USER MOD reduce.3.24.130724 H: found=0, std=0, add=1116, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 1119 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 128 ASN : amide:sc= 0.479 K(o=0.95,f=-0.0015) USER MOD Set 1.2: A 129 ASN : amide:sc= 0.475 K(o=0.95,f=0) USER MOD Set 2.1: A 91 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 100 LYS NZ :NH3+ -144:sc= -0.106 (180deg=-1.21) USER MOD Set 3.1: A 48 GLN : amide:sc= -0.0279 K(o=-0.028,f=0.61) USER MOD Set 3.2: A 74 TYR OH : rot 165:sc= 0 USER MOD Set 4.1: A 32 THR OG1 : rot 83:sc= 0.831 USER MOD Set 4.2: A 33 HIS : no HD1:sc= 1.59 K(o=2.4,f=-4.8!) USER MOD Set 5.1: A 18 HIS : no HD1:sc= 0.952 K(o=1.5,f=-12!) USER MOD Set 5.2: A 105 TYR OH : rot -178:sc= 0.54 USER MOD Set 5.3: A 119 HIS : no HD1:sc= -0.0117 X(o=1.5,f=1.5) USER MOD Single : A 11 GLN : amide:sc= -0.698 K(o=-0.7,f=-0.033) USER MOD Single : A 13 LYS NZ :NH3+ -153:sc= -1.82! (180deg=-2.96!) USER MOD Single : A 21 GLN : amide:sc= 0.045 X(o=0.045,f=-0.028) USER MOD Single : A 24 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0474) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 THR OG1 : rot 180:sc= -0.118 USER MOD Single : A 36 MET CE :methyl 159:sc= -2.93 (180deg=-5.7!) USER MOD Single : A 44 HIS : no HD1:sc= -0.409 X(o=-0.41,f=0.01) USER MOD Single : A 45 SER OG : rot 31:sc= 0.0612 USER MOD Single : A 46 ASN : amide:sc= -1.67! K(o=-1.7!,f=-0.088) USER MOD Single : A 49 HIS : no HD1:sc= -0.143 X(o=-0.14,f=-0.35) USER MOD Single : A 53 LYS NZ :NH3+ -166:sc= 0.57 (180deg=0.312) USER MOD Single : A 57 HIS : no HD1:sc= 1.16 K(o=1.2,f=-5!) USER MOD Single : A 59 HIS : no HD1:sc= -0.657 K(o=-0.66,f=-0.049) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 CYS SG : rot 5:sc= 0.197 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ -147:sc= 1.31 (180deg=0.112) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 93 LYS NZ :NH3+ -114:sc= 0.263 (180deg=0) USER MOD Single : A 94 ASN : amide:sc= -5.13! C(o=-5.1!,f=-6.5!) USER MOD Single : A 95 LYS NZ :NH3+ 137:sc= -1.32 (180deg=-3.86!) USER MOD Single : A 110 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 118 ASN : amide:sc= -0.315 K(o=-0.31,f=-1.5) USER MOD Single : A 122 CYS SG : rot 32:sc= 0.0792 USER MOD Single : A 124 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 126 THR OG1 : rot 180:sc= 0 USER MOD Single : A 131 THR OG1 : rot 180:sc= 0 USER MOD Single : A 137 LYS NZ :NH3+ 144:sc= 0.0209 (180deg=-3.24!) USER MOD Single : A 140 LYS NZ :NH3+ -162:sc= -0.0163 (180deg=-0.254) USER MOD ----------------------------------------------------------------- ATOM 99 N ALA A 9 23.115 2.748 8.205 1.00 0.00 N ATOM 100 CA ALA A 9 21.760 2.302 7.944 1.00 0.00 C ATOM 101 C ALA A 9 21.084 3.244 6.960 1.00 0.00 C ATOM 102 O ALA A 9 20.971 4.444 7.215 1.00 0.00 O ATOM 103 CB ALA A 9 20.963 2.225 9.239 1.00 0.00 C ATOM 0 HA ALA A 9 21.798 1.304 7.507 1.00 0.00 H new ATOM 0 HB1 ALA A 9 19.949 1.889 9.023 1.00 0.00 H new ATOM 0 HB2 ALA A 9 21.442 1.521 9.919 1.00 0.00 H new ATOM 0 HB3 ALA A 9 20.927 3.211 9.703 1.00 0.00 H new ATOM 109 N VAL A 10 20.648 2.708 5.834 1.00 0.00 N ATOM 110 CA VAL A 10 19.956 3.505 4.837 1.00 0.00 C ATOM 111 C VAL A 10 18.456 3.304 4.985 1.00 0.00 C ATOM 112 O VAL A 10 17.974 2.171 5.014 1.00 0.00 O ATOM 113 CB VAL A 10 20.397 3.151 3.399 1.00 0.00 C ATOM 114 CG1 VAL A 10 19.718 4.070 2.398 1.00 0.00 C ATOM 115 CG2 VAL A 10 21.913 3.233 3.246 1.00 0.00 C ATOM 0 H VAL A 10 20.761 1.725 5.587 1.00 0.00 H new ATOM 0 HA VAL A 10 20.214 4.551 5.005 1.00 0.00 H new ATOM 0 HB VAL A 10 20.095 2.123 3.200 1.00 0.00 H new ATOM 0 HG11 VAL A 10 20.038 3.809 1.389 1.00 0.00 H new ATOM 0 HG12 VAL A 10 18.637 3.958 2.476 1.00 0.00 H new ATOM 0 HG13 VAL A 10 19.991 5.104 2.609 1.00 0.00 H new ATOM 0 HG21 VAL A 10 22.190 2.978 2.223 1.00 0.00 H new ATOM 0 HG22 VAL A 10 22.247 4.246 3.471 1.00 0.00 H new ATOM 0 HG23 VAL A 10 22.387 2.534 3.935 1.00 0.00 H new ATOM 125 N GLN A 11 17.731 4.403 5.113 1.00 0.00 N ATOM 126 CA GLN A 11 16.301 4.344 5.373 1.00 0.00 C ATOM 127 C GLN A 11 15.515 4.621 4.106 1.00 0.00 C ATOM 128 O GLN A 11 15.892 5.479 3.305 1.00 0.00 O ATOM 129 CB GLN A 11 15.903 5.377 6.439 1.00 0.00 C ATOM 130 CG GLN A 11 16.800 5.414 7.671 1.00 0.00 C ATOM 131 CD GLN A 11 17.036 6.824 8.181 1.00 0.00 C ATOM 132 OE1 GLN A 11 18.086 7.122 8.753 1.00 0.00 O ATOM 133 NE2 GLN A 11 16.061 7.700 7.990 1.00 0.00 N ATOM 0 H GLN A 11 18.109 5.348 5.041 1.00 0.00 H new ATOM 0 HA GLN A 11 16.070 3.341 5.732 1.00 0.00 H new ATOM 0 HB2 GLN A 11 15.900 6.366 5.981 1.00 0.00 H new ATOM 0 HB3 GLN A 11 14.881 5.171 6.759 1.00 0.00 H new ATOM 0 HG2 GLN A 11 16.348 4.816 8.463 1.00 0.00 H new ATOM 0 HG3 GLN A 11 17.758 4.953 7.432 1.00 0.00 H new ATOM 0 HE21 GLN A 11 15.206 7.415 7.512 1.00 0.00 H new ATOM 0 HE22 GLN A 11 16.165 8.659 8.321 1.00 0.00 H new ATOM 142 N VAL A 12 14.435 3.886 3.920 1.00 0.00 N ATOM 143 CA VAL A 12 13.515 4.149 2.843 1.00 0.00 C ATOM 144 C VAL A 12 12.149 4.473 3.435 1.00 0.00 C ATOM 145 O VAL A 12 11.774 3.919 4.475 1.00 0.00 O ATOM 146 CB VAL A 12 13.427 2.940 1.893 1.00 0.00 C ATOM 147 CG1 VAL A 12 14.760 2.700 1.203 1.00 0.00 C ATOM 148 CG2 VAL A 12 13.018 1.713 2.653 1.00 0.00 C ATOM 0 H VAL A 12 14.176 3.095 4.510 1.00 0.00 H new ATOM 0 HA VAL A 12 13.869 4.998 2.259 1.00 0.00 H new ATOM 0 HB VAL A 12 12.676 3.157 1.133 1.00 0.00 H new ATOM 0 HG11 VAL A 12 14.675 1.842 0.537 1.00 0.00 H new ATOM 0 HG12 VAL A 12 15.035 3.582 0.625 1.00 0.00 H new ATOM 0 HG13 VAL A 12 15.527 2.504 1.952 1.00 0.00 H new ATOM 0 HG21 VAL A 12 12.959 0.865 1.971 1.00 0.00 H new ATOM 0 HG22 VAL A 12 13.754 1.504 3.429 1.00 0.00 H new ATOM 0 HG23 VAL A 12 12.043 1.877 3.112 1.00 0.00 H new ATOM 158 N LYS A 13 11.409 5.372 2.803 1.00 0.00 N ATOM 159 CA LYS A 13 10.135 5.808 3.366 1.00 0.00 C ATOM 160 C LYS A 13 9.015 5.433 2.408 1.00 0.00 C ATOM 161 O LYS A 13 8.987 5.886 1.268 1.00 0.00 O ATOM 162 CB LYS A 13 10.132 7.336 3.655 1.00 0.00 C ATOM 163 CG LYS A 13 8.926 7.835 4.492 1.00 0.00 C ATOM 164 CD LYS A 13 7.650 7.926 3.667 1.00 0.00 C ATOM 165 CE LYS A 13 6.786 9.086 4.131 1.00 0.00 C ATOM 166 NZ LYS A 13 5.568 9.252 3.297 1.00 0.00 N ATOM 0 H LYS A 13 11.660 5.809 1.916 1.00 0.00 H new ATOM 0 HA LYS A 13 9.980 5.305 4.321 1.00 0.00 H new ATOM 0 HB2 LYS A 13 11.052 7.595 4.179 1.00 0.00 H new ATOM 0 HB3 LYS A 13 10.144 7.872 2.706 1.00 0.00 H new ATOM 0 HG2 LYS A 13 8.765 7.160 5.333 1.00 0.00 H new ATOM 0 HG3 LYS A 13 9.157 8.815 4.910 1.00 0.00 H new ATOM 0 HD2 LYS A 13 7.901 8.053 2.614 1.00 0.00 H new ATOM 0 HD3 LYS A 13 7.091 6.994 3.751 1.00 0.00 H new ATOM 0 HE2 LYS A 13 6.494 8.926 5.169 1.00 0.00 H new ATOM 0 HE3 LYS A 13 7.371 10.005 4.103 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 5.263 10.246 3.321 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 5.779 8.978 2.316 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 4.808 8.648 3.669 1.00 0.00 H new ATOM 180 N LEU A 14 8.111 4.583 2.856 1.00 0.00 N ATOM 181 CA LEU A 14 6.953 4.241 2.058 1.00 0.00 C ATOM 182 C LEU A 14 5.704 4.811 2.704 1.00 0.00 C ATOM 183 O LEU A 14 5.630 4.958 3.920 1.00 0.00 O ATOM 184 CB LEU A 14 6.831 2.731 1.889 1.00 0.00 C ATOM 185 CG LEU A 14 7.971 2.071 1.102 1.00 0.00 C ATOM 186 CD1 LEU A 14 7.823 0.564 1.125 1.00 0.00 C ATOM 187 CD2 LEU A 14 7.988 2.566 -0.336 1.00 0.00 C ATOM 0 H LEU A 14 8.157 4.120 3.764 1.00 0.00 H new ATOM 0 HA LEU A 14 7.071 4.675 1.065 1.00 0.00 H new ATOM 0 HB2 LEU A 14 6.779 2.273 2.877 1.00 0.00 H new ATOM 0 HB3 LEU A 14 5.889 2.512 1.387 1.00 0.00 H new ATOM 0 HG LEU A 14 8.914 2.343 1.576 1.00 0.00 H new ATOM 0 HD11 LEU A 14 8.639 0.110 0.563 1.00 0.00 H new ATOM 0 HD12 LEU A 14 7.852 0.211 2.156 1.00 0.00 H new ATOM 0 HD13 LEU A 14 6.871 0.285 0.673 1.00 0.00 H new ATOM 0 HD21 LEU A 14 8.804 2.086 -0.876 1.00 0.00 H new ATOM 0 HD22 LEU A 14 7.041 2.321 -0.816 1.00 0.00 H new ATOM 0 HD23 LEU A 14 8.132 3.646 -0.347 1.00 0.00 H new ATOM 199 N GLU A 15 4.745 5.156 1.885 1.00 0.00 N ATOM 200 CA GLU A 15 3.529 5.791 2.352 1.00 0.00 C ATOM 201 C GLU A 15 2.301 4.957 1.999 1.00 0.00 C ATOM 202 O GLU A 15 2.108 4.579 0.843 1.00 0.00 O ATOM 203 CB GLU A 15 3.442 7.199 1.751 1.00 0.00 C ATOM 204 CG GLU A 15 2.176 7.964 2.096 1.00 0.00 C ATOM 205 CD GLU A 15 2.289 9.439 1.770 1.00 0.00 C ATOM 206 OE1 GLU A 15 2.655 9.778 0.627 1.00 0.00 O ATOM 207 OE2 GLU A 15 2.028 10.271 2.662 1.00 0.00 O ATOM 0 H GLU A 15 4.780 5.007 0.876 1.00 0.00 H new ATOM 0 HA GLU A 15 3.555 5.868 3.439 1.00 0.00 H new ATOM 0 HB2 GLU A 15 4.302 7.777 2.090 1.00 0.00 H new ATOM 0 HB3 GLU A 15 3.518 7.121 0.666 1.00 0.00 H new ATOM 0 HG2 GLU A 15 1.335 7.537 1.549 1.00 0.00 H new ATOM 0 HG3 GLU A 15 1.960 7.844 3.158 1.00 0.00 H new ATOM 214 N LEU A 16 1.488 4.667 3.012 1.00 0.00 N ATOM 215 CA LEU A 16 0.225 3.963 2.820 1.00 0.00 C ATOM 216 C LEU A 16 -0.883 4.978 2.707 1.00 0.00 C ATOM 217 O LEU A 16 -0.894 5.970 3.433 1.00 0.00 O ATOM 218 CB LEU A 16 -0.124 3.035 3.988 1.00 0.00 C ATOM 219 CG LEU A 16 0.648 1.722 4.102 1.00 0.00 C ATOM 220 CD1 LEU A 16 0.669 0.989 2.780 1.00 0.00 C ATOM 221 CD2 LEU A 16 2.055 1.967 4.589 1.00 0.00 C ATOM 0 H LEU A 16 1.685 4.912 3.982 1.00 0.00 H new ATOM 0 HA LEU A 16 0.332 3.358 1.920 1.00 0.00 H new ATOM 0 HB2 LEU A 16 0.021 3.591 4.914 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -1.185 2.796 3.922 1.00 0.00 H new ATOM 0 HG LEU A 16 0.134 1.096 4.832 1.00 0.00 H new ATOM 0 HD11 LEU A 16 1.225 0.058 2.889 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -0.352 0.768 2.470 1.00 0.00 H new ATOM 0 HD13 LEU A 16 1.150 1.612 2.026 1.00 0.00 H new ATOM 0 HD21 LEU A 16 2.585 1.017 4.662 1.00 0.00 H new ATOM 0 HD22 LEU A 16 2.574 2.619 3.887 1.00 0.00 H new ATOM 0 HD23 LEU A 16 2.023 2.441 5.570 1.00 0.00 H new ATOM 233 N GLY A 17 -1.823 4.725 1.836 1.00 0.00 N ATOM 234 CA GLY A 17 -2.889 5.668 1.644 1.00 0.00 C ATOM 235 C GLY A 17 -4.162 5.030 1.186 1.00 0.00 C ATOM 236 O GLY A 17 -4.168 3.874 0.763 1.00 0.00 O ATOM 0 H GLY A 17 -1.872 3.887 1.257 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -3.071 6.197 2.580 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -2.579 6.413 0.911 1.00 0.00 H new ATOM 240 N HIS A 18 -5.240 5.784 1.294 1.00 0.00 N ATOM 241 CA HIS A 18 -6.523 5.371 0.776 1.00 0.00 C ATOM 242 C HIS A 18 -7.529 6.505 0.931 1.00 0.00 C ATOM 243 O HIS A 18 -7.478 7.275 1.893 1.00 0.00 O ATOM 244 CB HIS A 18 -7.022 4.079 1.470 1.00 0.00 C ATOM 245 CG HIS A 18 -8.165 4.270 2.421 1.00 0.00 C ATOM 246 ND1 HIS A 18 -8.018 4.823 3.673 1.00 0.00 N ATOM 247 CD2 HIS A 18 -9.487 4.010 2.278 1.00 0.00 C ATOM 248 CE1 HIS A 18 -9.196 4.903 4.255 1.00 0.00 C ATOM 249 NE2 HIS A 18 -10.100 4.415 3.433 1.00 0.00 N ATOM 0 H HIS A 18 -5.247 6.699 1.744 1.00 0.00 H new ATOM 0 HA HIS A 18 -6.414 5.142 -0.284 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -7.323 3.366 0.703 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -6.189 3.631 2.012 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -9.966 3.568 1.417 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -9.388 5.302 5.240 1.00 0.00 H new ATOM 0 HE2 HIS A 18 -11.099 4.349 3.626 1.00 0.00 H new ATOM 258 N ARG A 19 -8.421 6.601 -0.030 1.00 0.00 N ATOM 259 CA ARG A 19 -9.535 7.524 0.039 1.00 0.00 C ATOM 260 C ARG A 19 -10.819 6.729 -0.045 1.00 0.00 C ATOM 261 O ARG A 19 -10.810 5.605 -0.543 1.00 0.00 O ATOM 262 CB ARG A 19 -9.500 8.528 -1.110 1.00 0.00 C ATOM 263 CG ARG A 19 -8.251 9.381 -1.177 1.00 0.00 C ATOM 264 CD ARG A 19 -8.325 10.318 -2.368 1.00 0.00 C ATOM 265 NE ARG A 19 -9.442 11.256 -2.251 1.00 0.00 N ATOM 266 CZ ARG A 19 -9.924 11.981 -3.258 1.00 0.00 C ATOM 267 NH1 ARG A 19 -9.387 11.892 -4.469 1.00 0.00 N ATOM 268 NH2 ARG A 19 -10.950 12.795 -3.049 1.00 0.00 N ATOM 0 H ARG A 19 -8.395 6.041 -0.882 1.00 0.00 H new ATOM 0 HA ARG A 19 -9.473 8.077 0.976 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -9.602 7.985 -2.050 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -10.366 9.185 -1.025 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -8.144 9.956 -0.257 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -7.370 8.744 -1.259 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -7.391 10.873 -2.452 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -8.433 9.736 -3.283 1.00 0.00 H new ATOM 0 HE ARG A 19 -9.881 11.361 -1.336 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -8.599 11.265 -4.633 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -9.762 12.451 -5.235 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -11.366 12.863 -2.120 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -11.323 13.353 -3.817 1.00 0.00 H new ATOM 282 N ALA A 20 -11.908 7.283 0.453 1.00 0.00 N ATOM 283 CA ALA A 20 -13.200 6.633 0.324 1.00 0.00 C ATOM 284 C ALA A 20 -14.295 7.637 0.008 1.00 0.00 C ATOM 285 O ALA A 20 -14.314 8.754 0.542 1.00 0.00 O ATOM 286 CB ALA A 20 -13.542 5.853 1.579 1.00 0.00 C ATOM 0 H ALA A 20 -11.926 8.175 0.947 1.00 0.00 H new ATOM 0 HA ALA A 20 -13.133 5.934 -0.509 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -14.514 5.376 1.457 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -12.782 5.091 1.752 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -13.575 6.532 2.431 1.00 0.00 H new ATOM 292 N GLN A 21 -15.195 7.223 -0.875 1.00 0.00 N ATOM 293 CA GLN A 21 -16.349 8.016 -1.262 1.00 0.00 C ATOM 294 C GLN A 21 -17.520 7.089 -1.556 1.00 0.00 C ATOM 295 O GLN A 21 -17.331 5.981 -2.060 1.00 0.00 O ATOM 296 CB GLN A 21 -16.016 8.906 -2.475 1.00 0.00 C ATOM 297 CG GLN A 21 -15.839 8.195 -3.815 1.00 0.00 C ATOM 298 CD GLN A 21 -17.085 8.211 -4.685 1.00 0.00 C ATOM 299 OE1 GLN A 21 -17.312 9.152 -5.443 1.00 0.00 O ATOM 300 NE2 GLN A 21 -17.888 7.161 -4.608 1.00 0.00 N ATOM 0 H GLN A 21 -15.142 6.319 -1.345 1.00 0.00 H new ATOM 0 HA GLN A 21 -16.626 8.679 -0.442 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -16.810 9.645 -2.584 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -15.099 