497 -4.684 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -1.211 -15.531 -3.262 1.00 0.00 H new ATOM 980 N ALA A 68 -3.272 -16.921 -2.852 1.00 0.00 N ATOM 981 CA ALA A 68 -4.561 -17.632 -2.607 1.00 0.00 C ATOM 982 C ALA A 68 -5.665 -16.606 -2.341 1.00 0.00 C ATOM 983 O ALA A 68 -6.629 -16.516 -3.078 1.00 0.00 O ATOM 984 CB ALA A 68 -4.413 -18.546 -1.390 1.00 0.00 C ATOM 0 H ALA A 68 -2.704 -16.759 -2.020 1.00 0.00 H new ATOM 0 HA ALA A 68 -4.821 -18.228 -3.482 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -5.354 -19.066 -1.209 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -3.625 -19.275 -1.576 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -4.155 -17.949 -0.516 1.00 0.00 H new ATOM 990 N ASP A 69 -5.526 -15.834 -1.294 1.00 0.00 N ATOM 991 CA ASP A 69 -6.561 -14.809 -0.970 1.00 0.00 C ATOM 992 C ASP A 69 -6.103 -13.443 -1.490 1.00 0.00 C ATOM 993 O ASP A 69 -6.205 -12.440 -0.809 1.00 0.00 O ATOM 994 CB ASP A 69 -6.759 -14.745 0.549 1.00 0.00 C ATOM 995 CG ASP A 69 -5.407 -14.542 1.238 1.00 0.00 C ATOM 996 OD1 ASP A 69 -4.696 -13.630 0.850 1.00 0.00 O ATOM 997 OD2 ASP A 69 -5.106 -15.303 2.143 1.00 0.00 O ATOM 0 H ASP A 69 -4.737 -15.870 -0.648 1.00 0.00 H new ATOM 0 HA ASP A 69 -7.505 -15.079 -1.444 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -7.434 -13.928 0.803 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -7.224 -15.665 0.904 1.00 0.00 H new ATOM 1002 N GLU A 70 -5.595 -13.404 -2.695 1.00 0.00 N ATOM 1003 CA GLU A 70 -5.120 -12.113 -3.277 1.00 0.00 C ATOM 1004 C GLU A 70 -6.290 -11.130 -3.387 1.00 0.00 C ATOM 1005 O GLU A 70 -6.112 -9.930 -3.284 1.00 0.00 O ATOM 1006 CB GLU A 70 -4.533 -12.367 -4.669 1.00 0.00 C ATOM 1007 CG GLU A 70 -5.572 -13.065 -5.552 1.00 0.00 C ATOM 1008 CD GLU A 70 -5.048 -13.157 -6.986 1.00 0.00 C ATOM 1009 OE1 GLU A 70 -4.448 -12.197 -7.440 1.00 0.00 O ATOM 1010 OE2 GLU A 70 -5.254 -14.188 -7.606 1.00 0.00 O ATOM 0 H GLU A 70 -5.488 -14.215 -3.304 1.00 0.00 H new ATOM 0 HA GLU A 70 -4.354 -11.687 -2.629 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -4.231 -11.424 -5.124 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -3.638 -12.983 -4.589 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -5.781 -14.063 -5.166 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -6.511 -12.512 -5.532 1.00 0.00 H new ATOM 1017 N ASN A 71 -7.480 -11.630 -3.599 1.00 0.00 N ATOM 1018 CA ASN A 71 -8.665 -10.731 -3.722 1.00 0.00 C ATOM 1019 C ASN A 71 -9.011 -10.146 -2.350 1.00 0.00 C ATOM 1020 O ASN A 71 -9.420 -9.005 -2.239 1.00 0.00 O ATOM 1021 CB ASN A 71 -9.857 -11.531 -4.250 1.00 0.00 C ATOM 1022 CG ASN A 71 -9.789 -11.604 -5.777 1.00 0.00 C ATOM 1023 OD1 ASN A 71 -9.906 -10.599 -6.451 1.00 0.00 O ATOM 1024 ND2 ASN A 71 -9.602 -12.759 -6.356 1.00 0.00 N ATOM 0 H ASN A 71 -7.682 -12.625 -3.692 1.00 0.00 H new ATOM 0 HA ASN A 71 -8.434 -9.920 -4.413 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -9.850 -12.536 -3.827 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -10.790 -11.061 -3.939 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -9.554 -12.818 -7.373 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -9.504 -13.603 -5.791 1.00 0.00 H new ATOM 1031 N ASP A 72 -8.854 -10.920 -1.309 1.00 0.00 N ATOM 1032 CA ASP A 72 -9.176 -10.421 0.062 1.00 0.00 C ATOM 1033 C ASP A 72 -8.043 -9.527 0.583 1.00 0.00 C ATOM 1034 O ASP A 72 -8.232 -8.754 1.504 1.00 0.00 O ATOM 1035 CB ASP A 72 -9.358 -11.611 1.007 1.00 0.00 C ATOM 1036 CG ASP A 72 -10.616 -12.387 0.613 1.00 0.00 C ATOM 1037 OD1 ASP A 72 -10.659 -12.882 -0.501 1.00 0.00 O ATOM 1038 OD2 ASP A 72 -11.514 -12.475 1.434 1.00 0.00 O ATOM 0 H ASP A 72 -8.515 -11.881 -1.349 1.00 0.00 H new ATOM 0 HA ASP A 72 -10.096 -9.838 0.019 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -8.486 -12.263 0.960 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -9.440 -11.262 2.036 1.00 0.00 H new ATOM 1043 N ALA A 73 -6.865 -9.631 0.016 1.00 0.00 N ATOM 1044 CA ALA A 73 -5.731 -8.787 0.490 1.00 0.00 C ATOM 1045 C ALA A 73 -5.813 -7.392 -0.137 1.00 0.00 C ATOM 1046 O ALA A 73 -5.624 -6.396 0.533 1.00 0.00 O ATOM 1047 CB ALA A 73 -4.404 -9.438 0.102 1.00 0.00 C ATOM 0 H ALA A 73 -6.643 -10.264 -0.753 1.00 0.00 H new ATOM 0 HA ALA A 73 -5.791 -8.697 1.575 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -3.579 -8.817 0.451 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -4.335 -10.425 0.560 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -4.351 -9.537 -0.982 1.00 0.00 H new ATOM 1053 N LEU A 74 -6.074 -7.314 -1.420 1.00 0.00 N ATOM 1054 CA LEU A 74 -6.144 -5.980 -2.090 1.00 0.00 C ATOM 1055 C LEU A 74 -7.333 -5.176 -1.549 1.00 0.00 C ATOM 1056 O LEU A 74 -7.222 -3.987 -1.309 1.00 0.00 O ATOM 1057 CB LEU A 74 -6.267 -6.160 -3.613 1.00 0.00 C ATOM 1058 CG LEU A 74 -7.581 -6.861 -3.979 1.00 0.00 C ATOM 1059 CD1 LEU A 74 -8.692 -5.817 -4.169 1.00 0.00 C ATOM 1060 CD2 LEU A 74 -7.385 -7.644 -5.281 1.00 0.00 C ATOM 0 H LEU A 74 -6.241 -8.115 -2.029 1.00 0.00 H new ATOM 0 HA LEU A 74 -5.228 -5.430 -1.876 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -6.221 -5.187 -4.103 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -5.424 -6.743 -3.983 1.00 0.00 H new ATOM 0 HG LEU A 74 -7.866 -7.543 -3.178 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -9.623 -6.320 -4.429 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -8.828 -5.258 -3.243 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -8.414 -5.132 -4.970 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -8.315 -8.145 -5.548 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -7.101 -6.958 -6.079 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -6.599 -8.387 -5.144 1.00 0.00 H new ATOM 1072 N ASN A 75 -8.463 -5.809 -1.357 1.00 0.00 N ATOM 1073 CA ASN A 75 -9.651 -5.071 -0.832 1.00 0.00 C ATOM 1074 C ASN A 75 -9.497 -4.862 0.679 1.00 0.00 C ATOM 1075 O ASN A 