USER MOD reduce.3.24.130724 H: found=0, std=0, add=633, rem=0, adj=22 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 Single : A 3 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 4 LYS NZ :NH3+ -162:sc= 0 (180deg=-0.343) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 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 USER MOD Single : A 20 THR OG1 : rot 76:sc= 0.671 USER MOD Single : A 24 GLN : amide:sc= -0.202 K(o=-0.2,f=-1.4!) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0.00537 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 TYR OH : rot -39:sc= -2.3! USER MOD Single : A 34 ASN : amide:sc= -0.104 K(o=-0.1,f=-2.3!) USER MOD Single : A 37 TYR OH : rot 180:sc= -0.315 USER MOD Single : A 38 ASN : amide:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 40 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.000949) USER MOD Single : A 41 THR OG1 : rot -111:sc= 0.177 USER MOD Single : A 43 ASN :FLIP amide:sc= 0 F(o=-0.86,f=0) USER MOD Single : A 45 LYS NZ :NH3+ 163:sc= 0.00214 (180deg=0) USER MOD Single : A 46 SER OG : rot 180:sc= -0.0346 USER MOD Single : A 48 MET CE :methyl -173:sc= 0 (180deg=-0.0289) USER MOD Single : A 52 SER OG : rot 8:sc= -0.605 USER MOD Single : A 57 LYS NZ :NH3+ -129:sc= 0.306 (180deg=-0.059) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot 50:sc= 0.0127 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 71 ASN : amide:sc= -0.706 K(o=-0.71,f=-5.5!) USER MOD Single : A 75 ASN : amide:sc= -4.13 K(o=-4.1,f=-7.3!) USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 SER OG : rot -54:sc= 0.498 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 2 -5.675 -10.186 -10.166 1.00 0.00 N ATOM 2 CA ALA A 2 -5.962 -9.686 -8.791 1.00 0.00 C ATOM 3 C ALA A 2 -5.025 -8.520 -8.467 1.00 0.00 C ATOM 4 O ALA A 2 -3.888 -8.717 -8.082 1.00 0.00 O ATOM 5 CB ALA A 2 -5.743 -10.814 -7.781 1.00 0.00 C ATOM 0 HA ALA A 2 -6.996 -9.347 -8.736 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -5.953 -10.448 -6.776 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -6.411 -11.644 -8.012 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -4.709 -11.155 -7.835 1.00 0.00 H new ATOM 13 N GLN A 3 -5.497 -7.310 -8.621 1.00 0.00 N ATOM 14 CA GLN A 3 -4.643 -6.122 -8.325 1.00 0.00 C ATOM 15 C GLN A 3 -5.486 -4.851 -8.418 1.00 0.00 C ATOM 16 O GLN A 3 -6.475 -4.803 -9.125 1.00 0.00 O ATOM 17 CB GLN A 3 -3.496 -6.043 -9.336 1.00 0.00 C ATOM 18 CG GLN A 3 -4.052 -6.136 -10.760 1.00 0.00 C ATOM 19 CD GLN A 3 -2.900 -6.350 -11.744 1.00 0.00 C ATOM 20 OE1 GLN A 3 -2.194 -5.422 -12.081 1.00 0.00 O ATOM 21 NE2 GLN A 3 -2.679 -7.545 -12.219 1.00 0.00 N ATOM 0 H GLN A 3 -6.441 -7.093 -8.940 1.00 0.00 H new ATOM 0 HA GLN A 3 -4.233 -6.218 -7.319 1.00 0.00 H new ATOM 0 HB2 GLN A 3 -2.951 -5.108 -9.209 1.00 0.00 H new ATOM 0 HB3 GLN A 3 -2.787 -6.852 -9.159 1.00 0.00 H new ATOM 0 HG2 GLN A 3 -4.763 -6.959 -10.831 1.00 0.00 H new ATOM 0 HG3 GLN A 3 -4.594 -5.224 -11.011 1.00 0.00 H new ATOM 0 HE21 GLN A 3 -3.273 -8.324 -11.935 1.00 0.00 H new ATOM 0 HE22 GLN A 3 -1.913 -7.700 -12.874 1.00 0.00 H new ATOM 30 N LYS A 4 -5.097 -3.822 -7.710 1.00 0.00 N ATOM 31 CA LYS A 4 -5.870 -2.546 -7.754 1.00 0.00 C ATOM 32 C LYS A 4 -4.910 -1.360 -7.653 1.00 0.00 C ATOM 33 O LYS A 4 -3.879 -1.439 -7.013 1.00 0.00 O ATOM 34 CB LYS A 4 -6.857 -2.503 -6.585 1.00 0.00 C ATOM 35 CG LYS A 4 -8.073 -1.653 -6.970 1.00 0.00 C ATOM 36 CD LYS A 4 -8.515 -0.809 -5.771 1.00 0.00 C ATOM 37 CE LYS A 4 -9.934 -0.288 -6.010 1.00 0.00 C ATOM 38 NZ LYS A 4 -9.990 0.423 -7.318 1.00 0.00 N ATOM 0 H LYS A 4 -4.277 -3.811 -7.103 1.00 0.00 H new ATOM 0 HA LYS A 4 -6.418 -2.490 -8.694 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -7.174 -3.513 -6.326 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -6.373 -2.085 -5.702 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -7.824 -1.005 -7.811 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -8.890 -2.297 -7.295 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -8.484 -1.407 -4.860 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -7.829 0.026 -5.627 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -10.642 -1.116 -6.004 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -10.225 0.387 -5.205 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -10.836 1.027 -7.349 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -9.140 1.011 -7.430 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -10.034 -0.273 -8.090 1.00 0.00 H new ATOM 52 N THR A 5 -5.248 -0.263 -8.279 1.00 0.00 N ATOM 53 CA THR A 5 -4.366 0.938 -8.225 1.00 0.00 C ATOM 54 C THR A 5 -4.802 1.838 -7.068 1.00 0.00 C ATOM 55 O THR A 5 -5.922 1.758 -6.598 1.00 0.00 O ATOM 56 CB THR A 5 -4.475 1.712 -9.541 1.00 0.00 C ATOM 57 OG1 THR A 5 -4.221 0.832 -10.628 1.00 0.00 O ATOM 58 CG2 THR A 5 -3.452 2.848 -9.554 1.00 0.00 C ATOM 0 H THR A 5 -6.100 -0.148 -8.827 1.00 0.00 H new ATOM 0 HA THR A 5 -3.333 0.623 -8.073 1.00 0.00 H new ATOM 0 HB THR A 5 -5.478 2.128 -9.635 1.00 0.00 H new ATOM 0 HG1 THR A 5 -4.292 1.325 -11.472 1.00 0.00 H new ATOM 0 HG21 THR A 5 -3.531 3.398 -10.492 1.00 0.00 H new ATOM 0 HG22 THR A 5 -3.647 3.522 -8.720 1.00 0.00 H new ATOM 0 HG23 THR A 5 -2.448 2.435 -9.459 1.00 0.00 H new ATOM 66 N PHE A 6 -3.925 2.692 -6.607 1.00 0.00 N ATOM 67 CA PHE A 6 -4.276 3.602 -5.480 1.00 0.00 C ATOM 68 C PHE A 6 -3.616 4.963 -5.709 1.00 0.00 C ATOM 69 O PHE A 6 -2.823 5.132 -6.617 1.00 0.00 O ATOM 70 CB PHE A 6 -3.771 3.006 -4.164 1.00 0.00 C ATOM 71 CG PHE A 6 -4.586 1.785 -3.810 1.00 0.00 C ATOM 72 CD1 PHE A 6 -4.298 0.553 -4.408 1.00 0.00 C ATOM 73 CD2 PHE A 6 -5.629 1.885 -2.880 1.00 0.00 C ATOM 74 CE1 PHE A 6 -5.053 -0.579 -4.077 1.00 0.00 C ATOM 75 CE2 PHE A 6 -6.382 0.752 -2.550 1.00 0.00 C ATOM 76 CZ PHE A 6 -6.095 -0.480 -3.147 1.00 0.00 C ATOM 0 H PHE A 6 -2.976 2.797 -6.966 1.00 0.00 H new ATOM 0 HA PHE A 6 -5.358 3.722 -5.430 1.00 0.00 H new ATOM 0 HB2 PHE A 6 -2.718 2.738 -4.256 1.00 0.00 H new ATOM 0 HB3 PHE A 6 -3.843 3.746 -3.367 1.00 0.00 H new ATOM 0 HD1 PHE A 6 -3.494 0.475 -5.125 1.00 0.00 H new ATOM 0 HD2 PHE A 6 -5.852 2.835 -2.418 1.00 0.00 H new ATOM 0 HE1 PHE A 6 -4.831 -1.529 -4.540 1.00 0.00 H new ATOM 0 HE2 PHE A 6 -7.186 0.829 -1.833 1.00 0.00 H new ATOM 0 HZ PHE A 6 -6.676 -1.354 -2.891 1.00 0.00 H new ATOM 86 N LYS A 7 -3.937 5.932 -4.890 1.00 0.00 N ATOM 87 CA LYS A 7 -3.333 7.286 -5.050 1.00 0.00 C ATOM 88 C LYS A 7 -2.933 7.826 -3.676 1.00 0.00 C ATOM 89 O LYS A 7 -3.750 7.938 -2.781 1.00 0.00 O ATOM 90 CB LYS A 7 -4.355 8.230 -5.697 1.00 0.00 C ATOM 91 CG LYS A 7 -4.045 8.381 -7.188 1.00 0.00 C ATOM 92 CD LYS A 7 -3.118 9.580 -7.398 1.00 0.00 C ATOM 93 CE LYS A 7 -3.956 10.840 -7.622 1.00 0.00 C ATOM 94 NZ LYS A 7 -3.053 12.015 -7.783 1.00 0.00 N ATOM 0 H LYS A 7 -4.594 5.842 -4.115 1.00 0.00 H new ATOM 0 HA LYS A 7 -2.451 7.220 -5.686 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -5.363 7.837 -5.563 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -4.325 9.204 -5.209 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -3.574 7.473 -7.566 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -4.969 8.519 -7.750 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -2.472 9.710 -6.530 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -2.468 9.405 -8.256 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -4.579 10.722 -8.509 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -4.628 10.997 -6.779 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -3.622 12.872 -7.935 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -2.477 12.130 -6.925 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -2.429 11.864 -8.601 1.00 0.00 H new ATOM 108 N VAL A 8 -1.679 8.158 -3.507 1.00 0.00 N ATOM 109 CA VAL A 8 -1.210 8.692 -2.197 1.00 0.00 C ATOM 110 C VAL A 8 -1.681 10.140 -2.043 1.00 0.00 C ATOM 111 O VAL A 8 -1.223 11.026 -2.739 1.00 0.00 O ATOM 112 CB VAL A 8 0.320 8.645 -2.137 1.00 0.00 C ATOM 113 CG1 VAL A 8 0.785 8.981 -0.720 1.00 0.00 C ATOM 114 CG2 VAL A 8 0.808 7.241 -2.508 1.00 0.00 C ATOM 0 H VAL A 8 -0.958 8.081 -4.224 1.00 0.00 H new ATOM 0 HA VAL A 8 -1.621 8.084 -1.391 1.00 0.00 H new ATOM 0 HB VAL A 8 0.730 9.370 -2.840 1.00 0.00 H new ATOM 0 HG11 VAL A 8 1.874 8.948 -0.677 1.00 0.00 H new ATOM 0 HG12 VAL A 8 0.442 9.980 -0.452 1.00 0.00 H new ATOM 0 HG13 VAL A 8 0.372 8.255 -0.020 1.00 0.00 H new ATOM 0 HG21 VAL A 8 1.897 7.211 -2.464 1.00 0.00 H new ATOM 0 HG22 VAL A 8 0.397 6.516 -1.806 1.00 0.00 H new ATOM 0 HG23 VAL A 8 0.478 6.996 -3.518 1.00 0.00 H new ATOM 124 N THR A 9 -2.596 10.379 -1.138 1.00 0.00 N ATOM 125 CA THR A 9 -3.110 11.764 -0.931 1.00 0.00 C ATOM 126 C THR A 9 -2.663 12.298 0.438 1.00 0.00 C ATOM 127 O THR A 9 -2.708 13.489 0.684 1.00 0.00 O ATOM 128 CB THR A 9 -4.639 11.752 -0.997 1.00 0.00 C ATOM 129 OG1 THR A 9 -5.058 10.901 -2.054 1.00 0.00 O ATOM 130 CG2 THR A 9 -5.153 13.171 -1.248 1.00 0.00 C ATOM 0 H THR A 9 -3.010 9.671 -0.532 1.00 0.00 H new ATOM 0 HA THR A 9 -2.710 12.412 -1.711 1.00 0.00 H new ATOM 0 HB THR A 9 -5.041 11.385 -0.053 1.00 0.00 H new ATOM 0 HG1 THR A 9 -6.037 10.890 -2.097 1.00 0.00 H new ATOM 0 HG21 THR A 9 -6.242 13.161 -1.295 1.00 0.00 H new ATOM 0 HG22 THR A 9 -4.831 13.824 -0.437 1.00 0.00 H new ATOM 0 HG23 THR A 9 -4.753 13.541 -2.192 1.00 0.00 H new ATOM 138 N ALA A 10 -2.232 11.434 1.329 1.00 0.00 N ATOM 139 CA ALA A 10 -1.787 11.898 2.679 1.00 0.00 C ATOM 140 C ALA A 10 -0.633 12.894 2.532 1.00 0.00 C ATOM 141 O ALA A 10 0.246 12.721 1.709 1.00 0.00 O ATOM 142 CB ALA A 10 -1.320 10.696 3.502 1.00 0.00 C ATOM 0 H ALA A 10 -2.170 10.427 1.177 1.00 0.00 H new ATOM 0 HA ALA A 10 -2.621 12.386 3.184 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -0.995 11.033 4.486 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -2.143 9.990 3.613 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -0.489 10.208 2.993 1.00 0.00 H new ATOM 148 N ASP A 11 -0.633 13.934 3.327 1.00 0.00 N ATOM 149 CA ASP A 11 0.457 14.949 3.244 1.00 0.00 C ATOM 150 C ASP A 11 1.783 14.311 3.664 1.00 0.00 C ATOM 151 O ASP A 11 2.808 14.528 3.045 1.00 0.00 O ATOM 152 CB ASP A 11 0.134 16.121 4.178 1.00 0.00 C ATOM 153 CG ASP A 11 0.594 17.430 3.535 1.00 0.00 C ATOM 154 OD1 ASP A 11 0.083 17.761 2.477 1.00 0.00 O ATOM 155 OD2 ASP A 11 1.450 18.082 4.111 1.00 0.00 O ATOM 0 H ASP A 11 -1.345 14.123 4.033 1.00 0.00 H new ATOM 0 HA ASP A 11 0.539 15.312 2.219 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -0.937 16.158 4.375 1.00 0.00 H new ATOM 0 HB3 ASP A 11 0.630 15.982 5.138 1.00 0.00 H new ATOM 160 N SER A 12 1.767 13.526 4.710 1.00 0.00 N ATOM 161 CA SER A 12 3.022 12.868 5.180 1.00 0.00 C ATOM 162 C SER A 12 3.540 11.920 4.097 1.00 0.00 C ATOM 163 O SER A 12 4.730 11.692 3.978 1.00 0.00 O ATOM 164 CB SER A 12 2.734 12.075 6.455 1.00 0.00 C ATOM 165 OG SER A 12 1.788 11.054 6.169 1.00 0.00 O ATOM 0 H SER A 12 0.936 13.312 5.261 1.00 0.00 H new ATOM 0 HA SER A 12 3.775 13.629 5.386 1.00 0.00 H new ATOM 0 HB2 SER A 12 3.655 11.636 6.840 1.00 0.00 H new ATOM 0 HB3 SER A 12 2.348 12.738 7.230 1.00 0.00 H new ATOM 0 HG SER A 12 1.602 10.542 6.984 1.00 0.00 H new ATOM 171 N GLY A 13 2.655 11.365 3.307 1.00 0.00 N ATOM 172 CA GLY A 13 3.087 10.427 2.229 1.00 0.00 C ATOM 173 C GLY A 13 3.077 8.995 2.767 1.00 0.00 C ATOM 174 O GLY A 13 2.390 8.689 3.723 1.00 0.00 O ATOM 0 H GLY A 13 1.649 11.523 3.364 1.00 0.00 H new ATOM 0 HA2 GLY A 13 2.420 10.509 1.371 1.00 0.00 H new ATOM 0 HA3 GLY A 13 4.086 10.690 1.882 1.00 0.00 H new ATOM 178 N ILE A 14 3.835 8.118 2.158 1.00 0.00 N ATOM 179 CA ILE A 14 3.875 6.702 2.630 1.00 0.00 C ATOM 180 C ILE A 14 5.212 6.430 3.326 1.00 0.00 C ATOM 181 O ILE A 14 6.109 5.837 2.754 1.00 0.00 O ATOM 182 CB ILE A 14 3.716 5.757 1.434 1.00 0.00 C ATOM 183 CG1 ILE A 14 2.434 6.108 0.673 1.00 0.00 C ATOM 184 CG2 ILE A 14 3.632 4.310 1.931 1.00 0.00 C ATOM 185 CD1 ILE A 14 2.336 5.251 -0.593 1.00 0.00 C ATOM 0 H ILE A 14 4.428 8.323 1.354 1.00 0.00 H new ATOM 0 HA ILE A 14 3.061 6.533 3.334 1.00 0.00 H new ATOM 0 HB ILE A 14 4.575 5.864 0.772 1.00 0.00 H new ATOM 0 HG12 ILE A 14 1.564 5.938 1.308 1.00 0.00 H new ATOM 0 HG13 ILE A 14 2.434 7.166 0.409 1.00 0.00 H new ATOM 0 HG21 ILE A 14 3.519 3.639 1.080 1.00 0.00 H new ATOM 0 HG22 ILE A 14 4.543 4.058 2.473 1.00 0.00 H new ATOM 0 HG23 ILE A 14 2.774 4.202 2.594 1.00 0.00 H new ATOM 0 HD11 ILE A 14 1.423 5.502 -1.133 1.00 0.00 H new ATOM 0 HD12 ILE A 14 3.199 5.443 -1.230 1.00 0.00 H new ATOM 0 HD13 ILE A 14 2.316 4.196 -0.318 1.00 0.00 H new HETATM 197 N HIP A 15 5.349 6.853 4.558 1.00 0.00 N HETATM 198 CA HIP A 15 6.621 6.613 5.296 1.00 0.00 C HETATM 199 CB HIP A 15 7.084 7.902 6.008 1.00 0.00 C HETATM 200 CG HIP A 15 6.121 8.340 7.084 1.00 0.00 C HETATM 201 CD2 HIP A 15 4.810 8.737 7.024 1.00 0.00 C HETATM 202 NE2 HIP A 15 4.370 9.090 8.288 1.00 0.00 N HETATM 203 CE1 HIP A 15 5.412 8.908 9.095 1.00 0.00 C HETATM 204 ND1 HIP A 15 6.495 8.460 8.428 1.00 0.00 N HETATM 205 P HIP A 15 7.887 8.588 8.926 1.00 0.00 P HETATM 206 O1P HIP A 15 7.908 9.409 10.157 1.00 0.00 O HETATM 207 O2P HIP A 15 8.752 9.200 7.893 1.00 0.00 O HETATM 208 O3P HIP A 15 8.251 7.181 9.200 1.00 0.00 O HETATM 209 C HIP A 15 6.429 5.453 6.283 1.00 0.00 C HETATM 210 O HIP A 15 5.556 4.627 6.108 1.00 0.00 O HETATM 0 HE2 HIP A 15 3.440 9.421 8.547 1.00 0.00 H new HETATM 0 HE1 HIP A 15 5.393 9.098 10.168 1.00 0.00 H new HETATM 0 HD2 HIP A 15 4.205 8.770 6.118 1.00 0.00 H new HETATM 0 HB3 HIP A 15 8.067 7.738 6.449 1.00 0.00 H new HETATM 0 HB2 HIP A 15 7.193 8.701 5.274 1.00 0.00 H new HETATM 0 HA HIP A 15 7.406 6.335 4.592 1.00 0.00 H new HETATM 0 H HIP A 15 4.915 7.776 4.577 1.00 0.00 H new ATOM 218 N ALA A 16 7.261 5.358 7.285 1.00 0.00 N ATOM 219 CA ALA A 16 7.165 4.225 8.262 1.00 0.00 C ATOM 220 C ALA A 16 5.760 4.102 8.879 1.00 0.00 C ATOM 221 O ALA A 16 5.265 3.007 9.061 1.00 0.00 O ATOM 222 CB ALA A 16 8.185 4.440 9.380 1.00 0.00 C ATOM 0 H ALA A 16 8.012 6.022 7.474 1.00 0.00 H new ATOM 0 HA ALA A 16 7.370 3.302 7.719 1.00 0.00 H new ATOM 0 HB1 ALA A 16 8.120 3.619 10.094 1.00 0.00 H new ATOM 0 HB2 ALA A 16 9.188 4.474 8.956 1.00 0.00 H new ATOM 0 HB3 ALA A 16 7.975 5.381 9.889 1.00 0.00 H new ATOM 228 N ARG A 17 5.126 5.195 9.235 1.00 0.00 N ATOM 229 CA ARG A 17 3.767 5.105 9.875 1.00 0.00 C ATOM 230 C ARG A 17 2.787 4.310 8.984 1.00 0.00 C ATOM 231 O ARG A 17 2.286 3.286 9.411 1.00 0.00 O ATOM 232 CB ARG A 17 3.218 6.511 10.132 1.00 0.00 C ATOM 233 CG ARG A 17 3.564 6.957 11.561 1.00 0.00 C ATOM 234 CD ARG A 17 2.289 7.043 12.404 1.00 0.00 C ATOM 235 NE ARG A 17 1.795 5.668 12.699 1.00 0.00 N ATOM 236 CZ ARG A 17 0.813 5.494 13.542 1.00 0.00 C ATOM 237 NH1 ARG A 17 1.052 5.456 14.824 1.00 0.00 N ATOM 238 NH2 ARG A 17 -0.408 5.357 13.102 1.00 0.00 N ATOM 0 H ARG A 17 5.485 6.142 9.112 1.00 0.00 H new ATOM 0 HA ARG A 17 3.869 4.578 10.824 1.00 0.00 H new ATOM 0 HB2 ARG A 17 3.639 7.212 9.411 1.00 0.00 H new ATOM 0 HB3 ARG A 17 2.137 6.520 9.991 1.00 0.00 H new ATOM 0 HG2 ARG A 17 4.262 6.252 12.012 1.00 0.00 H new ATOM 0 HG3 ARG A 17 4.061 7.927 11.538 1.00 0.00 H new ATOM 0 HD2 ARG A 17 2.490 7.576 13.333 1.00 0.00 H new ATOM 0 HD3 ARG A 17 1.525 7.609 11.871 1.00 0.00 H new ATOM 0 HE ARG A 17 2.224 4.863 12.242 1.00 0.00 H new ATOM 0 HH11 ARG A 17 2.006 5.562 15.168 1.00 0.00 H new ATOM 0 HH12 ARG A 17 0.285 5.320 15.482 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -0.595 5.386 12.100 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -1.175 5.221 13.760 1.00 0.00 H new ATOM 252 N PRO A 18 2.530 4.777 7.772 1.00 0.00 N ATOM 253 CA PRO A 18 1.607 4.075 6.857 1.00 0.00 C ATOM 254 C PRO A 18 2.214 2.752 6.368 1.00 0.00 C ATOM 255 O PRO A 18 1.514 1.902 5.848 1.00 0.00 O ATOM 256 CB PRO A 18 1.413 5.061 5.701 1.00 0.00 C ATOM 257 CG PRO A 18 2.628 6.012 5.739 1.00 0.00 C ATOM 258 CD PRO A 18 3.122 6.010 7.195 1.00 0.00 C ATOM 0 HA PRO A 18 0.666 3.804 7.335 1.00 0.00 H new ATOM 0 HB2 PRO A 18 1.359 4.537 4.747 1.00 0.00 H new ATOM 0 HB3 PRO A 18 0.481 5.615 5.814 1.00 0.00 H new ATOM 0 HG2 PRO A 18 3.411 5.672 5.061 1.00 0.00 H new ATOM 0 HG3 PRO A 18 2.347 7.017 5.424 1.00 0.00 H new ATOM 0 HD2 PRO A 18 4.211 5.993 7.247 1.00 0.00 H new ATOM 0 HD3 PRO A 18 2.791 6.900 7.730 1.00 0.00 H new ATOM 266 N ALA A 19 3.500 2.563 6.545 1.00 0.00 N ATOM 267 CA ALA A 19 4.138 1.288 6.105 1.00 0.00 C ATOM 268 C ALA A 19 3.889 0.208 7.164 1.00 0.00 C ATOM 269 O ALA A 19 3.909 -0.972 6.871 1.00 0.00 O ATOM 270 CB ALA A 19 5.642 1.497 5.931 1.00 0.00 C ATOM 0 H ALA A 19 4.133 3.238 6.975 1.00 0.00 H new ATOM 0 HA ALA A 19 3.708 0.975 5.154 1.00 0.00 H new ATOM 0 HB1 ALA A 19 6.104 0.564 5.610 1.00 0.00 H new ATOM 0 HB2 ALA A 19 5.818 2.267 5.179 1.00 0.00 H new ATOM 0 HB3 ALA A 19 6.078 1.810 6.880 1.00 0.00 H new ATOM 276 N THR A 20 3.648 0.605 8.392 1.00 0.00 N ATOM 277 CA THR A 20 3.386 -0.389 9.470 1.00 0.00 C ATOM 278 C THR A 20 1.908 -0.786 9.440 1.00 0.00 C ATOM 279 O THR A 20 1.543 -1.893 9.790 1.00 0.00 O ATOM 280 CB THR A 20 3.718 0.230 10.829 1.00 0.00 C ATOM 281 OG1 THR A 20 4.766 1.177 10.673 1.00 0.00 O ATOM 282 CG2 THR A 20 4.159 -0.867 11.800 1.00 0.00 C ATOM 0 H THR A 20 3.623 1.580 8.690 1.00 0.00 H new ATOM 0 HA THR A 20 4.007 -1.271 9.313 1.00 0.00 H new ATOM 0 HB THR A 20 2.834 0.728 11.227 1.00 0.00 H new ATOM 0 HG1 THR A 20 4.409 1.997 10.271 1.00 0.00 H new ATOM 0 HG21 THR A 20 4.395 -0.423 12.767 1.00 0.00 H new ATOM 0 HG22 THR A 20 3.354 -1.592 11.920 1.00 0.00 H new ATOM 0 HG23 THR A 20 5.043 -1.368 11.406 1.00 0.00 H new ATOM 290 N VAL A 21 1.056 0.115 9.018 1.00 0.00 N ATOM 291 CA VAL A 21 -0.404 -0.192 8.955 1.00 0.00 C ATOM 292 C VAL A 21 -0.674 -1.116 7.773 1.00 0.00 C ATOM 293 O VAL A 21 -1.521 -1.987 7.825 1.00 0.00 O ATOM 294 CB VAL A 21 -1.192 1.100 8.756 1.00 0.00 C ATOM 295 CG1 VAL A 21 -2.686 0.821 8.933 1.00 0.00 C ATOM 296 CG2 VAL A 21 -0.747 2.148 9.781 1.00 0.00 C ATOM 0 H VAL A 21 1.312 1.054 8.713 1.00 0.00 H new ATOM 0 HA VAL A 21 -0.710 -0.672 9.885 1.00 0.00 H new ATOM 0 HB VAL A 21 -1.006 1.479 7.751 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -3.248 1.744 8.791 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -3.008 0.083 8.198 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -2.868 0.437 9.937 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -1.314 3.067 9.632 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -0.925 1.771 10.788 1.00 0.00 H new ATOM 0 HG23 VAL A 21 0.316 2.353 9.654 1.00 