USER MOD reduce.3.24.130724 H: found=0, std=0, add=1008, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 1009 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 Single : A 8 MET CE :methyl -133:sc= -5.58! (180deg=-10.1!) USER MOD Single : A 13 ASN : amide:sc= -1.39 K(o=-1.4,f=-0.61) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 ASN : amide:sc= -0.332 K(o=-0.33,f=-2.6!) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 GLN : amide:sc= -0.0676 K(o=-0.068,f=-0.64) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 32 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 36 SER OG : rot 65:sc= 1.21 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 141:sc= 0.834 (180deg=0.151) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 GLN : amide:sc= 0.0198 K(o=0.02,f=-1.2!) USER MOD Single : A 45 TYR OH : rot 15:sc= 0.0795 USER MOD Single : A 48 CYS SG : rot 169:sc= 0.872 USER MOD Single : A 52 SER OG : rot 40:sc= 0.264 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 ASN : amide:sc= -0.17 K(o=-0.17,f=-5.2!) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 SER OG : rot 180:sc= -0.014 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 GLN : amide:sc= -0.766 K(o=-0.77,f=-2!) USER MOD Single : A 80 TYR OH : rot 165:sc= 0 USER MOD Single : A 83 TYR OH : rot -88:sc= 0.305 USER MOD Single : A 88 ASN : amide:sc= 0.674 K(o=0.67,f=-1.1) USER MOD Single : A 89 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 TYR OH : rot -113:sc= -0.715 USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 TYR OH : rot 171:sc= -0.0341 USER MOD Single : A 106 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 107 THR OG1 : rot -25:sc= -2.31! USER MOD Single : A 110 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 111 ASN : amide:sc= -2! C(o=-2!,f=-20!) USER MOD Single : A 112 ASN : amide:sc= -0.0514 X(o=-0.051,f=-0.051) USER MOD Single : A 113 GLN : amide:sc= -0.24 X(o=-0.24,f=0) USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 123 LYS NZ :NH3+ -152:sc= -0.0882 (180deg=-0.6) USER MOD Single : A 125 MET CE :methyl -144:sc= -1.99 (180deg=-5.16!) USER MOD Single : A 126 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.00534) USER MOD Single : A 127 LYS NZ :NH3+ -150:sc= 0 (180deg=-0.0172) USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 7 -14.973 5.241 7.333 1.00 0.00 N ATOM 60 CA GLY A 7 -14.543 3.921 6.905 1.00 0.00 C ATOM 61 C GLY A 7 -13.400 4.018 5.893 1.00 0.00 C ATOM 62 O GLY A 7 -12.238 3.813 6.242 1.00 0.00 O ATOM 0 HA2 GLY A 7 -14.219 3.342 7.770 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -15.383 3.387 6.460 1.00 0.00 H new ATOM 66 N MET A 8 -13.769 4.332 4.660 1.00 0.00 N ATOM 67 CA MET A 8 -12.788 4.459 3.595 1.00 0.00 C ATOM 68 C MET A 8 -12.422 5.926 3.359 1.00 0.00 C ATOM 69 O MET A 8 -11.246 6.263 3.234 1.00 0.00 O ATOM 70 CB MET A 8 -13.354 3.861 2.306 1.00 0.00 C ATOM 71 CG MET A 8 -12.300 3.848 1.198 1.00 0.00 C ATOM 72 SD MET A 8 -11.006 2.684 1.600 1.00 0.00 S ATOM 73 CE MET A 8 -9.595 3.545 0.928 1.00 0.00 C ATOM 0 H MET A 8 -14.733 4.502 4.374 1.00 0.00 H new ATOM 0 HA MET A 8 -11.887 3.922 3.891 1.00 0.00 H new ATOM 0 HB2 MET A 8 -13.701 2.845 2.494 1.00 0.00 H new ATOM 0 HB3 MET A 8 -14.220 4.439 1.982 1.00 0.00 H new ATOM 0 HG2 MET A 8 -12.762 3.577 0.248 1.00 0.00 H new ATOM 0 HG3 MET A 8 -11.878 4.845 1.074 1.00 0.00 H new ATOM 0 HE1 MET A 8 -8.994 2.853 0.338 1.00 0.00 H new ATOM 0 HE2 MET A 8 -9.936 4.362 0.293 1.00 0.00 H new ATOM 0 HE3 MET A 8 -8.992 3.946 1.742 1.00 0.00 H new ATOM 83 N GLU A 9 -13.451 6.759 3.306 1.00 0.00 N ATOM 84 CA GLU A 9 -13.253 8.182 3.087 1.00 0.00 C ATOM 85 C GLU A 9 -12.398 8.776 4.208 1.00 0.00 C ATOM 86 O GLU A 9 -11.893 9.891 4.084 1.00 0.00 O ATOM 87 CB GLU A 9 -14.592 8.911 2.973 1.00 0.00 C ATOM 88 CG GLU A 9 -14.593 9.871 1.781 1.00 0.00 C ATOM 89 CD GLU A 9 -15.929 10.609 1.674 1.00 0.00 C ATOM 90 OE1 GLU A 9 -16.096 11.593 2.427 1.00 0.00 O ATOM 91 OE2 GLU A 9 -16.753 10.174 0.841 1.00 0.00 O ATOM 0 H GLU A 9 -14.425 6.476 3.411 1.00 0.00 H new ATOM 0 HA GLU A 9 -12.724 8.315 2.143 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -15.397 8.185 2.861 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -14.788 9.465 3.891 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -13.783 10.592 1.889 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -14.405 9.316 0.862 1.00 0.00 H new ATOM 98 N ALA A 10 -12.262 8.006 5.278 1.00 0.00 N ATOM 99 CA ALA A 10 -11.479 8.443 6.420 1.00 0.00 C ATOM 100 C ALA A 10 -10.031 7.977 6.248 1.00 0.00 C ATOM 101 O ALA A 10 -9.097 8.712 6.564 1.00 0.00 O ATOM 102 CB ALA A 10 -12.113 7.914 7.708 1.00 0.00 C ATOM 0 H ALA A 10 -12.682 7.082 5.377 1.00 0.00 H new ATOM 0 HA ALA A 10 -11.470 9.531 6.485 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -11.525 8.242 8.565 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -13.129 8.297 7.797 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -12.137 6.825 7.681 1.00 0.00 H new ATOM 108 N VAL A 11 -9.891 6.757 5.749 1.00 0.00 N ATOM 109 CA VAL A 11 -8.574 6.184 5.532 1.00 0.00 C ATOM 110 C VAL A 11 -7.806 7.049 4.530 1.00 0.00 C ATOM 111 O VAL A 11 -6.653 7.404 4.769 1.00 0.00 O ATOM 112 CB VAL A 11 -8.705 4.726 5.086 1.00 0.00 C ATOM 113 CG1 VAL A 11 -7.511 4.306 4.227 1.00 0.00 C ATOM 114 CG2 VAL A 11 -8.867 3.797 6.291 1.00 0.00 C ATOM 0 H VAL A 11 -10.668 6.150 5.489 1.00 0.00 H new ATOM 0 HA VAL A 11 -8.003 6.176 6.460 1.00 0.00 H new ATOM 0 HB VAL A 11 -9.603 4.642 4.475 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -7.629 3.266 3.923 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -7.460 4.939 3.341 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -6.592 4.414 4.804 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -8.958 2.767 5.947 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -7.996 3.887 6.940 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -9.763 4.074 6.846 1.00 0.00 H new ATOM 124 N LEU A 12 -8.476 7.363 3.431 1.00 0.00 N ATOM 125 CA LEU A 12 -7.870 8.179 2.392 1.00 0.00 C ATOM 126 C LEU A 12 -7.660 9.598 2.924 1.00 0.00 C ATOM 127 O LEU A 12 -6.651 10.234 2.623 1.00 0.00 O ATOM 128 CB LEU A 12 -8.703 8.119 1.110 1.00 0.00 C ATOM 129 CG LEU A 12 -8.309 7.034 0.105 1.00 0.00 C ATOM 130 CD1 LEU A 12 -9.329 6.944 -1.030 1.00 0.00 C ATOM 131 CD2 LEU A 12 -6.889 7.261 -0.418 1.00 0.00 C ATOM 0 H LEU A 12 -9.433 7.067 3.237 1.00 0.00 H new ATOM 0 HA LEU A 12 -6.888 7.789 2.124 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -9.747 7.970 1.385 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -8.639 9.087 0.613 1.00 0.00 H new ATOM 0 HG LEU A 12 -8.313 6.073 0.620 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -9.026 6.166 -1.731 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -10.309 6.701 -0.620 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -9.380 7.901 -1.550 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -6.634 6.476 -1.130 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -6.834 8.231 -0.912 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -6.186 7.237 0.415 1.00 0.00 H new ATOM 143 N ASN A 13 -8.629 10.053 3.704 1.00 0.00 N ATOM 144 CA ASN A 13 -8.562 11.386 4.279 1.00 0.00 C ATOM 145 C ASN A 13 -7.349 11.477 5.205 1.00 0.00 C ATOM 146 O ASN A 13 -6.300 11.988 4.814 1.00 0.00 O ATOM 147 CB ASN A 13 -9.813 11.692 5.106 1.00 0.00 C ATOM 148 CG ASN A 13 -10.771 12.601 4.336 1.00 0.00 C ATOM 149 OD1 ASN A 13 -11.206 13.637 4.813 1.00 0.00 O ATOM 150 ND2 ASN A 13 -11.077 12.159 3.118 1.00 0.00 N ATOM 0 H ASN A 13 -9.465 9.523 3.951 1.00 0.00 H new ATOM 0 HA ASN A 13 -8.486 12.103 3.461 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -10.318 10.762 5.365 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -9.526 12.170 6.042 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -11.710 12.696 2.525 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -10.679 11.284 2.778 1.00 0.00 H new ATOM 157 N GLU A 14 -7.531 10.973 6.417 1.00 0.00 N ATOM 158 CA GLU A 14 -6.463 10.991 7.403 1.00 0.00 C ATOM 159 C GLU A 14 -5.123 10.663 6.741 1.00 0.00 C ATOM 160 O GLU A 14 -5.087 10.054 5.673 1.00 0.00 O ATOM 161 CB GLU A 14 -6.759 10.021 8.550 1.00 0.00 C ATOM 162 CG GLU A 14 -6.751 10.747 9.897 1.00 0.00 C ATOM 163 CD GLU A 14 -5.391 10.612 10.585 1.00 0.00 C ATOM 164 OE1 GLU A 14 -4.996 9.453 10.836 1.00 0.00 O ATOM 165 OE2 GLU A 14 -4.778 11.669 10.844 1.00 0.00 O ATOM 0 H GLU A 14 -8.402 10.550 6.739 1.00 0.00 H new ATOM 0 HA GLU A 14 -6.402 11.994 7.825 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -7.729 9.551 8.392 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -6.016 9.224 8.558 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -6.984 11.801 9.747 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -7.530 10.337 10.540 1.00 0.00 H new ATOM 172 N LEU A 15 -4.054 11.083 7.403 1.00 0.00 N ATOM 173 CA LEU A 15 -2.716 10.841 6.890 1.00 0.00 C ATOM 174 C LEU A 15 -1.905 10.074 7.937 1.00 0.00 C ATOM 175 O LEU A 15 -2.313 9.977 9.094 1.00 0.00 O ATOM 176 CB LEU A 15 -2.066 12.155 6.452 1.00 0.00 C ATOM 177 CG LEU A 15 -2.881 13.017 5.486 1.00 0.00 C ATOM 178 CD1 LEU A 15 -2.268 14.411 5.344 1.00 0.00 C ATOM 179 CD2 LEU A 15 -3.041 12.322 4.131 1.00 0.00 C ATOM 0 H LEU A 15 -4.087 11.588 8.288 1.00 0.00 H new ATOM 0 HA LEU A 15 -2.757 10.217 5.997 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -1.852 12.746 7.343 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -1.109 11.925 5.984 1.00 0.00 H new ATOM 0 HG LEU A 15 -3.880 13.145 5.903 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -2.867 15.003 4.652 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -2.249 14.901 6.318 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -1.251 14.324 4.961 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -3.624 12.956 3.463 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -2.058 12.144 3.695 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -3.555 11.371 4.268 1.00 0.00 H new ATOM 191 N VAL A 16 -0.773 9.548 7.494 1.00 0.00 N ATOM 192 CA VAL A 16 0.098 8.793 8.377 1.00 0.00 C ATOM 193 C VAL A 16 0.945 9.762 9.202 1.00 0.00 C ATOM 194 O VAL A 16 1.362 10.807 8.706 1.00 0.00 O ATOM 195 CB VAL A 16 0.939 7.806 7.564 1.00 0.00 C ATOM 196 CG1 VAL A 16 2.273 8.433 7.153 1.00 0.00 C ATOM 197 CG2 VAL A 16 1.160 6.505 8.338 1.00 0.00 C ATOM 0 H VAL A 16 -0.439 9.630 6.534 1.00 0.00 H new ATOM 0 HA VAL A 16 -0.490 8.199 9.077 1.00 0.00 H new ATOM 0 HB VAL A 16 0.387 7.565 6.655 1.00 0.00 H new ATOM 0 HG11 VAL A 16 2.852 7.711 6.577 1.00 0.00 H new ATOM 0 HG12 VAL A 16 2.087 9.318 6.545 1.00 0.00 H new ATOM 0 HG13 VAL A 16 2.832 8.717 8.045 1.00 0.00 H new ATOM 0 HG21 VAL A 16 1.760 5.822 7.737 1.00 0.00 H new ATOM 0 HG22 VAL A 16 1.680 6.721 9.271 1.00 0.00 H new ATOM 0 HG23 VAL A 16 0.197 6.044 8.558 1.00 0.00 H new ATOM 207 N SER A 17 1.176 9.381 10.451 1.00 0.00 N ATOM 208 CA SER A 17 1.966 10.204 11.351 1.00 0.00 C ATOM 209 C SER A 17 3.448 9.846 11.222 1.00 0.00 C ATOM 210 O SER A 17 3.813 8.672 11.273 1.00 0.00 O ATOM 211 CB SER A 17 1.503 10.037 12.799 1.00 0.00 C ATOM 212 OG SER A 17 0.086 9.931 12.898 1.00 0.00 O ATOM 0 H SER A 17 0.830 8.513 10.860 1.00 0.00 H new ATOM 0 HA SER A 17 1.826 11.248 11.072 1.00 0.00 H new ATOM 0 HB2 SER A 17 1.964 9.146 13.226 1.00 0.00 H new ATOM 0 HB3 SER A 17 1.845 10.887 13.389 1.00 0.00 H new ATOM 0 HG SER A 17 -0.169 9.824 13.838 1.00 0.00 H new ATOM 218 N VAL A 18 4.262 10.878 11.058 1.00 0.00 N ATOM 219 CA VAL A 18 5.696 10.687 10.921 1.00 0.00 C ATOM 220 C VAL A 18 6.200 9.807 12.068 1.00 0.00 C ATOM 221 O VAL A 18 6.884 8.811 11.837 1.00 0.00 O ATOM 222 CB VAL A 18 6.401 12.043 10.854 1.00 0.00 C ATOM 223 CG1 VAL A 18 6.457 12.701 12.233 1.00 0.00 C ATOM 224 CG2 VAL A 18 7.801 11.903 10.255 1.00 0.00 C ATOM 0 H VAL A 18 3.956 11.850 11.017 1.00 0.00 H new ATOM 0 HA VAL A 18 5.925 10.171 9.989 1.00 0.00 H new ATOM 0 HB VAL A 18 5.820 12.691 10.198 1.00 0.00 H new ATOM 0 HG11 VAL A 18 6.963 13.663 12.157 1.00 0.00 H new ATOM 0 HG12 VAL A 18 5.444 12.852 12.605 1.00 0.00 H new ATOM 0 HG13 VAL A 18 7.004 12.057 12.922 1.00 0.00 H new ATOM 0 HG21 VAL A 18 8.281 12.881 10.219 1.00 0.00 H new ATOM 0 HG22 VAL A 18 8.396 11.230 10.873 1.00 0.00 H new ATOM 0 HG23 VAL A 18 7.726 11.498 9.246 1.00 0.00 H new ATOM 234 N GLU A 19 5.842 10.207 13.279 1.00 0.00 N ATOM 235 CA GLU A 19 6.249 9.468 14.462 1.00 0.00 C ATOM 236 C GLU A 19 6.229 7.965 14.181 1.00 0.00 C ATOM 237 O GLU A 19 7.194 7.262 14.480 1.00 0.00 O ATOM 238 CB GLU A 19 5.360 9.815 15.658 1.00 0.00 C ATOM 239 CG GLU A 19 6.159 9.786 16.962 1.00 0.00 C ATOM 240 CD GLU A 19 5.431 8.973 18.035 1.00 0.00 C ATOM 241 OE1 GLU A 19 5.312 7.745 17.832 1.00 0.00 O ATOM 242 OE2 GLU A 19 5.009 9.597 19.031 1.00 0.00 O ATOM 0 H GLU A 19 5.274 11.033 13.467 1.00 0.00 H new ATOM 0 HA GLU A 19 7.269 9.757 14.714 1.00 0.00 H new ATOM 0 HB2 GLU A 19 4.924 10.804 15.517 1.00 0.00 H new ATOM 0 HB3 GLU A 19 4.533 9.107 15.718 1.00 0.00 H new ATOM 0 HG2 GLU A 19 7.143 9.355 16.780 1.00 0.00 H new ATOM 0 HG3 GLU A 19 6.318 10.804 17.318 1.00 0.00 H new ATOM 249 N ASP A 20 5.121 7.516 13.611 1.00 0.00 N ATOM 250 CA ASP A 20 4.963 6.109 13.287 1.00 0.00 C ATOM 251 C ASP A 20 5.846 5.764 12.086 1.00 0.00 C ATOM 252 O ASP A 20 6.644 4.830 12.145 1.00 0.00 O ATOM 253 CB ASP A 20 3.513 5.788 12.916 1.00 0.00 C ATOM 254 CG ASP A 20 2.671 5.199 14.049 1.00 0.00 C ATOM 255 OD1 ASP A 20 3.244 5.013 15.144 1.00 0.00 O ATOM 256 OD2 ASP A 20 1.474 4.946 13.794 1.00 0.00 O ATOM 0 H ASP A 20 4.323 8.102 13.365 1.00 0.00 H new ATOM 0 HA ASP A 20 5.248 5.527 14.164 1.00 0.00 H new ATOM 0 HB2 ASP A 20 3.033 6.701 12.564 1.00 0.00 H new ATOM 0 HB3 ASP A 20 3.514 5.086 12.082 1.00 0.00 H new ATOM 261 N LEU A 21 5.672 6.537 11.024 1.00 0.00 N ATOM 262 CA LEU A 21 6.443 6.325 9.810 1.00 0.00 C ATOM 263 C LEU A 21 7.898 6.024 10.181 1.00 0.00 C ATOM 264 O LEU A 21 8.457 5.019 9.748 1.00 0.00 O ATOM 265 CB LEU A 21 6.284 7.513 8.860 1.00 0.00 C ATOM 266 CG LEU A 21 6.625 7.249 7.392 1.00 0.00 C ATOM 267 CD1 LEU A 21 8.132 7.066 7.204 1.00 0.00 C ATOM 268 CD2 LEU A 21 5.831 6.059 6.850 1.00 0.00 C ATOM 0 H LEU A 21 5.009 7.311 10.979 1.00 0.00 H new ATOM 0 HA LEU A 21 6.066 5.459 9.266 1.00 0.00 H new ATOM 0 HB2 LEU A 21 5.253 7.862 8.916 1.00 0.00 H new ATOM 0 HB3 LEU A 21 6.915 8.326 9.218 1.00 0.00 H new ATOM 0 HG LEU A 21 6.332 8.123 6.811 1.00 0.00 H new ATOM 0 HD11 LEU A 21 8.347 6.880 6.152 1.00 0.00 H new ATOM 0 HD12 LEU A 21 8.651 7.969 7.526 1.00 0.00 H new ATOM 0 HD13 LEU A 21 8.473 6.219 7.800 1.00 0.00 H new ATOM 0 HD21 LEU A 21 6.092 5.893 5.805 1.00 0.00 H new ATOM 