75 -10.124 -3.993 1.253 1.00 0.00 O ATOM 1076 CB ASN A 75 -10.937 -5.852 -1.133 1.00 0.00 C ATOM 1077 CG ASN A 75 -10.882 -7.243 -0.494 1.00 0.00 C ATOM 1078 OD1 ASN A 75 -9.930 -7.582 0.175 1.00 0.00 O ATOM 1079 ND2 ASN A 75 -11.876 -8.068 -0.678 1.00 0.00 N ATOM 0 H ASN A 75 -8.614 -6.801 -1.540 1.00 0.00 H new ATOM 0 HA ASN A 75 -9.716 -4.100 -1.323 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -11.799 -5.305 -0.753 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -11.069 -5.945 -2.211 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -11.852 -8.998 -0.259 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -12.678 -7.783 -1.241 1.00 0.00 H new ATOM 1086 N ALA A 76 -8.659 -5.641 1.326 1.00 0.00 N ATOM 1087 CA ALA A 76 -8.455 -5.467 2.792 1.00 0.00 C ATOM 1088 C ALA A 76 -7.724 -4.145 3.026 1.00 0.00 C ATOM 1089 O ALA A 76 -8.203 -3.278 3.733 1.00 0.00 O ATOM 1090 CB ALA A 76 -7.613 -6.622 3.333 1.00 0.00 C ATOM 0 H ALA A 76 -8.111 -6.387 0.898 1.00 0.00 H new ATOM 0 HA ALA A 76 -9.416 -5.459 3.306 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -7.465 -6.493 4.405 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -8.128 -7.565 3.149 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -6.645 -6.633 2.832 1.00 0.00 H new ATOM 1096 N LEU A 77 -6.568 -3.984 2.431 1.00 0.00 N ATOM 1097 CA LEU A 77 -5.805 -2.715 2.607 1.00 0.00 C ATOM 1098 C LEU A 77 -6.609 -1.552 2.021 1.00 0.00 C ATOM 1099 O LEU A 77 -6.507 -0.431 2.479 1.00 0.00 O ATOM 1100 CB LEU A 77 -4.462 -2.820 1.883 1.00 0.00 C ATOM 1101 CG LEU A 77 -3.720 -4.086 2.348 1.00 0.00 C ATOM 1102 CD1 LEU A 77 -3.376 -4.951 1.136 1.00 0.00 C ATOM 1103 CD2 LEU A 77 -2.429 -3.691 3.072 1.00 0.00 C ATOM 0 H LEU A 77 -6.122 -4.678 1.831 1.00 0.00 H new ATOM 0 HA LEU A 77 -5.632 -2.541 3.669 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -4.621 -2.855 0.805 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -3.857 -1.936 2.088 1.00 0.00 H new ATOM 0 HG LEU A 77 -4.360 -4.648 3.028 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -2.851 -5.847 1.466 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -4.293 -5.237 0.621 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -2.739 -4.387 0.455 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -1.906 -4.589 3.400 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -1.790 -3.126 2.394 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -2.671 -3.076 3.938 1.00 0.00 H new ATOM 1115 N GLU A 78 -7.404 -1.811 1.009 1.00 0.00 N ATOM 1116 CA GLU A 78 -8.215 -0.719 0.387 1.00 0.00 C ATOM 1117 C GLU A 78 -9.155 -0.103 1.432 1.00 0.00 C ATOM 1118 O GLU A 78 -9.161 1.097 1.636 1.00 0.00 O ATOM 1119 CB GLU A 78 -9.041 -1.300 -0.769 1.00 0.00 C ATOM 1120 CG GLU A 78 -9.833 -0.183 -1.466 1.00 0.00 C ATOM 1121 CD GLU A 78 -11.315 -0.292 -1.100 1.00 0.00 C ATOM 1122 OE1 GLU A 78 -11.621 -0.207 0.078 1.00 0.00 O ATOM 1123 OE2 GLU A 78 -12.118 -0.459 -2.003 1.00 