USER MOD reduce.3.24.130724 H: found=0, std=0, add=762, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 762 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 98 SER OG : rot 86:sc= 0.0974 USER MOD Set 1.2: A 99 ASN : amide:sc= -0.128! C(o=-0.031!,f=-10!) USER MOD Set 2.1: A 39 THR OG1 : rot -75:sc= -0.801 USER MOD Set 2.2: A 90 ASN : amide:sc= -2.74! C(o=-3.5!,f=-8.6!) USER MOD Set 3.1: A 59 TYR OH : rot 180:sc= 0 USER MOD Set 3.2: A 85 LYS NZ :NH3+ -110:sc= 0.372 (180deg=0) USER MOD Set 4.1: A 31 TYR OH : rot 180:sc= -0.572 USER MOD Set 4.2: A 36 ASN : amide:sc= -4.4! K(o=-5!,f=-1.8) USER MOD Set 5.1: A 17 THR OG1 : rot 140:sc=-0.00111 USER MOD Set 5.2: A 101 MET CE :methyl -158:sc= -0.0388 (180deg=0) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 ASN : amide:sc= -1.29 K(o=-1.3,f=-4!) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 MET CE :methyl 162:sc= -8.32! (180deg=-9.6!) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 MET CE :methyl -134:sc= -0.0595 (180deg=-1.73!) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 37 ASN : amide:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 38 ASN : amide:sc= -3.22! C(o=-3.2!,f=-2.5!) USER MOD Single : A 42 HIS : no HD1:sc= -0.23 X(o=-0.23,f=-0.25) USER MOD Single : A 45 TYR OH : rot 129:sc= 0.00568 USER MOD Single : A 47 TYR OH : rot 165:sc= -0.402 USER MOD Single : A 48 TYR OH : rot 12:sc= 0.567 USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot -4:sc= -1.27 USER MOD Single : A 55 ASN : amide:sc= -2.53 K(o=-2.5,f=-7.2!) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ 155:sc= -0.0569 (180deg=-1.07!) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 69 TYR OH : rot 120:sc= -0.817 USER MOD Single : A 71 HIS : no HD1:sc= -1.53 K(o=-1.5,f=-0.58) USER MOD Single : A 72 SER OG : rot 37:sc= 1.13 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 75 HIS : no HD1:sc=-0.00586 X(o=-0.0059,f=0) USER MOD Single : A 77 GLN : amide:sc= 0 X(o=0,f=-0.052) USER MOD Single : A 80 THR OG1 : rot 11:sc= -0.669 USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 82 TYR OH : rot 177:sc= -3.58! USER MOD Single : A 86 MET CE :methyl -147:sc= -1.22 (180deg=-4.44!) USER MOD Single : A 87 GLN : amide:sc= -1.06 X(o=-1.1,f=-1.5) USER MOD Single : A 88 CYS SG : rot 180:sc= -2.32 USER MOD Single : A 95 SER OG : rot -100:sc= -3.06 USER MOD Single : A 103 CYS SG : rot 180:sc= -0.179 USER MOD Single : A 105 THR OG1 : rot 174:sc= 2.31 USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 66 N PRO A 8 11.306 11.568 -5.656 1.00 0.00 N ATOM 67 CA PRO A 8 11.638 10.639 -4.572 1.00 0.00 C ATOM 68 C PRO A 8 11.940 9.235 -5.084 1.00 0.00 C ATOM 69 O PRO A 8 11.272 8.736 -5.989 1.00 0.00 O ATOM 70 CB PRO A 8 10.373 10.633 -3.710 1.00 0.00 C ATOM 71 CG PRO A 8 9.276 11.010 -4.645 1.00 0.00 C ATOM 72 CD PRO A 8 9.886 11.959 -5.639 1.00 0.00 C ATOM 0 HA PRO A 8 12.535 10.944 -4.034 1.00 0.00 H new ATOM 0 HB2 PRO A 8 10.198 9.651 -3.270 1.00 0.00 H new ATOM 0 HB3 PRO A 8 10.452 11.342 -2.886 1.00 0.00 H new ATOM 0 HG2 PRO A 8 8.869 10.130 -5.144 1.00 0.00 H new ATOM 0 HG3 PRO A 8 8.452 11.482 -4.110 1.00 0.00 H new ATOM 0 HD2 PRO A 8 9.429 11.858 -6.624 1.00 0.00 H new ATOM 0 HD3 PRO A 8 9.759 12.998 -5.334 1.00 0.00 H new ATOM 80 N VAL A 9 12.952 8.601 -4.498 1.00 0.00 N ATOM 81 CA VAL A 9 13.342 7.253 -4.894 1.00 0.00 C ATOM 82 C VAL A 9 13.349 6.309 -3.697 1.00 0.00 C ATOM 83 O VAL A 9 12.898 5.168 -3.791 1.00 0.00 O ATOM 84 CB VAL A 9 14.735 7.242 -5.551 1.00 0.00 C ATOM 85 CG1 VAL A 9 14.718 8.030 -6.852 1.00 0.00 C ATOM 86 CG2 VAL A 9 15.779 7.799 -4.595 1.00 0.00 C ATOM 0 H VAL A 9 13.516 9.000 -3.748 1.00 0.00 H new ATOM 0 HA VAL A 9 12.604 6.910 -5.619 1.00 0.00 H new ATOM 0 HB VAL A 9 15.000 6.210 -5.782 1.00 0.00 H new ATOM 0 HG11 VAL A 9 15.711 8.011 -7.302 1.00 0.00 H new ATOM 0 HG12 VAL A 9 14.000 7.583 -7.539 1.00 0.00 H new ATOM 0 HG13 VAL A 9 14.431 9.062 -6.649 1.00 0.00 H new ATOM 0 HG21 VAL A 9 16.757 7.784 -5.075 1.00 0.00 H new ATOM 0 HG22 VAL A 9 15.520 8.824 -4.331 1.00 0.00 H new ATOM 0 HG23 VAL A 9 15.809 7.188 -3.693 1.00 0.00 H new ATOM 96 N ALA A 10 13.862 6.794 -2.571 1.00 0.00 N ATOM 97 CA ALA A 10 13.926 5.994 -1.354 1.00 0.00 C ATOM 98 C ALA A 10 12.653 5.175 -1.169 1.00 0.00 C ATOM 99 O ALA A 10 12.690 4.063 -0.644 1.00 0.00 O ATOM 100 CB ALA A 10 14.160 6.889 -0.146 1.00 0.00 C ATOM 0 H ALA A 10 14.239 7.737 -2.476 1.00 0.00 H new ATOM 0 HA ALA A 10 14.763 5.302 -1.447 1.00 0.00 H new ATOM 0 HB1 ALA A 10 14.206 6.278 0.756 1.00 0.00 H new ATOM 0 HB2 ALA A 10 15.100 7.427 -0.268 1.00 0.00 H new ATOM 0 HB3 ALA A 10 13.342 7.604 -0.059 1.00 0.00 H new ATOM 106 N GLY A 11 11.527 5.733 -1.603 1.00 0.00 N ATOM 107 CA GLY A 11 10.258 5.039 -1.475 1.00 0.00 C ATOM 108 C GLY A 11 9.926 4.699 -0.036 1.00 0.00 C ATOM 109 O GLY A 11 10.810 4.479 0.792 1.00 0.00 O ATOM 0 H GLY A 11 11.470 6.653 -2.041 1.00 0.00 H new ATOM 0 HA2 GLY A 11 9.464 5.660 -1.891 1.00 0.00 H new ATOM 0 HA3 GLY A 11 10.288 4.122 -2.064 1.00 0.00 H new ATOM 113 N PRO A 12 8.624 4.654 0.280 1.00 0.00 N ATOM 114 CA PRO A 12 8.147 4.341 1.631 1.00 0.00 C ATOM 115 C PRO A 12 8.389 2.883 2.006 1.00 0.00 C ATOM 116 O PRO A 12 8.632 2.041 1.142 1.00 0.00 O ATOM 117 CB PRO A 12 6.646 4.631 1.553 1.00 0.00 C ATOM 118 CG PRO A 12 6.302 4.465 0.113 1.00 0.00 C ATOM 119 CD PRO A 12 7.516 4.906 -0.656 1.00 0.00 C ATOM 0 HA PRO A 12 8.668 4.921 2.393 1.00 0.00 H new ATOM 0 HB2 PRO A 12 6.077 3.943 2.178 1.00 0.00 H new ATOM 0 HB3 PRO A 12 6.419 5.639 1.901 1.00 0.00 H new ATOM 0 HG2 PRO A 12 6.053 3.428 -0.112 1.00 0.00 H new ATOM 0 HG3 PRO A 12 5.432 5.066 -0.152 1.00 0.00 H new ATOM 0 HD2 PRO A 12 7.634 4.340 -1.580 1.00 0.00 H new ATOM 0 HD3 PRO A 12 7.456 5.959 -0.933 1.00 0.00 H new ATOM 127 N TYR A 13 8.321 2.591 3.301 1.00 0.00 N ATOM 128 CA TYR A 13 8.534 1.235 3.791 1.00 0.00 C ATOM 129 C TYR A 13 7.399 0.805 4.716 1.00 0.00 C ATOM 130 O TYR A 13 7.154 1.430 5.748 1.00 0.00 O ATOM 131 CB TYR A 13 9.871 1.141 4.528 1.00 0.00 C ATOM 132 CG TYR A 13 9.971 -0.051 5.452 1.00 0.00 C ATOM 133 CD1 TYR A 13 9.703 -1.335 4.993 1.00 0.00 C ATOM 134 CD2 TYR A 13 10.331 0.105 6.785 1.00 0.00 C ATOM 135 CE1 TYR A 13 9.792 -2.428 5.833 1.00 0.00 C ATOM 136 CE2 TYR A 13 10.424 -0.981 7.632 1.00 0.00 C ATOM 137 CZ TYR A 13 10.153 -2.246 7.152 1.00 0.00 C ATOM 138 OH TYR A 13 10.244 -3.331 7.994 1.00 0.00 O ATOM 0 H TYR A 13 8.120 3.276 4.030 1.00 0.00 H new ATOM 0 HA TYR A 13 8.552 0.564 2.932 1.00 0.00 H new ATOM 0 HB2 TYR A 13 10.677 1.091 3.796 1.00 0.00 H new ATOM 0 HB3 TYR A 13 10.022 2.052 5.107 1.00 0.00 H new ATOM 0 HD1 TYR A 13 9.420 -1.481 3.961 1.00 0.00 H new ATOM 0 HD2 TYR A 13 10.542 1.094 7.165 1.00 0.00 H new ATOM 0 HE1 TYR A 13 9.580 -3.419 5.459 1.00 0.00 H new ATOM 0 HE2 TYR A 13 10.707 -0.841 8.665 1.00 0.00 H new ATOM 0 HH TYR A 13 10.510 -3.030 8.888 1.00 0.00 H new ATOM 148 N ILE A 14 6.711 -0.267 4.338 1.00 0.00 N ATOM 149 CA ILE A 14 5.604 -0.783 5.133 1.00 0.00 C ATOM 150 C ILE A 14 6.109 -1.475 6.395 1.00 0.00 C ATOM 151 O ILE A 14 6.807 -2.487 6.325 1.00 0.00 O ATOM 152 CB ILE A 14 4.745 -1.774 4.326 1.00 0.00 C ATOM 153 CG1 ILE A 14 4.328 -1.152 2.992 1.00 0.00 C ATOM 154 CG2 ILE A 14 3.521 -2.189 5.128 1.00 0.00 C ATOM 155 CD1 ILE A 14 4.011 -2.174 1.922 1.00 0.00 C ATOM 0 H ILE A 14 6.901 -0.795 3.486 1.00 0.00 H new ATOM 0 HA ILE A 14 4.990 0.073 5.412 1.00 0.00 H new ATOM 0 HB ILE A 14 5.340 -2.664 4.121 1.00 0.00 H new ATOM 0 HG12 ILE A 14 3.453 -0.522 3.152 1.00 0.00 H new ATOM 0 HG13 ILE A 14 5.128 -0.502 2.637 1.00 0.00 H new ATOM 0 HG21 ILE A 14 2.924 -2.890 4.544 1.00 0.00 H new ATOM 0 HG22 ILE A 14 3.838 -2.667 6.055 1.00 0.00 H new ATOM 0 HG23 ILE A 14 2.923 -1.308 5.361 1.00 0.00 H new ATOM 0 HD11 ILE A 14 3.723 -1.662 1.004 1.00 0.00 H new ATOM 0 HD12 ILE A 14 4.891 -2.789 1.734 1.00 0.00 H new ATOM 0 HD13 ILE A 14 3.190 -2.808 2.257 1.00 0.00 H new ATOM 167 N THR A 15 5.749 -0.924 7.550 1.00 0.00 N ATOM 168 CA THR A 15 6.164 -1.488 8.828 1.00 0.00 C ATOM 169 C THR A 15 4.958 -1.897 9.666 1.00 0.00 C ATOM 170 O THR A 15 5.071 -2.105 10.874 1.00 0.00 O ATOM 171 CB THR A 15 7.018 -0.489 9.632 1.00 0.00 C ATOM 172 OG1 THR A 15 6.170 0.429 10.331 1.00 0.00 O ATOM 173 CG2 THR A 15 7.959 0.279 8.715 1.00 0.00 C ATOM 0 H THR A 15 5.171 -0.087 7.626 1.00 0.00 H new ATOM 0 HA THR A 15 6.764 -2.370 8.604 1.00 0.00 H new ATOM 0 HB THR A 15 7.615 -1.051 10.351 1.00 0.00 H new ATOM 0 HG1 THR A 15 6.720 1.059 10.841 1.00 0.00 H new ATOM 0 HG21 THR A 15 8.552 0.978 9.305 1.00 0.00 H new ATOM 0 HG22 THR A 15 8.623 -0.420 8.207 1.00 0.00 H new ATOM 0 HG23 THR A 15 7.377 0.830 7.976 1.00 0.00 H new ATOM 181 N PHE A 16 3.804 -2.013 9.017 1.00 0.00 N ATOM 182 CA PHE A 16 2.576 -2.397 9.703 1.00 0.00 C ATOM 183 C PHE A 16 1.539 -2.917 8.712 1.00 0.00 C ATOM 184 O PHE A 16 1.100 -2.193 7.818 1.00 0.00 O ATOM 185 CB PHE A 16 2.006 -1.208 10.479 1.00 0.00 C ATOM 186 CG PHE A 16 1.188 -1.608 11.673 1.00 0.00 C ATOM 187 CD1 PHE A 16 -0.113 -2.058 11.519 1.00 0.00 C ATOM 188 CD2 PHE A 16 1.721 -1.534 12.950 1.00 0.00 C ATOM 189 CE1 PHE A 16 -0.868 -2.426 12.617 1.00 0.00 C ATOM 190 CE2 PHE A 16 0.971 -1.901 14.052 1.00 0.00 C ATOM 191 CZ PHE A 16 -0.325 -2.348 13.884 1.00 0.00 C ATOM 0 H PHE A 16 3.694 -1.846 8.017 1.00 0.00 H new ATOM 0 HA PHE A 16 2.816 -3.197 10.404 1.00 0.00 H new ATOM 0 HB2 PHE A 16 2.828 -0.572 10.808 1.00 0.00 H new ATOM 0 HB3 PHE A 16 1.388 -0.610 9.809 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -0.542 -2.122 10.530 1.00 0.00 H new ATOM 0 HD2 PHE A 16 2.734 -1.186 13.086 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -1.882 -2.774 12.484 1.00 0.00 H new ATOM 0 HE2 PHE A 16 1.398 -1.838 15.042 1.00 0.00 H new ATOM 0 HZ PHE A 16 -0.913 -2.636 14.743 1.00 0.00 H new ATOM 201 N THR A 17 1.152 -4.178 8.876 1.00 0.00 N ATOM 202 CA THR A 17 0.169 -4.797 7.996 1.00 0.00 C ATOM 203 C THR A 17 -0.774 -5.704 8.778 1.00 0.00 C ATOM 204 O THR A 17 -0.373 -6.761 9.264 1.00 0.00 O ATOM 205 CB THR A 17 0.848 -5.617 6.884 1.00 0.00 C ATOM 206 OG1 THR A 17 2.091 -6.148 7.356 1.00 0.00 O ATOM 207 CG2 THR A 17 1.092 -4.759 5.651 1.00 0.00 C ATOM 0 H THR A 17 1.505 -4.791 9.611 1.00 0.00 H new ATOM 0 HA THR A 17 -0.403 -3.988 7.542 1.00 0.00 H new ATOM 0 HB THR A 17 0.184 -6.437 6.611 1.00 0.00 H new ATOM 0 HG1 THR A 17 2.202 -7.064 7.025 1.00 0.00 H new ATOM 0 HG21 THR A 17 1.573 -5.360 4.879 1.00 0.00 H new ATOM 0 HG22 THR A 17 0.141 -4.381 5.277 1.00 0.00 H new ATOM 0 HG23 THR A 17 1.738 -3.921 5.913 1.00 0.00 H new ATOM 215 N ASP A 18 -2.030 -5.286 8.893 1.00 0.00 N ATOM 216 CA ASP A 18 -3.031 -6.063 9.615 1.00 0.00 C ATOM 217 C ASP A 18 -4.393 -5.958 8.935 1.00 0.00 C ATOM 218 O ASP A 18 -4.780 -4.891 8.459 1.00 0.00 O ATOM 219 CB ASP A 18 -3.133 -5.584 11.064 1.00 0.00 C ATOM 220 CG ASP A 18 -1.972 -6.062 11.914 1.00 0.00 C ATOM 221 OD1 ASP A 18 -1.646 -7.266 11.851 1.00 0.00 O ATOM 222 OD2 ASP A 18 -1.389 -5.232 12.641 1.00 0.00 O ATOM 0 H ASP A 18 -2.379 -4.414 8.496 1.00 0.00 H new ATOM 0 HA ASP A 18 -2.719 -7.107 9.607 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -3.169 -4.495 11.082 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -4.068 -5.941 11.497 1.00 0.00 H new ATOM 227 N ALA A 19 -5.115 -7.073 8.893 1.00 0.00 N ATOM 228 CA ALA A 19 -6.434 -7.106 8.273 1.00 0.00 C ATOM 229 C ALA A 19 -7.506 -6.603 9.234 1.00 0.00 C ATOM 230 O ALA A 19 -7.834 -7.268 10.217 1.00 0.00 O ATOM 231 CB ALA A 19 -6.762 -8.517 7.805 1.00 0.00 C ATOM 0 H ALA A 19 -4.809 -7.965 9.281 1.00 0.00 H new ATOM 0 HA ALA A 19 -6.418 -6.442 7.409 