0.00 H new ATOM 306 N LEU A 22 0.039 -0.911 6.701 1.00 0.00 N ATOM 307 CA LEU A 22 -0.159 -1.743 5.488 1.00 0.00 C ATOM 308 C LEU A 22 0.521 -3.102 5.658 1.00 0.00 C ATOM 309 O LEU A 22 -0.037 -4.124 5.316 1.00 0.00 O ATOM 310 CB LEU A 22 0.450 -1.009 4.297 1.00 0.00 C ATOM 311 CG LEU A 22 -0.338 0.273 4.035 1.00 0.00 C ATOM 312 CD1 LEU A 22 0.370 1.086 2.949 1.00 0.00 C ATOM 313 CD2 LEU A 22 -1.749 -0.085 3.562 1.00 0.00 C ATOM 0 H LEU A 22 0.758 -0.193 6.616 1.00 0.00 H new ATOM 0 HA LEU A 22 -1.224 -1.910 5.327 1.00 0.00 H new ATOM 0 HB2 LEU A 22 1.495 -0.772 4.497 1.00 0.00 H new ATOM 0 HB3 LEU A 22 0.431 -1.648 3.414 1.00 0.00 H new ATOM 0 HG LEU A 22 -0.399 0.859 4.952 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -0.189 2.002 2.758 1.00 0.00 H new ATOM 0 HD12 LEU A 22 1.377 1.338 3.281 1.00 0.00 H new ATOM 0 HD13 LEU A 22 0.426 0.498 2.033 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -2.313 0.829 3.375 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -1.688 -0.668 2.643 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -2.253 -0.671 4.331 1.00 0.00 H new ATOM 325 N VAL A 23 1.726 -3.125 6.174 1.00 0.00 N ATOM 326 CA VAL A 23 2.442 -4.426 6.355 1.00 0.00 C ATOM 327 C VAL A 23 1.629 -5.343 7.281 1.00 0.00 C ATOM 328 O VAL A 23 1.683 -6.553 7.172 1.00 0.00 O ATOM 329 CB VAL A 23 3.836 -4.165 6.953 1.00 0.00 C ATOM 330 CG1 VAL A 23 3.700 -3.510 8.330 1.00 0.00 C ATOM 331 CG2 VAL A 23 4.594 -5.489 7.097 1.00 0.00 C ATOM 0 H VAL A 23 2.244 -2.300 6.477 1.00 0.00 H new ATOM 0 HA VAL A 23 2.555 -4.917 5.389 1.00 0.00 H new ATOM 0 HB VAL A 23 4.386 -3.499 6.288 1.00 0.00 H new ATOM 0 HG11 VAL A 23 4.691 -3.329 8.746 1.00 0.00 H new ATOM 0 HG12 VAL A 23 3.169 -2.563 8.232 1.00 0.00 H new ATOM 0 HG13 VAL A 23 3.143 -4.171 8.994 1.00 0.00 H new ATOM 0 HG21 VAL A 23 5.580 -5.299 7.521 1.00 0.00 H new ATOM 0 HG22 VAL A 23 4.038 -6.157 7.756 1.00 0.00 H new ATOM 0 HG23 VAL A 23 4.703 -5.954 6.117 1.00 0.00 H new ATOM 341 N GLN A 24 0.885 -4.771 8.193 1.00 0.00 N ATOM 342 CA GLN A 24 0.073 -5.600 9.135 1.00 0.00 C ATOM 343 C GLN A 24 -1.144 -6.184 8.407 1.00 0.00 C ATOM 344 O GLN A 24 -1.489 -7.336 8.593 1.00 0.00 O ATOM 345 CB GLN A 24 -0.402 -4.727 10.300 1.00 0.00 C ATOM 346 CG GLN A 24 0.792 -4.327 11.174 1.00 0.00 C ATOM 347 CD GLN A 24 0.748 -5.093 12.499 1.00 0.00 C ATOM 348 OE1 GLN A 24 0.149 -6.147 12.585 1.00 0.00 O ATOM 349 NE2 GLN A 24 1.361 -4.604 13.543 1.00 0.00 N ATOM 0 H GLN A 24 0.805 -3.763 8.326 1.00 0.00 H new ATOM 0 HA GLN A 24 0.688 -6.417 9.513 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -0.899 -3.835 9.918 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -1.135 -5.270 10.897 1.00 0.00 H new ATOM 0 HG2 GLN A 24 1.724 -4.541 10.651 1.00 0.00 H new ATOM 0 HG3 GLN A 24 0.772 -3.254 11.364 1.00 0.00 H new ATOM 0 HE21 GLN A 24 1.864 -3.719 13.471 1.00 0.00 H new ATOM 0 HE22 GLN A 24 1.337 -5.107 14.430 1.00 0.00 H new ATOM 358 N THR A 25 -1.799 -5.397 7.591 1.00 0.00 N ATOM 359 CA THR A 25 -3.002 -5.900 6.859 1.00 0.00 C ATOM 360 C THR A 25 -2.598 -7.001 5.873 1.00 0.00 C ATOM 361 O THR A 25 -3.046 -8.126 5.969 1.00 0.00 O ATOM 362 CB THR A 25 -3.652 -4.746 6.093 1.00 0.00 C ATOM 363 OG1 THR A 25 -3.612 -3.570 6.891 1.00 0.00 O ATOM 364 CG2 THR A 25 -5.106 -5.098 5.775 1.00 0.00 C ATOM 0 H THR A 25 -1.552 -4.426 7.400 1.00 0.00 H new ATOM 0 HA THR A 25 -3.710 -6.309 7.579 1.00 0.00 H new ATOM 0 HB THR A 25 -3.110 -4.575 5.163 1.00 0.00 H new ATOM 0 HG1 THR A 25 -4.026 -2.829 6.402 1.00 0.00 H new ATOM 0 HG21 THR A 25 -5.568 -4.276 5.229 1.00 0.00 H new ATOM 0 HG22 THR A 25 -5.137 -6.001 5.165 1.00 0.00 H new ATOM 0 HG23 THR A 25 -5.650 -5.269 6.704 1.00 0.00 H new ATOM 372 N ALA A 26 -1.761 -6.678 4.919 1.00 0.00 N ATOM 373 CA ALA A 26 -1.325 -7.691 3.911 1.00 0.00 C ATOM 374 C ALA A 26 -0.647 -8.876 4.607 1.00 0.00 C ATOM 375 O ALA A 26 -0.630 -9.978 4.089 1.00 0.00 O ATOM 376 CB ALA A 26 -0.340 -7.044 2.936 1.00 0.00 C ATOM 0 H ALA A 26 -1.359 -5.749 4.795 1.00 0.00 H new ATOM 0 HA ALA A 26 -2.200 -8.052 3.370 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -0.020 -7.781 2.199 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -0.825 -6.210 2.428 1.00 0.00 H new ATOM 0 HB3 ALA A 26 0.528 -6.679 3.485 1.00 0.00 H new ATOM 382 N SER A 27 -0.090 -8.664 5.777 1.00 0.00 N ATOM 383 CA SER A 27 0.583 -9.784 6.505 1.00 0.00 C ATOM 384 C SER A 27 -0.443 -10.883 6.795 1.00 0.00 C ATOM 385 O SER A 27 -0.150 -12.060 6.696 1.00 0.00 O ATOM 386 CB SER A 27 1.165 -9.263 7.821 1.00 0.00 C ATOM 387 OG SER A 27 1.472 -10.360 8.673 1.00 0.00 O ATOM 0 H SER A 27 -0.073 -7.764 6.257 1.00 0.00 H new ATOM 0 HA SER A 27 1.389 -10.189 5.892 1.00 0.00 H new ATOM 0 HB2 SER A 27 2.064 -8.678 7.627 1.00 0.00 H new ATOM 0 HB3 SER A 27 0.451 -8.599 8.309 1.00 0.00 H new ATOM 0 HG SER A 27 1.846 -10.026 9.515 1.00 0.00 H new ATOM 393 N LYS A 28 -1.644 -10.500 7.141 1.00 0.00 N ATOM 394 CA LYS A 28 -2.705 -11.506 7.428 1.00 0.00 C ATOM 395 C LYS A 28 -3.063 -12.248 6.137 1.00 0.00 C ATOM 396 O LYS A 28 -3.490 -13.388 6.168 1.00 0.00 O ATOM 397 CB LYS A 28 -3.952 -10.798 7.973 1.00 0.00 C ATOM 398 CG LYS A 28 -3.578 -9.879 9.147 1.00 0.00 C ATOM 399 CD LYS A 28 -2.921 -10.696 10.267 1.00 0.00 C ATOM 400 CE LYS A 28 -3.434 -10.223 11.632 1.00 0.00 C ATOM 401 NZ LYS A 28 -2.279 -10.033 12.554 1.00 0.00 N ATOM 0 H LYS A 28 -1.936 -9.527 7.237 1.00 0.00 H new ATOM 0 HA LYS A 28 -2.340 -12.217 8.170 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -4.421 -10.214 7.181 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -4.683 -11.537 8.300 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -2.896 -9.100 8.806 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -4.469 -9.379 9.526 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -3.142 -11.755 10.133 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -1.837 -10.588 10.219 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -3.984 -9.288 11.523 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -4.128 -10.955 12.046 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -2.624 -9.712 13.481 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -1.772 -10.934 12.666 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -1.633 -9.320 12.159 1.00 0.00 H new ATOM 415 N TYR A 29 -2.892 -11.610 5.004 1.00 0.00 N ATOM 416 CA TYR A 29 -3.222 -12.275 3.709 1.00 0.00 C ATOM 417 C TYR A 29 -1.989 -13.015 3.189 1.00 0.00 C ATOM 418 O TYR A 29 -0.957 -12.423 2.939 1.00 0.00 O ATOM 419 CB TYR A 29 -3.659 -11.222 2.688 1.00 0.00 C ATOM 420 CG TYR A 29 -4.935 -10.571 3.163 1.00 0.00 C ATOM 421 CD1 TYR A 29 -6.167 -11.188 2.915 1.00 0.00 C ATOM 422 CD2 TYR A 29 -4.886 -9.356 3.856 1.00 0.00 C ATOM 423 CE1 TYR A 29 -7.351 -10.589 3.359 1.00 0.00 C ATOM 424 CE2 TYR A 29 -6.071 -8.758 4.301 1.00 0.00 C ATOM 425 CZ TYR A 29 -7.304 -9.374 4.052 1.00 0.00 C ATOM 426 OH TYR A 29 -8.471 -8.785 4.491 1.00 0.00 O ATOM 0 H TYR A 29 -2.538 -10.657 4.923 1.00 0.00 H new ATOM 0 HA TYR A 29 -4.034 -12.986 3.862 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -2.878 -10.472 2.564 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -3.814 -11.685 1.713 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -6.204 -12.126 2.381 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -3.935 -8.880 4.047 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -8.302 -11.064 3.167 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -6.034 -7.821 4.837 1.00 0.00 H new ATOM 0 HH TYR A 29 -9.170 -8.899 3.813 1.00 0.00 H new ATOM 436 N ASP A 30 -2.097 -14.308 3.029 1.00 0.00 N ATOM 437 CA ASP A 30 -0.940 -15.108 2.529 1.00 0.00 C ATOM 438 C ASP A 30 -0.604 -14.712 1.085 1.00 0.00 C ATOM 439 O ASP A 30 0.459 -15.028 0.584 1.00 0.00 O ATOM 440 CB ASP A 30 -1.297 -16.596 2.574 1.00 0.00 C ATOM 441 CG ASP A 30 -1.556 -17.014 4.022 1.00 0.00 C ATOM 442 OD1 ASP A 30 -0.678 -16.810 4.843 1.00 0.00 O ATOM 443 OD2 ASP A 30 -2.629 -17.532 4.285 1.00 0.00 O ATOM 0 H ASP A 30 -2.941 -14.847 3.224 1.00 0.00 H new ATOM 0 HA ASP A 30 -0.074 -14.913 3.162 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -2.181 -16.788 1.965 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -0.485 -17.189 2.153 1.00 0.00 H new ATOM 448 N ALA A 31 -1.499 -14.028 0.407 1.00 0.00 N ATOM 449 CA ALA A 31 -1.230 -13.621 -1.005 1.00 0.00 C ATOM 450 C ALA A 31 0.038 -12.763 -1.071 1.00 0.00 C ATOM 451 O ALA A 31 0.601 -12.393 -0.059 1.00 0.00 O ATOM 452 CB ALA A 31 -2.417 -12.814 -1.535 1.00 0.00 C ATOM 0 H ALA A 31 -2.404 -13.736 0.775 1.00 0.00 H new ATOM 0 HA ALA A 31 -1.089 -14.514 -1.614 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -2.223 -12.516 -2.565 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -3.318 -13.426 -1.498 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -2.556 -11.925 -0.920 1.00 0.00 H new ATOM 458 N ASP A 32 0.487 -12.452 -2.260 1.00 0.00 N ATOM 459 CA ASP A 32 1.718 -11.623 -2.411 1.00 0.00 C ATOM 460 C ASP A 32 1.341 -10.248 -2.964 1.00 0.00 C ATOM 461 O ASP A 32 1.328 -10.033 -4.161 1.00 0.00 O ATOM 462 CB ASP A 32 2.684 -12.313 -3.376 1.00 0.00 C ATOM 463 CG ASP A 32 3.332 -13.512 -2.681 1.00 0.00 C ATOM 464 OD1 ASP A 32 2.645 -14.499 -2.482 1.00 0.00 O ATOM 