USER MOD reduce.3.24.130724 H: found=0, std=0, add=634, rem=0, adj=18 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 12 SER OG : rot 141:sc= 1.27 USER MOD Set 1.2: A 15 HIS : no HE2:sc= -5.16! C(o=-3.9!,f=-13!) USER MOD Single : A 3 GLN : amide:sc= -0.0518 K(o=-0.052,f=-0.99) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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 20 THR OG1 : rot 74:sc= 1.27 USER MOD Single : A 24 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 25 THR OG1 : rot 86:sc= 0.337 USER MOD Single : A 27 SER OG : rot 103:sc= 1.18 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 TYR OH : rot 180:sc= -1.56 USER MOD Single : A 34 ASN : amide:sc= 0 X(o=0,f=-0.078) USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 ASN : amide:sc= -0.835 K(o=-0.83,f=0.58) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 ASN : amide:sc= -1.19 K(o=-1.2,f=-3.7!) USER MOD Single : A 45 LYS NZ :NH3+ 171:sc= 0.196 (180deg=0.136) 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 180:sc= -0.977 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 40:sc= 0.109 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 71 ASN : amide:sc= -1.8 K(o=-1.8,f=-2.6!) USER MOD Single : A 75 ASN : amide:sc= -5.25 K(o=-5.3,f=-18!) USER MOD Single : A 80 THR OG1 : rot 81:sc= -0.453! 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 -92:sc= 1.06 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 2 11.009 -0.399 10.002 1.00 0.00 N ATOM 2 CA ALA A 2 10.797 -0.511 8.511 1.00 0.00 C ATOM 3 C ALA A 2 9.350 -0.142 8.149 1.00 0.00 C ATOM 4 O ALA A 2 9.118 0.651 7.256 1.00 0.00 O ATOM 5 CB ALA A 2 11.115 -1.925 7.997 1.00 0.00 C ATOM 0 HA ALA A 2 11.482 0.187 8.030 1.00 0.00 H new ATOM 0 HB1 ALA A 2 10.951 -1.966 6.920 1.00 0.00 H new ATOM 0 HB2 ALA A 2 12.156 -2.166 8.215 1.00 0.00 H new ATOM 0 HB3 ALA A 2 10.465 -2.647 8.491 1.00 0.00 H new ATOM 11 N GLN A 3 8.378 -0.708 8.825 1.00 0.00 N ATOM 12 CA GLN A 3 6.950 -0.387 8.512 1.00 0.00 C ATOM 13 C GLN A 3 6.703 1.115 8.682 1.00 0.00 C ATOM 14 O GLN A 3 7.369 1.781 9.453 1.00 0.00 O ATOM 15 CB GLN A 3 6.027 -1.164 9.458 1.00 0.00 C ATOM 16 CG GLN A 3 6.371 -0.840 10.916 1.00 0.00 C ATOM 17 CD GLN A 3 5.675 -1.845 11.838 1.00 0.00 C ATOM 18 OE1 GLN A 3 5.616 -3.021 11.540 1.00 0.00 O ATOM 19 NE2 GLN A 3 5.141 -1.426 12.953 1.00 0.00 N ATOM 0 H GLN A 3 8.513 -1.379 9.581 1.00 0.00 H new ATOM 0 HA GLN A 3 6.740 -0.672 7.481 1.00 0.00 H new ATOM 0 HB2 GLN A 3 4.987 -0.907 9.256 1.00 0.00 H new ATOM 0 HB3 GLN A 3 6.131 -2.235 9.281 1.00 0.00 H new ATOM 0 HG2 GLN A 3 7.450 -0.881 11.064 1.00 0.00 H new ATOM 0 HG3 GLN A 3 6.054 0.174 11.159 1.00 0.00 H new ATOM 0 HE21 GLN A 3 5.191 -0.438 13.203 1.00 0.00 H new ATOM 0 HE22 GLN A 3 4.674 -2.086 13.574 1.00 0.00 H new ATOM 28 N LYS A 4 5.747 1.647 7.966 1.00 0.00 N ATOM 29 CA LYS A 4 5.439 3.102 8.073 1.00 0.00 C ATOM 30 C LYS A 4 3.926 3.308 7.963 1.00 0.00 C ATOM 31 O LYS A 4 3.177 2.367 7.783 1.00 0.00 O ATOM 32 CB LYS A 4 6.146 3.858 6.942 1.00 0.00 C ATOM 33 CG LYS A 4 6.693 5.185 7.473 1.00 0.00 C ATOM 34 CD LYS A 4 6.673 6.232 6.358 1.00 0.00 C ATOM 35 CE LYS A 4 6.388 7.611 6.958 1.00 0.00 C ATOM 36 NZ LYS A 4 7.122 8.652 6.182 1.00 0.00 N ATOM 0 H LYS A 4 5.163 1.131 7.308 1.00 0.00 H new ATOM 0 HA LYS A 4 5.788 3.481 9.033 1.00 0.00 H new ATOM 0 HB2 LYS A 4 6.959 3.253 6.540 1.00 0.00 H new ATOM 0 HB3 LYS A 4 5.450 4.042 6.123 1.00 0.00 H new ATOM 0 HG2 LYS A 4 6.092 5.526 8.316 1.00 0.00 H new ATOM 0 HG3 LYS A 4 7.710 5.050 7.840 1.00 0.00 H new ATOM 0 HD2 LYS A 4 7.630 6.241 5.836 1.00 0.00 H new ATOM 0 HD3 LYS A 4 5.911 5.980 5.621 1.00 0.00 H new ATOM 0 HE2 LYS A 4 5.317 7.814 6.937 1.00 0.00 H new ATOM 0 HE3 LYS A 4 6.697 7.636 8.003 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 6.929 9.589 6.589 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 8.143 8.460 6.224 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 6.806 8.633 5.191 1.00 0.00 H new ATOM 50 N THR A 5 3.474 4.533 8.071 1.00 0.00 N ATOM 51 CA THR A 5 2.009 4.806 7.973 1.00 0.00 C ATOM 52 C THR A 5 1.758 5.859 6.893 1.00 0.00 C ATOM 53 O THR A 5 2.367 6.912 6.889 1.00 0.00 O ATOM 54 CB THR A 5 1.495 5.322 9.318 1.00 0.00 C ATOM 55 OG1 THR A 5 1.906 4.436 10.352 1.00 0.00 O ATOM 56 CG2 THR A 5 -0.033 5.398 9.288 1.00 0.00 C ATOM 0 H THR A 5 4.058 5.356 8.223 1.00 0.00 H new ATOM 0 HA THR A 5 1.485 3.886 7.713 1.00 0.00 H new ATOM 0 HB THR A 5 1.903 6.315 9.506 1.00 0.00 H new ATOM 0 HG1 THR A 5 1.579 4.766 11.215 1.00 0.00 H new ATOM 0 HG21 THR A 5 -0.398 5.766 10.247 1.00 0.00 H new ATOM 0 HG22 THR A 5 -0.348 6.077 8.495 1.00 0.00 H new ATOM 0 HG23 THR A 5 -0.443 4.406 9.100 1.00 0.00 H new ATOM 64 N PHE A 6 0.864 5.580 5.978 1.00 0.00 N ATOM 65 CA PHE A 6 0.566 6.559 4.892 1.00 0.00 C ATOM 66 C PHE A 6 -0.890 7.015 5.003 1.00 0.00 C ATOM 67 O PHE A 6 -1.752 6.267 5.424 1.00 0.00 O ATOM 68 CB PHE A 6 0.792 5.897 3.531 1.00 0.00 C ATOM 69 CG PHE A 6 2.261 5.585 3.365 1.00 0.00 C ATOM 70 CD1 PHE A 6 2.791 4.408 3.906 1.00 0.00 C ATOM 71 CD2 PHE A 6 3.090 6.473 2.671 1.00 0.00 C ATOM 72 CE1 PHE A 6 4.153 4.119 3.752 1.00 0.00 C ATOM 73 CE2 PHE A 6 4.451 6.185 2.518 1.00 0.00 C ATOM 74 CZ PHE A 6 4.983 5.008 3.058 1.00 0.00 C ATOM 0 H PHE A 6 0.327 4.714 5.937 1.00 0.00 H new ATOM 0 HA PHE A 6 1.225 7.422 4.989 1.00 0.00 H new ATOM 0 HB2 PHE A 6 0.204 4.982 3.456 1.00 0.00 H new ATOM 0 HB3 PHE A 6 0.456 6.558 2.732 1.00 0.00 H new ATOM 0 HD1 PHE A 6 2.150 3.723 4.442 1.00 0.00 H new ATOM 0 HD2 PHE A 6 2.680 7.381 2.253 1.00 0.00 H new ATOM 0 HE1 PHE A 6 4.563 3.211 4.168 1.00 0.00 H new ATOM 0 HE2 PHE A 6 5.091 6.871 1.983 1.00 0.00 H new ATOM 0 HZ PHE A 6 6.033 4.786 2.939 1.00 0.00 H new ATOM 84 N LYS A 7 -1.164 8.239 4.631 1.00 0.00 N ATOM 85 CA LYS A 7 -2.562 8.756 4.713 1.00 0.00 C ATOM 86 C LYS A 7 -3.119 8.954 3.303 1.00 0.00 C ATOM 87 O LYS A 7 -2.638 9.780 2.548 1.00 0.00 O ATOM 88 CB LYS A 7 -2.565 10.094 5.455 1.00 0.00 C ATOM 89 CG LYS A 7 -3.853 10.226 6.271 1.00 0.00 C ATOM 90 CD LYS A 7 -4.256 11.701 6.357 1.00 0.00 C ATOM 91 CE LYS A 7 -4.873 11.984 7.727 1.00 0.00 C ATOM 92 NZ LYS A 7 -4.603 13.399 8.108 1.00 0.00 N ATOM 0 H LYS A 7 -0.478 8.904 4.273 1.00 0.00 H new ATOM 0 HA LYS A 7 -3.184 8.039 5.249 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -1.698 10.159 6.112 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -2.488 10.916 4.743 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -4.651 9.647 5.807 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -3.705 9.820 7.272 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -3.384 12.336 6.201 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -4.970 11.940 5.569 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -5.947 11.802 7.699 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -4.455 11.309 8.473 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -5.022 13.594 9.040 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -3.576 13.557 8.150 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -5.022 14.035 7.400 1.00 0.00 H new ATOM 106 N VAL A 8 -4.129 8.203 2.945 1.00 0.00 N ATOM 107 CA VAL A 8 -4.729 8.343 1.585 1.00 0.00 C ATOM 108 C VAL A 8 -5.710 9.514 1.588 1.00 0.00 C ATOM 109 O VAL A 8 -6.540 9.634 2.471 1.00 0.00 O ATOM 110 CB VAL A 8 -5.470 7.055 1.215 1.00 0.00 C ATOM 111 CG1 VAL A 8 -5.911 7.123 -0.248 1.00 0.00 C ATOM 112 CG2 VAL A 8 -4.541 5.853 1.409 1.00 0.00 C ATOM 0 H VAL A 8 -4.565 7.497 3.538 1.00 0.00 H new ATOM 0 HA VAL A 8 -3.941 8.526 0.855 1.00 0.00 H new ATOM 0 HB VAL A 8 -6.345 6.945 1.856 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -6.439 6.206 -0.512 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -6.574 7.977 -0.389 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -5.035 7.234 -0.887 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -5.071 4.938 1.145 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -3.665 5.963 0.769 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -4.225 5.802 2.451 1.00 0.00 H new ATOM 122 N THR A 9 -5.618 10.381 0.611 1.00 0.00 N ATOM 123 CA THR A 9 -6.542 11.553 0.554 1.00 0.00 C ATOM 124 C THR A 9 -7.361 11.534 -0.747 1.00 0.00 C ATOM 125 O THR A 9 -8.201 12.388 -0.959 1.00 0.00 O ATOM 126 CB THR A 9 -5.722 12.844 0.617 1.00 0.00 C ATOM 127 OG1 THR A 9 -4.832 12.785 1.724 1.00 0.00 O ATOM 128 CG2 THR A 9 -6.661 14.041 0.778 1.00 0.00 C ATOM 0 H THR A 9 -4.941 10.327 -0.150 1.00 0.00 H new ATOM 0 HA THR A 9 -7.228 11.502 1.400 1.00 0.00 H new ATOM 0 HB THR A 9 -5.150 12.956 -0.304 1.00 0.00 H new ATOM 0 HG1 THR A 9 -4.305 13.610 1.764 1.00 0.00 H new ATOM 0 HG21 THR A 9 -6.075 14.959 0.823 1.00 0.00 H new ATOM 0 HG22 THR A 9 -7.342 14.086 -0.072 1.00 0.00 H new ATOM 0 HG23 THR A 9 -7.235 13.932 1.698 1.00 0.00 H new ATOM 136 N ALA A 10 -7.130 10.577 -1.619 1.00 0.00 N ATOM 137 CA ALA A 10 -7.903 10.523 -2.897 1.00 0.00 C ATOM 138 C ALA A 10 -9.389 10.326 -2.585 1.00 0.00 C ATOM 139 O ALA A 10 -9.757 9.512 -1.759 1.00 0.00 O ATOM 140 CB ALA A 10 -7.400 9.356 -3.748 1.00 0.00 C ATOM 0 H ALA A 10 -6.441 9.835 -1.498 1.00 0.00 H new ATOM 0 HA ALA A 10 -7.767 11.456 -3.445 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -7.963 9.316 -4.680 