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -7.750 -8.527 7.344 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -6.018 -8.841 7.077 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -6.753 -9.195 8.659 1.00 0.00 H new ATOM 237 N VAL A 20 -8.047 -5.424 8.944 1.00 0.00 N ATOM 238 CA VAL A 20 -9.083 -4.832 9.782 1.00 0.00 C ATOM 239 C VAL A 20 -10.362 -5.659 9.742 1.00 0.00 C ATOM 240 O VAL A 20 -11.139 -5.666 10.696 1.00 0.00 O ATOM 241 CB VAL A 20 -9.402 -3.390 9.345 1.00 0.00 C ATOM 242 CG1 VAL A 20 -10.366 -2.736 10.323 1.00 0.00 C ATOM 243 CG2 VAL A 20 -8.124 -2.576 9.218 1.00 0.00 C ATOM 0 H VAL A 20 -7.785 -4.860 8.135 1.00 0.00 H new ATOM 0 HA VAL A 20 -8.696 -4.818 10.801 1.00 0.00 H new ATOM 0 HB VAL A 20 -9.882 -3.424 8.367 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -10.579 -1.718 9.998 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -11.293 -3.308 10.357 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -9.917 -2.713 11.316 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -8.369 -1.560 8.908 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -7.613 -2.549 10.180 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -7.473 -3.035 8.474 1.00 0.00 H new ATOM 253 N ASN A 21 -10.575 -6.357 8.631 1.00 0.00 N ATOM 254 CA ASN A 21 -11.762 -7.189 8.466 1.00 0.00 C ATOM 255 C ASN A 21 -11.579 -8.174 7.316 1.00 0.00 C ATOM 256 O ASN A 21 -10.506 -8.256 6.721 1.00 0.00 O ATOM 257 CB ASN A 21 -12.992 -6.315 8.214 1.00 0.00 C ATOM 258 CG ASN A 21 -13.694 -5.920 9.499 1.00 0.00 C ATOM 259 OD1 ASN A 21 -13.543 -6.577 10.529 1.00 0.00 O ATOM 260 ND2 ASN A 21 -14.467 -4.842 9.443 1.00 0.00 N ATOM 0 H ASN A 21 -9.941 -6.363 7.832 1.00 0.00 H new ATOM 0 HA ASN A 21 -11.910 -7.755 9.386 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -12.691 -5.416 7.676 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -13.690 -6.852 7.572 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -14.965 -4.528 10.276 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -14.563 -4.328 8.567 1.00 0.00 H new ATOM 267 N GLU A 22 -12.637 -8.919 7.009 1.00 0.00 N ATOM 268 CA GLU A 22 -12.593 -9.899 5.930 1.00 0.00 C ATOM 269 C GLU A 22 -12.598 -9.210 4.569 1.00 0.00 C ATOM 270 O GLU A 22 -12.336 -9.836 3.541 1.00 0.00 O ATOM 271 CB GLU A 22 -13.781 -10.858 6.033 1.00 0.00 C ATOM 272 CG GLU A 22 -15.046 -10.332 5.377 1.00 0.00 C ATOM 273 CD GLU A 22 -16.300 -10.994 5.914 1.00 0.00 C ATOM 274 OE1 GLU A 22 -16.573 -10.853 7.125 1.00 0.00 O ATOM 275 OE2 GLU A 22 -17.008 -11.654 5.125 1.00 0.00 O ATOM 0 H GLU A 22 -13.534 -8.862 7.492 1.00 0.00 H new ATOM 0 HA GLU A 22 -11.668 -10.467 6.027 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -13.511 -11.808 5.572 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -13.984 -11.060 7.085 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -15.112 -9.255 5.535 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -14.987 -10.493 4.301 1.00 0.00 H new ATOM 282 N THR A 23 -12.899 -7.915 4.569 1.00 0.00 N ATOM 283 CA THR A 23 -12.941 -7.140 3.335 1.00 0.00 C ATOM 284 C THR A 23 -12.208 -5.813 3.494 1.00 0.00 C ATOM 285 O THR A 23 -12.321 -4.923 2.650 1.00 0.00 O ATOM 286 CB THR A 23 -14.390 -6.863 2.894 1.00 0.00 C ATOM 287 OG1 THR A 23 -15.174 -6.450 4.020 1.00 0.00 O ATOM 288 CG2 THR A 23 -15.010 -8.101 2.265 1.00 0.00 C ATOM 0 H THR A 23 -13.117 -7.381 5.410 1.00 0.00 H new ATOM 0 HA THR A 23 -12.444 -7.737 2.570 1.00 0.00 H new ATOM 0 HB THR A 23 -14.374 -6.066 2.150 1.00 0.00 H new ATOM 0 HG1 THR A 23 -16.094 -6.274 3.731 1.00 0.00 H new ATOM 0 HG21 THR A 23 -16.034 -7.881 1.961 1.00 0.00 H new ATOM 0 HG22 THR A 23 -14.428 -8.396 1.392 1.00 0.00 H new ATOM 0 HG23 THR A 23 -15.014 -8.915 2.990 1.00 0.00 H new ATOM 296 N THR A 24 -11.454 -5.685 4.582 1.00 0.00 N ATOM 297 CA THR A 24 -10.703 -4.466 4.853 1.00 0.00 C ATOM 298 C THR A 24 -9.311 -4.785 5.386 1.00 0.00 C ATOM 299 O THR A 24 -9.113 -5.790 6.069 1.00 0.00 O ATOM 300 CB THR A 24 -11.435 -3.567 5.867 1.00 0.00 C ATOM 301 OG1 THR A 24 -12.839 -3.553 5.584 1.00 0.00 O ATOM 302 CG2 THR A 24 -10.891 -2.147 5.824 1.00 0.00 C ATOM 0 H THR A 24 -11.348 -6.412 5.290 1.00 0.00 H new ATOM 0 HA THR A 24 -10.614 -3.934 3.906 1.00 0.00 H new ATOM 0 HB THR A 24 -11.269 -3.973 6.865 1.00 0.00 H new ATOM 0 HG1 THR A 24 -13.298 -2.981 6.234 1.00 0.00 H new ATOM 0 HG21 THR A 24 -11.424 -1.531 6.549 1.00 0.00 H new ATOM 0 HG22 THR A 24 -9.829 -2.157 6.067 1.00 0.00 H new ATOM 0 HG23 THR A 24 -11.030 -1.734 4.825 1.00 0.00 H new ATOM 310 N ILE A 25 -8.350 -3.923 5.071 1.00 0.00 N ATOM 311 CA ILE A 25 -6.976 -4.113 5.521 1.00 0.00 C ATOM 312 C ILE A 25 -6.324 -2.781 5.874 1.00 0.00 C ATOM 313 O ILE A 25 -6.432 -1.809 5.126 1.00 0.00 O ATOM 314 CB ILE A 25 -6.126 -4.821 4.450 1.00 0.00 C ATOM 315 CG1 ILE A 25 -6.505 -6.301 4.363 1.00 0.00 C ATOM 316 CG2 ILE A 25 -4.645 -4.666 4.762 1.00 0.00 C ATOM 317 CD1 ILE A 25 -5.729 -7.062 3.311 1.00 0.00 C ATOM 0 H ILE A 25 -8.497 -3.087 4.506 1.00 0.00 H new ATOM 0 HA ILE A 25 -7.019 -4.740 6.411 1.00 0.00 H new ATOM 0 HB ILE A 25 -6.325 -4.357 3.484 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -6.339 -6.768 5.334 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -7.570 -6.383 4.147 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -4.057 -5.172 3.996 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -4.386 -3.607 4.779 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -4.430 -5.108 5.735 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -6.049 -8.104 3.305 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -5.914 -6.620 2.332 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -4.664 -7.011 3.537 1.00 0.00 H new ATOM 329 N MET A 26 -5.645 -2.744 7.016 1.00 0.00 N ATOM 330 CA MET A 26 -4.972 -1.531 7.465 1.00 0.00 C ATOM 331 C MET A 26 -3.457 -1.692 7.394 1.00 0.00 C ATOM 332 O MET A 26 -2.884 -2.565 8.046 1.00 0.00 O ATOM 333 CB MET A 26 -5.393 -1.189 8.896 1.00 0.00 C ATOM 334 CG MET A 26 -4.584 -0.060 9.514 1.00 0.00 C ATOM 335 SD MET A 26 -5.321 1.560 9.228 1.00 0.00 S ATOM 336 CE MET A 26 -4.476 2.056 7.729 1.00 0.00 C ATOM 0 H MET A 26 -5.546 -3.540 7.647 1.00 0.00 H new ATOM 0 HA MET A 26 -5.265 -0.716 6.803 1.00 0.00 H new ATOM 0 HB2 MET A 26 -6.448 -0.914 8.900 1.00 0.00 H new ATOM 0 HB3 MET A 26 -5.294 -2.079 9.518 1.00 0.00 H new ATOM 0 HG2 MET A 26 -4.493 -0.229 10.587 1.00 0.00 H new ATOM 0 HG3 MET A 26 -3.575 -0.074 9.102 1.00 0.00 H new ATOM 0 HE1 MET A 26 -5.029 2.864 7.250 1.00 0.00 H new ATOM 0 HE2 MET A 26 -3.471 2.399 7.974 1.00 0.00 H new ATOM 0 HE3 MET A 26 -4.413 1.207 7.049 1.00 0.00 H new ATOM 346 N LEU A 27 -2.814 -0.845 6.598 1.00 0.00 N ATOM 347 CA LEU A 27 -1.364 -0.893 6.441 1.00 0.00 C ATOM 348 C LEU A 27 -0.750 0.490 6.628 1.00 0.00 C ATOM 349 O LEU A 27 -1.220 1.474 6.056 1.00 0.00 O ATOM 350 CB LEU A 27 -0.999 -1.443 5.061 1.00 0.00 C ATOM 351 CG LEU A 27 -0.895 -0.414 3.934 1.00 0.00 C ATOM 352 CD1 LEU A 27 -0.105 -0.980 2.765 1.00 0.00 C ATOM 353 CD2 LEU A 27 -2.281 0.024 3.482 1.00 0.00 C ATOM 0 H LEU A 27 -3.273 -0.117 6.051 1.00 0.00 H new ATOM 0 HA LEU A 27 -0.962 -1.555 7.208 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -0.044 -1.963 5.140 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -1.745 -2.186 4.779 1.00 0.00 H new ATOM 0 HG LEU A 27 -0.366 0.460 4.314 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -0.042 -0.234 1.973 1.00 0.00 H new ATOM 0 HD12 LEU A 27 0.899 -1.242 3.098 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -0.605 -1.871 2.385 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -2.188 0.756 2.680 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -2.836 -0.842 3.121 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -2.813 0.472 4.322 1.00 0.00 H new ATOM 365 N LYS A 28 0.305 0.559 7.433 1.00 0.00 N ATOM 366 CA LYS A 28 0.988 1.821 7.694 1.00 0.00 C ATOM 367 C LYS A 28 2.411 1.794 7.145 1.00 0.00 C ATOM 368 O LYS A 28 3.131 0.809 7.310 1.00 0.00 O ATOM 369 CB LYS A 28 1.016 2.107 9.197 1.00 0.00 C ATOM 370 CG LYS A 28 -0.346 2.001 9.862 1.00 0.00 C ATOM 371 CD LYS A 28 -0.219 1.731 11.352 1.00 0.00 C ATOM 372 CE LYS A 28 -1.581 1.686 12.028 1.00 0.00 C ATOM 373 NZ LYS A 28 -1.466 1.745 13.512 1.00 0.00 N ATOM 0 H LYS A 28 0.706 -0.245 7.916 1.00 0.00 H new ATOM 0 HA LYS A 28 0.438 2.615 7.189 1.00 0.00 H new ATOM 0 HB2 LYS A 28 1.701 1.409 9.678 1.00 0.00 H new ATOM 0 HB3 LYS A 28 1.414 3.109 9.360 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -0.902 2.925 9.705 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -0.919 1.201 9.394 1.00 0.00 H new ATOM 0 HD2 LYS A 28 0.298 0.784 11.509 1.00 0.00 H new ATOM 0 HD3 LYS A 28 0.392 2.507 11.813 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -2.188 2.521 11.677 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -2.099 0.771 11.740 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -2.415 1.712 13.935 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -0.908 0.935 13.849 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -0.994 2.630 13.789 1.00 0.00 H new ATOM 387 N TRP A 29 2.809 2.880 6.493 1.00 0.00 N ATOM 388 CA TRP A 29 4.147 2.981 5.921 1.00 0.00 C ATOM 389 C TRP A 29 4.952 4.078 6.608 1.00 0.00 C ATOM 390 O TRP A 29 4.387 5.027 7.150 1.00 0.00 O ATOM 391 CB TRP A 29 4.062 3.258 4.419 1.00 0.00 C ATOM 392 CG TRP A 29 3.237 4.463 4.083 1.00 0.00 C ATOM 393 CD1 TRP A 29 3.662 5.760 4.037 1.00 0.00 C ATOM 394 CD2 TRP A 29 1.845 4.483 3.749 1.00 0.00 C ATOM 395 NE1 TRP A 29 2.618 6.585 3.694 1.00 0.00 N ATOM 396 CE2 TRP A 29 1.493 5.826 3.511 1.00 0.00 C ATOM 397 CE3 TRP A 29 0.862 3.497 3.625 1.00 0.00 C ATOM 398 CZ2 TRP A 29 0.200 6.205 3.159 1.00 0.00 C ATOM 399 CZ3 TRP A 29 -0.420 3.875 3.276 1.00 0.00 C ATOM 400 CH2 TRP A 29 -0.742 5.219 3.045 1.00 0.00 C ATOM 0 H TRP A 29 2.225 3.703 6.347 1.00 0.00 H new ATOM 0 HA TRP A 29 4.656 2.030 6.080 1.00 0.00 H new ATOM 0 HB2 TRP A 29 5.069 3.394 4.024 1.00 0.00 H new ATOM 0 HB3 TRP A 29 3.639 2.386 3.919 1.00 0.00 H new ATOM 0 HD1 TRP A 29 4.670 6.089 4.240 1.00 0.00 H new ATOM 0 HE1 TRP A 29 2.672 7.598 3.592 1.00 0.00 H new ATOM 0 HE3 TRP A 29 1.101 2.458 3.799 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 -0.050 7.241 2.982 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 -1.188 3.121 3.179 1.00 0.00 H new ATOM 0 HH2 TRP A 29 -1.753 5.482 2.772 1.00 0.00 H new ATOM 411 N MET A 30 6.273 3.941 6.582 1.00 0.00 N ATOM 412 CA MET A 30 7.155 4.923 7.202 1.00 0.00 C ATOM 413 C MET A 30 7.964 5.671 6.146 1.00 0.00 C ATOM 414 O MET A 30 7.965 5.299 4.972 1.00 0.00 O ATOM 415 CB MET A 30 8.098 4.239 8.194 1.00 0.00 C ATOM 416 CG MET A 30 9.167 3.388 7.528 1.00 0.00 C ATOM 417 SD MET A 30 10.602 4.352 7.014 1.00 0.00 S ATOM 418 CE MET A 30 11.530 4.420 8.544 1.00 0.00 C ATOM 0 H MET A 30 6.757 3.160 6.139 1.00 0.00 H new ATOM 0 HA MET A 30 6.536 5.643 7.738 1.00 0.00 H new ATOM 0 HB2 MET A 30 8.581 5.000 8.807 1.00 0.00 H new ATOM 0 HB3 MET A 30 7.512 3.612 8.866 1.00 0.00 H new ATOM 0 HG2 MET A 30 9.487 2.607 8.218 1.00 0.00 H new ATOM 0 HG3 MET A 30 8.739 2.889 6.659 1.00 0.00 H new ATOM 0 HE1 MET A 30 11.874 5.440 8.716 1.00 0.00 H new ATOM 0 HE2 MET A 30 10.892 4.108 9.371 1.00 0.00 H new ATOM 0 HE3 MET A 30 12.390 3.754 8.478 1.00 0.00 H new ATOM 428 N TYR A 31 8.651 6.725 6.571 1.00 0.00 N ATOM 429 CA TYR A 31 9.462 7.526 5.661 1.00 0.00 C ATOM 430 C TYR A 31 10.796 7.895 6.302 1.00 0.00 C ATOM 431 O TYR A 31 10.855 8.249 7.480 1.00 0.00 O ATOM 432 CB TYR A 31 8.709 8.795 5.257 1.00 0.00 C ATOM 433 CG TYR A 31 9.441 9.633 4.233 1.00 