USER MOD reduce.3.24.130724 H: found=0, std=0, add=634, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 634 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 38 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Set 1.2: A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 4 LYS NZ :NH3+ 174:sc= -1.25 (180deg=-1.34) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 LYS NZ :NH3+ 169:sc= -0.391 (180deg=-0.585) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 180:sc= -0.293 USER MOD Single : A 15 HIS :FLIP no HD1:sc= -4.19! C(o=-5.4!,f=-4.2!) USER MOD Single : A 20 THR OG1 : rot 63:sc= 1.02 USER MOD Single : A 24 GLN : amide:sc= -0.701 X(o=-0.7,f=-0.92!) USER MOD Single : A 25 THR OG1 : rot 170:sc= 0 USER MOD Single : A 27 SER OG : rot 85:sc= 1.22 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 TYR OH : rot 180:sc= -0.931 USER MOD Single : A 34 ASN : amide:sc= -0.149 X(o=-0.15,f=0) USER MOD Single : A 37 TYR OH : rot 180:sc= -0.0156 USER MOD Single : A 41 THR OG1 : rot -71:sc= 1.23 USER MOD Single : A 43 ASN : amide:sc= -1.16 X(o=-1.2,f=-0.75) USER MOD Single : A 45 LYS NZ :NH3+ 153:sc= -0.0921 (180deg=-0.518) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 48 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 52 SER OG : rot -87:sc= 0.982 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 34:sc= 0.108 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) USER MOD Single : A 75 ASN : amide:sc= -6.39 K(o=-6.4,f=-21!) USER MOD Single : A 80 THR OG1 : rot 87:sc= 0.604 USER MOD Single : A 81 MET CE :methyl 135:sc= -3.87 (180deg=-14.3!) USER MOD Single : A 82 LYS NZ :NH3+ -152:sc= 0.00139 (180deg=0) USER MOD Single : A 83 SER OG : rot 24:sc= -2.35 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 2 10.767 -1.758 9.801 1.00 0.00 N ATOM 2 CA ALA A 2 10.611 -1.279 8.392 1.00 0.00 C ATOM 3 C ALA A 2 9.124 -1.128 8.052 1.00 0.00 C ATOM 4 O ALA A 2 8.449 -2.092 7.746 1.00 0.00 O ATOM 5 CB ALA A 2 11.254 -2.287 7.436 1.00 0.00 C ATOM 0 HA ALA A 2 11.101 -0.311 8.287 1.00 0.00 H new ATOM 0 HB1 ALA A 2 11.141 -1.938 6.409 1.00 0.00 H new ATOM 0 HB2 ALA A 2 12.314 -2.386 7.671 1.00 0.00 H new ATOM 0 HB3 ALA A 2 10.766 -3.255 7.546 1.00 0.00 H new ATOM 11 N GLN A 3 8.612 0.077 8.107 1.00 0.00 N ATOM 12 CA GLN A 3 7.169 0.300 7.789 1.00 0.00 C ATOM 13 C GLN A 3 6.853 1.795 7.876 1.00 0.00 C ATOM 14 O GLN A 3 7.476 2.529 8.620 1.00 0.00 O ATOM 15 CB GLN A 3 6.297 -0.464 8.789 1.00 0.00 C ATOM 16 CG GLN A 3 6.723 -0.116 10.217 1.00 0.00 C ATOM 17 CD GLN A 3 5.911 -0.950 11.211 1.00 0.00 C ATOM 18 OE1 GLN A 3 5.043 -0.435 11.887 1.00 0.00 O ATOM 19 NE2 GLN A 3 6.158 -2.225 11.328 1.00 0.00 N ATOM 0 H GLN A 3 9.133 0.917 8.359 1.00 0.00 H new ATOM 0 HA GLN A 3 6.962 -0.059 6.781 1.00 0.00 H new ATOM 0 HB2 GLN A 3 5.248 -0.209 8.640 1.00 0.00 H new ATOM 0 HB3 GLN A 3 6.391 -1.537 8.623 1.00 0.00 H new ATOM 0 HG2 GLN A 3 7.788 -0.310 10.348 1.00 0.00 H new ATOM 0 HG3 GLN A 3 6.568 0.946 10.405 1.00 0.00 H new ATOM 0 HE21 GLN A 3 6.887 -2.657 10.760 1.00 0.00 H new ATOM 0 HE22 GLN A 3 5.622 -2.790 11.987 1.00 0.00 H new ATOM 28 N LYS A 4 5.887 2.246 7.119 1.00 0.00 N ATOM 29 CA LYS A 4 5.516 3.692 7.145 1.00 0.00 C ATOM 30 C LYS A 4 3.991 3.826 7.132 1.00 0.00 C ATOM 31 O LYS A 4 3.279 2.852 6.979 1.00 0.00 O ATOM 32 CB LYS A 4 6.102 4.392 5.914 1.00 0.00 C ATOM 33 CG LYS A 4 6.291 5.890 6.201 1.00 0.00 C ATOM 34 CD LYS A 4 5.374 6.716 5.292 1.00 0.00 C ATOM 35 CE LYS A 4 5.789 8.189 5.342 1.00 0.00 C ATOM 36 NZ LYS A 4 6.629 8.507 4.153 1.00 0.00 N ATOM 0 H LYS A 4 5.336 1.672 6.481 1.00 0.00 H new ATOM 0 HA LYS A 4 5.914 4.154 8.048 1.00 0.00 H new ATOM 0 HB2 LYS A 4 7.058 3.941 5.650 1.00 0.00 H new ATOM 0 HB3 LYS A 4 5.439 4.258 5.059 1.00 0.00 H new ATOM 0 HG2 LYS A 4 6.066 6.100 7.247 1.00 0.00 H new ATOM 0 HG3 LYS A 4 7.331 6.172 6.036 1.00 0.00 H new ATOM 0 HD2 LYS A 4 5.432 6.346 4.268 1.00 0.00 H new ATOM 0 HD3 LYS A 4 4.337 6.609 5.611 1.00 0.00 H new ATOM 0 HE2 LYS A 4 4.905 8.827 5.358 1.00 0.00 H new ATOM 0 HE3 LYS A 4 6.344 8.391 6.258 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 6.827 9.528 4.131 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 7.525 7.982 4.210 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 6.122 8.234 3.287 1.00 0.00 H new ATOM 50 N THR A 5 3.489 5.024 7.294 1.00 0.00 N ATOM 51 CA THR A 5 2.009 5.227 7.292 1.00 0.00 C ATOM 52 C THR A 5 1.629 6.222 6.193 1.00 0.00 C ATOM 53 O THR A 5 2.145 7.324 6.137 1.00 0.00 O ATOM 54 CB THR A 5 1.568 5.773 8.652 1.00 0.00 C ATOM 55 OG1 THR A 5 2.034 4.911 9.681 1.00 0.00 O ATOM 56 CG2 THR A 5 0.041 5.852 8.705 1.00 0.00 C ATOM 0 H THR A 5 4.041 5.871 7.428 1.00 0.00 H new ATOM 0 HA THR A 5 1.512 4.275 7.104 1.00 0.00 H new ATOM 0 HB THR A 5 1.986 6.770 8.794 1.00 0.00 H new ATOM 0 HG1 THR A 5 1.754 5.261 10.553 1.00 0.00 H new ATOM 0 HG21 THR A 5 -0.270 6.241 9.675 1.00 0.00 H new ATOM 0 HG22 THR A 5 -0.317 6.514 7.917 1.00 0.00 H new ATOM 0 HG23 THR A 5 -0.380 4.857 8.562 1.00 0.00 H new ATOM 64 N PHE A 6 0.728 5.842 5.324 1.00 0.00 N ATOM 65 CA PHE A 6 0.302 6.759 4.226 1.00 0.00 C ATOM 66 C PHE A 6 -1.157 7.163 4.440 1.00 0.00 C ATOM 67 O PHE A 6 -2.026 6.325 4.585 1.00 0.00 O ATOM 68 CB PHE A 6 0.442 6.044 2.881 1.00 0.00 C ATOM 69 CG PHE A 6 1.905 5.852 2.560 1.00 0.00 C ATOM 70 CD1 PHE A 6 2.636 6.894 1.976 1.00 0.00 C ATOM 71 CD2 PHE A 6 2.532 4.634 2.849 1.00 0.00 C ATOM 72 CE1 PHE A 6 3.994 6.717 1.681 1.00 0.00 C ATOM 73 CE2 PHE A 6 3.889 4.457 2.553 1.00 0.00 C ATOM 74 CZ PHE A 6 4.620 5.499 1.968 1.00 0.00 C ATOM 0 H PHE A 6 0.267 4.932 5.328 1.00 0.00 H new ATOM 0 HA PHE A 6 0.931 7.649 4.230 1.00 0.00 H new ATOM 0 HB2 PHE A 6 -0.063 5.079 2.917 1.00 0.00 H new ATOM 0 HB3 PHE A 6 -0.040 6.627 2.096 1.00 0.00 H new ATOM 0 HD1 PHE A 6 2.153 7.834 1.753 1.00 0.00 H new ATOM 0 HD2 PHE A 6 1.969 3.831 3.300 1.00 0.00 H new ATOM 0 HE1 PHE A 6 4.558 7.521 1.232 1.00 0.00 H new ATOM 0 HE2 PHE A 6 4.372 3.517 2.776 1.00 0.00 H new ATOM 0 HZ PHE A 6 5.666 5.362 1.739 1.00 0.00 H new ATOM 84 N LYS A 7 -1.431 8.443 4.464 1.00 0.00 N ATOM 85 CA LYS A 7 -2.832 8.910 4.672 1.00 0.00 C ATOM 86 C LYS A 7 -3.487 9.189 3.318 1.00 0.00 C ATOM 87 O LYS A 7 -3.186 10.171 2.664 1.00 0.00 O ATOM 88 CB LYS A 7 -2.825 10.191 5.511 1.00 0.00 C ATOM 89 CG LYS A 7 -4.057 10.218 6.425 1.00 0.00 C ATOM 90 CD LYS A 7 -5.136 11.122 5.817 1.00 0.00 C ATOM 91 CE LYS A 7 -5.086 12.502 6.479 1.00 0.00 C ATOM 92 NZ LYS A 7 -3.697 13.039 6.410 1.00 0.00 N ATOM 0 H LYS A 7 -0.741 9.186 4.348 1.00 0.00 H new ATOM 0 HA LYS A 7 -3.397 8.137 5.194 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -1.915 10.240 6.109 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -2.825 11.064 4.859 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -4.447 9.208 6.555 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -3.779 10.582 7.414 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -4.981 11.218 4.742 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -6.120 10.676 5.958 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -5.775 13.182 5.978 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -5.408 12.430 7.518 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -3.698 14.041 6.687 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -3.085 12.502 7.057 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -3.338 12.949 5.438 1.00 0.00 H new ATOM 106 N VAL A 8 -4.382 8.332 2.897 1.00 0.00 N ATOM 107 CA VAL A 8 -5.068 8.538 1.589 1.00 0.00 C ATOM 108 C VAL A 8 -6.122 9.637 1.743 1.00 0.00 C ATOM 109 O VAL A 8 -7.016 9.536 2.561 1.00 0.00 O ATOM 110 CB VAL A 8 -5.747 7.234 1.162 1.00 0.00 C ATOM 111 CG1 VAL A 8 -6.347 7.398 -0.235 1.00 0.00 C ATOM 112 CG2 VAL A 8 -4.714 6.105 1.141 1.00 0.00 C ATOM 0 H VAL A 8 -4.667 7.495 3.406 1.00 0.00 H new ATOM 0 HA VAL A 8 -4.340 8.832 0.833 1.00 0.00 H new ATOM 0 HB VAL A 8 -6.540 6.992 1.870 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -6.829 6.468 -0.535 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -7.084 8.201 -0.223 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -5.556 7.642 -0.944 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -5.196 5.176 0.837 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -3.921 6.350 0.434 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -4.288 5.983 2.137 1.00 0.00 H new ATOM 122 N THR A 9 -6.020 10.687 0.966 1.00 0.00 N ATOM 123 CA THR A 9 -7.015 11.796 1.068 1.00 0.00 C ATOM 124 C THR A 9 -7.700 12.021 -0.287 1.00 0.00 C ATOM 125 O THR A 9 -8.308 13.052 -0.511 1.00 0.00 O ATOM 126 CB THR A 9 -6.301 13.081 1.493 1.00 0.00 C ATOM 127 OG1 THR A 9 -5.363 12.781 2.518 1.00 0.00 O ATOM 128 CG2 THR A 9 -7.326 14.087 2.015 1.00 0.00 C ATOM 0 H THR A 9 -5.291 10.823 0.266 1.00 0.00 H new ATOM 0 HA THR A 9 -7.769 11.528 1.808 1.00 0.00 H new ATOM 0 HB THR A 9 -5.780 13.509 0.637 1.00 0.00 H new ATOM 0 HG1 THR A 9 -4.903 13.602 2.791 1.00 0.00 H new ATOM 0 HG21 THR A 9 -6.816 15.002 2.317 1.00 0.00 H new ATOM 0 HG22 THR A 9 -8.045 14.315 1.228 1.00 0.00 H new ATOM 0 HG23 THR A 9 -7.849 13.662 2.872 1.00 0.00 H new ATOM 136 N ALA A 10 -7.616 11.071 -1.188 1.00 0.00 N ATOM 137 CA ALA A 10 -8.268 11.236 -2.519 1.00 0.00 C ATOM 138 C ALA A 10 -9.770 10.982 -2.382 1.00 0.00 C ATOM 