0 HD22 LEU A 21 6.070 5.168 7.430 1.00 0.00 H new ATOM 0 HD23 LEU A 21 4.764 6.267 6.929 1.00 0.00 H new ATOM 280 N LYS A 22 8.467 6.916 10.979 1.00 0.00 N ATOM 281 CA LYS A 22 9.845 6.759 11.413 1.00 0.00 C ATOM 282 C LYS A 22 9.983 5.451 12.195 1.00 0.00 C ATOM 283 O LYS A 22 10.956 4.719 12.021 1.00 0.00 O ATOM 284 CB LYS A 22 10.305 7.992 12.192 1.00 0.00 C ATOM 285 CG LYS A 22 10.547 9.176 11.252 1.00 0.00 C ATOM 286 CD LYS A 22 12.036 9.513 11.167 1.00 0.00 C ATOM 287 CE LYS A 22 12.256 10.856 10.465 1.00 0.00 C ATOM 288 NZ LYS A 22 12.943 10.657 9.170 1.00 0.00 N ATOM 0 H LYS A 22 7.999 7.749 11.336 1.00 0.00 H new ATOM 0 HA LYS A 22 10.510 6.688 10.552 1.00 0.00 H new ATOM 0 HB2 LYS A 22 9.552 8.260 12.934 1.00 0.00 H new ATOM 0 HB3 LYS A 22 11.221 7.762 12.736 1.00 0.00 H new ATOM 0 HG2 LYS A 22 10.167 8.940 10.258 1.00 0.00 H new ATOM 0 HG3 LYS A 22 9.993 10.045 11.607 1.00 0.00 H new ATOM 0 HD2 LYS A 22 12.462 9.549 12.170 1.00 0.00 H new ATOM 0 HD3 LYS A 22 12.560 8.726 10.626 1.00 0.00 H new ATOM 0 HE2 LYS A 22 11.298 11.350 10.303 1.00 0.00 H new ATOM 0 HE3 LYS A 22 12.849 11.513 11.101 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 13.084 11.577 8.707 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 13.866 10.206 9.332 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 12.362 10.048 8.559 1.00 0.00 H new ATOM 302 N ASN A 23 8.995 5.197 13.039 1.00 0.00 N ATOM 303 CA ASN A 23 8.994 3.990 13.849 1.00 0.00 C ATOM 304 C ASN A 23 9.135 2.770 12.937 1.00 0.00 C ATOM 305 O ASN A 23 9.975 1.904 13.178 1.00 0.00 O ATOM 306 CB ASN A 23 7.684 3.850 14.627 1.00 0.00 C ATOM 307 CG ASN A 23 7.946 3.406 16.067 1.00 0.00 C ATOM 308 OD1 ASN A 23 9.070 3.162 16.475 1.00 0.00 O ATOM 309 ND2 ASN A 23 6.849 3.314 16.814 1.00 0.00 N ATOM 0 H ASN A 23 8.189 5.806 13.180 1.00 0.00 H new ATOM 0 HA ASN A 23 9.825 4.054 14.551 1.00 0.00 H new ATOM 0 HB2 ASN A 23 7.154 4.802 14.627 1.00 0.00 H new ATOM 0 HB3 ASN A 23 7.038 3.125 14.131 1.00 0.00 H new ATOM 0 HD21 ASN A 23 6.919 3.025 17.790 1.00 0.00 H new ATOM 0 HD22 ASN A 23 5.938 3.533 16.411 1.00 0.00 H new ATOM 316 N PHE A 24 8.300 2.739 11.909 1.00 0.00 N ATOM 317 CA PHE A 24 8.322 1.639 10.960 1.00 0.00 C ATOM 318 C PHE A 24 9.554 1.718 10.057 1.00 0.00 C ATOM 319 O PHE A 24 10.271 0.733 9.891 1.00 0.00 O ATOM 320 CB PHE A 24 7.064 1.767 10.099 1.00 0.00 C ATOM 321 CG PHE A 24 5.793 1.244 10.771 1.00 0.00 C ATOM 322 CD1 PHE A 24 5.056 2.067 11.564 1.00 0.00 C ATOM 323 CD2 PHE A 24 5.401 -0.044 10.578 1.00 0.00 C ATOM 324 CE1 PHE A 24 3.876 1.581 12.189 1.00 0.00 C ATOM 325 CE2 PHE A 24 4.222 -0.530 11.202 1.00 0.00 C ATOM 326 CZ PHE A 24 3.484 0.294 11.994 1.00 0.00 C ATOM 0 H PHE A 24 7.604 3.458 11.712 1.00 0.00 H new ATOM 0 HA PHE A 24 8.356 0.689 11.493 1.00 0.00 H new ATOM 0 HB2 PHE A 24 6.920 2.816 9.839 1.00 0.00 H new ATOM 0 HB3 PHE A 24 7.218 1.225 9.166 1.00 0.00 H new ATOM 0 HD1 PHE A 24 5.367 3.090 11.719 1.00 0.00 H new ATOM 0 HD2 PHE A 24 5.987 -0.698 9.949 1.00 0.00 H new ATOM 0 HE1 PHE A 24 3.290 2.234 12.819 1.00 0.00 H new ATOM 0 HE2 PHE A 24 3.911 -1.553 11.048 1.00 0.00 H new ATOM 0 HZ PHE A 24 2.586 -0.075 12.468 1.00 0.00 H new ATOM 336 N GLU A 25 9.762 2.901 9.496 1.00 0.00 N ATOM 337 CA GLU A 25 10.895 3.121 8.613 1.00 0.00 C ATOM 338 C GLU A 25 12.184 2.617 9.268 1.00 0.00 C ATOM 339 O GLU A 25 13.098 2.166 8.579 1.00 0.00 O ATOM 340 CB GLU A 25 11.015 4.599 8.234 1.00 0.00 C ATOM 341 CG GLU A 25 11.723 4.763 6.887 1.00 0.00 C ATOM 342 CD GLU A 25 11.767 6.234 6.467 1.00 0.00 C ATOM 343 OE1 GLU A 25 11.496 7.083 7.344 1.00 0.00 O ATOM 344 OE2 GLU A 25 12.072 6.476 5.280 1.00 0.00 O ATOM 0 H GLU A 25 9.165 3.716 9.636 1.00 0.00 H new ATOM 0 HA GLU A 25 10.731 2.556 7.695 1.00 0.00 H new ATOM 0 HB2 GLU A 25 10.023 5.047 8.184 1.00 0.00 H new ATOM 0 HB3 GLU A 25 11.568 5.133 9.007 1.00 0.00 H new ATOM 0 HG2 GLU A 25 12.737 4.370 6.955 1.00 0.00 H new ATOM 0 HG3 GLU A 25 11.205 4.179 6.126 1.00 0.00 H new ATOM 351 N ARG A 26 12.214 2.710 10.588 1.00 0.00 N ATOM 352 CA ARG A 26 13.374 2.268 11.343 1.00 0.00 C ATOM 353 C ARG A 26 13.471 0.742 11.325 1.00 0.00 C ATOM 354 O ARG A 26 14.559 0.187 11.179 1.00 0.00 O ATOM 355 CB ARG A 26 13.305 2.750 12.794 1.00 0.00 C ATOM 356 CG ARG A 26 13.864 1.695 13.749 1.00 0.00 C ATOM 357 CD ARG A 26 14.237 2.318 15.096 1.00 0.00 C ATOM 358 NE ARG A 26 14.048 1.328 16.182 1.00 0.00 N ATOM 359 CZ ARG A 26 14.008 1.641 17.484 1.00 0.00 C ATOM 360 NH1 ARG A 26 14.143 2.915 17.872 1.00 0.00 N ATOM 361 NH2 ARG A 26 13.834 0.677 18.398 1.00 0.00 N ATOM 0 H ARG A 26 11.454 3.085 11.155 1.00 0.00 H new ATOM 0 HA ARG A 26 14.258 2.697 10.871 1.00 0.00 H new ATOM 0 HB2 ARG A 26 13.869 3.677 12.900 1.00 0.00 H new ATOM 0 HB3 ARG A 26 12.271 2.973 13.058 1.00 0.00 H new ATOM 0 HG2 ARG A 26 13.125 0.908 13.900 1.00 0.00 H new ATOM 0 HG3 ARG A 26 14.742 1.226 13.305 1.00 0.00 H new ATOM 0 HD2 ARG A 26 15.274 2.654 15.076 1.00 0.00 H new ATOM 0 HD3 ARG A 26 13.620 3.197 15.283 1.00 0.00 H new ATOM 0 HE ARG A 26 13.942 0.347 15.922 1.00 0.00 H new ATOM 0 HH11 ARG A 26 14.276 3.649 17.176 1.00 0.00 H new ATOM 0 HH12 ARG A 26 14.112 3.152 18.864 1.00 0.00 H new ATOM 0 HH21 ARG A 26 13.732 -0.294 18.102 1.00 0.00 H new ATOM 0 HH22 ARG A 26 13.803 0.914 19.390 1.00 0.00 H new ATOM 375 N LYS A 27 12.318 0.106 11.473 1.00 0.00 N ATOM 376 CA LYS A 27 12.259 -1.346 11.475 1.00 0.00 C ATOM 377 C LYS A 27 12.750 -1.874 10.124 1.00 0.00 C ATOM 378 O LYS A 27 13.543 -2.813 10.072 1.00 0.00 O ATOM 379 CB LYS A 27 10.855 -1.825 11.848 1.00 0.00 C ATOM 380 CG LYS A 27 10.908 -2.839 12.992 1.00 0.00 C ATOM 381 CD LYS A 27 10.407 -2.221 14.298 1.00 0.00 C ATOM 382 CE LYS A 27 11.407 -2.451 15.433 1.00 0.00 C ATOM 383 NZ LYS A 27 10.724 -3.002 16.624 1.00 0.00 N ATOM 0 H LYS A 27 11.417 0.570 11.592 1.00 0.00 H new ATOM 0 HA LYS A 27 12.923 -1.753 12.238 1.00 0.00 H new ATOM 0 HB2 LYS A 27 10.242 -0.973 12.141 1.00 0.00 H new ATOM 0 HB3 LYS A 27 10.378 -2.277 10.978 1.00 0.00 H new ATOM 0 HG2 LYS A 27 10.300 -3.708 12.740 1.00 0.00 H new ATOM 0 HG3 LYS A 27 11.931 -3.192 13.122 1.00 0.00 H new ATOM 0 HD2 LYS A 27 10.247 -1.152 14.161 1.00 0.00 H new ATOM 0 HD3 LYS A 27 9.443 -2.656 14.564 1.00 0.00 H new ATOM 0 HE2 LYS A 27 12.187 -3.138 15.104 1.00 0.00 H new ATOM 0 HE3 LYS A 27 11.897 -1.512 15.690 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 11.418 -3.152 17.384 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 9.996 -2.333 16.947 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 10.277 -3.909 16.380 1.00 0.00 H new ATOM 397 N PHE A 28 12.257 -1.247 9.066 1.00 0.00 N ATOM 398 CA PHE A 28 12.635 -1.642 7.720 1.00 0.00 C ATOM 399 C PHE A 28 14.153 -1.595 7.541 1.00 0.00 C ATOM 400 O PHE A 28 14.774 -2.602 7.204 1.00 0.00 O ATOM 401 CB PHE A 28 11.988 -0.639 6.761 1.00 0.00 C ATOM 402 CG PHE A 28 11.936 -1.113 5.307 1.00 0.00 C ATOM 403 CD1 PHE A 28 10.960 -1.971 4.907 1.00 0.00 C ATOM 404 CD2 PHE A 28 12.865 -0.677 4.417 1.00 0.00 C ATOM 405 CE1 PHE A 28 10.910 -2.410 3.558 1.00 0.00 C ATOM 406 CE2 PHE A 28 12.816 -1.116 3.066 1.00 0.00 C ATOM 407 CZ PHE A 28 11.840 -1.974 2.666 1.00 0.00 C ATOM 0 H PHE A 28 11.599 -0.469 9.114 1.00 0.00 H new ATOM 0 HA PHE A 28 12.305 -2.662 7.525 1.00 0.00 H new ATOM 0 HB2 PHE A 28 10.974 -0.430 7.101 1.00 0.00 H new ATOM 0 HB3 PHE A 28 12.540 0.300 6.807 1.00 0.00 H new ATOM 0 HD1 PHE A 28 10.223 -2.319 5.616 1.00 0.00 H new ATOM 0 HD2 PHE A 28 13.641 0.003 4.736 1.00 0.00 H new ATOM 0 HE1 PHE A 28 10.134 -3.090 3.240 1.00 0.00 H new ATOM 0 HE2 PHE A 28 13.553 -0.768 2.358 1.00 0.00 H new ATOM 0 HZ PHE A 28 11.803 -2.309 1.640 1.00 0.00 H new ATOM 417 N GLN A 29 14.709 -0.415 7.773 1.00 0.00 N ATOM 418 CA GLN A 29 16.143 -0.223 7.642 1.00 0.00 C ATOM 419 C GLN A 29 16.895 -1.264 8.473 1.00 0.00 C ATOM 420 O GLN A 29 17.718 -2.009 7.943 1.00 0.00 O ATOM 421 CB GLN A 29 16.546 1.197 8.046 1.00 0.00 C ATOM 422 CG GLN A 29 15.968 2.228 7.074 1.00 0.00 C ATOM 423 CD GLN A 29 16.826 3.495 7.046 1.00 0.00 C ATOM 424 OE1 GLN A 29 18.045 3.450 7.021 1.00 0.00 O ATOM 425 NE2 GLN A 29 16.123 4.624 7.051 1.00 0.00 N ATOM 0 H GLN A 29 14.191 0.419 8.051 1.00 0.00 H new ATOM 0 HA GLN A 29 16.414 -0.357 6.595 1.00 0.00 H new ATOM 0 HB2 GLN A 29 16.193 1.406 9.056 1.00 0.00 H new ATOM 0 HB3 GLN A 29 17.633 1.279 8.065 1.00 0.00 H new ATOM 0 HG2 GLN A 29 15.913 1.799 6.073 1.00 0.00 H new ATOM 0 HG3 GLN A 29 14.949 2.480 7.369 1.00 0.00 H new ATOM 0 HE21 GLN A 29 15.104 4.590 7.072 1.00 0.00 H new ATOM 0 HE22 GLN A 29 16.603 5.524 7.033 1.00 0.00 H new ATOM 434 N SER A 30 16.586 -1.281 9.762 1.00 0.00 N ATOM 435 CA SER A 30 17.224 -2.219 10.671 1.00 0.00 C ATOM 436 C SER A 30 17.095 -3.644 10.129 1.00 0.00 C ATOM 437 O SER A 30 18.093 -4.271 9.776 1.00 0.00 O ATOM 438 CB SER A 30 16.615 -2.127 12.071 1.00 0.00 C ATOM 439 OG SER A 30 16.979 -3.239 12.886 1.00 0.00 O ATOM 0 H SER A 30 15.903 -0.661 10.198 1.00 0.00 H new ATOM 0 HA SER A 30 18.280 -1.960 10.745 1.00 0.00 H new ATOM 0 HB2 SER A 30 16.943 -1.204 12.549 1.00 0.00 H new ATOM 0 HB3 SER A 30 15.529 -2.076 11.991 1.00 0.00 H new ATOM 0 HG SER A 30 16.572 -3.142 13.772 1.00 0.00 H new ATOM 445 N GLU A 31 15.858 -4.114 10.078 1.00 0.00 N ATOM 446 CA GLU A 31 15.585 -5.454 9.585 1.00 0.00 C ATOM 447 C GLU A 31 16.387 -5.723 8.310 1.00 0.00 C ATOM 448 O GLU A 31 16.759 -6.862 8.035 1.00 0.00 O ATOM 449 CB GLU A 31 14.088 -5.656 9.344 1.00 0.00 C ATOM 450 CG GLU A 31 13.316 -5.656 10.665 1.00 0.00 C ATOM 451 CD GLU A 31 12.958 -7.082 11.091 1.00 0.00 C ATOM 452 OE1 GLU A 31 13.907 -7.848 11.361 1.00 0.00 O ATOM 453 OE2 GLU A 31 11.743 -7.372 11.135 1.00 0.00 O ATOM 0 H GLU A 31 15.032 -3.591 10.370 1.00 0.00 H new ATOM 0 HA GLU A 31 15.896 -6.170 10.345 1.00 0.00 H new ATOM 0 HB2 GLU A 31 13.710 -4.864 8.697 1.00 0.00 H new ATOM 0 HB3 GLU A 31 13.924 -6.599 8.822 1.00 0.00 H new ATOM 0 HG2 GLU A 31 13.916 -5.181 11.441 1.00 0.00 H new ATOM 0 HG3 GLU A 31 12.406 -5.065 10.559 1.00 0.00 H new ATOM 460 N GLN A 32 16.629 -4.654 7.564 1.00 0.00 N ATOM 461 CA GLN A 32 17.380 -4.761 6.326 1.00 0.00 C ATOM 462 C GLN A 32 18.818 -5.196 6.611 1.00 0.00 C ATOM 463 O GLN A 32 19.252 -6.256 6.162 1.00 0.00 O ATOM 464 CB GLN A 32 17.350 -3.442 5.551 1.00 0.00 C ATOM 465 CG GLN A 32 17.349 -3.691 4.042 1.00 0.00 C ATOM 466 CD GLN A 32 17.173 -2.382 3.270 1.00 0.00 C ATOM 467 OE1 GLN A 32 18.089 -1.590 3.123 1.00 0.00 O ATOM 468 NE2 GLN A 32 15.947 -2.200 2.786 1.00 0.00 N ATOM 0 H GLN A 32 16.318 -3.710 7.794 1.00 0.00 H new ATOM 0 HA GLN A 32 16.909 -5.522 5.704 1.00 0.00 H new ATOM 0 HB2 GLN A 32 16.463 -2.873 5.830 1.00 0.00 H new ATOM 0 HB3 GLN A 32 18.215 -2.837 5.823 1.00 0.00 H new ATOM 0 HG2 GLN A 32 18.284 -4.168 3.748 1.00 0.00 H new ATOM 0 HG3 GLN A 32 16.545 -4.380 3.784 1.00 0.00 H new ATOM 0 HE21 GLN A 32 15.226 -2.904 2.946 1.00 0.00 H new ATOM 0 HE22 GLN A 32 15.728 -1.357 2.255 1.00 0.00 H new ATOM 477 N ALA A 33 19.520 -4.356 7.359 1.00 0.00 N ATOM 478 CA ALA A 33 20.900 -4.641 7.711 1.00 0.00 C ATOM 479 C ALA A 33 20.942 -5.830 8.673 1.00 0.00 C ATOM 480 O ALA A 33 22.012 -6.363 8.962 1.00 0.00 O ATOM 481 CB ALA A 33 21.545 -3.388 8.306 1.00 0.00 C ATOM 0 H ALA A 33 19.158 -3.478 7.731 1.00 0.00 H new ATOM 0 HA ALA A 33 21.473 -4.913 6.825 1.00 0.00 H new ATOM 0 HB1 ALA A 33 22.581 -3.602 8.570 1.00 0.00 H new ATOM 0 HB2 ALA A 33 21.517 -2.581 7.573 1.00 0.00 H new ATOM 0 HB3 ALA A 33 20.998 -3.086 9.199 1.00 0.00 H new ATOM 487 N ALA A 34 19.763 -6.213 9.142 1.00 0.00 N ATOM 488 CA ALA A 34 19.652 -7.329 10.065 1.00 0.00 C ATOM 489 C ALA A 34 19.878 -8.639 9.305 1.00 0.00 C ATOM 490 O ALA A 34 20.370 -9.613 9.873 1.00 0.00 O ATOM 491 CB ALA A 34 18.288 -7.286 10.756 1.00 0.00 C ATOM 0 H ALA A 34 18.877 -5.770 8.900 1.00 0.00 H new ATOM 0 HA ALA A 34 20.414 -7.262 10.841 1.00 0.00 H new ATOM 0 HB1 ALA A 34 18.204 -8.123 11.449 1.00 0.00 H new ATOM 0 HB2 ALA A 34 18.188 -6.350 11.305 1.00 0.00 H new ATOM 0 HB3 ALA A 34 17.499 -7.354 10.007 1.00 0.00 H new ATOM 497 N GLY A 35 19.508 -8.619 8.033 1.00 0.00 N ATOM 498 CA GLY A 35 19.664 -9.792 7.190 1.00 0.00 C ATOM 499 C GLY A 35 18.681 -9.761 6.018 1.00 0.00 C ATOM 500 O GLY A 35 19.009 -10.196 4.917 1.00 0.00 O ATOM 0 H GLY A 35 19.101 -7.809 7.566 1.00 0.00 H new ATOM 0 HA2 GLY A 35 20.685 -9.839 6.811 1.00 0.00 H new ATOM 0 HA3 GLY A 35 19.502 -10.693 7.781 1.00 0.00 H new ATOM 504 N SER A 36 17.494 -9.241 6.297 1.00 0.00 N ATOM 505 CA SER A 36 16.461 -9.147 5.281 1.00 0.00 C ATOM 506 C SER A 36 15.149 -8.671 5.910 1.00 0.00 C ATOM 507 O SER A 36 14.670 -9.261 6.877 1.00 0.00 O ATOM 508 CB SER A 36 16.254 -10.491 4.579 1.00 0.00 C ATOM 509 OG SER A 36 17.009 -10.585 3.374 1.00 0.00 O ATOM 0 H SER A 36 17.226 -8.881 7.213 1.00 0.00 H new ATOM 0 HA SER A 36 16.783 -8.422 4.533 1.00 0.00 H new ATOM 0 HB2 SER A 36 16.542 -11.299 5.251 1.00 0.00 H new ATOM 0 HB3 SER A 36 15.196 -10.624 4.355 1.00 0.00 H new ATOM 0 HG SER A 36 17.966 -10.566 3.585 1.00 0.00 H new ATOM 515 N VAL A 37 14.607 -7.607 5.335 1.00 0.00 N ATOM 516 CA VAL A 37 13.361 -7.044 5.828 1.00 0.00 C ATOM 517 C VAL A 37 12.244 -8.079 5.676 1.00 0.00 C ATOM 518 O VAL A 37 12.077 -8.664 4.607 1.00 0.00 O ATOM 519 CB VAL A 37 13.060 -5.729 5.106 1.00 0.00 C ATOM 520 CG1 VAL A 37 11.638 -5.251 5.409 1.00 0.00 C ATOM 521 CG2 VAL A 37 14.088 -4.656 5.471 1.00 0.00 C ATOM 0 H VAL A 37 15.008 -7.120 4.533 1.00 0.00 H new ATOM 0 HA VAL A 37 13.442 -6.806 6.889 1.00 0.00 H new ATOM 0 HB VAL A 37 13.131 -5.911 4.034 1.00 0.00 H new ATOM 0 HG11 VAL A 37 11.449 -4.315 4.884 1.00 0.00 H new ATOM 0 HG12 VAL A 37 10.923 -6.004 5.077 1.00 0.00 H new ATOM 0 HG13 VAL A 37 11.528 -5.094 6.482 1.00 0.00 H new ATOM 0 HG21 VAL A 37 13.851 -3.731 4.945 1.00 0.00 H new ATOM 0 HG22 VAL A 37 14.062 -4.478 6.546 1.00 0.00 H new ATOM 0 HG23 VAL A 37 15.084 -4.993 5.183 1.00 0.00 H new ATOM 531 N SER A 38 11.508 -8.272 6.761 1.00 0.00 N ATOM 532 CA SER A 38 10.412 -9.226 6.761 1.00 0.00 C ATOM 533 C SER A 38 9.187 -8.614 6.080 1.00 0.00 C ATOM 534 O SER A 38 8.977 -7.404 6.140 1.00 0.00 O ATOM 535 CB SER A 38 10.064 -9.664 8.185 1.00 0.00 C ATOM 536 OG SER A 38 11.181 -10.243 8.854 1.00 0.00 O ATOM 0 H SER A 38 11.649 -7.784 7.646 1.00 0.00 H new ATOM 0 HA SER A 38 10.726 -10.109 6.205 1.00 0.00 H new ATOM 0 HB2 SER A 38 9.708 -8.804 8.752 1.00 0.00 H new ATOM 0 HB3 SER A 38 9.247 -10.385 8.153 1.00 0.00 H new ATOM 0 HG SER A 38 10.918 -10.508 9.760 1.00 0.00 H new ATOM 542 N LYS A 39 8.408 -9.480 5.445 1.00 0.00 N ATOM 543 CA LYS A 39 7.210 -9.040 4.753 1.00 0.00 C ATOM 544 C LYS A 39 6.413 -8.105 5.665 1.00 0.00 C ATOM 545 O LYS A 39 6.020 -7.014 5.251 