0.00 C ATOM 434 CD1 TYR A 31 10.509 10.441 4.602 1.00 0.00 C ATOM 435 CD2 TYR A 31 9.064 9.615 2.896 1.00 0.00 C ATOM 436 CE1 TYR A 31 11.180 11.208 3.670 1.00 0.00 C ATOM 437 CE2 TYR A 31 9.730 10.378 1.956 1.00 0.00 C ATOM 438 CZ TYR A 31 10.787 11.173 2.348 1.00 0.00 C ATOM 439 OH TYR A 31 11.453 11.935 1.416 1.00 0.00 O ATOM 0 H TYR A 31 8.663 7.045 7.539 1.00 0.00 H new ATOM 0 HA TYR A 31 9.660 6.930 4.770 1.00 0.00 H new ATOM 0 HB2 TYR A 31 7.734 8.517 4.857 1.00 0.00 H new ATOM 0 HB3 TYR A 31 8.528 9.399 6.146 1.00 0.00 H new ATOM 0 HD1 TYR A 31 10.820 10.470 5.636 1.00 0.00 H new ATOM 0 HD2 TYR A 31 8.236 8.994 2.586 1.00 0.00 H new ATOM 0 HE1 TYR A 31 12.008 11.832 3.974 1.00 0.00 H new ATOM 0 HE2 TYR A 31 9.425 10.352 0.920 1.00 0.00 H new ATOM 0 HH TYR A 31 11.053 11.795 0.533 1.00 0.00 H new ATOM 449 N ILE A 32 11.865 7.810 5.518 1.00 0.00 N ATOM 450 CA ILE A 32 13.199 8.137 6.007 1.00 0.00 C ATOM 451 C ILE A 32 13.627 9.527 5.551 1.00 0.00 C ATOM 452 O ILE A 32 13.668 9.832 4.358 1.00 0.00 O ATOM 453 CB ILE A 32 14.241 7.109 5.528 1.00 0.00 C ATOM 454 CG1 ILE A 32 13.878 5.710 6.031 1.00 0.00 C ATOM 455 CG2 ILE A 32 15.631 7.504 6.003 1.00 0.00 C ATOM 456 CD1 ILE A 32 12.929 4.967 5.117 1.00 0.00 C ATOM 0 H ILE A 32 11.834 7.517 4.541 1.00 0.00 H new ATOM 0 HA ILE A 32 13.150 8.114 7.096 1.00 0.00 H new ATOM 0 HB ILE A 32 14.241 7.094 4.438 1.00 0.00 H new ATOM 0 HG12 ILE A 32 14.791 5.126 6.146 1.00 0.00 H new ATOM 0 HG13 ILE A 32 13.427 5.794 7.020 1.00 0.00 H new ATOM 0 HG21 ILE A 32 16.357 6.768 5.657 1.00 0.00 H new ATOM 0 HG22 ILE A 32 15.888 8.484 5.601 1.00 0.00 H new ATOM 0 HG23 ILE A 32 15.646 7.543 7.092 1.00 0.00 H new ATOM 0 HD11 ILE A 32 12.716 3.984 5.536 1.00 0.00 H new ATOM 0 HD12 ILE A 32 12.001 5.530 5.021 1.00 0.00 H new ATOM 0 HD13 ILE A 32 13.386 4.851 4.134 1.00 0.00 H new ATOM 468 N PRO A 33 13.955 10.393 6.521 1.00 0.00 N ATOM 469 CA PRO A 33 14.388 11.766 6.244 1.00 0.00 C ATOM 470 C PRO A 33 15.767 11.819 5.595 1.00 0.00 C ATOM 471 O PRO A 33 16.245 12.888 5.216 1.00 0.00 O ATOM 472 CB PRO A 33 14.424 12.413 7.630 1.00 0.00 C ATOM 473 CG PRO A 33 14.634 11.279 8.573 1.00 0.00 C ATOM 474 CD PRO A 33 13.929 10.099 7.964 1.00 0.00 C ATOM 0 HA PRO A 33 13.724 12.269 5.541 1.00 0.00 H new ATOM 0 HB2 PRO A 33 15.229 13.144 7.705 1.00 0.00 H new ATOM 0 HB3 PRO A 33 13.494 12.940 7.845 1.00 0.00 H new ATOM 0 HG2 PRO A 33 15.696 11.073 8.706 1.00 0.00 H new ATOM 0 HG3 PRO A 33 14.229 11.510 9.558 1.00 0.00 H new ATOM 0 HD2 PRO A 33 14.440 9.164 8.193 1.00 0.00 H new ATOM 0 HD3 PRO A 33 12.909 10.004 8.336 1.00 0.00 H new ATOM 482 N ALA A 34 16.403 10.658 5.471 1.00 0.00 N ATOM 483 CA ALA A 34 17.726 10.572 4.866 1.00 0.00 C ATOM 484 C ALA A 34 17.654 9.954 3.474 1.00 0.00 C ATOM 485 O ALA A 34 16.569 9.669 2.966 1.00 0.00 O ATOM 486 CB ALA A 34 18.662 9.767 5.755 1.00 0.00 C ATOM 0 H ALA A 34 16.023 9.764 5.782 1.00 0.00 H new ATOM 0 HA ALA A 34 18.119 11.584 4.766 1.00 0.00 H new ATOM 0 HB1 ALA A 34 19.646 9.711 5.290 1.00 0.00 H new ATOM 0 HB2 ALA A 34 18.747 10.252 6.728 1.00 0.00 H new ATOM 0 HB3 ALA A 34 18.264 8.760 5.885 1.00 0.00 H new ATOM 492 N SER A 35 18.815 9.751 2.861 1.00 0.00 N ATOM 493 CA SER A 35 18.884 9.171 1.524 1.00 0.00 C ATOM 494 C SER A 35 17.752 9.696 0.646 1.00 0.00 C ATOM 495 O SER A 35 17.108 8.936 -0.075 1.00 0.00 O ATOM 496 CB SER A 35 18.816 7.645 1.604 1.00 0.00 C ATOM 497 OG SER A 35 20.051 7.101 2.037 1.00 0.00 O ATOM 0 H SER A 35 19.722 9.979 3.269 1.00 0.00 H new ATOM 0 HA SER A 35 19.834 9.463 1.076 1.00 0.00 H new ATOM 0 HB2 SER A 35 18.024 7.349 2.291 1.00 0.00 H new ATOM 0 HB3 SER A 35 18.559 7.238 0.626 1.00 0.00 H new ATOM 0 HG SER A 35 19.981 6.125 2.081 1.00 0.00 H new ATOM 503 N ASN A 36 17.517 11.003 0.713 1.00 0.00 N ATOM 504 CA ASN A 36 16.463 11.631 -0.075 1.00 0.00 C ATOM 505 C ASN A 36 16.829 13.071 -0.423 1.00 0.00 C ATOM 506 O ASN A 36 17.709 13.666 0.198 1.00 0.00 O ATOM 507 CB ASN A 36 15.138 11.601 0.690 1.00 0.00 C ATOM 508 CG ASN A 36 14.020 12.297 -0.062 1.00 0.00 C ATOM 509 OD1 ASN A 36 13.577 11.828 -1.111 1.00 0.00 O ATOM 510 ND2 ASN A 36 13.559 13.422 0.472 1.00 0.00 N ATOM 0 H ASN A 36 18.042 11.647 1.305 1.00 0.00 H new ATOM 0 HA ASN A 36 16.353 11.068 -1.002 1.00 0.00 H new ATOM 0 HB2 ASN A 36 14.855 10.566 0.880 1.00 0.00 H new ATOM 0 HB3 ASN A 36 15.271 12.078 1.661 1.00 0.00 H new ATOM 0 HD21 ASN A 36 12.807 13.935 0.011 1.00 0.00 H new ATOM 0 HD22 ASN A 36 13.956 13.773 1.343 1.00 0.00 H new ATOM 517 N ASN A 37 16.147 13.624 -1.420 1.00 0.00 N ATOM 518 CA ASN A 37 16.400 14.994 -1.852 1.00 0.00 C ATOM 519 C ASN A 37 15.433 15.964 -1.180 1.00 0.00 C ATOM 520 O ASN A 37 15.084 17.000 -1.744 1.00 0.00 O ATOM 521 CB ASN A 37 16.275 15.104 -3.373 1.00 0.00 C ATOM 522 CG ASN A 37 17.571 14.767 -4.085 1.00 0.00 C ATOM 523 OD1 ASN A 37 18.196 13.743 -3.809 1.00 0.00 O ATOM 524 ND2 ASN A 37 17.980 15.631 -5.007 1.00 0.00 N ATOM 0 H ASN A 37 15.415 13.145 -1.944 1.00 0.00 H new ATOM 0 HA ASN A 37 17.416 15.259 -1.558 1.00 0.00 H new ATOM 0 HB2 ASN A 37 15.488 14.434 -3.720 1.00 0.00 H new ATOM 0 HB3 ASN A 37 15.971 16.117 -3.638 1.00 0.00 H new ATOM 0 HD21 ASN A 37 18.845 15.459 -5.520 1.00 0.00 H new ATOM 0 HD22 ASN A 37 17.429 16.467 -5.203 1.00 0.00 H new ATOM 531 N ASN A 38 15.003 15.619 0.030 1.00 0.00 N ATOM 532 CA ASN A 38 14.076 16.459 0.780 1.00 0.00 C ATOM 533 C ASN A 38 13.012 17.050 -0.140 1.00 0.00 C ATOM 534 O ASN A 38 12.550 18.173 0.066 1.00 0.00 O ATOM 535 CB ASN A 38 14.833 17.582 1.490 1.00 0.00 C ATOM 536 CG ASN A 38 15.840 18.264 0.584 1.00 0.00 C ATOM 537 OD1 ASN A 38 17.046 18.052 0.707 1.00 0.00 O ATOM 538 ND2 ASN A 38 15.347 19.089 -0.333 1.00 0.00 N ATOM 0 H ASN A 38 15.282 14.764 0.512 1.00 0.00 H new ATOM 0 HA ASN A 38 13.582 15.836 1.525 1.00 0.00 H new ATOM 0 HB2 ASN A 38 14.121 18.321 1.858 1.00 0.00 H new ATOM 0 HB3 ASN A 38 15.348 17.175 2.360 1.00 0.00 H new ATOM 0 HD21 ASN A 38 15.976 19.577 -0.971 1.00 0.00 H new ATOM 0 HD22 ASN A 38 14.340 19.235 -0.399 1.00 0.00 H new ATOM 545 N THR A 39 12.626 16.285 -1.157 1.00 0.00 N ATOM 546 CA THR A 39 11.617 16.733 -2.109 1.00 0.00 C ATOM 547 C THR A 39 10.210 16.502 -1.568 1.00 0.00 C ATOM 548 O THR A 39 9.917 15.479 -0.950 1.00 0.00 O ATOM 549 CB THR A 39 11.760 16.008 -3.461 1.00 0.00 C ATOM 550 OG1 THR A 39 11.087 16.747 -4.486 1.00 0.00 O ATOM 551 CG2 THR A 39 11.188 14.601 -3.384 1.00 0.00 C ATOM 0 H THR A 39 12.997 15.353 -1.342 1.00 0.00 H new ATOM 0 HA THR A 39 11.775 17.801 -2.259 1.00 0.00 H new ATOM 0 HB THR A 39 12.821 15.938 -3.701 1.00 0.00 H new ATOM 0 HG1 THR A 39 10.119 16.624 -4.396 1.00 0.00 H new ATOM 0 HG21 THR A 39 11.300 14.109 -4.350 1.00 0.00 H new ATOM 0 HG22 THR A 39 11.722 14.032 -2.623 1.00 0.00 H new ATOM 0 HG23 THR A 39 10.131 14.652 -3.124 1.00 0.00 H new ATOM 559 N PRO A 40 9.317 17.475 -1.806 1.00 0.00 N ATOM 560 CA PRO A 40 7.926 17.400 -1.352 1.00 0.00 C ATOM 561 C PRO A 40 7.125 16.346 -2.108 1.00 0.00 C ATOM 562 O PRO A 40 7.228 16.234 -3.330 1.00 0.00 O ATOM 563 CB PRO A 40 7.380 18.799 -1.647 1.00 0.00 C ATOM 564 CG PRO A 40 8.232 19.311 -2.756 1.00 0.00 C ATOM 565 CD PRO A 40 9.598 18.722 -2.536 1.00 0.00 C ATOM 0 HA PRO A 40 7.855 17.112 -0.303 1.00 0.00 H new ATOM 0 HB2 PRO A 40 6.331 18.761 -1.939 1.00 0.00 H new ATOM 0 HB3 PRO A 40 7.444 19.442 -0.769 1.00 0.00 H new ATOM 0 HG2 PRO A 40 7.831 19.014 -3.725 1.00 0.00 H new ATOM 0 HG3 PRO A 40 8.271 20.400 -2.747 1.00 0.00 H new ATOM 0 HD2 PRO A 40 10.109 18.529 -3.479 1.00 0.00 H new ATOM 0 HD3 PRO A 40 10.236 19.391 -1.958 1.00 0.00 H new ATOM 573 N ILE A 41 6.328 15.575 -1.375 1.00 0.00 N ATOM 574 CA ILE A 41 5.509 14.532 -1.979 1.00 0.00 C ATOM 575 C ILE A 41 4.059 14.982 -2.116 1.00 0.00 C ATOM 576 O ILE A 41 3.517 15.645 -1.231 1.00 0.00 O ATOM 577 CB ILE A 41 5.556 13.232 -1.153 1.00 0.00 C ATOM 578 CG1 ILE A 41 6.992 12.927 -0.722 1.00 0.00 C ATOM 579 CG2 ILE A 41 4.981 12.074 -1.956 1.00 0.00 C ATOM 580 CD1 ILE A 41 7.132 11.625 0.035 1.00 0.00 C ATOM 0 H ILE A 41 6.232 15.653 -0.363 1.00 0.00 H new ATOM 0 HA ILE A 41 5.922 14.339 -2.969 1.00 0.00 H new ATOM 0 HB ILE A 41 4.949 13.365 -0.258 1.00 0.00 H new ATOM 0 HG12 ILE A 41 7.629 12.894 -1.606 1.00 0.00 H new ATOM 0 HG13 ILE A 41 7.356 13.742 -0.097 1.00 0.00 H new ATOM 0 HG21 ILE A 41 5.021 11.162 -1.360 1.00 0.00 H new ATOM 0 HG22 ILE A 41 3.945 12.291 -2.218 1.00 0.00 H new ATOM 0 HG23 ILE A 41 5.564 11.938 -2.867 1.00 0.00 H new ATOM 0 HD11 ILE A 41 8.176 11.474 0.309 1.00 0.00 H new ATOM 0 HD12 ILE A 41 6.522 11.661 0.938 1.00 0.00 H new ATOM 0 HD13 ILE A 41 6.799 10.800 -0.595 1.00 0.00 H new ATOM 592 N HIS A 42 3.434 14.615 -3.230 1.00 0.00 N ATOM 593 CA HIS A 42 2.044 14.978 -3.483 1.00 0.00 C ATOM 594 C HIS A 42 1.095 14.063 -2.715 1.00 0.00 C ATOM 595 O HIS A 42 0.065 14.506 -2.208 1.00 0.00 O ATOM 596 CB HIS A 42 1.740 14.908 -4.980 1.00 0.00 C ATOM 597 CG HIS A 42 2.051 16.176 -5.714 1.00 0.00 C ATOM 598 ND1 HIS A 42 1.458 16.516 -6.912 1.00 0.00 N ATOM 599 CD2 HIS A 42 2.897 17.188 -5.414 1.00 0.00 C ATOM 600 CE1 HIS A 42 1.927 17.683 -7.317 1.00 0.00 C ATOM 601 NE2 HIS A 42 2.802 18.112 -6.425 1.00 0.00 N ATOM 0 H HIS A 42 3.868 14.066 -3.972 1.00 0.00 H new ATOM 0 HA HIS A 42 1.893 16.001 -3.137 1.00 0.00 H new ATOM 0 HB2 HIS A 42 2.313 14.093 -5.421 1.00 0.00 H new ATOM 0 HB3 HIS A 42 0.686 14.667 -5.117 1.00 0.00 H new ATOM 0 HD2 HIS A 42 3.530 17.256 -4.541 1.00 0.00 H new ATOM 0 HE1 HIS A 42 1.643 18.198 -8.223 1.00 0.00 H new ATOM 0 HE2 HIS A 42 3.322 18.988 -6.479 1.00 0.00 H new ATOM 610 N GLY A 43 1.449 12.784 -2.636 1.00 0.00 N ATOM 611 CA GLY A 43 0.617 11.827 -1.929 1.00 0.00 C ATOM 612 C GLY A 43 1.282 10.471 -1.793 1.00 0.00 C ATOM 613 O GLY A 43 2.493 10.383 -1.591 1.00 0.00 O ATOM 0 H GLY A 43 2.296 12.393 -3.048 1.00 0.00 H new ATOM 0 HA2 GLY A 43 0.384 12.215 -0.937 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -0.330 11.713 -2.457 1.00 0.00 H new ATOM 617 N PHE A 44 0.487 9.411 -1.903 1.00 0.00 N ATOM 618 CA PHE A 44 1.005 8.053 -1.788 1.00 0.00 C ATOM 619 C PHE A 44 0.111 7.065 -2.532 1.00 0.00 C ATOM 620 O PHE A 44 -1.100 7.022 -2.314 1.00 0.00 O ATOM 621 CB PHE A 44 1.116 7.649 -0.317 1.00 0.00 C ATOM 622 CG PHE A 44 2.298 8.256 0.384 1.00 0.00 C ATOM 623 CD1 PHE A 44 3.589 7.913 0.016 1.00 0.00 C ATOM 624 CD2 PHE A 44 2.118 9.170 1.409 1.00 0.00 C ATOM 625 CE1 PHE A 44 4.679 8.469 0.660 1.00 0.00 C ATOM 626 CE2 PHE A 44 3.204 9.730 2.056 1.00 0.00 C ATOM 627 CZ PHE A 44 4.486 9.380 1.680 1.00 0.00 C ATOM 0 H PHE A 44 -0.517 9.467 -2.071 1.00 0.00 H new ATOM 0 HA PHE A 44 1.997 8.030 -2.239 1.00 0.00 H new ATOM 0 HB2 PHE A 44 0.204 7.945 0.202 1.00 0.00 H new ATOM 0 HB3 PHE A 44 1.183 6.563 -0.251 1.00 0.00 H new ATOM 0 HD1 PHE A 44 3.746 7.203 -0.783 1.00 0.00 H new ATOM 0 HD2 PHE A 44 1.118 9.448 1.706 1.00 0.00 H new ATOM 0 HE1 PHE A 44 5.680 8.191 0.366 1.00 0.00 H new ATOM 0 HE2 PHE A 44 3.050 10.440 2.855 1.00 0.00 H new ATOM 0 HZ PHE A 44 5.336 9.818 2.183 1.00 0.00 H new ATOM 637 N TYR A 45 0.716 6.275 -3.411 1.00 0.00 N ATOM 638 CA TYR A 45 -0.025 5.290 -4.190 1.00 0.00 C ATOM 639 C TYR A 45 0.047 3.913 -3.537 1.00 0.00 C ATOM 640 O TYR A 45 1.070 3.539 -2.961 1.00 0.00 O ATOM 641 CB TYR A 45 0.524 5.219 -5.616 1.00 0.00 C ATOM 642 CG TYR A 45 -0.019 6.296 -6.528 1.00 0.00 C ATOM 643 CD1 TYR A 45 -1.379 6.580 -6.567 1.00 0.00 C ATOM 644 CD2 TYR A 45 0.828 7.030 -7.349 1.00 0.00 C ATOM 645 CE1 TYR A 45 -1.879 7.563 -7.399 1.00 0.00 C ATOM 646 CE2 TYR A 45 0.336 8.016 -8.183 1.00 0.00 C ATOM 647 CZ TYR A 45 -1.018 8.278 -8.205 1.00 