139 O ALA A 10 -10.190 10.082 -1.683 1.00 0.00 O ATOM 140 CB ALA A 10 -7.669 10.235 -3.508 1.00 0.00 C ATOM 0 H ALA A 10 -7.122 10.188 -1.055 1.00 0.00 H new ATOM 0 HA ALA A 10 -8.101 12.249 -2.884 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -8.145 10.355 -4.481 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -6.598 10.414 -3.604 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -7.836 9.221 -3.145 1.00 0.00 H new ATOM 146 N ASP A 11 -10.576 11.771 -3.046 1.00 0.00 N ATOM 147 CA ASP A 11 -12.057 11.590 -2.970 1.00 0.00 C ATOM 148 C ASP A 11 -12.456 10.319 -3.722 1.00 0.00 C ATOM 149 O ASP A 11 -12.796 10.356 -4.889 1.00 0.00 O ATOM 150 CB ASP A 11 -12.759 12.802 -3.600 1.00 0.00 C ATOM 151 CG ASP A 11 -12.244 13.046 -5.028 1.00 0.00 C ATOM 152 OD1 ASP A 11 -11.384 12.302 -5.477 1.00 0.00 O ATOM 153 OD2 ASP A 11 -12.723 13.978 -5.651 1.00 0.00 O ATOM 0 H ASP A 11 -10.268 12.539 -3.642 1.00 0.00 H new ATOM 0 HA ASP A 11 -12.357 11.503 -1.926 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -13.836 12.635 -3.620 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -12.585 13.688 -2.989 1.00 0.00 H new ATOM 158 N SER A 12 -12.416 9.192 -3.058 1.00 0.00 N ATOM 159 CA SER A 12 -12.786 7.896 -3.709 1.00 0.00 C ATOM 160 C SER A 12 -12.397 6.755 -2.772 1.00 0.00 C ATOM 161 O SER A 12 -13.068 5.742 -2.698 1.00 0.00 O ATOM 162 CB SER A 12 -12.035 7.729 -5.038 1.00 0.00 C ATOM 163 OG SER A 12 -10.774 8.377 -4.948 1.00 0.00 O ATOM 0 H SER A 12 -12.139 9.113 -2.079 1.00 0.00 H new ATOM 0 HA SER A 12 -13.858 7.885 -3.907 1.00 0.00 H new ATOM 0 HB2 SER A 12 -11.898 6.671 -5.261 1.00 0.00 H new ATOM 0 HB3 SER A 12 -12.618 8.154 -5.855 1.00 0.00 H new ATOM 0 HG SER A 12 -10.291 8.271 -5.794 1.00 0.00 H new ATOM 169 N GLY A 13 -11.311 6.915 -2.057 1.00 0.00 N ATOM 170 CA GLY A 13 -10.862 5.850 -1.120 1.00 0.00 C ATOM 171 C GLY A 13 -9.806 4.985 -1.805 1.00 0.00 C ATOM 172 O GLY A 13 -8.778 5.473 -2.236 1.00 0.00 O ATOM 0 H GLY A 13 -10.716 7.743 -2.085 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -10.451 6.296 -0.214 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -11.710 5.236 -0.816 1.00 0.00 H new ATOM 176 N ILE A 14 -10.053 3.704 -1.906 1.00 0.00 N ATOM 177 CA ILE A 14 -9.066 2.797 -2.560 1.00 0.00 C ATOM 178 C ILE A 14 -9.802 1.804 -3.462 1.00 0.00 C ATOM 179 O ILE A 14 -10.731 1.139 -3.043 1.00 0.00 O ATOM 180 CB ILE A 14 -8.287 2.049 -1.476 1.00 0.00 C ATOM 181 CG1 ILE A 14 -7.623 3.074 -0.538 1.00 0.00 C ATOM 182 CG2 ILE A 14 -7.221 1.152 -2.120 1.00 0.00 C ATOM 183 CD1 ILE A 14 -6.590 3.917 -1.300 1.00 0.00 C ATOM 0 H ILE A 14 -10.898 3.247 -1.563 1.00 0.00 H new ATOM 0 HA ILE A 14 -8.373 3.376 -3.170 1.00 0.00 H new ATOM 0 HB ILE A 14 -8.968 1.420 -0.903 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -8.383 3.725 -0.106 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -7.138 2.556 0.290 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -6.671 0.623 -1.341 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -7.703 0.429 -2.778 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -6.530 1.766 -2.699 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -6.133 4.635 -0.619 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -5.819 3.264 -1.711 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -7.084 4.451 -2.112 1.00 0.00 H new ATOM 195 N HIS A 15 -9.390 1.706 -4.699 1.00 0.00 N ATOM 196 CA HIS A 15 -10.053 0.763 -5.650 1.00 0.00 C ATOM 197 C HIS A 15 -8.979 -0.061 -6.378 1.00 0.00 C ATOM 198 O HIS A 15 -7.823 -0.049 -6.002 1.00 0.00 O ATOM 199 CB HIS A 15 -10.933 1.537 -6.662 1.00 0.00 C ATOM 200 CG HIS A 15 -10.303 2.851 -7.062 1.00 0.00 C ATOM 201 ND1 HIS A 15 -9.897 3.942 -6.332 1.00 0.00 N flip ATOM 202 CD2 HIS A 15 -10.050 3.169 -8.385 1.00 0.00 C flip ATOM 203 CE1 HIS A 15 -9.402 4.921 -7.188 1.00 0.00 C flip ATOM 204 NE2 HIS A 15 -9.516 4.403 -8.413 1.00 0.00 N flip ATOM 0 H HIS A 15 -8.618 2.242 -5.094 1.00 0.00 H new ATOM 0 HA HIS A 15 -10.704 0.089 -5.094 1.00 0.00 H new ATOM 0 HB2 HIS A 15 -11.091 0.924 -7.550 1.00 0.00 H new ATOM 0 HB3 HIS A 15 -11.914 1.722 -6.224 1.00 0.00 H new ATOM 0 HD2 HIS A 15 -10.246 2.540 -9.241 1.00 0.00 H new ATOM 0 HE1 HIS A 15 -9.010 5.891 -6.919 1.00 0.00 H new ATOM 0 HE2 HIS A 15 -9.233 4.884 -9.266 1.00 0.00 H new ATOM 212 N ALA A 16 -9.359 -0.802 -7.391 1.00 0.00 N ATOM 213 CA ALA A 16 -8.371 -1.657 -8.121 1.00 0.00 C ATOM 214 C ALA A 16 -7.369 -0.809 -8.917 1.00 0.00 C ATOM 215 O ALA A 16 -6.312 -1.289 -9.282 1.00 0.00 O ATOM 216 CB ALA A 16 -9.122 -2.578 -9.085 1.00 0.00 C ATOM 0 H ALA A 16 -10.314 -0.851 -7.745 1.00 0.00 H new ATOM 0 HA ALA A 16 -7.816 -2.238 -7.385 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -8.408 -3.204 -9.620 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -9.809 -3.210 -8.523 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -9.684 -1.976 -9.799 1.00 0.00 H new ATOM 222 N ARG A 17 -7.685 0.430 -9.206 1.00 0.00 N ATOM 223 CA ARG A 17 -6.734 1.277 -9.996 1.00 0.00 C ATOM 224 C ARG A 17 -5.446 1.521 -9.181 1.00 0.00 C ATOM 225 O ARG A 17 -4.375 1.157 -9.628 1.00 0.00 O ATOM 226 CB ARG A 17 -7.398 2.615 -10.356 1.00 0.00 C ATOM 227 CG ARG A 17 -7.533 2.740 -11.878 1.00 0.00 C ATOM 228 CD ARG A 17 -8.822 3.493 -12.226 1.00 0.00 C ATOM 229 NE ARG A 17 -8.486 4.869 -12.685 1.00 0.00 N ATOM 230 CZ ARG A 17 -8.825 5.901 -11.961 1.00 0.00 C ATOM 231 NH1 ARG A 17 -10.060 6.322 -11.964 1.00 0.00 N ATOM 232 NH2 ARG A 17 -7.929 6.513 -11.236 1.00 0.00 N ATOM 0 H ARG A 17 -8.553 0.890 -8.932 1.00 0.00 H new ATOM 0 HA ARG A 17 -6.473 0.756 -10.917 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -8.381 2.680 -9.889 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -6.804 3.442 -9.966 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -6.671 3.268 -12.286 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -7.545 1.750 -12.334 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -9.367 2.961 -13.006 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -9.476 3.538 -11.355 1.00 0.00 H new ATOM 0 HE ARG A 17 -7.990 5.005 -13.566 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -10.760 5.845 -12.532 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -10.325 7.128 -11.398 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -6.963 6.185 -11.235 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -8.195 7.319 -10.671 1.00 0.00 H new ATOM 246 N PRO A 18 -5.564 2.120 -8.006 1.00 0.00 N ATOM 247 CA PRO A 18 -4.385 2.388 -7.157 1.00 0.00 C ATOM 248 C PRO A 18 -3.872 1.091 -6.518 1.00 0.00 C ATOM 249 O PRO A 18 -2.730 1.007 -6.108 1.00 0.00 O ATOM 250 CB PRO A 18 -4.905 3.356 -6.095 1.00 0.00 C ATOM 251 CG PRO A 18 -6.435 3.159 -6.042 1.00 0.00 C ATOM 252 CD PRO A 18 -6.845 2.577 -7.408 1.00 0.00 C ATOM 0 HA PRO A 18 -3.545 2.799 -7.718 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -4.452 3.149 -5.125 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -4.654 4.385 -6.351 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -6.712 2.483 -5.233 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -6.942 4.105 -5.855 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -7.549 1.752 -7.295 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -7.331 3.328 -8.032 1.00 0.00 H new ATOM 260 N ALA A 19 -4.704 0.081 -6.433 1.00 0.00 N ATOM 261 CA ALA A 19 -4.263 -1.210 -5.826 1.00 0.00 C ATOM 262 C ALA A 19 -3.377 -1.963 -6.820 1.00 0.00 C ATOM 263 O ALA A 19 -2.517 -2.734 -6.435 1.00 0.00 O ATOM 264 CB ALA A 19 -5.489 -2.062 -5.487 1.00 0.00 C ATOM 0 H ALA A 19 -5.670 0.097 -6.759 1.00 0.00 H new ATOM 0 HA ALA A 19 -3.699 -1.009 -4.915 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -5.166 -3.004 -5.044 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -6.120 -1.525 -4.779 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -6.055 -2.264 -6.397 1.00 0.00 H new ATOM 270 N THR A 20 -3.576 -1.742 -8.096 1.00 0.00 N ATOM 271 CA THR A 20 -2.745 -2.439 -9.120 1.00 0.00 C ATOM 272 C THR A 20 -1.405 -1.713 -9.258 1.00 0.00 C ATOM 273 O THR A 20 -0.389 -2.320 -9.537 1.00 0.00 O ATOM 274 CB THR A 20 -3.475 -2.430 -10.465 1.00 0.00 C ATOM 275 OG1 THR A 20 -4.776 -2.981 -10.300 1.00 0.00 O ATOM 276 CG2 THR A 20 -2.692 -3.263 -11.480 1.00 0.00 C ATOM 0 H THR A 20 -4.280 -1.107 -8.471 1.00 0.00 H new ATOM 0 HA THR A 20 -2.573 -3.470 -8.812 1.00 0.00 H new ATOM 0 HB THR A 20 -3.556 -1.405 -10.827 1.00 0.00 H new ATOM 0 HG1 THR A 20 -5.292 -2.423 -9.681 1.00 0.00 H new ATOM 0 HG21 THR A 20 -3.214 -3.255 -12.437 1.00 0.00 H new ATOM 0 HG22 THR A 20 -1.695 -2.840 -11.607 1.00 0.00 H new ATOM 0 HG23 THR A 20 -2.608 -4.289 -11.121 1.00 0.00 H new ATOM 284 N VAL A 21 -1.400 -0.420 -9.060 1.00 0.00 N ATOM 285 CA VAL A 21 -0.129 0.355 -9.173 1.00 0.00 C ATOM 286 C VAL A 21 0.717 0.132 -7.916 1.00 0.00 C ATOM 287 O VAL A 21 1.934 0.145 -7.966 1.00 0.00 O ATOM 288 CB VAL A 21 -0.454 1.844 -9.311 1.00 0.00 C ATOM 289 CG1 VAL A 21 0.835 2.633 -9.549 1.00 0.00 C ATOM 290 CG2 VAL A 21 -1.400 2.050 -10.495 1.00 0.00 C ATOM 0 H VAL A 21 -2.224 0.134 -8.824 1.00 0.00 H new ATOM 0 HA VAL A 21 0.427 0.020 -10.049 1.00 0.00 H new ATOM 0 HB VAL A 21 -0.930 2.196 -8.396 1.00 0.00 H new ATOM 0 HG11 VAL A 21 0.600 3.693 -9.647 1.00 0.00 H new ATOM 0 HG12 VAL A 21 1.511 