1.00 0.00 O ATOM 546 CB LYS A 39 6.407 -10.244 4.253 1.00 0.00 C ATOM 547 CG LYS A 39 6.206 -11.269 5.370 1.00 0.00 C ATOM 548 CD LYS A 39 6.414 -12.693 4.852 1.00 0.00 C ATOM 549 CE LYS A 39 5.101 -13.287 4.337 1.00 0.00 C ATOM 550 NZ LYS A 39 5.334 -14.063 3.098 1.00 0.00 N ATOM 0 H LYS A 39 8.585 -10.483 5.396 1.00 0.00 H new ATOM 0 HA LYS A 39 7.473 -8.469 3.862 1.00 0.00 H new ATOM 0 HB2 LYS A 39 5.438 -9.911 3.881 1.00 0.00 H new ATOM 0 HB3 LYS A 39 6.926 -10.710 3.416 1.00 0.00 H new ATOM 0 HG2 LYS A 39 6.904 -11.068 6.182 1.00 0.00 H new ATOM 0 HG3 LYS A 39 5.201 -11.171 5.782 1.00 0.00 H new ATOM 0 HD2 LYS A 39 7.154 -12.688 4.051 1.00 0.00 H new ATOM 0 HD3 LYS A 39 6.812 -13.319 5.650 1.00 0.00 H new ATOM 0 HE2 LYS A 39 4.663 -13.931 5.099 1.00 0.00 H new ATOM 0 HE3 LYS A 39 4.385 -12.488 4.144 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 4.744 -14.919 3.108 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 5.086 -13.481 2.272 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 6.336 -14.334 3.042 1.00 0.00 H new ATOM 564 N SER A 40 6.197 -8.566 6.888 1.00 0.00 N ATOM 565 CA SER A 40 5.454 -7.784 7.862 1.00 0.00 C ATOM 566 C SER A 40 5.856 -6.310 7.766 1.00 0.00 C ATOM 567 O SER A 40 5.030 -5.459 7.443 1.00 0.00 O ATOM 568 CB SER A 40 5.687 -8.307 9.281 1.00 0.00 C ATOM 569 OG SER A 40 5.361 -9.688 9.401 1.00 0.00 O ATOM 0 H SER A 40 6.523 -9.471 7.227 1.00 0.00 H new ATOM 0 HA SER A 40 4.391 -7.879 7.639 1.00 0.00 H new ATOM 0 HB2 SER A 40 6.731 -8.156 9.556 1.00 0.00 H new ATOM 0 HB3 SER A 40 5.085 -7.730 9.983 1.00 0.00 H new ATOM 0 HG SER A 40 5.525 -9.984 10.321 1.00 0.00 H new ATOM 575 N THR A 41 7.123 -6.055 8.053 1.00 0.00 N ATOM 576 CA THR A 41 7.644 -4.699 8.004 1.00 0.00 C ATOM 577 C THR A 41 7.360 -4.069 6.640 1.00 0.00 C ATOM 578 O THR A 41 6.860 -2.948 6.562 1.00 0.00 O ATOM 579 CB THR A 41 9.133 -4.752 8.351 1.00 0.00 C ATOM 580 OG1 THR A 41 9.155 -5.086 9.736 1.00 0.00 O ATOM 581 CG2 THR A 41 9.798 -3.375 8.289 1.00 0.00 C ATOM 0 H THR A 41 7.805 -6.764 8.321 1.00 0.00 H new ATOM 0 HA THR A 41 7.149 -4.058 8.733 1.00 0.00 H new ATOM 0 HB THR A 41 9.641 -5.432 7.667 1.00 0.00 H new ATOM 0 HG1 THR A 41 10.084 -5.143 10.044 1.00 0.00 H new ATOM 0 HG21 THR A 41 10.854 -3.469 8.544 1.00 0.00 H new ATOM 0 HG22 THR A 41 9.702 -2.970 7.282 1.00 0.00 H new ATOM 0 HG23 THR A 41 9.312 -2.704 8.997 1.00 0.00 H new ATOM 589 N GLN A 42 7.692 -4.817 5.597 1.00 0.00 N ATOM 590 CA GLN A 42 7.478 -4.345 4.240 1.00 0.00 C ATOM 591 C GLN A 42 6.054 -3.810 4.081 1.00 0.00 C ATOM 592 O GLN A 42 5.856 -2.616 3.859 1.00 0.00 O ATOM 593 CB GLN A 42 7.764 -5.452 3.223 1.00 0.00 C ATOM 594 CG GLN A 42 8.004 -4.869 1.830 1.00 0.00 C ATOM 595 CD GLN A 42 8.763 -5.858 0.943 1.00 0.00 C ATOM 596 OE1 GLN A 42 9.598 -6.622 1.397 1.00 0.00 O ATOM 597 NE2 GLN A 42 8.426 -5.803 -0.342 1.00 0.00 N ATOM 0 H GLN A 42 8.107 -5.746 5.665 1.00 0.00 H new ATOM 0 HA GLN A 42 8.175 -3.529 4.047 1.00 0.00 H new ATOM 0 HB2 GLN A 42 8.638 -6.023 3.538 1.00 0.00 H new ATOM 0 HB3 GLN A 42 6.925 -6.146 3.191 1.00 0.00 H new ATOM 0 HG2 GLN A 42 7.049 -4.619 1.367 1.00 0.00 H new ATOM 0 HG3 GLN A 42 8.570 -3.941 1.913 1.00 0.00 H new ATOM 0 HE21 GLN A 42 7.718 -5.139 -0.656 1.00 0.00 H new ATOM 0 HE22 GLN A 42 8.875 -6.425 -1.014 1.00 0.00 H new ATOM 606 N PHE A 43 5.097 -4.719 4.201 1.00 0.00 N ATOM 607 CA PHE A 43 3.696 -4.353 4.074 1.00 0.00 C ATOM 608 C PHE A 43 3.328 -3.241 5.059 1.00 0.00 C ATOM 609 O PHE A 43 2.521 -2.369 4.743 1.00 0.00 O ATOM 610 CB PHE A 43 2.877 -5.602 4.405 1.00 0.00 C ATOM 611 CG PHE A 43 1.459 -5.303 4.900 1.00 0.00 C ATOM 612 CD1 PHE A 43 1.230 -5.097 6.224 1.00 0.00 C ATOM 613 CD2 PHE A 43 0.429 -5.243 4.014 1.00 0.00 C ATOM 614 CE1 PHE A 43 -0.085 -4.820 6.683 1.00 0.00 C ATOM 615 CE2 PHE A 43 -0.886 -4.965 4.473 1.00 0.00 C ATOM 616 CZ PHE A 43 -1.115 -4.759 5.797 1.00 0.00 C ATOM 0 H PHE A 43 5.264 -5.708 4.385 1.00 0.00 H new ATOM 0 HA PHE A 43 3.496 -3.990 3.066 1.00 0.00 H new ATOM 0 HB2 PHE A 43 2.816 -6.230 3.516 1.00 0.00 H new ATOM 0 HB3 PHE A 43 3.403 -6.178 5.167 1.00 0.00 H new ATOM 0 HD1 PHE A 43 2.048 -5.144 6.927 1.00 0.00 H new ATOM 0 HD2 PHE A 43 0.611 -5.407 2.962 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -0.267 -4.658 7.735 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -1.704 -4.917 3.770 1.00 0.00 H new ATOM 0 HZ PHE A 43 -2.115 -4.547 6.145 1.00 0.00 H new ATOM 626 N GLU A 44 3.941 -3.307 6.233 1.00 0.00 N ATOM 627 CA GLU A 44 3.687 -2.316 7.265 1.00 0.00 C ATOM 628 C GLU A 44 4.156 -0.935 6.802 1.00 0.00 C ATOM 629 O GLU A 44 3.339 -0.071 6.488 1.00 0.00 O ATOM 630 CB GLU A 44 4.361 -2.712 8.580 1.00 0.00 C ATOM 631 CG GLU A 44 3.502 -3.711 9.358 1.00 0.00 C ATOM 632 CD GLU A 44 4.175 -4.106 10.674 1.00 0.00 C ATOM 633 OE1 GLU A 44 5.359 -4.501 10.609 1.00 0.00 O ATOM 634 OE2 GLU A 44 3.491 -4.003 11.715 1.00 0.00 O ATOM 0 H GLU A 44 4.612 -4.031 6.492 1.00 0.00 H new ATOM 0 HA GLU A 44 2.613 -2.271 7.444 1.00 0.00 H new ATOM 0 HB2 GLU A 44 5.338 -3.150 8.375 1.00 0.00 H new ATOM 0 HB3 GLU A 44 4.531 -1.823 9.187 1.00 0.00 H new ATOM 0 HG2 GLU A 44 2.525 -3.274 9.562 1.00 0.00 H new ATOM 0 HG3 GLU A 44 3.333 -4.600 8.751 1.00 0.00 H new ATOM 641 N TYR A 45 5.471 -0.770 6.774 1.00 0.00 N ATOM 642 CA TYR A 45 6.059 0.490 6.355 1.00 0.00 C ATOM 643 C TYR A 45 5.435 0.977 5.046 1.00 0.00 C ATOM 644 O TYR A 45 5.101 2.153 4.913 1.00 0.00 O ATOM 645 CB TYR A 45 7.544 0.207 6.125 1.00 0.00 C ATOM 646 CG TYR A 45 8.307 1.369 5.485 1.00 0.00 C ATOM 647 CD1 TYR A 45 8.286 2.616 6.076 1.00 0.00 C ATOM 648 CD2 TYR A 45 9.016 1.169 4.318 1.00 0.00 C ATOM 649 CE1 TYR A 45 9.004 3.710 5.473 1.00 0.00 C ATOM 650 CE2 TYR A 45 9.734 2.263 3.716 1.00 0.00 C ATOM 651 CZ TYR A 45 9.692 3.479 4.323 1.00 0.00 C ATOM 652 OH TYR A 45 10.371 4.512 3.755 1.00 0.00 O ATOM 0 H TYR A 45 6.146 -1.489 7.035 1.00 0.00 H new ATOM 0 HA TYR A 45 5.893 1.260 7.108 1.00 0.00 H new ATOM 0 HB2 TYR A 45 8.009 -0.037 7.080 1.00 0.00 H new ATOM 0 HB3 TYR A 45 7.641 -0.673 5.489 1.00 0.00 H new ATOM 0 HD1 TYR A 45 7.732 2.772 6.990 1.00 0.00 H new ATOM 0 HD2 TYR A 45 9.032 0.193 3.856 1.00 0.00 H new ATOM 0 HE1 TYR A 45 8.996 4.691 5.924 1.00 0.00 H new ATOM 0 HE2 TYR A 45 10.293 2.121 2.803 1.00 0.00 H new ATOM 0 HH TYR A 45 10.455 5.243 4.402 1.00 0.00 H new ATOM 662 N ALA A 46 5.298 0.047 4.111 1.00 0.00 N ATOM 663 CA ALA A 46 4.719 0.367 2.817 1.00 0.00 C ATOM 664 C ALA A 46 3.349 1.015 3.021 1.00 0.00 C ATOM 665 O ALA A 46 3.114 2.135 2.567 1.00 0.00 O ATOM 666 CB ALA A 46 4.643 -0.902 1.964 1.00 0.00 C ATOM 0 H ALA A 46 5.578 -0.927 4.224 1.00 0.00 H new ATOM 0 HA ALA A 46 5.345 1.082 2.283 1.00 0.00 H new ATOM 0 HB1 ALA A 46 4.209 -0.662 0.993 1.00 0.00 H new ATOM 0 HB2 ALA A 46 5.645 -1.306 1.823 1.00 0.00 H new ATOM 0 HB3 ALA A 46 4.021 -1.642 2.467 1.00 0.00 H new ATOM 672 N TRP A 47 2.479 0.284 3.703 1.00 0.00 N ATOM 673 CA TRP A 47 1.139 0.776 3.973 1.00 0.00 C ATOM 674 C TRP A 47 1.262 2.133 4.667 1.00 0.00 C ATOM 675 O TRP A 47 0.433 3.017 4.460 1.00 0.00 O ATOM 676 CB TRP A 47 0.336 -0.242 4.787 1.00 0.00 C ATOM 677 CG TRP A 47 -1.021 0.276 5.266 1.00 0.00 C ATOM 678 CD1 TRP A 47 -1.508 0.285 6.515 1.00 0.00 C ATOM 679 CD2 TRP A 47 -2.055 0.864 4.447 1.00 0.00 C ATOM 680 NE1 TRP A 47 -2.774 0.834 6.560 1.00 0.00 N ATOM 681 CE2 TRP A 47 -3.116 1.196 5.263 1.00 0.00 C ATOM 682 CE3 TRP A 47 -2.090 1.107 3.062 1.00 0.00 C ATOM 683 CZ2 TRP A 47 -4.292 1.791 4.788 1.00 0.00 C ATOM 684 CZ3 TRP A 47 -3.272 1.700 2.603 1.00 0.00 C ATOM 685 CH2 TRP A 47 -4.350 2.041 3.412 1.00 0.00 C ATOM 0 H TRP A 47 2.676 -0.645 4.076 1.00 0.00 H new ATOM 0 HA TRP A 47 0.584 0.911 3.045 1.00 0.00 H new ATOM 0 HB2 TRP A 47 0.179 -1.134 4.181 1.00 0.00 H new ATOM 0 HB3 TRP A 47 0.924 -0.544 5.653 1.00 0.00 H new ATOM 0 HD1 TRP A 47 -0.977 -0.090 7.377 1.00 0.00 H new ATOM 0 HE1 TRP A 47 -3.352 0.952 7.392 1.00 0.00 H new ATOM 0 HE3 TRP A 47 -1.270 0.856 2.405 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 -5.109 2.043 5.448 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 -3.352 1.907 1.546 1.00 0.00 H new ATOM 0 HH2 TRP A 47 -5.229 2.497 2.980 1.00 0.00 H new ATOM 696 N CYS A 48 2.304 2.255 5.476 1.00 0.00 N ATOM 697 CA CYS A 48 2.547 3.490 6.203 1.00 0.00 C ATOM 698 C CYS A 48 2.859 4.591 5.186 1.00 0.00 C ATOM 699 O CYS A 48 2.395 5.722 5.328 1.00 0.00 O ATOM 700 CB CYS A 48 3.666 3.330 7.232 1.00 0.00 C ATOM 701 SG CYS A 48 2.953 2.994 8.884 1.00 0.00 S ATOM 0 H CYS A 48 2.990 1.519 5.644 1.00 0.00 H new ATOM 0 HA CYS A 48 1.658 3.762 6.771 1.00 0.00 H new ATOM 0 HB2 CYS A 48 4.327 2.514 6.939 1.00 0.00 H new ATOM 0 HB3 CYS A 48 4.273 4.235 7.266 1.00 0.00 H new ATOM 0 HG CYS A 48 3.898 2.629 9.699 1.00 0.00 H new ATOM 707 N LEU A 49 3.643 4.222 4.184 1.00 0.00 N ATOM 708 CA LEU A 49 4.024 5.164 3.145 1.00 0.00 C ATOM 709 C LEU A 49 2.764 5.687 2.452 1.00 0.00 C ATOM 710 O LEU A 49 2.456 6.875 2.530 1.00 0.00 O ATOM 711 CB LEU A 49 5.033 4.528 2.188 1.00 0.00 C ATOM 712 CG LEU A 49 6.509 4.737 2.533 1.00 0.00 C ATOM 713 CD1 LEU A 49 7.403 3.818 1.698 1.00 0.00 C ATOM 714 CD2 LEU A 49 6.903 6.208 2.387 1.00 0.00 C ATOM 0 H LEU A 49 4.025 3.283 4.069 1.00 0.00 H new ATOM 0 HA LEU A 49 4.532 6.025 3.579 1.00 0.00 H new ATOM 0 HB2 LEU A 49 4.838 3.456 2.146 1.00 0.00 H new ATOM 0 HB3 LEU A 49 4.855 4.924 1.188 1.00 0.00 H new ATOM 0 HG LEU A 49 6.657 4.466 3.578 1.00 0.00 H new ATOM 0 HD11 LEU A 49 8.447 3.987 1.963 1.00 0.00 H new ATOM 0 HD12 LEU A 49 7.142 2.778 1.896 1.00 0.00 H new ATOM 0 HD13 LEU A 49 7.258 4.033 0.639 1.00 0.00 H new ATOM 0 HD21 LEU A 49 7.957 6.329 2.638 1.00 0.00 H new ATOM 0 HD22 LEU A 49 6.736 6.529 1.359 1.00 0.00 H new ATOM 0 HD23 LEU A 49 6.298 6.815 3.060 1.00 0.00 H new ATOM 726 N VAL A 50 2.070 4.774 1.789 1.00 0.00 N ATOM 727 CA VAL A 50 0.851 5.129 1.082 1.00 0.00 C ATOM 728 C VAL A 50 -0.060 5.930 2.015 1.00 0.00 C ATOM 729 O VAL A 50 -0.725 6.870 1.582 1.00 0.00 O ATOM 730 CB VAL A 50 0.181 3.869 0.530 1.00 0.00 C ATOM 731 CG1 VAL A 50 0.986 3.284 -0.632 1.00 0.00 C ATOM 732 CG2 VAL A 50 -0.024 2.828 1.633 1.00 0.00 C ATOM 0 H VAL A 50 2.328 3.789 1.726 1.00 0.00 H new ATOM 0 HA VAL A 50 1.077 5.763 0.225 1.00 0.00 H new ATOM 0 HB VAL A 50 -0.800 4.152 0.149 1.00 0.00 H new ATOM 0 HG11 VAL A 50 0.488 2.389 -1.006 1.00 0.00 H new ATOM 0 HG12 VAL A 50 1.058 4.021 -1.432 1.00 0.00 H new ATOM 0 HG13 VAL A 50 1.987 3.025 -0.287 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -0.502 1.943 1.213 1.00 0.00 H new ATOM 0 HG22 VAL A 50 0.941 2.553 2.057 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -0.658 3.246 2.415 1.00 0.00 H new ATOM 742 N ARG A 51 -0.060 5.529 3.277 1.00 0.00 N ATOM 743 CA ARG A 51 -0.879 6.197 4.275 1.00 0.00 C ATOM 744 C ARG A 51 -0.470 7.667 4.398 1.00 0.00 C ATOM 745 O ARG A 51 -1.263 8.501 4.830 1.00 0.00 O ATOM 746 CB ARG A 51 -0.743 5.522 5.641 1.00 0.00 C ATOM 747 CG ARG A 51 -1.580 4.244 5.706 1.00 0.00 C ATOM 748 CD ARG A 51 -2.978 4.531 6.259 1.00 0.00 C ATOM 749 NE ARG A 51 -2.940 4.569 7.738 1.00 0.00 N ATOM 750 CZ ARG A 51 -3.988 4.889 8.509 1.00 0.00 C ATOM 751 NH1 ARG A 51 -5.162 5.200 7.945 1.00 0.00 N ATOM 752 NH2 ARG A 51 -3.861 4.896 9.843 1.00 0.00 N ATOM 0 H ARG A 51 0.494 4.750 3.632 1.00 0.00 H new ATOM 0 HA ARG A 51 -1.918 6.130 3.951 1.00 0.00 H new ATOM 0 HB2 ARG A 51 0.304 5.285 5.831 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -1.062 6.210 6.424 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -1.661 3.807 4.711 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -1.080 3.509 6.336 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -3.343 5.482 5.872 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -3.675 3.763 5.925 1.00 0.00 H new ATOM 0 HE ARG A 51 -2.060 4.337 8.199 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -5.258 5.193 6.930 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -5.961 5.444 8.531 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -2.967 4.658 10.271 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -4.659 5.140 10.430 1.00 0.00 H new ATOM 766 N SER A 52 0.767 7.938 4.008 1.00 0.00 N ATOM 767 CA SER A 52 1.290 9.293 4.070 1.00 0.00 C ATOM 768 C SER A 52 0.470 10.212 3.162 1.00 0.00 C ATOM 769 O SER A 52 -0.571 9.811 2.644 1.00 0.00 O ATOM 770 CB SER A 52 2.767 9.332 3.669 1.00 0.00 C ATOM 771 OG SER A 52 3.345 10.616 3.886 1.00 0.00 O ATOM 0 H SER A 52 1.422 7.244 3.648 1.00 0.00 H new ATOM 0 HA SER A 52 1.211 9.644 5.099 1.00 0.00 H new ATOM 0 HB2 SER A 52 3.318 8.585 4.241 1.00 0.00 H new ATOM 0 HB3 SER A 52 2.864 9.064 2.617 1.00 0.00 H new ATOM 0 HG SER A 52 3.010 10.988 4.729 1.00 0.00 H new ATOM 777 N LYS A 53 0.971 11.427 2.996 1.00 0.00 N ATOM 778 CA LYS A 53 0.298 12.407 2.159 1.00 0.00 C ATOM 779 C LYS A 53 1.167 12.710 0.937 1.00 0.00 C ATOM 780 O LYS A 53 0.728 13.394 0.014 1.00 0.00 O ATOM 781 CB LYS A 53 -0.070 13.647 2.976 1.00 0.00 C ATOM 782 CG LYS A 53 1.184 14.346 3.505 1.00 0.00 C ATOM 783 CD LYS A 53 1.449 15.646 2.743 1.00 0.00 C ATOM 784 CE LYS A 53 0.846 16.846 3.475 1.00 0.00 C ATOM 785 NZ LYS A 53 -0.211 17.477 2.653 1.00 0.00 N ATOM 0 H LYS A 53 1.835 11.756 3.427 1.00 0.00 H new ATOM 0 HA LYS A 53 -0.646 12.008 1.788 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -0.642 14.338 2.357 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -0.711 13.361 3.810 1.00 0.00 H new ATOM 0 HG2 LYS A 53 1.065 14.561 4.567 1.00 0.00 H new ATOM 0 HG3 LYS A 53 2.043 13.682 3.409 1.00 0.00 H new ATOM 0 HD2 LYS A 53 2.523 15.790 2.626 1.00 0.00 H new ATOM 0 HD3 LYS A 53 1.025 15.577 1.741 1.00 0.00 H new ATOM 0 HE2 LYS A 53 0.429 16.525 4.430 1.00 0.00 H new ATOM 0 HE3 LYS A 53 1.626 17.574 3.696 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -0.610 18.290 3.165 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 0.196 17.801 1.753 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -0.963 16.784 2.464 1.00 0.00 H new ATOM 799 N TYR A 54 2.384 12.188 0.971 1.00 0.00 N ATOM 800 CA TYR A 54 3.318 12.395 -0.121 1.00 0.00 C ATOM 801 C TYR A 54 3.019 11.447 -1.285 1.00 0.00 C ATOM 802 O TYR A 54 2.692 10.281 -1.073 1.00 0.00 O ATOM 803 CB TYR A 54 4.704 12.071 0.440 1.00 0.00 C ATOM 804 CG TYR A 54 5.402 13.262 1.100 1.00 0.00 C ATOM 805 CD1 TYR A 54 4.692 14.104 1.931 1.00 0.00 C ATOM 806 CD2 TYR A 54 6.741 13.495 0.863 1.00 0.00 C ATOM 807 CE1 TYR A 54 5.348 15.226 2.552 1.00 0.00 C ATOM 808 CE2 TYR A 54 7.398 14.616 1.484 1.00 0.00 C ATOM 809 CZ TYR A 54 6.669 15.425 2.297 1.00 0.00 C ATOM 810 OH TYR A 54 7.290 16.485 2.883 1.00 0.00 O ATOM 0 H TYR A 54 2.745 11.622 1.739 1.00 0.00 H new ATOM 0 HA TYR A 54 3.248 13.416 -0.497 1.00 