9.453 -2.255 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -15.020 8.665 -4.360 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -15.548 7.161 -3.632 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -17.669 6.398 -3.968 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -18.725 7.116 -5.189 1.00 0.00 H new ATOM 309 N VAL A 22 -18.720 7.516 -1.209 1.00 0.00 N ATOM 310 CA VAL A 22 -19.897 6.693 -1.426 1.00 0.00 C ATOM 311 C VAL A 22 -20.671 7.196 -2.635 1.00 0.00 C ATOM 312 O VAL A 22 -20.783 8.402 -2.860 1.00 0.00 O ATOM 313 CB VAL A 22 -20.827 6.667 -0.183 1.00 0.00 C ATOM 314 CG1 VAL A 22 -21.536 7.992 0.015 1.00 0.00 C ATOM 315 CG2 VAL A 22 -21.844 5.539 -0.277 1.00 0.00 C ATOM 0 H VAL A 22 -18.906 8.422 -0.778 1.00 0.00 H new ATOM 0 HA VAL A 22 -19.553 5.674 -1.605 1.00 0.00 H new ATOM 0 HB VAL A 22 -20.191 6.490 0.684 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -22.177 7.934 0.895 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -20.798 8.782 0.156 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -22.143 8.214 -0.863 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -22.480 5.548 0.608 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -22.459 5.676 -1.167 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -21.323 4.584 -0.340 1.00 0.00 H new ATOM 325 N ARG A 23 -21.172 6.276 -3.426 1.00 0.00 N ATOM 326 CA ARG A 23 -22.092 6.617 -4.490 1.00 0.00 C ATOM 327 C ARG A 23 -23.498 6.386 -3.977 1.00 0.00 C ATOM 328 O ARG A 23 -23.797 5.323 -3.429 1.00 0.00 O ATOM 329 CB ARG A 23 -21.817 5.786 -5.747 1.00 0.00 C ATOM 330 CG ARG A 23 -21.161 4.450 -5.454 1.00 0.00 C ATOM 331 CD ARG A 23 -21.665 3.352 -6.374 1.00 0.00 C ATOM 332 NE ARG A 23 -21.441 3.656 -7.785 1.00 0.00 N ATOM 333 CZ ARG A 23 -20.384 3.233 -8.482 1.00 0.00 C ATOM 334 NH1 ARG A 23 -19.386 2.609 -7.872 1.00 0.00 N ATOM 335 NH2 ARG A 23 -20.302 3.476 -9.782 1.00 0.00 N ATOM 0 H ARG A 23 -20.958 5.281 -3.354 1.00 0.00 H new ATOM 0 HA ARG A 23 -21.965 7.662 -4.774 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -22.756 5.614 -6.272 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -21.176 6.358 -6.419 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -20.081 4.546 -5.562 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -21.354 4.171 -4.418 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -21.166 2.416 -6.124 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -22.731 3.201 -6.203 1.00 0.00 H new ATOM 0 HE ARG A 23 -22.135 4.227 -8.268 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -19.423 2.450 -6.865 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -18.581 2.288 -8.410 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -21.048 3.988 -10.253 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -19.493 3.151 -10.311 1.00 0.00 H new ATOM 349 N LYS A 24 -24.349 7.393 -4.135 1.00 0.00 N ATOM 350 CA LYS A 24 -25.685 7.373 -3.549 1.00 0.00 C ATOM 351 C LYS A 24 -26.511 6.228 -4.127 1.00 0.00 C ATOM 352 O LYS A 24 -27.549 5.852 -3.578 1.00 0.00 O ATOM 353 CB LYS A 24 -26.396 8.707 -3.790 1.00 0.00 C ATOM 354 CG LYS A 24 -27.625 8.919 -2.923 1.00 0.00 C ATOM 355 CD LYS A 24 -27.309 9.742 -1.681 1.00 0.00 C ATOM 356 CE LYS A 24 -28.515 9.853 -0.764 1.00 0.00 C ATOM 357 NZ LYS A 24 -28.814 8.570 -0.076 1.00 0.00 N ATOM 0 H LYS A 24 -24.137 8.237 -4.666 1.00 0.00 H new ATOM 0 HA LYS A 24 -25.582 7.219 -2.475 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -25.692 9.520 -3.609 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -26.689 8.766 -4.838 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -28.397 9.422 -3.505 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -28.030 7.952 -2.624 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -26.481 9.283 -1.141 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -26.983 10.739 -1.977 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -28.334 10.629 -0.020 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -29.384 10.164 -1.344 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -29.543 8.727 0.649 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -29.160 7.876 -0.770 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -27.949 8.208 0.374 1.00 0.00 H new ATOM 371 N LYS A 25 -26.037 5.671 -5.226 1.00 0.00 N ATOM 372 CA LYS A 25 -26.661 4.506 -5.810 1.00 0.00 C ATOM 373 C LYS A 25 -25.634 3.396 -5.952 1.00 0.00 C ATOM 374 O LYS A 25 -24.696 3.501 -6.750 1.00 0.00 O ATOM 375 CB LYS A 25 -27.293 4.819 -7.166 1.00 0.00 C ATOM 376 CG LYS A 25 -27.930 3.598 -7.805 1.00 0.00 C ATOM 377 CD LYS A 25 -28.893 3.972 -8.904 1.00 0.00 C ATOM 378 CE LYS A 25 -29.598 2.737 -9.431 1.00 0.00 C ATOM 379 NZ LYS A 25 -30.673 3.072 -10.399 1.00 0.00 N ATOM 0 H LYS A 25 -25.219 6.011 -5.731 1.00 0.00 H new ATOM 0 HA LYS A 25 -27.462 4.183 -5.145 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -28.048 5.595 -7.041 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -26.531 5.220 -7.835 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -27.150 2.953 -8.210 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -28.456 3.023 -7.043 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -29.627 4.684 -8.527 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -28.356 4.466 -9.714 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -28.870 2.083 -9.912 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -30.024 2.181 -8.596 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -31.126 2.197 -10.731 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -31.383 3.674 -9.935 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -30.264 3.580 -11.209 1.00 0.00 H new ATOM 393 N PRO A 26 -25.787 2.331 -5.152 1.00 0.00 N ATOM 394 CA PRO A 26 -24.913 1.162 -5.220 1.00 0.00 C ATOM 395 C PRO A 26 -24.913 0.557 -6.610 1.00 0.00 C ATOM 396 O PRO A 26 -25.859 0.738 -7.377 1.00 0.00 O ATOM 397 CB PRO A 26 -25.522 0.181 -4.216 1.00 0.00 C ATOM 398 CG PRO A 26 -26.356 1.016 -3.306 1.00 0.00 C ATOM 399 CD PRO A 26 -26.827 2.187 -4.120 1.00 0.00 C ATOM 0 HA PRO A 26 -23.876 1.412 -4.997 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -26.125 -0.574 -4.720 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -24.746 -0.348 -3.663 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -27.201 0.446 -2.921 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -25.777 1.349 -2.445 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -27.806 2.001 -4.561 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -26.917 3.088 -3.513 1.00 0.00 H new ATOM 407 N THR A 27 -23.855 -0.159 -6.933 1.00 0.00 N ATOM 408 CA THR A 27 -23.745 -0.786 -8.235 1.00 0.00 C ATOM 409 C THR A 27 -24.680 -1.989 -8.299 1.00 0.00 C ATOM 410 O THR A 27 -25.354 -2.297 -7.317 1.00 0.00 O ATOM 411 CB THR A 27 -22.286 -1.211 -8.545 1.00 0.00 C ATOM 412 OG1 THR A 27 -22.188 -1.829 -9.835 1.00 0.00 O ATOM 413 CG2 THR A 27 -21.755 -2.158 -7.485 1.00 0.00 C ATOM 0 H THR A 27 -23.061 -0.321 -6.314 1.00 0.00 H new ATOM 0 HA THR A 27 -24.036 -0.058 -8.993 1.00 0.00 H new ATOM 0 HB THR A 27 -21.680 -0.305 -8.544 1.00 0.00 H new ATOM 0 HG1 THR A 27 -21.258 -2.085 -10.005 1.00 0.00 H new ATOM 0 HG21 THR A 27 -20.730 -2.439 -7.729 1.00 0.00 H new ATOM 0 HG22 THR A 27 -21.775 -1.664 -6.513 1.00 0.00 H new ATOM 0 HG23 THR A 27 -22.378 -3.052 -7.451 1.00 0.00 H new ATOM 421 N VAL A 28 -24.717 -2.655 -9.438 1.00 0.00 N ATOM 422 CA VAL A 28 -25.586 -3.809 -9.645 1.00 0.00 C ATOM 423 C VAL A 28 -25.508 -4.819 -8.488 1.00 0.00 C ATOM 424 O VAL A 28 -26.526 -5.372 -8.069 1.00 0.00 O ATOM 425 CB VAL A 28 -25.241 -4.497 -10.978 1.00 0.00 C ATOM 426 CG1 VAL A 28 -23.743 -4.741 -11.083 1.00 0.00 C ATOM 427 CG2 VAL A 28 -26.018 -5.794 -11.140 1.00 0.00 C ATOM 0 H VAL A 28 -24.147 -2.415 -10.249 1.00 0.00 H new ATOM 0 HA VAL A 28 -26.611 -3.440 -9.678 1.00 0.00 H new ATOM 0 HB VAL A 28 -25.534 -3.831 -11.790 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -23.519 -5.228 -12.032 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -23.215 -3.789 -11.030 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -23.420 -5.381 -10.262 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -25.755 -6.259 -12.090 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -25.769 -6.471 -10.323 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -27.087 -5.582 -11.123 1.00 0.00 H new ATOM 437 N GLU A 29 -24.307 -5.026 -7.953 1.00 0.00 N ATOM 438 CA GLU A 29 -24.105 -6.012 -6.893 1.00 0.00 C ATOM 439 C GLU A 29 -24.208 -5.380 -5.499 1.00 0.00 C ATOM 440 O GLU A 29 -23.922 -6.025 -4.490 1.00 0.00 O ATOM 441 CB GLU A 29 -22.757 -6.708 -7.077 1.00 0.00 C ATOM 442 CG GLU A 29 -22.625 -7.408 -8.424 1.00 0.00 C ATOM 443 CD GLU A 29 -21.388 -8.272 -8.522 1.00 0.00 C ATOM 444 OE1 GLU A 29 -21.444 -9.447 -8.094 1.00 0.00 O ATOM 445 OE2 GLU A 29 -20.356 -7.791 -9.031 1.00 0.00 O ATOM 0 H GLU A 29 -23.463 -4.527 -8.234 1.00 0.00 H new ATOM 0 HA GLU A 29 -24.900 -6.754 -6.967 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -21.959 -5.973 -6.976 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -22.620 -7.438 -6.280 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -23.507 -8.025 -8.594 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -22.602 -6.659 -9.216 1.00 0.00 H new ATOM 452 N GLY A 30 -24.608 -4.114 -5.453 1.00 0.00 N ATOM 453 CA GLY A 30 -24.915 -3.466 -4.189 1.00 0.00 C ATOM 454 C GLY A 30 -23.693 -2.953 -3.454 1.00 0.00 C ATOM 455 O GLY A 30 -23.667 -2.921 -2.224 1.00 0.00 O ATOM 0 H GLY A 30 -24.726 -3.521 -6.274 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -25.593 -2.633 -4.373 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -25.444 -4.172 -3.548 1.00 0.00 H new ATOM 459 N PHE A 31 -22.687 -2.544 -4.203 1.00 0.00 N ATOM 460 CA PHE A 31 -21.496 -1.959 -3.614 1.00 0.00 C ATOM 461 C PHE A 31 -21.686 -0.445 -3.518 1.00 0.00 C ATOM 462 O PHE A 31 -21.930 0.218 -4.527 1.00 0.00 O ATOM 463 CB PHE A 31 -20.252 -2.299 -4.446 1.00 0.00 C ATOM 464 CG PHE A 31 -20.084 -3.771 -4.756 1.00 0.00 C ATOM 465 CD1 PHE A 31 -20.580 -4.749 -3.905 1.00 0.00 C ATOM 466 CD2 PHE A 31 -19.422 -4.174 -5.905 1.00 0.00 C ATOM 467 CE1 PHE A 31 -20.419 -6.090 -4.195 1.00 0.00 C ATOM 468 CE2 PHE A 31 -19.260 -5.511 -6.200 1.00 0.00 C ATOM 469 CZ PHE A 31 -19.760 -6.472 -5.345 1.00 0.00 C ATOM 0 H PHE A 31 -22.670 -2.606 -5.221 1.00 0.00 H new ATOM 0 HA PHE A 31 -21.345 -2.371 -2.616 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -20.297 -1.746 -5.384 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -19.368 -1.950 -3.912 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -21.099 -4.458 -3.004 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -19.027 -3.429 -6.580 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -20.809 -6.839 -3.522 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -18.742 -5.806 -7.100 1.00 0.00 H new ATOM 0 HZ PHE A 31 -19.636 -7.520 -5.576 1.00 0.00 H new ATOM 479 N THR A 32 -21.610 0.081 -2.304 1.00 0.00 N ATOM 480 CA THR A 32 -21.930 1.483 -2.047 1.00 0.00 C ATOM 481 C THR A 32 -20.684 2.364 -1.935 1.00 0.00 C ATOM 482 O THR A 32 -20.687 3.522 -2.357 1.00 0.00 O ATOM 483 CB THR A 32 -22.749 1.628 -0.748 1.00 0.00 C ATOM 484 OG1 THR A 32 -22.007 1.134 0.378 1.00 0.00 O ATOM 485 CG2 THR A 32 -24.047 0.880 -0.853 1.00 0.00 C ATOM 0 H THR A 32 -21.328 -0.443 -1.476 1.00 0.00 H new ATOM 0 HA THR A 32 -22.513 1.819 -2.905 1.00 0.00 H new ATOM 0 HB THR A 32 -22.957 2.688 -0.603 1.00 0.00 H new ATOM 0 HG1 THR A 32 -21.400 1.832 0.702 1.00 0.00 H new ATOM 0 HG21 THR A 32 -24.609 0.995 0.074 1.00 0.00 H new ATOM 0 HG22 THR A 32 -24.630 1.278 -1.683 1.00 0.00 H new ATOM 0 HG23 THR A 32 -23.845 -0.177 -1.026 1.00 0.00 H new ATOM 493 N HIS A 33 -19.624 1.813 -1.370 1.00 0.00 N ATOM 494 CA HIS A 33 -18.442 2.588 -1.030 1.00 0.00 C ATOM 495 C HIS A 33 -17.290 2.286 -1.970 1.00 0.00 C ATOM 496 O HIS A 33 -16.827 1.155 -2.057 1.00 0.00 O ATOM 497 CB HIS A 33 -18.022 2.297 0.414 1.00 0.00 C ATOM 498 CG HIS A 33 -18.796 3.062 1.442 1.00 0.00 C ATOM 499 ND1 HIS A 33 -19.991 2.628 1.976 1.00 0.00 N ATOM 500 CD2 HIS A 33 -18.517 4.232 2.058 1.00 0.00 C ATOM 501 CE1 HIS A 33 -20.408 3.501 2.875 1.00 0.00 C ATOM 502 NE2 HIS A 33 -19.530 4.484 2.946 1.00 0.00 N ATOM 0 H HIS A 33 -19.557 0.823 -1.135 1.00 0.00 H new ATOM 0 HA HIS A 33 -18.694 3.643 -1.132 1.00 0.00 H new ATOM 0 HB2 HIS A 33 -18.138 1.230 0.607 1.00 0.00 H new ATOM 0 HB3 HIS A 33 -16.963 2.528 0.526 1.00 0.00 H new ATOM 0 HD2 HIS A 33 -17.653 4.855 1.882 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -21.316 3.424 3.455 1.00 0.00 H new ATOM 0 HE2 HIS A 33 -19.595 5.296 3.560 1.00 0.00 H new ATOM 511 N ASP A 34 -16.827 3.316 -2.652 1.00 0.00 N ATOM 512 CA ASP A 34 -15.685 3.206 -3.545 1.00 0.00 C ATOM 513 C ASP A 34 -14.467 3.784 -2.868 1.00 0.00 C ATOM 514 O ASP A 34 -14.519 4.884 -2.311 1.00 0.00 O ATOM 515 CB ASP A 34 -15.939 3.943 -4.861 1.00 0.00 C ATOM 516 CG ASP A 34 -16.902 3.209 -5.768 1.00 0.00 C ATOM 517 OD1 ASP A 34 -18.117 3.214 -5.489 1.00 0.00 O ATOM 518 OD2 ASP A 34 -16.445 2.633 -6.774 1.00 0.00 O ATOM 0 H ASP A 34 -17.230 4.252 -2.604 1.00 0.00 H new ATOM 0 HA ASP A 34 -15.523 2.152 -3.772 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -16.335 4.936 -4.646 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -14.992 4.084 -5.382 1.00 0.00 H new ATOM 523 N TRP A 35 -13.376 3.051 -2.905 1.00 0.00 N ATOM 524 CA TRP A 35 -12.157 3.505 -2.277 1.00 0.00 C ATOM 525 C TRP A 35 -10.957 3.304 -3.188 1.00 0.00 C ATOM 526 O TRP A 35 -11.026 2.587 -4.189 1.00 0.00 O ATOM 527 CB TRP A 35 -11.936 2.817 -0.924 1.00 0.00 C ATOM 528 CG TRP A 35 -11.996 1.315 -0.947 1.00 0.00 C ATOM 529 CD1 TRP A 35 -13.043 0.527 -0.553 1.00 0.00 C ATOM 530 CD2 TRP A 35 -10.951 0.423 -1.352 1.00 0.00 C ATOM 531 NE1 TRP A 35 -12.707 -0.803 -0.696 1.00 0.00 N ATOM 532 CE2 TRP A 35 -11.428 -0.890 -1.182 1.00 0.00 C ATOM 533 CE3 TRP A 35 -9.655 0.610 -1.845 1.00 0.00 C ATOM 534 CZ2 TRP A 35 -10.647 -2.009 -1.483 1.00 0.00 C ATOM 535 CZ3 TRP A 35 -8.884 -0.498 -2.139 1.00 0.00 C ATOM 536 CH2 TRP A 35 -9.380 -1.791 -1.956 1.00 0.00 C ATOM 0 H TRP A 35 -13.309 2.141 -3.362 1.00 0.00 H new ATOM 0 HA TRP A 35 -12.264 4.574 -2.095 1.00 0.00 H new ATOM 0 HB2 TRP A 35 -10.963 3.119 -0.537 1.00 0.00 H new ATOM 0 HB3 TRP A 35 -12.686 3.183 -0.223 1.00 0.00 H new ATOM 0 HD1 TRP A 35 -13.991 0.892 -0.185 1.00 0.00 H new ATOM 0 HE1 TRP A 35 -13.312 -1.594 -0.476 1.00 0.00 H new ATOM 0 HE3 TRP A 35 -9.263 1.605 -1.993 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 -11.029 -3.010 -1.348 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 -7.881 -0.362 -2.517 1.00 0.00 H new ATOM 0 HH2 TRP A 35 -8.751 -2.637 -2.192 1.00 0.00 H new ATOM 547 N MET A 36 -9.868 3.955 -2.829 1.00 0.00 N ATOM 548 CA MET A 36 -8.630 3.889 -3.586 1.00 0.00 C ATOM 549 C MET A 36 -7.443 3.878 -2.636 1.00 0.00 C ATOM 550 O MET A 36 -7.360 4.725 -1.758 1.00 0.00 O ATOM 551 CB MET A 36 -8.524 5.092 -4.521 1.00 0.00 C ATOM 552 CG MET A 36 -7.148 5.259 -5.138 1.00 0.00 C ATOM 553 SD MET A 36 -6.926 6.880 -5.864 1.00 0.00 S ATOM 554 CE MET A 36 -7.026 7.842 -4.368 1.00 0.00 C ATOM 0 H MET A 36 -9.815 4.548 -2.001 1.00 0.00 H new ATOM 0 HA MET A 36 -8.628 2.974 -4.178 1.00 0.00 H new ATOM 0 HB2 MET A 36 -9.261 4.989 -5.318 1.00 0.00 H new ATOM 0 HB3 MET A 36 -8.777 5.996 -3.967 1.00 0.00 H new ATOM 0 HG2 MET A 36 -6.387 5.097 -4.375 1.00 0.00 H new ATOM 0 HG3 MET A 36 -6.999 4.497 -5.903 1.00 0.00 H new ATOM 0 HE1 MET A 36 -6.554 8.812 -4.527 1.00 0.00 H new ATOM 0 HE2 MET A 36 -8.072 7.987 -4.098 1.00 0.00 H new ATOM 0 HE3 MET A 36 -6.513 7.316 -3.563 1.00 0.00 H new ATOM 564 N VAL A 37 -6.531 2.933 -2.816 1.00 0.00 N ATOM 565 CA VAL A 37 -5.371 2.803 -1.934 1.00 0.00 C ATOM 566 C VAL A 37 -4.093 3.315 -2.578 1.00 0.00 C ATOM 567 O VAL A 37 -3.998 3.389 -3.802 1.00 0.00 O ATOM 568 CB VAL A 37 -5.141 1.351 -1.493 1.00 0.00 C ATOM 569 CG1 VAL A 37 -5.869 1.066 -0.210 1.00 0.00 C ATOM 570 CG2 VAL A 37 -5.591 0.394 -2.573 1.00 0.00 C ATOM 0 H VAL A 37 -6.569 2.242 -3.565 1.00 0.00 H new ATOM 0 HA VAL A 37 -5.604 3.416 -1.063 1.00 0.00 H new ATOM 0 HB VAL A 37 -4.074 1.210 -1.324 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -5.693 0.032 0.086 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -5.505 1.734 0.571 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -6.937 1.226 -0.355 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -5.421 -0.631 -2.244 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -6.653 0.541 -2.770 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -5.024 0.582 -3.485 1.00 0.00 H new ATOM 580 N PHE A 38 -3.124 3.629 -1.721 1.00 0.00 N ATOM 581 CA PHE A 38 -1.841 4.216 -2.112 1.00 0.00 C ATOM 582 C PHE A 38 -0.662 3.481 -1.478 1.00 0.00 C ATOM 583 O PHE A 38 -0.688 3.184 -0.282 1.00 0.00 O ATOM 584 CB PHE A 38 -1.767 5.659 -1.610 1.00 0.00 C ATOM 585 CG PHE A 38 -2.226 6.718 -2.560 1.00 0.00 C ATOM 586 CD1 PHE A 38 -1.329 7.278 -3.445 1.00 0.00 C ATOM 587 CD2 PHE A 38 -3.528 7.194 -2.532 1.00 0.00 C ATOM 588 CE1 PHE A 38 -1.711 8.292 -4.295 1.00 0.00 C ATOM 589 CE2 PHE A 38 -3.922 8.204 -3.386 1.00 0.00 C ATOM 590 CZ PHE A 38 -3.016 8.758 -4.269 1.00 0.00 C ATOM 0 H PHE A 38 -3.209 3.480 -0.715 1.00 0.00 H new ATOM 0 HA PHE A 38 -1.781 4.150 -3.198 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -2.362 5.735 -0.700 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -0.734 5.872 -1.334 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -0.312 6.916 -3.472 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -4.239 6.771 -1.837 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -0.996 8.723 -4.980 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -4.941 8.562 -3.364 1.00 0.00 H new ATOM 0 HZ PHE A 38 -3.323 9.550 -4.936 1.00 0.00 H new ATOM 600 N VAL A 39 0.355 3.175 -2.283 1.00 0.00 N ATOM 601 CA VAL A 39 1.682 2.863 -1.769 1.00 0.00 C ATOM 602 C VAL A 39 2.757 3.601 -2.594 1.00 0.00 C ATOM 603 O VAL A 39 2.885 3.387 -3.798 1.00 0.00 O ATOM 604 CB VAL A 39 1.935 1.337 -1.740 1.00 0.00 C ATOM 605 CG1 VAL A 39 1.182 0.709 -0.589 1.00 0.00 C ATOM 606 CG2 VAL A 39 1.509 0.683 -3.037 1.00 0.00 C ATOM 0 H VAL A 39 0.281 3.137 -3.300 1.00 0.00 H new ATOM 0 HA VAL A 39 1.742 3.212 -0.738 1.00 0.00 H new ATOM 0 HB VAL A 39 3.006 1.179 -1.610 1.00 0.00 H new ATOM 0 HG11 VAL A 39 1.366 -0.365 -0.577 1.00 0.00 H new ATOM 0 HG12 VAL A 39 1.522 1.146 0.350 1.00 0.00 H new ATOM 0 HG13 VAL A 39 0.114 0.893 -0.709 1.00 0.00 H new ATOM 0 HG21 VAL A 39 1.700 -0.389 -2.984 1.00 0.00 H new ATOM 0 HG22 VAL A 39 0.445 0.854 -3.198 1.00 0.00 H new ATOM 0 HG23 VAL A 39 2.075 1.112 -3.864 1.00 0.00 H new ATOM 616 N ARG A 40 3.498 4.502 -1.939 1.00 0.00 N ATOM 617 CA ARG A 40 4.466 5.385 -2.624 1.00 0.00 C ATOM 618 C ARG A 40 5.611 5.771 -1.687 1.00 0.00 C ATOM 619 O ARG A 40 5.691 5.289 -0.562 1.00 0.00 O ATOM 620 CB ARG A 40 3.781 6.686 -3.087 1.00 0.00 C ATOM 621 CG ARG A 40 3.280 7.523 -1.929 1.00 0.00 C ATOM 622 CD ARG A 40 2.958 8.953 -2.335 1.00 0.00 C ATOM 623 NE ARG A 40 3.873 9.505 -3.332 1.00 0.00 N ATOM 624 CZ ARG A 40 4.329 10.754 -3.280 1.00 0.00 C ATOM 625 NH1 ARG A 40 3.998 11.527 -2.251 1.00 0.00 N ATOM 626 NH2 ARG A 40 5.109 11.229 -4.245 1.00 0.00 N ATOM 0 H ARG A 40 3.450 4.644 -0.930 1.00 0.00 H new ATOM 0 HA ARG A 40 4.853 4.834 -3.481 1.00 0.00 H new ATOM 0 HB2 ARG A 40 4.485 7.273 -3.677 1.00 0.00 H new ATOM 0 HB3 ARG A 40 2.945 6.439 -3.741 1.00 0.00 H new ATOM 0 HG2 ARG A 40 2.387 7.059 -1.510 1.00 0.00 H new ATOM 0 HG3 ARG A 40 4.033 7.534 -1.141 1.00 0.00 H new ATOM 0 HD2 ARG A 40 1.942 8.989 -2.729 1.00 0.00 H new ATOM 0 HD3 ARG A 40 2.978 9.586 -1.448 1.00 0.00 H new ATOM 0 HE ARG A 40 4.175 8.907 -4.101 1.00 0.00 H new ATOM 0 HH11 ARG A 40 3.400 11.161 -1.510 1.00 0.00 H new ATOM 0 HH12 ARG A 40 4.342 12.486 -2.202 1.00 0.00 H new ATOM 0 HH21 ARG A 40 5.363 10.635 -5.034 1.00 0.00 H new ATOM 0 HH22 ARG A 40 5.454 12.188 -4.197 1.00 0.00 H new ATOM 640 N GLY A 41 6.492 6.645 -2.175 1.00 0.00 N ATOM 641 CA GLY A 41 7.555 7.203 -1.350 1.00 0.00 C ATOM 642 C GLY A 41 7.390 8.706 -1.162 1.00 0.00 C ATOM 643 O GLY A 41 6.488 9.297 -1.748 1.00 0.00 O ATOM 0 H GLY A 41 6.487 6.980 -3.139 1.00 0.00 H new ATOM 0 HA2 GLY A 41 7.556 6.712 -0.377 1.00 0.00 H new ATOM 0 HA3 GLY A 41 8.521 6.998 -1.812 1.00 0.00 H new ATOM 647 N PRO A 42 8.227 9.348 -0.325 1.00 0.00 N ATOM 648 CA PRO A 42 8.195 10.807 -0.112 1.00 0.00 C ATOM 649 C PRO A 42 8.471 11.616 -1.370 1.00 0.00 C ATOM 650 O PRO A 42 8.838 11.078 -2.420 1.00 0.00 O ATOM 651 CB PRO A 42 9.306 11.051 0.922 1.00 0.00 C ATOM 652 CG PRO A 42 9.516 9.731 1.574 1.00 0.00 C ATOM 653 CD PRO A 42 9.241 8.704 0.516 1.00 0.00 C ATOM 0 HA PRO A 42 7.203 11.127 0.208 1.00 0.00 H new ATOM 0 HB2 PRO A 42 10.219 11.406 0.445 1.00 0.00 H new ATOM 0 HB3 PRO A 42 9.011 11.808 1.648 1.00 0.00 H new ATOM 0 HG2 PRO A 42 10.534 9.639 1.953 1.00 0.00 H new ATOM 0 HG3 PRO A 42 8.847 9.604 2.425 1.00 0.00 H new ATOM 0 HD2 PRO A 42 10.139 8.461 -0.052 1.00 0.00 H new ATOM 0 HD3 PRO A 42 8.874 7.772 0.946 1.00 0.00 H new ATOM 661 N GLU A 43 8.292 12.922 -1.239 1.00 0.00 N ATOM 662 CA GLU A 43 8.487 13.848 -2.335 1.00 0.00 C ATOM 663 C GLU A 43 9.919 13.816 -2.832 1.00 0.00 C ATOM 664 O GLU A 43 10.861 13.948 -2.053 1.00 0.00 O ATOM 665 CB GLU A 43 8.126 15.270 -1.911 1.00 0.00 C ATOM 666 CG GLU A 43 6.637 15.574 -1.952 1.00 0.00 C ATOM 667 CD GLU A 43 5.819 14.663 -1.062 1.00 0.00 C ATOM 668 OE1 GLU A 43 5.962 14.756 0.176 1.00 0.00 O ATOM 669 OE2 GLU A 43 5.039 13.849 -1.596 1.00 0.00 O ATOM 0 H GLU A 43 8.007 13.366 -0.366 1.00 0.00 H new ATOM 0 HA GLU A 43 7.829 13.537 -3.146 1.00 0.00 H new ATOM 0 HB2 GLU A 43 8.492 15.439 -0.898 1.00 0.00 H new ATOM 0 HB3 GLU A 43 8.647 15.974 -2.560 1.00 0.00 H new ATOM 0 HG2 GLU A 43 6.475 16.609 -1.649 1.00 0.00 H new ATOM 0 HG3 GLU A 43 6.282 15.483 -2.979 1.00 0.00 H new ATOM 676 N HIS A 44 10.049 13.570 -4.126 1.00 0.00 N ATOM 677 CA HIS A 44 11.323 13.640 -4.852 1.00 0.00 C ATOM 678 C HIS A 44 12.139 12.360 -4.657 1.00 0.00 C ATOM 679 O HIS A 44 13.019 12.051 -5.461 1.00 0.00 O ATOM 680 CB HIS A 44 12.128 14.923 -4.480 1.00 0.00 C ATOM 681 CG HIS A 44 13.419 14.690 -3.741 1.00 0.00 C ATOM 682 ND1 HIS A 44 14.630 14.512 -4.373 1.00 0.00 N ATOM 683 CD2 HIS A 44 13.680 14.629 -2.415 1.00 0.00 C ATOM 684 CE1 HIS A 44 15.577 14.350 -3.470 1.00 0.00 C ATOM 685 NE2 HIS A 44 15.028 14.416 -2.272 1.00 0.00 N ATOM 0 H HIS A 44 9.261 13.310 -4.719 1.00 0.00 H new ATOM 0 HA HIS A 44 11.099 13.716 -5.916 1.00 0.00 H new ATOM 0 HB2 HIS A 44 12.349 15.470 -5.397 1.00 0.00 H new ATOM 0 HB3 HIS A 44 11.492 15.565 -3.871 1.00 0.00 H new ATOM 0 HD2 HIS A 44 12.960 14.729 -1.616 1.00 0.00 H new ATOM 0 HE1 HIS A 44 16.625 14.190 -3.676 1.00 0.00 H new ATOM 0 HE2 HIS A 44 15.524 14.324 -1.385 1.00 0.00 H new ATOM 694 N SER A 45 11.845 11.621 -3.599 1.00 0.00 N ATOM 695 CA SER A 45 12.430 10.307 -3.413 1.00 0.00 C ATOM 696 C SER A 45 11.593 9.279 -4.162 1.00 0.00 C ATOM 697 O SER A 45 10.444 9.019 -3.800 1.00 0.00 O ATOM 698 CB SER A 45 12.492 9.958 -1.923 1.00 0.00 C ATOM 699 OG SER A 45 11.240 10.166 -1.307 1.00 0.00 O ATOM 0 H SER A 45 11.206 11.910 -2.858 1.00 0.00 H new ATOM 0 HA SER A 45 13.447 10.304 -3.806 1.00 0.00 H new ATOM 0 HB2 SER A 45 12.794 8.918 -1.801 1.00 0.00 H new ATOM 0 HB3 SER A 45 13.250 10.570 -1.433 1.00 0.00 H new ATOM 0 HG SER A 45 10.525 10.001 -1.956 1.00 0.00 H new ATOM 705 N ASN A 46 12.156 8.707 -5.209 1.00 0.00 N ATOM 706 CA ASN A 46 11.424 7.751 -6.023 1.00 0.00 C ATOM 707 C ASN A 46 11.674 6.344 -5.529 1.00 0.00 C ATOM 708 O ASN A 46 12.822 5.914 -5.402 1.00 0.00 O ATOM 709 CB ASN A 46 11.825 7.873 -7.495 1.00 0.00 C ATOM 710 CG ASN A 46 11.226 9.096 -8.167 1.00 0.00 C ATOM 711 OD1 ASN A 46 11.832 9.685 -9.062 1.00 0.00 O ATOM 712 ND2 ASN A 46 10.029 9.484 -7.748 1.00 0.00 N ATOM 0 H ASN A 46 13.112 8.885 -5.516 1.00 0.00 H new ATOM 0 HA ASN A 46 10.360 7.972 -5.937 1.00 0.00 H new ATOM 0 HB2 ASN A 46 12.912 7.919 -7.569 1.00 0.00 H new ATOM 0 HB3 ASN A 46 11.507 6.978 -8.029 1.00 0.00 H new ATOM 0 HD21 ASN A 46 9.579 10.296 -8.170 1.00 0.00 H new ATOM 0 HD22 ASN A 46 9.558 8.970 -7.003 1.00 0.00 H new ATOM 719 N ILE A 47 10.600 5.613 -5.273 1.00 0.00 N ATOM 720 CA ILE A 47 10.729 4.281 -4.721 1.00 0.00 C ATOM 721 C ILE A 47 11.044 3.281 -5.803 1.00 0.00 C ATOM 722 O ILE A 47 11.625 2.255 -5.529 1.00 0.00 O ATOM 723 CB ILE A 47 9.488 3.806 -3.967 1.00 0.00 C ATOM 724 CG1 ILE A 47 8.315 3.590 -4.905 1.00 0.00 C ATOM 725 CG2 ILE A 47 9.141 4.788 -2.878 1.00 0.00 C ATOM 726 CD1 ILE A 47 7.146 2.930 -4.218 1.00 0.00 C ATOM 0 H ILE A 47 9.641 5.919 -5.438 1.00 0.00 H new ATOM 0 HA ILE A 47 11.548 4.345 -4.004 1.00 0.00 H new ATOM 0 HB ILE A 47 9.712 2.842 -3.510 1.00 0.00 H new ATOM 0 HG12 ILE A 47 7.999 4.549 -5.314 1.00 0.00 H new ATOM 0 HG13 ILE A 47 8.634 2.974 -5.746 1.00 0.00 H new ATOM 0 HG21 ILE A 47 8.255 4.442 -2.345 1.00 0.00 H new ATOM 0 HG22 ILE A 47 9.975 4.868 -2.181 1.00 0.00 H new ATOM 0 HG23 ILE A 47 8.941 5.765 -3.319 1.00 0.00 H new ATOM 0 HD11 ILE A 47 6.332 2.797 -4.931 1.00 0.00 H new ATOM 0 HD12 ILE A 47 7.452 1.958 -3.832 1.00 0.00 H new ATOM 0 HD13 ILE A 47 6.807 3.557 -3.393 1.00 0.00 H new ATOM 738 N GLN A 48 10.689 3.612 -7.042 1.00 0.00 N ATOM 739 CA GLN A 48 10.898 2.724 -8.189 1.00 0.00 C ATOM 740 C GLN A 48 12.384 2.379 -8.351 1.00 0.00 C ATOM 741 O GLN A 48 12.761 1.505 -9.132 1.00 0.00 O ATOM 742 CB GLN A 48 10.340 3.408 -9.447 1.00 0.00 C ATOM 743 CG GLN A 48 10.431 2.599 -10.737 1.00 0.00 C ATOM 744 CD GLN A 48 9.699 1.258 -10.669 1.00 0.00 C ATOM 745 OE1 GLN A 48 10.321 0.228 -10.408 1.00 0.00 O ATOM 746 NE2 GLN A 48 8.378 1.243 -10.857 1.00 0.00 N ATOM 0 H GLN A 48 10.249 4.501 -7.282 1.00 0.00 H new ATOM 0 HA GLN A 48 10.371 1.784 -8.028 1.00 0.00 H new ATOM 0 HB2 GLN A 48 9.294 3.656 -9.269 1.00 0.00 H new ATOM 0 HB3 GLN A 48 10.871 4.349 -9.592 1.00 0.00 H new ATOM 0 HG2 GLN A 48 10.018 3.188 -11.556 1.00 0.00 H new ATOM 0 HG3 GLN A 48 11.480 2.420 -10.971 1.00 0.00 H new ATOM 0 HE21 GLN A 48 7.884 2.109 -11.072 1.00 0.00 H new ATOM 0 HE22 GLN A 48 7.863 0.366 -10.785 1.00 0.00 H new ATOM 755 N HIS A 49 13.217 3.063 -7.585 1.00 0.00 N ATOM 756 CA HIS A 49 14.639 2.779 -7.552 1.00 0.00 C ATOM 757 C HIS A 49 14.938 1.585 -6.653 1.00 0.00 C ATOM 758 O HIS A 49 15.770 0.748 -6.992 1.00 0.00 O ATOM 759 CB HIS A 49 15.427 4.002 -7.084 1.00 0.00 C ATOM 760 CG HIS A 49 15.761 4.953 -8.191 1.00 0.00 C ATOM 761 ND1 HIS A 49 16.226 4.543 -9.423 1.00 0.00 N ATOM 762 CD2 HIS A 49 15.675 6.300 -8.256 1.00 0.00 C ATOM 763 CE1 HIS A 49 16.409 5.597 -10.197 1.00 0.00 C ATOM 764 NE2 HIS A 49 16.082 6.677 -9.512 1.00 0.00 N ATOM 0 H HIS A 49 12.928 3.826 -6.973 1.00 0.00 H new ATOM 0 HA HIS A 49 14.951 2.532 -8.567 1.00 0.00 H new ATOM 0 HB2 HIS A 49 14.849 4.529 -6.325 1.00 0.00 H new ATOM 0 HB3 HIS A 49 16.350 3.670 -6.609 1.00 0.00 H new ATOM 0 HD2 HIS A 49 15.347 6.959 -7.466 1.00 0.00 H new ATOM 0 HE1 HIS A 49 16.765 5.579 -11.216 1.00 0.00 H new ATOM 0 HE2 HIS A 49 16.125 7.635 -9.859 1.00 0.00 H new ATOM 773 N PHE A 50 14.248 1.491 -5.518 1.00 0.00 N ATOM 774 CA PHE A 50 14.484 0.398 -4.583 1.00 0.00 C ATOM 775 C PHE A 50 13.265 -0.519 -4.485 1.00 0.00 C ATOM 776 O PHE A 50 13.284 -1.533 -3.787 1.00 0.00 O ATOM 777 CB PHE A 50 14.902 0.934 -3.204 1.00 0.00 C ATOM 778 CG PHE A 50 13.933 1.885 -2.555 1.00 0.00 C ATOM 779 CD1 PHE A 50 12.859 1.428 -1.806 1.00 0.00 C ATOM 780 CD2 PHE A 50 14.123 3.248 -2.669 1.00 0.00 C ATOM 781 CE1 PHE A 50 11.999 2.309 -1.195 1.00 0.00 C ATOM 782 CE2 PHE A 50 13.256 4.136 -2.060 1.00 0.00 C ATOM 783 CZ PHE A 50 12.193 3.666 -1.324 1.00 0.00 C ATOM 0 H PHE A 50 13.528 2.153 -5.227 1.00 0.00 H new ATOM 0 HA PHE A 50 15.310 -0.201 -4.967 1.00 0.00 H new ATOM 0 HB2 PHE A 50 15.054 0.087 -2.536 1.00 0.00 H new ATOM 0 HB3 