2.488 -8.707 1.00 0.00 H new ATOM 0 HG13 VAL A 21 1.313 2.281 -10.463 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -1.633 3.110 -10.595 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -0.922 1.696 -11.408 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -2.320 1.491 -10.327 1.00 0.00 H new ATOM 300 N LEU A 22 0.080 -0.070 -6.791 1.00 0.00 N ATOM 301 CA LEU A 22 0.836 -0.292 -5.523 1.00 0.00 C ATOM 302 C LEU A 22 1.384 -1.721 -5.494 1.00 0.00 C ATOM 303 O LEU A 22 2.504 -1.953 -5.083 1.00 0.00 O ATOM 304 CB LEU A 22 -0.095 -0.078 -4.328 1.00 0.00 C ATOM 305 CG LEU A 22 -0.501 1.395 -4.251 1.00 0.00 C ATOM 306 CD1 LEU A 22 -1.782 1.529 -3.427 1.00 0.00 C ATOM 307 CD2 LEU A 22 0.620 2.197 -3.584 1.00 0.00 C ATOM 0 H LEU A 22 -0.935 -0.091 -6.696 1.00 0.00 H new ATOM 0 HA LEU A 22 1.665 0.414 -5.469 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -0.981 -0.705 -4.428 1.00 0.00 H new ATOM 0 HB3 LEU A 22 0.405 -0.377 -3.407 1.00 0.00 H new ATOM 0 HG LEU A 22 -0.675 1.777 -5.257 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -2.071 2.578 -3.372 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -2.580 0.957 -3.900 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -1.609 1.147 -2.421 1.00 0.00 H new ATOM 0 HD21 LEU A 22 0.333 3.247 -3.528 1.00 0.00 H new ATOM 0 HD22 LEU A 22 0.793 1.814 -2.578 1.00 0.00 H new ATOM 0 HD23 LEU A 22 1.534 2.102 -4.170 1.00 0.00 H new ATOM 319 N VAL A 23 0.600 -2.675 -5.925 1.00 0.00 N ATOM 320 CA VAL A 23 1.067 -4.095 -5.923 1.00 0.00 C ATOM 321 C VAL A 23 2.240 -4.252 -6.902 1.00 0.00 C ATOM 322 O VAL A 23 3.094 -5.099 -6.726 1.00 0.00 O ATOM 323 CB VAL A 23 -0.094 -5.014 -6.336 1.00 0.00 C ATOM 324 CG1 VAL A 23 -0.551 -4.681 -7.760 1.00 0.00 C ATOM 325 CG2 VAL A 23 0.359 -6.476 -6.274 1.00 0.00 C ATOM 0 H VAL A 23 -0.346 -2.532 -6.279 1.00 0.00 H new ATOM 0 HA VAL A 23 1.402 -4.370 -4.923 1.00 0.00 H new ATOM 0 HB VAL A 23 -0.927 -4.860 -5.650 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -1.374 -5.338 -8.041 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -0.885 -3.644 -7.802 1.00 0.00 H new ATOM 0 HG13 VAL A 23 0.280 -4.823 -8.451 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -0.466 -7.125 -6.567 1.00 0.00 H new ATOM 0 HG22 VAL A 23 1.198 -6.626 -6.953 1.00 0.00 H new ATOM 0 HG23 VAL A 23 0.668 -6.718 -5.257 1.00 0.00 H new ATOM 335 N GLN A 24 2.274 -3.446 -7.932 1.00 0.00 N ATOM 336 CA GLN A 24 3.378 -3.545 -8.934 1.00 0.00 C ATOM 337 C GLN A 24 4.696 -3.085 -8.306 1.00 0.00 C ATOM 338 O GLN A 24 5.705 -3.759 -8.404 1.00 0.00 O ATOM 339 CB GLN A 24 3.052 -2.655 -10.136 1.00 0.00 C ATOM 340 CG GLN A 24 2.124 -3.407 -11.092 1.00 0.00 C ATOM 341 CD GLN A 24 1.542 -2.428 -12.114 1.00 0.00 C ATOM 342 OE1 GLN A 24 0.722 -1.597 -11.778 1.00 0.00 O ATOM 343 NE2 GLN A 24 1.936 -2.491 -13.357 1.00 0.00 N ATOM 0 H GLN A 24 1.582 -2.721 -8.123 1.00 0.00 H new ATOM 0 HA GLN A 24 3.477 -4.581 -9.257 1.00 0.00 H new ATOM 0 HB2 GLN A 24 2.577 -1.733 -9.801 1.00 0.00 H new ATOM 0 HB3 GLN A 24 3.970 -2.371 -10.651 1.00 0.00 H new ATOM 0 HG2 GLN A 24 2.674 -4.198 -11.602 1.00 0.00 H new ATOM 0 HG3 GLN A 24 1.320 -3.887 -10.533 1.00 0.00 H new ATOM 0 HE21 GLN A 24 2.625 -3.189 -13.639 1.00 0.00 H new ATOM 0 HE22 GLN A 24 1.555 -1.842 -14.046 1.00 0.00 H new ATOM 352 N THR A 25 4.697 -1.940 -7.671 1.00 0.00 N ATOM 353 CA THR A 25 5.953 -1.425 -7.044 1.00 0.00 C ATOM 354 C THR A 25 6.442 -2.403 -5.970 1.00 0.00 C ATOM 355 O THR A 25 7.623 -2.676 -5.863 1.00 0.00 O ATOM 356 CB THR A 25 5.677 -0.064 -6.403 1.00 0.00 C ATOM 357 OG1 THR A 25 4.972 0.757 -7.325 1.00 0.00 O ATOM 358 CG2 THR A 25 7.000 0.604 -6.028 1.00 0.00 C ATOM 0 H THR A 25 3.881 -1.338 -7.559 1.00 0.00 H new ATOM 0 HA THR A 25 6.721 -1.324 -7.811 1.00 0.00 H new ATOM 0 HB THR A 25 5.076 -0.200 -5.504 1.00 0.00 H new ATOM 0 HG1 THR A 25 4.654 1.563 -6.868 1.00 0.00 H new ATOM 0 HG21 THR A 25 6.801 1.574 -5.571 1.00 0.00 H new ATOM 0 HG22 THR A 25 7.538 -0.027 -5.321 1.00 0.00 H new ATOM 0 HG23 THR A 25 7.605 0.742 -6.924 1.00 0.00 H new ATOM 366 N ALA A 26 5.545 -2.924 -5.175 1.00 0.00 N ATOM 367 CA ALA A 26 5.949 -3.880 -4.100 1.00 0.00 C ATOM 368 C ALA A 26 6.386 -5.212 -4.719 1.00 0.00 C ATOM 369 O ALA A 26 7.150 -5.954 -4.129 1.00 0.00 O ATOM 370 CB ALA A 26 4.764 -4.122 -3.164 1.00 0.00 C ATOM 0 H ALA A 26 4.545 -2.728 -5.224 1.00 0.00 H new ATOM 0 HA ALA A 26 6.782 -3.455 -3.540 1.00 0.00 H new ATOM 0 HB1 ALA A 26 5.057 -4.819 -2.379 1.00 0.00 H new ATOM 0 HB2 ALA A 26 4.457 -3.178 -2.714 1.00 0.00 H new ATOM 0 HB3 ALA A 26 3.933 -4.542 -3.730 1.00 0.00 H new ATOM 376 N SER A 27 5.905 -5.523 -5.897 1.00 0.00 N ATOM 377 CA SER A 27 6.286 -6.809 -6.552 1.00 0.00 C ATOM 378 C SER A 27 7.773 -6.788 -6.916 1.00 0.00 C ATOM 379 O SER A 27 8.411 -7.821 -7.000 1.00 0.00 O ATOM 380 CB SER A 27 5.455 -6.998 -7.822 1.00 0.00 C ATOM 381 OG SER A 27 4.150 -7.437 -7.467 1.00 0.00 O ATOM 0 H SER A 27 5.263 -4.939 -6.433 1.00 0.00 H new ATOM 0 HA SER A 27 6.097 -7.632 -5.863 1.00 0.00 H new ATOM 0 HB2 SER A 27 5.398 -6.061 -8.376 1.00 0.00 H new ATOM 0 HB3 SER A 27 5.931 -7.727 -8.477 1.00 0.00 H new ATOM 0 HG SER A 27 3.591 -6.661 -7.254 1.00 0.00 H new ATOM 387 N LYS A 28 8.331 -5.622 -7.131 1.00 0.00 N ATOM 388 CA LYS A 28 9.778 -5.531 -7.490 1.00 0.00 C ATOM 389 C LYS A 28 10.636 -6.067 -6.340 1.00 0.00 C ATOM 390 O LYS A 28 11.766 -6.470 -6.540 1.00 0.00 O ATOM 391 CB LYS A 28 10.145 -4.070 -7.755 1.00 0.00 C ATOM 392 CG LYS A 28 9.281 -3.522 -8.891 1.00 0.00 C ATOM 393 CD LYS A 28 9.909 -3.890 -10.236 1.00 0.00 C ATOM 394 CE LYS A 28 9.547 -2.829 -11.278 1.00 0.00 C ATOM 395 NZ LYS A 28 9.377 -3.476 -12.610 1.00 0.00 N ATOM 0 H LYS A 28 7.844 -4.728 -7.073 1.00 0.00 H new ATOM 0 HA LYS A 28 9.962 -6.126 -8.384 1.00 0.00 H new ATOM 0 HB2 LYS A 28 9.995 -3.477 -6.852 1.00 0.00 H new ATOM 0 HB3 LYS A 28 11.200 -3.991 -8.017 1.00 0.00 H new ATOM 0 HG2 LYS A 28 8.273 -3.931 -8.825 1.00 0.00 H new ATOM 0 HG3 LYS A 28 9.192 -2.439 -8.804 1.00 0.00 H new ATOM 0 HD2 LYS A 28 10.992 -3.961 -10.136 1.00 0.00 H new ATOM 0 HD3 LYS A 28 9.554 -4.868 -10.559 1.00 0.00 H new ATOM 0 HE2 LYS A 28 8.627 -2.320 -10.989 1.00 0.00 H new ATOM 0 HE3 LYS A 28 10.329 -2.071 -11.327 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 9.131 -2.755 -13.318 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 10.265 -3.942 -12.885 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 8.616 -4.183 -12.558 1.00 0.00 H new ATOM 409 N TYR A 29 10.114 -6.068 -5.136 1.00 0.00 N ATOM 410 CA TYR A 29 10.903 -6.568 -3.973 1.00 0.00 C ATOM 411 C TYR A 29 10.324 -7.898 -3.489 1.00 0.00 C ATOM 412 O TYR A 29 9.122 -8.079 -3.433 1.00 0.00 O ATOM 413 CB TYR A 29 10.846 -5.539 -2.842 1.00 0.00 C ATOM 414 CG TYR A 29 11.317 -4.203 -3.368 1.00 0.00 C ATOM 415 CD1 TYR A 29 10.431 -3.376 -4.069 1.00 0.00 C ATOM 416 CD2 TYR A 29 12.641 -3.797 -3.164 1.00 0.00 C ATOM 417 CE1 TYR A 29 10.869 -2.144 -4.566 1.00 0.00 C ATOM 418 CE2 TYR A 29 13.080 -2.563 -3.661 1.00 0.00 C ATOM 419 CZ TYR A 29 12.193 -1.738 -4.363 1.00 0.00 C ATOM 420 OH TYR A 29 12.626 -0.523 -4.855 1.00 0.00 O ATOM 0 H TYR A 29 9.174 -5.743 -4.912 1.00 0.00 H new ATOM 0 HA TYR A 29 11.939 -6.719 -4.276 1.00 0.00 H new ATOM 0 HB2 TYR A 29 9.829 -5.456 -2.460 1.00 0.00 H new ATOM 0 HB3 TYR A 29 11.474 -5.859 -2.010 1.00 0.00 H new ATOM 0 HD1 TYR A 29 9.409 -3.689 -4.226 1.00 0.00 H new ATOM 0 HD2 TYR A 29 13.324 -4.435 -2.623 1.00 0.00 H new ATOM 0 HE1 TYR A 29 10.185 -1.506 -5.106 1.00 0.00 H new ATOM 0 HE2 TYR A 29 14.101 -2.249 -3.503 1.00 0.00 H new ATOM 0 HH TYR A 29 13.570 -0.395 -4.626 1.00 0.00 H new ATOM 430 N ASP A 30 11.176 -8.827 -3.142 1.00 0.00 N ATOM 431 CA ASP A 30 10.694 -10.154 -2.658 1.00 0.00 C ATOM 432 C ASP A 30 10.275 -10.067 -1.183 1.00 0.00 C ATOM 433 O ASP A 30 9.729 -11.008 -0.639 1.00 0.00 O ATOM 434 CB ASP A 30 11.814 -11.183 -2.808 1.00 0.00 C ATOM 435 CG ASP A 30 12.074 -11.442 -4.293 1.00 0.00 C ATOM 436 OD1 ASP A 30 11.166 -11.910 -4.960 1.00 0.00 O ATOM 437 OD2 ASP A 30 13.176 -11.166 -4.738 1.00 0.00 O ATOM 0 H ASP A 30 12.190 -8.723 -3.173 1.00 0.00 H new ATOM 0 HA ASP A 30 9.830 -10.455 -3.251 1.00 0.00 H new ATOM 0 HB2 ASP A 30 12.722 -10.820 -2.327 1.00 0.00 H new ATOM 0 HB3 ASP A 30 11.538 -12.112 -2.309 1.00 0.00 H new ATOM 442 N ALA A 31 10.522 -8.953 -0.526 1.00 0.00 N ATOM 443 CA ALA A 31 10.132 -8.823 0.912 1.00 0.00 C ATOM 444 C ALA A 31 8.621 -9.028 1.055 1.00 0.00 C ATOM 445 O ALA A 31 7.898 -9.074 0.077 1.00 0.00 O ATOM 446 CB ALA A 31 10.507 -7.429 1.417 1.00 0.00 C ATOM 0 H ALA A 31 10.976 -8.132 -0.926 1.00 0.00 H new ATOM 0 HA ALA A 31 10.657 -9.577 1.499 1.00 0.00 H new ATOM 0 HB1 ALA A 31 10.223 -7.333 2.465 1.00 0.00 H new ATOM 0 HB2 ALA A 31 11.583 -7.283 1.318 1.00 0.00 H new ATOM 0 HB3 ALA A 31 9.983 -6.676 0.829 1.00 0.00 H new ATOM 452 N ASP A 32 8.144 -9.159 2.266 1.00 0.00 N ATOM 453 CA ASP A 32 6.683 -9.370 2.481 1.00 0.00 C ATOM 454 C ASP A 32 5.995 -8.025 2.724 1.00 0.00 C ATOM 455 O ASP A 32 5.998 -7.508 3.825 1.00 0.00 O ATOM 456 CB ASP A 32 6.470 -10.272 3.696 1.00 0.00 C ATOM 457 CG ASP A 32 6.955 -11.687 3.374 1.00 0.00 C ATOM 458 OD1 ASP A 32 8.153 -11.908 3.433 1.00 0.00 O ATOM 459 OD2 ASP A 32 6.120 -12.525 3.076 1.00 0.00 O ATOM 0 H ASP A 32 8.706 -9.129 3.117 1.00 0.00 H new ATOM 0 HA ASP A 32 6.256 -9.840 1.595 1.00 0.00 H new ATOM 0 HB2 ASP A 32 7.013 -9.877 4.555 1.00 0.00 H new ATOM 0 HB3 ASP A 32 5.414 -10.291 3.967 1.00 0.00 H new ATOM 464 N VAL A 33 5.401 -7.462 1.702 1.00 0.00 N ATOM 465 CA VAL A 33 4.702 -6.152 1.865 1.00 0.00 C ATOM 466 C VAL A 33 3.225 -6.401 2.189 1.00 0.00 C ATOM 467 O VAL A 33 2.494 -6.975 1.403 1.00 0.00 O ATOM 468 CB VAL A 33 4.823 -5.342 0.569 1.00 0.00 C ATOM 469 CG1 VAL A 33 6.297 -5.027 0.305 1.00 0.00 C ATOM 470 CG2 VAL A 33 4.247 -6.145 -0.612 1.00 0.00 C ATOM 0 H VAL A 33 5.370 -7.854 0.761 1.00 0.00 H new ATOM 0 HA VAL A 33 5.159 -5.591 2.680 1.00 0.00 H new ATOM 0 HB VAL A 33 4.262 -4.413 0.673 1.00 0.00 H new ATOM 0 HG11 VAL A 33 6.387 -4.451 -0.616 1.00 0.00 H new ATOM 0 HG12 VAL A 33 6.700 -4.448 1.136 1.00 0.00 H new ATOM 0 HG13 VAL A 33 6.856 -5.958 0.207 1.00 0.00 H new ATOM 0 HG21 VAL A 33 4.338 -5.561 -1.528 1.00 0.00 H new ATOM 0 HG22 VAL A 33 4.799 -7.079 -0.721 1.00 0.00 H new ATOM 0 HG23 VAL A 33 3.196 -6.365 -0.424 1.00 0.00 H new ATOM 480 N ASN A 34 2.784 -5.978 3.349 1.00 0.00 N ATOM 481 CA ASN A 34 1.358 -6.192 3.736 1.00 0.00 C ATOM 482 C ASN A 34 0.682 -4.843 3.988 1.00 0.00 C ATOM 483 O ASN A 34 1.312 -3.891 4.406 1.00 0.00 O ATOM 484 CB ASN A 34 1.299 -7.038 5.010 1.00 0.00 C ATOM 485 CG ASN A 34 1.899 -8.417 4.732 1.00 0.00 C ATOM 486 OD1 ASN A 34 1.182 -9.366 4.480 1.00 0.00 O ATOM 487 ND2 ASN A 34 3.194 -8.569 4.768 1.00 0.00 N ATOM 0 H ASN A 34 3.352 -5.493 4.044 1.00 0.00 H new ATOM 0 HA ASN A 34 0.839 -6.709 2.929 1.00 0.00 H new ATOM 0 HB2 ASN A 34 1.848 -6.545 5.813 1.00 0.00 H new ATOM 0 HB3 ASN A 34 0.267 -7.139 5.345 1.00 0.00 H new ATOM 0 HD21 ASN A 34 3.605 -9.484 4.585 1.00 0.00 H new ATOM 0 HD22 ASN A 34 3.795 -7.773 4.979 1.00 0.00 H new ATOM 494 N LEU A 35 -0.601 -4.764 3.737 1.00 0.00 N ATOM 495 CA LEU A 35 -1.338 -3.485 3.959 1.00 0.00 C ATOM 496 C LEU A 35 -2.281 -3.645 5.152 1.00 0.00 C ATOM 497 O LEU A 35 -3.144 -4.502 5.159 1.00 0.00 O ATOM 498 CB LEU A 35 -2.151 -3.142 2.707 1.00 0.00 C ATOM 499 CG LEU A 35 -2.649 -1.696 2.796 1.00 0.00 C ATOM 500 CD1 LEU A 35 -2.620 -1.058 1.406 1.00 0.00 C ATOM 501 CD2 LEU A 35 -4.084 -1.679 3.329 1.00 0.00 C ATOM 0 H LEU A 35 -1.171 -5.534 3.387 1.00 0.00 H new ATOM 0 HA LEU A 35 -0.627 -2.683 4.161 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -1.537 -3.271 1.816 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -2.997 -3.823 2.613 1.00 0.00 H new ATOM 0 HG LEU A 35 -2.002 -1.134 3.470 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -2.975 -0.029 1.470 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -1.600 -1.067 1.023 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -3.265 -1.623 0.733 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -4.437 -0.650 3.392 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -4.729 -2.243 2.655 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -4.109 -2.132 4.320 1.00 0.00 H new ATOM 513 N GLU A 36 -2.118 -2.827 6.161 1.00 0.00 N ATOM 514 CA GLU A 36 -3.002 -2.927 7.360 1.00 0.00 C ATOM 515 C GLU A 36 -4.054 -1.816 7.320 1.00 0.00 C ATOM 516 O GLU A 36 -3.756 -0.678 7.012 1.00 0.00 O ATOM 517 CB GLU A 36 -2.158 -2.780 8.629 1.00 0.00 C ATOM 518 CG GLU A 36 -2.822 -3.546 9.775 1.00 0.00 C ATOM 519 CD GLU A 36 -1.746 -4.171 10.666 1.00 0.00 C ATOM 520 OE1 GLU A 36 -1.030 -3.422 11.311 1.00 0.00 O ATOM 521 OE2 GLU A 36 -1.656 -5.387 10.689 1.00 0.00 O ATOM 0 H GLU A 36 -1.410 -2.094 6.205 1.00 0.00 H new ATOM 0 HA GLU A 36 -3.500 -3.897 7.360 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -1.152 -3.163 8.456 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -2.057 -1.727 8.892 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -3.448 -2.873 10.361 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -3.475 -4.323 9.377 1.00 0.00 H new ATOM 528 N TYR A 37 -5.283 -2.142 7.634 1.00 0.00 N ATOM 529 CA TYR A 37 -6.362 -1.112 7.624 1.00 0.00 C ATOM 530 C TYR A 37 -7.526 -1.577 8.501 1.00 0.00 C ATOM 531 O TYR A 37 -7.894 -2.736 8.498 1.00 0.00 O ATOM 532 CB TYR A 37 -6.866 -0.897 6.195 1.00 0.00 C ATOM 533 CG TYR A 37 -7.795 0.292 6.180 1.00 0.00 C ATOM 534 CD1 TYR A 37 -7.276 1.583 6.326 1.00 0.00 C ATOM 535 CD2 TYR A 37 -9.173 0.104 6.031 1.00 0.00 C ATOM 536 CE1 TYR A 37 -8.136 2.687 6.324 1.00 0.00 C ATOM 537 CE2 TYR A 37 -10.035 1.207 6.027 1.00 0.00 C ATOM 538 CZ TYR A 37 -9.516 2.499 6.174 1.00 0.00 C ATOM 539 OH TYR A 37 -10.365 3.587 6.174 1.00 0.00 O ATOM 0 H TYR A 37 -5.584 -3.080 7.897 1.00 0.00 H new ATOM 0 HA TYR A 37 -5.960 -0.176 8.012 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -6.027 -0.729 5.520 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -7.386 -1.787 5.841 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -6.212 1.728 6.440 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -9.572 -0.893 5.919 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -7.736 3.684 6.438 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -11.099 1.062 5.911 1.00 0.00 H new ATOM 0 HH TYR A 37 -11.289 3.281 6.059 1.00 0.00 H new ATOM 549 N ASN A 38 -8.111 -0.672 9.244 1.00 0.00 N ATOM 550 CA ASN A 38 -9.263 -1.032 10.127 1.00 0.00 C ATOM 551 C ASN A 38 -8.840 -2.068 11.179 1.00 0.00 C ATOM 552 O ASN A 38 -9.677 -2.697 11.799 1.00 0.00 O ATOM 553 CB ASN A 38 -10.399 -1.609 9.278 1.00 0.00 C ATOM 554 CG ASN A 38 -11.744 -1.195 9.876 1.00 0.00 C ATOM 555 OD1 ASN A 38 -12.204 -0.091 9.661 1.00 0.00 O ATOM 556 ND2 ASN A 38 -12.398 -2.039 10.626 1.00 0.00 N ATOM 0 H ASN A 38 -7.837 0.310 9.277 1.00 0.00 H new ATOM 0 HA ASN A 38 -9.601 -0.131 10.638 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -10.319 -1.250 8.252 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -10.324 -2.696 9.242 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -13.295 -1.772 11.032 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -12.012 -2.966 10.807 1.00 0.00 H new ATOM 563 N GLY A 39 -7.556 -2.246 11.397 1.00 0.00 N ATOM 564 CA GLY A 39 -7.097 -3.234 12.419 1.00 0.00 C ATOM 565 C GLY A 39 -6.904 -4.619 11.792 1.00 0.00 C ATOM 566 O GLY A 39 -6.235 -5.463 12.358 1.00 0.00 O ATOM 0 H GLY A 39 -6.810 -1.749 10.910 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -6.160 -2.897 12.861 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -7.827 -3.294 13.226 1.00 0.00 H new ATOM 570 N LYS A 40 -7.476 -4.866 10.639 1.00 0.00 N ATOM 571 CA LYS A 40 -7.309 -6.202 9.998 1.00 0.00 C ATOM 572 C LYS A 40 -6.067 -6.183 9.112 1.00 0.00 C ATOM 573 O LYS A 40 -5.770 -5.200 8.460 1.00 0.00 O ATOM 574 CB LYS A 40 -8.533 -6.530 9.144 1.00 0.00 C ATOM 575 CG LYS A 40 -9.727 -6.872 10.049 1.00 0.00 C ATOM 576 CD LYS A 40 -10.931 -6.002 9.674 1.00 0.00 C ATOM 577 CE LYS A 40 -11.868 -5.882 10.877 1.00 0.00 C ATOM 578 NZ LYS A 40 -13.226 -5.480 10.412 1.00 0.00 N ATOM 0 H LYS A 40 -8.048 -4.202 10.118 1.00 0.00 H new ATOM 0 HA LYS A 40 -7.201 -6.960 10.774 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -8.780 -5.681 8.507 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -8.313 -7.370 8.485 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -9.983 -7.926 9.945 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -9.461 -6.710 11.094 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -10.595 -5.013 9.361 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -11.461 -6.441 8.829 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -11.920 -6.833 11.407 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -11.480 -5.146 11.581 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -13.863 -5.398 11.230 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -13.169 -4.563 9.925 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -13.595 -6.198 9.756 1.00 0.00 H new ATOM 592 N THR A 41 -5.343 -7.266 9.090 1.00 0.00 N ATOM 593 CA THR A 41 -4.111 -7.334 8.253 1.00 0.00 C ATOM 594 C THR A 41 -4.397 -8.135 6.981 1.00 0.00 C ATOM 595 O THR A 41 -4.875 -9.252 7.035 1.00 0.00 O ATOM 596 CB THR A 41 -2.994 -8.018 9.046 1.00 0.00 C ATOM 597 OG1 THR A 41 -3.088 -7.640 10.412 1.00 0.00 O ATOM 598 CG2 THR A 41 -1.634 -7.594 8.488 1.00 0.00 C ATOM 0 H THR A 41 -5.552 -8.113 9.619 1.00 0.00 H new ATOM 0 HA THR A 41 -3.801 -6.325 7.982 1.00 0.00 H new ATOM 0 HB THR A 41 -3.096 -9.100 8.960 1.00 0.00 H new ATOM 0 HG1 THR A 41 -2.819 -6.703 10.511 1.00 0.00 H new ATOM 0 HG21 THR A 41 -0.840 -8.082 9.054 1.00 0.00 H new ATOM 0 HG22 THR A 41 -1.564 -7.885 7.440 1.00 0.00 H new ATOM 0 HG23 THR A 41 -1.527 -6.513 8.572 1.00 0.00 H new ATOM 606 N VAL A 42 -4.107 -7.567 5.837 1.00 0.00 N ATOM 607 CA VAL A 42 -4.358 -8.286 4.554 1.00 0.00 C ATOM 608 C VAL A 42 -3.063 -8.343 3.740 1.00 0.00 C ATOM 609 O VAL A 42 -2.062 -7.755 4.107 1.00 0.00 O ATOM 610 CB VAL A 42 -5.431 -7.545 3.753 1.00 0.00 C ATOM 611 CG1 VAL A 42 -6.765 -7.616 4.499 1.00 0.00 C ATOM 612 CG2 VAL A 42 -5.022 -6.080 3.581 1.00 0.00 C ATOM 0 H VAL A 42 -3.706 -6.634 5.738 1.00 0.00 H new ATOM 0 HA VAL A 42 -4.699 -9.299 4.767 1.00 0.00 H new ATOM 0 HB VAL A 42 -5.536 -8.010 2.773 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -7.529 -7.088 3.929 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -7.059 -8.659 4.621 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -6.659 -7.152 5.479 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -5.787 -5.553 3.010 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -4.915 -5.615 4.561 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -4.072 -6.027 3.049 1.00 0.00 H new ATOM 622 N ASN A 43 -3.079 -9.048 2.638 1.00 0.00 N ATOM 623 CA ASN A 43 -1.856 -9.154 1.790 1.00 0.00 C ATOM 624 C ASN A 43 -1.849 -8.025 0.758 1.00 0.00 C ATOM 625 O ASN A 43 -2.857 -7.726 0.147 1.00 0.00 O ATOM 626 CB ASN A 43 -1.855 -10.503 1.069 1.00 0.00 C ATOM 627 CG ASN A 43 -0.413 -10.950 0.820 1.00 0.00 C ATOM 628 OD1 ASN A 43 0.399 -10.954 1.724 1.00 0.00 O ATOM 629 ND2 ASN A 43 -0.058 -11.331 -0.377 1.00 0.00 N ATOM 0 H ASN A 43 -3.891 -9.557 2.288 1.00 0.00 H new ATOM 0 HA ASN A 43 -0.969 -9.075 2.419 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -2.379 -11.248 1.668 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -2.390 -10.422 0.123 1.00 0.00 H new ATOM 0 HD21 ASN A 43 0.901 -11.632 -0.553 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -0.739 -11.328 -1.136 1.00 0.00 H new ATOM 636 N LEU A 44 -0.716 -7.398 0.559 1.00 0.00 N ATOM 637 CA LEU A 44 -0.634 -6.288 -0.435 1.00 0.00 C ATOM 638 C LEU A 44 -0.588 -6.854 -1.861 1.00 0.00 C ATOM 639 O LEU A 44 -0.785 -6.133 -2.822 1.00 0.00 O ATOM 640 CB LEU A 44 0.629 -5.464 -0.175 1.00 0.00 C ATOM 641 CG LEU A 44 0.564 -4.164 -0.980 1.00 0.00 C ATOM 642 CD1 LEU A 44 1.225 -3.036 -0.185 1.00 0.00 C ATOM 643 CD2 LEU A 44 1.300 -4.348 -2.311 1.00 0.00 C ATOM 0 H LEU A 44 0.156 -7.609 1.044 1.00 0.00 H new ATOM 0 HA LEU A 44 -1.516 -5.655 -0.332 1.00 0.00 H new ATOM 0 HB2 LEU A 44 0.719 -5.242 0.888 1.00 0.00 H new ATOM 0 HB3 LEU A 44 1.513 -6.035 -0.457 1.00 0.00 H new ATOM 0 HG LEU A 44 -0.478 -3.910 -1.173 1.00 0.00 H new ATOM 0 HD11 LEU A 44 1.178 -2.111 -0.759 1.00 0.00 H new ATOM 0 HD12 LEU A 44 0.701 -2.903 0.762 1.00 0.00 H new ATOM 0 HD13 LEU A 44 2.267 -3.290 0.009 1.00 0.00 H new ATOM 0 HD21 LEU A 44 1.253 -3.422 -2.884 1.00 0.00 H new ATOM 0 HD22 LEU A 44 2.342 -4.603 -2.118 1.00 0.00 H new ATOM 0 HD23 LEU A 44 0.829 -5.150 -2.879 1.00 0.00 H new ATOM 655 N LYS A 45 -0.329 -8.135 -2.012 1.00 0.00 N ATOM 656 CA LYS A 45 -0.271 -8.735 -3.379 1.00 0.00 C ATOM 657 C LYS A 45 -1.653 -9.260 -3.795 1.00 0.00 C ATOM 658 O LYS A 45 -1.764 -10.054 -4.710 1.00 0.00 O ATOM 659 CB LYS A 45 0.731 -9.892 -3.382 1.00 0.00 C ATOM 660 CG LYS A 45 2.156 -9.336 -3.306 1.00 0.00 C ATOM 661 CD LYS A 45 3.095 -10.411 -2.754 1.00 0.00 C ATOM 662 CE LYS A 45 3.519 -11.350 -3.887 1.00 0.00 C ATOM 663 NZ LYS A 45 4.449 -10.633 -4.804 1.00 0.00 N ATOM 0 H LYS A 45 -0.156 -8.786 -1.246 1.00 0.00 H new ATOM 0 HA LYS A 45 0.042 -7.968 -4.087 1.00 0.00 H new ATOM 0 HB2 LYS A 45 0.542 -10.553 -2.536 1.00 0.00 H new ATOM 0 HB3 LYS A 45 0.610 -10.489 -4.286 1.00 0.00 H new ATOM 0 HG2 LYS A 45 2.488 -9.021 -4.295 1.00 0.00 H new ATOM 0 HG3 LYS A 45 2.180 -8.454 -2.666 1.00 0.00 H new ATOM 0 HD2 LYS A 45 3.973 -9.946 -2.305 1.00 0.00 H new ATOM 0 HD3 LYS A 45 2.595 -10.976 -1.967 1.00 0.00 H new ATOM 0 HE2 LYS A 45 4.006 -12.235 -3.477 1.00 0.00 H new ATOM 0 HE3 LYS A 45 2.642 -11.694 -4.436 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 5.076 -11.320 -5.270 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 3.900 -10.121 -5.524 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 5.021 -9.957 -4.259 1.00 0.00 H new ATOM 677 N SER A 46 -2.705 -8.825 -3.141 1.00 0.00 N ATOM 678 CA SER A 46 -4.069 -9.299 -3.511 1.00 0.00 C ATOM 679 C SER A 46 -4.887 -8.114 -4.026 1.00 0.00 C ATOM 680 O SER A 46 -5.007 -7.099 -3.366 1.00 0.00 O ATOM 681 CB SER A 46 -4.754 -9.895 -2.283 1.00 0.00 C ATOM 682 OG SER A 46 -5.650 -10.920 -2.693 1.00 0.00 O ATOM 0 H SER A 46 -2.673 -8.162 -2.367 1.00 0.00 H new ATOM 0 HA SER A 46 -3.995 -10.061 -4.287 1.00 0.00 H new ATOM 0 HB2 SER A 46 -4.009 -10.300 -1.598 1.00 0.00 H new ATOM 0 HB3 SER A 46 -5.295 -9.119 -1.742 1.00 0.00 H new ATOM 0 HG SER A 46 -6.089 -11.305 -1.906 1.00 0.00 H new ATOM 688 N ILE A 47 -5.448 -8.238 -5.200 1.00 0.00 N ATOM 689 CA ILE A 47 -6.260 -7.122 -5.770 1.00 0.00 C ATOM 690 C ILE A 47 -7.729 -7.322 -5.391 1.00 0.00 C ATOM 691 O ILE A 47 -8.437 -6.375 -5.104 1.00 0.00 O ATOM 692 CB ILE A 47 -6.118 -7.115 -7.294 1.00 0.00 C ATOM 693 CG1 ILE A 47 -4.634 -7.050 -7.666 1.00 0.00 C ATOM 694 CG2 ILE A 47 -6.840 -5.894 -7.870 1.00 0.00 C ATOM 695 CD1 ILE A 47 -4.100 -8.465 -7.892 1.00 0.00 C ATOM 0 H ILE A 47 -5.379 -9.067 -5.791 1.00 0.00 H new ATOM 0 HA ILE A 47 -5.908 -6.171 -5.371 1.00 0.00 H new ATOM 0 HB ILE A 47 -6.558 -8.024 -7.704 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -4.500 -6.452 -8.567 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -4.071 -6.560 -6.872 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -6.738 -5.890 -8.955 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -7.896 -5.937 -7.605 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -6.400 -4.985 -7.461 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -3.044 -8.417 -8.157 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -4.219 -9.049 -6.979 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -4.656 -8.939 -8.701 1.00 0.00 H new ATOM 707 N MET A 48 -8.185 -8.548 -5.383 1.00 0.00 N ATOM 708 CA MET A 48 -9.605 -8.821 -5.017 1.00 0.00 C ATOM 709 C MET A 48 -9.741 -8.846 -3.491 1.00 0.00 C ATOM 710 O MET A 48 -10.787 -8.541 -2.949 1.00 0.00 O ATOM 711 CB MET A 48 -10.030 -10.176 -5.589 1.00 0.00 C ATOM 712 CG MET A 48 -11.528 -10.381 -5.357 1.00 0.00 C ATOM 713 SD MET A 48 -12.225 -11.357 -6.714 1.00 0.00 S ATOM 714 CE MET A 48 -12.646 -9.968 -7.796 1.00 0.00 C ATOM 0 H MET A 48 -7.633 -9.373 -5.615 1.00 0.00 H new ATOM 0 HA MET A 48 -10.243 -8.038 -5.428 1.00 0.00 H new ATOM 0 HB2 MET A 48 -9.807 -10.219 -6.655 1.00 0.00 H new ATOM 0 HB3 MET A 48 -9.465 -10.977 -5.113 1.00 0.00 H new ATOM 0 HG2 MET A 48 -11.693 -10.890 -4.407 1.00 0.00 H new ATOM 0 HG3 MET A 48 -12.032 -9.416 -5.293 1.00 0.00 H new ATOM 0 HE1 MET A 48 -13.099 -10.345 -8.713 1.00 0.00 H new ATOM 0 HE2 MET A 48 -13.351 -9.311 -7.287 1.00 0.00 H new ATOM 0 HE3 MET A 48 -11.742 -9.411 -8.041 1.00 0.00 H new ATOM 724 N GLY A 49 -8.689 -9.207 -2.799 1.00 0.00 N ATOM 725 CA GLY A 49 -8.746 -9.254 -1.308 1.00 0.00 C ATOM 726 C GLY A 49 -8.988 -7.847 -0.756 1.00 0.00 C ATOM 727 O GLY A 49 -9.568 -7.680 0.301 1.00 0.00 O ATOM 0 H GLY A 49 -7.791 -9.472 -3.205 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -9.544 -9.924 -0.986 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -7.813 -9.655 -0.911 1.00 0.00 H new ATOM 731 N VAL A 50 -8.548 -6.836 -1.463 1.00 0.00 N ATOM 732 CA VAL A 50 -8.749 -5.436 -0.984 1.00 0.00 C ATOM 733 C VAL A 50 -10.224 -5.046 -1.124 1.00 0.00 C ATOM 734 O VAL A 50 -10.717 -4.194 -0.409 1.00 0.00 O ATOM 735 CB VAL A 50 -7.888 -4.482 -1.817 1.00 0.00 C ATOM 736 CG1 VAL A 50 -7.980 -3.069 -1.237 1.00 0.00 C ATOM 737 CG2 VAL A 50 -6.431 -4.950 -1.784 1.00 0.00 C ATOM 0 H VAL A 50 -8.057 -6.921 -2.353 1.00 0.00 H new ATOM 0 HA VAL A 50 -8.457 -5.370 0.064 1.00 0.00 H new ATOM 0 HB VAL A 50 -8.247 -4.476 -2.846 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -7.367 -2.391 -1.831 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -9.017 -2.734 -1.259 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -7.622 -3.074 -0.207 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -5.817 -4.272 -2.377 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -6.074 -4.956 -0.754 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -6.363 -5.956 -2.198 1.00 0.00 H new ATOM 747 N VAL A 51 -10.931 -5.660 -2.042 1.00 0.00 N ATOM 748 CA VAL A 51 -12.374 -5.326 -2.235 1.00 0.00 C ATOM 749 C VAL A 51 -13.151 -5.628 -0.949 1.00 0.00 C ATOM 750 O VAL A 51 -14.149 -4.997 -0.655 1.00 0.00 O ATOM 751 CB VAL A 51 -12.940 -6.167 -3.382 1.00 0.00 C ATOM 752 CG1 VAL A 51 -14.377 -5.732 -3.676 1.00 0.00 C ATOM 753 CG2 VAL A 51 -12.082 -5.962 -4.632 1.00 0.00 C ATOM 0 H VAL A 51 -10.568 -6.380 -2.667 1.00 0.00 H new ATOM 0 HA VAL A 51 -12.472 -4.267 -2.474 1.00 0.00 H new ATOM 0 HB VAL A 51 -12.931 -7.220 -3.099 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -14.779 -6.332 -4.493 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -14.990 -5.875 -2.786 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -14.388 -4.679 -3.959 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -12.483 -6.560 -5.451 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -12.093 -4.909 -4.912 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -11.057 -6.271 -4.425 1.00 0.00 H new ATOM 763 N SER A 52 -12.701 -6.591 -0.185 1.00 0.00 N ATOM 764 CA SER A 52 -13.408 -6.942 1.083 1.00 0.00 C ATOM 765 C SER A 52 -13.136 -5.868 2.139 1.00 0.00 C ATOM 766 O SER A 52 -13.945 -5.632 3.017 1.00 0.00 O ATOM 767 CB SER A 52 -12.905 -8.294 1.588 1.00 0.00 C ATOM 768 OG SER A 52 -11.498 -8.229 1.777 1.00 0.00 O ATOM 0 H SER A 52 -11.872 -7.150 -0.386 1.00 0.00 H new ATOM 0 HA SER A 52 -14.480 -6.999 0.895 1.00 0.00 H new ATOM 0 HB2 SER A 52 -13.398 -8.552 2.525 1.00 0.00 H new ATOM 0 HB3 SER A 52 -13.152 -9.078 0.872 1.00 0.00 H new ATOM 0 HG SER A 52 -11.045 -8.449 0.937 1.00 0.00 H new ATOM 774 N LEU A 53 -12.002 -5.219 2.062 1.00 0.00 N ATOM 775 CA LEU A 53 -11.666 -4.159 3.060 1.00 0.00 C ATOM 776 C LEU A 53 -12.704 -3.037 2.994 1.00 0.00 C ATOM 777 O LEU A 53 -13.241 -2.618 4.002 1.00 0.00 O ATOM 778 CB LEU A 53 -10.283 -3.586 2.746 1.00 0.00 C ATOM 779 CG LEU A 53 -9.214 -4.414 3.460 1.00 0.00 C ATOM 780 CD1 LEU A 53 -7.828 -3.976 2.984 1.00 0.00 C ATOM 781 CD2 LEU A 53 -9.329 -4.194 4.970 1.00 0.00 C ATOM 0 H LEU A 53 -11.292 -5.379 1.348 1.00 0.00 H new ATOM 0 HA LEU A 53 -11.667 -4.594 4.060 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -10.109 -3.597 1.670 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -10.227 -2.546 3.067 1.00 0.00 H new ATOM 0 HG LEU A 53 -9.357 -5.470 3.233 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -7.065 -4.566 3.493 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -7.748 -4.129 1.908 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -7.682 -2.920 3.212 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -8.568 -4.783 5.482 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -9.183 -3.138 5.196 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -10.317 -4.505 5.309 1.00 0.00 H new ATOM 793 N GLY A 54 -12.984 -2.546 1.813 1.00 0.00 N ATOM 794 CA GLY A 54 -13.982 -1.446 1.673 1.00 0.00 C ATOM 795 C GLY A 54 -13.397 -0.157 2.249 1.00 0.00 C ATOM 796 O GLY A 54 -13.942 0.426 3.167 1.00 0.00 O ATOM 0 H GLY A 54 -12.563 -2.861 0.939 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -14.240 -1.305 0.623 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -14.903 -1.706 2.195 1.00 0.00 H new ATOM 800 N ILE A 55 -12.286 0.287 1.717 1.00 0.00 N ATOM 801 CA ILE A 55 -11.651 1.534 2.224 1.00 0.00 C ATOM 802 C ILE A 55 -12.337 2.743 1.591 1.00 0.00 C ATOM 803 O ILE A 55 -12.895 2.661 0.514 1.00 0.00 O ATOM 804 CB ILE A 55 -10.165 1.540 1.851 1.00 0.00 C ATOM 805 CG1 ILE A 55 -9.513 0.235 2.312 1.00 0.00 C ATOM 806 CG2 ILE A 55 -9.471 2.720 2.536 1.00 0.00 C ATOM 807 CD1 ILE A 55 -8.117 0.117 1.696 1.00 0.00 C ATOM 0 H ILE A 55 -11.791 -0.166 0.949 1.00 0.00 H new ATOM 0 HA ILE A 55 -11.753 1.580 3.308 1.00 0.00 H new ATOM 0 HB ILE A 55 -10.067 1.634 0.770 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -9.445 0.214 3.400 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -10.127 -0.615 2.015 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -8.414 2.724 2.271 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -9.931 3.652 2.209 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -9.573 2.625 3.617 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -7.652 -0.813 2.024 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -8.198 0.118 0.609 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -7.506 0.961 2.016 1.00 0.00 H new ATOM 819 N ALA A 56 -12.291 3.861 2.258 1.00 0.00 N ATOM 820 CA ALA A 56 -12.932 5.095 1.716 1.00 0.00 C ATOM 821 C ALA A 56 -11.933 6.251 1.775 1.00 0.00 C ATOM 822 O ALA A 56 -10.792 6.076 2.160 1.00 0.00 O ATOM 823 CB ALA A 56 -14.162 5.442 2.558 1.00 0.00 C ATOM 0 H ALA A 56 -11.834 3.976 3.163 1.00 0.00 H new ATOM 0 HA ALA A 56 -13.235 4.926 0.683 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -14.631 6.343 2.163 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -14.873 4.617 2.521 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -13.859 5.614 3.591 1.00 0.00 H new ATOM 829 N LYS A 57 -12.354 7.432 1.396 1.00 0.00 N ATOM 830 CA LYS A 57 -11.433 8.607 1.427 1.00 0.00 C ATOM 831 C LYS A 57 -10.995 8.874 2.869 1.00 0.00 C ATOM 832 O LYS A 57 -11.727 8.617 3.806 1.00 0.00 O ATOM 833 CB LYS A 57 -12.154 9.838 0.872 1.00 0.00 C ATOM 834 CG LYS A 57 -13.454 10.066 1.647 1.00 0.00 C ATOM 835 CD LYS A 57 -13.994 11.463 1.332 1.00 0.00 C ATOM 836 CE LYS A 57 -13.254 12.510 2.174 1.00 0.00 C ATOM 837 NZ LYS A 57 -14.161 13.019 3.241 1.00 0.00 N ATOM 0 H LYS A 57 -13.298 7.632 1.066 1.00 0.00 H new ATOM 0 HA LYS A 57 -10.556 8.397 0.815 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -11.512 10.715 0.953 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -12.370 9.698 -0.187 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -14.190 9.309 1.375 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -13.275 9.966 2.717 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -13.868 11.681 0.271 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -15.063 11.505 1.541 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -12.362 12.070 2.619 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -12.922 13.333 1.541 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -13.660 13.729 3.813 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -15.000 13.454 2.806 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -14.457 12.230 3.851 1.00 0.00 H new ATOM 851 N GLY A 58 -9.803 9.383 3.050 1.00 0.00 N ATOM 852 CA GLY A 58 -9.305 9.666 4.428 1.00 0.00 C ATOM 853 C GLY A 58 -9.094 8.346 5.173 1.00 0.00 C ATOM 854 O GLY A 58 -9.569 8.165 6.278 1.00 0.00 O ATOM 0 H GLY A 58 -9.152 9.615 2.300 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -8.370 10.224 4.381 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -10.021 10.289 4.965 1.00 0.00 H new ATOM 858 N ALA A 59 -8.388 7.423 4.569 1.00 0.00 N ATOM 859 CA ALA A 59 -8.143 6.108 5.229 1.00 0.00 C ATOM 860 C ALA A 59 -6.681 6.023 5.678 1.00 0.00 C ATOM 861 O ALA A 59 -5.775 6.339 4.930 1.00 0.00 O ATOM 862 CB ALA A 59 -8.441 4.981 4.236 1.00 0.00 C ATOM 0 H ALA A 59 -7.970 7.526 3.644 1.00 0.00 H new ATOM 0 HA ALA A 59 -8.792 6.010 6.099 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -8.263 4.018 4.715 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -9.482 5.042 3.918 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -7.790 5.080 3.367 1.00 0.00 H new ATOM 868 N GLU A 60 -6.450 5.594 6.893 1.00 0.00 N ATOM 869 CA GLU A 60 -5.052 5.480 7.401 1.00 0.00 C ATOM 870 C GLU A 60 -4.568 4.039 7.237 1.00 0.00 C ATOM 871 O GLU A 60 -5.075 3.131 7.870 1.00 0.00 O ATOM 872 CB GLU A 60 -5.010 5.867 8.880 1.00 0.00 C ATOM 873 CG GLU A 60 -5.295 7.362 9.027 1.00 0.00 C ATOM 874 CD GLU A 60 -4.722 7.865 10.353 1.00 0.00 C ATOM 875 OE1 GLU A 60 -5.431 7.803 11.344 1.00 0.00 O ATOM 876 OE2 GLU A 60 -3.583 8.303 10.356 1.00 0.00 O ATOM 0 H GLU A 60 -7.174 5.317 7.556 1.00 0.00 H new ATOM 0 HA GLU A 60 -4.405 6.149 6.834 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -5.747 5.289 9.439 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -4.033 5.630 9.301 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -4.851 7.911 8.196 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -6.369 7.543 8.991 1.00 0.00 H new ATOM 883 N ILE A 61 -3.593 3.824 6.392 1.00 0.00 N ATOM 884 CA ILE A 61 -3.071 2.441 6.179 1.00 0.00 C ATOM 885 C ILE A 61 -1.638 2.347 6.705 1.00 0.00 C ATOM 886 O ILE A 61 -0.935 3.335 6.800 1.00 0.00 O ATOM 887 CB ILE A 61 -3.085 2.110 4.684 1.00 0.00 C ATOM 888 CG1 ILE A 61 -2.355 3.211 3.908 1.00 0.00 C ATOM 889 CG2 ILE A 61 -4.532 2.015 4.196 1.00 0.00 C ATOM 890 CD1 ILE A 61 -1.585 2.591 2.740 1.00 0.00 C ATOM 0 H ILE A 61 -3.135 4.548 5.839 1.00 0.00 H new ATOM 0 HA ILE A 61 -3.703 1.732 6.714 1.00 0.00 H new ATOM 0 HB ILE A 61 -2.582 1.157 4.519 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -3.071 3.944 3.537 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -1.669 3.742 4.568 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -4.542 1.779 3.132 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -5.051 1.230 4.746 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -5.035 2.968 4.362 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -1.066 3.375 2.189 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -0.858 1.875 3.123 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -2.282 2.080 2.075 1.00 0.00 H new ATOM 902 N THR A 62 -1.203 1.160 7.044 1.00 0.00 N ATOM 903 CA THR A 62 0.184 0.983 7.564 1.00 0.00 C ATOM 904 C THR A 62 0.899 -0.088 6.736 1.00 0.00 C ATOM 905 O THR A 62 0.565 -1.257 6.797 1.00 0.00 O ATOM 906 CB THR A 62 0.127 0.544 9.030 1.00 0.00 C ATOM 907 OG1 THR A 62 -0.904 1.261 9.695 1.00 0.00 O ATOM 908 CG2 THR A 62 1.469 0.833 9.705 1.00 0.00 C ATOM 0 H THR A 62 -1.752 0.303 6.982 1.00 0.00 H new ATOM 0 HA THR A 62 0.727 1.925 7.490 1.00 0.00 H new ATOM 0 HB THR A 62 -0.079 -0.525 9.082 1.00 0.00 H new ATOM 0 HG1 THR A 62 -0.944 0.981 10.633 1.00 0.00 H new ATOM 0 HG21 THR A 62 1.426 0.520 10.748 1.00 0.00 H new ATOM 0 HG22 THR A 62 2.259 0.284 9.193 1.00 0.00 H new ATOM 0 HG23 THR A 62 1.679 1.901 9.655 1.00 0.00 H new ATOM 916 N ILE A 63 1.877 0.306 5.963 1.00 0.00 N ATOM 917 CA ILE A 63 2.620 -0.678 5.124 1.00 0.00 C ATOM 918 C ILE A 63 3.840 -1.186 5.899 1.00 0.00 C ATOM 919 O ILE A 63 4.539 -0.427 6.539 1.00 0.00 O ATOM 920 CB ILE A 63 3.077 0.005 3.828 1.00 0.00 C ATOM 921 CG1 ILE A 63 1.851 0.522 3.072 1.00 0.00 C ATOM 922 CG2 ILE A 63 3.832 -0.994 2.945 1.00 0.00 C ATOM 923 CD1 ILE A 63 2.304 1.382 1.891 1.00 0.00 C ATOM 0 H ILE A 63 2.194 1.272 5.877 1.00 0.00 H new ATOM 0 HA ILE A 63 1.971 -1.520 4.880 1.00 0.00 H new ATOM 0 HB ILE A 63 3.739 0.835 4.075 1.00 0.00 H new ATOM 0 HG12 ILE A 63 1.250 -0.315 2.716 1.00 0.00 H new ATOM 0 HG13 ILE A 63 1.219 1.107 3.740 1.00 0.00 H new ATOM 0 HG21 ILE A 63 4.152 -0.500 2.028 1.00 0.00 H new ATOM 0 HG22 ILE A 63 4.706 -1.365 3.481 1.00 0.00 H new ATOM 0 HG23 ILE A 63 