0.00 H new ATOM 0 HB2 TYR A 54 4.610 11.267 1.170 1.00 0.00 H new ATOM 0 HB3 TYR A 54 5.333 11.696 -0.367 1.00 0.00 H new ATOM 0 HD1 TYR A 54 3.644 13.922 2.116 1.00 0.00 H new ATOM 0 HD2 TYR A 54 7.297 12.837 0.212 1.00 0.00 H new ATOM 0 HE1 TYR A 54 4.804 15.893 3.204 1.00 0.00 H new ATOM 0 HE2 TYR A 54 8.446 14.809 1.308 1.00 0.00 H new ATOM 0 HH TYR A 54 8.232 16.503 2.612 1.00 0.00 H new ATOM 820 N ASN A 55 3.142 11.984 -2.490 1.00 0.00 N ATOM 821 CA ASN A 55 2.890 11.200 -3.688 1.00 0.00 C ATOM 822 C ASN A 55 4.010 10.176 -3.868 1.00 0.00 C ATOM 823 O ASN A 55 3.750 9.011 -4.165 1.00 0.00 O ATOM 824 CB ASN A 55 2.858 12.090 -4.932 1.00 0.00 C ATOM 825 CG ASN A 55 1.521 12.826 -5.046 1.00 0.00 C ATOM 826 OD1 ASN A 55 0.460 12.282 -4.790 1.00 0.00 O ATOM 827 ND2 ASN A 55 1.632 14.090 -5.445 1.00 0.00 N ATOM 0 H ASN A 55 3.413 12.952 -2.663 1.00 0.00 H new ATOM 0 HA ASN A 55 1.924 10.708 -3.571 1.00 0.00 H new ATOM 0 HB2 ASN A 55 3.672 12.813 -4.887 1.00 0.00 H new ATOM 0 HB3 ASN A 55 3.020 11.482 -5.822 1.00 0.00 H new ATOM 0 HD21 ASN A 55 0.797 14.666 -5.553 1.00 0.00 H new ATOM 0 HD22 ASN A 55 2.552 14.483 -5.643 1.00 0.00 H new ATOM 834 N GLU A 56 5.235 10.646 -3.680 1.00 0.00 N ATOM 835 CA GLU A 56 6.397 9.784 -3.818 1.00 0.00 C ATOM 836 C GLU A 56 6.300 8.604 -2.851 1.00 0.00 C ATOM 837 O GLU A 56 6.375 7.448 -3.267 1.00 0.00 O ATOM 838 CB GLU A 56 7.692 10.570 -3.597 1.00 0.00 C ATOM 839 CG GLU A 56 7.909 11.596 -4.712 1.00 0.00 C ATOM 840 CD GLU A 56 9.399 11.794 -4.991 1.00 0.00 C ATOM 841 OE1 GLU A 56 10.003 10.852 -5.549 1.00 0.00 O ATOM 842 OE2 GLU A 56 9.902 12.883 -4.640 1.00 0.00 O ATOM 0 H GLU A 56 5.448 11.613 -3.433 1.00 0.00 H new ATOM 0 HA GLU A 56 6.417 9.394 -4.835 1.00 0.00 H new ATOM 0 HB2 GLU A 56 7.653 11.078 -2.633 1.00 0.00 H new ATOM 0 HB3 GLU A 56 8.537 9.883 -3.561 1.00 0.00 H new ATOM 0 HG2 GLU A 56 7.406 11.263 -5.620 1.00 0.00 H new ATOM 0 HG3 GLU A 56 7.459 12.547 -4.429 1.00 0.00 H new ATOM 849 N ASP A 57 6.135 8.933 -1.579 1.00 0.00 N ATOM 850 CA ASP A 57 6.027 7.915 -0.550 1.00 0.00 C ATOM 851 C ASP A 57 5.024 6.849 -0.995 1.00 0.00 C ATOM 852 O ASP A 57 5.265 5.655 -0.828 1.00 0.00 O ATOM 853 CB ASP A 57 5.528 8.512 0.768 1.00 0.00 C ATOM 854 CG ASP A 57 6.531 9.414 1.490 1.00 0.00 C ATOM 855 OD1 ASP A 57 7.272 10.124 0.777 1.00 0.00 O ATOM 856 OD2 ASP A 57 6.535 9.372 2.739 1.00 0.00 O ATOM 0 H ASP A 57 6.073 9.892 -1.237 1.00 0.00 H new ATOM 0 HA ASP A 57 7.017 7.484 -0.399 1.00 0.00 H new ATOM 0 HB2 ASP A 57 4.623 9.086 0.570 1.00 0.00 H new ATOM 0 HB3 ASP A 57 5.249 7.697 1.436 1.00 0.00 H new ATOM 861 N ILE A 58 3.918 7.320 -1.553 1.00 0.00 N ATOM 862 CA ILE A 58 2.877 6.423 -2.025 1.00 0.00 C ATOM 863 C ILE A 58 3.470 5.453 -3.049 1.00 0.00 C ATOM 864 O ILE A 58 3.623 4.266 -2.768 1.00 0.00 O ATOM 865 CB ILE A 58 1.682 7.219 -2.553 1.00 0.00 C ATOM 866 CG1 ILE A 58 0.960 7.944 -1.415 1.00 0.00 C ATOM 867 CG2 ILE A 58 0.735 6.323 -3.353 1.00 0.00 C ATOM 868 CD1 ILE A 58 0.072 9.066 -1.956 1.00 0.00 C ATOM 0 H ILE A 58 3.720 8.311 -1.689 1.00 0.00 H new ATOM 0 HA ILE A 58 2.491 5.822 -1.202 1.00 0.00 H new ATOM 0 HB ILE A 58 2.056 7.982 -3.236 1.00 0.00 H new ATOM 0 HG12 ILE A 58 0.353 7.234 -0.854 1.00 0.00 H new ATOM 0 HG13 ILE A 58 1.691 8.357 -0.720 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -0.105 6.914 -3.716 1.00 0.00 H new ATOM 0 HG22 ILE A 58 1.270 5.893 -4.200 1.00 0.00 H new ATOM 0 HG23 ILE A 58 0.365 5.522 -2.713 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -0.430 9.565 -1.127 1.00 0.00 H new ATOM 0 HD12 ILE A 58 0.685 9.787 -2.496 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -0.674 8.646 -2.631 1.00 0.00 H new ATOM 880 N ARG A 59 3.788 5.995 -4.215 1.00 0.00 N ATOM 881 CA ARG A 59 4.360 5.192 -5.282 1.00 0.00 C ATOM 882 C ARG A 59 5.324 4.153 -4.706 1.00 0.00 C ATOM 883 O ARG A 59 5.430 3.044 -5.227 1.00 0.00 O ATOM 884 CB ARG A 59 5.108 6.069 -6.289 1.00 0.00 C ATOM 885 CG ARG A 59 5.491 5.267 -7.535 1.00 0.00 C ATOM 886 CD ARG A 59 6.455 6.058 -8.422 1.00 0.00 C ATOM 887 NE ARG A 59 6.191 5.763 -9.846 1.00 0.00 N ATOM 888 CZ ARG A 59 5.072 6.121 -10.493 1.00 0.00 C ATOM 889 NH1 ARG A 59 4.109 6.790 -9.845 1.00 0.00 N ATOM 890 NH2 ARG A 59 4.918 5.811 -11.788 1.00 0.00 N ATOM 0 H ARG A 59 3.660 6.981 -4.444 1.00 0.00 H new ATOM 0 HA ARG A 59 3.541 4.687 -5.794 1.00 0.00 H new ATOM 0 HB2 ARG A 59 4.483 6.915 -6.574 1.00 0.00 H new ATOM 0 HB3 ARG A 59 6.006 6.478 -5.825 1.00 0.00 H new ATOM 0 HG2 ARG A 59 5.954 4.326 -7.238 1.00 0.00 H new ATOM 0 HG3 ARG A 59 4.594 5.016 -8.101 1.00 0.00 H new ATOM 0 HD2 ARG A 59 6.340 7.126 -8.236 1.00 0.00 H new ATOM 0 HD3 ARG A 59 7.485 5.801 -8.174 1.00 0.00 H new ATOM 0 HE ARG A 59 6.904 5.255 -10.369 1.00 0.00 H new ATOM 0 HH11 ARG A 59 4.227 7.027 -8.860 1.00 0.00 H new ATOM 0 HH12 ARG A 59 3.258 7.062 -10.337 1.00 0.00 H new ATOM 0 HH21 ARG A 59 5.652 5.303 -12.282 1.00 0.00 H new ATOM 0 HH22 ARG A 59 4.067 6.083 -12.280 1.00 0.00 H new ATOM 904 N ARG A 60 6.001 4.549 -3.638 1.00 0.00 N ATOM 905 CA ARG A 60 6.951 3.665 -2.985 1.00 0.00 C ATOM 906 C ARG A 60 6.220 2.504 -2.308 1.00 0.00 C ATOM 907 O ARG A 60 6.395 1.349 -2.689 1.00 0.00 O ATOM 908 CB ARG A 60 7.775 4.418 -1.939 1.00 0.00 C ATOM 909 CG ARG A 60 9.161 4.773 -2.485 1.00 0.00 C ATOM 910 CD ARG A 60 9.241 6.256 -2.854 1.00 0.00 C ATOM 911 NE ARG A 60 10.494 6.526 -3.592 1.00 0.00 N ATOM 912 CZ ARG A 60 10.640 6.354 -4.913 1.00 0.00 C ATOM 913 NH1 ARG A 60 9.612 5.910 -5.648 1.00 0.00 N ATOM 914 NH2 ARG A 60 11.815 6.625 -5.498 1.00 0.00 N ATOM 0 H ARG A 60 5.910 5.470 -3.209 1.00 0.00 H new ATOM 0 HA ARG A 60 7.623 3.278 -3.751 1.00 0.00 H new ATOM 0 HB2 ARG A 60 7.252 5.328 -1.645 1.00 0.00 H new ATOM 0 HB3 ARG A 60 7.879 3.806 -1.043 1.00 0.00 H new ATOM 0 HG2 ARG A 60 9.921 4.539 -1.739 1.00 0.00 H new ATOM 0 HG3 ARG A 60 9.377 4.164 -3.363 1.00 0.00 H new ATOM 0 HD2 ARG A 60 8.382 6.534 -3.465 1.00 0.00 H new ATOM 0 HD3 ARG A 60 9.202 6.866 -1.952 1.00 0.00 H new ATOM 0 HE ARG A 60 11.297 6.864 -3.062 1.00 0.00 H new ATOM 0 HH11 ARG A 60 8.718 5.703 -5.202 1.00 0.00 H new ATOM 0 HH12 ARG A 60 9.723 5.779 -6.653 1.00 0.00 H new ATOM 0 HH21 ARG A 60 12.598 6.962 -4.938 1.00 0.00 H new ATOM 0 HH22 ARG A 60 11.926 6.494 -6.503 1.00 0.00 H new ATOM 928 N GLY A 61 5.414 2.854 -1.315 1.00 0.00 N ATOM 929 CA GLY A 61 4.655 1.856 -0.581 1.00 0.00 C ATOM 930 C GLY A 61 4.036 0.829 -1.532 1.00 0.00 C ATOM 931 O GLY A 61 3.724 -0.290 -1.125 1.00 0.00 O ATOM 0 H GLY A 61 5.271 3.814 -1.002 1.00 0.00 H new ATOM 0 HA2 GLY A 61 5.306 1.350 0.132 1.00 0.00 H new ATOM 0 HA3 GLY A 61 3.869 2.343 -0.005 1.00 0.00 H new ATOM 935 N ILE A 62 3.879 1.244 -2.781 1.00 0.00 N ATOM 936 CA ILE A 62 3.305 0.375 -3.792 1.00 0.00 C ATOM 937 C ILE A 62 4.322 -0.704 -4.170 1.00 0.00 C ATOM 938 O ILE A 62 4.097 -1.887 -3.925 1.00 0.00 O ATOM 939 CB ILE A 62 2.806 1.195 -4.984 1.00 0.00 C ATOM 940 CG1 ILE A 62 1.804 2.260 -4.536 1.00 0.00 C ATOM 941 CG2 ILE A 62 2.231 0.287 -6.073 1.00 0.00 C ATOM 942 CD1 ILE A 62 1.383 3.146 -5.710 1.00 0.00 C ATOM 0 H ILE A 62 4.140 2.172 -3.115 1.00 0.00 H new ATOM 0 HA ILE A 62 2.428 -0.138 -3.398 1.00 0.00 H new ATOM 0 HB ILE A 62 3.658 1.718 -5.419 1.00 0.00 H new ATOM 0 HG12 ILE A 62 0.926 1.779 -4.105 1.00 0.00 H new ATOM 0 HG13 ILE A 62 2.247 2.875 -3.753 1.00 0.00 H new ATOM 0 HG21 ILE A 62 1.884 0.895 -6.908 1.00 0.00 H new ATOM 0 HG22 ILE A 62 3.004 -0.399 -6.420 1.00 0.00 H new ATOM 0 HG23 ILE A 62 1.395 -0.283 -5.667 1.00 0.00 H new ATOM 0 HD11 ILE A 62 0.670 3.895 -5.364 1.00 0.00 H new ATOM 0 HD12 ILE A 62 2.260 3.644 -6.123 1.00 0.00 H new ATOM 0 HD13 ILE A 62 0.918 2.532 -6.481 1.00 0.00 H new ATOM 954 N VAL A 63 5.420 -0.255 -4.760 1.00 0.00 N ATOM 955 CA VAL A 63 6.473 -1.166 -5.174 1.00 0.00 C ATOM 956 C VAL A 63 6.675 -2.230 -4.092 1.00 0.00 C ATOM 957 O VAL A 63 6.918 -3.395 -4.401 1.00 0.00 O ATOM 958 CB VAL A 63 7.750 -0.383 -5.488 1.00 0.00 C ATOM 959 CG1 VAL A 63 7.556 0.509 -6.717 1.00 0.00 C ATOM 960 CG2 VAL A 63 8.201 0.438 -4.279 1.00 0.00 C ATOM 0 H VAL A 63 5.603 0.728 -4.961 1.00 0.00 H new ATOM 0 HA VAL A 63 6.192 -1.683 -6.091 1.00 0.00 H new ATOM 0 HB VAL A 63 8.537 -1.101 -5.716 1.00 0.00 H new ATOM 0 HG11 VAL A 63 8.477 1.055 -6.919 1.00 0.00 H new ATOM 0 HG12 VAL A 63 7.303 -0.109 -7.579 1.00 0.00 H new ATOM 0 HG13 VAL A 63 6.749 1.217 -6.529 1.00 0.00 H new ATOM 0 HG21 VAL A 63 9.110 0.985 -4.529 1.00 0.00 H new ATOM 0 HG22 VAL A 63 7.417 1.144 -4.006 1.00 0.00 H new ATOM 0 HG23 VAL A 63 8.398 -0.229 -3.439 1.00 0.00 H new ATOM 970 N LEU A 64 6.568 -1.789 -2.848 1.00 0.00 N ATOM 971 CA LEU A 64 6.737 -2.688 -1.718 1.00 0.00 C ATOM 972 C LEU A 64 5.597 -3.709 -1.711 1.00 0.00 C ATOM 973 O LEU A 64 5.831 -4.908 -1.854 1.00 0.00 O ATOM 974 CB LEU A 64 6.862 -1.896 -0.416 1.00 0.00 C ATOM 975 CG LEU A 64 7.653 -0.589 -0.499 1.00 0.00 C ATOM 976 CD1 LEU A 64 7.854 0.019 0.890 1.00 0.00 C ATOM 977 CD2 LEU A 64 8.980 -0.797 -1.232 1.00 0.00 C ATOM 0 H LEU A 64 6.366 -0.821 -2.597 1.00 0.00 H new ATOM 0 HA LEU A 64 7.667 -3.248 -1.812 1.00 0.00 H new ATOM 0 HB2 LEU A 64 5.859 -1.668 -0.055 1.00 0.00 H new ATOM 0 HB3 LEU A 64 7.332 -2.535 0.331 1.00 0.00 H new ATOM 0 HG LEU A 64 7.072 0.126 -1.082 1.00 0.00 H new ATOM 0 HD11 LEU A 64 8.419 0.947 0.803 1.00 0.00 H new ATOM 0 HD12 LEU A 64 6.883 0.226 1.340 1.00 0.00 H new ATOM 0 HD13 LEU A 64 8.403 -0.682 1.518 1.00 0.00 H new ATOM 0 HD21 LEU A 64 9.523 0.147 -1.277 1.00 0.00 H new ATOM 0 HD22 LEU A 64 9.579 -1.535 -0.698 1.00 0.00 H new ATOM 0 HD23 LEU A 64 8.785 -1.152 -2.244 1.00 0.00 H new ATOM 989 N LEU A 65 4.387 -3.196 -1.541 1.00 0.00 N ATOM 990 CA LEU A 65 3.210 -4.047 -1.513 1.00 0.00 C ATOM 991 C LEU A 65 3.120 -4.829 -2.824 1.00 0.00 C ATOM 992 O LEU A 65 2.564 -5.926 -2.861 1.00 0.00 O ATOM 993 CB LEU A 65 1.959 -3.222 -1.202 1.00 0.00 C ATOM 994 CG LEU A 65 1.978 -2.450 0.119 1.00 0.00 C ATOM 995 CD1 LEU A 65 0.953 -1.313 0.103 1.00 0.00 C ATOM 996 CD2 LEU A 65 1.772 -3.390 1.308 1.00 0.00 C ATOM 0 H LEU A 65 4.197 -2.201 -1.421 1.00 0.00 H new ATOM 0 HA LEU A 65 3.289 -4.779 -0.709 1.00 0.00 H new ATOM 0 HB2 LEU A 65 1.805 -2.511 -2.014 1.00 0.00 H new ATOM 0 HB3 LEU A 65 1.098 -3.891 -1.197 1.00 0.00 H new ATOM 0 HG LEU A 65 2.962 -1.996 0.235 1.00 0.00 H new ATOM 0 HD11 LEU A 65 0.986 -0.780 1.053 1.00 0.00 H new ATOM 0 HD12 LEU A 65 1.187 -0.624 -0.708 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -0.045 -1.725 -0.047 1.00 0.00 H new ATOM 0 HD21 LEU A 65 1.790 -2.815 2.234 1.00 0.00 H new ATOM 0 HD22 LEU A 65 0.810 -3.893 1.212 1.00 0.00 H new ATOM 0 HD23 LEU A 65 2.569 -4.133 1.327 1.00 0.00 H new ATOM 1008 N GLU A 66 3.676 -4.235 -3.870 1.00 0.00 N ATOM 1009 CA GLU A 66 3.664 -4.863 -5.180 1.00 0.00 C ATOM 1010 C GLU A 66 4.559 -6.103 -5.183 1.00 0.00 C ATOM 1011 O GLU A 66 4.395 -6.991 -6.018 1.00 0.00 O ATOM 1012 CB GLU A 66 4.096 -3.874 -6.266 1.00 0.00 C ATOM 1013 CG GLU A 66 3.000 -2.841 -6.535 1.00 0.00 C ATOM 1014 CD GLU A 66 2.609 -2.829 -8.013 1.00 0.00 C ATOM 1015 OE1 GLU A 66 3.453 -2.383 -8.820 1.00 0.00 O ATOM 1016 OE2 GLU A 66 1.475 -3.266 -8.305 1.00 0.00 O ATOM 0 H GLU A 66 4.137 -3.326 -3.837 1.00 0.00 H new ATOM 0 HA GLU A 66 2.643 -5.175 -5.402 1.00 0.00 H new ATOM 0 HB2 GLU A 66 5.011 -3.367 -5.958 1.00 0.00 H new ATOM 0 HB3 GLU A 66 4.325 -4.414 -7.185 1.00 0.00 H new ATOM 0 HG2 GLU A 66 2.125 -3.067 -5.926 1.00 0.00 H new ATOM 0 HG3 GLU A 66 3.348 -1.851 -6.239 1.00 0.00 H new ATOM 1023 N GLU A 67 5.487 -6.126 -4.237 1.00 0.00 N ATOM 1024 CA GLU A 67 6.408 -7.244 -4.119 1.00 0.00 C ATOM 1025 C GLU A 67 5.855 -8.287 -3.146 1.00 0.00 C ATOM 1026 O GLU A 67 6.201 -9.464 -3.230 1.00 0.00 O ATOM 1027 CB GLU A 67 7.795 -6.768 -3.682 1.00 0.00 C ATOM 1028 CG GLU A 67 8.698 -6.527 -4.892 1.00 0.00 C ATOM 1029 CD GLU A 67 9.957 -7.395 -4.818 1.00 0.00 C ATOM 1030 OE1 GLU A 67 9.885 -8.540 -5.314 1.00 0.00 O ATOM 1031 OE2 GLU A 67 10.961 -6.893 -4.269 1.00 0.00 O ATOM 0 H GLU A 67 5.621 -5.388 -3.545 1.00 0.00 H new ATOM 0 HA GLU A 67 6.512 -7.709 -5.099 1.00 0.00 H new ATOM 0 HB2 GLU A 67 7.702 -5.849 -3.104 1.00 0.00 H new ATOM 0 HB3 GLU A 67 8.249 -7.512 -3.027 1.00 0.00 H new ATOM 0 HG2 GLU A 67 8.151 -6.750 -5.808 1.00 0.00 H new ATOM 0 HG3 GLU A 67 8.979 -5.475 -4.937 1.00 0.00 H new ATOM 1038 N LEU A 68 5.004 -7.817 -2.245 1.00 0.00 N ATOM 1039 CA LEU A 68 4.400 -8.696 -1.257 1.00 0.00 C ATOM 1040 C LEU A 68 3.240 -9.459 -1.901 1.00 0.00 C ATOM 1041 O LEU A 68 2.806 -10.487 -1.385 1.00 0.00 O ATOM 1042 CB LEU A 68 3.997 -7.903 -0.012 1.00 0.00 C ATOM 1043 CG LEU A 68 5.142 -7.258 0.772 1.00 0.00 C ATOM 1044 CD1 LEU A 68 4.613 -6.215 1.757 1.00 0.00 C ATOM 1045 CD2 LEU A 68 5.997 -8.319 1.466 1.00 0.00 C ATOM 0 H LEU A 68 4.719 -6.840 -2.178 1.00 0.00 H new ATOM 0 HA LEU A 68 5.121 -9.439 -0.916 1.00 0.00 H new ATOM 0 HB2 LEU A 68 3.303 -7.119 -0.314 1.00 0.00 H new ATOM 0 HB3 LEU A 68 3.454 -8.569 0.659 1.00 0.00 H new ATOM 0 HG LEU A 68 5.787 -6.736 0.066 1.00 0.00 H new ATOM 0 HD11 LEU A 68 5.447 -5.772 2.301 1.00 0.00 H new ATOM 0 HD12 LEU A 68 4.081 -5.436 1.211 1.00 0.00 H new ATOM 0 HD13 LEU A 68 3.933 -6.693 2.462 1.00 0.00 H new ATOM 0 HD21 LEU A 68 6.803 -7.834 2.016 1.00 0.00 H new ATOM 0 HD22 LEU A 68 5.378 -8.890 2.158 1.00 0.00 H new ATOM 0 HD23 LEU A 68 6.420 -8.991 0.719 1.00 0.00 H new ATOM 1057 N LEU A 69 2.772 -8.926 -3.020 1.00 0.00 N ATOM 1058 CA LEU A 69 1.671 -9.544 -3.740 1.00 0.00 C ATOM 1059 C LEU A 69 1.965 -11.033 -3.931 1.00 0.00 C ATOM 1060 O LEU A 69 1.243 -11.884 -3.414 1.00 0.00 O ATOM 1061 CB LEU A 69 1.400 -8.798 -5.048 1.00 0.00 C ATOM 1062 CG LEU A 69 0.124 -7.956 -5.088 1.00 0.00 C ATOM 1063 CD1 LEU A 69 -1.098 -8.795 -4.711 1.00 0.00 C ATOM 1064 CD2 LEU A 69 0.259 -6.713 -4.207 1.00 0.00 C ATOM 0 H LEU A 69 3.135 -8.073 -3.446 1.00 0.00 H new ATOM 0 HA LEU A 69 0.750 -9.472 -3.162 1.00 0.00 H new ATOM 0 HB2 LEU A 69 2.249 -8.146 -5.253 1.00 0.00 H new ATOM 0 HB3 LEU A 69 1.356 -9.528 -5.857 1.00 0.00 H new ATOM 0 HG LEU A 69 -0.025 -7.611 -6.111 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -1.992 -8.172 -4.747 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -1.203 -9.622 -5.414 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -0.971 -9.190 -3.703 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -0.662 -6.132 -4.254 1.00 0.00 H new ATOM 0 HD22 LEU A 69 0.445 -7.016 -3.177 1.00 0.00 H new ATOM 0 HD23 LEU A 69 1.090 -6.104 -4.562 1.00 0.00 H new ATOM 1076 N PRO A 70 3.056 -11.310 -4.695 1.00 0.00 N ATOM 1077 CA PRO A 70 3.455 -12.682 -4.960 1.00 0.00 C ATOM 1078 C PRO A 70 4.113 -13.310 -3.731 1.00 0.00 C ATOM 1079 O PRO A 70 4.179 -14.533 -3.614 