0.00 C ATOM 648 OH TYR A 45 -1.512 9.259 -9.034 1.00 0.00 O ATOM 0 H TYR A 45 1.718 6.297 -3.602 1.00 0.00 H new ATOM 0 HA TYR A 45 -1.069 5.602 -4.224 1.00 0.00 H new ATOM 0 HB2 TYR A 45 1.611 5.297 -5.582 1.00 0.00 H new ATOM 0 HB3 TYR A 45 0.287 4.243 -6.039 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -2.056 6.023 -5.936 1.00 0.00 H new ATOM 0 HD2 TYR A 45 1.889 6.827 -7.335 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -2.939 7.771 -7.418 1.00 0.00 H new ATOM 0 HE2 TYR A 45 1.008 8.578 -8.814 1.00 0.00 H new ATOM 0 HH TYR A 45 -1.009 10.089 -8.895 1.00 0.00 H new ATOM 658 N ILE A 46 -1.045 3.163 -3.631 1.00 0.00 N ATOM 659 CA ILE A 46 -1.107 1.827 -3.052 1.00 0.00 C ATOM 660 C ILE A 46 -1.695 0.825 -4.040 1.00 0.00 C ATOM 661 O ILE A 46 -2.814 0.998 -4.524 1.00 0.00 O ATOM 662 CB ILE A 46 -1.947 1.811 -1.761 1.00 0.00 C ATOM 663 CG1 ILE A 46 -1.373 2.797 -0.741 1.00 0.00 C ATOM 664 CG2 ILE A 46 -1.995 0.407 -1.178 1.00 0.00 C ATOM 665 CD1 ILE A 46 -2.412 3.367 0.199 1.00 0.00 C ATOM 0 H ILE A 46 -1.900 3.458 -4.103 1.00 0.00 H new ATOM 0 HA ILE A 46 -0.083 1.540 -2.813 1.00 0.00 H new ATOM 0 HB ILE A 46 -2.964 2.118 -2.003 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -0.602 2.295 -0.156 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -0.887 3.616 -1.272 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -2.592 0.412 -0.266 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -2.444 -0.273 -1.902 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -0.983 0.074 -0.947 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -1.934 4.057 0.894 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -3.171 3.898 -0.376 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -2.881 2.557 0.757 1.00 0.00 H new ATOM 677 N TYR A 47 -0.934 -0.224 -4.334 1.00 0.00 N ATOM 678 CA TYR A 47 -1.380 -1.254 -5.265 1.00 0.00 C ATOM 679 C TYR A 47 -1.738 -2.539 -4.525 1.00 0.00 C ATOM 680 O TYR A 47 -1.126 -2.876 -3.511 1.00 0.00 O ATOM 681 CB TYR A 47 -0.293 -1.536 -6.303 1.00 0.00 C ATOM 682 CG TYR A 47 0.086 -0.327 -7.128 1.00 0.00 C ATOM 683 CD1 TYR A 47 0.682 0.781 -6.539 1.00 0.00 C ATOM 684 CD2 TYR A 47 -0.151 -0.293 -8.497 1.00 0.00 C ATOM 685 CE1 TYR A 47 1.029 1.889 -7.288 1.00 0.00 C ATOM 686 CE2 TYR A 47 0.194 0.809 -9.254 1.00 0.00 C ATOM 687 CZ TYR A 47 0.783 1.898 -8.646 1.00 0.00 C ATOM 688 OH TYR A 47 1.128 2.998 -9.396 1.00 0.00 O ATOM 0 H TYR A 47 -0.006 -0.383 -3.941 1.00 0.00 H new ATOM 0 HA TYR A 47 -2.273 -0.888 -5.773 1.00 0.00 H new ATOM 0 HB2 TYR A 47 0.595 -1.911 -5.794 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -0.636 -2.327 -6.970 1.00 0.00 H new ATOM 0 HD1 TYR A 47 0.878 0.776 -5.477 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -0.613 -1.143 -8.977 1.00 0.00 H new ATOM 0 HE1 TYR A 47 1.490 2.743 -6.814 1.00 0.00 H new ATOM 0 HE2 TYR A 47 0.004 0.818 -10.317 1.00 0.00 H new ATOM 0 HH TYR A 47 1.115 2.762 -10.347 1.00 0.00 H new ATOM 698 N TYR A 48 -2.734 -3.251 -5.039 1.00 0.00 N ATOM 699 CA TYR A 48 -3.177 -4.499 -4.428 1.00 0.00 C ATOM 700 C TYR A 48 -3.842 -5.405 -5.459 1.00 0.00 C ATOM 701 O TYR A 48 -4.503 -4.931 -6.384 1.00 0.00 O ATOM 702 CB TYR A 48 -4.148 -4.213 -3.282 1.00 0.00 C ATOM 703 CG TYR A 48 -5.234 -3.224 -3.641 1.00 0.00 C ATOM 704 CD1 TYR A 48 -5.032 -1.857 -3.496 1.00 0.00 C ATOM 705 CD2 TYR A 48 -6.462 -3.656 -4.127 1.00 0.00 C ATOM 706 CE1 TYR A 48 -6.022 -0.950 -3.823 1.00 0.00 C ATOM 707 CE2 TYR A 48 -7.457 -2.757 -4.457 1.00 0.00 C ATOM 708 CZ TYR A 48 -7.232 -1.405 -4.303 1.00 0.00 C ATOM 709 OH TYR A 48 -8.220 -0.504 -4.630 1.00 0.00 O ATOM 0 H TYR A 48 -3.250 -2.986 -5.878 1.00 0.00 H new ATOM 0 HA TYR A 48 -2.300 -5.012 -4.033 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -4.610 -5.148 -2.966 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -3.588 -3.831 -2.429 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -4.085 -1.497 -3.121 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -6.642 -4.714 -4.249 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -5.849 0.109 -3.703 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -8.406 -3.110 -4.833 1.00 0.00 H new ATOM 0 HH TYR A 48 -7.845 0.401 -4.647 1.00 0.00 H new ATOM 719 N ARG A 49 -3.663 -6.711 -5.293 1.00 0.00 N ATOM 720 CA ARG A 49 -4.244 -7.685 -6.209 1.00 0.00 C ATOM 721 C ARG A 49 -4.251 -9.079 -5.587 1.00 0.00 C ATOM 722 O ARG A 49 -3.327 -9.473 -4.876 1.00 0.00 O ATOM 723 CB ARG A 49 -3.467 -7.706 -7.526 1.00 0.00 C ATOM 724 CG ARG A 49 -2.077 -8.310 -7.403 1.00 0.00 C ATOM 725 CD ARG A 49 -2.097 -9.810 -7.654 1.00 0.00 C ATOM 726 NE ARG A 49 -1.035 -10.500 -6.927 1.00 0.00 N ATOM 727 CZ ARG A 49 -0.533 -11.673 -7.298 1.00 0.00 C ATOM 728 NH1 ARG A 49 -0.994 -12.282 -8.382 1.00 0.00 N ATOM 729 NH2 ARG A 49 0.432 -12.238 -6.585 1.00 0.00 N ATOM 0 H ARG A 49 -3.120 -7.119 -4.532 1.00 0.00 H new ATOM 0 HA ARG A 49 -5.274 -7.389 -6.408 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -4.036 -8.271 -8.265 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -3.379 -6.687 -7.903 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -1.406 -7.830 -8.115 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -1.680 -8.112 -6.407 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -3.064 -10.215 -7.355 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -1.989 -10.001 -8.722 1.00 0.00 H new ATOM 0 HE ARG A 49 -0.658 -10.057 -6.089 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -1.736 -11.850 -8.933 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -0.607 -13.182 -8.665 1.00 0.00 H new ATOM 0 HH21 ARG A 49 0.789 -11.772 -5.751 1.00 0.00 H new ATOM 0 HH22 ARG A 49 0.817 -13.138 -6.871 1.00 0.00 H new ATOM 743 N PRO A 50 -5.319 -9.844 -5.861 1.00 0.00 N ATOM 744 CA PRO A 50 -5.472 -11.205 -5.339 1.00 0.00 C ATOM 745 C PRO A 50 -4.487 -12.182 -5.971 1.00 0.00 C ATOM 746 O PRO A 50 -4.173 -12.085 -7.158 1.00 0.00 O ATOM 747 CB PRO A 50 -6.908 -11.571 -5.721 1.00 0.00 C ATOM 748 CG PRO A 50 -7.214 -10.722 -6.906 1.00 0.00 C ATOM 749 CD PRO A 50 -6.458 -9.439 -6.702 1.00 0.00 C ATOM 0 HA PRO A 50 -5.275 -11.256 -4.268 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -6.996 -12.631 -5.960 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -7.599 -11.371 -4.902 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -6.906 -11.214 -7.829 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -8.285 -10.535 -6.986 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -6.127 -9.013 -7.649 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -7.072 -8.685 -6.210 1.00 0.00 H new ATOM 757 N THR A 51 -4.001 -13.126 -5.171 1.00 0.00 N ATOM 758 CA THR A 51 -3.051 -14.122 -5.651 1.00 0.00 C ATOM 759 C THR A 51 -3.546 -14.779 -6.935 1.00 0.00 C ATOM 760 O THR A 51 -2.760 -15.339 -7.700 1.00 0.00 O ATOM 761 CB THR A 51 -2.798 -15.213 -4.594 1.00 0.00 C ATOM 762 OG1 THR A 51 -1.483 -15.756 -4.757 1.00 0.00 O ATOM 763 CG2 THR A 51 -3.829 -16.325 -4.707 1.00 0.00 C ATOM 0 H THR A 51 -4.250 -13.222 -4.187 1.00 0.00 H new ATOM 0 HA THR A 51 -2.117 -13.597 -5.851 1.00 0.00 H new ATOM 0 HB THR A 51 -2.884 -14.759 -3.607 1.00 0.00 H new ATOM 0 HG1 THR A 51 -1.329 -16.448 -4.080 1.00 0.00 H new ATOM 0 HG21 THR A 51 -3.630 -17.084 -3.950 1.00 0.00 H new ATOM 0 HG22 THR A 51 -4.827 -15.913 -4.554 1.00 0.00 H new ATOM 0 HG23 THR A 51 -3.771 -16.776 -5.698 1.00 0.00 H new ATOM 771 N ASP A 52 -4.852 -14.706 -7.166 1.00 0.00 N ATOM 772 CA ASP A 52 -5.451 -15.293 -8.359 1.00 0.00 C ATOM 773 C ASP A 52 -5.174 -14.431 -9.586 1.00 0.00 C ATOM 774 O ASP A 52 -5.038 -14.942 -10.698 1.00 0.00 O ATOM 775 CB ASP A 52 -6.960 -15.460 -8.168 1.00 0.00 C ATOM 776 CG ASP A 52 -7.721 -15.375 -9.476 1.00 0.00 C ATOM 777 OD1 ASP A 52 -7.777 -14.272 -10.060 1.00 0.00 O ATOM 778 OD2 ASP A 52 -8.261 -16.411 -9.917 1.00 0.00 O ATOM 0 H ASP A 52 -5.516 -14.246 -6.543 1.00 0.00 H new ATOM 0 HA ASP A 52 -5.001 -16.273 -8.517 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -7.159 -16.422 -7.697 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -7.325 -14.690 -7.488 1.00 0.00 H new ATOM 783 N SER A 53 -5.091 -13.121 -9.377 1.00 0.00 N ATOM 784 CA SER A 53 -4.835 -12.188 -10.468 1.00 0.00 C ATOM 785 C SER A 53 -3.898 -12.804 -11.502 1.00 0.00 C ATOM 786 O SER A 53 -3.063 -13.648 -11.174 1.00 0.00 O ATOM 787 CB SER A 53 -4.231 -10.890 -9.925 1.00 0.00 C ATOM 788 OG SER A 53 -5.244 -9.999 -9.492 1.00 0.00 O ATOM 0 H SER A 53 -5.197 -12.682 -8.463 1.00 0.00 H new ATOM 0 HA SER A 53 -5.785 -11.964 -10.953 1.00 0.00 H new ATOM 0 HB2 SER A 53 -3.562 -11.116 -9.095 1.00 0.00 H new ATOM 0 HB3 SER A 53 -3.629 -10.413 -10.699 1.00 0.00 H new ATOM 0 HG SER A 53 -6.124 -10.381 -9.694 1.00 0.00 H new ATOM 794 N ASP A 54 -4.043 -12.377 -12.751 1.00 0.00 N ATOM 795 CA ASP A 54 -3.210 -12.885 -13.835 1.00 0.00 C ATOM 796 C ASP A 54 -1.877 -12.145 -13.888 1.00 0.00 C ATOM 797 O ASP A 54 -0.827 -12.717 -13.599 1.00 0.00 O ATOM 798 CB ASP A 54 -3.937 -12.749 -15.173 1.00 0.00 C ATOM 799 CG ASP A 54 -3.538 -13.826 -16.162 1.00 0.00 C ATOM 800 OD1 ASP A 54 -2.322 -14.068 -16.316 1.00 0.00 O ATOM 801 OD2 ASP A 54 -4.440 -14.428 -16.782 1.00 0.00 O ATOM 0 H ASP A 54 -4.730 -11.680 -13.038 1.00 0.00 H new ATOM 0 HA ASP A 54 -3.012 -13.940 -13.644 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -5.013 -12.795 -15.005 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -3.723 -11.770 -15.601 1.00 0.00 H new ATOM 806 N ASN A 55 -1.928 -10.871 -14.262 1.00 0.00 N ATOM 807 CA ASN A 55 -0.724 -10.053 -14.355 1.00 0.00 C ATOM 808 C ASN A 55 -0.926 -8.707 -13.665 1.00 0.00 C ATOM 809 O ASN A 55 -1.986 -8.442 -13.097 1.00 0.00 O ATOM 810 CB ASN A 55 -0.343 -9.835 -15.821 1.00 0.00 C ATOM 811 CG ASN A 55 -1.315 -8.921 -16.542 1.00 0.00 C ATOM 812 OD1 ASN A 55 -0.969 -7.801 -16.917 1.00 0.00 O ATOM 813 ND2 ASN A 55 -2.539 -9.397 -16.737 1.00 0.00 N ATOM 0 H ASN A 55 -2.790 -10.383 -14.506 1.00 0.00 H new ATOM 0 HA ASN A 55 0.085 -10.582 -13.851 1.00 0.00 H new ATOM 0 HB2 ASN A 55 0.659 -9.409 -15.874 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -0.307 -10.798 -16.331 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -3.237 -8.828 -17.215 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -2.781 -10.332 -16.409 1.00 0.00 H new ATOM 820 N ASP A 56 0.097 -7.862 -13.719 1.00 0.00 N ATOM 821 CA ASP A 56 0.032 -6.542 -13.102 1.00 0.00 C ATOM 822 C ASP A 56 -1.238 -5.808 -13.520 1.00 0.00 C ATOM 823 O ASP A 56 -1.722 -4.928 -12.808 1.00 0.00 O ATOM 824 CB ASP A 56 1.262 -5.717 -13.481 1.00 0.00 C ATOM 825 CG ASP A 56 1.614 -5.845 -14.950 1.00 0.00 C ATOM 826 OD1 ASP A 56 2.325 -6.807 -15.309 1.00 0.00 O ATOM 827 OD2 ASP A 56 1.179 -4.983 -15.742 1.00 0.00 O ATOM 0 H ASP A 56 0.982 -8.067 -14.184 1.00 0.00 H new ATOM 0 HA ASP A 56 0.013 -6.675 -12.020 1.00 0.00 H new ATOM 0 HB2 ASP A 56 1.080 -4.669 -13.244 1.00 0.00 H new ATOM 0 HB3 ASP A 56 2.111 -6.038 -12.877 1.00 0.00 H new ATOM 832 N SER A 57 -1.772 -6.175 -14.681 1.00 0.00 N ATOM 833 CA SER A 57 -2.983 -5.548 -15.197 1.00 0.00 C ATOM 834 C SER A 57 -4.049 -5.448 -14.110 1.00 0.00 C ATOM 835 O SER A 57 -4.893 -4.552 -14.134 1.00 0.00 O ATOM 836 CB SER A 57 -3.526 -6.341 -16.387 1.00 0.00 C ATOM 837 OG SER A 57 -4.731 -5.774 -16.871 1.00 0.00 O ATOM 0 H SER A 57 -1.385 -6.903 -15.282 1.00 0.00 H new ATOM 0 HA SER A 57 -2.728 -4.541 -15.526 1.00 0.00 H new ATOM 0 HB2 SER A 57 -2.783 -6.360 -17.185 1.00 0.00 H new ATOM 0 HB3 SER A 57 -3.701 -7.375 -16.090 1.00 0.00 H new ATOM 0 HG SER A 57 -5.057 -6.298 -17.632 1.00 0.00 H new ATOM 843 N ASP A 58 -4.003 -6.373 -13.158 