465 OD2 ASP A 32 4.505 -13.421 -2.358 1.00 0.00 O ATOM 0 H ASP A 32 0.051 -12.739 -3.136 1.00 0.00 H new ATOM 0 HA ASP A 32 2.198 -11.506 -1.439 1.00 0.00 H new ATOM 0 HB2 ASP A 32 2.151 -12.641 -4.268 1.00 0.00 H new ATOM 0 HB3 ASP A 32 3.451 -11.611 -3.703 1.00 0.00 H new ATOM 470 N VAL A 33 1.032 -9.319 -2.097 1.00 0.00 N ATOM 471 CA VAL A 33 0.652 -7.950 -2.556 1.00 0.00 C ATOM 472 C VAL A 33 1.909 -7.081 -2.659 1.00 0.00 C ATOM 473 O VAL A 33 2.524 -6.741 -1.666 1.00 0.00 O ATOM 474 CB VAL A 33 -0.330 -7.336 -1.550 1.00 0.00 C ATOM 475 CG1 VAL A 33 -1.624 -8.169 -1.514 1.00 0.00 C ATOM 476 CG2 VAL A 33 0.307 -7.309 -0.151 1.00 0.00 C ATOM 0 H VAL A 33 1.027 -9.451 -1.086 1.00 0.00 H new ATOM 0 HA VAL A 33 0.176 -8.005 -3.535 1.00 0.00 H new ATOM 0 HB VAL A 33 -0.566 -6.317 -1.856 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -2.319 -7.730 -0.798 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -2.079 -8.177 -2.504 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -1.391 -9.191 -1.214 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -0.394 -6.872 0.560 1.00 0.00 H new ATOM 0 HG22 VAL A 33 0.550 -8.326 0.158 1.00 0.00 H new ATOM 0 HG23 VAL A 33 1.217 -6.710 -0.177 1.00 0.00 H new ATOM 486 N ASN A 34 2.297 -6.725 -3.859 1.00 0.00 N ATOM 487 CA ASN A 34 3.517 -5.884 -4.040 1.00 0.00 C ATOM 488 C ASN A 34 3.119 -4.486 -4.514 1.00 0.00 C ATOM 489 O ASN A 34 2.319 -4.329 -5.418 1.00 0.00 O ATOM 490 CB ASN A 34 4.431 -6.534 -5.081 1.00 0.00 C ATOM 491 CG ASN A 34 5.082 -7.783 -4.483 1.00 0.00 C ATOM 492 OD1 ASN A 34 4.409 -8.618 -3.910 1.00 0.00 O ATOM 493 ND2 ASN A 34 6.372 -7.948 -4.591 1.00 0.00 N ATOM 0 H ASN A 34 1.819 -6.982 -4.722 1.00 0.00 H new ATOM 0 HA ASN A 34 4.043 -5.803 -3.089 1.00 0.00 H new ATOM 0 HB2 ASN A 34 3.857 -6.800 -5.968 1.00 0.00 H new ATOM 0 HB3 ASN A 34 5.198 -5.828 -5.398 1.00 0.00 H new ATOM 0 HD21 ASN A 34 6.815 -8.777 -4.195 1.00 0.00 H new ATOM 0 HD22 ASN A 34 6.937 -7.248 -5.072 1.00 0.00 H new ATOM 500 N LEU A 35 3.678 -3.469 -3.908 1.00 0.00 N ATOM 501 CA LEU A 35 3.350 -2.070 -4.311 1.00 0.00 C ATOM 502 C LEU A 35 4.324 -1.617 -5.403 1.00 0.00 C ATOM 503 O LEU A 35 5.467 -2.035 -5.437 1.00 0.00 O ATOM 504 CB LEU A 35 3.479 -1.149 -3.094 1.00 0.00 C ATOM 505 CG LEU A 35 2.811 0.199 -3.392 1.00 0.00 C ATOM 506 CD1 LEU A 35 2.080 0.695 -2.143 1.00 0.00 C ATOM 507 CD2 LEU A 35 3.875 1.223 -3.795 1.00 0.00 C ATOM 0 H LEU A 35 4.352 -3.550 -3.147 1.00 0.00 H new ATOM 0 HA LEU A 35 2.330 -2.026 -4.693 1.00 0.00 H new ATOM 0 HB2 LEU A 35 3.013 -1.612 -2.224 1.00 0.00 H new ATOM 0 HB3 LEU A 35 4.531 -0.998 -2.850 1.00 0.00 H new ATOM 0 HG LEU A 35 2.099 0.074 -4.208 1.00 0.00 H new ATOM 0 HD11 LEU A 35 1.606 1.653 -2.355 1.00 0.00 H new ATOM 0 HD12 LEU A 35 1.319 -0.031 -1.854 1.00 0.00 H new ATOM 0 HD13 LEU A 35 2.793 0.816 -1.328 1.00 0.00 H new ATOM 0 HD21 LEU A 35 3.398 2.180 -4.006 1.00 0.00 H new ATOM 0 HD22 LEU A 35 4.589 1.346 -2.981 1.00 0.00 H new ATOM 0 HD23 LEU A 35 4.397 0.874 -4.686 1.00 0.00 H new ATOM 519 N GLU A 36 3.880 -0.767 -6.293 1.00 0.00 N ATOM 520 CA GLU A 36 4.774 -0.282 -7.389 1.00 0.00 C ATOM 521 C GLU A 36 4.864 1.245 -7.335 1.00 0.00 C ATOM 522 O GLU A 36 3.923 1.939 -7.669 1.00 0.00 O ATOM 523 CB GLU A 36 4.196 -0.715 -8.739 1.00 0.00 C ATOM 524 CG GLU A 36 5.178 -0.355 -9.860 1.00 0.00 C ATOM 525 CD GLU A 36 5.156 -1.449 -10.929 1.00 0.00 C ATOM 526 OE1 GLU A 36 5.468 -2.581 -10.598 1.00 0.00 O ATOM 527 OE2 GLU A 36 4.828 -1.136 -12.062 1.00 0.00 O ATOM 0 H GLU A 36 2.934 -0.386 -6.308 1.00 0.00 H new ATOM 0 HA GLU A 36 5.770 -0.706 -7.266 1.00 0.00 H new ATOM 0 HB2 GLU A 36 4.008 -1.789 -8.738 1.00 0.00 H new ATOM 0 HB3 GLU A 36 3.238 -0.224 -8.910 1.00 0.00 H new ATOM 0 HG2 GLU A 36 4.907 0.604 -10.301 1.00 0.00 H new ATOM 0 HG3 GLU A 36 6.184 -0.247 -9.456 1.00 0.00 H new ATOM 534 N TYR A 37 5.987 1.773 -6.912 1.00 0.00 N ATOM 535 CA TYR A 37 6.133 3.255 -6.832 1.00 0.00 C ATOM 536 C TYR A 37 6.749 3.792 -8.129 1.00 0.00 C ATOM 537 O TYR A 37 7.887 4.221 -8.162 1.00 0.00 O ATOM 538 CB TYR A 37 7.024 3.621 -5.636 1.00 0.00 C ATOM 539 CG TYR A 37 7.102 5.129 -5.478 1.00 0.00 C ATOM 540 CD1 TYR A 37 5.948 5.921 -5.597 1.00 0.00 C ATOM 541 CD2 TYR A 37 8.334 5.734 -5.205 1.00 0.00 C ATOM 542 CE1 TYR A 37 6.032 7.310 -5.447 1.00 0.00 C ATOM 543 CE2 TYR A 37 8.418 7.124 -5.055 1.00 0.00 C ATOM 544 CZ TYR A 37 7.266 7.911 -5.176 1.00 0.00 C ATOM 545 OH TYR A 37 7.349 9.281 -5.028 1.00 0.00 O ATOM 0 H TYR A 37 6.806 1.240 -6.620 1.00 0.00 H new ATOM 0 HA TYR A 37 5.150 3.706 -6.698 1.00 0.00 H new ATOM 0 HB2 TYR A 37 6.624 3.174 -4.726 1.00 0.00 H new ATOM 0 HB3 TYR A 37 8.024 3.212 -5.780 1.00 0.00 H new ATOM 0 HD1 TYR A 37 4.995 5.458 -5.804 1.00 0.00 H new ATOM 0 HD2 TYR A 37 9.222 5.127 -5.110 1.00 0.00 H new ATOM 0 HE1 TYR A 37 5.144 7.918 -5.540 1.00 0.00 H new ATOM 0 HE2 TYR A 37 9.370 7.588 -4.846 1.00 0.00 H new ATOM 0 HH TYR A 37 8.277 9.534 -4.842 1.00 0.00 H new ATOM 555 N ASN A 38 5.987 3.781 -9.195 1.00 0.00 N ATOM 556 CA ASN A 38 6.483 4.302 -10.512 1.00 0.00 C ATOM 557 C ASN A 38 7.875 3.748 -10.851 1.00 0.00 C ATOM 558 O ASN A 38 8.880 4.380 -10.588 1.00 0.00 O ATOM 559 CB ASN A 38 6.551 5.828 -10.457 1.00 0.00 C ATOM 560 CG ASN A 38 6.598 6.391 -11.879 1.00 0.00 C ATOM 561 OD1 ASN A 38 7.623 6.342 -12.529 1.00 0.00 O ATOM 562 ND2 ASN A 38 5.524 6.925 -12.391 1.00 0.00 N ATOM 0 H ASN A 38 5.030 3.429 -9.211 1.00 0.00 H new ATOM 0 HA ASN A 38 5.789 3.977 -11.287 1.00 0.00 H new ATOM 0 HB2 ASN A 38 5.683 6.222 -9.928 1.00 0.00 H new ATOM 0 HB3 ASN A 38 7.434 6.143 -9.901 1.00 0.00 H new ATOM 0 HD21 ASN A 38 5.544 7.302 -13.338 1.00 0.00 H new ATOM 0 HD22 ASN A 38 4.664 6.965 -11.844 1.00 0.00 H new ATOM 569 N GLY A 39 7.937 2.584 -11.448 1.00 0.00 N ATOM 570 CA GLY A 39 9.256 1.999 -11.824 1.00 0.00 C ATOM 571 C GLY A 39 9.794 1.113 -10.697 1.00 0.00 C ATOM 572 O GLY A 39 10.317 0.041 -10.944 1.00 0.00 O ATOM 0 H GLY A 39 7.127 2.014 -11.691 1.00 0.00 H new ATOM 0 HA2 GLY A 39 9.153 1.413 -12.737 1.00 0.00 H new ATOM 0 HA3 GLY A 39 9.967 2.798 -12.037 1.00 0.00 H new ATOM 576 N LYS A 40 9.682 1.549 -9.466 1.00 0.00 N ATOM 577 CA LYS A 40 10.197 0.728 -8.332 1.00 0.00 C ATOM 578 C LYS A 40 9.096 -0.212 -7.843 1.00 0.00 C ATOM 579 O LYS A 40 7.928 0.005 -8.101 1.00 0.00 O ATOM 580 CB LYS A 40 10.627 1.649 -7.190 1.00 0.00 C ATOM 581 CG LYS A 40 11.640 2.671 -7.712 1.00 0.00 C ATOM 582 CD LYS A 40 12.955 1.963 -8.045 1.00 0.00 C ATOM 583 CE LYS A 40 14.103 2.974 -8.012 1.00 0.00 C ATOM 584 NZ LYS A 40 14.011 3.869 -9.202 1.00 0.00 N ATOM 0 H LYS A 40 9.256 2.437 -9.200 1.00 0.00 H new ATOM 0 HA LYS A 40 11.053 0.142 -8.667 1.00 0.00 H new ATOM 0 HB2 LYS A 40 9.759 2.161 -6.775 1.00 0.00 H new ATOM 0 HB3 LYS A 40 11.068 1.064 -6.383 1.00 0.00 H new ATOM 0 HG2 LYS A 40 11.247 3.167 -8.599 1.00 0.00 H new ATOM 0 HG3 LYS A 40 11.811 3.445 -6.963 1.00 0.00 H new ATOM 0 HD2 LYS A 40 13.141 1.163 -7.329 1.00 0.00 H new ATOM 0 HD3 LYS A 40 12.892 1.501 -9.030 1.00 0.00 H new ATOM 0 HE2 LYS A 40 14.057 3.563 -7.096 1.00 0.00 H new ATOM 0 HE3 LYS A 40 15.061 2.453 -8.008 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 14.801 4.546 -9.189 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 14.058 3.298 -10.070 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 13.110 4.388 -9.177 1.00 0.00 H new ATOM 598 N THR A 41 9.459 -1.257 -7.143 1.00 0.00 N ATOM 599 CA THR A 41 8.435 -2.218 -6.639 1.00 0.00 C ATOM 600 C THR A 41 8.919 -2.853 -5.335 1.00 0.00 C ATOM 601 O THR A 41 9.787 -3.707 -5.335 1.00 0.00 O ATOM 602 CB THR A 41 8.203 -3.312 -7.683 1.00 0.00 C ATOM 603 OG1 THR A 41 7.903 -2.713 -8.936 1.00 0.00 O ATOM 604 CG2 THR A 41 7.034 -4.198 -7.245 1.00 0.00 C ATOM 0 H THR A 41 10.423 -1.485 -6.899 1.00 0.00 H new ATOM 0 HA THR A 41 7.502 -1.685 -6.456 1.00 0.00 H new ATOM 0 HB THR A 41 9.102 -3.921 -7.778 1.00 0.00 H new ATOM 0 HG1 THR A 41 6.967 -2.890 -9.168 1.00 0.00 H new ATOM 0 HG21 THR A 41 6.869 -4.977 -7.989 1.00 0.00 H new ATOM 0 HG22 THR A 41 7.266 -4.657 -6.284 1.00 0.00 H new ATOM 0 HG23 THR A 41 6.134 -3.591 -7.149 1.00 0.00 H new ATOM 612 N VAL A 42 8.355 -2.449 -4.226 1.00 0.00 N ATOM 613 CA VAL A 42 8.767 -3.034 -2.911 1.00 0.00 C ATOM 614 C VAL A 42 7.632 -3.896 -2.369 1.00 0.00 C ATOM 615 O VAL A 42 6.469 -3.620 -2.593 1.00 0.00 O ATOM 616 CB VAL A 42 9.089 -1.934 -1.883 1.00 0.00 C ATOM 617 CG1 VAL A 42 10.540 -1.489 -2.046 1.00 0.00 C ATOM 618 CG2 VAL A 42 8.160 -0.725 -2.064 1.00 0.00 C ATOM 0 H VAL A 42 7.626 -1.738 -4.172 1.00 0.00 H new ATOM 0 HA VAL A 42 9.664 -3.632 -3.071 1.00 0.00 H new ATOM 0 HB VAL A 42 8.936 -2.342 -0.884 1.00 0.00 H new ATOM 0 HG11 VAL A 42 10.766 -0.710 -1.317 1.00 0.00 H new ATOM 0 HG12 VAL A 42 11.202 -2.340 -1.885 1.00 0.00 H new ATOM 0 HG13 VAL A 42 10.690 -1.099 -3.053 1.00 0.00 H new ATOM 0 HG21 VAL A 42 8.408 0.038 -1.326 1.00 0.00 H new ATOM 0 HG22 VAL A 42 8.287 -0.315 -3.066 1.00 0.00 H new ATOM 0 HG23 VAL A 42 7.125 -1.038 -1.929 1.00 0.00 H new ATOM 628 N ASN A 43 7.964 -4.935 -1.649 1.00 0.00 N ATOM 629 CA ASN A 43 6.913 -5.824 -1.077 1.00 0.00 C ATOM 630 C ASN A 43 6.106 -5.015 -0.056 1.00 0.00 C ATOM 631 O ASN A 43 6.668 -4.334 0.781 1.00 0.00 O ATOM 632 