1.00 0.00 O ATOM 1080 CB PRO A 70 4.389 -12.596 -6.156 1.00 0.00 C ATOM 1081 CG PRO A 70 4.846 -11.147 -6.224 1.00 0.00 C ATOM 1082 CD PRO A 70 3.935 -10.329 -5.323 1.00 0.00 C ATOM 0 HA PRO A 70 2.607 -13.331 -5.179 1.00 0.00 H new ATOM 0 HB2 PRO A 70 5.239 -13.268 -6.037 1.00 0.00 H new ATOM 0 HB3 PRO A 70 3.877 -12.888 -7.073 1.00 0.00 H new ATOM 0 HG2 PRO A 70 5.883 -11.058 -5.900 1.00 0.00 H new ATOM 0 HG3 PRO A 70 4.799 -10.780 -7.249 1.00 0.00 H new ATOM 0 HD2 PRO A 70 4.507 -9.776 -4.578 1.00 0.00 H new ATOM 0 HD3 PRO A 70 3.366 -9.597 -5.895 1.00 0.00 H new ATOM 1090 N LYS A 71 4.584 -12.444 -2.845 1.00 0.00 N ATOM 1091 CA LYS A 71 5.236 -12.899 -1.628 1.00 0.00 C ATOM 1092 C LYS A 71 4.252 -12.799 -0.461 1.00 0.00 C ATOM 1093 O LYS A 71 4.656 -12.564 0.677 1.00 0.00 O ATOM 1094 CB LYS A 71 6.540 -12.131 -1.400 1.00 0.00 C ATOM 1095 CG LYS A 71 7.535 -12.394 -2.532 1.00 0.00 C ATOM 1096 CD LYS A 71 8.897 -11.769 -2.221 1.00 0.00 C ATOM 1097 CE LYS A 71 9.963 -12.261 -3.202 1.00 0.00 C ATOM 1098 NZ LYS A 71 11.178 -11.421 -3.110 1.00 0.00 N ATOM 0 H LYS A 71 4.527 -11.431 -2.945 1.00 0.00 H new ATOM 0 HA LYS A 71 5.521 -13.947 -1.717 1.00 0.00 H new ATOM 0 HB2 LYS A 71 6.331 -11.063 -1.335 1.00 0.00 H new ATOM 0 HB3 LYS A 71 6.980 -12.428 -0.448 1.00 0.00 H new ATOM 0 HG2 LYS A 71 7.649 -13.468 -2.679 1.00 0.00 H new ATOM 0 HG3 LYS A 71 7.147 -11.984 -3.465 1.00 0.00 H new ATOM 0 HD2 LYS A 71 8.823 -10.683 -2.273 1.00 0.00 H new ATOM 0 HD3 LYS A 71 9.192 -12.020 -1.202 1.00 0.00 H new ATOM 0 HE2 LYS A 71 10.214 -13.299 -2.985 1.00 0.00 H new ATOM 0 HE3 LYS A 71 9.571 -12.234 -4.219 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 11.892 -11.768 -3.782 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 10.937 -10.436 -3.339 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 11.560 -11.468 -2.144 1.00 0.00 H new ATOM 1112 N GLY A 72 2.980 -12.984 -0.782 1.00 0.00 N ATOM 1113 CA GLY A 72 1.936 -12.917 0.225 1.00 0.00 C ATOM 1114 C GLY A 72 1.495 -14.319 0.651 1.00 0.00 C ATOM 1115 O GLY A 72 2.326 -15.155 1.003 1.00 0.00 O ATOM 0 H GLY A 72 2.649 -13.180 -1.727 1.00 0.00 H new ATOM 0 HA2 GLY A 72 2.298 -12.366 1.093 1.00 0.00 H new ATOM 0 HA3 GLY A 72 1.081 -12.367 -0.168 1.00 0.00 H new ATOM 1119 N SER A 73 0.188 -14.533 0.603 1.00 0.00 N ATOM 1120 CA SER A 73 -0.373 -15.820 0.979 1.00 0.00 C ATOM 1121 C SER A 73 -1.756 -15.993 0.347 1.00 0.00 C ATOM 1122 O SER A 73 -1.874 -16.513 -0.762 1.00 0.00 O ATOM 1123 CB SER A 73 -0.465 -15.958 2.501 1.00 0.00 C ATOM 1124 OG SER A 73 -1.188 -17.122 2.889 1.00 0.00 O ATOM 0 H SER A 73 -0.498 -13.838 0.310 1.00 0.00 H new ATOM 0 HA SER A 73 0.290 -16.602 0.609 1.00 0.00 H new ATOM 0 HB2 SER A 73 0.539 -15.998 2.923 1.00 0.00 H new ATOM 0 HB3 SER A 73 -0.950 -15.075 2.916 1.00 0.00 H new ATOM 0 HG SER A 73 -1.223 -17.175 3.867 1.00 0.00 H new ATOM 1130 N LYS A 74 -2.765 -15.547 1.078 1.00 0.00 N ATOM 1131 CA LYS A 74 -4.135 -15.646 0.602 1.00 0.00 C ATOM 1132 C LYS A 74 -4.904 -14.387 1.011 1.00 0.00 C ATOM 1133 O LYS A 74 -5.207 -13.540 0.172 1.00 0.00 O ATOM 1134 CB LYS A 74 -4.779 -16.945 1.088 1.00 0.00 C ATOM 1135 CG LYS A 74 -5.966 -17.334 0.205 1.00 0.00 C ATOM 1136 CD LYS A 74 -5.525 -18.259 -0.932 1.00 0.00 C ATOM 1137 CE LYS A 74 -5.847 -17.644 -2.295 1.00 0.00 C ATOM 1138 NZ LYS A 74 -6.409 -18.666 -3.205 1.00 0.00 N ATOM 0 H LYS A 74 -2.663 -15.116 1.997 1.00 0.00 H new ATOM 0 HA LYS A 74 -4.158 -15.695 -0.487 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -4.039 -17.746 1.082 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -5.112 -16.826 2.119 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -6.725 -17.831 0.809 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -6.425 -16.436 -0.209 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -4.454 -18.447 -0.858 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -6.025 -19.223 -0.836 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -6.558 -16.827 -2.173 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -4.943 -17.218 -2.731 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -6.622 -18.232 -4.126 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -5.718 -19.432 -3.335 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -7.283 -19.053 -2.795 1.00 0.00 H new ATOM 1152 N GLU A 75 -5.200 -14.306 2.300 1.00 0.00 N ATOM 1153 CA GLU A 75 -5.929 -13.167 2.830 1.00 0.00 C ATOM 1154 C GLU A 75 -5.020 -11.937 2.891 1.00 0.00 C ATOM 1155 O GLU A 75 -5.461 -10.853 3.267 1.00 0.00 O ATOM 1156 CB GLU A 75 -6.515 -13.484 4.208 1.00 0.00 C ATOM 1157 CG GLU A 75 -7.546 -14.610 4.119 1.00 0.00 C ATOM 1158 CD GLU A 75 -8.905 -14.152 4.654 1.00 0.00 C ATOM 1159 OE1 GLU A 75 -8.948 -13.773 5.844 1.00 0.00 O ATOM 1160 OE2 GLU A 75 -9.870 -14.192 3.860 1.00 0.00 O ATOM 0 H GLU A 75 -4.948 -15.011 2.993 1.00 0.00 H new ATOM 0 HA GLU A 75 -6.760 -12.948 2.159 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -5.715 -13.772 4.890 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -6.982 -12.591 4.623 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -7.649 -14.933 3.083 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -7.199 -15.472 4.688 1.00 0.00 H new ATOM 1167 N GLU A 76 -3.767 -12.148 2.515 1.00 0.00 N ATOM 1168 CA GLU A 76 -2.793 -11.070 2.521 1.00 0.00 C ATOM 1169 C GLU A 76 -2.992 -10.167 1.303 1.00 0.00 C ATOM 1170 O GLU A 76 -3.186 -8.960 1.445 1.00 0.00 O ATOM 1171 CB GLU A 76 -1.366 -11.621 2.566 1.00 0.00 C ATOM 1172 CG GLU A 76 -1.037 -12.177 3.954 1.00 0.00 C ATOM 1173 CD GLU A 76 0.459 -12.468 4.087 1.00 0.00 C ATOM 1174 OE1 GLU A 76 0.926 -13.378 3.369 1.00 0.00 O ATOM 1175 OE2 GLU A 76 1.101 -11.772 4.903 1.00 0.00 O ATOM 0 H GLU A 76 -3.404 -13.049 2.204 1.00 0.00 H new ATOM 0 HA GLU A 76 -2.947 -10.474 3.420 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -1.252 -12.407 1.819 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -0.659 -10.832 2.309 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -1.341 -11.461 4.718 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -1.606 -13.090 4.128 1.00 0.00 H new ATOM 1182 N GLN A 77 -2.938 -10.785 0.132 1.00 0.00 N ATOM 1183 CA GLN A 77 -3.112 -10.051 -1.110 1.00 0.00 C ATOM 1184 C GLN A 77 -4.327 -9.126 -1.016 1.00 0.00 C ATOM 1185 O GLN A 77 -4.290 -7.995 -1.499 1.00 0.00 O ATOM 1186 CB GLN A 77 -3.241 -11.006 -2.298 1.00 0.00 C ATOM 1187 CG GLN A 77 -1.897 -11.662 -2.623 1.00 0.00 C ATOM 1188 CD GLN A 77 -1.897 -12.239 -4.041 1.00 0.00 C ATOM 1189 OE1 GLN A 77 -2.706 -11.886 -4.883 1.00 0.00 O ATOM 1190 NE2 GLN A 77 -0.948 -13.145 -4.255 1.00 0.00 N ATOM 0 H GLN A 77 -2.776 -11.786 0.017 1.00 0.00 H new ATOM 0 HA GLN A 77 -2.226 -9.438 -1.273 1.00 0.00 H new ATOM 0 HB2 GLN A 77 -3.980 -11.775 -2.072 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -3.604 -10.461 -3.169 1.00 0.00 H new ATOM 0 HG2 GLN A 77 -1.097 -10.928 -2.525 1.00 0.00 H new ATOM 0 HG3 GLN A 77 -1.692 -12.455 -1.904 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -0.303 -13.395 -3.505 1.00 0.00 H new ATOM 0 HE22 GLN A 77 -0.865 -13.591 -5.169 1.00 0.00 H new ATOM 1199 N ARG A 78 -5.375 -9.641 -0.390 1.00 0.00 N ATOM 1200 CA ARG A 78 -6.599 -8.875 -0.227 1.00 0.00 C ATOM 1201 C ARG A 78 -6.312 -7.565 0.508 1.00 0.00 C ATOM 1202 O ARG A 78 -6.959 -6.551 0.254 1.00 0.00 O ATOM 1203 CB ARG A 78 -7.646 -9.672 0.555 1.00 0.00 C ATOM 1204 CG ARG A 78 -8.303 -10.732 -0.331 1.00 0.00 C ATOM 1205 CD ARG A 78 -7.521 -12.046 -0.286 1.00 0.00 C ATOM 1206 NE ARG A 78 -8.421 -13.158 0.092 1.00 0.00 N ATOM 1207 CZ ARG A 78 -9.116 -13.894 -0.786 1.00 0.00 C ATOM 1208 NH1 ARG A 78 -9.018 -13.640 -2.098 1.00 0.00 N ATOM 1209 NH2 ARG A 78 -9.909 -14.883 -0.352 1.00 0.00 N ATOM 0 H ARG A 78 -5.402 -10.579 0.010 1.00 0.00 H new ATOM 0 HA ARG A 78 -6.990 -8.659 -1.221 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -7.176 -10.151 1.414 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -8.407 -8.996 0.944 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -9.328 -10.903 -0.001 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -8.355 -10.371 -1.358 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -7.072 -12.245 -1.259 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -6.704 -11.968 0.432 1.00 0.00 H new ATOM 0 HE ARG A 78 -8.519 -13.378 1.083 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -8.415 -12.887 -2.428 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -9.547 -14.200 -2.767 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -9.984 -15.076 0.647 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -10.438 -15.443 -1.020 1.00 0.00 H new ATOM 1223 N ASP A 79 -5.339 -7.628 1.406 1.00 0.00 N ATOM 1224 CA ASP A 79 -4.957 -6.460 2.179 1.00 0.00 C ATOM 1225 C ASP A 79 -3.957 -5.626 1.377 1.00 0.00 C ATOM 1226 O ASP A 79 -3.803 -4.430 1.620 1.00 0.00 O ATOM 1227 CB ASP A 79 -4.287 -6.863 3.494 1.00 0.00 C ATOM 1228 CG ASP A 79 -4.978 -6.346 4.758 1.00 0.00 C ATOM 1229 OD1 ASP A 79 -5.944 -5.570 4.599 1.00 0.00 O ATOM 1230 OD2 ASP A 79 -4.523 -6.739 5.855 1.00 0.00 O ATOM 0 H ASP A 79 -4.804 -8.471 1.615 1.00 0.00 H new ATOM 0 HA ASP A 79 -5.861 -5.890 2.394 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -4.241 -7.951 3.542 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -3.259 -6.501 3.486 1.00 0.00 H new ATOM 1235 N TYR A 80 -3.303 -6.290 0.436 1.00 0.00 N ATOM 1236 CA TYR A 80 -2.322 -5.625 -0.405 1.00 0.00 C ATOM 1237 C TYR A 80 -3.005 -4.796 -1.496 1.00 0.00 C ATOM 1238 O TYR A 80 -2.997 -3.567 -1.444 1.00 0.00 O ATOM 1239 CB TYR A 80 -1.507 -6.739 -1.064 1.00 0.00 C ATOM 1240 CG TYR A 80 -0.627 -7.525 -0.090 1.00 0.00 C ATOM 1241 CD1 TYR A 80 -0.392 -7.034 1.178 1.00 0.00 C ATOM 1242 CD2 TYR A 80 -0.068 -8.726 -0.480 1.00 0.00 C ATOM 1243 CE1 TYR A 80 0.436 -7.774 2.094 1.00 0.00 C ATOM 1244 CE2 TYR A 80 0.759 -9.466 0.437 1.00 0.00 C ATOM 1245 CZ TYR A 80 0.971 -8.953 1.679 1.00 0.00 C ATOM 1246 OH TYR A 80 1.754 -9.652 2.545 1.00 0.00 O ATOM 0 H TYR A 80 -3.433 -7.282 0.237 1.00 0.00 H new ATOM 0 HA TYR A 80 -1.705 -4.949 0.187 1.00 0.00 H new ATOM 0 HB2 TYR A 80 -2.189 -7.430 -1.560 1.00 0.00 H new ATOM 0 HB3 TYR A 80 -0.875 -6.304 -1.838 1.00 0.00 H new ATOM 0 HD1 TYR A 80 -0.829 -6.095 1.483 1.00 0.00 H new ATOM 0 HD2 TYR A 80 -0.251 -9.110 -1.473 1.00 0.00 H new ATOM 0 HE1 TYR A 80 0.628 -7.401 3.089 1.00 0.00 H new ATOM 0 HE2 TYR A 80 1.201 -10.407 0.146 1.00 0.00 H new ATOM 0 HH TYR A 80 1.869 -10.568 2.216 1.00 0.00 H new ATOM 1256 N VAL A 81 -3.581 -5.503 -2.457 1.00 0.00 N ATOM 1257 CA VAL A 81 -4.268 -4.848 -3.558 1.00 0.00 C ATOM 1258 C VAL A 81 -4.919 -3.560 -3.052 1.00 0.00 C ATOM 1259 O VAL A 81 -4.620 -2.473 -3.548 1.00 0.00 O ATOM 1260 CB VAL A 81 -5.268 -5.813 -4.198 1.00 0.00 C ATOM 1261 CG1 VAL A 81 -6.010 -5.144 -5.357 1.00 0.00 C ATOM 1262 CG2 VAL A 81 -4.574 -7.096 -4.660 1.00 0.00 C ATOM 0 H VAL A 81 -3.586 -6.522 -2.496 1.00 0.00 H new ATOM 0 HA VAL A 81 -3.561 -4.569 -4.339 1.00 0.00 H new ATOM 0 HB VAL A 81 -6.003 -6.084 -3.440 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -6.715 -5.851 -5.795 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -6.552 -4.273 -4.988 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -5.293 -4.830 -6.115 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -5.308 -7.764 -5.111 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -3.807 -6.851 -5.394 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -4.113 -7.589 -3.804 1.00 0.00 H new ATOM 1272 N PHE A 82 -5.796 -3.723 -2.074 1.00 0.00 N ATOM 1273 CA PHE A 82 -6.492 -2.584 -1.496 1.00 0.00 C ATOM 1274 C PHE A 82 -5.570 -1.367 -1.404 1.00 0.00 C ATOM 1275 O PHE A 82 -5.895 -0.298 -1.916 1.00 0.00 O ATOM 1276 CB PHE A 82 -6.923 -2.993 -0.086 1.00 0.00 C ATOM 1277 CG PHE A 82 -7.463 -1.837 0.758 1.00 0.00 C ATOM 1278 CD1 PHE A 82 -8.289 -0.914 0.199 1.00 0.00 C ATOM 1279 CD2 PHE A 82 -7.115 -1.733 2.070 1.00 0.00 C ATOM 1280 CE1 PHE A 82 -8.791 0.159 0.983 1.00 0.00 C ATOM 1281 CE2 PHE A 82 -7.616 -0.661 2.854 1.00 0.00 C ATOM 1282 CZ PHE A 82 -8.443 0.263 2.293 1.00 0.00 C ATOM 0 H PHE A 82 -6.042 -4.625 -1.666 1.00 0.00 H new ATOM 0 HA PHE A 82 -7.344 -2.312 -2.119 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -7.690 -3.764 -0.161 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -6.072 -3.439 0.428 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -8.564 -0.996 -0.842 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -6.458 -2.466 2.514 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -9.449 0.892 0.539 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -7.341 -0.579 3.895 1.00 0.00 H new ATOM 0 HZ PHE A 82 -8.823 1.079 2.889 1.00 0.00 H new ATOM 1292 N TYR A 83 -4.439 -1.571 -0.744 1.00 0.00 N ATOM 1293 CA TYR A 83 -3.468 -0.504 -0.576 1.00 0.00 C ATOM 1294 C TYR A 83 -2.870 -0.090 -1.923 1.00 0.00 C ATOM 1295 O TYR A 83 -2.627 1.091 -2.161 1.00 0.00 O ATOM 1296 CB TYR A 83 -2.358 -1.078 0.307 1.00 0.00 C ATOM 1297 CG TYR A 83 -2.781 -1.326 1.756 1.00 0.00 C ATOM 1298 CD1 TYR A 83 -4.004 -0.870 2.206 1.00 0.00 C ATOM 1299 CD2 TYR A 83 -1.941 -2.007 2.613 1.00 0.00 C ATOM 1300 CE1 TYR A 83 -4.402 -1.103 3.569 1.00 0.00 C ATOM 1301 CE2 TYR A 83 -2.340 -2.241 3.976 1.00 0.00 C ATOM 1302 CZ TYR A 83 -3.551 -1.778 4.387 1.00 0.00 C ATOM 1303 OH TYR A 83 -3.927 -1.999 5.676 1.00 0.00 O ATOM 0 H TYR A 83 -4.174 -2.460 -0.319 1.00 0.00 H new ATOM 0 HA TYR A 83 -3.937 0.376 -0.137 1.00 0.00 H new ATOM 0 HB2 TYR A 83 -2.013 -2.017 -0.126 1.00 0.00 H new ATOM 0 HB3 TYR A 83 -1.510 -0.393 0.299 1.00 0.00 H new ATOM 0 HD1 TYR A 83 -4.662 -0.338 1.535 1.00 0.00 H new ATOM 0 HD2 TYR A 83 -0.984 -2.364 2.261 1.00 0.00 H new ATOM 0 HE1 TYR A 83 -5.355 -0.750 3.934 1.00 0.00 H new ATOM 0 HE2 TYR A 83 -1.692 -2.772 4.657 1.00 0.00 H new ATOM 0 HH TYR A 83 -3.649 -1.241 6.232 1.00 0.00 H new ATOM 1313 N LEU A 84 -2.650 -1.087 -2.767 1.00 0.00 N ATOM 1314 CA LEU A 84 -2.086 -0.842 -4.084 1.00 0.00 C ATOM 1315 C LEU A 84 -3.013 0.091 -4.866 1.00 0.00 C ATOM 1316 O LEU A 84 -2.555 0.865 -5.705 1.00 0.00 O ATOM 1317 CB LEU A 84 -1.798 -2.164 -4.798 1.00 0.00 C ATOM 1318 CG LEU A 84 -0.429 -2.792 -4.521 1.00 0.00 C ATOM 1319 CD1 LEU A 84 -0.353 -3.333 -3.092 1.00 0.00 C ATOM 1320 CD2 LEU A 84 -0.100 -3.866 -5.559 1.00 0.00 C ATOM 0 H LEU A 84 -2.852 -2.066 -2.565 1.00 0.00 H new ATOM 0 HA LEU A 84 -1.124 -0.337 -3.998 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -2.569 -2.882 -4.516 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -1.891 -2.002 -5.872 1.00 0.00 H new ATOM 0 HG LEU A 84 0.329 -2.014 -4.611 1.00 0.00 H new ATOM 0 HD11 LEU A 84 0.629 -3.774 -2.921 