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -6.342 9.496 -3.969 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -7.536 8.422 -3.202 1.00 0.00 H new ATOM 146 N ASP A 11 -10.244 11.068 -3.242 1.00 0.00 N ATOM 147 CA ASP A 11 -11.710 10.935 -2.993 1.00 0.00 C ATOM 148 C ASP A 11 -12.172 9.520 -3.356 1.00 0.00 C ATOM 149 O ASP A 11 -13.130 9.013 -2.804 1.00 0.00 O ATOM 150 CB ASP A 11 -12.467 11.953 -3.849 1.00 0.00 C ATOM 151 CG ASP A 11 -12.066 11.785 -5.316 1.00 0.00 C ATOM 152 OD1 ASP A 11 -12.420 10.772 -5.895 1.00 0.00 O ATOM 153 OD2 ASP A 11 -11.410 12.674 -5.835 1.00 0.00 O ATOM 0 H ASP A 11 -9.988 11.763 -3.943 1.00 0.00 H new ATOM 0 HA ASP A 11 -11.913 11.120 -1.938 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -13.542 11.811 -3.736 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -12.242 12.965 -3.513 1.00 0.00 H new ATOM 158 N SER A 12 -11.501 8.886 -4.284 1.00 0.00 N ATOM 159 CA SER A 12 -11.899 7.505 -4.695 1.00 0.00 C ATOM 160 C SER A 12 -11.493 6.505 -3.610 1.00 0.00 C ATOM 161 O SER A 12 -12.124 5.479 -3.436 1.00 0.00 O ATOM 162 CB SER A 12 -11.199 7.144 -6.006 1.00 0.00 C ATOM 163 OG SER A 12 -9.822 6.905 -5.752 1.00 0.00 O ATOM 0 H SER A 12 -10.693 9.266 -4.776 1.00 0.00 H new ATOM 0 HA SER A 12 -12.980 7.467 -4.833 1.00 0.00 H new ATOM 0 HB2 SER A 12 -11.659 6.259 -6.445 1.00 0.00 H new ATOM 0 HB3 SER A 12 -11.313 7.953 -6.727 1.00 0.00 H new ATOM 0 HG SER A 12 -9.517 6.145 -6.290 1.00 0.00 H new ATOM 169 N GLY A 13 -10.444 6.795 -2.882 1.00 0.00 N ATOM 170 CA GLY A 13 -9.991 5.864 -1.811 1.00 0.00 C ATOM 171 C GLY A 13 -9.015 4.848 -2.406 1.00 0.00 C ATOM 172 O GLY A 13 -8.112 5.204 -3.139 1.00 0.00 O ATOM 0 H GLY A 13 -9.882 7.640 -2.986 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -9.509 6.422 -1.008 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -10.847 5.350 -1.373 1.00 0.00 H new ATOM 176 N ILE A 14 -9.188 3.586 -2.096 1.00 0.00 N ATOM 177 CA ILE A 14 -8.267 2.548 -2.644 1.00 0.00 C ATOM 178 C ILE A 14 -9.078 1.453 -3.344 1.00 0.00 C ATOM 179 O ILE A 14 -9.544 0.517 -2.722 1.00 0.00 O ATOM 180 CB ILE A 14 -7.449 1.939 -1.504 1.00 0.00 C ATOM 181 CG1 ILE A 14 -6.765 3.064 -0.717 1.00 0.00 C ATOM 182 CG2 ILE A 14 -6.387 1.001 -2.082 1.00 0.00 C ATOM 183 CD1 ILE A 14 -6.041 2.480 0.499 1.00 0.00 C ATOM 0 H ILE A 14 -9.927 3.233 -1.488 1.00 0.00 H new ATOM 0 HA ILE A 14 -7.593 3.008 -3.367 1.00 0.00 H new ATOM 0 HB ILE A 14 -8.106 1.376 -0.842 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -6.055 3.589 -1.357 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -7.505 3.796 -0.394 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -5.804 0.567 -1.270 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -6.873 0.205 -2.646 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -5.727 1.562 -2.743 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -5.557 3.283 1.055 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -6.761 1.976 1.144 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -5.289 1.765 0.166 1.00 0.00 H new ATOM 195 N HIS A 15 -9.245 1.569 -4.638 1.00 0.00 N ATOM 196 CA HIS A 15 -10.021 0.542 -5.401 1.00 0.00 C ATOM 197 C HIS A 15 -9.056 -0.260 -6.294 1.00 0.00 C ATOM 198 O HIS A 15 -7.856 -0.228 -6.098 1.00 0.00 O ATOM 199 CB HIS A 15 -11.130 1.221 -6.244 1.00 0.00 C ATOM 200 CG HIS A 15 -10.668 2.541 -6.813 1.00 0.00 C ATOM 201 ND1 HIS A 15 -10.334 2.693 -8.149 1.00 0.00 N ATOM 202 CD2 HIS A 15 -10.502 3.779 -6.242 1.00 0.00 C ATOM 203 CE1 HIS A 15 -9.989 3.981 -8.336 1.00 0.00 C ATOM 204 NE2 HIS A 15 -10.075 4.687 -7.206 1.00 0.00 N ATOM 0 H HIS A 15 -8.875 2.335 -5.202 1.00 0.00 H new ATOM 0 HA HIS A 15 -10.508 -0.142 -4.706 1.00 0.00 H new ATOM 0 HB2 HIS A 15 -11.427 0.558 -7.057 1.00 0.00 H new ATOM 0 HB3 HIS A 15 -12.012 1.380 -5.624 1.00 0.00 H new ATOM 0 HD1 HIS A 15 -10.347 1.963 -8.861 1.00 0.00 H new ATOM 0 HD2 HIS A 15 -10.676 4.012 -5.202 1.00 0.00 H new ATOM 0 HE1 HIS A 15 -9.680 4.393 -9.285 1.00 0.00 H new ATOM 212 N ALA A 16 -9.566 -1.005 -7.246 1.00 0.00 N ATOM 213 CA ALA A 16 -8.683 -1.836 -8.125 1.00 0.00 C ATOM 214 C ALA A 16 -7.700 -0.969 -8.929 1.00 0.00 C ATOM 215 O ALA A 16 -6.630 -1.426 -9.287 1.00 0.00 O ATOM 216 CB ALA A 16 -9.554 -2.633 -9.097 1.00 0.00 C ATOM 0 H ALA A 16 -10.562 -1.073 -7.453 1.00 0.00 H new ATOM 0 HA ALA A 16 -8.103 -2.503 -7.487 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -8.918 -3.241 -9.741 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -10.227 -3.281 -8.535 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -10.139 -1.946 -9.709 1.00 0.00 H new ATOM 222 N ARG A 17 -8.050 0.257 -9.241 1.00 0.00 N ATOM 223 CA ARG A 17 -7.122 1.116 -10.048 1.00 0.00 C ATOM 224 C ARG A 17 -5.803 1.344 -9.277 1.00 0.00 C ATOM 225 O ARG A 17 -4.754 0.960 -9.759 1.00 0.00 O ATOM 226 CB ARG A 17 -7.796 2.459 -10.366 1.00 0.00 C ATOM 227 CG ARG A 17 -7.972 2.612 -11.882 1.00 0.00 C ATOM 228 CD ARG A 17 -9.397 2.214 -12.287 1.00 0.00 C ATOM 229 NE ARG A 17 -10.015 3.316 -13.083 1.00 0.00 N ATOM 230 CZ ARG A 17 -9.491 3.672 -14.225 1.00 0.00 C ATOM 231 NH1 ARG A 17 -9.729 2.970 -15.299 1.00 0.00 N ATOM 232 NH2 ARG A 17 -8.731 4.730 -14.291 1.00 0.00 N ATOM 0 H ARG A 17 -8.930 0.698 -8.975 1.00 0.00 H new ATOM 0 HA ARG A 17 -6.892 0.609 -10.985 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -8.766 2.515 -9.872 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -7.193 3.279 -9.977 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -7.776 3.643 -12.177 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -7.248 1.987 -12.405 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -9.377 1.295 -12.873 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -9.996 2.013 -11.399 1.00 0.00 H new ATOM 0 HE ARG A 17 -10.847 3.791 -12.734 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -10.324 2.143 -15.246 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -9.320 3.248 -16.191 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -8.546 5.279 -13.451 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -8.321 5.009 -15.183 1.00 0.00 H new ATOM 246 N PRO A 18 -5.869 1.946 -8.100 1.00 0.00 N ATOM 247 CA PRO A 18 -4.657 2.191 -7.294 1.00 0.00 C ATOM 248 C PRO A 18 -4.118 0.879 -6.709 1.00 0.00 C ATOM 249 O PRO A 18 -2.981 0.809 -6.280 1.00 0.00 O ATOM 250 CB PRO A 18 -5.131 3.139 -6.190 1.00 0.00 C ATOM 251 CG PRO A 18 -6.658 2.950 -6.087 1.00 0.00 C ATOM 252 CD PRO A 18 -7.120 2.423 -7.458 1.00 0.00 C ATOM 0 HA PRO A 18 -3.839 2.613 -7.878 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -4.645 2.907 -5.242 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -4.882 4.172 -6.431 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -6.910 2.246 -5.294 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -7.151 3.892 -5.846 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -7.846 1.617 -7.352 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -7.597 3.207 -8.047 1.00 0.00 H new ATOM 260 N ALA A 19 -4.917 -0.163 -6.699 1.00 0.00 N ATOM 261 CA ALA A 19 -4.441 -1.469 -6.158 1.00 0.00 C ATOM 262 C ALA A 19 -3.551 -2.151 -7.200 1.00 0.00 C ATOM 263 O ALA A 19 -2.676 -2.927 -6.866 1.00 0.00 O ATOM 264 CB ALA A 19 -5.643 -2.363 -5.849 1.00 0.00 C ATOM 0 H ALA A 19 -5.877 -0.161 -7.043 1.00 0.00 H new ATOM 0 HA ALA A 19 -3.872 -1.301 -5.244 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -5.295 -3.317 -5.454 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -6.279 -1.875 -5.111 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -6.213 -2.535 -6.762 1.00 0.00 H new ATOM 270 N THR A 20 -3.770 -1.865 -8.462 1.00 0.00 N ATOM 271 CA THR A 20 -2.940 -2.489 -9.534 1.00 0.00 C ATOM 272 C THR A 20 -1.613 -1.736 -9.652 1.00 0.00 C ATOM 273 O THR A 20 -0.584 -2.320 -9.938 1.00 0.00 O ATOM 274 CB THR A 20 -3.694 -2.415 -10.867 1.00 0.00 C ATOM 275 OG1 THR A 20 -4.973 -3.016 -10.718 1.00 0.00 O ATOM 276 CG2 THR A 20 -2.904 -3.154 -11.949 1.00 0.00 C ATOM 0 H THR A 20 -4.491 -1.224 -8.793 1.00 0.00 H new ATOM 0 HA THR A 20 -2.743 -3.532 -9.286 1.00 0.00 H new ATOM 0 HB THR A 20 -3.812 -1.372 -11.159 1.00 0.00 H new ATOM 0 HG1 THR A 20 -5.554 -2.424 -10.196 1.00 0.00 H new ATOM 0 HG21 THR A 20 -3.443 -3.099 -12.895 1.00 0.00 H new ATOM 0 HG22 THR A 20 -1.923 -2.692 -12.063 1.00 0.00 H new ATOM 0 HG23 THR A 20 -2.782 -4.198 -11.661 1.00 0.00 H new ATOM 284 N VAL A 21 -1.629 -0.446 -9.432 1.00 0.00 N ATOM 285 CA VAL A 21 -0.369 0.349 -9.526 1.00 0.00 C ATOM 286 C VAL A 21 0.461 0.144 -8.254 1.00 0.00 C ATOM 287 O VAL A 21 1.676 0.213 -8.279 1.00 0.00 O ATOM 288 CB VAL A 21 -0.713 1.833 -9.679 1.00 0.00 C ATOM 289 CG1 VAL A 21 0.569 2.640 -9.903 1.00 0.00 C ATOM 290 CG2 VAL A 21 -1.643 2.020 -10.880 1.00 0.00 C ATOM 0 H VAL A 21 -2.462 0.091 -9.191 1.00 0.00 H new ATOM 0 HA VAL A 21 0.206 0.019 -10.391 1.00 0.00 H new ATOM 0 HB VAL A 21 -1.208 2.182 -8.773 1.00 0.00 H new ATOM 0 HG11 VAL A 21 0.320 3.696 -10.011 1.00 0.00 H new ATOM 0 HG12 VAL A 21 1.235 2.510 -9.050 1.00 0.00 H new ATOM 0 HG13 VAL A 21 1.066 2.290 -10.808 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -1.888 3.076 -10.989 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -1.146 1.668 -11.784 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -2.558 