CB ASN A 43 7.591 -7.008 -0.378 1.00 0.00 C ATOM 633 CG ASN A 43 6.718 -8.263 -0.493 1.00 0.00 C ATOM 634 OD1 ASN A 43 5.448 -8.202 -0.204 1.00 0.00 O flip ATOM 635 ND2 ASN A 43 7.204 -9.317 -0.852 1.00 0.00 N flip ATOM 0 H ASN A 43 8.923 -5.206 -1.432 1.00 0.00 H new ATOM 0 HA ASN A 43 6.254 -6.198 -1.861 1.00 0.00 H new ATOM 0 HB2 ASN A 43 8.567 -7.193 -0.826 1.00 0.00 H new ATOM 0 HB3 ASN A 43 7.762 -6.770 0.672 1.00 0.00 H new ATOM 0 HD21 ASN A 43 8.197 -9.370 -1.079 1.00 0.00 H new ATOM 0 HD22 ASN A 43 6.619 -10.149 -0.926 1.00 0.00 H new ATOM 642 N LEU A 44 4.795 -5.076 -0.119 1.00 0.00 N ATOM 643 CA LEU A 44 3.941 -4.304 0.848 1.00 0.00 C ATOM 644 C LEU A 44 4.414 -4.570 2.287 1.00 0.00 C ATOM 645 O LEU A 44 4.287 -3.730 3.157 1.00 0.00 O ATOM 646 CB LEU A 44 2.474 -4.744 0.674 1.00 0.00 C ATOM 647 CG LEU A 44 1.488 -3.720 1.279 1.00 0.00 C ATOM 648 CD1 LEU A 44 1.592 -3.732 2.803 1.00 0.00 C ATOM 649 CD2 LEU A 44 1.773 -2.303 0.756 1.00 0.00 C ATOM 0 H LEU A 44 4.276 -5.629 -0.801 1.00 0.00 H new ATOM 0 HA LEU A 44 4.025 -3.235 0.651 1.00 0.00 H new ATOM 0 HB2 LEU A 44 2.257 -4.873 -0.386 1.00 0.00 H new ATOM 0 HB3 LEU A 44 2.327 -5.714 1.150 1.00 0.00 H new ATOM 0 HG LEU A 44 0.480 -4.004 0.978 1.00 0.00 H new ATOM 0 HD11 LEU A 44 0.893 -3.007 3.221 1.00 0.00 H new ATOM 0 HD12 LEU A 44 1.349 -4.727 3.176 1.00 0.00 H new ATOM 0 HD13 LEU A 44 2.608 -3.471 3.100 1.00 0.00 H new ATOM 0 HD21 LEU A 44 1.064 -1.603 1.198 1.00 0.00 H new ATOM 0 HD22 LEU A 44 2.788 -2.012 1.027 1.00 0.00 H new ATOM 0 HD23 LEU A 44 1.669 -2.288 -0.329 1.00 0.00 H new ATOM 661 N LYS A 45 4.985 -5.724 2.527 1.00 0.00 N ATOM 662 CA LYS A 45 5.493 -6.044 3.890 1.00 0.00 C ATOM 663 C LYS A 45 6.959 -5.601 3.988 1.00 0.00 C ATOM 664 O LYS A 45 7.852 -6.398 4.208 1.00 0.00 O ATOM 665 CB LYS A 45 5.387 -7.552 4.135 1.00 0.00 C ATOM 666 CG LYS A 45 3.928 -7.991 3.994 1.00 0.00 C ATOM 667 CD LYS A 45 3.876 -9.418 3.444 1.00 0.00 C ATOM 668 CE LYS A 45 2.480 -9.700 2.886 1.00 0.00 C ATOM 669 NZ LYS A 45 2.155 -11.143 3.068 1.00 0.00 N ATOM 0 H LYS A 45 5.120 -6.459 1.833 1.00 0.00 H new ATOM 0 HA LYS A 45 4.901 -5.521 4.641 1.00 0.00 H new ATOM 0 HB2 LYS A 45 6.011 -8.092 3.422 1.00 0.00 H new ATOM 0 HB3 LYS A 45 5.757 -7.796 5.131 1.00 0.00 H new ATOM 0 HG2 LYS A 45 3.428 -7.944 4.961 1.00 0.00 H new ATOM 0 HG3 LYS A 45 3.396 -7.313 3.327 1.00 0.00 H new ATOM 0 HD2 LYS A 45 4.624 -9.545 2.662 1.00 0.00 H new ATOM 0 HD3 LYS A 45 4.115 -10.132 4.232 1.00 0.00 H new ATOM 0 HE2 LYS A 45 1.741 -9.082 3.397 1.00 0.00 H new ATOM 0 HE3 LYS A 45 2.439 -9.437 1.829 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 1.130 -11.284 2.964 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 2.656 -11.705 2.351 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 2.452 -11.449 4.017 1.00 0.00 H new ATOM 683 N SER A 46 7.205 -4.325 3.822 1.00 0.00 N ATOM 684 CA SER A 46 8.598 -3.800 3.898 1.00 0.00 C ATOM 685 C SER A 46 8.541 -2.359 4.401 1.00 0.00 C ATOM 686 O SER A 46 8.484 -1.423 3.627 1.00 0.00 O ATOM 687 CB SER A 46 9.244 -3.841 2.509 1.00 0.00 C ATOM 688 OG SER A 46 10.656 -3.922 2.651 1.00 0.00 O ATOM 0 H SER A 46 6.492 -3.620 3.635 1.00 0.00 H new ATOM 0 HA SER A 46 9.193 -4.410 4.577 1.00 0.00 H new ATOM 0 HB2 SER A 46 8.873 -4.699 1.948 1.00 0.00 H new ATOM 0 HB3 SER A 46 8.974 -2.949 1.943 1.00 0.00 H new ATOM 0 HG SER A 46 11.073 -3.950 1.765 1.00 0.00 H new ATOM 694 N ILE A 47 8.537 -2.181 5.694 1.00 0.00 N ATOM 695 CA ILE A 47 8.460 -0.807 6.269 1.00 0.00 C ATOM 696 C ILE A 47 9.706 -0.007 5.881 1.00 0.00 C ATOM 697 O ILE A 47 9.616 1.005 5.211 1.00 0.00 O ATOM 698 CB ILE A 47 8.349 -0.893 7.793 1.00 0.00 C ATOM 699 CG1 ILE A 47 7.172 -1.820 8.156 1.00 0.00 C ATOM 700 CG2 ILE A 47 8.114 0.516 8.359 1.00 0.00 C ATOM 701 CD1 ILE A 47 6.933 -1.817 9.671 1.00 0.00 C ATOM 0 H ILE A 47 8.584 -2.933 6.381 1.00 0.00 H new ATOM 0 HA ILE A 47 7.579 -0.302 5.873 1.00 0.00 H new ATOM 0 HB ILE A 47 9.267 -1.298 8.219 1.00 0.00 H new ATOM 0 HG12 ILE A 47 6.270 -1.492 7.639 1.00 0.00 H new ATOM 0 HG13 ILE A 47 7.382 -2.834 7.817 1.00 0.00 H new ATOM 0 HG21 ILE A 47 8.034 0.463 9.445 1.00 0.00 H new ATOM 0 HG22 ILE A 47 8.950 1.161 8.088 1.00 0.00 H new ATOM 0 HG23 ILE A 47 7.192 0.925 7.946 1.00 0.00 H new ATOM 0 HD11 ILE A 47 6.099 -2.477 9.909 1.00 0.00 H new ATOM 0 HD12 ILE A 47 7.830 -2.168 10.182 1.00 0.00 H new ATOM 0 HD13 ILE A 47 6.700 -0.804 10.001 1.00 0.00 H new ATOM 713 N MET A 48 10.865 -0.450 6.297 1.00 0.00 N ATOM 714 CA MET A 48 12.119 0.284 5.956 1.00 0.00 C ATOM 715 C MET A 48 12.349 0.262 4.439 1.00 0.00 C ATOM 716 O MET A 48 13.063 1.090 3.905 1.00 0.00 O ATOM 717 CB MET A 48 13.305 -0.380 6.658 1.00 0.00 C ATOM 718 CG MET A 48 14.430 0.641 6.838 1.00 0.00 C ATOM 719 SD MET A 48 16.021 -0.219 6.895 1.00 0.00 S ATOM 720 CE MET A 48 15.840 -0.919 8.553 1.00 0.00 C ATOM 0 H MET A 48 10.996 -1.291 6.860 1.00 0.00 H new ATOM 0 HA MET A 48 12.026 1.318 6.287 1.00 0.00 H new ATOM 0 HB2 MET A 48 12.995 -0.770 7.628 1.00 0.00 H new ATOM 0 HB3 MET A 48 13.660 -1.228 6.072 1.00 0.00 H new ATOM 0 HG2 MET A 48 14.421 1.357 6.016 1.00 0.00 H new ATOM 0 HG3 MET A 48 14.278 1.208 7.756 1.00 0.00 H new ATOM 0 HE1 MET A 48 16.774 -1.396 8.850 1.00 0.00 H new ATOM 0 HE2 MET A 48 15.598 -0.125 9.259 1.00 0.00 H new ATOM 0 HE3 MET A 48 15.039 -1.658 8.550 1.00 0.00 H new ATOM 730 N GLY A 49 11.759 -0.680 3.743 1.00 0.00 N ATOM 731 CA GLY A 49 11.954 -0.760 2.265 1.00 0.00 C ATOM 732 C GLY A 49 11.110 0.308 1.561 1.00 0.00 C ATOM 733 O GLY A 49 11.449 0.759 0.484 1.00 0.00 O ATOM 0 H GLY A 49 11.150 -1.397 4.137 1.00 0.00 H new ATOM 0 HA2 GLY A 49 13.007 -0.620 2.022 1.00 0.00 H new ATOM 0 HA3 GLY A 49 11.673 -1.750 1.907 1.00 0.00 H new ATOM 737 N VAL A 50 10.014 0.710 2.155 1.00 0.00 N ATOM 738 CA VAL A 50 9.148 1.744 1.513 1.00 0.00 C ATOM 739 C VAL A 50 9.709 3.140 1.802 1.00 0.00 C ATOM 740 O VAL A 50 9.584 4.045 0.999 1.00 0.00 O ATOM 741 CB VAL A 50 7.723 1.634 2.071 1.00 0.00 C ATOM 742 CG1 VAL A 50 6.809 2.637 1.358 1.00 0.00 C ATOM 743 CG2 VAL A 50 7.193 0.212 1.844 1.00 0.00 C ATOM 0 H VAL A 50 9.682 0.366 3.056 1.00 0.00 H new ATOM 0 HA VAL A 50 9.129 1.582 0.435 1.00 0.00 H new ATOM 0 HB VAL A 50 7.737 1.853 3.139 1.00 0.00 H new ATOM 0 HG11 VAL A 50 5.798 2.556 1.757 1.00 0.00 H new ATOM 0 HG12 VAL A 50 7.183 3.648 1.519 1.00 0.00 H new ATOM 0 HG13 VAL A 50 6.796 2.421 0.290 1.00 0.00 H new ATOM 0 HG21 VAL A 50 6.181 0.133 2.240 1.00 0.00 H new ATOM 0 HG22 VAL A 50 7.183 -0.006 0.776 1.00 0.00 H new ATOM 0 HG23 VAL A 50 7.839 -0.503 2.354 1.00 0.00 H new ATOM 753 N VAL A 51 10.321 3.321 2.945 1.00 0.00 N ATOM 754 CA VAL A 51 10.889 4.658 3.293 1.00 0.00 C ATOM 755 C VAL A 51 12.014 5.013 2.317 1.00 0.00 C ATOM 756 O VAL A 51 12.277 6.173 2.059 1.00 0.00 O ATOM 757 CB VAL A 51 11.445 4.621 4.718 1.00 0.00 C ATOM 758 CG1 VAL A 51 11.881 6.028 5.133 1.00 0.00 C ATOM 759 CG2 VAL A 51 10.362 4.122 5.677 1.00 0.00 C ATOM 0 H VAL A 51 10.452 2.599 3.653 1.00 0.00 H new ATOM 0 HA VAL A 51 10.103 5.410 3.226 1.00 0.00 H new ATOM 0 HB VAL A 51 12.302 3.948 4.754 1.00 0.00 H new ATOM 0 HG11 VAL A 51 12.277 6.002 6.148 1.00 0.00 H new ATOM 0 HG12 VAL A 51 12.653 6.386 4.452 1.00 0.00 H new ATOM 0 HG13 VAL A 51 11.024 6.700 5.095 1.00 0.00 H new ATOM 0 HG21 VAL A 51 10.759 4.096 6.692 1.00 0.00 H new ATOM 0 HG22 VAL A 51 9.505 4.794 5.640 1.00 0.00 H new ATOM 0 HG23 VAL A 51 10.050 3.120 5.384 1.00 0.00 H new ATOM 769 N SER A 52 12.683 4.025 1.778 1.00 0.00 N ATOM 770 CA SER A 52 13.798 4.300 0.822 1.00 0.00 C ATOM 771 C SER A 52 13.238 4.862 -0.490 1.00 0.00 C ATOM 772 O SER A 52 13.922 5.565 -1.209 1.00 0.00 O ATOM 773 CB SER A 52 14.554 3.004 0.534 1.00 0.00 C ATOM 774 OG SER A 52 13.621 1.961 0.284 1.00 0.00 O ATOM 0 H SER A 52 12.504 3.037 1.960 1.00 0.00 H new ATOM 0 HA SER A 52 14.474 5.030 1.266 1.00 0.00 H new ATOM 0 HB2 SER A 52 15.209 3.135 -0.327 1.00 0.00 H new ATOM 0 HB3 SER A 52 15.189 2.744 1.381 1.00 0.00 H new ATOM 0 HG SER A 52 12.718 2.337 0.223 1.00 0.00 H new ATOM 780 N LEU A 53 12.005 4.554 -0.807 1.00 0.00 N ATOM 781 CA LEU A 53 11.406 5.066 -2.076 1.00 0.00 C ATOM 782 C LEU A 53 11.301 6.591 -2.015 1.00 0.00 C ATOM 783 O LEU A 53 11.496 7.272 -3.005 1.00 0.00 O ATOM 784 CB LEU A 53 10.003 4.469 -2.263 1.00 0.00 C ATOM 785 CG LEU A 53 10.094 3.030 -2.796 1.00 0.00 C ATOM 786 CD1 LEU A 53 10.813 3.012 -4.149 1.00 0.00 C ATOM 787 CD2 LEU A 53 10.858 2.154 -1.797 1.00 0.00 C ATOM 0 H LEU A 53 11.388 3.970 -0.242 1.00 0.00 H new ATOM 0 HA LEU A 53 12.040 4.776 -2.914 1.00 0.00 H new ATOM 0 HB2 LEU A 53 9.469 4.478 -1.313 1.00 0.00 H new ATOM 0 HB3 LEU A 53 9.430 5.084 -2.957 1.00 0.00 H new ATOM 0 HG LEU A 53 9.085 2.638 -2.924 1.00 0.00 H new ATOM 0 HD11 LEU A 53 10.871 1.987 -4.516 1.00 0.00 H new ATOM 0 HD12 LEU A 53 10.260 3.623 -4.863 1.00 0.00 H new ATOM 0 HD13 LEU A 53 11.820 3.413 -4.031 1.00 0.00 H new ATOM 0 HD21 LEU A 53 10.920 1.135 -2.179 1.00 0.00 H new ATOM 0 HD22 LEU A 53 11.864 2.551 -1.659 1.00 0.00 H new ATOM 0 HD23 LEU A 53 10.335 2.152 -0.841 1.00 0.00 H new ATOM 799 N GLY A 54 10.991 7.130 -0.863 1.00 0.00 N ATOM 800 CA GLY A 54 10.869 8.612 -0.733 1.00 0.00 C ATOM 801 C GLY A 54 9.526 9.062 -1.312 