0.00 O ATOM 0 H GLU A 78 -7.525 -2.732 0.588 1.00 0.00 H new ATOM 0 HA GLU A 78 -7.548 0.056 0.010 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -8.383 -1.791 -1.486 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -9.725 -2.060 -0.391 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -9.446 0.791 -1.167 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -9.709 -0.257 -2.546 1.00 0.00 H new ATOM 1130 N GLU A 79 -9.952 -0.911 2.090 1.00 0.00 N ATOM 1131 CA GLU A 79 -10.895 -0.371 3.117 1.00 0.00 C ATOM 1132 C GLU A 79 -10.109 0.331 4.228 1.00 0.00 C ATOM 1133 O GLU A 79 -10.610 1.231 4.873 1.00 0.00 O ATOM 1134 CB GLU A 79 -11.722 -1.516 3.709 1.00 0.00 C ATOM 1135 CG GLU A 79 -10.792 -2.584 4.291 1.00 0.00 C ATOM 1136 CD GLU A 79 -11.562 -3.434 5.303 1.00 0.00 C ATOM 1137 OE1 GLU A 79 -12.343 -4.268 4.875 1.00 0.00 O ATOM 1138 OE2 GLU A 79 -11.357 -3.237 6.489 1.00 0.00 O ATOM 0 H GLU A 79 -9.989 -1.922 1.959 1.00 0.00 H new ATOM 0 HA GLU A 79 -11.564 0.349 2.646 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -12.383 -1.134 4.487 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -12.356 -1.954 2.938 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -10.401 -3.215 3.493 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -9.936 -2.112 4.773 1.00 0.00 H new ATOM 1145 N THR A 80 -8.879 -0.066 4.447 1.00 0.00 N ATOM 1146 CA THR A 80 -8.058 0.589 5.506 1.00 0.00 C ATOM 1147 C THR A 80 -7.711 2.005 5.048 1.00 0.00 C ATOM 1148 O THR A 80 -7.658 2.932 5.833 1.00 0.00 O ATOM 1149 CB THR A 80 -6.770 -0.210 5.723 1.00 0.00 C ATOM 1150 OG1 THR A 80 -7.096 -1.563 6.009 1.00 0.00 O ATOM 1151 CG2 THR A 80 -5.986 0.387 6.893 1.00 0.00 C ATOM 0 H THR A 80 -8.411 -0.815 3.937 1.00 0.00 H new ATOM 0 HA THR A 80 -8.616 0.626 6.442 1.00 0.00 H new ATOM 0 HB THR A 80 -6.159 -0.166 4.821 1.00 0.00 H new ATOM 0 HG1 THR A 80 -7.409 -2.004 5.192 1.00 0.00 H new ATOM 0 HG21 THR A 80 -5.070 -0.183 7.046 1.00 0.00 H new ATOM 0 HG22 THR A 80 -5.735 1.424 6.671 1.00 0.00 H new ATOM 0 HG23 THR A 80 -6.594 0.346 7.797 1.00 0.00 H new ATOM 1159 N MET A 81 -7.486 2.170 3.771 1.00 0.00 N ATOM 1160 CA MET A 81 -7.154 3.514 3.221 1.00 0.00 C ATOM 1161 C MET A 81 -8.405 4.394 3.254 1.00 0.00 C ATOM 1162 O MET A 81 -8.325 5.600 3.390 1.00 0.00 O ATOM 1163 CB MET A 81 -6.677 3.357 1.774 1.00 0.00 C ATOM 1164 CG MET A 81 -5.245 2.806 1.758 1.00 0.00 C ATOM 1165 SD MET A 81 -4.067 4.158 1.500 1.00 0.00 S ATOM 1166 CE MET A 81 -4.038 4.089 -0.309 1.00 0.00 C ATOM 0 H MET A 81 -7.519 1.421 3.079 1.00 0.00 H new ATOM 0 HA MET A 81 -6.368 3.977 3.818 1.00 0.00 H new ATOM 0 HB2 MET A 81 -7.342 2.684 1.233 1.00 0.00 H new ATOM 0 HB3 MET A 81 -6.712 4.319 1.263 1.00 0.00 H new ATOM 0 HG2 MET A 81 -5.030 2.300 2.699 1.00 0.00 H new ATOM 0 HG3 MET A 81 -5.140 2.065 0.966 1.00 0.00 H new ATOM 0 HE1 MET A 81 -3.601 5.007 -0.701 1.00 0.00 H new ATOM 0 HE2 MET A 81 -3.440 3.236 -0.631 1.00 0.00 H new ATOM 