PHE A 50 15.864 1.437 -3.306 1.00 0.00 H new ATOM 0 HD1 PHE A 50 12.696 0.365 -1.701 1.00 0.00 H new ATOM 0 HD2 PHE A 50 14.958 3.625 -3.240 1.00 0.00 H new ATOM 0 HE1 PHE A 50 11.169 1.936 -0.613 1.00 0.00 H new ATOM 0 HE2 PHE A 50 13.413 5.200 -2.162 1.00 0.00 H new ATOM 0 HZ PHE A 50 11.514 4.358 -0.849 1.00 0.00 H new ATOM 793 N VAL A 51 12.227 -0.161 -5.223 1.00 0.00 N ATOM 794 CA VAL A 51 10.971 -0.890 -5.248 1.00 0.00 C ATOM 795 C VAL A 51 10.661 -1.308 -6.681 1.00 0.00 C ATOM 796 O VAL A 51 10.745 -0.499 -7.602 1.00 0.00 O ATOM 797 CB VAL A 51 9.827 -0.023 -4.658 1.00 0.00 C ATOM 798 CG1 VAL A 51 8.464 -0.644 -4.897 1.00 0.00 C ATOM 799 CG2 VAL A 51 10.049 0.175 -3.168 1.00 0.00 C ATOM 0 H VAL A 51 12.234 0.658 -5.831 1.00 0.00 H new ATOM 0 HA VAL A 51 11.057 -1.784 -4.631 1.00 0.00 H new ATOM 0 HB VAL A 51 9.845 0.940 -5.167 1.00 0.00 H new ATOM 0 HG11 VAL A 51 7.693 -0.005 -4.468 1.00 0.00 H new ATOM 0 HG12 VAL A 51 8.294 -0.748 -5.969 1.00 0.00 H new ATOM 0 HG13 VAL A 51 8.424 -1.626 -4.426 1.00 0.00 H new ATOM 0 HG21 VAL A 51 9.244 0.784 -2.758 1.00 0.00 H new ATOM 0 HG22 VAL A 51 10.060 -0.794 -2.670 1.00 0.00 H new ATOM 0 HG23 VAL A 51 11.003 0.677 -3.006 1.00 0.00 H new ATOM 809 N GLU A 52 10.340 -2.580 -6.864 1.00 0.00 N ATOM 810 CA GLU A 52 10.172 -3.146 -8.199 1.00 0.00 C ATOM 811 C GLU A 52 8.700 -3.219 -8.582 1.00 0.00 C ATOM 812 O GLU A 52 8.271 -2.637 -9.578 1.00 0.00 O ATOM 813 CB GLU A 52 10.787 -4.549 -8.252 1.00 0.00 C ATOM 814 CG GLU A 52 10.653 -5.232 -9.605 1.00 0.00 C ATOM 815 CD GLU A 52 11.111 -6.674 -9.576 1.00 0.00 C ATOM 816 OE1 GLU A 52 12.336 -6.922 -9.563 1.00 0.00 O ATOM 817 OE2 GLU A 52 10.244 -7.572 -9.568 1.00 0.00 O ATOM 0 H GLU A 52 10.190 -3.244 -6.104 1.00 0.00 H new ATOM 0 HA GLU A 52 10.681 -2.495 -8.910 1.00 0.00 H new ATOM 0 HB2 GLU A 52 11.844 -4.481 -7.994 1.00 0.00 H new ATOM 0 HB3 GLU A 52 10.313 -5.172 -7.493 1.00 0.00 H new ATOM 0 HG2 GLU A 52 9.612 -5.191 -9.927 1.00 0.00 H new ATOM 0 HG3 GLU A 52 11.237 -4.684 -10.344 1.00 0.00 H new ATOM 824 N LYS A 53 7.938 -3.952 -7.791 1.00 0.00 N ATOM 825 CA LYS A 53 6.519 -4.121 -8.034 1.00 0.00 C ATOM 826 C LYS A 53 5.755 -3.981 -6.732 1.00 0.00 C ATOM 827 O LYS A 53 6.343 -3.902 -5.662 1.00 0.00 O ATOM 828 CB LYS A 53 6.225 -5.487 -8.666 1.00 0.00 C ATOM 829 CG LYS A 53 6.674 -6.668 -7.816 1.00 0.00 C ATOM 830 CD LYS A 53 6.015 -7.965 -8.223 1.00 0.00 C ATOM 831 CE LYS A 53 4.565 -7.968 -7.820 1.00 0.00 C ATOM 832 NZ LYS A 53 4.319 -7.327 -6.503 1.00 0.00 N ATOM 0 H LYS A 53 8.284 -4.444 -6.967 1.00 0.00 H new ATOM 0 HA LYS A 53 6.198 -3.347 -8.731 1.00 0.00 H new ATOM 0 HB2 LYS A 53 5.153 -5.569 -8.848 1.00 0.00 H new ATOM 0 HB3 LYS A 53 6.718 -5.542 -9.636 1.00 0.00 H new ATOM 0 HG2 LYS A 53 7.756 -6.775 -7.894 1.00 0.00 H new ATOM 0 HG3 LYS A 53 6.448 -6.464 -6.769 1.00 0.00 H new ATOM 0 HD2 LYS A 53 6.099 -8.100 -9.301 1.00 0.00 H new ATOM 0 HD3 LYS A 53 6.530 -8.804 -7.756 1.00 0.00 H new ATOM 0 HE2 LYS A 53 3.982 -7.451 -8.582 1.00 0.00 H new ATOM 0 HE3 LYS A 53 4.206 -8.997 -7.788 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 3.362 -7.566 -6.174 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 5.018 -7.671 -5.814 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 4.405 -6.295 -6.598 1.00 0.00 H new ATOM 846 N VAL A 54 4.448 -3.979 -6.829 1.00 0.00 N ATOM 847 CA VAL A 54 3.588 -3.794 -5.676 1.00 0.00 C ATOM 848 C VAL A 54 2.360 -4.674 -5.812 1.00 0.00 C ATOM 849 O VAL A 54 1.978 -5.028 -6.927 1.00 0.00 O ATOM 850 CB VAL A 54 3.203 -2.308 -5.541 1.00 0.00 C ATOM 851 CG1 VAL A 54 1.904 -2.107 -4.779 1.00 0.00 C ATOM 852 CG2 VAL A 54 4.329 -1.560 -4.852 1.00 0.00 C ATOM 0 H VAL A 54 3.946 -4.105 -7.708 1.00 0.00 H new ATOM 0 HA VAL A 54 4.118 -4.086 -4.770 1.00 0.00 H new ATOM 0 HB VAL A 54 3.044 -1.916 -6.546 1.00 0.00 H new ATOM 0 HG11 VAL A 54 1.681 -1.042 -4.714 1.00 0.00 H new ATOM 0 HG12 VAL A 54 1.094 -2.616 -5.301 1.00 0.00 H new ATOM 0 HG13 VAL A 54 2.004 -2.519 -3.775 1.00 0.00 H new ATOM 0 HG21 VAL A 54 4.061 -0.508 -4.754 1.00 0.00 H new ATOM 0 HG22 VAL A 54 4.496 -1.985 -3.862 1.00 0.00 H new ATOM 0 HG23 VAL A 54 5.240 -1.649 -5.444 1.00 0.00 H new ATOM 862 N VAL A 55 1.777 -5.071 -4.693 1.00 0.00 N ATOM 863 CA VAL A 55 0.619 -5.940 -4.720 1.00 0.00 C ATOM 864 C VAL A 55 -0.346 -5.588 -3.594 1.00 0.00 C ATOM 865 O VAL A 55 0.067 -5.165 -2.512 1.00 0.00 O ATOM 866 CB VAL A 55 1.041 -7.427 -4.646 1.00 0.00 C ATOM 867 CG1 VAL A 55 0.488 -8.118 -3.412 1.00 0.00 C ATOM 868 CG2 VAL A 55 0.605 -8.158 -5.902 1.00 0.00 C ATOM 0 H VAL A 55 2.088 -4.805 -3.759 1.00 0.00 H new ATOM 0 HA VAL A 55 0.102 -5.787 -5.667 1.00 0.00 H new ATOM 0 HB VAL A 55 2.128 -7.455 -4.572 1.00 0.00 H new ATOM 0 HG11 VAL A 55 0.810 -9.159 -3.403 1.00 0.00 H new ATOM 0 HG12 VAL A 55 0.857 -7.616 -2.518 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -0.601 -8.075 -3.428 1.00 0.00 H new ATOM 0 HG21 VAL A 55 0.908 -9.203 -5.838 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -0.479 -8.099 -5.999 1.00 0.00 H new ATOM 0 HG23 VAL A 55 1.073 -7.697 -6.772 1.00 0.00 H new ATOM 878 N PHE A 56 -1.624 -5.755 -3.865 1.00 0.00 N ATOM 879 CA PHE A 56 -2.658 -5.501 -2.886 1.00 0.00 C ATOM 880 C PHE A 56 -3.508 -6.744 -2.723 1.00 0.00 C ATOM 881 O PHE A 56 -4.106 -7.206 -3.685 1.00 0.00 O ATOM 882 CB PHE A 56 -3.541 -4.322 -3.317 1.00 0.00 C ATOM 883 CG PHE A 56 -2.927 -2.974 -3.073 1.00 0.00 C ATOM 884 CD1 PHE A 56 -1.897 -2.504 -3.875 1.00 0.00 C ATOM 885 CD2 PHE A 56 -3.389 -2.173 -2.045 1.00 0.00 C ATOM 886 CE1 PHE A 56 -1.338 -1.265 -3.652 1.00 0.00 C ATOM 887 CE2 PHE A 56 -2.832 -0.927 -1.819 1.00 0.00 C ATOM 888 CZ PHE A 56 -1.804 -0.474 -2.624 1.00 0.00 C ATOM 0 H PHE A 56 -1.974 -6.070 -4.770 1.00 0.00 H new ATOM 0 HA PHE A 56 -2.187 -5.246 -1.937 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -3.766 -4.420 -4.379 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -4.490 -4.379 -2.784 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -1.529 -3.117 -4.684 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -4.192 -2.523 -1.413 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -0.535 -0.913 -4.283 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -3.200 -0.309 -1.014 1.00 0.00 H new ATOM 0 HZ PHE A 56 -1.367 0.498 -2.448 1.00 0.00 H new ATOM 898 N HIS A 57 -3.534 -7.310 -1.528 1.00 0.00 N ATOM 899 CA HIS A 57 -4.384 -8.464 -1.266 1.00 0.00 C ATOM 900 C HIS A 57 -5.694 -7.992 -0.663 1.00 0.00 C ATOM 901 O HIS A 57 -5.842 -7.954 0.559 1.00 0.00 O ATOM 902 CB HIS A 57 -3.718 -9.457 -0.303 1.00 0.00 C ATOM 903 CG HIS A 57 -2.428 -10.042 -0.793 1.00 0.00 C ATOM 904 ND1 HIS A 57 -2.316 -11.336 -1.251 1.00 0.00 N ATOM 905 CD2 HIS A 57 -1.182 -9.515 -0.859 1.00 0.00 C ATOM 906 CE1 HIS A 57 -1.059 -11.580 -1.572 1.00 0.00 C ATOM 907 NE2 HIS A 57 -0.349 -10.492 -1.343 1.00 0.00 N ATOM 0 H HIS A 57 -2.983 -6.995 -0.730 1.00 0.00 H new ATOM 0 HA HIS A 57 -4.556 -8.975 -2.213 1.00 0.00 H new ATOM 0 HB2 HIS A 57 -3.534 -8.953 0.646 1.00 0.00 H new ATOM 0 HB3 HIS A 57 -4.416 -10.270 -0.102 1.00 0.00 H new ATOM 0 HD2 HIS A 57 -0.897 -8.511 -0.582 1.00 0.00 H new ATOM 0 HE1 HIS A 57 -0.676 -12.513 -1.957 1.00 0.00 H new ATOM 0 HE2 HIS A 57 0.654 -10.393 -1.500 1.00 0.00 H new ATOM 916 N LEU A 58 -6.626 -7.599 -1.516 1.00 0.00 N ATOM 917 CA LEU A 58 -7.941 -7.177 -1.049 1.00 0.00 C ATOM 918 C LEU A 58 -8.700 -8.392 -0.497 1.00 0.00 C ATOM 919 O LEU A 58 -8.161 -9.500 -0.456 1.00 0.00 O ATOM 920 CB LEU A 58 -8.748 -6.509 -2.178 1.00 0.00 C ATOM 921 CG LEU A 58 -7.946 -5.645 -3.166 1.00 0.00 C ATOM 922 CD1 LEU A 58 -8.868 -4.915 -4.115 1.00 0.00 C ATOM 923 CD2 LEU A 58 -7.029 -4.664 -2.454 1.00 0.00 C ATOM 0 H LEU A 58 -6.501 -7.563 -2.528 1.00 0.00 H new ATOM 0 HA LEU A 58 -7.808 -6.439 -0.258 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -9.259 -7.289 -2.742 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -9.519 -5.886 -1.725 1.00 0.00 H new ATOM 0 HG LEU A 58 -7.315 -6.322 -3.742 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -8.277 -4.311 -4.804 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -9.456 -5.639 -4.680 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -9.537 -4.268 -3.547 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -6.483 -4.076 -3.191 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -7.624 -3.999 -1.827 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -6.322 -5.213 -1.832 1.00 0.00 H new ATOM 935 N HIS A 59 -9.942 -8.203 -0.074 1.00 0.00 N ATOM 936 CA HIS A 59 -10.712 -9.316 0.480 1.00 0.00 C ATOM 937 C HIS A 59 -11.232 -10.214 -0.627 1.00 0.00 C ATOM 938 O HIS A 59 -11.443 -9.779 -1.754 1.00 0.00 O ATOM 939 CB HIS A 59 -11.858 -8.814 1.363 1.00 0.00 C ATOM 940 CG HIS A 59 -11.556 -8.921 2.829 1.00 0.00 C ATOM 941 ND1 HIS A 59 -12.519 -9.130 3.791 1.00 0.00 N ATOM 942 CD2 HIS A 59 -10.378 -8.855 3.494 1.00 0.00 C ATOM 943 CE1 HIS A 59 -11.948 -9.184 4.978 1.00 0.00 C ATOM 944 NE2 HIS A 59 -10.649 -9.022 4.829 1.00 0.00 N ATOM 0 H HIS A 59 -10.433 -7.310 -0.101 1.00 0.00 H new ATOM 0 HA HIS A 59 -10.044 -9.904 1.109 1.00 0.00 H new ATOM 0 HB2 HIS A 59 -12.071 -7.774 1.116 1.00 0.00 H new ATOM 0 HB3 HIS A 59 -12.759 -9.386 1.140 1.00 0.00 H new ATOM 0 HD2 HIS A 59 -9.404 -8.699 3.054 1.00 0.00 H new ATOM 0 HE1 HIS A 59 -12.460 -9.336 5.917 1.00 0.00 H new ATOM 0 HE2 HIS A 59 -9.960 -9.021 5.581 1.00 0.00 H new ATOM 953 N GLU A 60 -11.416 -11.479 -0.274 1.00 0.00 N ATOM 954 CA GLU A 60 -11.780 -12.534 -1.222 1.00 0.00 C ATOM 955 C GLU A 60 -13.100 -12.246 -1.927 1.00 0.00 C ATOM 956 O GLU A 60 -13.353 -12.767 -3.014 1.00 0.00 O ATOM 957 CB GLU A 60 -11.880 -13.870 -0.494 1.00 0.00 C ATOM 958 CG GLU A 60 -10.594 -14.290 0.195 1.00 0.00 C ATOM 959 CD GLU A 60 -10.768 -15.548 1.015 1.00 0.00 C ATOM 960 OE1 GLU A 60 -11.149 -15.440 2.198 1.00 0.00 O ATOM 961 OE2 GLU A 60 -10.535 -16.654 0.475 1.00 0.00 O ATOM 0 H GLU A 60 -11.317 -11.809 0.686 1.00 0.00 H new ATOM 0 HA GLU A 60 -10.998 -12.572 -1.980 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -12.676 -13.810 0.248 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -12.167 -14.642 -1.208 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -9.819 -14.451 -0.554 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -10.250 -13.482 0.841 1.00 0.00 H new ATOM 968 N SER A 61 -13.940 -11.437 -1.295 1.00 0.00 N ATOM 969 CA SER A 61 -15.211 -11.030 -1.882 1.00 0.00 C ATOM 970 C SER A 61 -14.978 -10.147 -3.109 1.00 0.00 C ATOM 971 O SER A 61 -15.867 -9.973 -3.943 1.00 0.00 O ATOM 972 CB SER A 61 -16.044 -10.283 -0.838 1.00 0.00 C ATOM 973 OG SER A 61 -17.366 -10.046 -1.293 1.00 0.00 O ATOM 0 H SER A 61 -13.763 -11.047 -0.369 1.00 0.00 H new ATOM 0 HA SER A 61 -15.754 -11.920 -2.202 1.00 0.00 H new ATOM 0 HB2 SER A 61 -16.075 -10.862 0.085 1.00 0.00 H new ATOM 0 HB3 SER A 61 -15.565 -9.333 -0.602 1.00 0.00 H new ATOM 0 HG SER A 61 -17.870 -9.569 -0.601 1.00 0.00 H new ATOM 979 N PHE A 62 -13.777 -9.595 -3.208 1.00 0.00 N ATOM 980 CA PHE A 62 -13.392 -8.771 -4.337 1.00 0.00 C ATOM 981 C PHE A 62 -12.831 -9.662 -5.442 1.00 0.00 C ATOM 982 O PHE A 62 -11.946 -10.480 -5.190 1.00 0.00 O ATOM 983 CB PHE A 62 -12.338 -7.740 -3.906 1.00 0.00 C ATOM 984 CG PHE A 62 -12.811 -6.756 -2.862 1.00 0.00 C ATOM 985 CD1 PHE A 62 -13.082 -7.166 -1.565 1.00 0.00 C ATOM 986 CD2 PHE A 62 -12.967 -5.418 -3.177 1.00 0.00 C ATOM 987 CE1 PHE A 62 -13.505 -6.262 -0.610 1.00 0.00 C ATOM 988 CE2 PHE A 62 -13.390 -4.508 -2.227 1.00 0.00 C ATOM 989 CZ PHE A 62 -13.659 -4.931 -0.941 1.00 0.00 C ATOM 0 H PHE A 62 -13.045 -9.708 -2.507 1.00 0.00 H new ATOM 0 HA PHE A 62 -14.267 -8.237 -4.709 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -11.468 -8.270 -3.519 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -12.009 -7.186 -4.786 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -12.961 -8.205 -1.298 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -12.755 -5.080 -4.180 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -13.715 -6.597 0.395 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -13.510 -3.467 -2.490 1.00 0.00 H new ATOM 0 HZ PHE A 62 -13.989 -4.222 -0.196 1.00 0.00 H new ATOM 999 N PRO A 63 -13.360 -9.540 -6.668 1.00 0.00 N ATOM 1000 CA PRO A 63 -12.902 -10.336 -7.813 1.00 0.00 C ATOM 1001 C PRO A 63 -11.418 -10.126 -8.091 1.00 0.00 C ATOM 1002 O PRO A 63 -10.993 -9.006 -8.396 1.00 0.00 O ATOM 1003 CB PRO A 63 -13.744 -9.815 -8.982 1.00 0.00 C ATOM 1004 CG PRO A 63 -14.931 -9.179 -8.348 1.00 0.00 C ATOM 1005 CD PRO A 63 -14.452 -8.626 -7.038 1.00 0.00 C ATOM 0 HA PRO A 63 -13.019 -11.406 -7.640 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -13.185 -9.097 -9.582 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -14.039 -10.626 -9.648 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -15.335 -8.389 -8.981 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -15.729 -9.906 -8.197 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -14.101 -7.599 -7.138 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -15.244 -8.621 -6.289 1.00 0.00 H new ATOM 1013 N ARG A 64 -10.642 -11.208 -7.980 1.00 0.00 N ATOM 1014 CA ARG A 64 -9.189 -11.145 -8.135 1.00 0.00 C ATOM 1015 C ARG A 64 -8.615 -10.098 -7.191 1.00 0.00 C ATOM 1016 O ARG A 64 -8.182 -9.038 -7.626 1.00 0.00 O ATOM 1017 CB ARG A 64 -8.809 -10.817 -9.581 1.00 0.00 C ATOM 1018 CG ARG A 64 -9.114 -11.932 -10.564 1.00 0.00 C ATOM 1019 CD ARG A 64 -8.855 -11.498 -11.992 1.00 0.00 C ATOM 1020 NE ARG A 64 -7.463 -11.108 -12.218 1.00 0.00 N ATOM 1021 CZ ARG A 64 -6.883 -11.088 -13.419 1.00 0.00 C ATOM 1022 NH1 ARG A 64 -7.560 -11.461 -14.499 1.00 0.00 N ATOM 1023 NH2 ARG A 64 -5.623 -10.694 -13.548 1.00 0.00 N ATOM 0 H ARG A 64 -11.000 -12.142 -7.782 1.00 0.00 H new ATOM 0 HA ARG A 64 -8.771 -12.121 -7.887 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -9.340 -9.917 -9.891 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -7.744 -10.589 -9.624 