1.00 0.00 C ATOM 802 O GLY A 54 9.427 10.099 -1.941 1.00 0.00 O ATOM 0 H GLY A 54 10.817 6.606 -0.006 1.00 0.00 H new ATOM 0 HA2 GLY A 54 10.942 8.904 0.315 1.00 0.00 H new ATOM 0 HA3 GLY A 54 11.688 9.103 -1.259 1.00 0.00 H new ATOM 806 N ILE A 55 8.493 8.288 -1.102 1.00 0.00 N ATOM 807 CA ILE A 55 7.149 8.658 -1.634 1.00 0.00 C ATOM 808 C ILE A 55 6.621 9.870 -0.870 1.00 0.00 C ATOM 809 O ILE A 55 6.852 10.018 0.316 1.00 0.00 O ATOM 810 CB ILE A 55 6.188 7.475 -1.462 1.00 0.00 C ATOM 811 CG1 ILE A 55 6.789 6.226 -2.117 1.00 0.00 C ATOM 812 CG2 ILE A 55 4.847 7.797 -2.125 1.00 0.00 C ATOM 813 CD1 ILE A 55 6.156 4.976 -1.506 1.00 0.00 C ATOM 0 H ILE A 55 8.524 7.411 -0.582 1.00 0.00 H new ATOM 0 HA ILE A 55 7.227 8.904 -2.693 1.00 0.00 H new ATOM 0 HB ILE A 55 6.033 7.292 -0.399 1.00 0.00 H new ATOM 0 HG12 ILE A 55 6.614 6.247 -3.193 1.00 0.00 H new ATOM 0 HG13 ILE A 55 7.869 6.209 -1.970 1.00 0.00 H new ATOM 0 HG21 ILE A 55 4.168 6.954 -2.000 1.00 0.00 H new ATOM 0 HG22 ILE A 55 4.415 8.683 -1.660 1.00 0.00 H new ATOM 0 HG23 ILE A 55 5.002 7.984 -3.188 1.00 0.00 H new ATOM 0 HD11 ILE A 55 6.583 4.087 -1.971 1.00 0.00 H new ATOM 0 HD12 ILE A 55 6.354 4.955 -0.434 1.00 0.00 H new ATOM 0 HD13 ILE A 55 5.080 4.993 -1.676 1.00 0.00 H new ATOM 825 N ALA A 56 5.921 10.743 -1.547 1.00 0.00 N ATOM 826 CA ALA A 56 5.381 11.959 -0.877 1.00 0.00 C ATOM 827 C ALA A 56 3.899 12.126 -1.229 1.00 0.00 C ATOM 828 O ALA A 56 3.265 11.217 -1.732 1.00 0.00 O ATOM 829 CB ALA A 56 6.173 13.177 -1.359 1.00 0.00 C ATOM 0 H ALA A 56 5.700 10.664 -2.540 1.00 0.00 H new ATOM 0 HA ALA A 56 5.476 11.863 0.205 1.00 0.00 H new ATOM 0 HB1 ALA A 56 5.788 14.075 -0.876 1.00 0.00 H new ATOM 0 HB2 ALA A 56 7.225 13.051 -1.105 1.00 0.00 H new ATOM 0 HB3 ALA A 56 6.070 13.273 -2.440 1.00 0.00 H new ATOM 835 N LYS A 57 3.345 13.282 -0.964 1.00 0.00 N ATOM 836 CA LYS A 57 1.905 13.520 -1.277 1.00 0.00 C ATOM 837 C LYS A 57 1.718 13.621 -2.792 1.00 0.00 C ATOM 838 O LYS A 57 2.627 13.986 -3.514 1.00 0.00 O ATOM 839 CB LYS A 57 1.446 14.826 -0.617 1.00 0.00 C ATOM 840 CG LYS A 57 2.355 15.982 -1.058 1.00 0.00 C ATOM 841 CD LYS A 57 3.288 16.379 0.092 1.00 0.00 C ATOM 842 CE LYS A 57 3.494 17.895 0.086 1.00 0.00 C ATOM 843 NZ LYS A 57 2.440 18.543 0.917 1.00 0.00 N ATOM 0 H LYS A 57 3.831 14.074 -0.543 1.00 0.00 H new ATOM 0 HA LYS A 57 1.311 12.690 -0.894 1.00 0.00 H new ATOM 0 HB2 LYS A 57 0.413 15.039 -0.892 1.00 0.00 H new ATOM 0 HB3 LYS A 57 1.473 14.724 0.468 1.00 0.00 H new ATOM 0 HG2 LYS A 57 2.941 15.684 -1.927 1.00 0.00 H new ATOM 0 HG3 LYS A 57 1.750 16.837 -1.359 1.00 0.00 H new ATOM 0 HD2 LYS A 57 2.862 16.064 1.045 1.00 0.00 H new ATOM 0 HD3 LYS A 57 4.247 15.871 -0.012 1.00 0.00 H new ATOM 0 HE2 LYS A 57 4.482 18.140 0.476 1.00 0.00 H new ATOM 0 HE3 LYS A 57 3.452 18.274 -0.935 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 1.989 19.306 0.373 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 1.724 17.837 1.182 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 2.871 18.939 1.777 1.00 0.00 H new ATOM 857 N GLY A 58 0.545 13.300 -3.275 1.00 0.00 N ATOM 858 CA GLY A 58 0.287 13.373 -4.744 1.00 0.00 C ATOM 859 C GLY A 58 1.204 12.393 -5.476 1.00 0.00 C ATOM 860 O GLY A 58 2.150 12.788 -6.131 1.00 0.00 O ATOM 0 H GLY A 58 -0.248 12.990 -2.713 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -0.756 13.135 -4.952 1.00 0.00 H new ATOM 0 HA3 GLY A 58 0.461 14.387 -5.104 1.00 0.00 H new ATOM 864 N ALA A 59 0.929 11.116 -5.370 1.00 0.00 N ATOM 865 CA ALA A 59 1.781 10.102 -6.058 1.00 0.00 C ATOM 866 C ALA A 59 0.909 8.940 -6.539 1.00 0.00 C ATOM 867 O ALA A 59 -0.252 8.841 -6.190 1.00 0.00 O ATOM 868 CB ALA A 59 2.839 9.580 -5.083 1.00 0.00 C ATOM 0 H ALA A 59 0.149 10.733 -4.835 1.00 0.00 H new ATOM 0 HA ALA A 59 2.272 10.562 -6.915 1.00 0.00 H new ATOM 0 HB1 ALA A 59 3.462 8.839 -5.584 1.00 0.00 H new ATOM 0 HB2 ALA A 59 3.462 10.408 -4.744 1.00 0.00 H new ATOM 0 HB3 ALA A 59 2.348 9.120 -4.225 1.00 0.00 H new ATOM 874 N GLU A 60 1.463 8.061 -7.334 1.00 0.00 N ATOM 875 CA GLU A 60 0.676 6.899 -7.842 1.00 0.00 C ATOM 876 C GLU A 60 1.354 5.600 -7.402 1.00 0.00 C ATOM 877 O GLU A 60 2.566 5.509 -7.356 1.00 0.00 O ATOM 878 CB GLU A 60 0.614 6.951 -9.370 1.00 0.00 C ATOM 879 CG GLU A 60 -0.560 7.831 -9.803 1.00 0.00 C ATOM 880 CD GLU A 60 -1.845 7.001 -9.816 1.00 0.00 C ATOM 881 OE1 GLU A 60 -2.010 6.189 -8.920 1.00 0.00 O ATOM 882 OE2 GLU A 60 -2.641 7.189 -10.720 1.00 0.00 O ATOM 0 H GLU A 60 2.431 8.099 -7.654 1.00 0.00 H new ATOM 0 HA GLU A 60 -0.336 6.939 -7.439 1.00 0.00 H new ATOM 0 HB2 GLU A 60 1.547 7.349 -9.769 1.00 0.00 H new ATOM 0 HB3 GLU A 60 0.497 5.946 -9.774 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -0.667 8.674 -9.121 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -0.372 8.244 -10.794 1.00 0.00 H new ATOM 889 N ILE A 61 0.579 4.596 -7.077 1.00 0.00 N ATOM 890 CA ILE A 61 1.173 3.298 -6.635 1.00 0.00 C ATOM 891 C ILE A 61 0.292 2.142 -7.116 1.00 0.00 C ATOM 892 O ILE A 61 -0.898 2.116 -6.873 1.00 0.00 O ATOM 893 CB ILE A 61 1.273 3.280 -5.106 1.00 0.00 C ATOM 894 CG1 ILE A 61 -0.094 3.637 -4.497 1.00 0.00 C ATOM 895 CG2 ILE A 61 2.325 4.303 -4.663 1.00 0.00 C ATOM 896 CD1 ILE A 61 -0.006 3.669 -2.965 1.00 0.00 C ATOM 0 H ILE A 61 -0.440 4.619 -7.099 1.00 0.00 H new ATOM 0 HA ILE A 61 2.170 3.186 -7.061 1.00 0.00 H new ATOM 0 HB ILE A 61 1.565 2.287 -4.765 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -0.423 4.607 -4.869 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -0.840 2.907 -4.809 1.00 0.00 H new ATOM 0 HG21 ILE A 61 2.403 4.297 -3.576 1.00 0.00 H new ATOM 0 HG22 ILE A 61 3.290 4.044 -5.097 1.00 0.00 H new ATOM 0 HG23 ILE A 61 2.031 5.297 -5.000 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -0.981 3.923 -2.550 1.00 0.00 H new ATOM 0 HD12 ILE A 61 0.301 2.690 -2.598 1.00 0.00 H new ATOM 0 HD13 ILE A 61 0.725 4.417 -2.658 1.00 0.00 H new ATOM 908 N THR A 62 0.869 1.190 -7.804 1.00 0.00 N ATOM 909 CA THR A 62 0.071 0.035 -8.312 1.00 0.00 C ATOM 910 C THR A 62 0.294 -1.183 -7.414 1.00 0.00 C ATOM 911 O THR A 62 1.397 -1.682 -7.290 1.00 0.00 O ATOM 912 CB THR A 62 0.511 -0.297 -9.740 1.00 0.00 C ATOM 913 OG1 THR A 62 0.744 0.909 -10.454 1.00 0.00 O ATOM 914 CG2 THR A 62 -0.586 -1.102 -10.439 1.00 0.00 C ATOM 0 H THR A 62 1.862 1.163 -8.036 1.00 0.00 H new ATOM 0 HA THR A 62 -0.987 0.297 -8.306 1.00 0.00 H new ATOM 0 HB THR A 62 1.428 -0.886 -9.711 1.00 0.00 H new ATOM 0 HG1 THR A 62 1.028 0.698 -11.368 1.00 0.00 H new ATOM 0 HG21 THR A 62 -0.272 -1.338 -11.456 1.00 0.00 H new ATOM 0 HG22 THR A 62 -0.764 -2.027 -9.890 1.00 0.00 H new ATOM 0 HG23 THR A 62 -1.504 -0.515 -10.470 1.00 0.00 H new ATOM 922 N ILE A 63 -0.751 -1.667 -6.795 1.00 0.00 N ATOM 923 CA ILE A 63 -0.622 -2.858 -5.905 1.00 0.00 C ATOM 924 C ILE A 63 -1.136 -4.094 -6.651 1.00 0.00 C ATOM 925 O ILE A 63 -1.995 -3.998 -7.508 1.00 0.00 O ATOM 926 CB ILE A 63 -1.445 -2.625 -4.629 1.00 0.00 C ATOM 927 CG1 ILE A 63 -0.866 -1.427 -3.873 1.00 0.00 C ATOM 928 CG2 ILE A 63 -1.392 -3.867 -3.731 1.00 0.00 C ATOM 929 CD1 ILE A 63 -1.755 -1.094 -2.674 1.00 0.00 C ATOM 0 H ILE A 63 -1.694 -1.286 -6.869 1.00 0.00 H new ATOM 0 HA ILE A 63 0.421 -3.014 -5.630 1.00 0.00 H new ATOM 0 HB ILE A 63 -2.482 -2.430 -4.901 1.00 0.00 H new ATOM 0 HG12 ILE A 63 0.146 -1.652 -3.536 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -0.797 -0.565 -4.537 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -1.979 -3.690 -2.830 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -1.802 -4.722 -4.268 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -0.358 -4.073 -3.456 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -1.339 -0.241 -2.139 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -2.759 -0.850 -3.022 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -1.802 -1.954 -2.006 1.00 0.00 H new ATOM 941 N SER A 64 -0.615 -5.253 -6.330 1.00 0.00 N ATOM 942 CA SER A 64 -1.068 -6.496 -7.019 1.00 0.00 C ATOM 943 C SER A 64 -0.939 -7.697 -6.078 1.00 0.00 C ATOM 944 O SER A 64 0.151 -8.139 -5.769 1.00 0.00 O ATOM 945 CB SER A 64 -0.211 -6.729 -8.262 1.00 0.00 C ATOM 946 OG SER A 64 1.128 -6.333 -7.989 1.00 0.00 O ATOM 0 H SER A 64 0.105 -5.390 -5.620 1.00 0.00 H new ATOM 0 HA SER A 64 -2.113 -6.382 -7.308 1.00 0.00 H new ATOM 0 HB2 SER A 64 -0.241 -7.781 -8.547 1.00 0.00 H new ATOM 0 HB3 SER A 64 -0.607 -6.160 -9.103 1.00 0.00 H new ATOM 0 HG SER A 64 1.423 -6.735 -7.145 1.00 0.00 H new ATOM 952 N ALA A 65 -2.048 -8.232 -5.635 1.00 0.00 N ATOM 953 CA ALA A 65 -2.008 -9.416 -4.728 1.00 0.00 C ATOM 954 C ALA A 65 -2.025 -10.688 -5.580 1.00 0.00 C ATOM 955 O ALA A 65 -2.790 -10.796 -6.520 1.00 0.00 O ATOM 956 CB ALA A 65 -3.235 -9.397 -3.814 1.00 0.00 C ATOM 0 H ALA A 65 -2.984 -7.897 -5.864 1.00 0.00 H new ATOM 0 HA ALA A 65 -1.105 -9.389 -4.118 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -3.208 -10.261 -3.150 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -3.232 -8.483 -3.220 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -4.140 -9.433 -4.420 1.00 0.00 H new ATOM 962 N SER A 66 -1.188 -11.645 -5.269 1.00 0.00 N ATOM 963 CA SER A 66 -1.157 -12.904 -6.073 1.00 0.00 C ATOM 964 C SER A 66 -0.887 -14.103 -5.158 1.00 