1.449 -10.724 1.00 0.00 H new ATOM 300 N LEU A 22 -0.187 -0.107 -7.144 1.00 0.00 N ATOM 301 CA LEU A 22 0.553 -0.314 -5.865 1.00 0.00 C ATOM 302 C LEU A 22 1.083 -1.747 -5.798 1.00 0.00 C ATOM 303 O LEU A 22 2.136 -2.000 -5.243 1.00 0.00 O ATOM 304 CB LEU A 22 -0.388 -0.065 -4.684 1.00 0.00 C ATOM 305 CG LEU A 22 -0.582 1.440 -4.489 1.00 0.00 C ATOM 306 CD1 LEU A 22 -1.671 1.686 -3.446 1.00 0.00 C ATOM 307 CD2 LEU A 22 0.730 2.065 -4.010 1.00 0.00 C ATOM 0 H LEU A 22 -1.202 -0.177 -7.070 1.00 0.00 H new ATOM 0 HA LEU A 22 1.390 0.382 -5.819 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -1.350 -0.545 -4.865 1.00 0.00 H new ATOM 0 HB3 LEU A 22 0.024 -0.509 -3.778 1.00 0.00 H new ATOM 0 HG LEU A 22 -0.878 1.892 -5.436 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -1.808 2.759 -3.309 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -2.607 1.242 -3.785 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -1.377 1.234 -2.499 1.00 0.00 H new ATOM 0 HD21 LEU A 22 0.593 3.137 -3.871 1.00 0.00 H new ATOM 0 HD22 LEU A 22 1.025 1.611 -3.064 1.00 0.00 H new ATOM 0 HD23 LEU A 22 1.508 1.892 -4.754 1.00 0.00 H new ATOM 319 N VAL A 23 0.361 -2.686 -6.355 1.00 0.00 N ATOM 320 CA VAL A 23 0.818 -4.107 -6.323 1.00 0.00 C ATOM 321 C VAL A 23 2.000 -4.287 -7.285 1.00 0.00 C ATOM 322 O VAL A 23 2.843 -5.140 -7.092 1.00 0.00 O ATOM 323 CB VAL A 23 -0.345 -5.027 -6.726 1.00 0.00 C ATOM 324 CG1 VAL A 23 -0.782 -4.732 -8.163 1.00 0.00 C ATOM 325 CG2 VAL A 23 0.094 -6.490 -6.617 1.00 0.00 C ATOM 0 H VAL A 23 -0.527 -2.529 -6.831 1.00 0.00 H new ATOM 0 HA VAL A 23 1.142 -4.368 -5.315 1.00 0.00 H new ATOM 0 HB VAL A 23 -1.185 -4.845 -6.055 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -1.606 -5.391 -8.435 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -1.107 -3.694 -8.239 1.00 0.00 H new ATOM 0 HG13 VAL A 23 0.056 -4.900 -8.840 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -0.733 -7.140 -6.903 1.00 0.00 H new ATOM 0 HG22 VAL A 23 0.941 -6.666 -7.280 1.00 0.00 H new ATOM 0 HG23 VAL A 23 0.387 -6.706 -5.590 1.00 0.00 H new ATOM 335 N GLN A 24 2.058 -3.487 -8.320 1.00 0.00 N ATOM 336 CA GLN A 24 3.177 -3.600 -9.302 1.00 0.00 C ATOM 337 C GLN A 24 4.470 -3.077 -8.669 1.00 0.00 C ATOM 338 O GLN A 24 5.504 -3.717 -8.733 1.00 0.00 O ATOM 339 CB GLN A 24 2.849 -2.769 -10.545 1.00 0.00 C ATOM 340 CG GLN A 24 1.942 -3.576 -11.477 1.00 0.00 C ATOM 341 CD GLN A 24 1.828 -2.858 -12.823 1.00 0.00 C ATOM 342 OE1 GLN A 24 0.967 -2.020 -13.005 1.00 0.00 O ATOM 343 NE2 GLN A 24 2.665 -3.152 -13.780 1.00 0.00 N ATOM 0 H GLN A 24 1.375 -2.758 -8.527 1.00 0.00 H new ATOM 0 HA GLN A 24 3.307 -4.645 -9.584 1.00 0.00 H new ATOM 0 HB2 GLN A 24 2.356 -1.841 -10.255 1.00 0.00 H new ATOM 0 HB3 GLN A 24 3.767 -2.493 -11.063 1.00 0.00 H new ATOM 0 HG2 GLN A 24 2.348 -4.577 -11.620 1.00 0.00 H new ATOM 0 HG3 GLN A 24 0.955 -3.693 -11.030 1.00 0.00 H new ATOM 0 HE21 GLN A 24 3.388 -3.855 -13.627 1.00 0.00 H new ATOM 0 HE22 GLN A 24 2.597 -2.678 -14.681 1.00 0.00 H new ATOM 352 N THR A 25 4.419 -1.918 -8.063 1.00 0.00 N ATOM 353 CA THR A 25 5.642 -1.341 -7.426 1.00 0.00 C ATOM 354 C THR A 25 6.132 -2.268 -6.309 1.00 0.00 C ATOM 355 O THR A 25 7.289 -2.638 -6.263 1.00 0.00 O ATOM 356 CB THR A 25 5.311 0.033 -6.838 1.00 0.00 C ATOM 357 OG1 THR A 25 4.556 0.779 -7.783 1.00 0.00 O ATOM 358 CG2 THR A 25 6.605 0.779 -6.511 1.00 0.00 C ATOM 0 H THR A 25 3.580 -1.344 -7.982 1.00 0.00 H new ATOM 0 HA THR A 25 6.424 -1.239 -8.178 1.00 0.00 H new ATOM 0 HB THR A 25 4.730 -0.093 -5.924 1.00 0.00 H new ATOM 0 HG1 THR A 25 3.606 0.556 -7.692 1.00 0.00 H new ATOM 0 HG21 THR A 25 6.366 1.757 -6.093 1.00 0.00 H new ATOM 0 HG22 THR A 25 7.182 0.205 -5.786 1.00 0.00 H new ATOM 0 HG23 THR A 25 7.191 0.907 -7.421 1.00 0.00 H new ATOM 366 N ALA A 26 5.258 -2.638 -5.408 1.00 0.00 N ATOM 367 CA ALA A 26 5.662 -3.538 -4.287 1.00 0.00 C ATOM 368 C ALA A 26 6.075 -4.906 -4.840 1.00 0.00 C ATOM 369 O ALA A 26 6.855 -5.616 -4.235 1.00 0.00 O ATOM 370 CB ALA A 26 4.484 -3.711 -3.326 1.00 0.00 C ATOM 0 H ALA A 26 4.278 -2.354 -5.401 1.00 0.00 H new ATOM 0 HA ALA A 26 6.506 -3.096 -3.757 1.00 0.00 H new ATOM 0 HB1 ALA A 26 4.776 -4.368 -2.507 1.00 0.00 H new ATOM 0 HB2 ALA A 26 4.195 -2.739 -2.926 1.00 0.00 H new ATOM 0 HB3 ALA A 26 3.641 -4.150 -3.859 1.00 0.00 H new ATOM 376 N SER A 27 5.555 -5.278 -5.984 1.00 0.00 N ATOM 377 CA SER A 27 5.913 -6.599 -6.580 1.00 0.00 C ATOM 378 C SER A 27 7.388 -6.599 -6.986 1.00 0.00 C ATOM 379 O SER A 27 8.033 -7.631 -7.011 1.00 0.00 O ATOM 380 CB SER A 27 5.045 -6.850 -7.813 1.00 0.00 C ATOM 381 OG SER A 27 3.833 -7.478 -7.415 1.00 0.00 O ATOM 0 H SER A 27 4.897 -4.722 -6.530 1.00 0.00 H new ATOM 0 HA SER A 27 5.742 -7.386 -5.845 1.00 0.00 H new ATOM 0 HB2 SER A 27 4.831 -5.909 -8.319 1.00 0.00 H new ATOM 0 HB3 SER A 27 5.578 -7.480 -8.525 1.00 0.00 H new ATOM 0 HG SER A 27 3.109 -6.818 -7.411 1.00 0.00 H new ATOM 387 N LYS A 28 7.928 -5.449 -7.303 1.00 0.00 N ATOM 388 CA LYS A 28 9.362 -5.370 -7.710 1.00 0.00 C ATOM 389 C LYS A 28 10.257 -5.859 -6.566 1.00 0.00 C ATOM 390 O LYS A 28 11.364 -6.314 -6.788 1.00 0.00 O ATOM 391 CB LYS A 28 9.717 -3.919 -8.041 1.00 0.00 C ATOM 392 CG LYS A 28 9.006 -3.500 -9.328 1.00 0.00 C ATOM 393 CD LYS A 28 8.788 -1.984 -9.318 1.00 0.00 C ATOM 394 CE LYS A 28 10.034 -1.277 -9.862 1.00 0.00 C ATOM 395 NZ LYS A 28 9.783 -0.839 -11.264 1.00 0.00 N ATOM 0 H LYS A 28 7.433 -4.557 -7.297 1.00 0.00 H new ATOM 0 HA LYS A 28 9.520 -5.999 -8.586 1.00 0.00 H new ATOM 0 HB2 LYS A 28 9.422 -3.265 -7.221 1.00 0.00 H new ATOM 0 HB3 LYS A 28 10.796 -3.815 -8.159 1.00 0.00 H new ATOM 0 HG2 LYS A 28 9.601 -3.787 -10.195 1.00 0.00 H new ATOM 0 HG3 LYS A 28 8.049 -4.016 -9.412 1.00 0.00 H new ATOM 0 HD2 LYS A 28 7.919 -1.728 -9.925 1.00 0.00 H new ATOM 0 HD3 LYS A 28 8.579 -1.644 -8.304 1.00 0.00 H new ATOM 0 HE2 LYS A 28 10.278 -0.417 -9.239 1.00 0.00 H new ATOM 0 HE3 LYS A 28 10.891 -1.949 -9.827 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 10.628 -0.359 -11.634 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 9.570 -1.668 -11.854 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 8.976 -0.183 -11.284 1.00 0.00 H new ATOM 409 N TYR A 29 9.790 -5.763 -5.345 1.00 0.00 N ATOM 410 CA TYR A 29 10.614 -6.214 -4.186 1.00 0.00 C ATOM 411 C TYR A 29 10.088 -7.553 -3.671 1.00 0.00 C ATOM 412 O TYR A 29 8.896 -7.747 -3.524 1.00 0.00 O ATOM 413 CB TYR A 29 10.537 -5.169 -3.070 1.00 0.00 C ATOM 414 CG TYR A 29 10.929 -3.820 -3.625 1.00 0.00 C ATOM 415 CD1 TYR A 29 9.987 -3.050 -4.318 1.00 0.00 C ATOM 416 CD2 TYR A 29 12.234 -3.345 -3.457 1.00 0.00 C ATOM 417 CE1 TYR A 29 10.351 -1.804 -4.841 1.00 0.00 C ATOM 418 CE2 TYR A 29 12.598 -2.098 -3.978 1.00 0.00 C ATOM 419 CZ TYR A 29 11.656 -1.328 -4.671 1.00 0.00 C ATOM 420 OH TYR A 29 12.016 -0.100 -5.187 1.00 0.00 O ATOM 0 H TYR A 29 8.872 -5.391 -5.103 1.00 0.00 H new ATOM 0 HA TYR A 29 11.650 -6.333 -4.502 1.00 0.00 H new ATOM 0 HB2 TYR A 29 9.527 -5.128 -2.663 1.00 0.00 H new ATOM 0 HB3 TYR A 29 11.200 -5.445 -2.250 1.00 0.00 H new ATOM 0 HD1 TYR A 29 8.980 -3.417 -4.449 1.00 0.00 H new ATOM 0 HD2 TYR A 29 12.961 -3.941 -2.925 1.00 0.00 H new ATOM 0 HE1 TYR A 29 9.625 -1.210 -5.376 1.00 0.00 H new ATOM 0 HE2 TYR A 29 13.605 -1.730 -3.846 1.00 0.00 H new ATOM 0 HH TYR A 29 12.957 0.079 -4.979 1.00 0.00 H new ATOM 430 N ASP A 30 10.973 -8.476 -3.396 1.00 0.00 N ATOM 431 CA ASP A 30 10.541 -9.809 -2.886 1.00 0.00 C ATOM 432 C ASP A 30 10.220 -9.733 -1.385 1.00 0.00 C ATOM 433 O ASP A 30 9.834 -10.718 -0.785 1.00 0.00 O ATOM 434 CB ASP A 30 11.661 -10.825 -3.115 1.00 0.00 C ATOM 435 CG ASP A 30 11.821 -11.081 -4.614 1.00 0.00 C ATOM 436 OD1 ASP A 30 11.822 -10.118 -5.363 1.00 0.00 O ATOM 437 OD2 ASP A 30 11.937 -12.236 -4.988 1.00 0.00 O ATOM 0 H ASP A 30 11.981 -8.362 -3.504 1.00 0.00 H new ATOM 0 HA ASP A 30 9.643 -10.117 -3.422 1.00 0.00 H new ATOM 0 HB2 ASP A 30 12.596 -10.451 -2.698 1.00 0.00 H new ATOM 0 HB3 ASP A 30 11.432 -11.757 -2.599 1.00 0.00 H new ATOM 442 N ALA A 31 10.374 -8.579 -0.769 1.00 0.00 N ATOM 443 CA ALA A 31 10.072 -8.461 0.689 1.00 0.00 C ATOM 444 C ALA A 31 8.592 -8.766 0.929 1.00 0.00 C ATOM 445 O ALA A 31 7.874 -9.143 0.022 1.00 0.00 O ATOM 446 CB ALA A 31 10.382 -7.039 1.163 1.00 0.00 C ATOM 0 H ALA A 31 10.695 -7.720 -1.216 1.00 0.00 H new ATOM 0 HA ALA A 31 10.685 -9.170 1.245 1.00 0.00 H new ATOM 0 HB1 ALA A 31 10.161 -6.954 2.227 1.00 0.00 H new ATOM 0 HB2 ALA A 31 11.436 -6.820 0.992 1.00 0.00 H new ATOM 0 HB3 ALA A 31 9.770 -6.329 0.608 1.00 0.00 H new ATOM 452 N ASP A 32 8.134 -8.607 2.145 1.00 0.00 N ATOM 453 CA ASP A 32 6.703 -8.889 2.451 1.00 0.00 C ATOM 454 C ASP A 32 5.956 -7.573 2.679 1.00 0.00 C ATOM 455 O ASP A 32 5.984 -7.013 3.758 1.00 0.00 O ATOM 456 CB ASP A 32 6.607 -9.751 3.709 1.00 0.00 C ATOM 457 CG ASP A 32 6.987 -11.194 3.370 1.00 0.00 C ATOM 458 OD1 ASP A 32 6.157 -11.886 2.803 1.00 0.00 O ATOM 459 OD2 ASP A 32 8.100 -11.582 3.683 1.00 0.00 O ATOM 0 H ASP A 32 8.692 -8.293 2.939 1.00 0.00 H new ATOM 0 HA ASP A 32 6.255 -9.420 1.611 1.00 0.00 H new ATOM 0 HB2 ASP A 32 7.270 -9.361 4.481 1.00 0.00 H new ATOM 0 HB3 ASP A 32 5.594 -9.715 4.111 1.00 0.00 H new ATOM 464 N VAL A 33 5.285 -7.084 1.669 1.00 0.00 N ATOM 465 CA VAL A 33 4.525 -5.808 1.814 1.00 0.00 C ATOM 466 C VAL A 33 3.077 -6.129 2.191 1.00 0.00 C ATOM 467 O VAL A 33 2.355 -6.750 1.434 1.00 0.00 O ATOM 468 CB VAL A 33 4.551 -5.040 0.489 1.00 0.00 C ATOM 469 CG1 VAL A 33 3.943 -3.650 0.694 1.00 0.00 C ATOM 470 CG2 VAL A 33 5.997 -4.897 0.007 1.00 0.00 C ATOM 0 H VAL A 33 5.231 -7.516 0.746 1.00 0.00 H new ATOM 0 HA VAL A 33 4.981 -5.196 2.592 1.00 0.00 H new ATOM 0 HB VAL A 33 3.973 -5.585 -0.257 1.00 0.00 H new ATOM 0 HG11 VAL A 33 3.961 -3.102 -0.248 1.00 0.00 H new ATOM 0 HG12 VAL A 33 2.913 -3.750 1.036 1.00 0.00 H new ATOM 0 HG13 VAL A 33 4.522 -3.106 1.441 1.00 0.00 H new ATOM 0 HG21 VAL A 33 6.014 -4.350 -0.936 1.00 0.00 H new ATOM 0 HG22 VAL A 33 6.577 -4.353 0.752 1.00 0.00 H new ATOM 0 HG23 VAL A 33 6.431 -5.886 -0.139 1.00 0.00 H new ATOM 480 N ASN A 34 2.651 -5.718 3.359 1.00 0.00 N ATOM 481 CA ASN A 34 1.252 -6.004 3.793 1.00 0.00 C ATOM 482 C ASN A 34 0.536 -4.694 4.125 1.00 0.00 C ATOM 483 O ASN A 34 1.162 -3.694 4.425 1.00 0.00 O ATOM 484 CB ASN A 34 1.273 -6.898 5.035 1.00 0.00 C ATOM 485 CG ASN A 34 2.131 -8.136 4.764 1.00 0.00 C ATOM 486 OD1 ASN A 34 1.965 -8.795 3.756 1.00 0.00 O ATOM 487 ND2 ASN A 34 3.047 -8.482 5.626 1.00 0.00 N ATOM 0 H ASN A 34 3.214 -5.196 4.031 1.00 0.00 H new ATOM 0 HA ASN A 34 0.724 -6.512 2.986 1.00 0.00 H new ATOM 0 HB2 ASN A 34 1.672 -6.346 5.886 1.00 0.00 H new ATOM 0 HB3 ASN A 34 0.258 -7.197 5.297 1.00 0.00 H new ATOM 0 HD21 ASN A 34 3.624 -9.305 5.454 1.00 0.00 H new ATOM 0 HD22 ASN A 34 3.186 -7.929 6.472 1.00 0.00 H new ATOM 494 N LEU A 35 -0.771 -4.697 4.078 1.00 0.00 N ATOM 495 CA LEU A 35 -1.544 -3.460 4.392 1.00 0.00 C ATOM 496 C LEU A 35 -2.467 -3.733 5.581 1.00 0.00 C ATOM 497 O LEU A 35 -3.217 -4.692 5.587 1.00 0.00 O ATOM 498 CB LEU A 35 -2.380 -3.058 3.176 1.00 0.00 C ATOM 499 CG LEU A 35 -2.754 -1.579 3.279 1.00 0.00 C ATOM 500 CD1 LEU A 35 -1.715 -0.735 2.541 1.00 0.00 C ATOM 501 CD2 LEU A 35 -4.131 -1.357 2.647 1.00 0.00 C ATOM 0 H LEU A 35 -1.339 -5.509 3.834 1.00 0.00 H new ATOM 0 HA LEU A 35 -0.857 -2.651 4.640 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -1.818 -3.239 2.260 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -3.281 -3.669 3.123 1.00 0.00 H new ATOM 0 HG LEU A 35 -2.781 -1.285 4.328 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -1.983 0.319 2.615 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -0.734 -0.892 2.989 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -1.686 -1.029 1.492 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -4.399 -0.303 2.720 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -4.102 -1.653 1.598 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -4.874 -1.957 3.173 1.00 0.00 H new ATOM 513 N GLU A 36 -2.412 -2.901 6.589 1.00 0.00 N ATOM 514 CA GLU A 36 -3.280 -3.108 7.787 1.00 0.00 C ATOM 515 C GLU A 36 -4.339 -2.005 7.857 1.00 0.00 C ATOM 516 O GLU A 36 -4.021 -0.833 7.925 1.00 0.00 O ATOM 517 CB GLU A 36 -2.417 -3.067 9.051 1.00 0.00 C ATOM 518 CG GLU A 36 -3.263 -3.468 10.260 1.00 0.00 C ATOM 519 CD GLU A 36 -2.417 -3.364 11.531 1.00 0.00 C ATOM 520 OE1 GLU A 36 -1.829 -2.316 11.743 1.00 0.00 O ATOM 521 OE2 GLU A 36 -2.372 -4.334 12.271 1.00 0.00 O ATOM 0 H GLU A 36 -1.802 -2.085 6.634 1.00 0.00 H new ATOM 0 HA GLU A 36 -3.775 -4.076 7.711 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -1.569 -3.744 8.947 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -2.011 -2.066 9.194 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -4.136 -2.820 10.337 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -3.632 -4.486 10.138 1.00 0.00 H new ATOM 528 N TYR A 37 -5.594 -2.376 7.843 1.00 0.00 N ATOM 529 CA TYR A 37 -6.683 -1.357 7.912 1.00 0.00 C ATOM 530 C TYR A 37 -7.880 -1.932 8.674 1.00 0.00 C ATOM 531 O TYR A 37 -8.227 -3.087 8.521 1.00 0.00 O ATOM 532 CB TYR A 37 -7.118 -0.978 6.495 1.00 0.00 C ATOM 533 CG TYR A 37 -7.923 0.301 6.542 1.00 0.00 C ATOM 534 CD1 TYR A 37 -7.288 1.517 6.820 1.00 0.00 C ATOM 535 CD2 TYR A 37 -9.303 0.269 6.307 1.00 0.00 C ATOM 536 CE1 TYR A 37 -8.033 2.701 6.864 1.00 0.00 C ATOM 537 CE2 TYR A 37 -10.048 1.454 6.351 1.00 0.00 C ATOM 538 CZ TYR A 37 -9.413 2.670 6.630 1.00 0.00 C ATOM 539 OH TYR A 37 -10.147 3.838 6.673 1.00 0.00 O ATOM 0 H TYR A 37 -5.912 -3.344 7.787 1.00 0.00 H new ATOM 0 HA TYR A 37 -6.315 -0.472 8.431 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -6.244 -0.847 5.857 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -7.714 -1.780 6.059 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -6.223 1.542 7.000 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -9.793 -0.669 6.092 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -7.543 3.639 7.079 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -11.112 1.430 6.170 1.00 0.00 H new ATOM 0 HH TYR A 37 -11.089 3.640 6.487 1.00 0.00 H new ATOM 549 N ASN A 38 -8.514 -1.128 9.493 1.00 0.00 N ATOM 550 CA ASN A 38 -9.695 -1.610 10.274 1.00 0.00 C ATOM 551 C ASN A 38 -9.272 -2.752 11.200 1.00 0.00 C ATOM 552 O ASN A 38 -10.009 -3.696 11.413 1.00 0.00 O ATOM 553 CB ASN A 38 -10.781 -2.108 9.314 1.00 0.00 C ATOM 554 CG ASN A 38 -12.127 -2.143 10.040 1.00 0.00 C ATOM 555 OD1 ASN A 38 -12.355 -2.993 10.879 1.00 0.00 O ATOM 556 ND2 ASN A 38 -13.034 -1.251 9.751 1.00 0.00 N ATOM 0 H ASN A 38 -8.262 -0.153 9.654 1.00 0.00 H new ATOM 0 HA ASN A 38 -10.088 -0.787 10.871 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -10.841 -1.453 8.445 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -10.528 -3.102 8.946 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -13.935 -1.266 10.229 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -12.842 -0.538 9.047 1.00 0.00 H new ATOM 563 N GLY A 39 -8.087 -2.670 11.755 1.00 0.00 N ATOM 564 CA GLY A 39 -7.604 -3.747 12.675 1.00 0.00 C ATOM 565 C GLY A 39 -7.583 -5.088 11.944 1.00 0.00 C ATOM 566 O GLY A 39 -7.741 -6.135 12.544 1.00 0.00 O ATOM 0 H GLY A 39 -7.432 -1.902 11.610 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -6.605 -3.506 13.038 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -8.254 -3.809 13.548 1.00 0.00 H new ATOM 570 N LYS A 40 -7.381 -5.061 10.654 1.00 0.00 N ATOM 571 CA LYS A 40 -7.336 -6.327 9.874 1.00 0.00 C ATOM 572 C LYS A 40 -6.031 -6.381 9.087 1.00 0.00 C ATOM 573 O LYS A 40 -5.542 -5.377 8.606 1.00 0.00 O ATOM 574 CB LYS A 40 -8.516 -6.387 8.905 1.00 0.00 C ATOM 575 CG LYS A 40 -9.804 -6.695 9.677 1.00 0.00 C ATOM 576 CD LYS A 40 -10.121 -8.191 9.576 1.00 0.00 C ATOM 577 CE LYS A 40 -10.994 -8.616 10.760 1.00 0.00 C ATOM 578 NZ LYS A 40 -10.154 -9.324 11.767 1.00 0.00 N ATOM 0 H LYS A 40 -7.245 -4.211 10.106 1.00 0.00 H new ATOM 0 HA LYS A 40 -7.394 -7.174 10.557 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -8.615 -5.438 8.378 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -8.341 -7.154 8.151 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -9.691 -6.407 10.722 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -10.630 -6.110 9.273 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -10.636 -8.401 8.639 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -9.197 -8.768 9.568 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -11.463 -7.742 11.212 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -11.798 -9.268 10.418 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -10.746 -9.613 12.572 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -9.726 -10.166 11.332 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -9.402 -8.688 12.101 1.00 0.00 H new ATOM 592 N THR A 41 -5.467 -7.546 8.957 1.00 0.00 N ATOM 593 CA THR A 41 -4.187 -7.684 8.204 1.00 0.00 C ATOM 594 C THR A 41 -4.442 -8.436 6.896 1.00 0.00 C ATOM 595 O THR A 41 -4.946 -9.543 6.896 1.00 0.00 O ATOM 596 CB THR A 41 -3.178 -8.462 9.053 1.00 0.00 C ATOM 597 OG1 THR A 41 -3.102 -7.879 10.346 1.00 0.00 O ATOM 598 CG2 THR A 41 -1.802 -8.415 8.388 1.00 0.00 C ATOM 0 H THR A 41 -5.838 -8.415 9.341 1.00 0.00 H new ATOM 0 HA THR A 41 -3.788 -6.695 7.981 1.00 0.00 H new ATOM 0 HB THR A 41 -3.500 -9.500 9.140 1.00 0.00 H new ATOM 0 HG1 THR A 41 -2.458 -8.377 10.892 1.00 0.00 H new ATOM 0 HG21 THR A 41 -1.086 -8.969 8.994 1.00 0.00 H new ATOM 0 HG22 THR A 41 -1.862 -8.863 7.396 1.00 0.00 H new ATOM 0 HG23 THR A 41 -1.476 -7.379 8.299 1.00 0.00 H new ATOM 606 N VAL A 42 -4.097 -7.840 5.782 1.00 0.00 N ATOM 607 CA VAL A 42 -4.314 -8.513 4.467 1.00 0.00 C ATOM 608 C VAL A 42 -3.028 -8.450 3.642 1.00 0.00 C ATOM 609 O VAL A 42 -2.042 -7.872 4.059 1.00 0.00 O ATOM 610 CB VAL A 42 -5.441 -7.805 3.710 1.00 0.00 C ATOM 611 CG1 VAL A 42 -6.766 -8.027 4.443 1.00 0.00 C ATOM 612 CG2 VAL A 42 -5.146 -6.304 3.636 1.00 0.00 C ATOM 0 H VAL A 42 -3.673 -6.914 5.728 1.00 0.00 H new ATOM 0 HA VAL A 42 -4.587 -9.555 4.634 1.00 0.00 H new ATOM 0 HB VAL A 42 -5.510 -8.211 2.701 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -7.569 -7.523 3.904 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -6.979 -9.095 4.495 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -6.696 -7.621 5.452 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -5.949 -5.802 3.097 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -5.076 -5.897 4.645 