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -8.501 -12.803 -10.330 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -10.155 -12.237 -10.458 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -9.115 -12.313 -12.668 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -9.508 -10.660 -12.237 1.00 0.00 H new ATOM 0 HE ARG A 64 -6.903 -10.835 -11.410 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -8.530 -11.765 -14.413 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -7.110 -11.443 -15.414 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -5.093 -10.404 -12.726 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -5.185 -10.681 -14.469 1.00 0.00 H new ATOM 1037 N PRO A 65 -8.600 -10.386 -5.882 1.00 0.00 N ATOM 1038 CA PRO A 65 -8.285 -9.385 -4.862 1.00 0.00 C ATOM 1039 C PRO A 65 -6.856 -8.869 -4.958 1.00 0.00 C ATOM 1040 O PRO A 65 -6.565 -7.749 -4.559 1.00 0.00 O ATOM 1041 CB PRO A 65 -8.506 -10.124 -3.541 1.00 0.00 C ATOM 1042 CG PRO A 65 -8.393 -11.568 -3.876 1.00 0.00 C ATOM 1043 CD PRO A 65 -8.869 -11.709 -5.294 1.00 0.00 C ATOM 0 HA PRO A 65 -8.906 -8.496 -4.973 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -7.763 -9.833 -2.798 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -9.485 -9.893 -3.120 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -7.363 -11.911 -3.775 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -8.998 -12.173 -3.201 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -8.333 -12.498 -5.820 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -9.929 -11.960 -5.338 1.00 0.00 H new ATOM 1051 N LYS A 66 -5.977 -9.691 -5.494 1.00 0.00 N ATOM 1052 CA LYS A 66 -4.588 -9.325 -5.672 1.00 0.00 C ATOM 1053 C LYS A 66 -4.435 -8.375 -6.851 1.00 0.00 C ATOM 1054 O LYS A 66 -4.511 -8.785 -8.011 1.00 0.00 O ATOM 1055 CB LYS A 66 -3.731 -10.570 -5.876 1.00 0.00 C ATOM 1056 CG LYS A 66 -2.272 -10.263 -6.177 1.00 0.00 C ATOM 1057 CD LYS A 66 -1.448 -11.534 -6.275 1.00 0.00 C ATOM 1058 CE LYS A 66 -0.222 -11.342 -7.153 1.00 0.00 C ATOM 1059 NZ LYS A 66 0.577 -12.587 -7.273 1.00 0.00 N ATOM 0 H LYS A 66 -6.206 -10.631 -5.818 1.00 0.00 H new ATOM 0 HA LYS A 66 -4.247 -8.815 -4.771 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -3.786 -11.189 -4.981 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -4.147 -11.157 -6.695 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -2.201 -9.708 -7.113 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -1.864 -9.623 -5.395 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -1.136 -11.844 -5.277 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -2.064 -12.337 -6.680 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -0.534 -11.015 -8.145 1.00 0.00 H new ATOM 0 HE3 LYS A 66 0.401 -10.550 -6.737 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 1.403 -12.412 -7.880 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 0.897 -12.886 -6.330 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -0.009 -13.336 -7.694 1.00 0.00 H new ATOM 1073 N ARG A 67 -4.251 -7.103 -6.547 1.00 0.00 N ATOM 1074 CA ARG A 67 -4.029 -6.104 -7.576 1.00 0.00 C ATOM 1075 C ARG A 67 -2.563 -5.705 -7.580 1.00 0.00 C ATOM 1076 O ARG A 67 -2.043 -5.220 -6.575 1.00 0.00 O ATOM 1077 CB ARG A 67 -4.915 -4.876 -7.342 1.00 0.00 C ATOM 1078 CG ARG A 67 -6.353 -5.216 -6.989 1.00 0.00 C ATOM 1079 CD ARG A 67 -6.972 -6.172 -8.000 1.00 0.00 C ATOM 1080 NE ARG A 67 -8.393 -6.414 -7.746 1.00 0.00 N ATOM 1081 CZ ARG A 67 -9.367 -5.526 -7.943 1.00 0.00 C ATOM 1082 NH1 ARG A 67 -9.095 -4.313 -8.410 1.00 0.00 N ATOM 1083 NH2 ARG A 67 -10.628 -5.860 -7.693 1.00 0.00 N ATOM 0 H ARG A 67 -4.251 -6.737 -5.595 1.00 0.00 H new ATOM 0 HA ARG A 67 -4.293 -6.528 -8.545 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -4.485 -4.277 -6.539 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -4.907 -4.258 -8.240 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -6.387 -5.665 -5.996 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -6.943 -4.300 -6.946 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -6.850 -5.764 -9.003 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -6.435 -7.120 -7.974 1.00 0.00 H new ATOM 0 HE ARG A 67 -8.658 -7.333 -7.391 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -8.132 -4.052 -8.622 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -9.849 -3.642 -8.557 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -10.850 -6.795 -7.351 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -11.375 -5.182 -7.843 1.00 0.00 H new ATOM 1097 N VAL A 68 -1.895 -5.934 -8.695 1.00 0.00 N ATOM 1098 CA VAL A 68 -0.464 -5.689 -8.780 1.00 0.00 C ATOM 1099 C VAL A 68 -0.183 -4.366 -9.498 1.00 0.00 C ATOM 1100 O VAL A 68 -0.941 -3.949 -10.374 1.00 0.00 O ATOM 1101 CB VAL A 68 0.273 -6.855 -9.498 1.00 0.00 C ATOM 1102 CG1 VAL A 68 -0.381 -8.199 -9.187 1.00 0.00 C ATOM 1103 CG2 VAL A 68 0.343 -6.630 -10.999 1.00 0.00 C ATOM 0 H VAL A 68 -2.317 -6.288 -9.553 1.00 0.00 H new ATOM 0 HA VAL A 68 -0.082 -5.626 -7.761 1.00 0.00 H new ATOM 0 HB VAL A 68 1.293 -6.876 -9.114 1.00 0.00 H new ATOM 0 HG11 VAL A 68 0.157 -8.994 -9.704 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -0.350 -8.379 -8.112 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -1.418 -8.185 -9.523 1.00 0.00 H new ATOM 0 HG21 VAL A 68 0.865 -7.464 -11.468 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -0.667 -6.559 -11.404 1.00 0.00 H new ATOM 0 HG23 VAL A 68 0.881 -5.705 -11.203 1.00 0.00 H new ATOM 1113 N CYS A 69 0.882 -3.690 -9.091 1.00 0.00 N ATOM 1114 CA CYS A 69 1.349 -2.503 -9.786 1.00 0.00 C ATOM 1115 C CYS A 69 2.845 -2.626 -10.060 1.00 0.00 C ATOM 1116 O CYS A 69 3.648 -2.709 -9.134 1.00 0.00 O ATOM 1117 CB CYS A 69 1.053 -1.242 -8.967 1.00 0.00 C ATOM 1118 SG CYS A 69 -0.708 -0.905 -8.748 1.00 0.00 S ATOM 0 H CYS A 69 1.441 -3.947 -8.277 1.00 0.00 H new ATOM 0 HA CYS A 69 0.819 -2.418 -10.735 1.00 0.00 H new ATOM 0 HB2 CYS A 69 1.518 -1.341 -7.986 1.00 0.00 H new ATOM 0 HB3 CYS A 69 1.518 -0.386 -9.456 1.00 0.00 H new ATOM 0 HG CYS A 69 -1.403 -1.879 -9.257 1.00 0.00 H new ATOM 1124 N LYS A 70 3.208 -2.691 -11.332 1.00 0.00 N ATOM 1125 CA LYS A 70 4.606 -2.829 -11.735 1.00 0.00 C ATOM 1126 C LYS A 70 5.106 -1.512 -12.321 1.00 0.00 C ATOM 1127 O LYS A 70 6.203 -1.430 -12.873 1.00 0.00 O ATOM 1128 CB LYS A 70 4.743 -3.946 -12.781 1.00 0.00 C ATOM 1129 CG LYS A 70 4.009 -5.235 -12.420 1.00 0.00 C ATOM 1130 CD LYS A 70 3.864 -6.147 -13.625 1.00 0.00 C ATOM 1131 CE LYS A 70 3.101 -7.413 -13.274 1.00 0.00 C ATOM 1132 NZ LYS A 70 2.772 -8.217 -14.481 1.00 0.00 N ATOM 0 H LYS A 70 2.551 -2.650 -12.111 1.00 0.00 H new ATOM 0 HA LYS A 70 5.204 -3.085 -10.860 1.00 0.00 H new ATOM 0 HB2 LYS A 70 4.366 -3.582 -13.737 1.00 0.00 H new ATOM 0 HB3 LYS A 70 5.801 -4.170 -12.920 1.00 0.00 H new ATOM 0 HG2 LYS A 70 4.552 -5.756 -11.631 1.00 0.00 H new ATOM 0 HG3 LYS A 70 3.023 -4.995 -12.023 1.00 0.00 H new ATOM 0 HD2 LYS A 70 3.345 -5.617 -14.424 1.00 0.00 H new ATOM 0 HD3 LYS A 70 4.851 -6.409 -14.006 1.00 0.00 H new ATOM 0 HE2 LYS A 70 3.695 -8.016 -12.587 1.00 0.00 H new ATOM 0 HE3 LYS A 70 2.181 -7.149 -12.752 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 2.252 -9.072 -14.198 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 2.183 -7.651 -15.125 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 3.650 -8.491 -14.966 1.00 0.00 H new ATOM 1146 N ASP A 71 4.281 -0.491 -12.190 1.00 0.00 N ATOM 1147 CA ASP A 71 4.533 0.810 -12.789 1.00 0.00 C ATOM 1148 C ASP A 71 4.536 1.892 -11.711 1.00 0.00 C ATOM 1149 O ASP A 71 4.388 1.564 -10.538 1.00 0.00 O ATOM 1150 CB ASP A 71 3.451 1.089 -13.842 1.00 0.00 C ATOM 1151 CG ASP A 71 3.781 0.476 -15.186 1.00 0.00 C ATOM 1152 OD1 ASP A 71 4.596 1.065 -15.925 1.00 0.00 O ATOM 1153 OD2 ASP A 71 3.229 -0.600 -15.511 1.00 0.00 O ATOM 0 H ASP A 71 3.410 -0.539 -11.661 1.00 0.00 H new ATOM 0 HA ASP A 71 5.511 0.815 -13.271 1.00 0.00 H new ATOM 0 HB2 ASP A 71 2.497 0.696 -13.491 1.00 0.00 H new ATOM 0 HB3 ASP A 71 3.329 2.166 -13.957 1.00 0.00 H new ATOM 1158 N PRO A 72 4.780 3.179 -12.072 1.00 0.00 N ATOM 1159 CA PRO A 72 4.527 4.346 -11.183 1.00 0.00 C ATOM 1160 C PRO A 72 3.167 4.269 -10.421 1.00 0.00 C ATOM 1161 O PRO A 72 2.497 3.242 -10.496 1.00 0.00 O ATOM 1162 CB PRO A 72 4.586 5.496 -12.187 1.00 0.00 C ATOM 1163 CG PRO A 72 5.648 5.075 -13.134 1.00 0.00 C ATOM 1164 CD PRO A 72 5.425 3.606 -13.340 1.00 0.00 C ATOM 0 HA PRO A 72 5.238 4.432 -10.361 1.00 0.00 H new ATOM 0 HB2 PRO A 72 3.631 5.637 -12.692 1.00 0.00 H new ATOM 0 HB3 PRO A 72 4.832 6.440 -11.702 1.00 0.00 H new ATOM 0 HG2 PRO A 72 5.577 5.621 -14.075 1.00 0.00 H new ATOM 0 HG3 PRO A 72 6.640 5.270 -12.727 1.00 0.00 H new ATOM 0 HD2 PRO A 72 4.786 3.413 -14.202 1.00 0.00 H new ATOM 0 HD3 PRO A 72 6.362 3.077 -13.513 1.00 0.00 H new ATOM 1172 N PRO A 73 2.681 5.373 -9.760 1.00 0.00 N ATOM 1173 CA PRO A 73 1.737 5.327 -8.639 1.00 0.00 C ATOM 1174 C PRO A 73 1.001 4.012 -8.449 1.00 0.00 C ATOM 1175 O PRO A 73 0.112 3.634 -9.217 1.00 0.00 O ATOM 1176 CB PRO A 73 0.761 6.423 -9.044 1.00 0.00 C ATOM 1177 CG PRO A 73 1.606 7.430 -9.774 1.00 0.00 C ATOM 1178 CD PRO A 73 2.942 6.785 -10.046 1.00 0.00 C ATOM 0 HA PRO A 73 2.246 5.448 -7.683 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -0.031 6.033 -9.683 1.00 0.00 H new ATOM 0 HB3 PRO A 73 0.279 6.867 -8.173 1.00 0.00 H new ATOM 0 HG2 PRO A 73 1.127 7.729 -10.706 1.00 0.00 H new ATOM 0 HG3 PRO A 73 1.730 8.333 -9.176 1.00 0.00 H new ATOM 0 HD2 PRO A 73 3.263 6.937 -11.077 1.00 0.00 H new ATOM 0 HD3 PRO A 73 3.725 7.190 -9.405 1.00 0.00 H new ATOM 1186 N TYR A 74 1.381 3.353 -7.372 1.00 0.00 N ATOM 1187 CA TYR A 74 0.868 2.048 -7.019 1.00 0.00 C ATOM 1188 C TYR A 74 -0.396 2.216 -6.205 1.00 0.00 C ATOM 1189 O TYR A 74 -0.371 2.780 -5.108 1.00 0.00 O ATOM 1190 CB TYR A 74 1.903 1.290 -6.203 1.00 0.00 C ATOM 1191 CG TYR A 74 3.319 1.399 -6.734 1.00 0.00 C ATOM 1192 CD1 TYR A 74 4.070 2.542 -6.510 1.00 0.00 C ATOM 1193 CD2 TYR A 74 3.904 0.363 -7.444 1.00 0.00 C ATOM 1194 CE1 TYR A 74 5.357 2.653 -6.978 1.00 0.00 C ATOM 1195 CE2 TYR A 74 5.201 0.462 -7.915 1.00 0.00 C ATOM 1196 CZ TYR A 74 5.922 1.611 -7.677 1.00 0.00 C ATOM 1197 OH TYR A 74 7.214 1.723 -8.139 1.00 0.00 O ATOM 0 H TYR A 74 2.065 3.717 -6.709 1.00 0.00 H new ATOM 0 HA TYR A 74 0.650 1.485 -7.927 1.00 0.00 H new ATOM 0 HB2 TYR A 74 1.882 1.660 -5.178 1.00 0.00 H new ATOM 0 HB3 TYR A 74 1.621 0.238 -6.168 1.00 0.00 H new ATOM 0 HD1 TYR A 74 3.635 3.361 -5.957 1.00 0.00 H new ATOM 0 HD2 TYR A 74 3.338 -0.537 -7.633 1.00 0.00 H new ATOM 0 HE1 TYR A 74 5.923 3.555 -6.798 1.00 0.00 H new ATOM 0 HE2 TYR A 74 5.644 -0.355 -8.465 1.00 0.00 H new ATOM 0 HH TYR A 74 7.548 0.838 -8.395 1.00 0.00 H new ATOM 1207 N LYS A 75 -1.492 1.739 -6.743 1.00 0.00 N ATOM 1208 CA LYS A 75 -2.791 2.006 -6.170 1.00 0.00 C ATOM 1209 C LYS A 75 -3.811 0.977 -6.613 1.00 0.00 C ATOM 1210 O LYS A 75 -3.580 0.202 -7.542 1.00 0.00 O ATOM 1211 CB LYS A 75 -3.240 3.396 -6.607 1.00 0.00 C ATOM 1212 CG LYS A 75 -3.050 3.619 -8.092 1.00 0.00 C ATOM 1213 CD LYS A 75 -3.741 4.875 -8.577 1.00 0.00 C ATOM 1214 CE LYS A 75 -5.066 5.111 -7.905 1.00 0.00 C ATOM 1215 NZ LYS A 75 -5.888 6.102 -8.651 1.00 0.00 N ATOM 0 H LYS A 75 -1.511 1.160 -7.583 1.00 0.00 H new ATOM 0 HA LYS A 75 -2.715 1.953 -5.084 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -4.291 3.533 -6.353 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -2.678 4.148 -6.054 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -1.985 3.684 -8.314 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -3.438 2.759 -8.639 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -3.092 5.732 -8.400 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -3.893 4.807 -9.654 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -5.610 4.169 -7.830 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -4.901 5.466 -6.888 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -6.463 6.651 -7.981 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -5.263 6.745 -9.178 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -6.513 5.604 -9.316 1.00 0.00 H new ATOM 1229 N VAL A 76 -4.943 1.003 -5.946 1.00 0.00 N ATOM 1230 CA VAL A 76 -6.070 0.128 -6.264 1.00 0.00 C ATOM 1231 C VAL A 76 -7.375 0.915 -6.215 1.00 0.00 C ATOM 1232 O VAL A 76 -7.606 1.679 -5.277 1.00 0.00 O ATOM 1233 CB VAL A 76 -6.163 -1.079 -5.305 1.00 0.00 C ATOM 1234 CG1 VAL A 76 -7.532 -1.722 -5.386 1.00 0.00 C ATOM 1235 CG2 VAL A 76 -5.097 -2.108 -5.624 1.00 0.00 C ATOM 0 H VAL A 76 -5.117 1.632 -5.162 1.00 0.00 H new ATOM 0 HA VAL A 76 -5.902 -0.257 -7.270 1.00 0.00 H new ATOM 0 HB VAL A 76 -6.002 -0.710 -4.292 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -7.577 -2.570 -4.703 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -8.293 -0.993 -5.109 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -7.713 -2.066 -6.404 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -5.184 -2.948 -4.935 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -5.228 -2.463 -6.646 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -4.111 -1.655 -5.521 1.00 0.00 H new ATOM 1245 N GLU A 77 -8.208 0.744 -7.235 1.00 0.00 N ATOM 1246 CA GLU A 77 -9.503 1.410 -7.297 1.00 0.00 C ATOM 1247 C GLU A 77 -10.609 0.379 -7.199 1.00 0.00 C ATOM 1248 O GLU A 77 -10.814 -0.402 -8.128 1.00 0.00 O ATOM 1249 CB GLU A 77 -9.652 2.191 -8.604 1.00 0.00 C ATOM 1250 CG GLU A 77 -8.414 2.961 -8.993 1.00 0.00 C ATOM 1251 CD GLU A 77 -7.593 2.257 -10.054 1.00 0.00 C ATOM 1252 OE1 GLU A 77 -6.817 1.341 -9.714 1.00 0.00 O ATOM 1253 OE2 GLU A 77 -7.718 2.625 -11.241 1.00 0.00 O ATOM 0 H GLU A 77 -8.007 0.145 -8.036 1.00 0.00 H new ATOM 0 HA GLU A 77 -9.571 2.109 -6.464 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -9.904 1.497 -9.405 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -10.487 2.886 -8.509 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -8.704 3.946 -9.359 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -7.797 