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -0.513 -2.518 -2.386 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -1.121 -4.093 -2.949 1.00 0.00 H new ATOM 0 HD21 LEU A 84 0.877 -4.296 -5.340 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -0.857 -4.649 -5.525 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -0.085 -3.419 -6.553 1.00 0.00 H new ATOM 1332 N ALA A 85 -4.298 -0.014 -4.563 1.00 0.00 N ATOM 1333 CA ALA A 85 -5.293 0.810 -5.227 1.00 0.00 C ATOM 1334 C ALA A 85 -5.399 2.155 -4.506 1.00 0.00 C ATOM 1335 O ALA A 85 -5.185 3.206 -5.109 1.00 0.00 O ATOM 1336 CB ALA A 85 -6.629 0.065 -5.270 1.00 0.00 C ATOM 0 H ALA A 85 -4.673 -0.657 -3.866 1.00 0.00 H new ATOM 0 HA ALA A 85 -4.999 1.010 -6.257 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -7.375 0.684 -5.768 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -6.507 -0.869 -5.819 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -6.958 -0.152 -4.254 1.00 0.00 H new ATOM 1342 N VAL A 86 -5.729 2.080 -3.225 1.00 0.00 N ATOM 1343 CA VAL A 86 -5.865 3.278 -2.415 1.00 0.00 C ATOM 1344 C VAL A 86 -4.623 4.152 -2.591 1.00 0.00 C ATOM 1345 O VAL A 86 -4.725 5.376 -2.659 1.00 0.00 O ATOM 1346 CB VAL A 86 -6.126 2.896 -0.957 1.00 0.00 C ATOM 1347 CG1 VAL A 86 -4.828 2.486 -0.257 1.00 0.00 C ATOM 1348 CG2 VAL A 86 -6.815 4.038 -0.206 1.00 0.00 C ATOM 0 H VAL A 86 -5.906 1.207 -2.728 1.00 0.00 H new ATOM 0 HA VAL A 86 -6.723 3.865 -2.742 1.00 0.00 H new ATOM 0 HB VAL A 86 -6.797 2.037 -0.951 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -5.041 2.219 0.778 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -4.393 1.629 -0.770 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -4.124 3.318 -0.280 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -6.989 3.741 0.828 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -6.179 4.923 -0.227 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -7.768 4.265 -0.684 1.00 0.00 H new ATOM 1358 N GLY A 87 -3.478 3.490 -2.662 1.00 0.00 N ATOM 1359 CA GLY A 87 -2.217 4.192 -2.830 1.00 0.00 C ATOM 1360 C GLY A 87 -2.113 4.807 -4.227 1.00 0.00 C ATOM 1361 O GLY A 87 -1.850 6.001 -4.365 1.00 0.00 O ATOM 0 H GLY A 87 -3.397 2.475 -2.606 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -2.130 4.975 -2.077 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -1.389 3.502 -2.670 1.00 0.00 H new ATOM 1365 N ASN A 88 -2.324 3.965 -5.227 1.00 0.00 N ATOM 1366 CA ASN A 88 -2.259 4.411 -6.608 1.00 0.00 C ATOM 1367 C ASN A 88 -3.252 5.556 -6.818 1.00 0.00 C ATOM 1368 O ASN A 88 -2.902 6.588 -7.388 1.00 0.00 O ATOM 1369 CB ASN A 88 -2.631 3.280 -7.570 1.00 0.00 C ATOM 1370 CG ASN A 88 -1.378 2.600 -8.126 1.00 0.00 C ATOM 1371 OD1 ASN A 88 -0.564 3.200 -8.808 1.00 0.00 O ATOM 1372 ND2 ASN A 88 -1.270 1.315 -7.797 1.00 0.00 N ATOM 0 H ASN A 88 -2.540 2.975 -5.108 1.00 0.00 H new ATOM 0 HA ASN A 88 -1.238 4.735 -6.810 1.00 0.00 H new ATOM 0 HB2 ASN A 88 -3.249 2.546 -7.053 1.00 0.00 H new ATOM 0 HB3 ASN A 88 -3.228 3.677 -8.391 1.00 0.00 H new ATOM 0 HD21 ASN A 88 -0.469 0.772 -8.119 1.00 0.00 H new ATOM 0 HD22 ASN A 88 -1.988 0.874 -7.222 1.00 0.00 H new ATOM 1379 N TYR A 89 -4.470 5.334 -6.346 1.00 0.00 N ATOM 1380 CA TYR A 89 -5.516 6.335 -6.474 1.00 0.00 C ATOM 1381 C TYR A 89 -5.000 7.720 -6.078 1.00 0.00 C ATOM 1382 O TYR A 89 -5.192 8.690 -6.810 1.00 0.00 O ATOM 1383 CB TYR A 89 -6.621 5.918 -5.502 1.00 0.00 C ATOM 1384 CG TYR A 89 -7.440 7.087 -4.952 1.00 0.00 C ATOM 1385 CD1 TYR A 89 -7.018 7.751 -3.819 1.00 0.00 C ATOM 1386 CD2 TYR A 89 -8.600 7.476 -5.589 1.00 0.00 C ATOM 1387 CE1 TYR A 89 -7.788 8.852 -3.301 1.00 0.00 C ATOM 1388 CE2 TYR A 89 -9.371 8.576 -5.072 1.00 0.00 C ATOM 1389 CZ TYR A 89 -8.928 9.210 -3.953 1.00 0.00 C ATOM 1390 OH TYR A 89 -9.656 10.249 -3.464 1.00 0.00 O ATOM 0 H TYR A 89 -4.756 4.476 -5.874 1.00 0.00 H new ATOM 0 HA TYR A 89 -5.867 6.394 -7.504 1.00 0.00 H new ATOM 0 HB2 TYR A 89 -7.292 5.224 -6.007 1.00 0.00 H new ATOM 0 HB3 TYR A 89 -6.172 5.378 -4.668 1.00 0.00 H new ATOM 0 HD1 TYR A 89 -6.110 7.445 -3.320 1.00 0.00 H new ATOM 0 HD2 TYR A 89 -8.930 6.955 -6.476 1.00 0.00 H new ATOM 0 HE1 TYR A 89 -7.468 9.382 -2.416 1.00 0.00 H new ATOM 0 HE2 TYR A 89 -10.281 8.891 -5.561 1.00 0.00 H new ATOM 0 HH TYR A 89 -10.442 10.393 -4.031 1.00 0.00 H new ATOM 1400 N ARG A 90 -4.358 7.769 -4.922 1.00 0.00 N ATOM 1401 CA ARG A 90 -3.814 9.019 -4.419 1.00 0.00 C ATOM 1402 C ARG A 90 -2.928 9.675 -5.479 1.00 0.00 C ATOM 1403 O ARG A 90 -2.771 10.896 -5.493 1.00 0.00 O ATOM 1404 CB ARG A 90 -2.994 8.791 -3.148 1.00 0.00 C ATOM 1405 CG ARG A 90 -3.293 9.867 -2.102 1.00 0.00 C ATOM 1406 CD ARG A 90 -2.350 11.062 -2.259 1.00 0.00 C ATOM 1407 NE ARG A 90 -3.109 12.327 -2.130 1.00 0.00 N ATOM 1408 CZ ARG A 90 -2.697 13.503 -2.621 1.00 0.00 C ATOM 1409 NH1 ARG A 90 -1.532 13.584 -3.278 1.00 0.00 N ATOM 1410 NH2 ARG A 90 -3.451 14.599 -2.456 1.00 0.00 N ATOM 0 H ARG A 90 -4.202 6.962 -4.318 1.00 0.00 H new ATOM 0 HA ARG A 90 -4.652 9.675 -4.183 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -3.219 7.807 -2.737 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -1.931 8.800 -3.390 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -4.326 10.199 -2.202 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -3.189 9.446 -1.102 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -1.567 11.020 -1.502 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -1.857 11.022 -3.230 1.00 0.00 H new ATOM 0 HE ARG A 90 -4.001 12.301 -1.636 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -0.959 12.750 -3.404 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -1.219 14.480 -3.652 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -4.338 14.537 -1.957 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -3.137 15.495 -2.830 1.00 0.00 H new ATOM 1424 N LEU A 91 -2.370 8.837 -6.341 1.00 0.00 N ATOM 1425 CA LEU A 91 -1.504 9.322 -7.402 1.00 0.00 C ATOM 1426 C LEU A 91 -2.330 9.538 -8.671 1.00 0.00 C ATOM 1427 O LEU A 91 -1.778 9.636 -9.766 1.00 0.00 O ATOM 1428 CB LEU A 91 -0.315 8.378 -7.595 1.00 0.00 C ATOM 1429 CG LEU A 91 0.647 8.262 -6.411 1.00 0.00 C ATOM 1430 CD1 LEU A 91 1.488 6.987 -6.512 1.00 0.00 C ATOM 1431 CD2 LEU A 91 1.517 9.514 -6.286 1.00 0.00 C ATOM 0 H LEU A 91 -2.501 7.826 -6.326 1.00 0.00 H new ATOM 0 HA LEU A 91 -1.076 10.287 -7.133 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -0.699 7.384 -7.825 1.00 0.00 H new ATOM 0 HB3 LEU A 91 0.250 8.710 -8.466 1.00 0.00 H new ATOM 0 HG LEU A 91 0.057 8.188 -5.497 1.00 0.00 H new ATOM 0 HD11 LEU A 91 2.164 6.928 -5.659 1.00 0.00 H new ATOM 0 HD12 LEU A 91 0.831 6.117 -6.515 1.00 0.00 H new ATOM 0 HD13 LEU A 91 2.069 7.006 -7.434 1.00 0.00 H new ATOM 0 HD21 LEU A 91 2.191 9.405 -5.437 1.00 0.00 H new ATOM 0 HD22 LEU A 91 2.100 9.645 -7.198 1.00 0.00 H new ATOM 0 HD23 LEU A 91 0.880 10.386 -6.134 1.00 0.00 H new ATOM 1443 N LYS A 92 -3.640 9.605 -8.481 1.00 0.00 N ATOM 1444 CA LYS A 92 -4.547 9.807 -9.598 1.00 0.00 C ATOM 1445 C LYS A 92 -4.521 8.573 -10.501 1.00 0.00 C ATOM 1446 O LYS A 92 -5.008 8.615 -11.630 1.00 0.00 O ATOM 1447 CB LYS A 92 -4.218 11.111 -10.327 1.00 0.00 C ATOM 1448 CG LYS A 92 -4.613 12.326 -9.485 1.00 0.00 C ATOM 1449 CD LYS A 92 -5.549 13.252 -10.265 1.00 0.00 C ATOM 1450 CE LYS A 92 -5.235 14.721 -9.971 1.00 0.00 C ATOM 1451 NZ LYS A 92 -5.056 15.474 -11.232 1.00 0.00 N ATOM 0 H LYS A 92 -4.094 9.523 -7.571 1.00 0.00 H new ATOM 0 HA LYS A 92 -5.571 9.919 -9.241 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -3.151 11.149 -10.548 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -4.743 11.140 -11.282 1.00 0.00 H new ATOM 0 HG2 LYS A 92 -5.103 11.995 -8.569 1.00 0.00 H new ATOM 0 HG3 LYS A 92 -3.719 12.873 -9.188 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -5.448 13.061 -11.333 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -6.584 13.037 -9.999 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -6.044 15.162 -9.388 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -4.331 14.792 -9.366 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -4.844 16.469 -11.015 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 -4.269 15.062 -11.774 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 -5.929 15.421 -11.795 1.00 0.00 H new ATOM 1465 N GLU A 93 -3.946 7.503 -9.972 1.00 0.00 N ATOM 1466 CA GLU A 93 -3.849 6.259 -10.716 1.00 0.00 C ATOM 1467 C GLU A 93 -5.132 5.442 -10.554 1.00 0.00 C ATOM 1468 O GLU A 93 -5.201 4.547 -9.712 1.00 0.00 O ATOM 1469 CB GLU A 93 -2.626 5.452 -10.278 1.00 0.00 C ATOM 1470 CG GLU A 93 -1.333 6.094 -10.787 1.00 0.00 C ATOM 1471 CD GLU A 93 -0.862 5.427 -12.080 1.00 0.00 C ATOM 1472 OE1 GLU A 93 -0.238 4.350 -11.968 1.00 0.00 O ATOM 1473 OE2 GLU A 93 -1.136 6.008 -13.152 1.00 0.00 O ATOM 0 H GLU A 93 -3.542 7.472 -9.036 1.00 0.00 H new ATOM 0 HA GLU A 93 -3.725 6.499 -11.772 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -2.600 5.387 -9.190 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -2.704 4.433 -10.657 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -1.495 7.158 -10.960 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -0.557 6.009 -10.026 1.00 0.00 H new ATOM 1480 N TYR A 94 -6.118 5.779 -11.373 1.00 0.00 N ATOM 1481 CA TYR A 94 -7.395 5.087 -11.330 1.00 0.00 C ATOM 1482 C TYR A 94 -7.310 3.735 -12.041 1.00 0.00 C ATOM 1483 O TYR A 94 -7.627 2.701 -11.456 1.00 0.00 O ATOM 1484 CB TYR A 94 -8.384 5.982 -12.079 1.00 0.00 C ATOM 1485 CG TYR A 94 -8.297 7.462 -11.699 1.00 0.00 C ATOM 1486 CD1 TYR A 94 -7.955 7.824 -10.412 1.00 0.00 C ATOM 1487 CD2 TYR A 94 -8.561 8.434 -12.643 1.00 0.00 C ATOM 1488 CE1 TYR A 94 -7.872 9.216 -10.054 1.00 0.00 C ATOM 1489 CE2 TYR A 94 -8.478 9.826 -12.284 1.00 0.00 C ATOM 1490 CZ TYR A 94 -8.138 10.149 -11.007 1.00 0.00 C ATOM 1491 OH TYR A 94 -8.060 11.463 -10.668 1.00 0.00 O ATOM 0 H TYR A 94 -6.058 6.522 -12.070 1.00 0.00 H new ATOM 0 HA TYR A 94 -7.697 4.901 -10.299 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -8.209 5.882 -13.150 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -9.397 5.627 -11.887 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -7.750 7.063 -9.673 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -8.830 8.151 -13.650 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -7.604 9.513 -9.051 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -8.681 10.597 -13.013 1.00 0.00 H new ATOM 0 HH TYR A 94 -8.954 11.863 -10.700 1.00 0.00 H new ATOM 1501 N GLU A 95 -6.880 3.786 -13.293 1.00 0.00 N ATOM 1502 CA GLU A 95 -6.750 2.578 -14.090 1.00 0.00 C ATOM 1503 C GLU A 95 -6.264 1.418 -13.219 1.00 0.00 C ATOM 1504 O GLU A 95 -7.028 0.505 -12.911 1.00 0.00 O ATOM 1505 CB GLU A 95 -5.813 2.803 -15.278 1.00 0.00 C ATOM 1506 CG GLU A 95 -6.504 3.612 -16.377 1.00 0.00 C ATOM 1507 CD GLU A 95 -6.098 3.111 -17.765 1.00 0.00 C ATOM 1508 OE1 GLU A 95 -4.918 3.319 -18.120 1.00 0.00 O ATOM 1509 OE2 GLU A 95 -6.976 2.530 -18.438 1.00 0.00 O ATOM 0 H GLU A 95 -6.617 4.645 -13.775 1.00 0.00 H new ATOM 0 HA GLU A 95 -7.732 2.321 -14.488 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -4.917 3.327 -14.945 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -5.490 1.842 -15.678 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -7.585 3.539 -16.262 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -6.243 4.666 -16.276 1.00 0.00 H new ATOM 1516 N LYS A 96 -4.994 1.492 -12.847 1.00 0.00 N ATOM 1517 CA LYS A 96 -4.397 0.459 -12.018 1.00 0.00 C ATOM 1518 C LYS A 96 -5.247 0.265 -10.761 1.00 0.00 C ATOM 1519 O LYS A 96 -5.673 -0.850 -10.462 1.00 0.00 O ATOM 1520 CB LYS A 96 -2.932 0.790 -11.723 1.00 0.00 C ATOM 1521 CG LYS A 96 -2.048 0.491 -12.936 1.00 0.00 C ATOM 1522 CD LYS A 96 -1.940 1.713 -13.850 1.00 0.00 C ATOM 1523 CE LYS A 96 -2.534 1.421 -15.229 1.00 0.00 C ATOM 1524 NZ LYS A 96 -1.461 1.115 -16.202 1.00 0.00 N ATOM 0 H LYS A 96 -4.363 2.251 -13.104 1.00 0.00 H new ATOM 0 HA LYS A 96 -4.386 -0.494 -12.547 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -2.840 1.842 -11.452 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -2.589 0.209 -10.867 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -1.054 0.193 -12.602 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -2.462 -0.349 -13.494 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -2.460 2.557 -13.397 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -0.894 2.002 -13.954 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -3.224 0.580 -15.163 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -3.110 2.280 -15.573 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -1.882 0.919 -17.133 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -0.818 1.929 -16.277 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -0.928 0.282 -15.881 1.00 0.00 H new ATOM 1538 N ALA A 97 -5.470 1.366 -10.059 1.00 0.00 N ATOM 1539 CA ALA A 97 -6.263 1.330 -8.842 1.00 0.00 C ATOM 1540 C ALA A 97 -7.425 0.351 -9.024 1.00 0.00 C ATOM 1541 O ALA A 97 -7.455 -0.706 -8.395 1.00 0.00 O ATOM 1542 CB ALA A 97 -6.739 2.743 -8.500 1.00 0.00 C ATOM 0 H ALA A 97 -5.115 2.289 -10.310 1.00 0.00 H new ATOM 0 HA ALA A 97 -5.663 0.977 -8.004 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -7.334 2.716 -7.587 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -5.876 3.392 -8.351 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -7.347 3.130 -9.318 1.00 0.00 H new ATOM 1548 N LEU A 98 -8.352 0.737 -9.887 1.00 0.00 N ATOM 1549 CA LEU A 98 -9.513 -0.093 -10.159 1.00 0.00 C ATOM 1550 C LEU A 98 -9.056 -1.525 -10.441 1.00 0.00 C ATOM 1551 O LEU A 98 -9.404 -2.449 -9.707 1.00 0.00 O ATOM 1552 CB LEU A 98 -10.356 0.515 -11.281 1.00 0.00 C ATOM 1553 CG LEU A 98 -11.629 1.244 -10.845 1.00 0.00 C ATOM 1554 CD1 LEU A 98 -12.644 0.264 -10.250 1.00 0.00 C ATOM 1555 CD2 LEU A 98 -11.305 2.388 -9.883 1.00 0.00 C ATOM 0 H LEU A 98 -8.323 1.614 -10.407 1.00 0.00 H new ATOM 0 HA LEU A 98 -10.166 -0.132 -9.287 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -9.733 1.215 -11.838 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -10.635 -0.281 -11.971 1.00 0.00 H new ATOM 0 HG LEU A 98 -12.088 1.688 -11.728 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -13.540 0.807 -9.948 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -12.908 -0.485 -10.997 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -12.208 -0.229 -9.381 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -12.228 2.889 -9.589 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -10.811 1.989 -8.997 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -10.646 3.102 -10.376 1.00 0.00 H new ATOM 1567 N LYS A 99 -8.282 -1.666 -11.507 1.00 0.00 N ATOM 1568 CA LYS A 99 -7.773 -2.970 -11.896 1.00 0.00 C ATOM 1569 C LYS A 99 -7.439 -3.778 -10.640 1.00 0.00 C ATOM 1570 O LYS A 99 -7.585 -4.999 -10.625 1.00 0.00 O ATOM 1571 CB LYS A 99 -6.595 -2.820 -12.860 1.00 0.00 C ATOM 1572 CG LYS A 99 -6.838 -3.606 -14.150 1.00 0.00 C ATOM 1573 CD LYS A 99 -7.382 -2.695 -15.252 1.00 0.00 C ATOM 1574 CE LYS A 99 -6.364 -2.535 -16.383 1.00 0.00 C ATOM 1575 NZ LYS A 99 -6.963 -1.806 -17.522 1.00 0.00 N ATOM 0 H LYS A 99 -7.995 -0.898 -12.114 1.00 0.00 H new ATOM 0 HA LYS A 99 -8.534 -3.528 -12.442 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -6.445 -1.766 -13.095 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -5.682 -3.173 -12.381 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -5.907 -4.067 -14.480 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -7.544 -4.415 -13.960 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -8.309 -3.111 -15.648 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -7.624 -1.718 -14.834 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -5.489 -1.996 -16.019 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -6.020 -3.516 -16.712 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -6.258 -1.707 -18.280 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -7.784 -2.335 -17.880 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -7.269 -0.863 -17.208 1.00 0.00 H new ATOM 1589 N TYR A 100 -7.000 -3.062 -9.614 1.00 0.00 N ATOM 1590 CA TYR A 100 -6.644 -3.698 -8.357 1.00 0.00 C ATOM 1591 C TYR A 100 -7.851 -3.768 -7.419 1.00 0.00 C ATOM 1592 O TYR A 100 -8.088 -4.794 -6.783 1.00 0.00 O ATOM 1593 CB TYR A 100 -5.573 -2.808 -7.723 1.00 0.00 C ATOM 1594 CG TYR A 100 -4.153 -3.364 -7.843 1.00 0.00 C ATOM 1595 CD1 TYR A 100 -3.927 -4.718 -7.702 1.00 0.00 C ATOM 1596 CD2 TYR A 100 -3.096 -2.510 -8.093 1.00 0.00 C ATOM 1597 CE1 TYR A 100 -2.590 -5.240 -7.815 1.00 0.00 C ATOM 1598 CE2 TYR A 100 -1.760 -3.033 -8.207 1.00 0.00 C ATOM 1599 CZ TYR A 100 -1.572 -4.372 -8.062 1.00 0.00 C ATOM 1600 OH TYR A 100 -0.310 -4.866 -8.169 1.00 0.00 O ATOM 0 H TYR A 100 -6.883 -2.049 -9.628 1.00 0.00 H new ATOM 0 HA TYR A 100 -6.295 -4.717 -8.527 1.00 0.00 H new ATOM 0 HB2 TYR A 100 -5.608 -1.824 -8.192 1.00 0.00 H new ATOM 0 HB3 TYR A 100 -5.809 -2.667 -6.668 1.00 0.00 H new ATOM 0 HD1 TYR A 100 -4.753 -5.386 -7.507 1.00 0.00 H new ATOM 0 HD2 TYR A 100 -3.272 -1.450 -8.203 1.00 0.00 H new ATOM 0 HE1 TYR A 100 -2.399 -6.297 -7.706 1.00 0.00 H new ATOM 0 HE2 TYR A 100 -0.925 -2.377 -8.403 1.00 0.00 H new ATOM 0 HH TYR A 100 0.291 -4.161 -8.487 1.00 0.00 H new ATOM 1610 N VAL A 101 -8.582 -2.665 -7.362 1.00 0.00 N ATOM 1611 CA VAL A 101 -9.758 -2.589 -6.513 1.00 0.00 C ATOM 1612 C VAL A 101 -10.784 -3.627 -6.976 1.00 0.00 C ATOM 1613 O VAL A 101 -11.318 -4.381 -6.163 1.00 0.00 O ATOM 1614 CB VAL A 101 -10.311 -1.162 -6.511 1.00 0.00 C ATOM 1615 CG1 VAL A 101 -11.778 -1.142 -6.947 1.00 0.00 C ATOM 1616 CG2 VAL A 101 -10.137 -0.509 -5.139 1.00 0.00 C ATOM 0 H VAL A 101 -8.382 -1.816 -7.891 1.00 0.00 H new ATOM 0 HA VAL A 101 -9.500 -2.825 -5.481 1.00 0.00 H new ATOM 0 HB VAL A 101 -9.739 -0.580 -7.234 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -12.147 -0.116 -6.937 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -11.864 -1.548 -7.955 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -12.370 -1.747 -6.260 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -10.538 0.504 -5.165 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -10.671 -1.092 -4.388 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -9.078 -0.473 -4.885 1.00 0.00 H new ATOM 1626 N ARG A 102 -11.027 -3.631 -8.277 1.00 0.00 N ATOM 1627 CA ARG A 102 -11.980 -4.563 -8.857 1.00 0.00 C ATOM 1628 C ARG A 102 -11.527 -6.004 -8.614 1.00 0.00 C ATOM 1629 O ARG A 102 -12.347 -6.880 -8.345 1.00 0.00 O ATOM 1630 CB ARG A 102 -12.132 -4.331 -10.361 1.00 0.00 C ATOM 1631 CG ARG A 102 -12.537 -2.885 -10.654 1.00 0.00 C ATOM 1632 CD ARG A 102 -13.982 -2.623 -10.224 1.00 0.00 C ATOM 1633 NE ARG A 102 -14.899 -2.856 -11.362 1.00 0.00 N ATOM 1634 CZ ARG A 102 -16.193 -2.502 -11.370 1.00 0.00 C ATOM 1635 NH1 ARG A 102 -16.727 -1.897 -10.301 1.00 0.00 N ATOM 1636 NH2 ARG A 102 -16.949 -2.753 -12.447 1.00 0.00 N ATOM 0 H ARG A 102 -10.581 -3.004 -8.947 1.00 0.00 H new ATOM 0 HA ARG A 102 -12.943 -4.395 -8.376 1.00 0.00 H new ATOM 0 HB2 ARG A 102 -11.192 -4.559 -10.865 1.00 0.00 H new ATOM 0 HB3 ARG A 102 -12.882 -5.011 -10.764 1.00 0.00 H new ATOM 0 HG2 ARG A 102 -11.868 -2.203 -10.129 1.00 0.00 H new ATOM 0 HG3 ARG A 102 -12.428 -2.682 -11.719 1.00 0.00 H new ATOM 0 HD2 ARG A 102 -14.247 -3.277 -9.393 1.00 0.00 H new ATOM 0 HD3 ARG A 102 -14.084 -1.598 -9.868 1.00 0.00 H new ATOM 0 HE ARG A 102 -14.524 -3.314 -12.192 1.00 0.00 H new ATOM 0 HH11 ARG A 102 -16.150 -1.706 -9.482 1.00 0.00 H new ATOM 0 HH12 ARG A 102 -17.711 -1.627 -10.306 1.00 0.00 H new ATOM 0 HH21 ARG A 102 -16.541 -3.213 -13.261 1.00 0.00 H new ATOM 0 HH22 ARG A 102 -17.933 -2.484 -12.453 1.00 0.00 H new ATOM 1650 N GLY A 103 -10.221 -6.205 -8.716 1.00 0.00 N ATOM 1651 CA GLY A 103 -9.648 -7.525 -8.510 1.00 0.00 C ATOM 1652 C GLY A 103 -9.603 -7.877 -7.022 1.00 0.00 C ATOM 1653 O GLY A 103 -9.232 -8.991 -6.656 1.00 0.00 O ATOM 0 H GLY A 103 -9.543 -5.476 -8.939 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -10.238 -8.269 -9.046 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -8.641 -7.557 -8.926 1.00 0.00 H new ATOM 1657 N LEU A 104 -9.986 -6.907 -6.205 1.00 0.00 N ATOM 1658 CA LEU A 104 -9.994 -7.101 -4.766 1.00 0.00 C ATOM 1659 C LEU A 104 -11.432 -7.325 -4.292 1.00 0.00 C ATOM 1660 O LEU A 104 -11.704 -8.264 -3.548 1.00 0.00 O ATOM 1661 CB LEU A 104 -9.290 -5.937 -4.064 1.00 0.00 C ATOM 1662 CG LEU A 104 -9.232 -6.010 -2.537 1.00 0.00 C ATOM 1663 CD1 LEU A 104 -10.491 -5.406 -1.911 1.00 0.00 C ATOM 1664 CD2 LEU A 104 -8.989 -7.445 -2.066 1.00 0.00 C ATOM 0 H LEU A 104 -10.293 -5.984 -6.513 1.00 0.00 H new ATOM 0 HA LEU A 104 -9.428 -7.994 -4.500 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -8.270 -5.873 -4.444 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -9.793 -5.012 -4.345 1.00 0.00 H new ATOM 0 HG LEU A 104 -8.386 -5.412 -2.198 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -10.424 -5.471 -0.825 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -10.579 -4.361 -2.208 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -11.368 -5.956 -2.254 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -8.952 -7.469 -0.977 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -9.799 -8.085 -2.416 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -8.042 -7.805 -2.469 1.00 0.00 H new ATOM 1676 N LEU A 105 -12.313 -6.446 -4.746 1.00 0.00 N ATOM 1677 CA LEU A 105 -13.716 -6.536 -4.379 1.00 0.00 C ATOM 1678 C LEU A 105 -14.227 -7.947 -4.677 1.00 0.00 C ATOM 1679 O LEU A 105 -15.061 -8.477 -3.944 1.00 0.00 O ATOM 1680 CB LEU A 105 -14.522 -5.432 -5.066 1.00 0.00 C ATOM 1681 CG LEU A 105 -14.604 -4.099 -4.321 1.00 0.00 C ATOM 1682 CD1 LEU A 105 -15.397 -4.246 -3.021 1.00 0.00 C ATOM 1683 CD2 LEU A 105 -13.211 -3.517 -4.080 1.00 0.00 C ATOM 0 H LEU A 105 -12.083 -5.668 -5.364 1.00 0.00 H new ATOM 0 HA LEU A 105 -13.841 -6.370 -3.309 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -14.087 -5.250 -6.049 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -15.536 -5.797 -5.229 1.00 0.00 H new ATOM 0 HG LEU A 105 -15.143 -3.390 -4.949 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -15.440 -3.284 -2.510 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -16.409 -4.582 -3.248 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -14.908 -4.977 -2.377 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -13.300 -2.569 -3.549 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -12.624 -4.214 -3.483 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -12.715 -3.352 -5.037 1.00 0.00 H new ATOM 1695 N GLN A 106 -13.706 -8.515 -5.754 1.00 0.00 N ATOM 1696 CA GLN A 106 -14.099 -9.854 -6.159 1.00 0.00 C ATOM 1697 C GLN A 106 -14.153 -10.782 -4.943 1.00 0.00 C ATOM 1698 O GLN A 106 -15.227 -11.230 -4.547 1.00 0.00 O ATOM 1699 CB GLN A 106 -13.152 -10.406 -7.226 1.00 0.00 C ATOM 1700 CG GLN A 106 -13.907 -10.726 -8.518 1.00 0.00 C ATOM 1701 CD GLN A 106 -14.024 -12.238 -8.723 1.00 0.00 C ATOM 1702 OE1 GLN A 106 -13.061 -12.926 -9.018 1.00 0.00 O ATOM 1703 NE2 GLN A 106 -15.254 -12.714 -8.552 1.00 0.00 N ATOM 0 H GLN A 106 -13.015 -8.072 -6.359 1.00 0.00 H new ATOM 0 HA GLN A 106 -15.096 -9.801 -6.597 1.00 0.00 H new ATOM 0 HB2 GLN A 106 -12.366 -9.679 -7.431 1.00 0.00 H new ATOM 0 HB3 GLN A 106 -12.664 -11.307 -6.853 1.00 0.00 H new ATOM 0 HG2 GLN A 106 -14.902 -10.282 -8.482 1.00 0.00 H new ATOM 0 HG3 GLN A 106 -13.389 -10.279 -9.367 1.00 0.00 H new ATOM 0 HE21 GLN A 106 -16.016 -12.082 -8.305 1.00 0.00 H new ATOM 0 HE22 GLN A 106 -15.436 -13.711 -8.667 1.00 0.00 H new ATOM 1712 N THR A 107 -12.980 -11.041 -4.383 1.00 0.00 N ATOM 1713 CA THR A 107 -12.880 -11.906 -3.220 1.00 0.00 C ATOM 1714 C THR A 107 -13.276 -11.145 -1.954 1.00 0.00 C ATOM 1715 O THR A 107 -13.407 -11.738 -0.885 1.00 0.00 O ATOM 1716 CB THR A 107 -11.459 -12.469 -3.172 1.00 0.00 C ATOM 1717 OG1 THR A 107 -11.501 -13.429 -2.119 1.00 0.00 O ATOM 1718 CG2 THR A 107 -10.436 -11.436 -2.693 1.00 0.00 C ATOM 0 H THR A 107 -12.091 -10.667 -4.714 1.00 0.00 H new ATOM 0 HA THR A 107 -13.575 -12.743 -3.288 1.00 0.00 H new ATOM 0 HB THR A 107 -11.177 -12.828 -4.162 1.00 0.00 H new ATOM 0 HG1 THR A 107 -12.213 -13.192 -1.488 1.00 0.00 H new ATOM 0 HG21 THR A 107 -9.444 -11.887 -2.677 1.00 0.00 H new ATOM 0 HG22 THR A 107 -10.436 -10.582 -3.371 1.00 0.00 H new ATOM 0 HG23 THR A 107 -10.699 -11.102 -1.689 1.00 0.00 H new ATOM 1726 N GLU A 108 -13.457 -9.843 -2.117 1.00 0.00 N ATOM 1727 CA GLU A 108 -13.836 -8.994 -1.000 1.00 0.00 C ATOM 1728 C GLU A 108 -14.989 -8.071 -1.401 1.00 0.00 C ATOM 1729 O GLU A 108 -14.829 -6.851 -1.432 1.00 0.00 O ATOM 1730 CB GLU A 108 -12.638 -8.187 -0.493 1.00 0.00 C ATOM 1731 CG GLU A 108 -11.448 -9.102 -0.198 1.00 0.00 C ATOM 1732 CD GLU A 108 -11.530 -9.668 1.221 1.00 0.00 C ATOM 1733 OE1 GLU A 108 -11.808 -8.865 2.138 1.00 0.00 O ATOM 1734 OE2 GLU A 108 -11.312 -10.891 1.356 1.00 0.00 O ATOM 0 H GLU A 108 -13.348 -9.355 -3.006 1.00 0.00 H new ATOM 0 HA GLU A 108 -14.175 -9.632 -0.183 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -12.354 -7.443 -1.238 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -12.917 -7.644 0.410 1.00 0.00 H new ATOM 0 HG2 GLU A 108 -11.426 -9.919 -0.919 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -10.518 -8.546 -0.318 1.00 0.00 H new ATOM 1741 N PRO A 109 -16.153 -8.705 -1.706 1.00 0.00 N ATOM 1742 CA PRO A 109 -17.331 -7.954 -2.103 1.00 0.00 C ATOM 1743 C PRO A 109 -17.979 -7.270 -0.898 1.00 0.00 C ATOM 1744 O PRO A 109 -18.505 -6.165 -1.014 1.00 0.00 O ATOM 1745 CB PRO A 109 -18.242 -8.974 -2.767 1.00 0.00 C ATOM 1746 CG PRO A 109 -17.749 -10.336 -2.305 1.00 0.00 C ATOM 1747 CD PRO A 109 -16.378 -10.147 -1.679 1.00 0.00 C ATOM 0 HA PRO A 109 -17.098 -7.140 -2.789 1.00 0.00 H new ATOM 0 HB2 PRO A 109 -19.281 -8.816 -2.478 1.00 0.00 H new ATOM 0 HB3 PRO A 109 -18.197 -8.890 -3.853 1.00 0.00 H new ATOM 0 HG2 PRO A 109 -18.442 -10.768 -1.583 1.00 0.00 H new ATOM 0 HG3 PRO A 109 -17.693 -11.027 -3.146 1.00 0.00 H new ATOM 0 HD2 PRO A 109 -16.352 -10.533 -0.660 1.00 0.00 H new ATOM 0 HD3 PRO A 109 -15.610 -10.678 -2.241 1.00 0.00 H new ATOM 1755 N GLN A 110 -17.917 -7.955 0.234 1.00 0.00 N ATOM 1756 CA GLN A 110 -18.490 -7.428 1.461 1.00 0.00 C ATOM 1757 C GLN A 110 -17.637 -6.276 1.994 1.00 0.00 C ATOM 1758 O GLN A 110 -18.160 -5.329 2.580 1.00 0.00 O ATOM 1759 CB GLN A 110 -18.644 -8.528 2.513 1.00 0.00 C ATOM 1760 CG GLN A 110 -17.322 -8.776 3.244 1.00 0.00 C ATOM 1761 CD GLN A 110 -17.477 -9.872 4.299 1.00 0.00 C ATOM 1762 OE1 GLN A 110 -17.426 -11.057 4.014 1.00 0.00 O ATOM 1763 NE2 GLN A 110 -17.669 -9.413 5.533 1.00 0.00 N ATOM 0 H GLN A 110 -17.478 -8.871 0.328 1.00 0.00 H new ATOM 0 HA GLN A 110 -19.485 -7.044 1.237 1.00 0.00 H new ATOM 0 HB2 GLN A 110 -19.413 -8.244 3.231 1.00 0.00 H new ATOM 0 HB3 GLN A 110 -18.978 -9.449 2.035 1.00 0.00 H new ATOM 0 HG2 GLN A 110 -16.554 -9.063 2.526 1.00 0.00 H new ATOM 0 HG3 GLN A 110 -16.986 -7.854 3.719 1.00 0.00 H new ATOM 0 HE21 GLN A 110 -17.701 -8.408 5.704 1.00 0.00 H new ATOM 0 HE22 GLN A 110 -17.784 -10.066 6.308 1.00 0.00 H new ATOM 1772 N ASN A 111 -16.336 -6.393 1.771 1.00 0.00 N ATOM 1773 CA ASN A 111 -15.404 -5.372 2.221 1.00 0.00 C ATOM 1774 C ASN A 111 -15.917 -3.996 1.794 1.00 0.00 C ATOM 1775 O ASN A 111 -16.068 -3.727 0.603 1.00 0.00 O ATOM 1776 CB ASN A 111 -14.022 -5.577 1.598 1.00 0.00 C ATOM 1777 CG ASN A 111 -13.061 -4.462 2.019 1.00 0.00 C ATOM 1778 OD1 ASN A 111 -13.459 -3.358 2.355 1.00 0.00 O ATOM 1779 ND2 ASN A 111 -11.779 -4.811 1.982 1.00 0.00 N ATOM 0 H ASN A 111 -15.905 -7.179 1.285 1.00 0.00 H new ATOM 0 HA ASN A 111 -15.324 -5.441 3.306 1.00 0.00 H new ATOM 0 HB2 ASN A 111 -13.621 -6.543 1.904 1.00 0.00 H new ATOM 0 HB3 ASN A 111 -14.108 -5.597 0.512 1.00 0.00 H new ATOM 0 HD21 ASN A 111 -11.059 -4.138 2.245 1.00 0.00 H new ATOM 0 HD22 ASN A 111 -11.515 -5.752 1.691 1.00 0.00 H new ATOM 1786 N ASN A 112 -16.170 -3.159 2.790 1.00 0.00 N ATOM 1787 CA ASN A 112 -16.662 -1.817 2.532 1.00 0.00 C ATOM 1788 C ASN A 112 -15.502 -0.933 2.069 1.00 0.00 C ATOM 1789 O ASN A 112 -15.589 -0.286 1.027 1.00 0.00 O ATOM 1790 CB ASN A 112 -17.255 -1.195 3.799 1.00 0.00 C ATOM 1791 CG ASN A 112 -18.115 -2.209 4.556 1.00 0.00 C ATOM 1792 OD1 ASN A 112 -17.747 -2.712 5.605 1.00 0.00 O ATOM 1793 ND2 ASN A 112 -19.277 -2.478 3.969 1.00 0.00 N ATOM 0 H ASN A 112 -16.043 -3.385 3.777 1.00 0.00 H new ATOM 0 HA ASN A 112 -17.435 -1.882 1.766 1.00 0.00 H new ATOM 0 HB2 ASN A 112 -16.452 -0.840 4.445 1.00 0.00 H new ATOM 0 HB3 ASN A 112 -17.858 -0.327 3.534 1.00 0.00 H new ATOM 0 HD21 ASN A 112 -19.923 -3.141 4.397 1.00 0.00 H new ATOM 0 HD22 ASN A 112 -19.523 -2.021 3.091 1.00 0.00 H new ATOM 1800 N GLN A 113 -14.445 -0.933 2.868 1.00 0.00 N ATOM 1801 CA GLN A 113 -13.269 -0.140 2.553 1.00 0.00 C ATOM 1802 C GLN A 113 -13.007 -0.154 1.046 1.00 0.00 C ATOM 1803 O GLN A 113 -12.804 0.895 0.437 1.00 0.00 O ATOM 1804 CB GLN A 113 -12.048 -0.638 3.328 1.00 0.00 C ATOM 1805 CG GLN A 113 -12.176 -0.321 4.819 1.00 0.00 C ATOM 1806 CD GLN A 113 -12.421 -1.594 5.632 1.00 0.00 C ATOM 1807 OE1 GLN A 113 -11.518 -2.366 5.909 1.00 0.00 O ATOM 1808 NE2 GLN A 113 -13.688 -1.767 5.996 1.00 0.00 N ATOM 0 H GLN A 113 -14.379 -1.470 3.733 1.00 0.00 H new ATOM 0 HA GLN A 113 -13.456 0.889 2.859 1.00 0.00 H new ATOM 0 HB2 GLN A 113 -11.939 -1.714 3.190 1.00 