0 HE3 MET A 81 -5.055 3.981 -0.685 1.00 0.00 H new ATOM 1176 N LYS A 82 -9.561 3.793 3.125 1.00 0.00 N ATOM 1177 CA LYS A 82 -10.831 4.575 3.141 1.00 0.00 C ATOM 1178 C LYS A 82 -11.283 4.828 4.586 1.00 0.00 C ATOM 1179 O LYS A 82 -12.087 5.706 4.840 1.00 0.00 O ATOM 1180 CB LYS A 82 -11.912 3.784 2.401 1.00 0.00 C ATOM 1181 CG LYS A 82 -11.434 3.467 0.982 1.00 0.00 C ATOM 1182 CD LYS A 82 -11.429 4.749 0.145 1.00 0.00 C ATOM 1183 CE LYS A 82 -12.866 5.228 -0.064 1.00 0.00 C ATOM 1184 NZ LYS A 82 -12.921 6.133 -1.246 1.00 0.00 N ATOM 0 H LYS A 82 -9.678 2.786 3.009 1.00 0.00 H new ATOM 0 HA LYS A 82 -10.667 5.535 2.651 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -12.132 2.860 2.936 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -12.837 4.359 2.364 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -10.433 3.036 1.012 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -12.087 2.724 0.524 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -10.846 5.521 0.647 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -10.952 4.565 -0.818 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -13.527 4.374 -0.215 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -13.219 5.751 0.825 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -13.913 6.351 -1.471 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -12.413 7.015 -1.032 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -12.476 5.666 -2.062 1.00 0.00 H new ATOM 1198 N SER A 83 -10.780 4.070 5.532 1.00 0.00 N ATOM 1199 CA SER A 83 -11.189 4.270 6.954 1.00 0.00 C ATOM 1200 C SER A 83 -10.518 5.526 7.513 1.00 0.00 C ATOM 1201 O SER A 83 -11.173 6.402 8.048 1.00 0.00 O ATOM 1202 CB SER A 83 -10.764 3.055 7.781 1.00 0.00 C ATOM 1203 OG SER A 83 -9.361 2.868 7.656 1.00 0.00 O ATOM 0 H SER A 83 -10.104 3.322 5.378 1.00 0.00 H new ATOM 0 HA SER A 83 -12.272 4.387 7.005 1.00 0.00 H new ATOM 0 HB2 SER A 83 -11.031 3.202 8.828 1.00 0.00 H new ATOM 0 HB3 SER A 83 -11.293 2.165 7.439 1.00 0.00 H new ATOM 0 HG SER A 83 -9.080 3.099 6.746 1.00 0.00 H new ATOM 1209 N GLU A 84 -9.218 5.620 7.395 1.00 0.00 N ATOM 1210 CA GLU A 84 -8.496 6.815 7.921 1.00 0.00 C ATOM 1211 C GLU A 84 -8.489 7.923 6.863 1.00 0.00 C ATOM 1212 O GLU A 84 -8.420 9.095 7.182 1.00 0.00 O ATOM 1213 CB GLU A 84 -7.055 6.430 8.263 1.00 0.00 C ATOM 1214 CG GLU A 84 -6.990 5.924 9.705 1.00 0.00 C ATOM 1215 CD GLU A 84 -5.555 6.038 10.222 1.00 0.00 C ATOM 1216 OE1 GLU A 84 -4.959 7.086 10.030 1.00 0.00 O ATOM 1217 OE2 GLU A 84 -5.075 5.077 10.800 1.00 0.00 O ATOM 0 H GLU A 84 -8.624 4.917 6.955 1.00 0.00 H new ATOM 0 HA GLU A 84 -9.001 7.175 8.817 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -6.702 5.658 7.579 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -6.398 7.291 8.139 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -7.662 6.505 10.336 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -7.324 4.888 9.753 1.00 0.00 H new ATOM 1224 