1.00 0.00 N ATOM 844 CA ASP A 58 -4.963 -6.390 -12.060 1.00 0.00 C ATOM 845 C ASP A 58 -4.595 -5.356 -11.001 1.00 0.00 C ATOM 846 O ASP A 58 -5.435 -4.560 -10.578 1.00 0.00 O ATOM 847 CB ASP A 58 -5.026 -7.783 -11.431 1.00 0.00 C ATOM 848 CG ASP A 58 -5.933 -8.724 -12.199 1.00 0.00 C ATOM 849 OD1 ASP A 58 -7.162 -8.672 -11.983 1.00 0.00 O ATOM 850 OD2 ASP A 58 -5.413 -9.513 -13.015 1.00 0.00 O ATOM 0 H ASP A 58 -3.311 -7.121 -13.124 1.00 0.00 H new ATOM 0 HA ASP A 58 -5.944 -6.137 -12.463 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -4.022 -8.205 -11.388 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -5.380 -7.699 -10.404 1.00 0.00 H new ATOM 855 N TYR A 59 -3.337 -5.373 -10.576 1.00 0.00 N ATOM 856 CA TYR A 59 -2.859 -4.439 -9.564 1.00 0.00 C ATOM 857 C TYR A 59 -3.523 -3.075 -9.725 1.00 0.00 C ATOM 858 O TYR A 59 -3.400 -2.429 -10.766 1.00 0.00 O ATOM 859 CB TYR A 59 -1.339 -4.292 -9.652 1.00 0.00 C ATOM 860 CG TYR A 59 -0.585 -5.261 -8.769 1.00 0.00 C ATOM 861 CD1 TYR A 59 -0.921 -5.416 -7.430 1.00 0.00 C ATOM 862 CD2 TYR A 59 0.462 -6.021 -9.274 1.00 0.00 C ATOM 863 CE1 TYR A 59 -0.234 -6.299 -6.619 1.00 0.00 C ATOM 864 CE2 TYR A 59 1.153 -6.908 -8.471 1.00 0.00 C ATOM 865 CZ TYR A 59 0.801 -7.043 -7.145 1.00 0.00 C ATOM 866 OH TYR A 59 1.488 -7.924 -6.341 1.00 0.00 O ATOM 0 H TYR A 59 -2.629 -6.024 -10.917 1.00 0.00 H new ATOM 0 HA TYR A 59 -3.122 -4.838 -8.585 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -1.027 -4.438 -10.686 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -1.064 -3.274 -9.377 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -1.733 -4.837 -7.016 1.00 0.00 H new ATOM 0 HD2 TYR A 59 0.741 -5.917 -10.312 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -0.506 -6.406 -5.579 1.00 0.00 H new ATOM 0 HE2 TYR A 59 1.964 -7.492 -8.880 1.00 0.00 H new ATOM 0 HH TYR A 59 2.186 -8.370 -6.866 1.00 0.00 H new ATOM 876 N LYS A 60 -4.228 -2.641 -8.685 1.00 0.00 N ATOM 877 CA LYS A 60 -4.911 -1.353 -8.707 1.00 0.00 C ATOM 878 C LYS A 60 -4.011 -0.250 -8.158 1.00 0.00 C ATOM 879 O LYS A 60 -2.840 -0.483 -7.854 1.00 0.00 O ATOM 880 CB LYS A 60 -6.203 -1.424 -7.891 1.00 0.00 C ATOM 881 CG LYS A 60 -7.302 -2.232 -8.560 1.00 0.00 C ATOM 882 CD LYS A 60 -8.218 -2.882 -7.537 1.00 0.00 C ATOM 883 CE LYS A 60 -7.711 -4.256 -7.128 1.00 0.00 C ATOM 884 NZ LYS A 60 -8.695 -4.980 -6.276 1.00 0.00 N ATOM 0 H LYS A 60 -4.341 -3.163 -7.816 1.00 0.00 H new ATOM 0 HA LYS A 60 -5.155 -1.117 -9.743 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -5.984 -1.861 -6.917 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -6.566 -0.412 -7.712 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -7.886 -1.583 -9.212 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -6.857 -3.001 -9.191 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -8.293 -2.244 -6.657 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -9.222 -2.972 -7.951 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -7.500 -4.846 -8.020 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -6.771 -4.150 -6.587 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -8.542 -6.005 -6.363 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -8.571 -4.694 -5.284 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -9.660 -4.747 -6.586 1.00 0.00 H new ATOM 898 N LYS A 61 -4.564 0.951 -8.033 1.00 0.00 N ATOM 899 CA LYS A 61 -3.813 2.090 -7.518 1.00 0.00 C ATOM 900 C LYS A 61 -4.699 2.981 -6.654 1.00 0.00 C ATOM 901 O LYS A 61 -5.739 3.463 -7.105 1.00 0.00 O ATOM 902 CB LYS A 61 -3.226 2.904 -8.673 1.00 0.00 C ATOM 903 CG LYS A 61 -2.187 3.922 -8.234 1.00 0.00 C ATOM 904 CD LYS A 61 -1.485 4.551 -9.425 1.00 0.00 C ATOM 905 CE LYS A 61 -2.455 5.342 -10.290 1.00 0.00 C ATOM 906 NZ LYS A 61 -1.759 6.046 -11.403 1.00 0.00 N ATOM 0 H LYS A 61 -5.531 1.161 -8.281 1.00 0.00 H new ATOM 0 HA LYS A 61 -3.000 1.708 -6.900 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -2.773 2.223 -9.393 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -4.034 3.422 -9.189 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -2.667 4.700 -7.641 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -1.452 3.439 -7.591 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -0.689 5.208 -9.074 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -1.014 3.772 -10.024 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -3.208 4.669 -10.700 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -2.981 6.070 -9.673 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -2.454 6.573 -11.969 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -1.058 6.707 -11.011 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -1.278 5.350 -12.007 1.00 0.00 H new ATOM 920 N ASP A 62 -4.281 3.196 -5.411 1.00 0.00 N ATOM 921 CA ASP A 62 -5.037 4.032 -4.485 1.00 0.00 C ATOM 922 C ASP A 62 -4.198 5.215 -4.013 1.00 0.00 C ATOM 923 O ASP A 62 -3.188 5.040 -3.332 1.00 0.00 O ATOM 924 CB ASP A 62 -5.499 3.207 -3.282 1.00 0.00 C ATOM 925 CG ASP A 62 -6.859 2.574 -3.504 1.00 0.00 C ATOM 926 OD1 ASP A 62 -7.193 2.279 -4.670 1.00 0.00 O ATOM 927 OD2 ASP A 62 -7.589 2.374 -2.510 1.00 0.00 O ATOM 0 H ASP A 62 -3.424 2.803 -5.022 1.00 0.00 H new ATOM 0 HA ASP A 62 -5.911 4.416 -5.011 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -4.767 2.426 -3.078 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -5.538 3.846 -2.400 1.00 0.00 H new ATOM 932 N MET A 63 -4.623 6.420 -4.381 1.00 0.00 N ATOM 933 CA MET A 63 -3.911 7.632 -3.995 1.00 0.00 C ATOM 934 C MET A 63 -4.202 7.994 -2.542 1.00 0.00 C ATOM 935 O MET A 63 -5.319 7.812 -2.058 1.00 0.00 O ATOM 936 CB MET A 63 -4.304 8.793 -4.910 1.00 0.00 C ATOM 937 CG MET A 63 -3.273 9.910 -4.952 1.00 0.00 C ATOM 938 SD MET A 63 -4.006 11.519 -5.303 1.00 0.00 S ATOM 939 CE MET A 63 -4.167 12.186 -3.649 1.00 0.00 C ATOM 0 H MET A 63 -5.457 6.582 -4.946 1.00 0.00 H new ATOM 0 HA MET A 63 -2.842 7.444 -4.097 1.00 0.00 H new ATOM 0 HB2 MET A 63 -4.457 8.413 -5.920 1.00 0.00 H new ATOM 0 HB3 MET A 63 -5.257 9.202 -4.575 1.00 0.00 H new ATOM 0 HG2 MET A 63 -2.751 9.954 -3.996 1.00 0.00 H new ATOM 0 HG3 MET A 63 -2.526 9.682 -5.713 1.00 0.00 H new ATOM 0 HE1 MET A 63 -4.607 13.182 -3.700 1.00 0.00 H new ATOM 0 HE2 MET A 63 -4.809 11.535 -3.055 1.00 0.00 H new ATOM 0 HE3 MET A 63 -3.183 12.248 -3.184 1.00 0.00 H new ATOM 949 N VAL A 64 -3.189 8.507 -1.850 1.00 0.00 N ATOM 950 CA VAL A 64 -3.336 8.896 -0.453 1.00 0.00 C ATOM 951 C VAL A 64 -2.571 10.180 -0.155 1.00 0.00 C ATOM 952 O VAL A 64 -1.500 10.419 -0.712 1.00 0.00 O ATOM 953 CB VAL A 64 -2.842 7.785 0.494 1.00 0.00 C ATOM 954 CG1 VAL A 64 -3.299 8.055 1.919 1.00 0.00 C ATOM 955 CG2 VAL A 64 -3.327 6.425 0.017 1.00 0.00 C ATOM 0 H VAL A 64 -2.257 8.663 -2.235 1.00 0.00 H new ATOM 0 HA VAL A 64 -4.399 9.063 -0.282 1.00 0.00 H new ATOM 0 HB VAL A 64 -1.752 7.780 0.484 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -2.941 7.260 2.573 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -2.896 9.010 2.255 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -4.388 8.088 1.952 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -2.969 5.652 0.697 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -4.417 6.414 -0.004 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -2.943 6.233 -0.985 1.00 0.00 H new ATOM 965 N GLU A 65 -3.128 11.004 0.727 1.00 0.00 N ATOM 966 CA GLU A 65 -2.497 12.265 1.098 1.00 0.00 C ATOM 967 C GLU A 65 -1.003 12.074 1.345 1.00 0.00 C ATOM 968 O GLU A 65 -0.566 11.008 1.776 1.00 0.00 O ATOM 969 CB GLU A 65 -3.162 12.845 2.348 1.00 0.00 C ATOM 970 CG GLU A 65 -4.676 12.933 2.247 1.00 0.00 C ATOM 971 CD GLU A 65 -5.135 13.724 1.038 1.00 0.00 C ATOM 972 OE1 GLU A 65 -4.859 14.941 0.987 1.00 0.00 O ATOM 973 OE2 GLU A 65 -5.771 13.127 0.144 1.00 0.00 O ATOM 0 H GLU A 65 -4.014 10.821 1.198 1.00 0.00 H new ATOM 0 HA GLU A 65 -2.624 12.963 0.270 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -2.899 12.229 3.208 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -2.760 13.841 2.534 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -5.092 11.927 2.197 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -5.070 13.397 3.151 1.00 0.00 H new ATOM 980 N GLY A 66 -0.225 13.116 1.068 1.00 0.00 N ATOM 981 CA GLY A 66 1.210 13.043 1.265 1.00 0.00 C ATOM 982 C GLY A 66 1.599 13.114 2.729 1.00 0.00 C ATOM 983 O GLY A 66 2.711 12.741 3.102 1.00 0.00 O ATOM 0 H GLY A 66 -0.564 14.009 0.711 1.00 0.00 H new ATOM 0 HA2 GLY A 66 1.585 12.113 0.837 1.00 0.00 H new ATOM 0 HA3 GLY A 66 1.690 13.859 0.725 1.00 0.00 H new ATOM 987 N ASP A 67 0.681 13.594 3.560 1.00 0.00 N ATOM 988 CA ASP A 67 0.933 13.713 4.992 1.00 0.00 C ATOM 989 C ASP A 67 0.332 12.534 5.749 1.00 0.00 C ATOM 990 O ASP A 67 0.558 12.373 6.949 1.00 0.00 O ATOM 991 CB ASP A 67 0.356 15.025 5.525 1.00 0.00 C ATOM 992 CG ASP A 67 1.087 15.520 6.758 1.00 0.00 C ATOM 993 OD1 ASP A 67 2.221 16.022 6.614 1.00 0.00 O ATOM 994 OD2 ASP A 67 0.524 15.407 7.867 1.00 0.00 O ATOM 0 H ASP A 67 -0.245 13.907 3.267 1.00 0.00 H new ATOM 0 HA ASP A 67 2.012 13.709 5.148 1.00 0.00 H new ATOM 0 HB2 ASP A 67 0.408 15.785 4.745 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -0.698 14.885 5.763 1.00 0.00 H new ATOM 999 N ARG A 68 -0.436 11.711 5.041 1.00 0.00 N ATOM 1000 CA ARG A 68 -1.071 10.548 5.648 1.00 0.00 C ATOM 1001 C ARG A 68 -0.199 9.306 5.487 1.00 0.00 C ATOM 1002 O ARG A 68 0.154 8.924 4.371 1.00 0.00 O ATOM 1003 CB ARG A 68 -2.444 10.304 5.018 1.00 0.00 C ATOM 1004 CG ARG A 68 -3.317 9.346 5.812 1.00 0.00 C ATOM 1005 CD ARG A 68 -4.793 9.668 5.646 1.00 0.00 C ATOM 1006 NE ARG A 68 -5.631 8.477 5.763 1.00 0.00 N ATOM 1007 CZ ARG A 68 -6.870 8.401 5.291 1.00 0.00 C ATOM 1008 NH1 ARG A 68 -7.413 9.441 4.674 1.00 0.00 N ATOM 1009 NH2 ARG A 68 -7.569 7.282 5.437 1.00 0.00 N ATOM 0 H ARG A 68 -0.633 11.829 4.047 1.00 0.00 H new ATOM 0 HA ARG A 68 -1.196 10.748 6.712 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -2.963 11.257 4.918 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -2.307 9.908 4.012 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -3.128 8.324 5.485 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -3.049 9.398 6.867 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -5.092 10.397 6.400 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -4.956 10.131 4.673 1.00 0.00 H new ATOM 0 HE ARG A 68 -5.243 7.659 6.233 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -6.879 10.303 4.561 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -8.365 9.380 4.313 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -7.155 6.480 5.912 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -8.521 7.224 5.074 1.00 0.00 H new ATOM 1023 N TYR A 69 0.145 8.682 6.608 1.00 0.00 N ATOM 1024 CA TYR A 69 0.978 7.486 6.591 1.00 0.00 C ATOM 1025 C TYR A 69 0.154 6.243 6.914 1.00 0.00 C ATOM 1026 O TYR A 69 0.692 5.223 7.345 1.00 0.00 O ATOM 1027 CB TYR A 69 2.126 7.625 7.593 1.00 0.00 C ATOM 1028 CG TYR A 69 3.299 8.419 7.064 1.00 0.00 C ATOM 1029 CD1 TYR A 69 3.110 9.450 6.152 1.00 0.00 C ATOM 1030 CD2 TYR A 69 4.596 8.138 7.477 1.00 0.00 C ATOM 1031 CE1 TYR A 69 4.179 10.178 5.666 1.00 0.00 C ATOM 1032 CE2 TYR A 69 5.670 8.861 6.997 1.00 0.00 C ATOM 1033 CZ TYR A 69 5.457 9.880 6.091 1.00 0.00 C ATOM 1034 OH TYR A 69 6.524 10.603 5.610 1.00 0.00 O ATOM 0 H TYR A 69 -0.140 8.985 7.539 1.00 0.00 H new ATOM 0 HA TYR A 69 1.391 7.375 5.588 1.00 0.00 H new ATOM 0 HB2 TYR A 69 1.752 8.105 8.497 1.00 0.00 H new ATOM 0 HB3 TYR A 69 2.470 6.631 7.879 1.00 0.00 H new ATOM 0 HD1 TYR A 69 2.111 9.686 5.817 1.00 0.00 H new ATOM 