3.119 -8.108 1.00 0.00 H new ATOM 1260 N GLU A 78 -11.323 0.378 -6.088 1.00 0.00 N ATOM 1261 CA GLU A 78 -12.328 -0.648 -5.853 1.00 0.00 C ATOM 1262 C GLU A 78 -13.604 -0.087 -5.258 1.00 0.00 C ATOM 1263 O GLU A 78 -13.710 1.110 -4.980 1.00 0.00 O ATOM 1264 CB GLU A 78 -11.783 -1.739 -4.933 1.00 0.00 C ATOM 1265 CG GLU A 78 -11.184 -2.908 -5.681 1.00 0.00 C ATOM 1266 CD GLU A 78 -12.036 -3.346 -6.853 1.00 0.00 C ATOM 1267 OE1 GLU A 78 -13.165 -3.811 -6.633 1.00 0.00 O ATOM 1268 OE2 GLU A 78 -11.575 -3.235 -8.006 1.00 0.00 O ATOM 0 H GLU A 78 -11.229 1.066 -5.341 1.00 0.00 H new ATOM 0 HA GLU A 78 -12.568 -1.071 -6.829 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -11.025 -1.308 -4.279 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -12.588 -2.100 -4.293 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -10.192 -2.635 -6.040 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -11.056 -3.746 -4.996 1.00 0.00 H new ATOM 1275 N SER A 79 -14.556 -0.982 -5.054 1.00 0.00 N ATOM 1276 CA SER A 79 -15.852 -0.624 -4.517 1.00 0.00 C ATOM 1277 C SER A 79 -16.397 -1.784 -3.689 1.00 0.00 C ATOM 1278 O SER A 79 -16.119 -2.950 -3.975 1.00 0.00 O ATOM 1279 CB SER A 79 -16.813 -0.266 -5.656 1.00 0.00 C ATOM 1280 OG SER A 79 -18.043 0.246 -5.165 1.00 0.00 O ATOM 0 H SER A 79 -14.449 -1.976 -5.257 1.00 0.00 H new ATOM 0 HA SER A 79 -15.752 0.249 -3.872 1.00 0.00 H new ATOM 0 HB2 SER A 79 -16.346 0.472 -6.308 1.00 0.00 H new ATOM 0 HB3 SER A 79 -17.004 -1.151 -6.263 1.00 0.00 H new ATOM 0 HG SER A 79 -18.630 0.465 -5.918 1.00 0.00 H new ATOM 1286 N GLY A 80 -17.151 -1.450 -2.659 1.00 0.00 N ATOM 1287 CA GLY A 80 -17.693 -2.437 -1.756 1.00 0.00 C ATOM 1288 C GLY A 80 -18.664 -1.791 -0.794 1.00 0.00 C ATOM 1289 O GLY A 80 -19.288 -0.796 -1.139 1.00 0.00 O ATOM 0 H GLY A 80 -17.402 -0.489 -2.428 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -18.198 -3.220 -2.322 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -16.885 -2.915 -1.202 1.00 0.00 H new ATOM 1293 N TYR A 81 -18.808 -2.325 0.405 1.00 0.00 N ATOM 1294 CA TYR A 81 -19.718 -1.718 1.373 1.00 0.00 C ATOM 1295 C TYR A 81 -19.191 -1.826 2.800 1.00 0.00 C ATOM 1296 O TYR A 81 -19.930 -1.598 3.757 1.00 0.00 O ATOM 1297 CB TYR A 81 -21.118 -2.340 1.270 1.00 0.00 C ATOM 1298 CG TYR A 81 -21.134 -3.851 1.387 1.00 0.00 C ATOM 1299 CD1 TYR A 81 -21.128 -4.471 2.627 1.00 0.00 C ATOM 1300 CD2 TYR A 81 -21.152 -4.656 0.253 1.00 0.00 C ATOM 1301 CE1 TYR A 81 -21.137 -5.845 2.740 1.00 0.00 C ATOM 1302 CE2 TYR A 81 -21.162 -6.034 0.357 1.00 0.00 C ATOM 1303 CZ TYR A 81 -21.154 -6.622 1.605 1.00 0.00 C ATOM 1304 OH TYR A 81 -21.165 -7.993 1.721 1.00 0.00 O ATOM 0 H TYR A 81 -18.321 -3.159 0.732 1.00 0.00 H new ATOM 0 HA TYR A 81 -19.785 -0.658 1.128 1.00 0.00 H new ATOM 0 HB2 TYR A 81 -21.749 -1.919 2.053 1.00 0.00 H new ATOM 0 HB3 TYR A 81 -21.561 -2.055 0.316 1.00 0.00 H new ATOM 0 HD1 TYR A 81 -21.116 -3.866 3.522 1.00 0.00 H new ATOM 0 HD2 TYR A 81 -21.158 -4.197 -0.725 1.00 0.00 H new ATOM 0 HE1 TYR A 81 -21.131 -6.309 3.715 1.00 0.00 H new ATOM 0 HE2 TYR A 81 -21.176 -6.646 -0.533 1.00 0.00 H new ATOM 0 HH TYR A 81 -21.178 -8.397 0.828 1.00 0.00 H new ATOM 1314 N ALA A 82 -17.914 -2.145 2.947 1.00 0.00 N ATOM 1315 CA ALA A 82 -17.319 -2.282 4.266 1.00 0.00 C ATOM 1316 C ALA A 82 -15.809 -2.096 4.199 1.00 0.00 C ATOM 1317 O ALA A 82 -15.210 -2.216 3.130 1.00 0.00 O ATOM 1318 CB ALA A 82 -17.647 -3.645 4.854 1.00 0.00 C ATOM 0 H ALA A 82 -17.273 -2.313 2.172 1.00 0.00 H new ATOM 0 HA ALA A 82 -17.736 -1.507 4.909 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -17.195 -3.733 5.842 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -18.728 -3.754 4.939 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -17.253 -4.426 4.204 1.00 0.00 H new ATOM 1324 N GLY A 83 -15.206 -1.799 5.345 1.00 0.00 N ATOM 1325 CA GLY A 83 -13.767 -1.667 5.419 1.00 0.00 C ATOM 1326 C GLY A 83 -13.115 -2.915 5.979 1.00 0.00 C ATOM 1327 O GLY A 83 -13.806 -3.883 6.290 1.00 0.00 O ATOM 0 H GLY A 83 -15.694 -1.647 6.228 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -13.369 -1.464 4.425 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -13.512 -0.812 6.045 1.00 0.00 H new ATOM 1331 N PHE A 84 -11.794 -2.885 6.117 1.00 0.00 N ATOM 1332 CA PHE A 84 -11.019 -4.056 6.541 1.00 0.00 C ATOM 1333 C PHE A 84 -9.523 -3.761 6.474 1.00 0.00 C ATOM 1334 O PHE A 84 -9.090 -2.893 5.719 1.00 0.00 O ATOM 1335 CB PHE A 84 -11.344 -5.281 5.658 1.00 0.00 C ATOM 1336 CG PHE A 84 -11.108 -5.083 4.178 1.00 0.00 C ATOM 1337 CD1 PHE A 84 -12.016 -4.375 3.402 1.00 0.00 C ATOM 1338 CD2 PHE A 84 -9.987 -5.614 3.563 1.00 0.00 C ATOM 1339 CE1 PHE A 84 -11.810 -4.200 2.048 1.00 0.00 C ATOM 1340 CE2 PHE A 84 -9.773 -5.444 2.209 1.00 0.00 C ATOM 1341 CZ PHE A 84 -10.684 -4.734 1.448 1.00 0.00 C ATOM 0 H PHE A 84 -11.228 -2.055 5.940 1.00 0.00 H new ATOM 0 HA PHE A 84 -11.294 -4.282 7.571 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -10.742 -6.124 5.997 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -12.388 -5.553 5.811 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -12.897 -3.955 3.865 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -9.270 -6.169 4.150 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -12.527 -3.647 1.459 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -8.894 -5.866 1.744 1.00 0.00 H new ATOM 0 HZ PHE A 84 -10.517 -4.597 0.390 1.00 0.00 H new ATOM 1351 N ILE A 85 -8.740 -4.461 7.292 1.00 0.00 N ATOM 1352 CA ILE A 85 -7.287 -4.416 7.176 1.00 0.00 C ATOM 1353 C ILE A 85 -6.868 -4.998 5.835 1.00 0.00 C ATOM 1354 O ILE A 85 -7.199 -6.143 5.516 1.00 0.00 O ATOM 1355 CB ILE A 85 -6.581 -5.202 8.311 1.00 0.00 C ATOM 1356 CG1 ILE A 85 -6.594 -4.410 9.617 1.00 0.00 C ATOM 1357 CG2 ILE A 85 -5.147 -5.548 7.929 1.00 0.00 C ATOM 1358 CD1 ILE A 85 -5.744 -3.160 9.580 1.00 0.00 C ATOM 0 H ILE A 85 -9.087 -5.063 8.039 1.00 0.00 H new ATOM 0 HA ILE A 85 -6.986 -3.372 7.256 1.00 0.00 H new ATOM 0 HB ILE A 85 -7.135 -6.129 8.459 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -7.621 -4.133 9.853 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -6.244 -5.053 10.425 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -4.676 -6.099 8.743 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -5.148 -6.162 7.029 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -4.589 -4.631 7.741 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -5.803 -2.651 10.542 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -4.708 -3.430 9.376 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -6.107 -2.496 8.795 1.00 0.00 H new ATOM 1370 N LEU A 86 -6.152 -4.214 5.053 1.00 0.00 N ATOM 1371 CA LEU A 86 -5.720 -4.653 3.744 1.00 0.00 C ATOM 1372 C LEU A 86 -4.214 -4.870 3.745 1.00 0.00 C ATOM 1373 O LEU A 86 -3.441 -3.919 3.858 1.00 0.00 O ATOM 1374 CB LEU A 86 -6.129 -3.628 2.685 1.00 0.00 C ATOM 1375 CG LEU A 86 -6.368 -4.210 1.293 1.00 0.00 C ATOM 1376 CD1 LEU A 86 -7.451 -3.433 0.566 1.00 0.00 C ATOM 1377 CD2 LEU A 86 -5.100 -4.183 0.479 1.00 0.00 C ATOM 0 H LEU A 86 -5.858 -3.270 5.303 1.00 0.00 H new ATOM 0 HA LEU A 86 -6.203 -5.600 3.501 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -7.039 -3.127 3.016 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -5.352 -2.866 2.617 1.00 0.00 H new ATOM 0 HG LEU A 86 -6.691 -5.244 1.415 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -7.606 -3.864 -0.423 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -8.380 -3.485 1.134 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -7.146 -2.391 0.465 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -5.293 -4.602 -0.509 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -4.756 -3.154 0.376 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -4.333 -4.774 0.980 1.00 0.00 H new ATOM 1389 N PRO A 87 -3.782 -6.137 3.657 1.00 0.00 N ATOM 1390 CA PRO A 87 -2.367 -6.489 3.630 1.00 0.00 C ATOM 1391 C PRO A 87 -1.722 -6.101 2.301 1.00 0.00 C ATOM 1392 O PRO A 87 -1.850 -6.811 1.295 1.00 0.00 O ATOM 1393 CB PRO A 87 -2.352 -8.015 3.814 1.00 0.00 C ATOM 1394 CG PRO A 87 -3.755 -8.399 4.154 1.00 0.00 C ATOM 1395 CD PRO A 87 -4.635 -7.327 3.581 1.00 0.00 C ATOM 0 HA PRO A 87 -1.801 -5.966 4.400 1.00 0.00 H new ATOM 0 HB2 PRO A 87 -2.019 -8.515 2.904 1.00 0.00 H new ATOM 0 HB3 PRO A 87 -1.664 -8.306 4.608 1.00 0.00 H new ATOM 0 HG2 PRO A 87 -4.004 -9.373 3.733 1.00 0.00 H new ATOM 0 HG3 PRO A 87 -3.887 -8.475 5.233 1.00 0.00 H new ATOM 0 HD2 PRO A 87 -4.929 -7.550 2.555 1.00 0.00 H new ATOM 0 HD3 PRO A 87 -5.553 -7.205 4.157 1.00 0.00 H new ATOM 1403 N ILE A 88 -1.054 -4.960 2.300 1.00 0.00 N ATOM 1404 CA ILE A 88 -0.416 -4.447 1.105 1.00 0.00 C ATOM 1405 C ILE A 88 1.046 -4.859 1.070 1.00 0.00 C ATOM 1406 O ILE A 88 1.715 -4.884 2.100 1.00 0.00 O ATOM 1407 CB ILE A 88 -0.519 -2.909 1.040 1.00 0.00 C ATOM 1408 CG1 ILE A 88 -1.971 -2.479 1.263 1.00 0.00 C ATOM 1409 CG2 ILE A 88 -0.018 -2.410 -0.308 1.00 0.00 C ATOM 1410 CD1 ILE A 88 -2.121 -1.062 1.764 1.00 0.00 C ATOM 0 H ILE A 88 -0.940 -4.368 3.123 1.00 0.00 H new ATOM 0 HA ILE A 88 -0.932 -4.869 0.243 1.00 0.00 H new ATOM 0 HB ILE A 88 0.101 -2.473 1.823 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -2.518 -2.582 0.326 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -2.435 -3.158 1.979 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -0.094 -1.323 -0.345 1.00 0.00 H new ATOM 0 HG22 ILE A 88 1.023 -2.705 -0.441 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -0.623 -2.844 -1.104 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -3.178 -0.833 1.897 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -1.604 -0.957 2.718 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -1.689 -0.372 1.039 1.00 0.00 H new ATOM 1422 N GLU A 89 1.536 -5.187 -0.110 1.00 0.00 N ATOM 1423 CA GLU A 89 2.927 -5.574 -0.270 1.00 0.00 C ATOM 1424 C GLU A 89 3.644 -4.649 -1.228 1.00 0.00 C ATOM 1425 O GLU A 89 3.156 -4.366 -2.326 1.00 0.00 O ATOM 1426 CB GLU A 89 3.068 -6.997 -0.796 1.00 0.00 C ATOM 1427 CG GLU A 89 2.750 -8.077 0.215 1.00 0.00 C ATOM 1428 CD GLU A 89 3.095 -9.461 -0.305 1.00 0.00 C ATOM 1429 OE1 GLU A 89 4.245 -9.914 -0.100 1.00 0.00 O ATOM 1430 OE2 GLU A 89 2.224 -10.099 -0.931 1.00 0.00 O ATOM 0 H GLU A 89 0.992 -5.194 -0.973 1.00 0.00 H new ATOM 0 HA GLU A 89 3.374 -5.510 0.722 1.00 0.00 H new ATOM 0 HB2 GLU A 89 2.411 -7.119 -1.657 1.00 0.00 H new ATOM 0 HB3 GLU A 89 4.089 -7.139 -1.151 1.00 0.00 H new ATOM 0 HG2 GLU A 89 3.303 -7.887 1.135 1.00 0.00 H new ATOM 0 HG3 GLU A 89 1.690 -8.038 0.466 1.00 0.00 H new ATOM 1437 N VAL A 90 4.807 -4.199 -0.817 1.00 0.00 N ATOM 1438 CA VAL A 90 5.688 -3.485 -1.708 1.00 0.00 C ATOM 1439 C VAL A 90 6.919 -4.334 -1.960 1.00 0.00 C ATOM 1440 O VAL A 90 7.636 -4.699 -1.026 1.00 0.00 O ATOM 1441 CB VAL A 90 6.106 -2.107 -1.183 1.00 0.00 C ATOM 1442 CG1 VAL A 90 6.845 -1.385 -2.280 1.00 0.00 C ATOM 1443 CG2 VAL A 90 4.890 -1.316 -0.739 1.00 0.00 C ATOM 0 H VAL A 90 5.164 -4.316 0.131 1.00 0.00 H new ATOM 0 HA VAL A 90 5.137 -3.304 -2.631 1.00 0.00 H new ATOM 0 HB VAL A 90 6.757 -2.220 -0.316 1.00 0.00 H new ATOM 0 HG11 VAL A 90 7.151 -0.401 -1.926 1.00 0.00 H new ATOM 0 HG12 VAL A 90 7.727 -1.959 -2.564 1.00 0.00 H new ATOM 0 HG13 VAL A 90 6.192 -1.272 -3.145 1.00 0.00 H new ATOM 0 HG21 VAL A 90 5.206 -0.340 -0.369 1.00 0.00 H new ATOM 0 HG22 VAL A 90 4.214 -1.183 -1.584 1.00 0.00 H new ATOM 0 HG23 VAL A 90 4.375 -1.856 0.056 1.00 0.00 H new ATOM 1453 N TYR A 91 7.136 -4.686 -3.213 1.00 0.00 N ATOM 1454 CA TYR A 91 8.277 -5.511 -3.572 1.00 0.00 C ATOM 1455 C TYR A 91 9.514 -4.659 -3.716 1.00 0.00 C ATOM 1456 O TYR A 91 9.528 -3.673 -4.449 1.00 0.00 O ATOM 1457 CB TYR A 91 8.038 -6.265 -4.872 1.00 0.00 C ATOM 1458 CG TYR A 91 7.315 -7.581 -4.712 1.00 0.00 C ATOM 1459 CD1 TYR A 91 6.127 -7.658 -4.010 1.00 0.00 C ATOM 1460 CD2 TYR A 91 7.826 -8.747 -5.267 1.00 0.00 C ATOM 1461 CE1 TYR A 91 5.464 -8.854 -3.861 1.00 0.00 C ATOM 1462 CE2 TYR A 91 7.165 -9.951 -5.127 1.00 0.00 C ATOM 1463 CZ TYR A 91 5.983 -9.999 -4.423 1.00 0.00 C ATOM 1464 OH TYR A 91 5.313 -11.191 -4.280 1.00 0.00 O ATOM 0 H TYR A 91 6.542 -4.416 -3.997 1.00 0.00 H new ATOM 0 HA TYR A 91 8.417 -6.237 -2.771 1.00 0.00 H new ATOM 0 HB2 TYR A 91 7.463 -5.629 -5.545 1.00 0.00 H new ATOM 0 HB3 TYR A 91 8.999 -6.450 -5.352 1.00 0.00 H new ATOM 0 HD1 TYR A 91 5.712 -6.763 -3.571 1.00 0.00 H new ATOM 0 HD2 TYR A 91 8.755 -8.711 -5.817 1.00 0.00 H new ATOM 0 HE1 TYR A 91 4.539 -8.895 -3.305 1.00 0.00 H new ATOM 0 HE2 TYR A 91 7.573 -10.849 -5.567 1.00 0.00 H new ATOM 0 HH TYR A 91 5.810 -11.902 -4.736 1.00 0.00 H new ATOM 1474 N PHE A 92 10.545 -5.071 -3.034 1.00 0.00 N ATOM 1475 CA PHE A 92 11.802 -4.361 -3.022 1.00 0.00 C ATOM 1476 C PHE A 92 12.758 -5.012 -4.018 1.00 0.00 C ATOM 1477 O PHE A 92 12.570 -6.170 -4.393 1.00 0.00 O ATOM 1478 CB PHE A 92 12.391 -4.425 -1.612 1.00 0.00 C ATOM 1479 CG PHE A 92 11.622 -3.645 -0.581 1.00 0.00 C ATOM 1480 CD1 PHE A 92 11.044 -2.425 -0.894 1.00 0.00 C ATOM 1481 CD2 PHE A 92 11.504 -4.120 0.718 1.00 0.00 C ATOM 1482 CE1 PHE A 92 10.371 -1.696 0.061 1.00 0.00 C ATOM 1483 CE2 PHE A 92 10.821 -3.393 1.674 1.00 0.00 C ATOM 1484 CZ PHE A 92 10.260 -2.180 1.342 1.00 0.00 C ATOM 0 H PHE A 92 10.541 -5.917 -2.464 1.00 0.00 H new ATOM 0 HA PHE A 92 11.649 -3.320 -3.305 1.00 0.00 H new ATOM 0 HB2 PHE A 92 12.440 -5.468 -1.299 1.00 0.00 H new ATOM 0 HB3 PHE A 92 13.415 -4.053 -1.642 1.00 0.00 H new ATOM 0 HD1 PHE A 92 11.122 -2.041 -1.900 1.00 0.00 H new ATOM 0 HD2 PHE A 92 11.950 -5.067 0.984 1.00 0.00 H new ATOM 0 HE1 PHE A 92 9.931 -0.744 -0.197 1.00 0.00 H new ATOM 0 HE2 PHE A 92 10.727 -3.775 2.680 1.00 0.00 H new ATOM 0 HZ PHE A 92 9.732 -1.608 2.090 1.00 0.00 H new ATOM 1494 N LYS A 93 13.771 -4.282 -4.460 1.00 0.00 N ATOM 1495 CA LYS A 93 14.786 -4.861 -5.332 1.00 0.00 C ATOM 1496 C LYS A 93 15.998 -5.241 -4.501 1.00 0.00 C ATOM 1497 O LYS A 93 16.896 -4.415 -4.310 1.00 0.00 O ATOM 