N GLY A 85 -8.554 7.559 5.606 1.00 0.00 N ATOM 1225 CA GLY A 85 -8.545 8.587 4.523 1.00 0.00 C ATOM 1226 C GLY A 85 -7.098 8.900 4.141 1.00 0.00 C ATOM 1227 O GLY A 85 -6.702 10.047 4.060 1.00 0.00 O ATOM 0 H GLY A 85 -8.613 6.593 5.284 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -9.093 8.222 3.654 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -9.049 9.493 4.860 1.00 0.00 H new ATOM 1231 N LEU A 86 -6.308 7.883 3.913 1.00 0.00 N ATOM 1232 CA LEU A 86 -4.882 8.103 3.541 1.00 0.00 C ATOM 1233 C LEU A 86 -4.783 8.409 2.046 1.00 0.00 C ATOM 1234 O LEU A 86 -4.391 9.492 1.651 1.00 0.00 O ATOM 1235 CB LEU A 86 -4.078 6.844 3.859 1.00 0.00 C ATOM 1236 CG LEU A 86 -4.036 6.642 5.373 1.00 0.00 C ATOM 1237 CD1 LEU A 86 -3.981 5.149 5.683 1.00 0.00 C ATOM 1238 CD2 LEU A 86 -2.793 7.329 5.945 1.00 0.00 C ATOM 0 H LEU A 86 -6.593 6.905 3.969 1.00 0.00 H new ATOM 0 HA LEU A 86 -4.483 8.944 4.108 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -4.531 5.978 3.377 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -3.066 6.935 3.464 1.00 0.00 H new ATOM 0 HG LEU A 86 -4.929 7.075 5.824 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -3.951 5.002 6.763 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -4.865 4.660 5.275 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -3.087 4.717 5.233 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -2.762 7.185 7.025 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -1.899 6.896 5.496 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -2.831 8.395 5.722 1.00 0.00 H new ATOM 1250 N GLY A 87 -5.137 7.463 1.214 1.00 0.00 N ATOM 1251 CA GLY A 87 -5.069 7.689 -0.261 1.00 0.00 C ATOM 1252 C GLY A 87 -6.271 7.028 -0.935 1.00 0.00 C ATOM 1253 O GLY A 87 -6.695 5.954 -0.551 1.00 0.00 O ATOM 0 H GLY A 87 -5.471 6.541 1.494 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -5.061 8.758 -0.476 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -4.143 7.276 -0.660 1.00 0.00 H new ATOM 1257 N GLU A 88 -6.823 7.663 -1.938 1.00 0.00 N ATOM 1258 CA GLU A 88 -7.999 7.080 -2.644 1.00 0.00 C ATOM 1259 C GLU A 88 -7.953 7.471 -4.123 1.00 0.00 C ATOM 1260 O GLU A 88 -8.379 6.673 -4.941 1.00 0.00 O ATOM 1261 CB GLU A 88 -9.290 7.611 -2.015 1.00 0.00 C ATOM 1262 CG GLU A 88 -9.247 9.141 -1.959 1.00 0.00 C ATOM 1263 CD GLU A 88 -10.671 9.686 -1.833 1.00 0.00 C ATOM 1264 OE1 GLU A 88 -11.413 9.168 -1.015 1.00 0.00 O ATOM 1265 OE2 GLU A 88 -10.995 10.614 -2.557 1.00 0.00 O ATOM 1266 OXT GLU A 88 -7.492 8.563 -4.412 1.00 0.00 O ATOM 0 H GLU A 88 -6.507 8.563 -2.298 1.00 0.00 H new ATOM 0 HA GLU A 88 -7.973 5.994 -2.555 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -10.151 7.283 -2.597 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -9.411 7.204 -1.011 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -8.645 9.468 -1.111 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -8.773 9.535 -2.858 1.00 0.00 H new TER 1273 GLU A 88