0 HD2 TYR A 69 4.767 7.341 8.185 1.00 0.00 H new ATOM 0 HE1 TYR A 69 4.015 10.976 4.957 1.00 0.00 H new ATOM 0 HE2 TYR A 69 6.672 8.630 7.329 1.00 0.00 H new ATOM 0 HH TYR A 69 6.985 11.041 6.356 1.00 0.00 H new ATOM 1044 N TRP A 70 -1.153 6.337 6.702 1.00 0.00 N ATOM 1045 CA TRP A 70 -2.053 5.221 6.969 1.00 0.00 C ATOM 1046 C TRP A 70 -3.163 5.155 5.926 1.00 0.00 C ATOM 1047 O TRP A 70 -3.608 6.182 5.412 1.00 0.00 O ATOM 1048 CB TRP A 70 -2.658 5.351 8.368 1.00 0.00 C ATOM 1049 CG TRP A 70 -3.716 6.407 8.462 1.00 0.00 C ATOM 1050 CD1 TRP A 70 -3.527 7.760 8.463 1.00 0.00 C ATOM 1051 CD2 TRP A 70 -5.129 6.198 8.571 1.00 0.00 C ATOM 1052 NE1 TRP A 70 -4.736 8.404 8.566 1.00 0.00 N ATOM 1053 CE2 TRP A 70 -5.734 7.468 8.633 1.00 0.00 C ATOM 1054 CE3 TRP A 70 -5.940 5.062 8.620 1.00 0.00 C ATOM 1055 CZ2 TRP A 70 -7.113 7.630 8.743 1.00 0.00 C ATOM 1056 CZ3 TRP A 70 -7.308 5.224 8.729 1.00 0.00 C ATOM 1057 CH2 TRP A 70 -7.884 6.501 8.789 1.00 0.00 C ATOM 0 H TRP A 70 -1.614 7.174 6.346 1.00 0.00 H new ATOM 0 HA TRP A 70 -1.474 4.299 6.915 1.00 0.00 H new ATOM 0 HB2 TRP A 70 -3.085 4.392 8.662 1.00 0.00 H new ATOM 0 HB3 TRP A 70 -1.864 5.578 9.080 1.00 0.00 H new ATOM 0 HD1 TRP A 70 -2.568 8.251 8.393 1.00 0.00 H new ATOM 0 HE1 TRP A 70 -4.869 9.415 8.589 1.00 0.00 H new ATOM 0 HE3 TRP A 70 -5.506 4.074 8.574 1.00 0.00 H new ATOM 0 HZ2 TRP A 70 -7.558 8.613 8.790 1.00 0.00 H new ATOM 0 HZ3 TRP A 70 -7.944 4.352 8.769 1.00 0.00 H new ATOM 0 HH2 TRP A 70 -8.957 6.595 8.873 1.00 0.00 H new ATOM 1068 N HIS A 71 -3.608 3.941 5.617 1.00 0.00 N ATOM 1069 CA HIS A 71 -4.668 3.742 4.635 1.00 0.00 C ATOM 1070 C HIS A 71 -5.364 2.402 4.851 1.00 0.00 C ATOM 1071 O HIS A 71 -4.712 1.364 4.968 1.00 0.00 O ATOM 1072 CB HIS A 71 -4.099 3.812 3.218 1.00 0.00 C ATOM 1073 CG HIS A 71 -5.140 3.688 2.148 1.00 0.00 C ATOM 1074 ND1 HIS A 71 -6.128 4.629 1.946 1.00 0.00 N ATOM 1075 CD2 HIS A 71 -5.342 2.727 1.217 1.00 0.00 C ATOM 1076 CE1 HIS A 71 -6.893 4.250 0.938 1.00 0.00 C ATOM 1077 NE2 HIS A 71 -6.437 3.099 0.478 1.00 0.00 N ATOM 0 H HIS A 71 -3.251 3.081 6.032 1.00 0.00 H new ATOM 0 HA HIS A 71 -5.402 4.537 4.763 1.00 0.00 H new ATOM 0 HB2 HIS A 71 -3.572 4.758 3.093 1.00 0.00 H new ATOM 0 HB3 HIS A 71 -3.363 3.018 3.091 1.00 0.00 H new ATOM 0 HD2 HIS A 71 -4.751 1.833 1.081 1.00 0.00 H new ATOM 0 HE1 HIS A 71 -7.746 4.790 0.555 1.00 0.00 H new ATOM 0 HE2 HIS A 71 -6.834 2.572 -0.300 1.00 0.00 H new ATOM 1086 N SER A 72 -6.692 2.431 4.904 1.00 0.00 N ATOM 1087 CA SER A 72 -7.476 1.219 5.110 1.00 0.00 C ATOM 1088 C SER A 72 -8.144 0.777 3.812 1.00 0.00 C ATOM 1089 O SER A 72 -9.165 1.334 3.406 1.00 0.00 O ATOM 1090 CB SER A 72 -8.535 1.449 6.190 1.00 0.00 C ATOM 1091 OG SER A 72 -9.496 2.402 5.767 1.00 0.00 O ATOM 0 H SER A 72 -7.247 3.281 4.807 1.00 0.00 H new ATOM 0 HA SER A 72 -6.800 0.429 5.437 1.00 0.00 H new ATOM 0 HB2 SER A 72 -9.031 0.507 6.424 1.00 0.00 H new ATOM 0 HB3 SER A 72 -8.056 1.793 7.106 1.00 0.00 H new ATOM 0 HG SER A 72 -9.668 2.290 4.809 1.00 0.00 H new ATOM 1097 N ILE A 73 -7.562 -0.227 3.166 1.00 0.00 N ATOM 1098 CA ILE A 73 -8.101 -0.746 1.915 1.00 0.00 C ATOM 1099 C ILE A 73 -9.421 -1.473 2.145 1.00 0.00 C ATOM 1100 O ILE A 73 -9.627 -2.094 3.187 1.00 0.00 O ATOM 1101 CB ILE A 73 -7.111 -1.707 1.231 1.00 0.00 C ATOM 1102 CG1 ILE A 73 -5.721 -1.071 1.150 1.00 0.00 C ATOM 1103 CG2 ILE A 73 -7.609 -2.081 -0.157 1.00 0.00 C ATOM 1104 CD1 ILE A 73 -4.618 -2.064 0.859 1.00 0.00 C ATOM 0 H ILE A 73 -6.717 -0.698 3.488 1.00 0.00 H new ATOM 0 HA ILE A 73 -8.270 0.112 1.264 1.00 0.00 H new ATOM 0 HB ILE A 73 -7.040 -2.616 1.828 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -5.725 -0.307 0.373 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -5.506 -0.567 2.092 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -6.899 -2.761 -0.628 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -8.580 -2.570 -0.076 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -7.706 -1.181 -0.764 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -3.662 -1.543 0.816 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -4.587 -2.815 1.648 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -4.810 -2.551 -0.097 1.00 0.00 H new ATOM 1116 N SER A 74 -10.314 -1.391 1.163 1.00 0.00 N ATOM 1117 CA SER A 74 -11.616 -2.040 1.258 1.00 0.00 C ATOM 1118 C SER A 74 -11.976 -2.732 -0.053 1.00 0.00 C ATOM 1119 O SER A 74 -11.215 -2.689 -1.020 1.00 0.00 O ATOM 1120 CB SER A 74 -12.694 -1.016 1.619 1.00 0.00 C ATOM 1121 OG SER A 74 -12.238 -0.128 2.625 1.00 0.00 O ATOM 0 H SER A 74 -10.159 -0.882 0.293 1.00 0.00 H new ATOM 0 HA SER A 74 -11.562 -2.794 2.043 1.00 0.00 H new ATOM 0 HB2 SER A 74 -12.975 -0.450 0.731 1.00 0.00 H new ATOM 0 HB3 SER A 74 -13.590 -1.533 1.964 1.00 0.00 H new ATOM 0 HG SER A 74 -12.945 0.517 2.837 1.00 0.00 H new ATOM 1127 N HIS A 75 -13.141 -3.372 -0.077 1.00 0.00 N ATOM 1128 CA HIS A 75 -13.603 -4.074 -1.269 1.00 0.00 C ATOM 1129 C HIS A 75 -12.621 -5.171 -1.668 1.00 0.00 C ATOM 1130 O HIS A 75 -12.198 -5.251 -2.822 1.00 0.00 O ATOM 1131 CB HIS A 75 -13.786 -3.092 -2.427 1.00 0.00 C ATOM 1132 CG HIS A 75 -14.714 -1.960 -2.111 1.00 0.00 C ATOM 1133 ND1 HIS A 75 -14.664 -0.743 -2.757 1.00 0.00 N ATOM 1134 CD2 HIS A 75 -15.722 -1.866 -1.212 1.00 0.00 C ATOM 1135 CE1 HIS A 75 -15.600 0.051 -2.268 1.00 0.00 C ATOM 1136 NE2 HIS A 75 -16.256 -0.606 -1.329 1.00 0.00 N ATOM 0 H HIS A 75 -13.782 -3.419 0.715 1.00 0.00 H new ATOM 0 HA HIS A 75 -14.563 -4.536 -1.039 1.00 0.00 H new ATOM 0 HB2 HIS A 75 -12.813 -2.687 -2.706 1.00 0.00 H new ATOM 0 HB3 HIS A 75 -14.167 -3.632 -3.294 1.00 0.00 H new ATOM 0 HD2 HIS A 75 -16.046 -2.638 -0.530 1.00 0.00 H new ATOM 0 HE1 HIS A 75 -15.795 1.065 -2.583 1.00 0.00 H new ATOM 0 HE2 HIS A 75 -17.033 -0.238 -0.780 1.00 0.00 H new ATOM 1145 N LEU A 76 -12.261 -6.015 -0.707 1.00 0.00 N ATOM 1146 CA LEU A 76 -11.328 -7.108 -0.957 1.00 0.00 C ATOM 1147 C LEU A 76 -12.007 -8.459 -0.760 1.00 0.00 C ATOM 1148 O LEU A 76 -13.211 -8.529 -0.518 1.00 0.00 O ATOM 1149 CB LEU A 76 -10.116 -6.992 -0.030 1.00 0.00 C ATOM 1150 CG LEU A 76 -9.481 -5.605 0.074 1.00 0.00 C ATOM 1151 CD1 LEU A 76 -8.810 -5.427 1.427 1.00 0.00 C ATOM 1152 CD2 LEU A 76 -8.481 -5.390 -1.052 1.00 0.00 C ATOM 0 H LEU A 76 -12.601 -5.963 0.253 1.00 0.00 H new ATOM 0 HA LEU A 76 -10.993 -7.038 -1.992 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -10.416 -7.308 0.969 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -9.355 -7.694 -0.371 1.00 0.00 H new ATOM 0 HG LEU A 76 -10.269 -4.857 -0.020 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -8.363 -4.434 1.484 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -9.552 -5.537 2.218 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -8.033 -6.182 1.550 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -8.039 -4.398 -0.962 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -7.696 -6.144 -0.990 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -8.990 -5.474 -2.012 1.00 0.00 H new ATOM 1164 N GLN A 77 -11.225 -9.529 -0.863 1.00 0.00 N ATOM 1165 CA GLN A 77 -11.751 -10.878 -0.694 1.00 0.00 C ATOM 1166 C GLN A 77 -11.420 -11.422 0.692 1.00 0.00 C ATOM 1167 O GLN A 77 -10.342 -11.187 1.237 1.00 0.00 O ATOM 1168 CB GLN A 77 -11.183 -11.808 -1.768 1.00 0.00 C ATOM 1169 CG GLN A 77 -11.588 -11.422 -3.182 1.00 0.00 C ATOM 1170 CD GLN A 77 -10.833 -12.204 -4.239 1.00 0.00 C ATOM 1171 OE1 GLN A 77 -10.654 -13.417 -4.121 1.00 0.00 O ATOM 1172 NE2 GLN A 77 -10.384 -11.512 -5.280 1.00 0.00 N ATOM 0 H GLN A 77 -10.226 -9.488 -1.063 1.00 0.00 H new ATOM 0 HA GLN A 77 -12.835 -10.833 -0.798 1.00 0.00 H new ATOM 0 HB2 GLN A 77 -10.095 -11.809 -1.698 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -11.516 -12.826 -1.568 1.00 0.00 H new ATOM 0 HG2 GLN A 77 -12.658 -11.588 -3.308 1.00 0.00 H new ATOM 0 HG3 GLN A 77 -11.411 -10.356 -3.328 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -10.555 -10.508 -5.337 1.00 0.00 H new ATOM 0 HE22 GLN A 77 -9.868 -11.985 -6.022 1.00 0.00 H new ATOM 1181 N PRO A 78 -12.370 -12.167 1.278 1.00 0.00 N ATOM 1182 CA PRO A 78 -12.202 -12.759 2.608 1.00 0.00 C ATOM 1183 C PRO A 78 -11.176 -13.887 2.615 1.00 0.00 C ATOM 1184 O PRO A 78 -10.962 -14.550 1.601 1.00 0.00 O ATOM 1185 CB PRO A 78 -13.596 -13.303 2.932 1.00 0.00 C ATOM 1186 CG PRO A 78 -14.226 -13.546 1.604 1.00 0.00 C ATOM 1187 CD PRO A 78 -13.680 -12.488 0.687 1.00 0.00 C ATOM 0 HA PRO A 78 -11.832 -12.034 3.333 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -13.537 -14.221 3.516 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -14.173 -12.589 3.519 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -13.987 -14.543 1.235 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -15.312 -13.483 1.670 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -13.581 -12.854 -0.335 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -14.330 -11.613 0.651 1.00 0.00 H new ATOM 1195 N GLU A 79 -10.544 -14.098 3.766 1.00 0.00 N ATOM 1196 CA GLU A 79 -9.539 -15.146 3.903 1.00 0.00 C ATOM 1197 C GLU A 79 -8.754 -15.320 2.606 1.00 0.00 C ATOM 1198 O GLU A 79 -8.501 -16.442 2.165 1.00 0.00 O ATOM 1199 CB GLU A 79 -10.200 -16.469 4.293 1.00 0.00 C ATOM 1200 CG GLU A 79 -11.595 -16.646 3.717 1.00 0.00 C ATOM 1201 CD GLU A 79 -12.099 -18.071 3.836 1.00 0.00 C ATOM 1202 OE1 GLU A 79 -12.234 -18.558 4.979 1.00 0.00 O ATOM 1203 OE2 GLU A 79 -12.358 -18.699 2.789 1.00 0.00 O ATOM 0 H GLU A 79 -10.710 -13.558 4.615 1.00 0.00 H new ATOM 0 HA GLU A 79 -8.846 -14.849 4.690 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -9.570 -17.293 3.957 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -10.254 -16.532 5.380 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -12.284 -15.977 4.232 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -11.590 -16.353 2.667 1.00 0.00 H new ATOM 1210 N THR A 80 -8.370 -14.202 1.999 1.00 0.00 N ATOM 1211 CA THR A 80 -7.615 -14.229 0.752 1.00 0.00 C ATOM 1212 C THR A 80 -6.194 -13.720 0.959 1.00 0.00 C ATOM 1213 O THR A 80 -5.967 -12.517 1.084 1.00 0.00 O ATOM 1214 CB THR A 80 -8.299 -13.381 -0.337 1.00 0.00 C ATOM 1215 OG1 THR A 80 -9.685 -13.728 -0.430 1.00 0.00 O ATOM 1216 CG2 THR A 80 -7.627 -13.590 -1.686 1.00 0.00 C ATOM 0 H THR A 80 -8.569 -13.266 2.351 1.00 0.00 H new ATOM 0 HA THR A 80 -7.581 -15.268 0.425 1.00 0.00 H new ATOM 0 HB THR A 80 -8.206 -12.331 -0.061 1.00 0.00 H new ATOM 0 HG1 THR A 80 -9.932 -14.295 0.330 1.00 0.00 H new ATOM 0 HG21 THR A 80 -8.127 -12.981 -2.440 1.00 0.00 H new ATOM 0 HG22 THR A 80 -6.579 -13.297 -1.620 1.00 0.00 H new ATOM 0 HG23 THR A 80 -7.693 -14.641 -1.966 1.00 0.00 H new ATOM 1224 N SER A 81 -5.238 -14.644 0.992 1.00 0.00 N ATOM 1225 CA SER A 81 -3.837 -14.288 1.186 1.00 0.00 C ATOM 1226 C SER A 81 -3.224 -13.767 -0.110 1.00 0.00 C ATOM 1227 O SER A 81 -2.905 -14.540 -1.013 1.00 0.00 O ATOM 1228 CB SER A 81 -3.047 -15.498 1.688 1.00 0.00 C ATOM 1229 OG SER A 81 -1.963 -15.095 2.507 1.00 0.00 O ATOM 0 H SER A 81 -5.408 -15.644 0.887 1.00 0.00 H new ATOM 0 HA SER A 81 -3.789 -13.496 1.933 1.00 0.00 H new ATOM 0 HB2 SER A 81 -3.706 -16.159 2.251 1.00 0.00 H new ATOM 0 HB3 SER A 81 -2.672 -16.070 0.839 1.00 0.00 H new ATOM 0 HG SER A 81 -1.475 -15.886 2.817 1.00 0.00 H new ATOM 1235 N TYR A 82 -3.063 -12.451 -0.194 1.00 0.00 N ATOM 1236 CA TYR A 82 -2.491 -11.825 -1.379 1.00 0.00 C ATOM 1237 C TYR A 82 -1.414 -10.814 -0.996 1.00 0.00 C ATOM 1238 O TYR A 82 -1.398 -10.302 0.124 1.00 0.00 O ATOM 1239 CB TYR A 82 -3.585 -11.137 -2.197 1.00 0.00 C ATOM 1240 CG TYR A 82 -4.509 -10.275 -1.367 1.00 0.00 C ATOM 1241 CD1 