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -4.203 -6.144 3.114 1.00 0.00 H new ATOM 622 N ASN A 43 -3.034 -9.042 2.474 1.00 0.00 N ATOM 623 CA ASN A 43 -1.814 -9.025 1.613 1.00 0.00 C ATOM 624 C ASN A 43 -1.855 -7.804 0.693 1.00 0.00 C ATOM 625 O ASN A 43 -2.876 -7.487 0.111 1.00 0.00 O ATOM 626 CB ASN A 43 -1.772 -10.299 0.767 1.00 0.00 C ATOM 627 CG ASN A 43 -0.441 -10.369 0.015 1.00 0.00 C ATOM 628 OD1 ASN A 43 -0.418 -10.550 -1.186 1.00 0.00 O ATOM 629 ND2 ASN A 43 0.675 -10.232 0.676 1.00 0.00 N ATOM 0 H ASN A 43 -3.834 -9.537 2.080 1.00 0.00 H new ATOM 0 HA ASN A 43 -0.925 -8.975 2.242 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -1.888 -11.175 1.404 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -2.602 -10.307 0.060 1.00 0.00 H new ATOM 0 HD21 ASN A 43 1.568 -10.277 0.184 1.00 0.00 H new ATOM 0 HD22 ASN A 43 0.655 -10.080 1.684 1.00 0.00 H new ATOM 636 N LEU A 44 -0.749 -7.117 0.559 1.00 0.00 N ATOM 637 CA LEU A 44 -0.708 -5.914 -0.322 1.00 0.00 C ATOM 638 C LEU A 44 -0.682 -6.338 -1.796 1.00 0.00 C ATOM 639 O LEU A 44 -0.973 -5.550 -2.676 1.00 0.00 O ATOM 640 CB LEU A 44 0.546 -5.094 -0.007 1.00 0.00 C ATOM 641 CG LEU A 44 0.515 -3.776 -0.794 1.00 0.00 C ATOM 642 CD1 LEU A 44 1.027 -2.629 0.089 1.00 0.00 C ATOM 643 CD2 LEU A 44 1.400 -3.905 -2.040 1.00 0.00 C ATOM 0 H LEU A 44 0.131 -7.340 1.025 1.00 0.00 H new ATOM 0 HA LEU A 44 -1.598 -5.311 -0.141 1.00 0.00 H new ATOM 0 HB2 LEU A 44 0.599 -4.889 1.062 1.00 0.00 H new ATOM 0 HB3 LEU A 44 1.439 -5.663 -0.267 1.00 0.00 H new ATOM 0 HG LEU A 44 -0.510 -3.561 -1.097 1.00 0.00 H new ATOM 0 HD11 LEU A 44 1.003 -1.697 -0.475 1.00 0.00 H new ATOM 0 HD12 LEU A 44 0.392 -2.537 0.970 1.00 0.00 H new ATOM 0 HD13 LEU A 44 2.051 -2.838 0.400 1.00 0.00 H new ATOM 0 HD21 LEU A 44 1.379 -2.970 -2.600 1.00 0.00 H new ATOM 0 HD22 LEU A 44 2.424 -4.124 -1.738 1.00 0.00 H new ATOM 0 HD23 LEU A 44 1.027 -4.713 -2.669 1.00 0.00 H new ATOM 655 N LYS A 45 -0.335 -7.574 -2.075 1.00 0.00 N ATOM 656 CA LYS A 45 -0.290 -8.042 -3.491 1.00 0.00 C ATOM 657 C LYS A 45 -1.598 -8.756 -3.845 1.00 0.00 C ATOM 658 O LYS A 45 -1.625 -9.633 -4.689 1.00 0.00 O ATOM 659 CB LYS A 45 0.882 -9.011 -3.667 1.00 0.00 C ATOM 660 CG LYS A 45 2.207 -8.255 -3.501 1.00 0.00 C ATOM 661 CD LYS A 45 3.185 -9.105 -2.682 1.00 0.00 C ATOM 662 CE LYS A 45 4.610 -8.882 -3.193 1.00 0.00 C ATOM 663 NZ LYS A 45 4.947 -7.432 -3.110 1.00 0.00 N ATOM 0 H LYS A 45 -0.082 -8.276 -1.380 1.00 0.00 H new ATOM 0 HA LYS A 45 -0.160 -7.184 -4.150 1.00 0.00 H new ATOM 0 HB2 LYS A 45 0.816 -9.814 -2.933 1.00 0.00 H new ATOM 0 HB3 LYS A 45 0.838 -9.475 -4.652 1.00 0.00 H new ATOM 0 HG2 LYS A 45 2.634 -8.031 -4.478 1.00 0.00 H new ATOM 0 HG3 LYS A 45 2.033 -7.301 -3.003 1.00 0.00 H new ATOM 0 HD2 LYS A 45 3.120 -8.838 -1.627 1.00 0.00 H new ATOM 0 HD3 LYS A 45 2.920 -10.159 -2.761 1.00 0.00 H new ATOM 0 HE2 LYS A 45 5.315 -9.465 -2.601 1.00 0.00 H new ATOM 0 HE3 LYS A 45 4.697 -9.228 -4.223 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 5.959 -7.299 -3.311 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 4.383 -6.904 -3.807 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 4.734 -7.080 -2.155 1.00 0.00 H new ATOM 677 N SER A 46 -2.681 -8.389 -3.206 1.00 0.00 N ATOM 678 CA SER A 46 -3.989 -9.042 -3.499 1.00 0.00 C ATOM 679 C SER A 46 -5.009 -7.983 -3.922 1.00 0.00 C ATOM 680 O SER A 46 -5.228 -7.008 -3.228 1.00 0.00 O ATOM 681 CB SER A 46 -4.492 -9.750 -2.245 1.00 0.00 C ATOM 682 OG SER A 46 -5.282 -10.870 -2.621 1.00 0.00 O ATOM 0 H SER A 46 -2.713 -7.662 -2.491 1.00 0.00 H new ATOM 0 HA SER A 46 -3.860 -9.765 -4.305 1.00 0.00 H new ATOM 0 HB2 SER A 46 -3.649 -10.074 -1.634 1.00 0.00 H new ATOM 0 HB3 SER A 46 -5.081 -9.063 -1.637 1.00 0.00 H new ATOM 0 HG SER A 46 -5.605 -11.327 -1.817 1.00 0.00 H new ATOM 688 N ILE A 47 -5.638 -8.176 -5.053 1.00 0.00 N ATOM 689 CA ILE A 47 -6.655 -7.191 -5.528 1.00 0.00 C ATOM 690 C ILE A 47 -8.000 -7.524 -4.883 1.00 0.00 C ATOM 691 O ILE A 47 -8.746 -6.647 -4.488 1.00 0.00 O ATOM 692 CB ILE A 47 -6.782 -7.276 -7.050 1.00 0.00 C ATOM 693 CG1 ILE A 47 -5.400 -7.103 -7.689 1.00 0.00 C ATOM 694 CG2 ILE A 47 -7.714 -6.169 -7.547 1.00 0.00 C ATOM 695 CD1 ILE A 47 -4.784 -8.479 -7.956 1.00 0.00 C ATOM 0 H ILE A 47 -5.490 -8.975 -5.669 1.00 0.00 H new ATOM 0 HA ILE A 47 -6.350 -6.182 -5.252 1.00 0.00 H new ATOM 0 HB ILE A 47 -7.191 -8.248 -7.326 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -5.486 -6.544 -8.621 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -4.753 -6.525 -7.030 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -7.805 -6.229 -8.632 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -8.698 -6.291 -7.093 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -7.305 -5.197 -7.271 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -3.801 -8.356 -8.411 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -4.684 -9.021 -7.016 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -5.428 -9.041 -8.632 1.00 0.00 H new ATOM 707 N MET A 48 -8.306 -8.790 -4.769 1.00 0.00 N ATOM 708 CA MET A 48 -9.596 -9.207 -4.144 1.00 0.00 C ATOM 709 C MET A 48 -9.478 -9.136 -2.616 1.00 0.00 C ATOM 710 O MET A 48 -10.471 -9.081 -1.915 1.00 0.00 O ATOM 711 CB MET A 48 -9.918 -10.644 -4.563 1.00 0.00 C ATOM 712 CG MET A 48 -11.346 -10.993 -4.143 1.00 0.00 C ATOM 713 SD MET A 48 -11.999 -12.279 -5.236 1.00 0.00 S ATOM 714 CE MET A 48 -13.418 -12.749 -4.216 1.00 0.00 C ATOM 0 H MET A 48 -7.713 -9.558 -5.084 1.00 0.00 H new ATOM 0 HA MET A 48 -10.392 -8.540 -4.475 1.00 0.00 H new ATOM 0 HB2 MET A 48 -9.809 -10.752 -5.642 1.00 0.00 H new ATOM 0 HB3 MET A 48 -9.213 -11.335 -4.101 1.00 0.00 H new ATOM 0 HG2 MET A 48 -11.358 -11.339 -3.109 1.00 0.00 H new ATOM 0 HG3 MET A 48 -11.977 -10.106 -4.190 1.00 0.00 H new ATOM 0 HE1 MET A 48 -13.974 -13.545 -4.711 1.00 0.00 H new ATOM 0 HE2 MET A 48 -13.068 -13.100 -3.245 1.00 0.00 H new ATOM 0 HE3 MET A 48 -14.068 -11.885 -4.077 1.00 0.00 H new ATOM 724 N GLY A 49 -8.273 -9.143 -2.093 1.00 0.00 N ATOM 725 CA GLY A 49 -8.090 -9.080 -0.613 1.00 0.00 C ATOM 726 C GLY A 49 -8.229 -7.634 -0.127 1.00 0.00 C ATOM 727 O GLY A 49 -8.567 -7.390 1.016 1.00 0.00 O ATOM 0 H GLY A 49 -7.408 -9.190 -2.632 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -8.830 -9.710 -0.120 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -7.109 -9.470 -0.343 1.00 0.00 H new ATOM 731 N VAL A 50 -7.962 -6.676 -0.980 1.00 0.00 N ATOM 732 CA VAL A 50 -8.070 -5.245 -0.562 1.00 0.00 C ATOM 733 C VAL A 50 -9.508 -4.753 -0.764 1.00 0.00 C ATOM 734 O VAL A 50 -10.010 -3.957 0.008 1.00 0.00 O ATOM 735 CB VAL A 50 -7.114 -4.393 -1.405 1.00 0.00 C ATOM 736 CG1 VAL A 50 -7.128 -2.948 -0.900 1.00 0.00 C ATOM 737 CG2 VAL A 50 -5.694 -4.953 -1.289 1.00 0.00 C ATOM 0 H VAL A 50 -7.674 -6.824 -1.947 1.00 0.00 H new ATOM 0 HA VAL A 50 -7.805 -5.156 0.492 1.00 0.00 H new ATOM 0 HB VAL A 50 -7.435 -4.417 -2.446 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -6.447 -2.346 -1.502 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -8.137 -2.544 -0.980 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -6.809 -2.924 0.142 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -5.014 -4.348 -1.888 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -5.378 -4.929 -0.246 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -5.678 -5.981 -1.650 1.00 0.00 H new ATOM 747 N VAL A 51 -10.168 -5.216 -1.795 1.00 0.00 N ATOM 748 CA VAL A 51 -11.571 -4.771 -2.052 1.00 0.00 C ATOM 749 C VAL A 51 -12.469 -5.199 -0.882 1.00 0.00 C ATOM 750 O VAL A 51 -13.456 -4.555 -0.581 1.00 0.00 O ATOM 751 CB VAL A 51 -12.070 -5.396 -3.367 1.00 0.00 C ATOM 752 CG1 VAL A 51 -12.071 -6.924 -3.256 1.00 0.00 C ATOM 753 CG2 VAL A 51 -13.490 -4.902 -3.673 1.00 0.00 C ATOM 0 H VAL A 51 -9.796 -5.883 -2.470 1.00 0.00 H new ATOM 0 HA VAL A 51 -11.604 -3.685 -2.140 1.00 0.00 H new ATOM 0 HB VAL A 51 -11.402 -5.097 -4.175 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -12.426 -7.357 -4.192 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -11.059 -7.275 -3.055 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -12.729 -7.229 -2.443 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -13.837 -5.348 -4.605 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -14.158 -5.190 -2.862 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -13.484 -3.816 -3.770 1.00 0.00 H new ATOM 763 N SER A 52 -12.130 -6.279 -0.223 1.00 0.00 N ATOM 764 CA SER A 52 -12.957 -6.752 0.928 1.00 0.00 C ATOM 765 C SER A 52 -12.995 -5.674 2.015 1.00 0.00 C ATOM 766 O SER A 52 -13.982 -5.513 2.707 1.00 0.00 O ATOM 767 CB SER A 52 -12.348 -8.033 1.502 1.00 0.00 C ATOM 768 OG SER A 52 -10.937 -7.886 1.582 1.00 0.00 O ATOM 0 H SER A 52 -11.314 -6.854 -0.433 1.00 0.00 H new ATOM 0 HA SER A 52 -13.971 -6.953 0.584 1.00 0.00 H new ATOM 0 HB2 SER A 52 -12.761 -8.235 2.490 1.00 0.00 H new ATOM 0 HB3 SER A 52 -12.601 -8.885 0.871 1.00 0.00 H new ATOM 0 HG SER A 52 -10.543 -8.704 1.950 1.00 0.00 H new ATOM 774 N LEU A 53 -11.925 -4.936 2.166 1.00 0.00 N ATOM 775 CA LEU A 53 -11.886 -3.863 3.202 1.00 0.00 C ATOM 776 C LEU A 53 -12.758 -2.687 2.756 1.00 0.00 C ATOM 777 O LEU A 53 -13.589 -2.202 3.502 1.00 0.00 O ATOM 778 CB LEU A 53 -10.445 -3.385 3.384 1.00 0.00 C ATOM 779 CG LEU A 53 -9.737 -4.279 4.403 1.00 0.00 C ATOM 780 CD1 LEU A 53 -8.232 -4.269 4.131 1.00 0.00 C ATOM 781 CD2 LEU A 53 -10.005 -3.752 5.813 1.00 0.00 C ATOM 0 H LEU A 53 -11.073 -5.032 1.613 1.00 0.00 H new ATOM 0 HA LEU A 53 -12.263 -4.257 4.146 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -9.918 -3.414 2.430 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -10.434 -2.349 3.723 1.00 0.00 H new ATOM 0 HG LEU A 53 -10.114 -5.298 4.318 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -7.727 -4.906 4.857 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -8.042 -4.643 3.125 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -7.854 -3.250 4.217 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -9.501 -4.388 6.541 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -9.627 -2.733 5.898 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -11.078 -3.759 6.006 1.00 0.00 H new ATOM 793 N GLY A 54 -12.576 -2.228 1.544 1.00 0.00 N ATOM 794 CA GLY A 54 -13.389 -1.084 1.040 1.00 0.00 C ATOM 795 C GLY A 54 -12.869 0.221 1.647 1.00 0.00 C ATOM 796 O GLY A 54 -13.608 0.967 2.261 1.00 0.00 O ATOM 0 H GLY A 54 -11.896 -2.599 0.880 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -13.335 -1.038 -0.048 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -14.437 -1.226 1.302 1.00 0.00 H new ATOM 800 N ILE A 55 -11.600 0.498 1.479 1.00 0.00 N ATOM 801 CA ILE A 55 -11.019 1.747 2.040 1.00 0.00 C ATOM 802 C ILE A 55 -11.470 2.941 1.201 1.00 0.00 C ATOM 803 O ILE A 55 -11.571 2.863 -0.010 1.00 0.00 O ATOM 804 CB ILE A 55 -9.491 1.656 2.018 1.00 0.00 C ATOM 805 CG1 ILE A 55 -9.051 0.376 2.732 1.00 0.00 C ATOM 806 CG2 ILE A 55 -8.898 2.870 2.734 1.00 0.00 C ATOM 807 CD1 ILE A 55 -7.534 0.214 2.614 1.00 0.00 C ATOM 0 H ILE A 55 -10.941 -0.094 0.973 1.00 0.00 H new ATOM 0 HA ILE A 55 -11.360 1.875 3.067 1.00 0.00 H new ATOM 0 HB ILE A 55 -9.140 1.638 0.986 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -9.341 0.416 3.782 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -9.554 -0.487 2.295 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -7.810 2.806 2.719 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -9.215 3.782 2.228 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -9.246 2.889 3.767 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -7.225 -0.699 3.124 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -7.255 0.154 1.562 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -7.040 1.071 3.072 1.00 0.00 H new ATOM 819 N ALA A 56 -11.744 4.041 1.843 1.00 0.00 N ATOM 820 CA ALA A 56 -12.195 5.259 1.109 1.00 0.00 C ATOM 821 C ALA A 56 -11.239 6.418 1.397 1.00 0.00 C ATOM 822 O ALA A 56 -10.227 6.253 2.052 1.00 0.00 O ATOM 823 CB ALA A 56 -13.605 5.637 1.570 1.00 0.00 C ATOM 0 H ALA A 56 -11.675 4.151 2.855 1.00 0.00 H new ATOM 0 HA ALA A 56 -12.202 5.054 0.039 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -13.936 6.527 1.035 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -14.288 4.813 1.363 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -13.595 5.840 2.641 1.00 0.00 H new ATOM 829 N LYS A 57 -11.553 7.592 0.905 1.00 0.00 N ATOM 830 CA LYS A 57 -10.668 8.777 1.136 1.00 0.00 C ATOM 831 C LYS A 57 -10.463 9.003 2.644 1.00 0.00 C ATOM 832 O LYS A 57 -11.274 8.597 3.456 1.00 0.00 O ATOM 833 CB LYS A 57 -11.286 10.026 0.464 1.00 0.00 C ATOM 834 CG LYS A 57 -12.466 10.592 1.276 1.00 0.00 C ATOM 835 CD LYS A 57 -13.639 9.609 1.258 1.00 0.00 C ATOM 836 CE LYS A 57 -14.873 10.269 1.877 1.00 0.00 C ATOM 837 NZ LYS A 57 -16.092 9.839 1.135 1.00 0.00 N ATOM 0 H LYS A 57 -12.388 7.781 0.351 1.00 0.00 H new ATOM 0 HA LYS A 57 -9.691 8.592 0.690 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -10.521 10.794 0.353 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -11.626 9.767 -0.539 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -12.154 10.778 2.304 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -12.778 11.550 0.859 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -13.853 9.302 0.234 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -13.379 8.708 1.813 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -14.958 9.993 2.928 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -14.775 11.354 1.840 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -16.931 10.288 1.556 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -16.010 10.124 0.138 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -16.187 8.805 1.193 1.00 0.00 H new ATOM 851 N GLY A 58 -9.387 9.651 3.014 1.00 0.00 N ATOM 852 CA GLY A 58 -9.120 9.912 4.460 1.00 0.00 C ATOM 853 C GLY A 58 -9.002 8.582 5.210 1.00 0.00 C ATOM 854 O GLY A 58 -9.670 8.359 6.201 1.00 0.00 O ATOM 0 H GLY A 58 -8.680 10.012 2.374 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -8.201 10.487 4.572 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -9.925 10.511 4.886 1.00 0.00 H new ATOM 858 N ALA A 59 -8.158 7.700 4.737 1.00 0.00 N ATOM 859 CA ALA A 59 -7.996 6.380 5.415 1.00 0.00 C ATOM 860 C ALA A 59 -6.537 6.187 5.833 1.00 0.00 C ATOM 861 O ALA A 59 -5.634 6.270 5.022 1.00 0.00 O ATOM 862 CB ALA A 59 -8.399 5.262 4.454 1.00 0.00 C ATOM 0 H ALA A 59 -7.575 7.838 3.911 1.00 0.00 H new ATOM 0 HA ALA A 59 -8.632 6.351 6.300 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -8.281 4.298 4.948 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -9.440 5.394 4.159 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -7.764 5.296 3.569 1.00 0.00 H new ATOM 868 N GLU A 60 -6.304 5.926 7.094 1.00 0.00 N ATOM 869 CA GLU A 60 -4.907 5.720 7.578 1.00 0.00 C ATOM 870 C GLU A 60 -4.552 4.236 7.482 1.00 0.00 C ATOM 871 O GLU A 60 -5.150 3.403 8.138 1.00 0.00 O ATOM 872 CB GLU A 60 -4.798 6.177 9.033 1.00 0.00 C ATOM 873 CG GLU A 60 -5.224 7.642 9.141 1.00 0.00 C ATOM 874 CD GLU A 60 -4.421 8.327 10.248 1.00 0.00 C ATOM 875 OE1 GLU A 60 -3.207 8.371 10.132 1.00 0.00 O ATOM 876 OE2 GLU A 60 -5.033 8.796 11.193 1.00 0.00 O ATOM 0 H GLU A 60 -7.025 5.847 7.811 1.00 0.00 H new ATOM 0 HA GLU A 60 -4.219 6.301 6.964 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -5.429 5.556 9.669 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -3.774 6.058 9.387 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -5.060 8.150 8.191 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -6.290 7.707 9.358 1.00 0.00 H new ATOM 883 N ILE A 61 -3.584 3.900 6.668 1.00 0.00 N ATOM 884 CA ILE A 61 -3.184 2.471 6.521 1.00 0.00 C ATOM 885 C ILE A 61 -1.758 2.286 7.046 1.00 0.00 C ATOM 886 O ILE A 61 -0.977 3.218 7.080 1.00 0.00 O ATOM 887 CB ILE A 61 -3.245 2.076 5.043 1.00 0.00 C ATOM 888 CG1 ILE A 61 -2.398 3.049 4.219 1.00 0.00 C ATOM 889 CG2 ILE A 61 -4.696 2.130 4.562 1.00 0.00 C ATOM 890 CD1 ILE A 61 -2.334 2.567 2.768 1.00 0.00 C ATOM 0 H ILE A 61 -3.052 4.558 6.097 1.00 0.00 H new ATOM 0 HA ILE A 61 -3.864 1.839 7.092 1.00 0.00 H new ATOM 0 HB ILE A 61 -2.858 1.064 4.920 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -2.829 4.049 4.262 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -1.393 3.116 4.636 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -4.741 1.849 3.510 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -5.300 1.438 5.149 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -5.082 3.142 4.684 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -1.731 3.260 2.181 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -1.884 1.575 2.734 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -3.342 2.523 2.355 1.00 0.00 H new ATOM 902 N THR A 62 -1.420 1.091 7.456 1.00 0.00 N ATOM 903 CA THR A 62 -0.046 0.837 7.983 1.00 0.00 C ATOM 904 C THR A 62 0.629 -0.254 7.151 1.00 0.00 C ATOM 905 O THR A 62 0.229 -1.403 7.176 1.00 0.00 O ATOM 906 CB THR A 62 -0.137 0.384 9.442 1.00 0.00 C ATOM 907 OG1 THR A 62 -0.976 1.274 10.162 1.00 0.00 O ATOM 908 CG2 THR A 62 1.261 0.380 10.063 1.00 0.00 C ATOM 0 H THR A 62 -2.037 0.279 7.449 1.00 0.00 H new ATOM 0 HA THR A 62 0.541 1.753 7.922 1.00 0.00 H new ATOM 0 HB THR A 62 -0.555 -0.622 9.486 1.00 0.00 H new ATOM 0 HG1 THR A 62 -1.036 0.983 11.096 1.00 0.00 H new ATOM 0 HG21 THR A 62 1.197 0.057 11.102 1.00 0.00 H new ATOM 0 HG22 THR A 62 1.903 -0.305 9.509 1.00 0.00 H new ATOM 0 HG23 THR A 62 1.681 1.385 10.020 1.00 0.00 H new ATOM 916 N ILE A 63 1.652 0.099 6.416 1.00 0.00 N ATOM 917 CA ILE A 63 2.364 -0.909 5.577 1.00 0.00 C ATOM 918 C ILE A 63 3.534 -1.492 6.377 1.00 0.00 C ATOM 919 O ILE A 63 4.099 -0.839 7.230 1.00 0.00 O ATOM 920 CB ILE A 63 2.883 -0.225 4.304 1.00 0.00 C ATOM 921 CG1 ILE A 63 1.692 0.306 3.498 1.00 0.00 C ATOM 922 CG2 ILE A 63 3.666 -1.226 3.448 1.00 0.00 C ATOM 923 CD1 ILE A 63 2.181 1.316 2.457 1.00 0.00 C ATOM 0 H ILE A 63 2.026 1.046 6.361 1.00 0.00 H new ATOM 0 HA ILE A 63 1.685 -1.715 5.299 1.00 0.00 H new ATOM 0 HB ILE A 63 3.543 0.597 4.583 1.00 0.00 H new ATOM 0 HG12 ILE A 63 1.178 -0.519 3.005 1.00 0.00 H new ATOM 0 HG13 ILE A 63 0.971 0.778 4.165 1.00 0.00 H new ATOM 0 HG21 ILE A 63 4.029 -0.729 2.548 1.00 0.00 H new ATOM 0 HG22 ILE A 63 4.513 -1.608 4.018 1.00 0.00 H new ATOM 0 HG23 ILE A 63 3.014 -2.053 3.168 1.00 0.00 H new ATOM 0 HD11 ILE A 63 1.331 1.691 1.886 1.00 0.00 H new ATOM 0 HD12 ILE A 