3.176 -1.829 2.697 1.00 0.00 H new ATOM 0 HD11 ILE A 63 1.431 1.750 1.353 1.00 0.00 H new ATOM 0 HD12 ILE A 63 2.886 2.227 2.258 1.00 0.00 H new ATOM 0 HD13 ILE A 63 2.918 0.783 1.219 1.00 0.00 H new ATOM 935 N SER A 64 4.094 -2.468 5.839 1.00 0.00 N ATOM 936 CA SER A 64 5.267 -3.038 6.563 1.00 0.00 C ATOM 937 C SER A 64 5.933 -4.097 5.683 1.00 0.00 C ATOM 938 O SER A 64 5.274 -4.953 5.124 1.00 0.00 O ATOM 939 CB SER A 64 4.798 -3.679 7.871 1.00 0.00 C ATOM 940 OG SER A 64 3.862 -4.708 7.579 1.00 0.00 O ATOM 0 H SER A 64 3.537 -3.146 5.318 1.00 0.00 H new ATOM 0 HA SER A 64 5.981 -2.246 6.787 1.00 0.00 H new ATOM 0 HB2 SER A 64 5.649 -4.089 8.414 1.00 0.00 H new ATOM 0 HB3 SER A 64 4.341 -2.927 8.515 1.00 0.00 H new ATOM 0 HG SER A 64 4.100 -5.136 6.730 1.00 0.00 H new ATOM 946 N ALA A 65 7.236 -4.043 5.554 1.00 0.00 N ATOM 947 CA ALA A 65 7.951 -5.042 4.706 1.00 0.00 C ATOM 948 C ALA A 65 8.848 -5.917 5.582 1.00 0.00 C ATOM 949 O ALA A 65 9.472 -5.445 6.514 1.00 0.00 O ATOM 950 CB ALA A 65 8.809 -4.309 3.672 1.00 0.00 C ATOM 0 H ALA A 65 7.835 -3.348 6.001 1.00 0.00 H new ATOM 0 HA ALA A 65 7.221 -5.671 4.197 1.00 0.00 H new ATOM 0 HB1 ALA A 65 9.332 -5.037 3.052 1.00 0.00 H new ATOM 0 HB2 ALA A 65 8.170 -3.689 3.043 1.00 0.00 H new ATOM 0 HB3 ALA A 65 9.536 -3.679 4.184 1.00 0.00 H new ATOM 956 N SER A 66 8.916 -7.191 5.287 1.00 0.00 N ATOM 957 CA SER A 66 9.771 -8.110 6.095 1.00 0.00 C ATOM 958 C SER A 66 10.469 -9.106 5.166 1.00 0.00 C ATOM 959 O SER A 66 9.878 -10.072 4.723 1.00 0.00 O ATOM 960 CB SER A 66 8.899 -8.872 7.093 1.00 0.00 C ATOM 961 OG SER A 66 8.132 -7.944 7.849 1.00 0.00 O ATOM 0 H SER A 66 8.414 -7.635 4.518 1.00 0.00 H new ATOM 0 HA SER A 66 10.519 -7.529 6.634 1.00 0.00 H new ATOM 0 HB2 SER A 66 8.240 -9.562 6.566 1.00 0.00 H new ATOM 0 HB3 SER A 66 9.523 -9.471 7.756 1.00 0.00 H new ATOM 0 HG SER A 66 7.570 -8.429 8.489 1.00 0.00 H new ATOM 967 N GLY A 67 11.723 -8.874 4.868 1.00 0.00 N ATOM 968 CA GLY A 67 12.468 -9.803 3.967 1.00 0.00 C ATOM 969 C GLY A 67 13.928 -9.358 3.867 1.00 0.00 C ATOM 970 O GLY A 67 14.523 -8.930 4.837 1.00 0.00 O ATOM 0 H GLY A 67 12.263 -8.080 5.211 1.00 0.00 H new ATOM 0 HA2 GLY A 67 12.413 -10.821 4.352 1.00 0.00 H new ATOM 0 HA3 GLY A 67 12.011 -9.811 2.978 1.00 0.00 H new ATOM 974 N ALA A 68 14.506 -9.456 2.697 1.00 0.00 N ATOM 975 CA ALA A 68 15.930 -9.042 2.522 1.00 0.00 C ATOM 976 C ALA A 68 15.988 -7.559 2.149 1.00 0.00 C ATOM 977 O ALA A 68 16.683 -6.781 2.775 1.00 0.00 O ATOM 978 CB ALA A 68 16.568 -9.872 1.407 1.00 0.00 C ATOM 0 H ALA A 68 14.051 -9.806 1.854 1.00 0.00 H new ATOM 0 HA ALA A 68 16.473 -9.204 3.453 1.00 0.00 H new ATOM 0 HB1 ALA A 68 17.608 -9.571 1.278 1.00 0.00 H new ATOM 0 HB2 ALA A 68 16.527 -10.929 1.671 1.00 0.00 H new ATOM 0 HB3 ALA A 68 16.025 -9.709 0.476 1.00 0.00 H new ATOM 984 N ASP A 69 15.261 -7.165 1.134 1.00 0.00 N ATOM 985 CA ASP A 69 15.266 -5.732 0.712 1.00 0.00 C ATOM 986 C ASP A 69 13.999 -5.044 1.230 1.00 0.00 C ATOM 987 O ASP A 69 13.380 -4.258 0.537 1.00 0.00 O ATOM 988 CB ASP A 69 15.313 -5.644 -0.820 1.00 0.00 C ATOM 989 CG ASP A 69 14.221 -6.530 -1.428 1.00 0.00 C ATOM 990 OD1 ASP A 69 13.180 -6.668 -0.808 1.00 0.00 O ATOM 991 OD2 ASP A 69 14.447 -7.055 -2.506 1.00 0.00 O ATOM 0 H ASP A 69 14.663 -7.776 0.578 1.00 0.00 H new ATOM 0 HA ASP A 69 16.143 -5.235 1.126 1.00 0.00 H new ATOM 0 HB2 ASP A 69 15.174 -4.611 -1.138 1.00 0.00 H new ATOM 0 HB3 ASP A 69 16.292 -5.959 -1.181 1.00 0.00 H new ATOM 996 N GLU A 70 13.613 -5.338 2.445 1.00 0.00 N ATOM 997 CA GLU A 70 12.387 -4.711 3.024 1.00 0.00 C ATOM 998 C GLU A 70 12.578 -3.195 3.120 1.00 0.00 C ATOM 999 O GLU A 70 11.629 -2.437 3.048 1.00 0.00 O ATOM 1000 CB GLU A 70 12.131 -5.285 4.420 1.00 0.00 C ATOM 1001 CG GLU A 70 13.395 -5.157 5.274 1.00 0.00 C ATOM 1002 CD GLU A 70 13.039 -5.347 6.749 1.00 0.00 C ATOM 1003 OE1 GLU A 70 12.365 -6.317 7.054 1.00 0.00 O ATOM 1004 OE2 GLU A 70 13.447 -4.520 7.548 1.00 0.00 O ATOM 0 H GLU A 70 14.097 -5.989 3.064 1.00 0.00 H new ATOM 0 HA GLU A 70 11.534 -4.925 2.380 1.00 0.00 H new ATOM 0 HB2 GLU A 70 11.305 -4.755 4.895 1.00 0.00 H new ATOM 0 HB3 GLU A 70 11.837 -6.332 4.344 1.00 0.00 H new ATOM 0 HG2 GLU A 70 14.130 -5.902 4.968 1.00 0.00 H new ATOM 0 HG3 GLU A 70 13.851 -4.179 5.123 1.00 0.00 H new ATOM 1011 N ASN A 71 13.799 -2.749 3.284 1.00 0.00 N ATOM 1012 CA ASN A 71 14.058 -1.282 3.391 1.00 0.00 C ATOM 1013 C ASN A 71 13.853 -0.619 2.029 1.00 0.00 C ATOM 1014 O ASN A 71 13.284 0.452 1.932 1.00 0.00 O ATOM 1015 CB ASN A 71 15.497 -1.050 3.855 1.00 0.00 C ATOM 1016 CG ASN A 71 15.536 -0.982 5.381 1.00 0.00 C ATOM 1017 OD1 ASN A 71 15.965 -1.913 6.033 1.00 0.00 O ATOM 1018 ND2 ASN A 71 15.102 0.091 5.982 1.00 0.00 N ATOM 0 H ASN A 71 14.628 -3.340 3.348 1.00 0.00 H new ATOM 0 HA ASN A 71 13.365 -0.848 4.112 1.00 0.00 H new ATOM 0 HB2 ASN A 71 16.139 -1.856 3.500 1.00 0.00 H new ATOM 0 HB3 ASN A 71 15.883 -0.124 3.429 1.00 0.00 H new ATOM 0 HD21 ASN A 71 15.123 0.149 7.000 1.00 0.00 H new ATOM 0 HD22 ASN A 71 14.742 0.872 5.434 1.00 0.00 H new ATOM 1025 N ASP A 72 14.316 -1.244 0.979 1.00 0.00 N ATOM 1026 CA ASP A 72 14.158 -0.652 -0.383 1.00 0.00 C ATOM 1027 C ASP A 72 12.701 -0.773 -0.850 1.00 0.00 C ATOM 1028 O ASP A 72 12.279 -0.079 -1.757 1.00 0.00 O ATOM 1029 CB ASP A 72 15.069 -1.391 -1.366 1.00 0.00 C ATOM 1030 CG ASP A 72 16.504 -1.395 -0.832 1.00 0.00 C ATOM 1031 OD1 ASP A 72 16.822 -2.280 -0.054 1.00 0.00 O ATOM 1032 OD2 ASP A 72 17.258 -0.514 -1.207 1.00 0.00 O ATOM 0 H ASP A 72 14.799 -2.142 1.006 1.00 0.00 H new ATOM 0 HA ASP A 72 14.431 0.403 -0.345 1.00 0.00 H new ATOM 0 HB2 ASP A 72 14.719 -2.414 -1.504 1.00 0.00 H new ATOM 0 HB3 ASP A 72 15.035 -0.908 -2.343 1.00 0.00 H new ATOM 1037 N ALA A 73 11.931 -1.650 -0.250 1.00 0.00 N ATOM 1038 CA ALA A 73 10.509 -1.817 -0.671 1.00 0.00 C ATOM 1039 C ALA A 73 9.632 -0.727 -0.044 1.00 0.00 C ATOM 1040 O ALA A 73 8.813 -0.123 -0.711 1.00 0.00 O ATOM 1041 CB ALA A 73 10.008 -3.191 -0.221 1.00 0.00 C ATOM 0 H ALA A 73 12.229 -2.257 0.514 1.00 0.00 H new ATOM 0 HA ALA A 73 10.450 -1.734 -1.756 1.00 0.00 H new ATOM 0 HB1 ALA A 73 8.969 -3.317 -0.526 1.00 0.00 H new ATOM 0 HB2 ALA A 73 10.618 -3.969 -0.680 1.00 0.00 H new ATOM 0 HB3 ALA A 73 10.079 -3.267 0.864 1.00 0.00 H new ATOM 1047 N LEU A 74 9.780 -0.487 1.236 1.00 0.00 N ATOM 1048 CA LEU A 74 8.935 0.547 1.911 1.00 0.00 C ATOM 1049 C LEU A 74 9.233 1.943 1.350 1.00 0.00 C ATOM 1050 O LEU A 74 8.329 2.733 1.146 1.00 0.00 O ATOM 1051 CB LEU A 74 9.198 0.531 3.422 1.00 0.00 C ATOM 1052 CG LEU A 74 10.684 0.766 3.702 1.00 0.00 C ATOM 1053 CD1 LEU A 74 10.941 2.262 3.920 1.00 0.00 C ATOM 1054 CD2 LEU A 74 11.091 -0.010 4.958 1.00 0.00 C ATOM 0 H LEU A 74 10.449 -0.962 1.842 1.00 0.00 H new ATOM 0 HA LEU A 74 7.888 0.312 1.722 1.00 0.00 H new ATOM 0 HB2 LEU A 74 8.602 1.302 3.910 1.00 0.00 H new ATOM 0 HB3 LEU A 74 8.888 -0.426 3.842 1.00 0.00 H new ATOM 0 HG LEU A 74 11.271 0.422 2.851 1.00 0.00 H new ATOM 0 HD11 LEU A 74 12.000 2.424 4.119 1.00 0.00 H new ATOM 0 HD12 LEU A 74 10.651 2.815 3.027 1.00 0.00 H new ATOM 0 HD13 LEU A 74 10.355 2.612 4.770 1.00 0.00 H new ATOM 0 HD21 LEU A 74 12.149 0.155 5.161 1.00 0.00 H new ATOM 0 HD22 LEU A 74 10.501 0.336 5.807 1.00 0.00 H new ATOM 0 HD23 LEU A 74 10.913 -1.074 4.802 1.00 0.00 H new ATOM 1066 N ASN A 75 10.483 2.261 1.108 1.00 0.00 N ATOM 1067 CA ASN A 75 10.812 3.622 0.569 1.00 0.00 C ATOM 1068 C ASN A 75 10.489 3.688 -0.926 1.00 0.00 C ATOM 1069 O ASN A 75 10.196 4.743 -1.456 1.00 0.00 O ATOM 1070 CB ASN A 75 12.294 3.958 0.793 1.00 0.00 C ATOM 1071 CG ASN A 75 13.191 2.772 0.435 1.00 0.00 C ATOM 1072 OD1 ASN A 75 12.850 1.965 -0.406 1.00 0.00 O ATOM 1073 ND2 ASN A 75 14.337 2.635 1.048 1.00 0.00 N ATOM 0 H ASN A 75 11.282 1.646 1.258 1.00 0.00 H new ATOM 0 HA ASN A 75 10.206 4.354 1.103 1.00 0.00 H new ATOM 0 HB2 ASN A 75 12.569 4.821 0.187 1.00 0.00 H new ATOM 0 HB3 ASN A 75 12.453 4.236 1.835 1.00 0.00 H new ATOM 0 HD21 ASN A 75 14.946 1.849 0.820 1.00 0.00 H new ATOM 0 HD22 ASN A 75 14.622 3.314 1.754 1.00 0.00 H new ATOM 1080 N ALA A 76 10.532 2.572 -1.607 1.00 0.00 N ATOM 1081 CA ALA A 76 10.217 2.567 -3.067 1.00 0.00 C ATOM 1082 C ALA A 76 8.728 2.866 -3.265 1.00 0.00 C ATOM 1083 O ALA A 76 8.327 3.441 -4.261 1.00 0.00 O ATOM 1084 CB ALA A 76 10.545 1.194 -3.654 1.00 0.00 C ATOM 0 H ALA A 76 10.772 1.662 -1.214 1.00 0.00 H new ATOM 0 HA ALA A 76 10.812 3.328 -3.572 1.00 0.00 H new ATOM 0 HB1 ALA A 76 10.315 1.190 -4.720 1.00 0.00 H new ATOM 0 HB2 ALA A 76 11.604 0.980 -3.510 1.00 0.00 H new ATOM 0 HB3 ALA A 76 9.950 0.432 -3.151 1.00 0.00 H new ATOM 1090 N LEU A 77 7.910 2.489 -2.315 1.00 0.00 N ATOM 1091 CA LEU A 77 6.445 2.752 -2.426 1.00 0.00 C ATOM 1092 C LEU A 77 6.143 4.164 -1.916 1.00 0.00 C ATOM 1093 O LEU A 77 5.149 4.762 -2.276 1.00 0.00 O ATOM 1094 CB LEU A 77 5.678 1.734 -1.576 1.00 0.00 C ATOM 1095 CG LEU A 77 5.862 0.330 -2.162 1.00 0.00 C ATOM 1096 CD1 LEU A 77 5.972 -0.689 -1.027 1.00 0.00 C ATOM 1097 CD2 LEU A 77 4.658 -0.019 -3.041 1.00 0.00 C ATOM 0 H LEU A 77 8.197 2.008 -1.463 1.00 0.00 H new ATOM 0 HA LEU A 77 6.138 2.664 -3.468 1.00 0.00 H new ATOM 0 HB2 LEU A 77 6.038 1.759 -0.548 1.00 0.00 H new ATOM 0 HB3 LEU A 77 4.619 1.992 -1.550 1.00 0.00 H new ATOM 0 HG LEU A 77 6.772 