0.00 H new ATOM 0 HB3 GLN A 113 -11.146 -0.173 2.930 1.00 0.00 H new ATOM 0 HG2 GLN A 113 -11.268 0.169 5.169 1.00 0.00 H new ATOM 0 HG3 GLN A 113 -12.997 0.379 4.976 1.00 0.00 H new ATOM 0 HE21 GLN A 113 -14.394 -1.080 5.730 1.00 0.00 H new ATOM 0 HE22 GLN A 113 -13.954 -2.586 6.542 1.00 0.00 H new ATOM 1817 N ALA A 114 -13.020 -1.356 0.487 1.00 0.00 N ATOM 1818 CA ALA A 114 -12.785 -1.521 -0.937 1.00 0.00 C ATOM 1819 C ALA A 114 -13.957 -0.919 -1.716 1.00 0.00 C ATOM 1820 O ALA A 114 -13.761 -0.063 -2.577 1.00 0.00 O ATOM 1821 CB ALA A 114 -12.576 -3.004 -1.252 1.00 0.00 C ATOM 0 H ALA A 114 -13.190 -2.224 0.995 1.00 0.00 H new ATOM 0 HA ALA A 114 -11.881 -0.993 -1.240 1.00 0.00 H new ATOM 0 HB1 ALA A 114 -12.400 -3.128 -2.321 1.00 0.00 H new ATOM 0 HB2 ALA A 114 -11.715 -3.376 -0.697 1.00 0.00 H new ATOM 0 HB3 ALA A 114 -13.464 -3.566 -0.963 1.00 0.00 H new ATOM 1827 N LYS A 115 -15.150 -1.392 -1.386 1.00 0.00 N ATOM 1828 CA LYS A 115 -16.353 -0.911 -2.043 1.00 0.00 C ATOM 1829 C LYS A 115 -16.247 0.601 -2.250 1.00 0.00 C ATOM 1830 O LYS A 115 -16.331 1.084 -3.378 1.00 0.00 O ATOM 1831 CB LYS A 115 -17.598 -1.339 -1.262 1.00 0.00 C ATOM 1832 CG LYS A 115 -18.160 -2.654 -1.805 1.00 0.00 C ATOM 1833 CD LYS A 115 -19.678 -2.716 -1.630 1.00 0.00 C ATOM 1834 CE LYS A 115 -20.371 -3.041 -2.955 1.00 0.00 C ATOM 1835 NZ LYS A 115 -21.830 -2.815 -2.847 1.00 0.00 N ATOM 0 H LYS A 115 -15.309 -2.103 -0.672 1.00 0.00 H new ATOM 0 HA LYS A 115 -16.453 -1.362 -3.030 1.00 0.00 H new ATOM 0 HB2 LYS A 115 -17.348 -1.454 -0.207 1.00 0.00 H new ATOM 0 HB3 LYS A 115 -18.358 -0.560 -1.327 1.00 0.00 H new ATOM 0 HG2 LYS A 115 -17.908 -2.753 -2.861 1.00 0.00 H new ATOM 0 HG3 LYS A 115 -17.696 -3.493 -1.287 1.00 0.00 H new ATOM 0 HD2 LYS A 115 -19.931 -3.473 -0.888 1.00 0.00 H new ATOM 0 HD3 LYS A 115 -20.043 -1.762 -1.249 1.00 0.00 H new ATOM 0 HE2 LYS A 115 -19.959 -2.419 -3.750 1.00 0.00 H new ATOM 0 HE3 LYS A 115 -20.177 -4.078 -3.229 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 -22.284 -3.040 -3.755 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 -22.222 -3.426 -2.103 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 -22.010 -1.819 -2.608 1.00 0.00 H new ATOM 1849 N GLU A 116 -16.063 1.306 -1.143 1.00 0.00 N ATOM 1850 CA GLU A 116 -15.945 2.753 -1.189 1.00 0.00 C ATOM 1851 C GLU A 116 -14.869 3.166 -2.195 1.00 0.00 C ATOM 1852 O GLU A 116 -15.148 3.905 -3.139 1.00 0.00 O ATOM 1853 CB GLU A 116 -15.644 3.323 0.199 1.00 0.00 C ATOM 1854 CG GLU A 116 -16.896 3.950 0.817 1.00 0.00 C ATOM 1855 CD GLU A 116 -16.666 5.427 1.142 1.00 0.00 C ATOM 1856 OE1 GLU A 116 -16.762 6.238 0.197 1.00 0.00 O ATOM 1857 OE2 GLU A 116 -16.399 5.712 2.330 1.00 0.00 O ATOM 0 H GLU A 116 -15.993 0.902 -0.209 1.00 0.00 H new ATOM 0 HA GLU A 116 -16.899 3.165 -1.517 1.00 0.00 H new ATOM 0 HB2 GLU A 116 -15.271 2.531 0.848 1.00 0.00 H new ATOM 0 HB3 GLU A 116 -14.856 4.072 0.125 1.00 0.00 H new ATOM 0 HG2 GLU A 116 -17.734 3.852 0.127 1.00 0.00 H new ATOM 0 HG3 GLU A 116 -17.166 3.412 1.726 1.00 0.00 H new ATOM 1864 N LEU A 117 -13.662 2.672 -1.960 1.00 0.00 N ATOM 1865 CA LEU A 117 -12.544 2.980 -2.834 1.00 0.00 C ATOM 1866 C LEU A 117 -13.023 2.984 -4.287 1.00 0.00 C ATOM 1867 O LEU A 117 -12.977 4.013 -4.957 1.00 0.00 O ATOM 1868 CB LEU A 117 -11.380 2.022 -2.573 1.00 0.00 C ATOM 1869 CG LEU A 117 -10.008 2.670 -2.378 1.00 0.00 C ATOM 1870 CD1 LEU A 117 -8.900 1.615 -2.363 1.00 0.00 C ATOM 1871 CD2 LEU A 117 -9.756 3.750 -3.431 1.00 0.00 C ATOM 0 H LEU A 117 -13.434 2.060 -1.176 1.00 0.00 H new ATOM 0 HA LEU A 117 -12.159 3.978 -2.622 1.00 0.00 H new ATOM 0 HB2 LEU A 117 -11.612 1.434 -1.685 1.00 0.00 H new ATOM 0 HB3 LEU A 117 -11.315 1.325 -3.408 1.00 0.00 H new ATOM 0 HG LEU A 117 -9.998 3.161 -1.405 1.00 0.00 H new ATOM 0 HD11 LEU A 117 -7.935 2.103 -2.223 1.00 0.00 H new ATOM 0 HD12 LEU A 117 -9.075 0.915 -1.546 1.00 0.00 H new ATOM 0 HD13 LEU A 117 -8.899 1.075 -3.310 1.00 0.00 H new ATOM 0 HD21 LEU A 117 -8.774 4.194 -3.269 1.00 0.00 H new ATOM 0 HD22 LEU A 117 -9.793 3.305 -4.425 1.00 0.00 H new ATOM 0 HD23 LEU A 117 -10.521 4.522 -3.350 1.00 0.00 H new ATOM 1883 N GLU A 118 -13.472 1.819 -4.731 1.00 0.00 N ATOM 1884 CA GLU A 118 -13.960 1.675 -6.093 1.00 0.00 C ATOM 1885 C GLU A 118 -14.810 2.886 -6.483 1.00 0.00 C ATOM 1886 O GLU A 118 -14.536 3.542 -7.486 1.00 0.00 O ATOM 1887 CB GLU A 118 -14.750 0.375 -6.257 1.00 0.00 C ATOM 1888 CG GLU A 118 -15.403 0.302 -7.639 1.00 0.00 C ATOM 1889 CD GLU A 118 -16.892 0.644 -7.559 1.00 0.00 C ATOM 1890 OE1 GLU A 118 -17.506 0.275 -6.535 1.00 0.00 O ATOM 1891 OE2 GLU A 118 -17.384 1.268 -8.525 1.00 0.00 O ATOM 0 H GLU A 118 -13.508 0.966 -4.172 1.00 0.00 H new ATOM 0 HA GLU A 118 -13.102 1.627 -6.763 1.00 0.00 H new ATOM 0 HB2 GLU A 118 -14.086 -0.478 -6.119 1.00 0.00 H new ATOM 0 HB3 GLU A 118 -15.516 0.311 -5.485 1.00 0.00 H new ATOM 0 HG2 GLU A 118 -14.903 0.993 -8.318 1.00 0.00 H new ATOM 0 HG3 GLU A 118 -15.277 -0.699 -8.052 1.00 0.00 H new ATOM 1898 N ARG A 119 -15.823 3.144 -5.670 1.00 0.00 N ATOM 1899 CA ARG A 119 -16.713 4.265 -5.918 1.00 0.00 C ATOM 1900 C ARG A 119 -15.942 5.584 -5.844 1.00 0.00 C ATOM 1901 O ARG A 119 -16.200 6.503 -6.619 1.00 0.00 O ATOM 1902 CB ARG A 119 -17.858 4.295 -4.902 1.00 0.00 C ATOM 1903 CG ARG A 119 -19.066 3.508 -5.415 1.00 0.00 C ATOM 1904 CD ARG A 119 -20.373 4.234 -5.085 1.00 0.00 C ATOM 1905 NE ARG A 119 -20.829 5.013 -6.257 1.00 0.00 N ATOM 1906 CZ ARG A 119 -21.529 4.497 -7.275 1.00 0.00 C ATOM 1907 NH1 ARG A 119 -21.859 3.198 -7.272 1.00 0.00 N ATOM 1908 NH2 ARG A 119 -21.902 5.280 -8.298 1.00 0.00 N ATOM 0 H ARG A 119 -16.047 2.596 -4.839 1.00 0.00 H new ATOM 0 HA ARG A 119 -17.131 4.140 -6.917 1.00 0.00 H new ATOM 0 HB2 ARG A 119 -17.520 3.874 -3.955 1.00 0.00 H new ATOM 0 HB3 ARG A 119 -18.148 5.327 -4.706 1.00 0.00 H new ATOM 0 HG2 ARG A 119 -18.984 3.371 -6.493 1.00 0.00 H new ATOM 0 HG3 ARG A 119 -19.074 2.514 -4.967 1.00 0.00 H new ATOM 0 HD2 ARG A 119 -21.137 3.512 -4.798 1.00 0.00 H new ATOM 0 HD3 ARG A 119 -20.225 4.897 -4.233 1.00 0.00 H new ATOM 0 HE ARG A 119 -20.596 6.005 -6.292 1.00 0.00 H new ATOM 0 HH11 ARG A 119 -21.577 2.602 -6.494 1.00 0.00 H new ATOM 0 HH12 ARG A 119 -22.392 2.805 -8.048 1.00 0.00 H new ATOM 0 HH21 ARG A 119 -21.652 6.269 -8.301 1.00 0.00 H new ATOM 0 HH22 ARG A 119 -22.435 4.886 -9.073 1.00 0.00 H new ATOM 1922 N LEU A 120 -15.009 5.635 -4.904 1.00 0.00 N ATOM 1923 CA LEU A 120 -14.198 6.826 -4.718 1.00 0.00 C ATOM 1924 C LEU A 120 -13.472 7.151 -6.025 1.00 0.00 C ATOM 1925 O LEU A 120 -13.691 8.209 -6.613 1.00 0.00 O ATOM 1926 CB LEU A 120 -13.262 6.655 -3.520 1.00 0.00 C ATOM 1927 CG LEU A 120 -13.931 6.616 -2.145 1.00 0.00 C ATOM 1928 CD1 LEU A 120 -12.943 6.167 -1.066 1.00 0.00 C ATOM 1929 CD2 LEU A 120 -14.575 7.962 -1.810 1.00 0.00 C ATOM 0 H LEU A 120 -14.797 4.870 -4.263 1.00 0.00 H new ATOM 0 HA LEU A 120 -14.828 7.683 -4.480 1.00 0.00 H new ATOM 0 HB2 LEU A 120 -12.698 5.732 -3.654 1.00 0.00 H new ATOM 0 HB3 LEU A 120 -12.541 7.473 -3.528 1.00 0.00 H new ATOM 0 HG LEU A 120 -14.731 5.876 -2.175 1.00 0.00 H new ATOM 0 HD11 LEU A 120 -13.445 6.148 -0.098 1.00 0.00 H new ATOM 0 HD12 LEU A 120 -12.574 5.169 -1.303 1.00 0.00 H new ATOM 0 HD13 LEU A 120 -12.106 6.864 -1.027 1.00 0.00 H new ATOM 0 HD21 LEU A 120 -15.043 7.907 -0.827 1.00 0.00 H new ATOM 0 HD22 LEU A 120 -13.811 8.740 -1.805 1.00 0.00 H new ATOM 0 HD23 LEU A 120 -15.330 8.200 -2.559 1.00 0.00 H new ATOM 1941 N ILE A 121 -12.623 6.224 -6.440 1.00 0.00 N ATOM 1942 CA ILE A 121 -11.863 6.399 -7.666 1.00 0.00 C ATOM 1943 C ILE A 121 -12.820 6.739 -8.810 1.00 0.00 C ATOM 1944 O ILE A 121 -12.580 7.678 -9.567 1.00 0.00 O ATOM 1945 CB ILE A 121 -10.993 5.170 -7.938 1.00 0.00 C ATOM 1946 CG1 ILE A 121 -10.187 4.784 -6.695 1.00 0.00 C ATOM 1947 CG2 ILE A 121 -10.095 5.392 -9.156 1.00 0.00 C ATOM 1948 CD1 ILE A 121 -10.363 3.299 -6.368 1.00 0.00 C ATOM 0 H ILE A 121 -12.444 5.348 -5.949 1.00 0.00 H new ATOM 0 HA ILE A 121 -11.171 7.236 -7.568 1.00 0.00 H new ATOM 0 HB ILE A 121 -11.649 4.332 -8.171 1.00 0.00 H new ATOM 0 HG12 ILE A 121 -9.132 5.002 -6.859 1.00 0.00 H new ATOM 0 HG13 ILE A 121 -10.509 5.388 -5.846 1.00 0.00 H new ATOM 0 HG21 ILE A 121 -9.487 4.503 -9.327 1.00 0.00 H new ATOM 0 HG22 ILE A 121 -10.713 5.583 -10.033 1.00 0.00 H new ATOM 0 HG23 ILE A 121 -9.444 6.248 -8.977 1.00 0.00 H new ATOM 0 HD11 ILE A 121 -9.780 3.050 -5.481 1.00 0.00 H new ATOM 0 HD12 ILE A 121 -11.416 3.090 -6.181 1.00 0.00 H new ATOM 0 HD13 ILE A 121 -10.018 2.698 -7.209 1.00 0.00 H new ATOM 1960 N ASP A 122 -13.886 5.956 -8.899 1.00 0.00 N ATOM 1961 CA ASP A 122 -14.881 6.162 -9.938 1.00 0.00 C ATOM 1962 C ASP A 122 -15.156 7.660 -10.085 1.00 0.00 C ATOM 1963 O ASP A 122 -15.334 8.156 -11.196 1.00 0.00 O ATOM 1964 CB ASP A 122 -16.199 5.472 -9.583 1.00 0.00 C ATOM 1965 CG ASP A 122 -16.995 4.943 -10.778 1.00 0.00 C ATOM 1966 OD1 ASP A 122 -17.499 5.791 -11.544 1.00 0.00 O ATOM 1967 OD2 ASP A 122 -17.080 3.702 -10.898 1.00 0.00 O ATOM 0 H ASP A 122 -14.082 5.178 -8.269 1.00 0.00 H new ATOM 0 HA ASP A 122 -14.492 5.741 -10.865 1.00 0.00 H new ATOM 0 HB2 ASP A 122 -15.987 4.641 -8.910 1.00 0.00 H new ATOM 0 HB3 ASP A 122 -16.823 6.176 -9.033 1.00 0.00 H new ATOM 1972 N LYS A 123 -15.182 8.338 -8.946 1.00 0.00 N ATOM 1973 CA LYS A 123 -15.433 9.769 -8.934 1.00 0.00 C ATOM 1974 C LYS A 123 -14.162 10.509 -9.357 1.00 0.00 C ATOM 1975 O LYS A 123 -14.175 11.274 -10.319 1.00 0.00 O ATOM 1976 CB LYS A 123 -15.975 10.207 -7.572 1.00 0.00 C ATOM 1977 CG LYS A 123 -17.452 10.596 -7.669 1.00 0.00 C ATOM 1978 CD LYS A 123 -18.237 10.075 -6.463 1.00 0.00 C ATOM 1979 CE LYS A 123 -19.335 11.058 -6.057 1.00 0.00 C ATOM 1980 NZ LYS A 123 -18.742 12.322 -5.564 1.00 0.00 N ATOM 0 H LYS A 123 -15.033 7.923 -8.026 1.00 0.00 H new ATOM 0 HA LYS A 123 -16.208 10.026 -9.657 1.00 0.00 H new ATOM 0 HB2 LYS A 123 -15.855 9.398 -6.852 1.00 0.00 H new ATOM 0 HB3 LYS A 123 -15.396 11.053 -7.201 1.00 0.00 H new ATOM 0 HG2 LYS A 123 -17.543 11.681 -7.726 1.00 0.00 H new ATOM 0 HG3 LYS A 123 -17.879 10.192 -8.587 1.00 0.00 H new ATOM 0 HD2 LYS A 123 -18.680 9.108 -6.703 1.00 0.00 H new ATOM 0 HD3 LYS A 123 -17.559 9.915 -5.625 1.00 0.00 H new ATOM 0 HE2 LYS A 123 -19.983 11.261 -6.910 1.00 0.00 H new ATOM 0 HE3 LYS A 123 -19.959 10.615 -5.281 1.00 0.00 H new ATOM 0 HZ1 LYS A 123 -19.390 12.767 -4.883 1.00 0.00 H new ATOM 0 HZ2 LYS A 123 -17.834 12.121 -5.098 1.00 0.00 H new ATOM 0 HZ3 LYS A 123 -18.585 12.967 -6.364 1.00 0.00 H new ATOM 1994 N ALA A 124 -13.093 10.255 -8.614 1.00 0.00 N ATOM 1995 CA ALA A 124 -11.817 10.887 -8.900 1.00 0.00 C ATOM 1996 C ALA A 124 -11.615 10.956 -10.416 1.00 0.00 C ATOM 1997 O ALA A 124 -11.142 11.966 -10.936 1.00 0.00 O ATOM 1998 CB ALA A 124 -10.697 10.117 -8.197 1.00 0.00 C ATOM 0 H ALA A 124 -13.086 9.621 -7.815 1.00 0.00 H new ATOM 0 HA ALA A 124 -11.800 11.908 -8.518 1.00 0.00 H new ATOM 0 HB1 ALA A 124 -9.739 10.591 -8.412 1.00 0.00 H new ATOM 0 HB2 ALA A 124 -10.872 10.122 -7.121 1.00 0.00 H new ATOM 0 HB3 ALA A 124 -10.681 9.088 -8.557 1.00 0.00 H new ATOM 2004 N MET A 125 -11.980 9.871 -11.079 1.00 0.00 N ATOM 2005 CA MET A 125 -11.845 9.795 -12.524 1.00 0.00 C ATOM 2006 C MET A 125 -12.632 10.915 -13.208 1.00 0.00 C ATOM 2007 O MET A 125 -12.097 11.625 -14.058 1.00 0.00 O ATOM 2008 CB MET A 125 -12.355 8.439 -13.015 1.00 0.00 C ATOM 2009 CG MET A 125 -11.519 7.296 -12.436 1.00 0.00 C ATOM 2010 SD MET A 125 -12.385 5.747 -12.629 1.00 0.00 S ATOM 2011 CE MET A 125 -11.121 4.786 -13.446 1.00 0.00 C ATOM 0 H MET A 125 -12.370 9.035 -10.643 1.00 0.00 H new ATOM 0 HA MET A 125 -10.791 9.910 -12.778 1.00 0.00 H new ATOM 0 HB2 MET A 125 -13.399 8.313 -12.727 1.00 0.00 H new ATOM 0 HB3 MET A 125 -12.319 8.405 -14.104 1.00 0.00 H new ATOM 0 HG2 MET A 125 -10.554 7.248 -12.941 1.00 0.00 H new ATOM 0 HG3 MET A 125 -11.317 7.480 -11.381 1.00 0.00 H new ATOM 0 HE1 MET A 125 -11.584 4.120 -14.174 1.00 0.00 H new ATOM 0 HE2 MET A 125 -10.428 5.455 -13.956 1.00 0.00 H new ATOM 0 HE3 MET A 125 -10.578 4.196 -12.708 1.00 0.00 H new ATOM 2021 N LYS A 126 -13.889 11.039 -12.810 1.00 0.00 N ATOM 2022 CA LYS A 126 -14.756 12.060 -13.373 1.00 0.00 C ATOM 2023 C LYS A 126 -14.604 13.353 -12.569 1.00 0.00 C ATOM 2024 O LYS A 126 -15.595 13.999 -12.233 1.00 0.00 O ATOM 2025 CB LYS A 126 -16.198 11.554 -13.457 1.00 0.00 C ATOM 2026 CG LYS A 126 -16.579 11.221 -14.901 1.00 0.00 C ATOM 2027 CD LYS A 126 -17.571 12.245 -15.456 1.00 0.00 C ATOM 2028 CE LYS A 126 -19.007 11.878 -15.077 1.00 0.00 C ATOM 2029 NZ LYS A 126 -19.543 12.840 -14.089 1.00 0.00 N ATOM 0 H LYS A 126 -14.329 10.449 -12.104 1.00 0.00 H new ATOM 0 HA LYS A 126 -14.462 12.285 -14.398 1.00 0.00 H new ATOM 0 HB2 LYS A 126 -16.313 10.668 -12.833 1.00 0.00 H new ATOM 0 HB3 LYS A 126 -16.876 12.311 -13.063 1.00 0.00 H new ATOM 0 HG2 LYS A 126 -15.684 11.203 -15.522 1.00 0.00 H new ATOM 0 HG3 LYS A 126 -17.017 10.224 -14.945 1.00 0.00 H new ATOM 0 HD2 LYS A 126 -17.331 13.236 -15.070 1.00 0.00 H new ATOM 0 HD3 LYS A 126 -17.479 12.295 -16.541 1.00 0.00 H new ATOM 0 HE2 LYS A 126 -19.635 11.874 -15.968 1.00 0.00 H new ATOM 0 HE3 LYS A 126 -19.034 10.870 -14.664 1.00 0.00 H new ATOM 0 HZ1 LYS A 126 -20.535 12.607 -13.880 1.00 0.00 H new ATOM 0 HZ2 LYS A 126 -18.983 12.787 -13.214 1.00 0.00 H new ATOM 0 HZ3 LYS A 126 -19.488 13.803 -14.477 1.00 0.00 H new ATOM 2043 N LYS A 127 -13.354 13.691 -12.284 1.00 0.00 N ATOM 2044 CA LYS A 127 -13.060 14.894 -11.525 1.00 0.00 C ATOM 2045 C LYS A 127 -11.881 15.623 -12.172 1.00 0.00 C ATOM 2046 O LYS A 127 -12.024 16.752 -12.640 1.00 0.00 O ATOM 2047 CB LYS A 127 -12.840 14.557 -10.049 1.00 0.00 C ATOM 2048 CG LYS A 127 -14.174 14.340 -9.332 1.00 0.00 C ATOM 2049 CD LYS A 127 -13.969 13.608 -8.004 1.00 0.00 C ATOM 2050 CE LYS A 127 -14.722 14.308 -6.871 1.00 0.00 C ATOM 2051 NZ LYS A 127 -14.624 13.523 -5.621 1.00 0.00 N ATOM 0 H LYS A 127 -12.535 13.153 -12.565 1.00 0.00 H new ATOM 0 HA LYS A 127 -13.910 15.576 -11.548 1.00 0.00 H new ATOM 0 HB2 LYS A 127 -12.227 13.659 -9.965 1.00 0.00 H new ATOM 0 HB3 LYS A 127 -12.290 15.365 -9.566 1.00 0.00 H new ATOM 0 HG2 LYS A 127 -14.655 15.301 -9.151 1.00 0.00 H new ATOM 0 HG3 LYS A 127 -14.844 13.764 -9.970 1.00 0.00 H new ATOM 0 HD2 LYS A 127 -14.316 12.579 -8.095 1.00 0.00 H new ATOM 0 HD3 LYS A 127 -12.906 13.566 -7.768 1.00 0.00 H new ATOM 0 HE2 LYS A 127 -14.310 15.305 -6.714 1.00 0.00 H new ATOM 0 HE3 LYS A 127 -15.769 14.435 -7.146 1.00 0.00 H new ATOM 0 HZ1 LYS A 127 -15.476 13.679 -5.046 1.00 0.00 H new ATOM 0 HZ2 LYS A 127 -14.542 12.512 -5.851 1.00 0.00 H new ATOM 0 HZ3 LYS A 127 -13.785 13.826 -5.086 1.00 0.00 H new