0.00 C ATOM 965 O SER A 66 0.214 -14.292 -4.677 1.00 0.00 O ATOM 966 CB SER A 66 -0.056 -12.798 -7.133 1.00 0.00 C ATOM 967 OG SER A 66 -0.642 -12.859 -8.426 1.00 0.00 O ATOM 0 H SER A 66 -0.526 -11.609 -4.494 1.00 0.00 H new ATOM 0 HA SER A 66 -2.121 -13.047 -6.562 1.00 0.00 H new ATOM 0 HB2 SER A 66 0.492 -11.863 -7.013 1.00 0.00 H new ATOM 0 HB3 SER A 66 0.664 -13.607 -7.009 1.00 0.00 H new ATOM 0 HG SER A 66 0.060 -12.790 -9.107 1.00 0.00 H new ATOM 973 N GLY A 67 -1.887 -14.915 -4.923 1.00 0.00 N ATOM 974 CA GLY A 67 -1.702 -16.109 -4.047 1.00 0.00 C ATOM 975 C GLY A 67 -3.057 -16.775 -3.798 1.00 0.00 C ATOM 976 O GLY A 67 -3.785 -17.083 -4.723 1.00 0.00 O ATOM 0 H GLY A 67 -2.827 -14.801 -5.302 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -1.019 -16.816 -4.517 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -1.251 -15.812 -3.100 1.00 0.00 H new ATOM 980 N ALA A 68 -3.399 -16.997 -2.554 1.00 0.00 N ATOM 981 CA ALA A 68 -4.707 -17.641 -2.234 1.00 0.00 C ATOM 982 C ALA A 68 -5.777 -16.562 -2.060 1.00 0.00 C ATOM 983 O ALA A 68 -6.665 -16.419 -2.879 1.00 0.00 O ATOM 984 CB ALA A 68 -4.576 -18.444 -0.938 1.00 0.00 C ATOM 0 H ALA A 68 -2.826 -16.759 -1.744 1.00 0.00 H new ATOM 0 HA ALA A 68 -4.993 -18.308 -3.047 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -5.531 -18.915 -0.704 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -3.813 -19.213 -1.062 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -4.291 -17.777 -0.124 1.00 0.00 H new ATOM 990 N ASP A 69 -5.693 -15.801 -0.999 1.00 0.00 N ATOM 991 CA ASP A 69 -6.701 -14.724 -0.761 1.00 0.00 C ATOM 992 C ASP A 69 -6.183 -13.406 -1.347 1.00 0.00 C ATOM 993 O ASP A 69 -6.180 -12.379 -0.692 1.00 0.00 O ATOM 994 CB ASP A 69 -6.941 -14.568 0.746 1.00 0.00 C ATOM 995 CG ASP A 69 -5.604 -14.388 1.471 1.00 0.00 C ATOM 996 OD1 ASP A 69 -4.808 -13.583 1.017 1.00 0.00 O ATOM 997 OD2 ASP A 69 -5.400 -15.060 2.469 1.00 0.00 O ATOM 0 H ASP A 69 -4.968 -15.879 -0.286 1.00 0.00 H new ATOM 0 HA ASP A 69 -7.641 -14.989 -1.245 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -7.585 -13.709 0.933 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -7.459 -15.445 1.133 1.00 0.00 H new ATOM 1002 N GLU A 70 -5.739 -13.435 -2.578 1.00 0.00 N ATOM 1003 CA GLU A 70 -5.211 -12.196 -3.224 1.00 0.00 C ATOM 1004 C GLU A 70 -6.330 -11.158 -3.362 1.00 0.00 C ATOM 1005 O GLU A 70 -6.119 -9.978 -3.150 1.00 0.00 O ATOM 1006 CB GLU A 70 -4.653 -12.540 -4.611 1.00 0.00 C ATOM 1007 CG GLU A 70 -5.752 -13.160 -5.482 1.00 0.00 C ATOM 1008 CD GLU A 70 -5.110 -13.999 -6.590 1.00 0.00 C ATOM 1009 OE1 GLU A 70 -4.417 -13.426 -7.414 1.00 0.00 O ATOM 1010 OE2 GLU A 70 -5.325 -15.200 -6.596 1.00 0.00 O ATOM 0 H GLU A 70 -5.720 -14.268 -3.166 1.00 0.00 H new ATOM 0 HA GLU A 70 -4.416 -11.781 -2.604 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -4.264 -11.641 -5.088 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -3.819 -13.235 -4.514 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -6.407 -13.783 -4.872 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -6.372 -12.376 -5.917 1.00 0.00 H new ATOM 1017 N ASN A 71 -7.512 -11.587 -3.725 1.00 0.00 N ATOM 1018 CA ASN A 71 -8.645 -10.628 -3.889 1.00 0.00 C ATOM 1019 C ASN A 71 -9.052 -10.069 -2.525 1.00 0.00 C ATOM 1020 O ASN A 71 -9.303 -8.888 -2.380 1.00 0.00 O ATOM 1021 CB ASN A 71 -9.838 -11.352 -4.517 1.00 0.00 C ATOM 1022 CG ASN A 71 -9.595 -11.536 -6.017 1.00 0.00 C ATOM 1023 OD1 ASN A 71 -8.464 -11.609 -6.455 1.00 0.00 O ATOM 1024 ND2 ASN A 71 -10.615 -11.614 -6.827 1.00 0.00 N ATOM 0 H ASN A 71 -7.741 -12.563 -3.915 1.00 0.00 H new ATOM 0 HA ASN A 71 -8.331 -9.808 -4.535 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -9.980 -12.322 -4.040 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -10.751 -10.779 -4.354 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -10.463 -11.736 -7.828 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -11.564 -11.553 -6.459 1.00 0.00 H new ATOM 1031 N ASP A 72 -9.127 -10.908 -1.527 1.00 0.00 N ATOM 1032 CA ASP A 72 -9.526 -10.435 -0.168 1.00 0.00 C ATOM 1033 C ASP A 72 -8.449 -9.509 0.411 1.00 0.00 C ATOM 1034 O ASP A 72 -8.721 -8.702 1.282 1.00 0.00 O ATOM 1035 CB ASP A 72 -9.703 -11.642 0.756 1.00 0.00 C ATOM 1036 CG ASP A 72 -10.665 -12.645 0.115 1.00 0.00 C ATOM 1037 OD1 ASP A 72 -11.859 -12.502 0.318 1.00 0.00 O ATOM 1038 OD2 ASP A 72 -10.190 -13.538 -0.567 1.00 0.00 O ATOM 0 H ASP A 72 -8.928 -11.906 -1.594 1.00 0.00 H new ATOM 0 HA ASP A 72 -10.463 -9.884 -0.246 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -8.739 -12.115 0.941 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -10.090 -11.319 1.722 1.00 0.00 H new ATOM 1043 N ALA A 73 -7.227 -9.631 -0.046 1.00 0.00 N ATOM 1044 CA ALA A 73 -6.128 -8.779 0.500 1.00 0.00 C ATOM 1045 C ALA A 73 -6.143 -7.378 -0.125 1.00 0.00 C ATOM 1046 O ALA A 73 -6.015 -6.390 0.574 1.00 0.00 O ATOM 1047 CB ALA A 73 -4.782 -9.441 0.209 1.00 0.00 C ATOM 0 H ALA A 73 -6.944 -10.286 -0.775 1.00 0.00 H new ATOM 0 HA ALA A 73 -6.279 -8.678 1.575 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -3.978 -8.821 0.606 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -4.750 -10.423 0.681 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -4.656 -9.552 -0.868 1.00 0.00 H new ATOM 1053 N LEU A 74 -6.268 -7.276 -1.429 1.00 0.00 N ATOM 1054 CA LEU A 74 -6.254 -5.924 -2.075 1.00 0.00 C ATOM 1055 C LEU A 74 -7.389 -5.054 -1.525 1.00 0.00 C ATOM 1056 O LEU A 74 -7.198 -3.880 -1.263 1.00 0.00 O ATOM 1057 CB LEU A 74 -6.367 -6.056 -3.603 1.00 0.00 C ATOM 1058 CG LEU A 74 -7.733 -6.618 -4.006 1.00 0.00 C ATOM 1059 CD1 LEU A 74 -8.743 -5.471 -4.170 1.00 0.00 C ATOM 1060 CD2 LEU A 74 -7.593 -7.375 -5.331 1.00 0.00 C ATOM 0 H LEU A 74 -6.378 -8.063 -2.068 1.00 0.00 H new ATOM 0 HA LEU A 74 -5.306 -5.440 -1.841 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -6.220 -5.081 -4.068 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -5.577 -6.709 -3.975 1.00 0.00 H new ATOM 0 HG LEU A 74 -8.090 -7.296 -3.231 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -9.713 -5.878 -4.457 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -8.840 -4.934 -3.227 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -8.394 -4.787 -4.943 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -8.562 -7.778 -5.624 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -7.235 -6.694 -6.103 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -6.882 -8.192 -5.210 1.00 0.00 H new ATOM 1072 N ASN A 75 -8.564 -5.610 -1.343 1.00 0.00 N ATOM 1073 CA ASN A 75 -9.690 -4.790 -0.804 1.00 0.00 C ATOM 1074 C ASN A 75 -9.463 -4.542 0.689 1.00 0.00 C ATOM 1075 O ASN A 75 -9.924 -3.559 1.234 1.00 0.00 O ATOM 1076 CB ASN A 75 -11.034 -5.498 -1.031 1.00 0.00 C ATOM 1077 CG ASN A 75 -11.071 -6.837 -0.293 1.00 0.00 C ATOM 1078 OD1 ASN A 75 -10.994 -7.877 -0.908 1.00 0.00 O ATOM 1079 ND2 ASN A 75 -11.203 -6.856 1.005 1.00 0.00 N ATOM 0 H ASN A 75 -8.788 -6.585 -1.542 1.00 0.00 H new ATOM 0 HA ASN A 75 -9.721 -3.836 -1.330 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -11.849 -4.863 -0.683 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -11.190 -5.660 -2.098 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -11.241 -7.747 1.501 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -11.268 -5.980 1.524 1.00 0.00 H new ATOM 1086 N ALA A 76 -8.747 -5.422 1.353 1.00 0.00 N ATOM 1087 CA ALA A 76 -8.481 -5.229 2.810 1.00 0.00 C ATOM 1088 C ALA A 76 -7.725 -3.913 3.015 1.00 0.00 C ATOM 1089 O ALA A 76 -8.205 -3.008 3.669 1.00 0.00 O ATOM 1090 CB ALA A 76 -7.636 -6.390 3.338 1.00 0.00 C ATOM 0 H ALA A 76 -8.338 -6.263 0.946 1.00 0.00 H new ATOM 0 HA ALA A 76 -9.427 -5.198 3.351 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -7.444 -6.246 4.401 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -8.172 -7.327 3.190 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -6.689 -6.425 2.800 1.00 0.00 H new ATOM 1096 N LEU A 77 -6.546 -3.799 2.453 1.00 0.00 N ATOM 1097 CA LEU A 77 -5.759 -2.540 2.608 1.00 0.00 C ATOM 1098 C LEU A 77 -6.543 -1.362 2.019 1.00 0.00 C ATOM 1099 O LEU A 77 -6.402 -0.236 2.455 1.00 0.00 O ATOM 1100 CB LEU A 77 -4.424 -2.681 1.873 1.00 0.00 C ATOM 1101 CG LEU A 77 -3.697 -3.948 2.359 1.00 0.00 C ATOM 1102 CD1 LEU A 77 -3.434 -4.879 1.175 1.00 0.00 C ATOM 1103 CD2 LEU A 77 -2.362 -3.561 3.004 1.00 0.00 C ATOM 0 H LEU A 77 -6.097 -4.524 1.894 1.00 0.00 H new ATOM 0 HA LEU A 77 -5.577 -2.357 3.667 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -4.594 -2.737 0.798 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -3.804 -1.803 2.053 1.00 0.00 H new ATOM 0 HG LEU A 77 -4.322 -4.459 3.091 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -2.919 -5.774 1.524 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -4.382 -5.161 0.716 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -2.813 -4.367 0.440 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -1.850 -4.460 3.347 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -1.740 -3.046 2.272 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -2.545 -2.902 3.852 1.00 0.00 H new ATOM 1115 N GLU A 78 -7.364 -1.615 1.029 1.00 0.00 N ATOM 1116 CA GLU A 78 -8.156 -0.511 