0.306 -2.762 1.00 0.00 H new ATOM 0 HD11 LEU A 77 6.103 -1.687 -1.445 1.00 0.00 H new ATOM 0 HD12 LEU A 77 6.829 -0.444 -0.399 1.00 0.00 H new ATOM 0 HD13 LEU A 77 5.063 -0.664 -0.426 1.00 0.00 H new ATOM 0 HD21 LEU A 77 4.789 -1.018 -3.458 1.00 0.00 H new ATOM 0 HD22 LEU A 77 3.749 0.007 -2.440 1.00 0.00 H new ATOM 0 HD23 LEU A 77 4.578 0.705 -3.852 1.00 0.00 H new ATOM 1109 N GLU A 78 6.996 4.696 -1.074 1.00 0.00 N ATOM 1110 CA GLU A 78 6.773 6.065 -0.531 1.00 0.00 C ATOM 1111 C GLU A 78 6.987 7.098 -1.644 1.00 0.00 C ATOM 1112 O GLU A 78 6.317 8.114 -1.693 1.00 0.00 O ATOM 1113 CB GLU A 78 7.769 6.308 0.608 1.00 0.00 C ATOM 1114 CG GLU A 78 7.555 7.703 1.206 1.00 0.00 C ATOM 1115 CD GLU A 78 8.425 8.717 0.463 1.00 0.00 C ATOM 1116 OE1 GLU A 78 9.616 8.478 0.350 1.00 0.00 O ATOM 1117 OE2 GLU A 78 7.885 9.717 0.019 1.00 0.00 O ATOM 0 H GLU A 78 7.842 4.234 -0.740 1.00 0.00 H new ATOM 0 HA GLU A 78 5.754 6.159 -0.155 1.00 0.00 H new ATOM 0 HB2 GLU A 78 7.642 5.549 1.380 1.00 0.00 H new ATOM 0 HB3 GLU A 78 8.789 6.216 0.235 1.00 0.00 H new ATOM 0 HG2 GLU A 78 6.505 7.985 1.131 1.00 0.00 H new ATOM 0 HG3 GLU A 78 7.809 7.698 2.266 1.00 0.00 H new ATOM 1124 N GLU A 79 7.918 6.849 -2.531 1.00 0.00 N ATOM 1125 CA GLU A 79 8.184 7.819 -3.638 1.00 0.00 C ATOM 1126 C GLU A 79 7.122 7.666 -4.733 1.00 0.00 C ATOM 1127 O GLU A 79 6.614 8.642 -5.252 1.00 0.00 O ATOM 1128 CB GLU A 79 9.584 7.571 -4.222 1.00 0.00 C ATOM 1129 CG GLU A 79 9.677 6.160 -4.820 1.00 0.00 C ATOM 1130 CD GLU A 79 11.116 5.886 -5.258 1.00 0.00 C ATOM 1131 OE1 GLU A 79 11.530 6.456 -6.256 1.00 0.00 O ATOM 1132 OE2 GLU A 79 11.780 5.112 -4.590 1.00 0.00 O ATOM 0 H GLU A 79 8.506 6.015 -2.536 1.00 0.00 H new ATOM 0 HA GLU A 79 8.139 8.834 -3.243 1.00 0.00 H new ATOM 0 HB2 GLU A 79 9.800 8.313 -4.991 1.00 0.00 H new ATOM 0 HB3 GLU A 79 10.336 7.692 -3.442 1.00 0.00 H new ATOM 0 HG2 GLU A 79 9.362 5.420 -4.084 1.00 0.00 H new ATOM 0 HG3 GLU A 79 9.003 6.069 -5.672 1.00 0.00 H new ATOM 1139 N THR A 80 6.788 6.452 -5.087 1.00 0.00 N ATOM 1140 CA THR A 80 5.761 6.227 -6.148 1.00 0.00 C ATOM 1141 C THR A 80 4.386 6.690 -5.652 1.00 0.00 C ATOM 1142 O THR A 80 3.518 7.032 -6.433 1.00 0.00 O ATOM 1143 CB THR A 80 5.699 4.737 -6.483 1.00 0.00 C ATOM 1144 OG1 THR A 80 7.007 4.262 -6.768 1.00 0.00 O ATOM 1145 CG2 THR A 80 4.798 4.520 -7.700 1.00 0.00 C ATOM 0 H THR A 80 7.184 5.603 -4.685 1.00 0.00 H new ATOM 0 HA THR A 80 6.033 6.797 -7.037 1.00 0.00 H new ATOM 0 HB THR A 80 5.291 4.191 -5.632 1.00 0.00 H new ATOM 0 HG1 THR A 80 7.445 3.991 -5.934 1.00 0.00 H new ATOM 0 HG21 THR A 80 4.756 3.457 -7.936 1.00 0.00 H new ATOM 0 HG22 THR A 80 3.794 4.883 -7.479 1.00 0.00 H new ATOM 0 HG23 THR A 80 5.201 5.066 -8.553 1.00 0.00 H new ATOM 1153 N MET A 81 4.180 6.688 -4.360 1.00 0.00 N ATOM 1154 CA MET A 81 2.860 7.113 -3.803 1.00 0.00 C ATOM 1155 C MET A 81 2.683 8.629 -3.947 1.00 0.00 C ATOM 1156 O MET A 81 1.668 9.096 -4.427 1.00 0.00 O ATOM 1157 CB MET A 81 2.793 6.739 -2.320 1.00 0.00 C ATOM 1158 CG MET A 81 2.168 5.351 -2.170 1.00 0.00 C ATOM 1159 SD MET A 81 2.304 4.813 -0.446 1.00 0.00 S ATOM 1160 CE MET A 81 2.408 3.036 -0.769 1.00 0.00 C ATOM 0 H MET A 81 4.872 6.409 -3.664 1.00 0.00 H new ATOM 0 HA MET A 81 2.066 6.608 -4.354 1.00 0.00 H new ATOM 0 HB2 MET A 81 3.793 6.748 -1.887 1.00 0.00 H new ATOM 0 HB3 MET A 81 2.203 7.476 -1.775 1.00 0.00 H new ATOM 0 HG2 MET A 81 1.121 5.377 -2.473 1.00 0.00 H new ATOM 0 HG3 MET A 81 2.672 4.640 -2.825 1.00 0.00 H new ATOM 0 HE1 MET A 81 3.202 2.602 -0.162 1.00 0.00 H new ATOM 0 HE2 MET A 81 1.459 2.564 -0.516 1.00 0.00 H new ATOM 0 HE3 MET A 81 2.626 2.870 -1.824 1.00 0.00 H new ATOM 1170 N LYS A 82 3.650 9.398 -3.513 1.00 0.00 N ATOM 1171 CA LYS A 82 3.529 10.886 -3.597 1.00 0.00 C ATOM 1172 C LYS A 82 3.669 11.365 -5.046 1.00 0.00 C ATOM 1173 O LYS A 82 3.195 12.430 -5.396 1.00 0.00 O ATOM 1174 CB LYS A 82 4.623 11.529 -2.744 1.00 0.00 C ATOM 1175 CG LYS A 82 4.429 11.125 -1.282 1.00 0.00 C ATOM 1176 CD LYS A 82 4.922 12.253 -0.372 1.00 0.00 C ATOM 1177 CE LYS A 82 6.447 12.370 -0.470 1.00 0.00 C ATOM 1178 NZ LYS A 82 7.018 12.538 0.895 1.00 0.00 N ATOM 0 H LYS A 82 4.520 9.059 -3.103 1.00 0.00 H new ATOM 0 HA LYS A 82 2.545 11.177 -3.230 1.00 0.00 H new ATOM 0 HB2 LYS A 82 5.606 11.212 -3.093 1.00 0.00 H new ATOM 0 HB3 LYS A 82 4.585 12.614 -2.841 1.00 0.00 H new ATOM 0 HG2 LYS A 82 3.377 10.919 -1.087 1.00 0.00 H new ATOM 0 HG3 LYS A 82 4.978 10.207 -1.071 1.00 0.00 H new ATOM 0 HD2 LYS A 82 4.456 13.195 -0.661 1.00 0.00 H new ATOM 0 HD3 LYS A 82 4.629 12.055 0.659 1.00 0.00 H new ATOM 0 HE2 LYS A 82 6.862 11.480 -0.943 1.00 0.00 H new ATOM 0 HE3 LYS A 82 6.718 13.219 -1.097 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 7.910 13.070 0.835 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 6.344 13.058 1.492 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 7.200 11.603 1.313 1.00 0.00 H new ATOM 1192 N SER A 83 4.319 10.600 -5.889 1.00 0.00 N ATOM 1193 CA SER A 83 4.490 11.028 -7.312 1.00 0.00 C ATOM 1194 C SER A 83 3.119 11.198 -7.972 1.00 0.00 C ATOM 1195 O SER A 83 2.782 12.265 -8.450 1.00 0.00 O ATOM 1196 CB SER A 83 5.292 9.971 -8.073 1.00 0.00 C ATOM 1197 OG SER A 83 4.978 8.685 -7.562 1.00 0.00 O ATOM 0 H SER A 83 4.737 9.700 -5.654 1.00 0.00 H new ATOM 0 HA SER A 83 5.023 11.979 -7.337 1.00 0.00 H new ATOM 0 HB2 SER A 83 5.060 10.019 -9.137 1.00 0.00 H new ATOM 0 HB3 SER A 83 6.360 10.165 -7.970 1.00 0.00 H new ATOM 0 HG SER A 83 4.096 8.709 -7.136 1.00 0.00 H new ATOM 1203 N GLU A 84 2.330 10.154 -8.001 1.00 0.00 N ATOM 1204 CA GLU A 84 0.980 10.248 -8.629 1.00 0.00 C ATOM 1205 C GLU A 84 0.045 11.050 -7.720 1.00 0.00 C ATOM 1206 O GLU A 84 -0.862 11.715 -8.185 1.00 0.00 O ATOM 1207 CB GLU A 84 0.413 8.842 -8.833 1.00 0.00 C ATOM 1208 CG GLU A 84 0.835 8.314 -10.207 1.00 0.00 C ATOM 1209 CD GLU A 84 -0.287 7.453 -10.790 1.00 0.00 C ATOM 1210 OE1 GLU A 84 -0.631 6.463 -10.167 1.00 0.00 O ATOM 1211 OE2 GLU A 84 -0.782 7.799 -11.850 1.00 0.00 O ATOM 0 H GLU A 84 2.564 9.239 -7.616 1.00 0.00 H new ATOM 0 HA GLU A 84 1.064 10.749 -9.593 1.00 0.00 H new ATOM 0 HB2 GLU A 84 0.774 8.176 -8.049 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -0.674 8.863 -8.758 1.00 0.00 H new ATOM 0 HG2 GLU A 84 1.054 9.146 -10.876 1.00 0.00 H new ATOM 0 HG3 GLU A 84 1.749 7.727 -10.118 1.00 0.00 H new ATOM 1218 N GLY A 85 0.259 10.991 -6.430 1.00 0.00 N ATOM 1219 CA GLY A 85 -0.613 11.746 -5.486 1.00 0.00 C ATOM 1220 C GLY A 85 -1.714 10.824 -4.963 1.00 0.00 C ATOM 1221 O GLY A 85 -2.875 10.985 -5.287 1.00 0.00 O ATOM 0 H GLY A 85 1.003 10.450 -5.990 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -0.021 12.131 -4.656 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -1.053 12.607 -5.990 1.00 0.00 H new ATOM 1225 N LEU A 86 -1.355 9.858 -4.157 1.00 0.00 N ATOM 1226 CA LEU A 86 -2.372 8.917 -3.605 1.00 0.00 C ATOM 1227 C LEU A 86 -2.519 9.154 -2.103 1.00 0.00 C ATOM 1228 O LEU A 86 -3.595 9.024 -1.547 1.00 0.00 O ATOM 1229 CB LEU A 86 -1.917 7.476 -3.848 1.00 0.00 C ATOM 1230 CG LEU A 86 -1.923 7.182 -5.348 1.00 0.00 C ATOM 1231 CD1 LEU A 86 -0.872 6.118 -5.664 1.00 0.00 C ATOM 1232 CD2 LEU A 86 -3.305 6.670 -5.760 1.00 0.00 C ATOM 0 H LEU A 86 -0.396 9.681 -3.857 1.00 0.00 H new ATOM 0 HA LEU A 86 -3.330 9.086 -4.098 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -0.917 7.327 -3.442 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -2.579 6.783 -3.329 1.00 0.00 H new ATOM 0 HG LEU A 86 -1.693 8.094 -5.898 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -0.877 5.909 -6.734 1.00 0.00 H new ATOM 0 HD12 LEU A 86 0.113 6.481 -5.369 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -1.102 5.205 -5.115 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -3.311 6.460 -6.830 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -3.534 5.757 -5.210 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -4.056 7.428 -5.535 1.00 0.00 H new ATOM 1244 N GLY A 87 -1.444 9.502 -1.442 1.00 0.00 N ATOM 1245 CA GLY A 87 -1.510 9.748 0.028 1.00 0.00 C ATOM 1246 C GLY A 87 -0.307 10.586 0.463 1.00 0.00 C ATOM 1247 O GLY A 87 0.420 11.117 -0.356 1.00 0.00 O ATOM 0 H GLY A 87 -0.522 9.626 -1.860 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -2.436 10.265 0.279 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -1.519 8.800 0.565 1.00 0.00 H new ATOM 1251 N GLU A 88 -0.096 10.708 1.748 1.00 0.00 N ATOM 1252 CA GLU A 88 1.058 11.511 2.251 1.00 0.00 C ATOM 1253 C GLU A 88 1.168 11.348 3.769 1.00 0.00 C ATOM 1254 O GLU A 88 0.139 11.191 4.405 1.00 0.00 O ATOM 1255 CB GLU A 88 0.839 12.986 1.910 1.00 0.00 C ATOM 1256 CG GLU A 88 -0.523 13.437 2.442 1.00 0.00 C ATOM 1257 CD GLU A 88 -0.847 14.831 1.903 1.00 0.00 C ATOM 1258 OE1 GLU A 88 -1.115 14.981 0.634 1.00 0.00 O ATOM 1259 OE2 GLU A 88 -0.856 15.794 2.643 1.00 0.00 O ATOM 1260 OXT GLU A 88 2.280 11.383 4.269 1.00 0.00 O ATOM 0 H GLU A 88 -0.675 10.285 2.473 1.00 0.00 H new ATOM 0 HA GLU A 88 1.977 11.162 1.781 1.00 0.00 H new ATOM 0 HB2 GLU A 88 1.631 13.593 2.348 1.00 0.00 H new ATOM 0 HB3 GLU A 88 0.886 13.131 0.831 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -1.295 12.730 2.139 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -0.513 13.451 3.532 1.00 0.00 H new TER 1267 GLU A 88