TYR A 82 -4.071 -9.072 -0.827 1.00 0.00 C ATOM 1242 CD2 TYR A 82 -5.820 -10.664 -1.121 1.00 0.00 C ATOM 1243 CE1 TYR A 82 -4.912 -8.282 -0.067 1.00 0.00 C ATOM 1244 CE2 TYR A 82 -6.669 -9.880 -0.364 1.00 0.00 C ATOM 1245 CZ TYR A 82 -6.210 -8.690 0.161 1.00 0.00 C ATOM 1246 OH TYR A 82 -7.051 -7.906 0.917 1.00 0.00 O ATOM 0 H TYR A 82 -3.321 -11.797 0.545 1.00 0.00 H new ATOM 0 HA TYR A 82 -2.031 -12.606 -1.985 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -3.119 -10.520 -2.965 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -4.174 -11.896 -2.711 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -3.056 -8.749 -1.004 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -6.182 -11.596 -1.529 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -4.555 -7.350 0.346 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -7.686 -10.197 -0.184 1.00 0.00 H new ATOM 0 HH TYR A 82 -7.943 -8.312 0.941 1.00 0.00 H new ATOM 1256 N ASP A 83 -0.517 -10.531 -1.934 1.00 0.00 N ATOM 1257 CA ASP A 83 0.563 -9.580 -1.697 1.00 0.00 C ATOM 1258 C ASP A 83 0.039 -8.148 -1.715 1.00 0.00 C ATOM 1259 O ASP A 83 -0.960 -7.850 -2.371 1.00 0.00 O ATOM 1260 CB ASP A 83 1.660 -9.749 -2.749 1.00 0.00 C ATOM 1261 CG ASP A 83 2.532 -10.962 -2.487 1.00 0.00 C ATOM 1262 OD1 ASP A 83 3.142 -11.030 -1.399 1.00 0.00 O ATOM 1263 OD2 ASP A 83 2.603 -11.842 -3.369 1.00 0.00 O ATOM 0 H ASP A 83 -0.516 -10.946 -2.866 1.00 0.00 H new ATOM 0 HA ASP A 83 0.982 -9.782 -0.711 1.00 0.00 H new ATOM 0 HB2 ASP A 83 1.203 -9.840 -3.735 1.00 0.00 H new ATOM 0 HB3 ASP A 83 2.283 -8.855 -2.767 1.00 0.00 H new ATOM 1268 N ILE A 84 0.719 -7.265 -0.991 1.00 0.00 N ATOM 1269 CA ILE A 84 0.322 -5.864 -0.925 1.00 0.00 C ATOM 1270 C ILE A 84 1.541 -4.949 -0.879 1.00 0.00 C ATOM 1271 O ILE A 84 2.423 -5.113 -0.036 1.00 0.00 O ATOM 1272 CB ILE A 84 -0.561 -5.587 0.306 1.00 0.00 C ATOM 1273 CG1 ILE A 84 -1.816 -6.461 0.268 1.00 0.00 C ATOM 1274 CG2 ILE A 84 -0.937 -4.114 0.368 1.00 0.00 C ATOM 1275 CD1 ILE A 84 -2.449 -6.670 1.626 1.00 0.00 C ATOM 0 H ILE A 84 1.547 -7.495 -0.442 1.00 0.00 H new ATOM 0 HA ILE A 84 -0.252 -5.655 -1.828 1.00 0.00 H new ATOM 0 HB ILE A 84 0.005 -5.836 1.204 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -2.547 -6.003 -0.398 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -1.560 -7.431 -0.158 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -1.561 -3.934 1.243 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -0.032 -3.510 0.437 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -1.488 -3.841 -0.532 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -3.333 -7.299 1.522 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -1.734 -7.156 2.290 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -2.736 -5.706 2.046 1.00 0.00 H new ATOM 1287 N LYS A 85 1.583 -3.983 -1.790 1.00 0.00 N ATOM 1288 CA LYS A 85 2.691 -3.038 -1.853 1.00 0.00 C ATOM 1289 C LYS A 85 2.188 -1.628 -2.147 1.00 0.00 C ATOM 1290 O LYS A 85 1.005 -1.425 -2.418 1.00 0.00 O ATOM 1291 CB LYS A 85 3.694 -3.467 -2.927 1.00 0.00 C ATOM 1292 CG LYS A 85 3.140 -3.397 -4.339 1.00 0.00 C ATOM 1293 CD LYS A 85 4.248 -3.461 -5.377 1.00 0.00 C ATOM 1294 CE LYS A 85 3.764 -4.097 -6.671 1.00 0.00 C ATOM 1295 NZ LYS A 85 3.928 -5.577 -6.656 1.00 0.00 N ATOM 0 H LYS A 85 0.862 -3.834 -2.496 1.00 0.00 H new ATOM 0 HA LYS A 85 3.187 -3.033 -0.882 1.00 0.00 H new ATOM 0 HB2 LYS A 85 4.578 -2.833 -2.861 1.00 0.00 H new ATOM 0 HB3 LYS A 85 4.018 -4.488 -2.723 1.00 0.00 H new ATOM 0 HG2 LYS A 85 2.443 -4.220 -4.498 1.00 0.00 H new ATOM 0 HG3 LYS A 85 2.576 -2.473 -4.464 1.00 0.00 H new ATOM 0 HD2 LYS A 85 4.616 -2.455 -5.580 1.00 0.00 H new ATOM 0 HD3 LYS A 85 5.087 -4.033 -4.981 1.00 0.00 H new ATOM 0 HE2 LYS A 85 2.714 -3.849 -6.827 1.00 0.00 H new ATOM 0 HE3 LYS A 85 4.318 -3.679 -7.511 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 4.680 -5.850 -7.321 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 4.184 -5.888 -5.697 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 3.035 -6.028 -6.940 1.00 0.00 H new ATOM 1309 N MET A 86 3.095 -0.658 -2.093 1.00 0.00 N ATOM 1310 CA MET A 86 2.743 0.732 -2.356 1.00 0.00 C ATOM 1311 C MET A 86 3.934 1.497 -2.924 1.00 0.00 C ATOM 1312 O MET A 86 5.051 0.982 -2.964 1.00 0.00 O ATOM 1313 CB MET A 86 2.252 1.408 -1.074 1.00 0.00 C ATOM 1314 CG MET A 86 3.231 1.298 0.084 1.00 0.00 C ATOM 1315 SD MET A 86 2.817 2.398 1.451 1.00 0.00 S ATOM 1316 CE MET A 86 2.523 3.932 0.573 1.00 0.00 C ATOM 0 H MET A 86 4.079 -0.809 -1.870 1.00 0.00 H new ATOM 0 HA MET A 86 1.941 0.744 -3.094 1.00 0.00 H new ATOM 0 HB2 MET A 86 2.061 2.461 -1.279 1.00 0.00 H new ATOM 0 HB3 MET A 86 1.302 0.963 -0.779 1.00 0.00 H new ATOM 0 HG2 MET A 86 3.248 0.269 0.443 1.00 0.00 H new ATOM 0 HG3 MET A 86 4.235 1.529 -0.271 1.00 0.00 H new ATOM 0 HE1 MET A 86 2.829 4.772 1.196 1.00 0.00 H new ATOM 0 HE2 MET A 86 3.099 3.938 -0.353 1.00 0.00 H new ATOM 0 HE3 MET A 86 1.462 4.021 0.341 1.00 0.00 H new ATOM 1326 N GLN A 87 3.688 2.728 -3.362 1.00 0.00 N ATOM 1327 CA GLN A 87 4.741 3.562 -3.928 1.00 0.00 C ATOM 1328 C GLN A 87 4.372 5.039 -3.840 1.00 0.00 C ATOM 1329 O GLN A 87 3.208 5.409 -3.998 1.00 0.00 O ATOM 1330 CB GLN A 87 4.999 3.174 -5.385 1.00 0.00 C ATOM 1331 CG GLN A 87 5.854 4.180 -6.140 1.00 0.00 C ATOM 1332 CD GLN A 87 5.869 3.928 -7.634 1.00 0.00 C ATOM 1333 OE1 GLN A 87 6.586 3.053 -8.121 1.00 0.00 O ATOM 1334 NE2 GLN A 87 5.076 4.695 -8.373 1.00 0.00 N ATOM 0 H GLN A 87 2.769 3.169 -3.336 1.00 0.00 H new ATOM 0 HA GLN A 87 5.650 3.399 -3.349 1.00 0.00 H new ATOM 0 HB2 GLN A 87 5.489 2.201 -5.412 1.00 0.00 H new ATOM 0 HB3 GLN A 87 4.043 3.064 -5.898 1.00 0.00 H new ATOM 0 HG2 GLN A 87 5.479 5.186 -5.949 1.00 0.00 H new ATOM 0 HG3 GLN A 87 6.874 4.142 -5.759 1.00 0.00 H new ATOM 0 HE21 GLN A 87 4.498 5.408 -7.929 1.00 0.00 H new ATOM 0 HE22 GLN A 87 5.045 4.571 -9.385 1.00 0.00 H new ATOM 1343 N CYS A 88 5.370 5.878 -3.587 1.00 0.00 N ATOM 1344 CA CYS A 88 5.150 7.316 -3.476 1.00 0.00 C ATOM 1345 C CYS A 88 5.466 8.017 -4.794 1.00 0.00 C ATOM 1346 O CYS A 88 6.174 7.476 -5.643 1.00 0.00 O ATOM 1347 CB CYS A 88 6.011 7.900 -2.355 1.00 0.00 C ATOM 1348 SG CYS A 88 7.784 7.902 -2.710 1.00 0.00 S ATOM 0 H CYS A 88 6.339 5.588 -3.455 1.00 0.00 H new ATOM 0 HA CYS A 88 4.099 7.481 -3.240 1.00 0.00 H new ATOM 0 HB2 CYS A 88 5.689 8.923 -2.160 1.00 0.00 H new ATOM 0 HB3 CYS A 88 5.835 7.331 -1.442 1.00 0.00 H new ATOM 0 HG CYS A 88 8.427 8.417 -1.704 1.00 0.00 H new ATOM 1354 N PHE A 89 4.935 9.224 -4.958 1.00 0.00 N ATOM 1355 CA PHE A 89 5.157 9.999 -6.173 1.00 0.00 C ATOM 1356 C PHE A 89 5.085 11.495 -5.885 1.00 0.00 C ATOM 1357 O PHE A 89 4.748 11.909 -4.777 1.00 0.00 O ATOM 1358 CB PHE A 89 4.126 9.623 -7.239 1.00 0.00 C ATOM 1359 CG PHE A 89 2.748 10.149 -6.952 1.00 0.00 C ATOM 1360 CD1 PHE A 89 2.068 9.760 -5.809 1.00 0.00 C ATOM 1361 CD2 PHE A 89 2.134 11.032 -7.826 1.00 0.00 C ATOM 1362 CE1 PHE A 89 0.801 10.243 -5.542 1.00 0.00 C ATOM 1363 CE2 PHE A 89 0.867 11.518 -7.564 1.00 0.00 C ATOM 1364 CZ PHE A 89 0.199 11.122 -6.421 1.00 0.00 C ATOM 0 H PHE A 89 4.348 9.687 -4.264 1.00 0.00 H new ATOM 0 HA PHE A 89 6.155 9.766 -6.545 1.00 0.00 H new ATOM 0 HB2 PHE A 89 4.458 10.004 -8.205 1.00 0.00 H new ATOM 0 HB3 PHE A 89 4.082 8.537 -7.323 1.00 0.00 H new ATOM 0 HD1 PHE A 89 2.533 9.072 -5.119 1.00 0.00 H new ATOM 0 HD2 PHE A 89 2.651 11.344 -8.721 1.00 0.00 H new ATOM 0 HE1 PHE A 89 0.282 9.933 -4.647 1.00 0.00 H new ATOM 0 HE2 PHE A 89 0.399 12.207 -8.252 1.00 0.00 H new ATOM 0 HZ PHE A 89 -0.792 11.499 -6.215 1.00 0.00 H new ATOM 1374 N ASN A 90 5.405 12.302 -6.892 1.00 0.00 N ATOM 1375 CA ASN A 90 5.378 13.753 -6.747 1.00 0.00 C ATOM 1376 C ASN A 90 5.542 14.437 -8.101 1.00 0.00 C ATOM 1377 O ASN A 90 5.965 13.815 -9.074 1.00 0.00 O ATOM 1378 CB ASN A 90 6.483 14.212 -5.794 1.00 0.00 C ATOM 1379 CG ASN A 90 7.788 14.493 -6.513 1.00 0.00 C ATOM 1380 OD1 ASN A 90 8.261 13.678 -7.305 1.00 0.00 O ATOM 1381 ND2 ASN A 90 8.376 15.652 -6.240 1.00 0.00 N ATOM 0 H ASN A 90 5.686 11.976 -7.817 1.00 0.00 H new ATOM 0 HA ASN A 90 4.410 14.034 -6.332 1.00 0.00 H new ATOM 0 HB2 ASN A 90 6.158 15.112 -5.272 1.00 0.00 H new ATOM 0 HB3 ASN A 90 6.647 13.446 -5.036 1.00 0.00 H new ATOM 0 HD21 ASN A 90 9.256 15.897 -6.694 1.00 0.00 H new ATOM 0 HD22 ASN A 90 7.948 16.297 -5.576 1.00 0.00 H new ATOM 1388 N GLU A 91 5.204 15.722 -8.153 1.00 0.00 N ATOM 1389 CA GLU A 91 5.314 16.491 -9.387 1.00 0.00 C ATOM 1390 C GLU A 91 6.636 16.201 -10.092 1.00 0.00 C ATOM 1391 O GLU A 91 6.722 16.250 -11.319 1.00 0.00 O ATOM 1392 CB GLU A 91 5.198 17.988 -9.094 1.00 0.00 C ATOM 1393 CG GLU A 91 6.183 18.482 -8.049 1.00 0.00 C ATOM 1394 CD GLU A 91 6.146 19.988 -7.877 1.00 0.00 C ATOM 1395 OE1 GLU A 91 5.072 20.584 -8.107 1.00 0.00 O ATOM 1396 OE2 GLU A 91 7.188 20.571 -7.513 1.00 0.00 O ATOM 0 H GLU A 91 4.852 16.252 -7.356 1.00 0.00 H new ATOM 0 HA GLU A 91 4.497 16.193 -10.045 1.00 0.00 H new ATOM 0 HB2 GLU A 91 5.353 18.544 -10.019 1.00 0.00 H new ATOM 0 HB3 GLU A 91 4.184 18.206 -8.757 1.00 0.00 H new ATOM 0 HG2 GLU A 91 5.963 18.006 -7.094 1.00 0.00 H new ATOM 0 HG3 GLU A 91 7.190 18.177 -8.332 1.00 0.00 H new ATOM 1403 N GLY A 92 7.666 15.899 -9.307 1.00 0.00 N ATOM 1404 CA GLY A 92 8.970 15.607 -9.873 1.00 0.00 C ATOM 1405 C GLY A 92 9.020 14.247 -10.541 1.00 0.00 C ATOM 1406 O GLY A 92 9.634 14.089 -11.595 1.00 0.00 O ATOM 0 H GLY A 92 7.620 15.851 -8.289 1.00 0.00 H new ATOM 0 HA2 GLY A 92 9.227 16.376 -10.601 1.00 0.00 H new ATOM 0 HA3 GLY A 92 9.722 15.650 -9.086 1.00 0.00 H new ATOM 1410 N GLY A 93 8.375 13.262 -9.924 1.00 0.00 N ATOM 1411 CA GLY A 93 8.363 11.921 -10.479 1.00 0.00 C ATOM 1412 C GLY A 93 8.019 10.868 -9.444 1.00 0.00 C ATOM 1413 O GLY A 93 7.945 11.163 -8.252 1.00 0.00 O ATOM 0 H GLY A 93 7.861 13.369 -9.050 1.00 0.00 H new ATOM 0 HA2 GLY A 93 7.640 11.875 -11.294 1.00 0.00 H new ATOM 0 HA3 GLY A 93 9.341 11.700 -10.907 1.00 0.00 H new ATOM 1417 N GLU A 94 7.807 9.639 -9.902 1.00 0.00 N ATOM 1418 CA GLU A 94 7.466 8.539 -9.006 1.00 0.00 C ATOM 1419 C GLU A 94 8.722 7.925 -8.396 1.00 0.00 C ATOM 1420 O GLU A 94 9.833 8.150 -8.878 1.00 0.00 O ATOM 1421 CB GLU A 94 6.673 7.467 -9.757 1.00 0.00 C ATOM 1422 CG GLU A 94 5.357 7.970 -10.327 1.00 0.00 C ATOM 1423 CD GLU A 94 5.498 8.501 -11.740 1.00 0.00 C ATOM 1424 OE1 GLU A 94 5.467 7.685 -12.685 1.00 0.00 O ATOM 1425 OE2 GLU A 94 5.640 9.731 -11.901 1.00 0.00 O ATOM 0 H GLU A 94 7.865 9.379 -10.887 1.00 0.00 H new ATOM 0 HA GLU A 94 6.850 8.938 -8.200 1.00 0.00 H new ATOM 0 HB2 GLU A 94 7.286 7.077 -10.570 1.00 0.00 H new ATOM 0 HB3 GLU A 94 6.472 6.636 -9.081 1.00 0.00 H new ATOM 0 HG2 GLU A 94 4.628 7.159 -10.319 1.00 0.00 H new ATOM 0 HG3 GLU A 94 4.965 8.758 -9.684 1.00 0.00 H new ATOM 1432 N SER A 95 8.538 7.149 -7.333 1.00 0.00 N ATOM 1433 CA SER A 95 9.657 6.505 -6.653 1.00 0.00 C ATOM 1434 C SER A 95 9.667 5.004 -6.927 1.00 0.00 C ATOM 1435 O SER A 95 8.842 4.495 -7.684 1.00 0.00 O ATOM 1436 CB SER A 95 9.581 6.760 -5.147 1.00 0.00 C ATOM 1437 OG SER A 95 10.726 6.252 -4.485 1.00 0.00 O ATOM 0 H SER A 95 7.625 6.951 -6.924 1.00 0.00 H new ATOM 0 HA SER A 95 10.581 6.934 -7.040 1.00 0.00 H new ATOM 0 HB2 SER A 95 9.494 7.830 -4.960 1.00 0.00 H new ATOM 0 HB3 SER A 95 8.685 6.292 -4.741 1.00 0.00 H new ATOM 0 HG SER A 95 10.511 5.388 -4.076 1.00 0.00 H new ATOM 1443 N GLU A 96 10.608 4.302 -6.304 1.00 0.00 N ATOM 1444 CA GLU A 96 10.727 2.860 -6.480 1.00 0.00 C ATOM 1445 C GLU A 96 9.544 2.134 -5.846 1.00 0.00 C ATOM 1446 O GLU A 96 8.807 2.709 -5.044 1.00 0.00 O ATOM 1447 CB GLU A 96 12.036 