0.405 1.00 0.00 C ATOM 1117 C GLU A 78 -9.098 0.111 1.447 1.00 0.00 C ATOM 1118 O GLU A 78 -9.304 1.311 1.456 1.00 0.00 O ATOM 1119 CB GLU A 78 -8.966 -1.071 -0.775 1.00 0.00 C ATOM 1120 CG GLU A 78 -9.806 0.040 -1.419 1.00 0.00 C ATOM 1121 CD GLU A 78 -10.676 -0.556 -2.528 1.00 0.00 C ATOM 1122 OE1 GLU A 78 -10.141 -1.287 -3.346 1.00 0.00 O ATOM 1123 OE2 GLU A 78 -11.863 -0.273 -2.539 1.00 0.00 O ATOM 0 H GLU A 78 -7.519 -2.539 0.626 1.00 0.00 H new ATOM 0 HA GLU A 78 -7.479 0.262 0.042 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -8.292 -1.502 -1.515 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -9.617 -1.874 -0.430 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -10.434 0.518 -0.667 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -9.155 0.812 -1.828 1.00 0.00 H new ATOM 1130 N GLU A 79 -9.672 -0.684 2.321 1.00 0.00 N ATOM 1131 CA GLU A 79 -10.598 -0.114 3.347 1.00 0.00 C ATOM 1132 C GLU A 79 -9.784 0.653 4.400 1.00 0.00 C ATOM 1133 O GLU A 79 -10.265 1.595 4.999 1.00 0.00 O ATOM 1134 CB GLU A 79 -11.440 -1.241 3.992 1.00 0.00 C ATOM 1135 CG GLU A 79 -10.623 -2.042 5.025 1.00 0.00 C ATOM 1136 CD GLU A 79 -10.840 -3.549 4.825 1.00 0.00 C ATOM 1137 OE1 GLU A 79 -11.826 -3.918 4.205 1.00 0.00 O ATOM 1138 OE2 GLU A 79 -10.015 -4.309 5.305 1.00 0.00 O ATOM 0 H GLU A 79 -9.539 -1.694 2.367 1.00 0.00 H new ATOM 0 HA GLU A 79 -11.289 0.583 2.872 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -12.316 -0.809 4.476 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -11.804 -1.913 3.215 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -9.564 -1.804 4.925 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -10.920 -1.756 6.034 1.00 0.00 H new ATOM 1145 N THR A 80 -8.555 0.256 4.618 1.00 0.00 N ATOM 1146 CA THR A 80 -7.701 0.961 5.620 1.00 0.00 C ATOM 1147 C THR A 80 -7.384 2.364 5.099 1.00 0.00 C ATOM 1148 O THR A 80 -7.338 3.321 5.848 1.00 0.00 O ATOM 1149 CB THR A 80 -6.398 0.180 5.818 1.00 0.00 C ATOM 1150 OG1 THR A 80 -6.703 -1.159 6.183 1.00 0.00 O ATOM 1151 CG2 THR A 80 -5.566 0.836 6.922 1.00 0.00 C ATOM 0 H THR A 80 -8.106 -0.528 4.144 1.00 0.00 H new ATOM 0 HA THR A 80 -8.226 1.031 6.573 1.00 0.00 H new ATOM 0 HB THR A 80 -5.828 0.184 4.889 1.00 0.00 H new ATOM 0 HG1 THR A 80 -5.871 -1.661 6.309 1.00 0.00 H new ATOM 0 HG21 THR A 80 -4.640 0.278 7.060 1.00 0.00 H new ATOM 0 HG22 THR A 80 -5.332 1.863 6.640 1.00 0.00 H new ATOM 0 HG23 THR A 80 -6.132 0.835 7.853 1.00 0.00 H new ATOM 1159 N MET A 81 -7.171 2.484 3.815 1.00 0.00 N ATOM 1160 CA MET A 81 -6.860 3.814 3.216 1.00 0.00 C ATOM 1161 C MET A 81 -8.117 4.689 3.229 1.00 0.00 C ATOM 1162 O MET A 81 -8.037 5.903 3.272 1.00 0.00 O ATOM 1163 CB MET A 81 -6.388 3.615 1.771 1.00 0.00 C ATOM 1164 CG MET A 81 -4.892 3.265 1.752 1.00 0.00 C ATOM 1165 SD MET A 81 -3.933 4.649 1.079 1.00 0.00 S ATOM 1166 CE MET A 81 -2.375 3.757 0.849 1.00 0.00 C ATOM 0 H MET A 81 -7.200 1.711 3.151 1.00 0.00 H new ATOM 0 HA MET A 81 -6.076 4.303 3.794 1.00 0.00 H new ATOM 0 HB2 MET A 81 -6.963 2.819 1.298 1.00 0.00 H new ATOM 0 HB3 MET A 81 -6.565 4.522 1.193 1.00 0.00 H new ATOM 0 HG2 MET A 81 -4.552 3.035 2.762 1.00 0.00 H new ATOM 0 HG3 MET A 81 -4.728 2.372 1.149 1.00 0.00 H new ATOM 0 HE1 MET A 81 -1.627 4.433 0.435 1.00 0.00 H new ATOM 0 HE2 MET A 81 -2.028 3.376 1.810 1.00 0.00 H new ATOM 0 HE3 MET A 81 -2.530 2.924 0.164 1.00 0.00 H new ATOM 1176 N LYS A 82 -9.277 4.082 3.184 1.00 0.00 N ATOM 1177 CA LYS A 82 -10.546 4.869 3.186 1.00 0.00 C ATOM 1178 C LYS A 82 -10.990 5.168 4.626 1.00 0.00 C ATOM 1179 O LYS A 82 -11.803 6.043 4.856 1.00 0.00 O ATOM 1180 CB LYS A 82 -11.638 4.065 2.477 1.00 0.00 C ATOM 1181 CG LYS A 82 -11.251 3.862 1.010 1.00 0.00 C ATOM 1182 CD LYS A 82 -11.530 5.145 0.226 1.00 0.00 C ATOM 1183 CE LYS A 82 -11.189 4.927 -1.249 1.00 0.00 C ATOM 1184 NZ LYS A 82 -12.349 4.294 -1.937 1.00 0.00 N ATOM 0 H LYS A 82 -9.399 3.070 3.146 1.00 0.00 H new ATOM 0 HA LYS A 82 -10.378 5.812 2.666 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -11.770 3.100 2.966 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -12.592 4.589 2.544 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -10.196 3.599 0.934 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -11.817 3.033 0.585 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -12.578 5.427 0.330 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -10.938 5.966 0.629 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -10.947 5.879 -1.722 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -10.308 4.292 -1.340 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -12.119 4.145 -2.940 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -12.560 3.379 -1.491 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -13.179 4.916 -1.861 1.00 0.00 H new ATOM 1198 N SER A 83 -10.471 4.449 5.593 1.00 0.00 N ATOM 1199 CA SER A 83 -10.873 4.692 7.011 1.00 0.00 C ATOM 1200 C SER A 83 -10.210 5.972 7.526 1.00 0.00 C ATOM 1201 O SER A 83 -10.866 6.852 8.051 1.00 0.00 O ATOM 1202 CB SER A 83 -10.438 3.509 7.875 1.00 0.00 C ATOM 1203 OG SER A 83 -9.025 3.372 7.808 1.00 0.00 O ATOM 0 H SER A 83 -9.786 3.705 5.459 1.00 0.00 H new ATOM 0 HA SER A 83 -11.956 4.802 7.063 1.00 0.00 H new ATOM 0 HB2 SER A 83 -10.751 3.664 8.908 1.00 0.00 H new ATOM 0 HB3 SER A 83 -10.920 2.595 7.529 1.00 0.00 H new ATOM 0 HG SER A 83 -8.746 3.318 6.870 1.00 0.00 H new ATOM 1209 N GLU A 84 -8.912 6.078 7.383 1.00 0.00 N ATOM 1210 CA GLU A 84 -8.198 7.297 7.865 1.00 0.00 C ATOM 1211 C GLU A 84 -8.112 8.323 6.735 1.00 0.00 C ATOM 1212 O GLU A 84 -8.182 9.516 6.963 1.00 0.00 O ATOM 1213 CB GLU A 84 -6.787 6.915 8.316 1.00 0.00 C ATOM 1214 CG GLU A 84 -6.827 6.425 9.765 1.00 0.00 C ATOM 1215 CD GLU A 84 -5.401 6.254 10.288 1.00 0.00 C ATOM 1216 OE1 GLU A 84 -4.620 5.597 9.619 1.00 0.00 O ATOM 1217 OE2 GLU A 84 -5.112 6.784 11.348 1.00 0.00 O ATOM 0 H GLU A 84 -8.316 5.371 6.952 1.00 0.00 H new ATOM 0 HA GLU A 84 -8.745 7.729 8.703 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -6.386 6.135 7.669 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -6.122 7.774 8.230 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -7.370 7.138 10.386 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -7.363 5.478 9.825 1.00 0.00 H new ATOM 1224 N GLY A 85 -7.960 7.866 5.519 1.00 0.00 N ATOM 1225 CA GLY A 85 -7.866 8.810 4.365 1.00 0.00 C ATOM 1226 C GLY A 85 -6.413 8.904 3.902 1.00 0.00 C ATOM 1227 O GLY A 85 -5.899 9.978 3.651 1.00 0.00 O ATOM 0 H GLY A 85 -7.897 6.878 5.275 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -8.498 8.465 3.547 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -8.231 9.795 4.656 1.00 0.00 H new ATOM 1231 N LEU A 86 -5.746 7.784 3.789 1.00 0.00 N ATOM 1232 CA LEU A 86 -4.323 7.792 3.343 1.00 0.00 C ATOM 1233 C LEU A 86 -4.263 7.886 1.817 1.00 0.00 C ATOM 1234 O LEU A 86 -3.323 8.419 1.257 1.00 0.00 O ATOM 1235 CB LEU A 86 -3.642 6.504 3.803 1.00 0.00 C ATOM 1236 CG LEU A 86 -3.448 6.546 5.318 1.00 0.00 C ATOM 1237 CD1 LEU A 86 -2.917 5.198 5.800 1.00 0.00 C ATOM 1238 CD2 LEU A 86 -2.444 7.645 5.674 1.00 0.00 C ATOM 0 H LEU A 86 -6.129 6.860 3.988 1.00 0.00 H new ATOM 0 HA LEU A 86 -3.811 8.651 3.777 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -4.247 5.641 3.527 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -2.679 6.391 3.305 1.00 0.00 H new ATOM 0 HG LEU A 86 -4.403 6.755 5.801 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -2.778 5.227 6.881 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -3.631 4.414 5.547 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -1.962 4.989 5.317 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -2.306 7.675 6.755 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -1.489 7.436 5.191 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -2.821 8.608 5.330 1.00 0.00 H new ATOM 1250 N GLY A 87 -5.260 7.371 1.142 1.00 0.00 N ATOM 1251 CA GLY A 87 -5.270 7.423 -0.349 1.00 0.00 C ATOM 1252 C GLY A 87 -6.595 6.863 -0.870 1.00 0.00 C ATOM 1253 O GLY A 87 -7.367 6.285 -0.128 1.00 0.00 O ATOM 0 H GLY A 87 -6.070 6.915 1.563 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -5.139 8.450 -0.689 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -4.436 6.846 -0.749 1.00 0.00 H new ATOM 1257 N GLU A 88 -6.863 7.034 -2.140 1.00 0.00 N ATOM 1258 CA GLU A 88 -8.138 6.517 -2.716 1.00 0.00 C ATOM 1259 C GLU A 88 -7.911 6.099 -4.171 1.00 0.00 C ATOM 1260 O GLU A 88 -8.869 6.112 -4.927 1.00 0.00 O ATOM 1261 CB GLU A 88 -9.200 7.617 -2.660 1.00 0.00 C ATOM 1262 CG GLU A 88 -8.664 8.883 -3.333 1.00 0.00 C ATOM 1263 CD GLU A 88 -9.718 9.988 -3.258 1.00 0.00 C ATOM 1264 OE1 GLU A 88 -10.297 10.157 -2.197 1.00 0.00 O ATOM 1265 OE2 GLU A 88 -9.929 10.648 -4.262 1.00 0.00 O ATOM 1266 OXT GLU A 88 -6.786 5.772 -4.504 1.00 0.00 O ATOM 0 H GLU A 88 -6.251 7.511 -2.803 1.00 0.00 H new ATOM 0 HA GLU A 88 -8.474 5.654 -2.141 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -10.109 7.284 -3.160 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -9.465 7.828 -1.624 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -7.746 9.208 -2.842 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -8.413 8.676 -4.373 1.00 0.00 H new TER 1273 GLU A 88