63 2.675 2.147 2.960 1.00 0.00 H new ATOM 0 HD13 ILE A 63 2.886 0.830 1.782 1.00 0.00 H new ATOM 935 N SER A 64 3.897 -2.718 6.097 1.00 0.00 N ATOM 936 CA SER A 64 5.031 -3.357 6.830 1.00 0.00 C ATOM 937 C SER A 64 5.883 -4.161 5.846 1.00 0.00 C ATOM 938 O SER A 64 5.382 -5.008 5.129 1.00 0.00 O ATOM 939 CB SER A 64 4.482 -4.289 7.910 1.00 0.00 C ATOM 940 OG SER A 64 3.428 -5.070 7.364 1.00 0.00 O ATOM 0 H SER A 64 3.455 -3.306 5.390 1.00 0.00 H new ATOM 0 HA SER A 64 5.643 -2.585 7.296 1.00 0.00 H new ATOM 0 HB2 SER A 64 5.274 -4.937 8.284 1.00 0.00 H new ATOM 0 HB3 SER A 64 4.118 -3.708 8.758 1.00 0.00 H new ATOM 0 HG SER A 64 3.659 -5.338 6.450 1.00 0.00 H new ATOM 946 N ALA A 65 7.165 -3.902 5.808 1.00 0.00 N ATOM 947 CA ALA A 65 8.058 -4.645 4.871 1.00 0.00 C ATOM 948 C ALA A 65 8.961 -5.589 5.666 1.00 0.00 C ATOM 949 O ALA A 65 9.721 -5.165 6.516 1.00 0.00 O ATOM 950 CB ALA A 65 8.921 -3.650 4.092 1.00 0.00 C ATOM 0 H ALA A 65 7.633 -3.205 6.388 1.00 0.00 H new ATOM 0 HA ALA A 65 7.451 -5.224 4.174 1.00 0.00 H new ATOM 0 HB1 ALA A 65 9.573 -4.192 3.408 1.00 0.00 H new ATOM 0 HB2 ALA A 65 8.278 -2.977 3.524 1.00 0.00 H new ATOM 0 HB3 ALA A 65 9.527 -3.071 4.789 1.00 0.00 H new ATOM 956 N SER A 66 8.882 -6.868 5.394 1.00 0.00 N ATOM 957 CA SER A 66 9.731 -7.850 6.127 1.00 0.00 C ATOM 958 C SER A 66 10.293 -8.875 5.140 1.00 0.00 C ATOM 959 O SER A 66 9.593 -9.762 4.689 1.00 0.00 O ATOM 960 CB SER A 66 8.885 -8.566 7.179 1.00 0.00 C ATOM 961 OG SER A 66 7.911 -7.665 7.689 1.00 0.00 O ATOM 0 H SER A 66 8.263 -7.273 4.692 1.00 0.00 H new ATOM 0 HA SER A 66 10.554 -7.328 6.615 1.00 0.00 H new ATOM 0 HB2 SER A 66 8.398 -9.437 6.740 1.00 0.00 H new ATOM 0 HB3 SER A 66 9.520 -8.930 7.987 1.00 0.00 H new ATOM 0 HG SER A 66 7.365 -8.121 8.363 1.00 0.00 H new ATOM 967 N GLY A 67 11.553 -8.757 4.802 1.00 0.00 N ATOM 968 CA GLY A 67 12.170 -9.721 3.844 1.00 0.00 C ATOM 969 C GLY A 67 13.644 -9.370 3.639 1.00 0.00 C ATOM 970 O GLY A 67 14.352 -9.057 4.578 1.00 0.00 O ATOM 0 H GLY A 67 12.181 -8.032 5.150 1.00 0.00 H new ATOM 0 HA2 GLY A 67 12.078 -10.738 4.226 1.00 0.00 H new ATOM 0 HA3 GLY A 67 11.642 -9.690 2.891 1.00 0.00 H new ATOM 974 N ALA A 68 14.111 -9.422 2.416 1.00 0.00 N ATOM 975 CA ALA A 68 15.540 -9.094 2.139 1.00 0.00 C ATOM 976 C ALA A 68 15.662 -7.619 1.751 1.00 0.00 C ATOM 977 O ALA A 68 16.411 -6.872 2.353 1.00 0.00 O ATOM 978 CB ALA A 68 16.050 -9.967 0.990 1.00 0.00 C ATOM 0 H ALA A 68 13.561 -9.679 1.596 1.00 0.00 H new ATOM 0 HA ALA A 68 16.135 -9.284 3.033 1.00 0.00 H new ATOM 0 HB1 ALA A 68 17.094 -9.728 0.787 1.00 0.00 H new ATOM 0 HB2 ALA A 68 15.966 -11.018 1.266 1.00 0.00 H new ATOM 0 HB3 ALA A 68 15.454 -9.778 0.097 1.00 0.00 H new ATOM 984 N ASP A 69 14.929 -7.197 0.753 1.00 0.00 N ATOM 985 CA ASP A 69 14.996 -5.767 0.322 1.00 0.00 C ATOM 986 C ASP A 69 13.829 -4.994 0.939 1.00 0.00 C ATOM 987 O ASP A 69 13.239 -4.137 0.308 1.00 0.00 O ATOM 988 CB ASP A 69 14.922 -5.681 -1.208 1.00 0.00 C ATOM 989 CG ASP A 69 13.723 -6.483 -1.723 1.00 0.00 C ATOM 990 OD1 ASP A 69 12.724 -6.539 -1.025 1.00 0.00 O ATOM 991 OD2 ASP A 69 13.825 -7.028 -2.810 1.00 0.00 O ATOM 0 H ASP A 69 14.286 -7.781 0.217 1.00 0.00 H new ATOM 0 HA ASP A 69 15.937 -5.332 0.658 1.00 0.00 H new ATOM 0 HB2 ASP A 69 14.833 -4.640 -1.518 1.00 0.00 H new ATOM 0 HB3 ASP A 69 15.843 -6.066 -1.647 1.00 0.00 H new ATOM 996 N GLU A 70 13.493 -5.292 2.168 1.00 0.00 N ATOM 997 CA GLU A 70 12.365 -4.582 2.838 1.00 0.00 C ATOM 998 C GLU A 70 12.699 -3.093 2.977 1.00 0.00 C ATOM 999 O GLU A 70 11.817 -2.258 3.026 1.00 0.00 O ATOM 1000 CB GLU A 70 12.132 -5.190 4.224 1.00 0.00 C ATOM 1001 CG GLU A 70 13.430 -5.139 5.040 1.00 0.00 C ATOM 1002 CD GLU A 70 13.387 -3.954 6.006 1.00 0.00 C ATOM 1003 OE1 GLU A 70 12.628 -4.020 6.959 1.00 0.00 O ATOM 1004 OE2 GLU A 70 14.114 -3.002 5.778 1.00 0.00 O ATOM 0 H GLU A 70 13.955 -6.001 2.738 1.00 0.00 H new ATOM 0 HA GLU A 70 11.462 -4.690 2.237 1.00 0.00 H new ATOM 0 HB2 GLU A 70 11.344 -4.644 4.743 1.00 0.00 H new ATOM 0 HB3 GLU A 70 11.794 -6.222 4.126 1.00 0.00 H new ATOM 0 HG2 GLU A 70 13.558 -6.068 5.595 1.00 0.00 H new ATOM 0 HG3 GLU A 70 14.287 -5.045 4.373 1.00 0.00 H new ATOM 1011 N ASN A 71 13.963 -2.756 3.042 1.00 0.00 N ATOM 1012 CA ASN A 71 14.358 -1.322 3.180 1.00 0.00 C ATOM 1013 C ASN A 71 14.044 -0.571 1.886 1.00 0.00 C ATOM 1014 O ASN A 71 13.540 0.536 1.909 1.00 0.00 O ATOM 1015 CB ASN A 71 15.858 -1.232 3.468 1.00 0.00 C ATOM 1016 CG ASN A 71 16.090 -1.244 4.980 1.00 0.00 C ATOM 1017 OD1 ASN A 71 16.479 -2.250 5.539 1.00 0.00 O ATOM 1018 ND2 ASN A 71 15.865 -0.159 5.667 1.00 0.00 N ATOM 0 H ASN A 71 14.740 -3.415 3.005 1.00 0.00 H new ATOM 0 HA ASN A 71 13.799 -0.873 4.001 1.00 0.00 H new ATOM 0 HB2 ASN A 71 16.379 -2.069 3.003 1.00 0.00 H new ATOM 0 HB3 ASN A 71 16.268 -0.320 3.034 1.00 0.00 H new ATOM 0 HD21 ASN A 71 16.016 -0.154 6.676 1.00 0.00 H new ATOM 0 HD22 ASN A 71 15.538 0.685 5.196 1.00 0.00 H new ATOM 1025 N ASP A 72 14.346 -1.161 0.760 1.00 0.00 N ATOM 1026 CA ASP A 72 14.072 -0.483 -0.543 1.00 0.00 C ATOM 1027 C ASP A 72 12.584 -0.590 -0.894 1.00 0.00 C ATOM 1028 O ASP A 72 12.084 0.156 -1.716 1.00 0.00 O ATOM 1029 CB ASP A 72 14.902 -1.148 -1.643 1.00 0.00 C ATOM 1030 CG ASP A 72 16.389 -1.033 -1.301 1.00 0.00 C ATOM 1031 OD1 ASP A 72 16.757 -1.424 -0.206 1.00 0.00 O ATOM 1032 OD2 ASP A 72 17.134 -0.554 -2.139 1.00 0.00 O ATOM 0 H ASP A 72 14.771 -2.085 0.685 1.00 0.00 H new ATOM 0 HA ASP A 72 14.341 0.570 -0.460 1.00 0.00 H new ATOM 0 HB2 ASP A 72 14.621 -2.196 -1.742 1.00 0.00 H new ATOM 0 HB3 ASP A 72 14.701 -0.672 -2.603 1.00 0.00 H new ATOM 1037 N ALA A 73 11.873 -1.513 -0.292 1.00 0.00 N ATOM 1038 CA ALA A 73 10.422 -1.669 -0.605 1.00 0.00 C ATOM 1039 C ALA A 73 9.596 -0.629 0.159 1.00 0.00 C ATOM 1040 O ALA A 73 8.606 -0.130 -0.344 1.00 0.00 O ATOM 1041 CB ALA A 73 9.964 -3.074 -0.207 1.00 0.00 C ATOM 0 H ALA A 73 12.238 -2.165 0.403 1.00 0.00 H new ATOM 0 HA ALA A 73 10.274 -1.520 -1.675 1.00 0.00 H new ATOM 0 HB1 ALA A 73 8.904 -3.189 -0.435 1.00 0.00 H new ATOM 0 HB2 ALA A 73 10.538 -3.815 -0.764 1.00 0.00 H new ATOM 0 HB3 ALA A 73 10.123 -3.220 0.861 1.00 0.00 H new ATOM 1047 N LEU A 74 9.980 -0.308 1.373 1.00 0.00 N ATOM 1048 CA LEU A 74 9.194 0.691 2.162 1.00 0.00 C ATOM 1049 C LEU A 74 9.446 2.108 1.634 1.00 0.00 C ATOM 1050 O LEU A 74 8.531 2.906 1.538 1.00 0.00 O ATOM 1051 CB LEU A 74 9.573 0.612 3.651 1.00 0.00 C ATOM 1052 CG LEU A 74 11.063 0.907 3.841 1.00 0.00 C ATOM 1053 CD1 LEU A 74 11.268 2.404 4.104 1.00 0.00 C ATOM 1054 CD2 LEU A 74 11.588 0.106 5.036 1.00 0.00 C ATOM 0 H LEU A 74 10.797 -0.692 1.847 1.00 0.00 H new ATOM 0 HA LEU A 74 8.135 0.459 2.053 1.00 0.00 H new ATOM 0 HB2 LEU A 74 8.979 1.326 4.222 1.00 0.00 H new ATOM 0 HB3 LEU A 74 9.340 -0.379 4.040 1.00 0.00 H new ATOM 0 HG LEU A 74 11.605 0.623 2.939 1.00 0.00 H new ATOM 0 HD11 LEU A 74 12.330 2.608 4.238 1.00 0.00 H new ATOM 0 HD12 LEU A 74 10.893 2.977 3.256 1.00 0.00 H new ATOM 0 HD13 LEU A 74 10.726 2.693 5.005 1.00 0.00 H new ATOM 0 HD21 LEU A 74 12.649 0.313 5.175 1.00 0.00 H new ATOM 0 HD22 LEU A 74 11.042 0.393 5.935 1.00 0.00 H new ATOM 0 HD23 LEU A 74 11.447 -0.959 4.850 1.00 0.00 H new ATOM 1066 N ASN A 75 10.672 2.435 1.297 1.00 0.00 N ATOM 1067 CA ASN A 75 10.961 3.812 0.785 1.00 0.00 C ATOM 1068 C ASN A 75 10.558 3.922 -0.688 1.00 0.00 C ATOM 1069 O ASN A 75 10.242 4.994 -1.170 1.00 0.00 O ATOM 1070 CB ASN A 75 12.452 4.141 0.940 1.00 0.00 C ATOM 1071 CG ASN A 75 13.321 2.994 0.420 1.00 0.00 C ATOM 1072 OD1 ASN A 75 12.956 2.310 -0.514 1.00 0.00 O ATOM 1073 ND2 ASN A 75 14.471 2.757 0.992 1.00 0.00 N ATOM 0 H ASN A 75 11.478 1.813 1.354 1.00 0.00 H new ATOM 0 HA ASN A 75 10.381 4.526 1.370 1.00 0.00 H new ATOM 0 HB2 ASN A 75 12.685 5.055 0.395 1.00 0.00 H new ATOM 0 HB3 ASN A 75 12.680 4.329 1.989 1.00 0.00 H new ATOM 0 HD21 ASN A 75 15.062 1.997 0.654 1.00 0.00 H new ATOM 0 HD22 ASN A 75 14.778 3.331 1.777 1.00 0.00 H new ATOM 1080 N ALA A 76 10.560 2.827 -1.402 1.00 0.00 N ATOM 1081 CA ALA A 76 10.170 2.868 -2.844 1.00 0.00 C ATOM 1082 C ALA A 76 8.650 3.023 -2.961 1.00 0.00 C ATOM 1083 O ALA A 76 8.147 3.575 -3.922 1.00 0.00 O ATOM 1084 CB ALA A 76 10.601 1.570 -3.531 1.00 0.00 C ATOM 0 H ALA A 76 10.815 1.905 -1.049 1.00 0.00 H new ATOM 0 HA ALA A 76 10.661 3.714 -3.325 1.00 0.00 H new ATOM 0 HB1 ALA A 76 10.315 1.603 -4.582 1.00 0.00 H new ATOM 0 HB2 ALA A 76 11.682 1.458 -3.452 1.00 0.00 H new ATOM 0 HB3 ALA A 76 10.113 0.723 -3.048 1.00 0.00 H new ATOM 1090 N LEU A 77 7.919 2.546 -1.984 1.00 0.00 N ATOM 1091 CA LEU A 77 6.432 2.666 -2.027 1.00 0.00 C ATOM 1092 C LEU A 77 6.032 4.075 -1.587 1.00 0.00 C ATOM 1093 O LEU A 77 5.036 4.613 -2.028 1.00 0.00 O ATOM 1094 CB LEU A 77 5.808 1.639 -1.079 1.00 0.00 C ATOM 1095 CG LEU A 77 5.874 0.250 -1.717 1.00 0.00 C ATOM 1096 CD1 LEU A 77 5.578 -0.812 -0.657 1.00 0.00 C ATOM 1097 CD2 LEU A 77 4.836 0.153 -2.837 1.00 0.00 C ATOM 0 H LEU A 77 8.291 2.078 -1.157 1.00 0.00 H new ATOM 0 HA LEU A 77 6.078 2.482 -3.041 1.00 0.00 H new ATOM 0 HB2 LEU A 77 6.338 1.639 -0.126 1.00 0.00 H new ATOM 0 HB3 LEU A 77 4.772 1.905 -0.868 1.00 0.00 H new ATOM 0 HG LEU A 77 6.870 0.087 -2.129 1.00 0.00 H new ATOM 0 HD11 LEU A 77 5.625 -1.802 -1.111 1.00 0.00 H new ATOM 0 HD12 LEU A 77 6.316 -0.744 0.142 1.00 0.00 H new ATOM 0 HD13 LEU A 77 4.582 -0.648 -0.246 1.00 0.00 H new ATOM 0 HD21 LEU A 77 4.883 -0.836 -3.292 1.00 0.00 H new ATOM 0 HD22 LEU A 77 3.840 0.316 -2.425 1.00 0.00 H new ATOM 0 HD23 LEU A 77 5.045 0.910 -3.593 1.00 0.00 H new ATOM 1109 N GLU A 78 6.811 4.672 -0.723 1.00 0.00 N ATOM 1110 CA GLU A 78 6.501 6.048 -0.243 1.00 0.00 C ATOM 1111 C GLU A 78 6.531 7.017 -1.433 1.00 0.00 C ATOM 1112 O GLU A 78 5.581 7.736 -1.681 1.00 0.00 O ATOM 1113 CB GLU A 78 7.554 6.453 0.797 1.00 0.00 C ATOM 1114 CG GLU A 78 7.301 7.888 1.284 1.00 0.00 C ATOM 1115 CD GLU A 78 8.271 8.847 0.590 1.00 0.00 C ATOM 1116 OE1 GLU A 78 9.466 8.640 0.712 1.00 0.00 O ATOM 1117 OE2 GLU A 78 7.800 9.773 -0.052 1.00 0.00 O ATOM 0 H GLU A 78 7.656 4.260 -0.327 1.00 0.00 H new ATOM 0 HA GLU A 78 5.511 6.079 0.212 1.00 0.00 H new ATOM 0 HB2 GLU A 78 7.524 5.765 1.642 1.00 0.00 H new ATOM 0 HB3 GLU A 78 8.551 6.380 0.362 1.00 0.00 H new ATOM 0 HG2 GLU A 78 6.272 8.179 1.071 1.00 0.00 H new ATOM 0 HG3 GLU A 78 7.430 7.944 2.365 1.00 0.00 H new ATOM 1124 N GLU A 79 7.617 7.039 -2.166 1.00 0.00 N ATOM 1125 CA GLU A 79 7.717 7.958 -3.340 1.00 0.00 C ATOM 1126 C GLU A 79 6.622 7.620 -4.357 1.00 0.00 C ATOM 1127 O GLU A 79 6.076 8.493 -5.005 1.00 0.00 O ATOM 1128 CB GLU A 79 9.097 7.810 -3.996 1.00 0.00 C ATOM 1129 CG GLU A 79 9.318 6.358 -4.432 1.00 0.00 C ATOM 1130 CD GLU A 79 10.818 6.097 -4.588 1.00 0.00 C ATOM 1131 OE1 GLU A 79 11.559 6.456 -3.688 1.00 0.00 O ATOM 1132 OE2 GLU A 79 11.200 5.543 -5.606 1.00 0.00 O ATOM 0 H GLU A 79 8.439 6.459 -2.001 1.00 0.00 H new ATOM 0 HA GLU A 79 7.588 8.986 -3.003 1.00 0.00 H new ATOM 0 HB2 GLU A 79 9.172 8.472 -4.858 1.00 0.00 H new ATOM 0 HB3 GLU A 79 9.876 8.110 -3.295 1.00 0.00 H new ATOM 0 HG2 GLU A 79 8.894 5.677 -3.694 1.00 0.00 H new ATOM 0 HG3 GLU A 79 8.805 6.167 -5.374 1.00 0.00 H new ATOM 1139 N THR A 80 6.300 6.358 -4.499 1.00 0.00 N ATOM 1140 CA THR A 80 5.240 5.955 -5.471 1.00 0.00 C ATOM 1141 C THR A 80 3.903 6.569 -5.050 1.00 0.00 C ATOM 1142 O THR A 80 3.074 6.899 -5.877 1.00 0.00 O ATOM 1143 CB THR A 80 5.118 4.428 -5.486 1.00 0.00 C ATOM 1144 OG1 THR A 80 6.394 3.857 -5.739 1.00 0.00 O ATOM 1145 CG2 THR A 80 4.138 4.002 -6.581 1.00 0.00 C ATOM 0 H THR A 80 6.727 5.589 -3.982 1.00 0.00 H new ATOM 0 HA THR A 80 5.505 6.309 -6.467 1.00 0.00 H new ATOM 0 HB THR A 80 4.749 4.082 -4.520 1.00 0.00 H new ATOM 0 HG1 THR A 80 6.916 3.842 -4.910 1.00 0.00 H new ATOM 0 HG21 THR A 80 4.053 2.915 -6.590 1.00 0.00 H new ATOM 0 HG22 THR A 80 3.160 4.441 -6.385 1.00 0.00 H new ATOM 0 HG23 THR A 80 4.502 4.345 -7.549 1.00 0.00 H new ATOM 1153 N MET A 81 3.690 6.723 -3.768 1.00 0.00 N ATOM 1154 CA MET A 81 2.409 7.313 -3.278 1.00 0.00 C ATOM 1155 C MET A 81 2.376 8.807 -3.605 1.00 0.00 C ATOM 1156 O MET A 81 1.347 9.351 -3.956 1.00 0.00 O ATOM 1157 CB MET A 81 2.306 7.122 -1.765 1.00 0.00 C ATOM 1158 CG MET A 81 2.260 5.627 -1.441 1.00 0.00 C ATOM 1159 SD MET A 81 0.540 5.061 -1.438 1.00 0.00 S ATOM 1160 CE MET A 81 0.717 3.801 -0.152 1.00 0.00 C ATOM 0 H MET A 81 4.352 6.464 -3.037 1.00 0.00 H new ATOM 0 HA MET A 81 1.571 6.816 -3.766 1.00 0.00 H new ATOM 0 HB2 MET A 81 3.159 7.586 -1.270 1.00 0.00 H new ATOM 0 HB3 MET A 81 1.411 7.615 -1.386 1.00 0.00 H new ATOM 0 HG2 MET A 81 2.837 5.067 -2.177 1.00 0.00 H new ATOM 0 HG3 MET A 81 2.717 5.441 -0.469 1.00 0.00 H new ATOM 0 HE1 MET A 81 -0.244 3.315 0.016 1.00 0.00 H new ATOM 0 HE2 MET A 81 1.449 3.058 -0.469 1.00 0.00 H new ATOM 0 HE3 MET A 81 1.053 4.270 0.773 1.00 0.00 H new ATOM 1170 N LYS A 82 3.498 9.473 -3.487 1.00 0.00 N ATOM 1171 CA LYS A 82 3.541 10.935 -3.786 1.00 0.00 C ATOM 1172 C LYS A 82 3.953 11.165 -5.246 1.00 0.00 C ATOM 1173 O LYS A 82 4.379 12.245 -5.609 1.00 0.00 O ATOM 1174 CB LYS A 82 4.559 11.610 -2.862 1.00 0.00 C ATOM 1175 CG LYS A 82 3.914 11.884 -1.501 1.00 0.00 C ATOM 1176 CD LYS A 82 3.419 13.334 -1.448 1.00 0.00 C ATOM 1177 CE LYS A 82 4.475 14.214 -0.774 1.00 0.00 C ATOM 1178 NZ LYS A 82 4.494 15.554 -1.427 1.00 0.00 N ATOM 0 H LYS A 82 4.387 9.065 -3.196 1.00 0.00 H new ATOM 0 HA LYS A 82 2.551 11.361 -3.624 1.00 0.00 H new ATOM 0 HB2 LYS A 82 5.434 10.971 -2.739 1.00 0.00 H new ATOM 0 HB3 LYS A 82 4.906 12.543 -3.306 1.00 0.00 H new ATOM 0 HG2 LYS A 82 3.082 11.199 -1.337 1.00 0.00 H new ATOM 0 HG3 LYS A 82 4.635 11.706 -0.703 1.00 0.00 H new ATOM 0 HD2 LYS A 82 3.218 13.697 -2.456 1.00 0.00 H new ATOM 0 HD3 LYS A 82 2.480 13.388 -0.897 1.00 0.00 H new ATOM 0 HE2 LYS A 82 4.253 14.318 0.288 1.00 0.00 H new ATOM 0 HE3 LYS A 82 5.457 13.746 -0.850 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 5.211 16.153 -0.970 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 4.725 15.446 -2.435 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 3.559 16.000 -1.332 1.00 0.00 H new ATOM 1192 N SER A 83 3.830 10.164 -6.086 1.00 0.00 N ATOM 1193 CA SER A 83 4.215 10.331 -7.518 1.00 0.00 C ATOM 1194 C SER A 83 3.003 10.801 -8.325 1.00 0.00 C ATOM 1195 O SER A 83 3.124 11.606 -9.229 1.00 0.00 O ATOM 1196 CB SER A 83 4.707 8.994 -8.070 1.00 0.00 C ATOM 1197 OG SER A 83 3.603 8.107 -8.200 1.00 0.00 O ATOM 0 H SER A 83 3.479 9.239 -5.838 1.00 0.00 H new ATOM 0 HA SER A 83 5.010 11.073 -7.595 1.00 0.00 H new ATOM 0 HB2 SER A 83 5.187 9.141 -9.038 1.00 0.00 H new ATOM 0 HB3 SER A 83 5.456 8.566 -7.404 1.00 0.00 H new ATOM 0 HG SER A 83 3.507 7.582 -7.378 1.00 0.00 H new ATOM 1203 N GLU A 84 1.836 10.298 -8.005 1.00 0.00 N ATOM 1204 CA GLU A 84 0.610 10.706 -8.754 1.00 0.00 C ATOM 1205 C GLU A 84 -0.299 11.534 -7.843 1.00 0.00 C ATOM 1206 O GLU A 84 -1.037 12.387 -8.300 1.00 0.00 O ATOM 1207 CB GLU A 84 -0.137 9.455 -9.221 1.00 0.00 C ATOM 1208 CG GLU A 84 0.759 8.651 -10.166 1.00 0.00 C ATOM 1209 CD GLU A 84 -0.062 7.549 -10.838 1.00 0.00 C ATOM 1210 OE1 GLU A 84 -1.132 7.855 -11.335 1.00 0.00 O ATOM 1211 OE2 GLU A 84 0.394 6.418 -10.843 1.00 0.00 O ATOM 0 H GLU A 84 1.681 9.622 -7.257 1.00 0.00 H new ATOM 0 HA GLU A 84 0.895 11.306 -9.618 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -0.419 8.845 -8.363 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -1.059 9.737 -9.729 1.00 0.00 H new ATOM 0 HG2 GLU A 84 1.191 9.308 -10.921 1.00 0.00 H new ATOM 0 HG3 GLU A 84 1.589 8.213 -9.612 1.00 0.00 H new ATOM 1218 N GLY A 85 -0.252 11.286 -6.558 1.00 0.00 N ATOM 1219 CA GLY A 85 -1.109 12.050 -5.610 1.00 0.00 C ATOM 1220 C GLY A 85 -2.111 11.102 -4.950 1.00 0.00 C ATOM 1221 O GLY A 85 -3.246 11.463 -4.699 1.00 0.00 O ATOM 0 H GLY A 85 0.347 10.583 -6.126 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -0.491 12.530 -4.851 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -1.637 12.843 -6.139 1.00 0.00 H new ATOM 1225 N LEU A 86 -1.698 9.893 -4.669 1.00 0.00 N ATOM 1226 CA LEU A 86 -2.617 8.911 -4.025 1.00 0.00 C ATOM 1227 C LEU A 86 -2.615 9.129 -2.511 1.00 0.00 C ATOM 1228 O LEU A 86 -3.645 9.063 -1.866 1.00 0.00 O ATOM 1229 CB LEU A 86 -2.142 7.490 -4.338 1.00 0.00 C ATOM 1230 CG LEU A 86 -2.233 7.241 -5.843 1.00 0.00 C ATOM 1231 CD1 LEU A 86 -1.136 6.266 -6.268 1.00 0.00 C ATOM 1232 CD2 LEU A 86 -3.602 6.643 -6.176 1.00 0.00 C ATOM 0 H LEU A 86 -0.759 9.543 -4.859 1.00 0.00 H new ATOM 0 HA LEU A 86 -3.627 9.050 -4.410 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -1.115 7.355 -3.998 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -2.753 6.765 -3.801 1.00 0.00 H new ATOM 0 HG LEU A 86 -2.106 8.184 -6.375 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -1.202 6.089 -7.342 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -0.160 6.689 -6.029 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -1.262 5.323 -5.737 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -3.670 6.464 -7.249 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -3.727 5.701 -5.643 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -4.386 7.338 -5.874 1.00 0.00 H new ATOM 1244 N GLY A 87 -1.465 9.386 -1.942 1.00 0.00 N ATOM 1245 CA GLY A 87 -1.384 9.611 -0.468 1.00 0.00 C ATOM 1246 C GLY A 87 -0.013 10.189 -0.114 1.00 0.00 C ATOM 1247 O GLY A 87 0.701 10.681 -0.968 1.00 0.00 O ATOM 0 H GLY A 87 -0.576 9.450 -2.437 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -2.171 10.294 -0.150 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -1.543 8.672 0.063 1.00 0.00 H new ATOM 1251 N GLU A 88 0.357 10.135 1.140 1.00 0.00 N ATOM 1252 CA GLU A 88 1.680 10.682 1.560 1.00 0.00 C ATOM 1253 C GLU A 88 2.093 10.056 2.895 1.00 0.00 C ATOM 1254 O GLU A 88 2.966 10.609 3.542 1.00 0.00 O ATOM 1255 CB GLU A 88 1.577 12.200 1.718 1.00 0.00 C ATOM 1256 CG GLU A 88 0.425 12.538 2.669 1.00 0.00 C ATOM 1257 CD GLU A 88 0.239 14.055 2.725 1.00 0.00 C ATOM 1258 OE1 GLU A 88 -0.336 14.641 1.830 1.00 0.00 O ATOM 1259 OE2 GLU A 88 0.702 14.720 3.748 1.00 0.00 O ATOM 1260 OXT GLU A 88 1.529 9.032 3.247 1.00 0.00 O ATOM 0 H GLU A 88 -0.203 9.734 1.893 1.00 0.00 H new ATOM 0 HA GLU A 88 2.427 10.445 0.803 1.00 0.00 H new ATOM 0 HB2 GLU A 88 2.513 12.600 2.107 1.00 0.00 H new ATOM 0 HB3 GLU A 88 1.410 12.667 0.747 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -0.494 12.060 2.329 1.00 0.00 H new ATOM 0 HG3 GLU A 88 0.636 12.150 3.665 1.00 0.00 H new TER 1267 GLU A 88