2.355 -5.869 1.00 0.00 C ATOM 1448 CG GLU A 96 13.277 2.856 -6.589 1.00 0.00 C ATOM 1449 CD GLU A 96 13.602 2.041 -7.826 1.00 0.00 C ATOM 1450 OE1 GLU A 96 13.126 0.891 -7.922 1.00 0.00 O ATOM 1451 OE2 GLU A 96 14.334 2.555 -8.698 1.00 0.00 O ATOM 0 H GLU A 96 11.299 4.709 -5.673 1.00 0.00 H new ATOM 0 HA GLU A 96 10.729 2.650 -7.550 1.00 0.00 H new ATOM 0 HB2 GLU A 96 12.083 2.664 -4.825 1.00 0.00 H new ATOM 0 HB3 GLU A 96 12.035 1.265 -5.879 1.00 0.00 H new ATOM 0 HG2 GLU A 96 13.132 3.898 -6.873 1.00 0.00 H new ATOM 0 HG3 GLU A 96 14.126 2.827 -5.906 1.00 0.00 H new ATOM 1458 N PHE A 97 9.368 0.869 -6.211 1.00 0.00 N ATOM 1459 CA PHE A 97 8.274 0.065 -5.680 1.00 0.00 C ATOM 1460 C PHE A 97 8.590 -0.418 -4.267 1.00 0.00 C ATOM 1461 O PHE A 97 9.584 -1.108 -4.043 1.00 0.00 O ATOM 1462 CB PHE A 97 8.003 -1.134 -6.592 1.00 0.00 C ATOM 1463 CG PHE A 97 7.262 -0.775 -7.848 1.00 0.00 C ATOM 1464 CD1 PHE A 97 7.683 0.282 -8.639 1.00 0.00 C ATOM 1465 CD2 PHE A 97 6.145 -1.496 -8.239 1.00 0.00 C ATOM 1466 CE1 PHE A 97 7.003 0.614 -9.796 1.00 0.00 C ATOM 1467 CE2 PHE A 97 5.462 -1.169 -9.395 1.00 0.00 C ATOM 1468 CZ PHE A 97 5.891 -0.112 -10.174 1.00 0.00 C ATOM 0 H PHE A 97 9.969 0.378 -6.873 1.00 0.00 H new ATOM 0 HA PHE A 97 7.383 0.691 -5.641 1.00 0.00 H new ATOM 0 HB2 PHE A 97 8.952 -1.599 -6.860 1.00 0.00 H new ATOM 0 HB3 PHE A 97 7.428 -1.878 -6.040 1.00 0.00 H new ATOM 0 HD1 PHE A 97 8.552 0.853 -8.348 1.00 0.00 H new ATOM 0 HD2 PHE A 97 5.804 -2.323 -7.633 1.00 0.00 H new ATOM 0 HE1 PHE A 97 7.341 1.440 -10.404 1.00 0.00 H new ATOM 0 HE2 PHE A 97 4.593 -1.739 -9.689 1.00 0.00 H new ATOM 0 HZ PHE A 97 5.358 0.146 -11.077 1.00 0.00 H new ATOM 1478 N SER A 98 7.736 -0.049 -3.317 1.00 0.00 N ATOM 1479 CA SER A 98 7.926 -0.440 -1.925 1.00 0.00 C ATOM 1480 C SER A 98 8.040 -1.956 -1.798 1.00 0.00 C ATOM 1481 O SER A 98 7.951 -2.682 -2.787 1.00 0.00 O ATOM 1482 CB SER A 98 6.766 0.069 -1.068 1.00 0.00 C ATOM 1483 OG SER A 98 6.983 -0.214 0.304 1.00 0.00 O ATOM 0 H SER A 98 6.906 0.520 -3.486 1.00 0.00 H new ATOM 0 HA SER A 98 8.854 0.008 -1.570 1.00 0.00 H new ATOM 0 HB2 SER A 98 6.651 1.144 -1.207 1.00 0.00 H new ATOM 0 HB3 SER A 98 5.836 -0.396 -1.396 1.00 0.00 H new ATOM 0 HG SER A 98 7.525 0.498 0.703 1.00 0.00 H new ATOM 1489 N ASN A 99 8.238 -2.427 -0.571 1.00 0.00 N ATOM 1490 CA ASN A 99 8.366 -3.857 -0.312 1.00 0.00 C ATOM 1491 C ASN A 99 7.028 -4.565 -0.503 1.00 0.00 C ATOM 1492 O ASN A 99 6.010 -3.930 -0.779 1.00 0.00 O ATOM 1493 CB ASN A 99 8.883 -4.095 1.108 1.00 0.00 C ATOM 1494 CG ASN A 99 8.145 -3.264 2.139 1.00 0.00 C ATOM 1495 OD1 ASN A 99 7.743 -2.132 1.869 1.00 0.00 O ATOM 1496 ND2 ASN A 99 7.965 -3.823 3.330 1.00 0.00 N ATOM 0 H ASN A 99 8.313 -1.840 0.260 1.00 0.00 H new ATOM 0 HA ASN A 99 9.081 -4.268 -1.025 1.00 0.00 H new ATOM 0 HB2 ASN A 99 8.781 -5.151 1.356 1.00 0.00 H new ATOM 0 HB3 ASN A 99 9.946 -3.859 1.149 1.00 0.00 H new ATOM 0 HD21 ASN A 99 7.477 -3.311 4.065 1.00 0.00 H new ATOM 0 HD22 ASN A 99 8.315 -4.764 3.510 1.00 0.00 H new ATOM 1503 N VAL A 100 7.038 -5.886 -0.355 1.00 0.00 N ATOM 1504 CA VAL A 100 5.826 -6.682 -0.510 1.00 0.00 C ATOM 1505 C VAL A 100 5.399 -7.296 0.819 1.00 0.00 C ATOM 1506 O VAL A 100 6.078 -8.171 1.356 1.00 0.00 O ATOM 1507 CB VAL A 100 6.021 -7.807 -1.544 1.00 0.00 C ATOM 1508 CG1 VAL A 100 4.753 -8.637 -1.676 1.00 0.00 C ATOM 1509 CG2 VAL A 100 6.432 -7.228 -2.889 1.00 0.00 C ATOM 0 H VAL A 100 7.872 -6.428 -0.128 1.00 0.00 H new ATOM 0 HA VAL A 100 5.046 -6.007 -0.863 1.00 0.00 H new ATOM 0 HB VAL A 100 6.820 -8.462 -1.197 1.00 0.00 H new ATOM 0 HG11 VAL A 100 4.910 -9.427 -2.411 1.00 0.00 H new ATOM 0 HG12 VAL A 100 4.507 -9.082 -0.712 1.00 0.00 H new ATOM 0 HG13 VAL A 100 3.932 -7.998 -2.000 1.00 0.00 H new ATOM 0 HG21 VAL A 100 6.566 -8.037 -3.608 1.00 0.00 H new ATOM 0 HG22 VAL A 100 5.657 -6.550 -3.245 1.00 0.00 H new ATOM 0 HG23 VAL A 100 7.369 -6.682 -2.779 1.00 0.00 H new ATOM 1519 N MET A 101 4.269 -6.833 1.342 1.00 0.00 N ATOM 1520 CA MET A 101 3.750 -7.338 2.608 1.00 0.00 C ATOM 1521 C MET A 101 2.536 -8.233 2.379 1.00 0.00 C ATOM 1522 O MET A 101 1.550 -7.814 1.771 1.00 0.00 O ATOM 1523 CB MET A 101 3.375 -6.177 3.531 1.00 0.00 C ATOM 1524 CG MET A 101 4.565 -5.334 3.960 1.00 0.00 C ATOM 1525 SD MET A 101 5.818 -6.295 4.831 1.00 0.00 S ATOM 1526 CE MET A 101 5.253 -6.133 6.523 1.00 0.00 C ATOM 0 H MET A 101 3.695 -6.109 0.909 1.00 0.00 H new ATOM 0 HA MET A 101 4.533 -7.930 3.082 1.00 0.00 H new ATOM 0 HB2 MET A 101 2.652 -5.539 3.023 1.00 0.00 H new ATOM 0 HB3 MET A 101 2.882 -6.574 4.419 1.00 0.00 H new ATOM 0 HG2 MET A 101 5.013 -4.871 3.081 1.00 0.00 H new ATOM 0 HG3 MET A 101 4.219 -4.526 4.604 1.00 0.00 H new ATOM 0 HE1 MET A 101 6.085 -6.317 7.203 1.00 0.00 H new ATOM 0 HE2 MET A 101 4.868 -5.126 6.683 1.00 0.00 H new ATOM 0 HE3 MET A 101 4.462 -6.858 6.713 1.00 0.00 H new ATOM 1536 N ILE A 102 2.614 -9.465 2.869 1.00 0.00 N ATOM 1537 CA ILE A 102 1.520 -10.418 2.718 1.00 0.00 C ATOM 1538 C ILE A 102 0.570 -10.357 3.909 1.00 0.00 C ATOM 1539 O ILE A 102 0.848 -10.924 4.967 1.00 0.00 O ATOM 1540 CB ILE A 102 2.045 -11.858 2.567 1.00 0.00 C ATOM 1541 CG1 ILE A 102 2.880 -11.988 1.291 1.00 0.00 C ATOM 1542 CG2 ILE A 102 0.887 -12.844 2.551 1.00 0.00 C ATOM 1543 CD1 ILE A 102 3.829 -13.166 1.308 1.00 0.00 C ATOM 0 H ILE A 102 3.423 -9.827 3.374 1.00 0.00 H new ATOM 0 HA ILE A 102 0.981 -10.140 1.812 1.00 0.00 H new ATOM 0 HB ILE A 102 2.682 -12.089 3.421 1.00 0.00 H new ATOM 0 HG12 ILE A 102 2.210 -12.083 0.436 1.00 0.00 H new ATOM 0 HG13 ILE A 102 3.453 -11.072 1.146 1.00 0.00 H new ATOM 0 HG21 ILE A 102 1.274 -13.857 2.444 1.00 0.00 H new ATOM 0 HG22 ILE A 102 0.329 -12.765 3.484 1.00 0.00 H new ATOM 0 HG23 ILE A 102 0.227 -12.617 1.714 1.00 0.00 H new ATOM 0 HD11 ILE A 102 4.388 -13.196 0.373 1.00 0.00 H new ATOM 0 HD12 ILE A 102 4.523 -13.062 2.142 1.00 0.00 H new ATOM 0 HD13 ILE A 102 3.261 -14.089 1.421 1.00 0.00 H new ATOM 1555 N CYS A 103 -0.552 -9.669 3.730 1.00 0.00 N ATOM 1556 CA CYS A 103 -1.545 -9.535 4.790 1.00 0.00 C ATOM 1557 C CYS A 103 -2.800 -10.338 4.463 1.00 0.00 C ATOM 1558 O CYS A 103 -3.568 -9.973 3.575 1.00 0.00 O ATOM 1559 CB CYS A 103 -1.906 -8.064 4.997 1.00 0.00 C ATOM 1560 SG CYS A 103 -2.661 -7.707 6.600 1.00 0.00 S ATOM 0 H CYS A 103 -0.797 -9.195 2.861 1.00 0.00 H new ATOM 0 HA CYS A 103 -1.113 -9.928 5.710 1.00 0.00 H new ATOM 0 HB2 CYS A 103 -1.004 -7.461 4.890 1.00 0.00 H new ATOM 0 HB3 CYS A 103 -2.591 -7.755 4.208 1.00 0.00 H new ATOM 0 HG CYS A 103 -2.928 -6.437 6.681 1.00 0.00 H new ATOM 1566 N GLU A 104 -3.000 -11.435 5.188 1.00 0.00 N ATOM 1567 CA GLU A 104 -4.160 -12.291 4.973 1.00 0.00 C ATOM 1568 C GLU A 104 -5.405 -11.692 5.621 1.00 0.00 C ATOM 1569 O GLU A 104 -5.437 -11.451 6.828 1.00 0.00 O ATOM 1570 CB GLU A 104 -3.902 -13.690 5.536 1.00 0.00 C ATOM 1571 CG GLU A 104 -4.723 -14.778 4.865 1.00 0.00 C ATOM 1572 CD GLU A 104 -5.008 -15.947 5.788 1.00 0.00 C ATOM 1573 OE1 GLU A 104 -4.197 -16.188 6.707 1.00 0.00 O ATOM 1574 OE2 GLU A 104 -6.041 -16.620 5.591 1.00 0.00 O ATOM 0 H GLU A 104 -2.374 -11.751 5.929 1.00 0.00 H new ATOM 0 HA GLU A 104 -4.330 -12.366 3.899 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -2.844 -13.926 5.427 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -4.120 -13.688 6.604 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -5.666 -14.355 4.519 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -4.192 -15.137 3.983 1.00 0.00 H new ATOM 1581 N THR A 105 -6.431 -11.453 4.809 1.00 0.00 N ATOM 1582 CA THR A 105 -7.678 -10.881 5.301 1.00 0.00 C ATOM 1583 C THR A 105 -8.325 -11.787 6.342 1.00 0.00 C ATOM 1584 O THR A 105 -7.795 -12.847 6.674 1.00 0.00 O ATOM 1585 CB THR A 105 -8.677 -10.640 4.154 1.00 0.00 C ATOM 1586 OG1 THR A 105 -8.798 -11.821 3.354 1.00 0.00 O ATOM 1587 CG2 THR A 105 -8.230 -9.475 3.283 1.00 0.00 C ATOM 0 H THR A 105 -6.422 -11.647 3.808 1.00 0.00 H new ATOM 0 HA THR A 105 -7.427 -9.925 5.761 1.00 0.00 H new ATOM 0 HB THR A 105 -9.646 -10.396 4.590 1.00 0.00 H new ATOM 0 HG1 THR A 105 -9.501 -11.691 2.684 1.00 0.00 H new ATOM 0 HG21 THR A 105 -8.951 -9.324 2.480 1.00 0.00 H new ATOM 0 HG22 THR A 105 -8.167 -8.571 3.889 1.00 0.00 H new ATOM 0 HG23 THR A 105 -7.252 -9.695 2.856 1.00 0.00 H new ATOM 1595 N LYS A 106 -9.476 -11.363 6.854 1.00 0.00 N ATOM 1596 CA LYS A 106 -10.199 -12.137 7.857 1.00 0.00 C ATOM 1597 C LYS A 106 -11.149 -13.130 7.196 1.00 0.00 C ATOM 1598 O LYS A 106 -11.577 -12.932 6.060 1.00 0.00 O ATOM 1599 CB LYS A 106 -10.982 -11.204 8.784 1.00 0.00 C ATOM 1600 CG LYS A 106 -10.107 -10.208 9.524 1.00 0.00 C ATOM 1601 CD LYS A 106 -9.635 -10.763 10.858 1.00 0.00 C ATOM 1602 CE LYS A 106 -8.279 -10.196 11.249 1.00 0.00 C ATOM 1603 NZ LYS A 106 -7.830 -10.697 12.578 1.00 0.00 N ATOM 0 H LYS A 106 -9.928 -10.487 6.591 1.00 0.00 H new ATOM 0 HA LYS A 106 -9.470 -12.695 8.445 1.00 0.00 H new ATOM 0 HB2 LYS A 106 -11.722 -10.659 8.197 1.00 0.00 H new ATOM 0 HB3 LYS A 106 -11.530 -11.804 9.511 1.00 0.00 H new ATOM 0 HG2 LYS A 106 -9.244 -9.953 8.909 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -10.664 -9.286 9.689 1.00 0.00 H new ATOM 0 HD2 LYS A 106 -10.366 -10.526 11.631 1.00 0.00 H new ATOM 0 HD3 LYS A 106 -9.573 -11.850 10.800 1.00 0.00 H new ATOM 0 HE2 LYS A 106 -7.542 -10.464 10.492 1.00 0.00 H new ATOM 0 HE3 LYS A 106 -8.333 -9.108 11.271 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 -6.902 -10.287 12.808 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 -8.520 -10.420 13.305 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 -7.754 -11.734 12.550 1.00 0.00 H new ATOM 1617 N ALA A 107 -11.477 -14.198 7.917 1.00 0.00 N ATOM 1618 CA ALA A 107 -12.380 -15.220 7.402 1.00 0.00 C ATOM 1619 C ALA A 107 -13.822 -14.726 7.398 1.00 0.00 C ATOM 1620 O ALA A 107 -14.337 -14.276 8.422 1.00 0.00 O ATOM 1621 CB ALA A 107 -12.258 -16.494 8.224 1.00 0.00 C ATOM 0 H ALA A 107 -11.131 -14.378 8.859 1.00 0.00 H new ATOM 0 HA ALA A 107 -12.095 -15.437 6.372 1.00 0.00 H new ATOM 0 HB1 ALA A 107 -12.938 -17.249 7.829 1.00 0.00 H new ATOM 0 HB2 ALA A 107 -11.234 -16.864 8.171 1.00 0.00 H new ATOM 0 HB3 ALA A 107 -12.514 -16.283 9.262 1.00 0.00 H new ATOM 1627 N ARG A 108 -14.469 -14.812 6.241 1.00 0.00 N ATOM 1628 CA ARG A 108 -15.853 -14.372 6.104 1.00 0.00 C ATOM 1629 C ARG A 108 -16.788 -15.259 6.920 1.00 0.00 C ATOM 1630 O ARG A 108 -16.457 -16.401 7.237 1.00 0.00 O ATOM 1631 CB ARG A 108 -16.272 -14.388 4.633 1.00 0.00 C ATOM 1632 CG ARG A 108 -15.962 -15.696 3.925 1.00 0.00 C ATOM 1633 CD ARG A 108 -16.925 -15.949 2.775 1.00 0.00 C ATOM 1634 NE ARG A 108 -16.622 -17.192 2.071 1.00 0.00 N ATOM 1635 CZ ARG A 108 -17.420 -17.732 1.156 1.00 0.00 C ATOM 1636 NH1 ARG A 108 -18.563 -17.141 0.837 1.00 0.00 N ATOM 1637 NH2 ARG A 108 -17.075 -18.866 0.559 1.00 0.00 N ATOM 0 H ARG A 108 -14.058 -15.182 5.384 1.00 0.00 H new ATOM 0 HA ARG A 108 -15.924 -13.353 6.484 1.00 0.00 H new ATOM 0 HB2 ARG A 108 -17.343 -14.194 4.567 1.00 0.00 H new ATOM 0 HB3 ARG A 108 -15.768 -13.574 4.112 1.00 0.00 H new ATOM 0 HG2 ARG A 108 -14.940 -15.673 3.547 1.00 0.00 H new ATOM 0 HG3 ARG A 108 -16.020 -16.519 4.637 1.00 0.00 H new ATOM 0 HD2 ARG A 108 -17.945 -15.989 3.158 1.00 0.00 H new ATOM 0 HD3 ARG A 108 -16.880 -15.115 2.074 1.00 0.00 H new ATOM 0 HE ARG A 108 -15.750 -17.672 2.294 1.00 0.00 H new ATOM 0 HH11 ARG A 108 -18.832 -16.270 1.294 1.00 0.00 H new ATOM 0 HH12 ARG A 108 -19.174 -17.558 0.134 1.00 0.00 H new ATOM 0 HH21 ARG A 108 -16.197 -19.324 0.802 1.00 0.00 H new ATOM 0 HH22 ARG A 108 -17.688 -19.280 -0.143 1.00 0.00 H new