1498 CB LYS A 93 15.245 -3.859 -6.395 1.00 0.00 C ATOM 1499 CG LYS A 93 14.151 -3.273 -7.260 1.00 0.00 C ATOM 1500 CD LYS A 93 14.693 -2.084 -8.046 1.00 0.00 C ATOM 1501 CE LYS A 93 13.720 -1.605 -9.114 1.00 0.00 C ATOM 1502 NZ LYS A 93 14.402 -0.812 -10.170 1.00 0.00 N ATOM 0 H LYS A 93 13.913 -3.298 -4.233 1.00 0.00 H new ATOM 0 HA LYS A 93 14.349 -5.731 -5.822 1.00 0.00 H new ATOM 0 HB2 LYS A 93 15.766 -3.041 -5.896 1.00 0.00 H new ATOM 0 HB3 LYS A 93 15.971 -4.351 -7.043 1.00 0.00 H new ATOM 0 HG2 LYS A 93 13.772 -4.031 -7.945 1.00 0.00 H new ATOM 0 HG3 LYS A 93 13.313 -2.958 -6.638 1.00 0.00 H new ATOM 0 HD2 LYS A 93 14.907 -1.265 -7.360 1.00 0.00 H new ATOM 0 HD3 LYS A 93 15.637 -2.362 -8.516 1.00 0.00 H new ATOM 0 HE2 LYS A 93 13.227 -2.465 -9.567 1.00 0.00 H new ATOM 0 HE3 LYS A 93 12.942 -0.999 -8.650 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 14.068 0.172 -10.136 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 15.430 -0.834 -10.012 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 14.187 -1.218 -11.103 1.00 0.00 H new ATOM 1516 N ASN A 94 16.051 -6.471 -4.022 1.00 0.00 N ATOM 1517 CA ASN A 94 17.152 -6.873 -3.165 1.00 0.00 C ATOM 1518 C ASN A 94 17.380 -8.377 -3.211 1.00 0.00 C ATOM 1519 O ASN A 94 16.434 -9.156 -3.274 1.00 0.00 O ATOM 1520 CB ASN A 94 16.888 -6.418 -1.738 1.00 0.00 C ATOM 1521 CG ASN A 94 18.136 -6.409 -0.872 1.00 0.00 C ATOM 1522 OD1 ASN A 94 18.059 -6.582 0.341 1.00 0.00 O ATOM 1523 ND2 ASN A 94 19.295 -6.196 -1.482 1.00 0.00 N ATOM 0 H ASN A 94 15.359 -7.197 -4.207 1.00 0.00 H new ATOM 0 HA ASN A 94 18.059 -6.395 -3.534 1.00 0.00 H new ATOM 0 HB2 ASN A 94 16.459 -5.416 -1.756 1.00 0.00 H new ATOM 0 HB3 ASN A 94 16.145 -7.075 -1.286 1.00 0.00 H new ATOM 0 HD21 ASN A 94 20.159 -6.172 -0.941 1.00 0.00 H new ATOM 0 HD22 ASN A 94 19.322 -6.056 -2.492 1.00 0.00 H new ATOM 1530 N LYS A 95 18.644 -8.772 -3.200 1.00 0.00 N ATOM 1531 CA LYS A 95 19.015 -10.180 -3.134 1.00 0.00 C ATOM 1532 C LYS A 95 19.432 -10.526 -1.711 1.00 0.00 C ATOM 1533 O LYS A 95 19.835 -11.649 -1.405 1.00 0.00 O ATOM 1534 CB LYS A 95 20.155 -10.459 -4.099 1.00 0.00 C ATOM 1535 CG LYS A 95 19.834 -10.085 -5.535 1.00 0.00 C ATOM 1536 CD LYS A 95 20.938 -10.497 -6.499 1.00 0.00 C ATOM 1537 CE LYS A 95 22.199 -9.656 -6.348 1.00 0.00 C ATOM 1538 NZ LYS A 95 22.980 -9.989 -5.127 1.00 0.00 N ATOM 0 H LYS A 95 19.437 -8.132 -3.236 1.00 0.00 H new ATOM 0 HA LYS A 95 18.161 -10.796 -3.416 1.00 0.00 H new ATOM 0 HB2 LYS A 95 21.038 -9.907 -3.776 1.00 0.00 H new ATOM 0 HB3 LYS A 95 20.408 -11.518 -4.055 1.00 0.00 H new ATOM 0 HG2 LYS A 95 18.899 -10.560 -5.832 1.00 0.00 H new ATOM 0 HG3 LYS A 95 19.679 -9.008 -5.602 1.00 0.00 H new ATOM 0 HD2 LYS A 95 21.185 -11.546 -6.335 1.00 0.00 H new ATOM 0 HD3 LYS A 95 20.571 -10.412 -7.522 1.00 0.00 H new ATOM 0 HE2 LYS A 95 22.830 -9.798 -7.225 1.00 0.00 H new ATOM 0 HE3 LYS A 95 21.924 -8.602 -6.320 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 23.993 -10.024 -5.361 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 22.817 -9.261 -4.402 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 22.677 -10.915 -4.763 1.00 0.00 H new ATOM 1552 N GLU A 96 19.322 -9.526 -0.860 1.00 0.00 N ATOM 1553 CA GLU A 96 19.689 -9.618 0.546 1.00 0.00 C ATOM 1554 C GLU A 96 18.428 -9.781 1.401 1.00 0.00 C ATOM 1555 O GLU A 96 17.454 -10.381 0.939 1.00 0.00 O ATOM 1556 CB GLU A 96 20.466 -8.358 0.947 1.00 0.00 C ATOM 1557 CG GLU A 96 21.735 -8.137 0.145 1.00 0.00 C ATOM 1558 CD GLU A 96 22.655 -9.337 0.146 1.00 0.00 C ATOM 1559 OE1 GLU A 96 23.154 -9.707 1.225 1.00 0.00 O ATOM 1560 OE2 GLU A 96 22.886 -9.911 -0.937 1.00 0.00 O ATOM 0 H GLU A 96 18.969 -8.607 -1.128 1.00 0.00 H new ATOM 0 HA GLU A 96 20.325 -10.488 0.709 1.00 0.00 H new ATOM 0 HB2 GLU A 96 19.817 -7.490 0.829 1.00 0.00 H new ATOM 0 HB3 GLU A 96 20.723 -8.422 2.004 1.00 0.00 H new ATOM 0 HG2 GLU A 96 21.469 -7.891 -0.883 1.00 0.00 H new ATOM 0 HG3 GLU A 96 22.269 -7.277 0.550 1.00 0.00 H new ATOM 1567 N GLU A 97 18.499 -9.329 2.666 1.00 0.00 N ATOM 1568 CA GLU A 97 17.340 -9.238 3.578 1.00 0.00 C ATOM 1569 C GLU A 97 16.006 -8.956 2.867 1.00 0.00 C ATOM 1570 O GLU A 97 15.989 -8.440 1.749 1.00 0.00 O ATOM 1571 CB GLU A 97 17.587 -8.134 4.604 1.00 0.00 C ATOM 1572 CG GLU A 97 18.669 -8.466 5.615 1.00 0.00 C ATOM 1573 CD GLU A 97 18.297 -9.642 6.489 1.00 0.00 C ATOM 1574 OE1 GLU A 97 18.559 -10.800 6.087 1.00 0.00 O ATOM 1575 OE2 GLU A 97 17.740 -9.419 7.583 1.00 0.00 O ATOM 0 H GLU A 97 19.371 -9.013 3.090 1.00 0.00 H new ATOM 0 HA GLU A 97 17.249 -10.216 4.050 1.00 0.00 H new ATOM 0 HB2 GLU A 97 17.862 -7.219 4.080 1.00 0.00 H new ATOM 0 HB3 GLU A 97 16.657 -7.930 5.135 1.00 0.00 H new ATOM 0 HG2 GLU A 97 19.598 -8.686 5.090 1.00 0.00 H new ATOM 0 HG3 GLU A 97 18.856 -7.595 6.243 1.00 0.00 H new ATOM 1582 N PRO A 98 14.869 -9.214 3.561 1.00 0.00 N ATOM 1583 CA PRO A 98 13.540 -9.290 2.952 1.00 0.00 C ATOM 1584 C PRO A 98 13.293 -8.254 1.865 1.00 0.00 C ATOM 1585 O PRO A 98 13.204 -7.051 2.123 1.00 0.00 O ATOM 1586 CB PRO A 98 12.572 -9.079 4.130 1.00 0.00 C ATOM 1587 CG PRO A 98 13.439 -8.756 5.298 1.00 0.00 C ATOM 1588 CD PRO A 98 14.761 -9.402 5.008 1.00 0.00 C ATOM 0 HA PRO A 98 13.412 -10.244 2.440 1.00 0.00 H new ATOM 0 HB2 PRO A 98 11.872 -8.269 3.924 1.00 0.00 H new ATOM 0 HB3 PRO A 98 11.978 -9.974 4.316 1.00 0.00 H new ATOM 0 HG2 PRO A 98 13.547 -7.678 5.420 1.00 0.00 H new ATOM 0 HG3 PRO A 98 13.009 -9.140 6.223 1.00 0.00 H new ATOM 0 HD2 PRO A 98 15.578 -8.922 5.546 1.00 0.00 H new ATOM 0 HD3 PRO A 98 14.772 -10.456 5.286 1.00 0.00 H new ATOM 1596 N ARG A 99 13.149 -8.756 0.652 1.00 0.00 N ATOM 1597 CA ARG A 99 12.923 -7.933 -0.522 1.00 0.00 C ATOM 1598 C ARG A 99 11.437 -7.653 -0.706 1.00 0.00 C ATOM 1599 O ARG A 99 10.968 -7.393 -1.813 1.00 0.00 O ATOM 1600 CB ARG A 99 13.509 -8.612 -1.756 1.00 0.00 C ATOM 1601 CG ARG A 99 12.958 -10.008 -1.973 1.00 0.00 C ATOM 1602 CD ARG A 99 13.725 -10.757 -3.045 1.00 0.00 C ATOM 1603 NE ARG A 99 13.110 -12.048 -3.341 1.00 0.00 N ATOM 1604 CZ ARG A 99 12.448 -12.323 -4.462 1.00 0.00 C ATOM 1605 NH1 ARG A 99 12.266 -11.383 -5.379 1.00 0.00 N ATOM 1606 NH2 ARG A 99 11.956 -13.538 -4.654 1.00 0.00 N ATOM 0 H ARG A 99 13.186 -9.756 0.452 1.00 0.00 H new ATOM 0 HA ARG A 99 13.426 -6.976 -0.382 1.00 0.00 H new ATOM 0 HB2 ARG A 99 13.299 -8.002 -2.635 1.00 0.00 H new ATOM 0 HB3 ARG A 99 14.593 -8.665 -1.656 1.00 0.00 H new ATOM 0 HG2 ARG A 99 13.003 -10.566 -1.038 1.00 0.00 H new ATOM 0 HG3 ARG A 99 11.907 -9.944 -2.256 1.00 0.00 H new ATOM 0 HD2 ARG A 99 13.765 -10.155 -3.953 1.00 0.00 H new ATOM 0 HD3 ARG A 99 14.754 -10.909 -2.718 1.00 0.00 H new ATOM 0 HE ARG A 99 13.193 -12.787 -2.643 1.00 0.00 H new ATOM 0 HH11 ARG A 99 12.634 -10.444 -5.227 1.00 0.00 H new ATOM 0 HH12 ARG A 99 11.758 -11.599 -6.237 1.00 0.00 H new ATOM 0 HH21 ARG A 99 12.085 -14.259 -3.944 1.00 0.00 H new ATOM 0 HH22 ARG A 99 11.448 -13.753 -5.512 1.00 0.00 H new ATOM 1620 N LYS A 100 10.689 -7.764 0.377 1.00 0.00 N ATOM 1621 CA LYS A 100 9.287 -7.391 0.375 1.00 0.00 C ATOM 1622 C LYS A 100 8.912 -6.829 1.730 1.00 0.00 C ATOM 1623 O LYS A 100 9.485 -7.212 2.752 1.00 0.00 O ATOM 1624 CB LYS A 100 8.382 -8.582 0.054 1.00 0.00 C ATOM 1625 CG LYS A 100 8.508 -9.725 1.047 1.00 0.00 C ATOM 1626 CD LYS A 100 7.306 -10.664 1.008 1.00 0.00 C ATOM 1627 CE LYS A 100 7.306 -11.580 -0.209 1.00 0.00 C ATOM 1628 NZ LYS A 100 6.834 -10.891 -1.434 1.00 0.00 N ATOM 0 H LYS A 100 11.032 -8.111 1.273 1.00 0.00 H new ATOM 0 HA LYS A 100 9.143 -6.640 -0.401 1.00 0.00 H new ATOM 0 HB2 LYS A 100 7.346 -8.245 0.030 1.00 0.00 H new ATOM 0 HB3 LYS A 100 8.620 -8.950 -0.944 1.00 0.00 H new ATOM 0 HG2 LYS A 100 9.415 -10.291 0.833 1.00 0.00 H new ATOM 0 HG3 LYS A 100 8.616 -9.319 2.053 1.00 0.00 H new ATOM 0 HD2 LYS A 100 7.297 -11.271 1.913 1.00 0.00 H new ATOM 0 HD3 LYS A 100 6.390 -10.073 1.011 1.00 0.00 H new ATOM 0 HE2 LYS A 100 8.314 -11.960 -0.375 1.00 0.00 H new ATOM 0 HE3 LYS A 100 6.669 -12.442 -0.012 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 6.286 -11.556 -2.017 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 6.232 -10.085 -1.169 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 7.652 -10.548 -1.976 1.00 0.00 H new ATOM 1642 N VAL A 101 7.975 -5.909 1.734 1.00 0.00 N ATOM 1643 CA VAL A 101 7.440 -5.385 2.967 1.00 0.00 C ATOM 1644 C VAL A 101 5.920 -5.473 2.939 1.00 0.00 C ATOM 1645 O VAL A 101 5.298 -5.252 1.896 1.00 0.00 O ATOM 1646 CB VAL A 101 7.892 -3.928 3.194 1.00 0.00 C ATOM 1647 CG1 VAL A 101 7.293 -2.994 2.149 1.00 0.00 C ATOM 1648 CG2 VAL A 101 7.556 -3.475 4.604 1.00 0.00 C ATOM 0 H VAL A 101 7.566 -5.507 0.891 1.00 0.00 H new ATOM 0 HA VAL A 101 7.821 -5.982 3.795 1.00 0.00 H new ATOM 0 HB VAL A 101 8.975 -3.888 3.080 1.00 0.00 H new ATOM 0 HG11 VAL A 101 7.630 -1.975 2.336 1.00 0.00 H new ATOM 0 HG12 VAL A 101 7.614 -3.306 1.155 1.00 0.00 H new ATOM 0 HG13 VAL A 101 6.205 -3.033 2.207 1.00 0.00 H new ATOM 0 HG21 VAL A 101 7.883 -2.445 4.743 1.00 0.00 H new ATOM 0 HG22 VAL A 101 6.479 -3.538 4.759 1.00 0.00 H new ATOM 0 HG23 VAL A 101 8.064 -4.117 5.323 1.00 0.00 H new ATOM 1658 N ARG A 102 5.324 -5.827 4.065 1.00 0.00 N ATOM 1659 CA ARG A 102 3.884 -5.928 4.144 1.00 0.00 C ATOM 1660 C ARG A 102 3.343 -4.846 5.042 1.00 0.00 C ATOM 1661 O ARG A 102 3.739 -4.736 6.203 1.00 0.00 O ATOM 1662 CB ARG A 102 3.442 -7.282 4.685 1.00 0.00 C ATOM 1663 CG ARG A 102 1.939 -7.511 4.508 1.00 0.00 C ATOM 1664 CD ARG A 102 1.477 -8.834 5.098 1.00 0.00 C ATOM 1665 NE ARG A 102 1.120 -8.696 6.508 1.00 0.00 N ATOM 1666 CZ ARG A 102 1.148 -9.687 7.392 1.00 0.00 C ATOM 1667 NH1 ARG A 102 1.593 -10.890 7.047 1.00 0.00 N ATOM 1668 NH2 ARG A 102 0.737 -9.461 8.631 1.00 0.00 N ATOM 0 H ARG A 102 5.816 -6.048 4.931 1.00 0.00 H new ATOM 0 HA ARG A 102 3.493 -5.814 3.133 1.00 0.00 H new ATOM 0 HB2 ARG A 102 3.991 -8.073 4.174 1.00 0.00 H new ATOM 0 HB3 ARG A 102 3.696 -7.350 5.743 1.00 0.00 H new ATOM 0 HG2 ARG A 102 1.392 -6.695 4.981 1.00 0.00 H new ATOM 0 HG3 ARG A 102 1.694 -7.485 3.446 1.00 0.00 H new ATOM 0 HD2 ARG A 102 0.617 -9.203 4.538 1.00 0.00 H new ATOM 0 HD3 ARG A 102 2.268 -9.576 4.993 1.00 0.00 H new ATOM 0 HE ARG A 102 0.829 -7.775 6.836 1.00 0.00 H new ATOM 0 HH11 ARG A 102 1.918 -11.060 6.095 1.00 0.00 H new ATOM 0 HH12 ARG A 102 1.610 -11.644 7.734 1.00 0.00 H new ATOM 0 HH21 ARG A 102 0.404 -8.534 8.897 1.00 0.00 H new ATOM 0 HH22 ARG A 102 0.754 -10.214 9.319 1.00 0.00 H new ATOM 1682 N PHE A 103 2.445 -4.049 4.512 1.00 0.00 N ATOM 1683 CA PHE A 103 1.812 -3.015 5.293 1.00 0.00 C ATOM 1684 C PHE A 103 0.338 -3.325 5.478 1.00 0.00 C ATOM 1685 O PHE A 103 -0.459 -3.195 4.548 1.00 0.00 O ATOM 1686 CB PHE A 103 1.991 -1.656 4.628 1.00 0.00 C ATOM 1687 CG PHE A 103 3.424 -1.233 4.479 1.00 0.00 C ATOM 1688 CD1 PHE A 103 4.318 -1.373 5.527 1.00 0.00 C ATOM 1689 CD2 PHE A 103 3.867 -0.669 3.296 1.00 0.00 C ATOM 1690 CE1 PHE A 103 5.628 -0.956 5.397 1.00 0.00 C ATOM 1691 CE2 PHE A 103 5.177 -0.256 3.159 1.00 0.00 C ATOM 1692 CZ PHE A 103 6.057 -0.398 4.212 1.00 0.00 C ATOM 0 H PHE A 103 2.137 -4.098 3.541 1.00 0.00 H new ATOM 0 HA PHE A 103 2.287 -2.982 6.273 1.00 0.00 H new ATOM 0 HB2 PHE A 103 1.526 -1.681 3.642 1.00 0.00 H new ATOM 0 HB3 PHE A 103 1.460 -0.904 5.212 1.00 0.00 H new ATOM 0 HD1 PHE A 103 3.987 -1.813 6.456 1.00 0.00 H new ATOM 0 HD2 PHE A 103 3.180 -0.551 2.471 1.00 0.00 H new ATOM 0 HE1 PHE A 103 6.315 -1.067 6.223 1.00 0.00 H new ATOM 0 HE2 PHE A 103 5.513 0.178 2.229 1.00 0.00 H new ATOM 0 HZ PHE A 103 7.081 -0.072 4.108 1.00 0.00 H new ATOM 1702 N ASP A 104 -0.008 -3.774 6.672 1.00 0.00 N ATOM 1703 CA ASP A 104 -1.397 -4.028 7.018 1.00 0.00 C ATOM 1704 C ASP A 104 -2.106 -2.703 7.251 1.00 0.00 C ATOM 1705 O ASP A 104 -2.189 -2.218 8.378 1.00 0.00 O ATOM 1706 CB ASP A 104 -1.495 -4.910 8.269 1.00 0.00 C ATOM 1707 CG ASP A 104 -0.976 -6.320 8.051 1.00 0.00 C ATOM 1708 OD1 ASP A 104 0.257 -6.499 7.938 1.00 0.00 O ATOM 1709 OD2 ASP A 104 -1.798 -7.258 8.009 1.00 0.00 O ATOM 0 H ASP A 104 0.656 -3.971 7.421 1.00 0.00 H new ATOM 0 HA ASP A 104 -1.876 -4.558 6.195 1.00 0.00 H new ATOM 0 HB2 ASP A 104 -0.933 -4.444 9.078 1.00 0.00 H new ATOM 0 HB3 ASP A 104 -2.535 -4.959 8.590 1.00 0.00 H new ATOM 1714 N TYR A 105 -2.595 -2.111 6.176 1.00 0.00 N ATOM 1715 CA TYR A 105 -3.209 -0.795 6.242 1.00 0.00 C ATOM 1716 C TYR A 105 -4.708 -0.922 6.483 1.00 0.00 C ATOM 1717 O TYR A 105 -5.389 -1.700 5.814 1.00 0.00 O ATOM 1718 CB TYR A 105 -2.926 -0.025 4.948 1.00 0.00 C ATOM 1719 CG TYR A 105 -3.592 1.328 4.879 1.00 0.00 C ATOM 1720 CD1 TYR A 105 -3.208 2.370 5.713 1.00 0.00 C ATOM 1721 CD2 TYR A 105 -4.606 1.558 3.969 1.00 0.00 C ATOM 1722 CE1 TYR A 105 -3.822 3.605 5.632 1.00 0.00 C ATOM 1723 CE2 TYR A 105 -5.224 2.784 3.884 1.00 0.00 C ATOM 1724 CZ TYR A 105 -4.831 3.808 4.716 1.00 0.00 C ATOM 1725 OH TYR A 105 -5.443 5.042 4.627 1.00 0.00 O ATOM 0 H TYR A 105 -2.579 -2.522 5.243 1.00 0.00 H new ATOM 0 HA TYR A 105 -2.779 -0.241 7.076 1.00 0.00 H new ATOM 0 HB2 TYR A 105 -1.849 0.106 4.844 1.00 0.00 H new ATOM 0 HB3 TYR A 105 -3.257 -0.625 4.101 1.00 0.00 H new ATOM 0 HD1 TYR A 105 -2.419 2.213 6.434 1.00 0.00 H new ATOM 0 HD2 TYR A 105 -4.919 0.760 3.312 1.00 0.00 H new ATOM 0 HE1 TYR A 105 -3.512 4.408 6.284 1.00 0.00 H new ATOM 0 HE2 TYR A 105 -6.015 2.943 3.166 1.00 0.00 H new ATOM 0 HH TYR A 105 -6.154 5.007 3.953 1.00 0.00 H new ATOM 1735 N ASP A 106 -5.214 -0.170 7.450 1.00 0.00 N ATOM 1736 CA ASP A 106 -6.622 -0.248 7.804 1.00 0.00 C ATOM 1737 C ASP A 106 -7.463 0.545 6.817 1.00 0.00 C ATOM 1738 O ASP A 106 -7.418 1.781 6.793 1.00 0.00 O ATOM 1739 CB ASP A 106 -6.865 0.271 9.221 1.00 0.00 C ATOM 1740 CG ASP A 106 -8.204 -0.181 9.778 1.00 0.00 C ATOM 1741 OD1 ASP A 106 -8.258 -1.279 10.374 1.00 0.00 O ATOM 1742 OD2 ASP A 106 -9.204 0.550 9.637 1.00 0.00 O ATOM 0 H ASP A 106 -4.673 0.497 8.000 1.00 0.00 H new ATOM 0 HA ASP A 106 -6.916 -1.297 7.765 1.00 0.00 H new ATOM 0 HB2 ASP A 106 -6.066 -0.077 9.875 1.00 0.00 H new ATOM 0 HB3 ASP A 106 -6.824 1.360 9.219 1.00 0.00 H new ATOM 1747 N LEU A 107 -8.207 -0.164 5.987 1.00 0.00 N ATOM 1748 CA LEU A 107 -9.111 0.465 5.050 1.00 0.00 C ATOM 1749 C LEU A 107 -10.406 0.848 5.751 1.00 0.00 C ATOM 1750 O LEU A 107 -11.314 0.030 5.873 1.00 0.00 O ATOM 1751 CB LEU A 107 -9.420 -0.485 3.899 1.00 0.00 C ATOM 1752 CG LEU A 107 -8.822 -0.112 2.551 1.00 0.00 C ATOM 1753 CD1 LEU A 107 -7.317 -0.265 2.567 1.00 0.00 C ATOM 1754 CD2 LEU A 107 -9.430 -0.975 1.472 1.00 0.00 C ATOM 0 H LEU A 107 -8.200 -1.183 5.946 1.00 0.00 H new ATOM 0 HA LEU A 107 -8.634 1.363 4.657 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -9.066 -1.480 4.169 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -10.502 -0.551 3.789 1.00 0.00 H new ATOM 0 HG LEU A 107 -9.049 0.934 2.344 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -6.913 0.008 1.592 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -6.893 0.387 3.331 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -7.059 -1.300 2.790 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -9.001 -0.707 0.507 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -9.221 -2.024 1.684 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -10.508 -0.819 1.446 1.00 0.00 H new ATOM 1766 N PHE A 108 -10.491 2.080 6.222 1.00 0.00 N ATOM 1767 CA PHE A 108 -11.707 2.534 6.892 1.00 0.00 C ATOM 1768 C PHE A 108 -12.529 3.414 5.958 1.00 0.00 C ATOM 1769 O PHE A 108 -11.989 4.243 5.229 1.00 0.00 O ATOM 1770 CB PHE A 108 -11.406 3.269 8.217 1.00 0.00 C ATOM 1771 CG PHE A 108 -10.664 4.578 8.082 1.00 0.00 C ATOM 1772 CD1 PHE A 108 -11.357 5.758 7.852 1.00 0.00 C ATOM 1773 CD2 PHE A 108 -9.282 4.633 8.204 1.00 0.00 C ATOM 1774 CE1 PHE A 108 -10.691 6.962 7.741 1.00 0.00 C ATOM 1775 CE2 PHE A 108 -8.612 5.840 8.096 1.00 0.00 C ATOM 1776 CZ PHE A 108 -9.317 7.004 7.863 1.00 0.00 C ATOM 0 H PHE A 108 -9.749 2.777 6.157 1.00 0.00 H new ATOM 0 HA PHE A 108 -12.289 1.648 7.147 1.00 0.00 H new ATOM 0 HB2 PHE A 108 -12.349 3.458 8.730 1.00 0.00 H new ATOM 0 HB3 PHE A 108 -10.823 2.605 8.856 1.00 0.00 H new ATOM 0 HD1 PHE A 108 -12.433 5.734 7.759 1.00 0.00 H new ATOM 0 HD2 PHE A 108 -8.724 3.726 8.385 1.00 0.00 H new ATOM 0 HE1 PHE A 108 -11.245 7.871 7.559 1.00 0.00 H new ATOM 0 HE2 PHE A 108 -7.537 5.871 8.194 1.00 0.00 H new ATOM 0 HZ PHE A 108 -8.794 7.945 7.776 1.00 0.00 H new ATOM 1786 N LEU A 109 -13.831 3.210 5.954 1.00 0.00 N ATOM 1787 CA LEU A 109 -14.722 3.998 5.118 1.00 0.00 C ATOM 1788 C LEU A 109 -15.642 4.821 6.016 1.00 0.00 C ATOM 1789 O LEU A 109 -16.005 4.375 7.104 1.00 0.00 O ATOM 1790 CB LEU A 109 -15.544 3.077 4.204 1.00 0.00 C ATOM 1791 CG LEU A 109 -14.732 2.027 3.427 1.00 0.00 C ATOM 1792 CD1 LEU A 109 -15.625 1.244 2.479 1.00 0.00 C ATOM 1793 CD2 LEU A 109 -13.600 2.678 2.653 1.00 0.00 C ATOM 0 H LEU A 109 -14.299 2.503 6.521 1.00 0.00 H new ATOM 0 HA LEU A 109 -14.138 4.668 4.486 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -16.288 2.561 4.810 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -16.088 3.694 3.489 1.00 0.00 H new ATOM 0 HG LEU A 109 -14.304 1.337 4.154 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -15.028 0.508 1.941 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -16.402 0.734 3.049 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -16.087 1.927 1.766 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -13.042 1.913 2.113 1.00 0.00 H new ATOM 0 HD22 LEU A 109 -14.010 3.397 1.944 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -12.934 3.192 3.346 1.00 0.00 H new ATOM 1805 N HIS A 110 -15.997 6.020 5.583 1.00 0.00 N ATOM 1806 CA HIS A 110 -16.871 6.885 6.372 1.00 0.00 C ATOM 1807 C HIS A 110 -18.330 6.595 6.010 1.00 0.00 C ATOM 1808 O HIS A 110 -18.606 6.084 4.922 1.00 0.00 O ATOM 1809 CB HIS A 110 -16.509 8.357 6.124 1.00 0.00 C ATOM 1810 CG HIS A 110 -17.009 9.318 7.164 1.00 0.00 C ATOM 1811 ND1 HIS A 110 -16.237 9.739 8.225 1.00 0.00 N ATOM 1812 CD2 HIS A 110 -18.189 9.972 7.281 1.00 0.00 C ATOM 1813 CE1 HIS A 110 -16.920 10.606 8.948 1.00 0.00 C ATOM 1814 NE2 HIS A 110 -18.105 10.766 8.396 1.00 0.00 N ATOM 0 H HIS A 110 -15.697 6.419 4.693 1.00 0.00 H new ATOM 0 HA HIS A 110 -16.736 6.685 7.435 1.00 0.00 H new ATOM 0 HB2 HIS A 110 -15.424 8.443 6.063 1.00 0.00 H new ATOM 0 HB3 HIS A 110 -16.907 8.655 5.154 1.00 0.00 H new ATOM 0 HD2 HIS A 110 -19.038 9.885 6.619 1.00 0.00 H new ATOM 0 HE1 HIS A 110 -16.567 11.101 9.841 1.00 0.00 H new ATOM 0 HE2 HIS A 110 -18.841 11.381 8.742 1.00 0.00 H new ATOM 1823 N LEU A 111 -19.243 6.910 6.926 1.00 0.00 N ATOM 1824 CA LEU A 111 -20.663 6.570 6.784 1.00 0.00 C ATOM 1825 C LEU A 111 -21.260 6.949 5.427 1.00 0.00 C ATOM 1826 O LEU A 111 -21.036 8.045 4.892 1.00 0.00 O ATOM 1827 CB LEU A 111 -21.480 7.217 7.901 1.00 0.00 C ATOM 1828 CG LEU A 111 -22.158 6.228 8.855 1.00 0.00 C ATOM 1829 CD1 LEU A 111 -23.254 5.455 8.140 1.00 0.00 C ATOM 1830 CD2 LEU A 111 -21.139 5.261 9.431 1.00 0.00 C ATOM 0 H LEU A 111 -19.023 7.408 7.789 1.00 0.00 H new ATOM 0 HA LEU A 111 -20.715 5.484 6.855 1.00 0.00 H new ATOM 0 HB2 LEU A 111 -20.826 7.869 8.480 1.00 0.00 H new ATOM 0 HB3 LEU A 111 -22.245 7.851 7.452 1.00 0.00 H new ATOM 0 HG LEU A 111 -22.606 6.798 9.669 1.00 0.00 H new ATOM 0 HD11 LEU A 111 -23.722 4.759 8.836 1.00 0.00 H new ATOM 0 HD12 LEU A 111 -24.004 6.151 7.764 1.00 0.00 H new ATOM 0 HD13 LEU A 111 -22.823 4.900 7.306 1.00 0.00 H new ATOM 0 HD21 LEU A 111 -21.638 4.566 10.106 1.00 0.00 H new ATOM 0 HD22 LEU A 111 -20.667 4.705 8.621 1.00 0.00 H new ATOM 0 HD23 LEU A 111 -20.379 5.817 9.980 1.00 0.00 H new ATOM 1910 N VAL A 117 -13.057 10.744 2.830 1.00 0.00 N ATOM 1911 CA VAL A 117 -11.927 9.993 3.346 1.00 0.00 C ATOM 1912 C VAL A 117 -10.688 10.203 2.493 1.00 0.00 C ATOM 1913 O VAL A 117 -10.696 9.928 1.297 1.00 0.00 O ATOM 1914 CB VAL A 117 -12.248 8.487 3.433 1.00 0.00 C ATOM 1915 CG1 VAL A 117 -10.995 7.678 3.716 1.00 0.00 C ATOM 1916 CG2 VAL A 117 -13.298 8.226 4.499 1.00 0.00 C ATOM 0 HA VAL A 117 -11.728 10.367 4.350 1.00 0.00 H new ATOM 0 HB VAL A 117 -12.645 8.172 2.468 1.00 0.00 H new ATOM 0 HG11 VAL A 117 -11.250 6.620 3.772 1.00 0.00 H new ATOM 0 HG12 VAL A 117 -10.272 7.835 2.915 1.00 0.00 H new ATOM 0 HG13 VAL A 117 -10.562 7.998 4.664 1.00 0.00 H new ATOM 0 HG21 VAL A 117 -13.511 7.158 4.546 1.00 0.00 H new ATOM 0 HG22 VAL A 117 -12.926 8.564 5.466 1.00 0.00 H new ATOM 0 HG23 VAL A 117 -14.211 8.768 4.251 1.00 0.00 H new ATOM 1926 N ASN A 118 -9.644 10.723 3.117 1.00 0.00 N ATOM 1927 CA ASN A 118 -8.348 10.874 2.476 1.00 0.00 C ATOM 1928 C ASN A 118 -7.243 10.681 3.512 1.00 0.00 C ATOM 1929 O ASN A 118 -6.928 11.603 4.267 1.00 0.00 O ATOM 1930 CB ASN A 118 -8.229 12.259 1.837 1.00 0.00 C ATOM 1931 CG ASN A 118 -7.041 12.372 0.891 1.00 0.00 C ATOM 1932 OD1 ASN A 118 -7.206 12.345 -0.325 1.00 0.00 O ATOM 1933 ND2 ASN A 118 -5.832 12.467 1.430 1.00 0.00 N ATOM 0 H ASN A 118 -9.671 11.052 4.082 1.00 0.00 H new ATOM 0 HA ASN A 118 -8.248 10.122 1.694 1.00 0.00 H new ATOM 0 HB2 ASN A 118 -9.145 12.482 1.290 1.00 0.00 H new ATOM 0 HB3 ASN A 118 -8.135 13.009 2.622 1.00 0.00 H new ATOM 0 HD21 ASN A 118 -5.009 12.520 0.830 1.00 0.00 H new ATOM 0 HD22 ASN A 118 -5.726 12.487 2.444 1.00 0.00 H new ATOM 1940 N HIS A 119 -6.663 9.490 3.567 1.00 0.00 N ATOM 1941 CA HIS A 119 -5.640 9.197 4.567 1.00 0.00 C ATOM 1942 C HIS A 119 -4.353 8.714 3.911 1.00 0.00 C ATOM 1943 O HIS A 119 -4.381 7.868 3.021 1.00 0.00 O ATOM 1944 CB HIS A 119 -6.139 8.135 5.547 1.00 0.00 C ATOM 1945 CG HIS A 119 -5.297 7.987 6.785 1.00 0.00 C ATOM 1946 ND1 HIS A 119 -5.090 6.775 7.416 1.00 0.00 N ATOM 1947 CD2 HIS A 119 -4.611 8.904 7.511 1.00 0.00 C ATOM 1948 CE1 HIS A 119 -4.317 6.957 8.469 1.00 0.00 C ATOM 1949 NE2 HIS A 119 -4.013 8.236 8.549 1.00 0.00 N ATOM 0 H HIS A 119 -6.879 8.716 2.938 1.00 0.00 H new ATOM 0 HA HIS A 119 -5.433 10.121 5.107 1.00 0.00 H new ATOM 0 HB2 HIS A 119 -7.159 8.382 5.843 1.00 0.00 H new ATOM 0 HB3 HIS A 119 -6.180 7.175 5.033 1.00 0.00 H new ATOM 0 HD2 HIS A 119 -4.547 9.963 7.309 1.00 0.00 H new ATOM 0 HE1 HIS A 119 -3.989 6.187 9.151 1.00 0.00 H new ATOM 0 HE2 HIS A 119 -3.427 8.661 9.267 1.00 0.00 H new ATOM 1958 N LEU A 120 -3.241 9.254 4.380 1.00 0.00 N ATOM 1959 CA LEU A 120 -1.906 8.863 3.934 1.00 0.00 C ATOM 1960 C LEU A 120 -0.942 8.878 5.122 1.00 0.00 C ATOM 1961 O LEU A 120 -0.822 9.885 5.821 1.00 0.00 O ATOM 1962 CB LEU A 120 -1.407 9.798 2.819 1.00 0.00 C ATOM 1963 CG LEU A 120 -1.793 9.390 1.398 1.00 0.00 C ATOM 1964 CD1 LEU A 120 -1.533 10.526 0.427 1.00 0.00 C ATOM 1965 CD2 LEU A 120 -0.991 8.176 0.972 1.00 0.00 C ATOM 0 H LEU A 120 -3.235 9.986 5.090 1.00 0.00 H new ATOM 0 HA LEU A 120 -1.952 7.853 3.527 1.00 0.00 H new ATOM 0 HB2 LEU A 120 -1.793 10.800 3.009 1.00 0.00 H new ATOM 0 HB3 LEU A 120 -0.320 9.859 2.879 1.00 0.00 H new ATOM 0 HG LEU A 120 -2.856 9.150 1.388 1.00 0.00 H new ATOM 0 HD11 LEU A 120 -1.814 10.216 -0.579 1.00 0.00 H new ATOM 0 HD12 LEU A 120 -2.123 11.395 0.717 1.00 0.00 H new ATOM 0 HD13 LEU A 120 -0.474 10.784 0.444 1.00 0.00 H new ATOM 0 HD21 LEU A 120 -1.272 7.892 -0.042 1.00 0.00 H new ATOM 0 HD22 LEU A 120 0.072 8.414 1.000 1.00 0.00 H new ATOM 0 HD23 LEU A 120 -1.196 7.348 1.651 1.00 0.00 H new ATOM 1977 N ARG A 121 -0.277 7.752 5.357 1.00 0.00 N ATOM 1978 CA ARG A 121 0.607 7.605 6.512 1.00 0.00 C ATOM 1979 C ARG A 121 1.981 7.101 6.092 1.00 0.00 C ATOM 1980 O ARG A 121 2.134 6.497 5.031 1.00 0.00 O ATOM 1981 CB ARG A 121 -0.022 6.676 7.560 1.00 0.00 C ATOM 1982 CG ARG A 121 -0.492 5.324 7.027 1.00 0.00 C ATOM 1983 CD ARG A 121 0.603 4.261 7.073 1.00 0.00 C ATOM 1984 NE ARG A 121 1.242 4.196 8.389 1.00 0.00 N ATOM 1985 CZ ARG A 121 1.428 3.065 9.074 1.00 0.00 C ATOM 1986 NH1 ARG A 121 1.033 1.904 8.571 1.00 0.00 N ATOM 1987 NH2 ARG A 121 2.003 3.098 10.267 1.00 0.00 N ATOM 0 H ARG A 121 -0.332 6.925 4.763 1.00 0.00 H new ATOM 0 HA ARG A 121 0.739 8.588 6.963 1.00 0.00 H new ATOM 0 HB2 ARG A 121 0.705 6.504 8.354 1.00 0.00 H new ATOM 0 HB3 ARG A 121 -0.872 7.187 8.012 1.00 0.00 H new ATOM 0 HG2 ARG A 121 -1.347 4.985 7.612 1.00 0.00 H new ATOM 0 HG3 ARG A 121 -0.835 5.442 5.999 1.00 0.00 H new ATOM 0 HD2 ARG A 121 0.176 3.289 6.828 1.00 0.00 H new ATOM 0 HD3 ARG A 121 1.354 4.480 6.314 1.00 0.00 H new ATOM 0 HE ARG A 121 1.565 5.068 8.808 1.00 0.00 H new ATOM 0 HH11 ARG A 121 0.584 1.871 7.656 1.00 0.00 H new ATOM 0 HH12 ARG A 121 1.178 1.044 9.099 1.00 0.00 H new ATOM 0 HH21 ARG A 121 2.304 3.988 10.663 1.00 0.00 H new ATOM 0 HH22 ARG A 121 2.144 2.233 10.789 1.00 0.00 H new ATOM 2001 N CYS A 122 2.970 7.334 6.938 1.00 0.00 N ATOM 2002 CA CYS A 122 4.355 7.079 6.585 1.00 0.00 C ATOM 2003 C CYS A 122 4.924 5.861 7.306 1.00 0.00 C ATOM 2004 O CYS A 122 4.736 5.692 8.510 1.00 0.00 O ATOM 2005 CB CYS A 122 5.189 8.315 6.907 1.00 0.00 C ATOM 2006 SG CYS A 122 5.015 8.897 8.608 1.00 0.00 S ATOM 0 H CYS A 122 2.837 7.702 7.880 1.00 0.00 H new ATOM 0 HA CYS A 122 4.394 6.863 5.517 1.00 0.00 H new ATOM 0 HB2 CYS A 122 6.239 8.092 6.716 1.00 0.00 H new ATOM 0 HB3 CYS A 122 4.905 9.119 6.228 1.00 0.00 H new ATOM 0 HG CYS A 122 4.794 7.884 9.393 1.00 0.00 H new ATOM 2012 N GLU A 123 5.600 5.009 6.549 1.00 0.00 N ATOM 2013 CA GLU A 123 6.352 3.898 7.105 1.00 0.00 C ATOM 2014 C GLU A 123 7.837 4.118 6.876 1.00 0.00 C ATOM 2015 O GLU A 123 8.234 4.771 5.910 1.00 0.00 O ATOM 2016 CB GLU A 123 5.915 2.586 6.464 1.00 0.00 C ATOM 2017 CG GLU A 123 4.511 2.182 6.854 1.00 0.00 C ATOM 2018 CD GLU A 123 4.464 1.459 8.186 1.00 0.00 C ATOM 2019 OE1 GLU A 123 4.766 2.085 9.223 1.00 0.00 O ATOM 2020 OE2 GLU A 123 4.133 0.258 8.206 1.00 0.00 O ATOM 0 H GLU A 123 5.641 5.070 5.532 1.00 0.00 H new ATOM 0 HA GLU A 123 6.157 3.843 8.176 1.00 0.00 H new ATOM 0 HB2 GLU A 123 5.973 2.680 5.380 1.00 0.00 H new ATOM 0 HB3 GLU A 123 6.609 1.797 6.753 1.00 0.00 H new ATOM 0 HG2 GLU A 123 3.881 3.070 6.904 1.00 0.00 H new ATOM 0 HG3 GLU A 123 4.093 1.538 6.080 1.00 0.00 H new ATOM 2027 N LYS A 124 8.645 3.573 7.759 1.00 0.00 N ATOM 2028 CA LYS A 124 10.076 3.780 7.715 1.00 0.00 C ATOM 2029 C LYS A 124 10.806 2.449 7.781 1.00 0.00 C ATOM 2030 O LYS A 124 10.592 1.663 8.705 1.00 0.00 O ATOM 2031 CB LYS A 124 10.492 4.656 8.889 1.00 0.00 C ATOM 2032 CG LYS A 124 11.982 4.933 8.957 1.00 0.00 C ATOM 2033 CD LYS A 124 12.329 5.713 10.192 1.00 0.00 C ATOM 2034 CE LYS A 124 11.963 7.159 9.995 1.00 0.00 C ATOM 2035 NZ LYS A 124 11.600 7.827 11.270 1.00 0.00 N ATOM 0 H LYS A 124 8.331 2.977 8.524 1.00 0.00 H new ATOM 0 HA LYS A 124 10.337 4.272 6.778 1.00 0.00 H new ATOM 0 HB2 LYS A 124 9.959 5.605 8.827 1.00 0.00 H new ATOM 0 HB3 LYS A 124 10.180 4.175 9.816 1.00 0.00 H new ATOM 0 HG2 LYS A 124 12.531 3.991 8.951 1.00 0.00 H new ATOM 0 HG3 LYS A 124 12.293 5.489 8.072 1.00 0.00 H new ATOM 0 HD2 LYS A 124 11.797 5.307 11.052 1.00 0.00 H new ATOM 0 HD3 LYS A 124 13.394 5.623 10.404 1.00 0.00 H new ATOM 0 HE2 LYS A 124 12.801 7.685 9.538 1.00 0.00 H new ATOM 0 HE3 LYS A 124 11.126 7.228 9.300 1.00 0.00 H new ATOM 0 HZ1 LYS A 124 11.356 8.821 11.084 1.00 0.00 H new ATOM 0 HZ2 LYS A 124 10.783 7.343 11.695 1.00 0.00 H new ATOM 0 HZ3 LYS A 124 12.406 7.786 11.925 1.00 0.00 H new ATOM 2049 N LEU A 125 11.659 2.192 6.803 1.00 0.00 N ATOM 2050 CA LEU A 125 12.436 0.966 6.789 1.00 0.00 C ATOM 2051 C LEU A 125 13.924 1.294 6.838 1.00 0.00 C ATOM 2052 O LEU A 125 14.516 1.672 5.825 1.00 0.00 O ATOM 2053 CB LEU A 125 12.118 0.166 5.527 1.00 0.00 C ATOM 2054 CG LEU A 125 10.625 -0.015 5.227 1.00 0.00 C ATOM 2055 CD1 LEU A 125 10.361 0.024 3.729 1.00 0.00 C ATOM 2056 CD2 LEU A 125 10.126 -1.328 5.810 1.00 0.00 C ATOM 0 H LEU A 125 11.830 2.813 6.012 1.00 0.00 H new ATOM 0 HA LEU A 125 12.177 0.369 7.663 1.00 0.00 H new ATOM 0 HB2 LEU A 125 12.586 0.660 4.676 1.00 0.00 H new ATOM 0 HB3 LEU A 125 12.576 -0.819 5.615 1.00 0.00 H new ATOM 0 HG LEU A 125 10.084 0.810 5.692 1.00 0.00 H new ATOM 0 HD11 LEU A 125 9.295 -0.107 3.544 1.00 0.00 H new ATOM 0 HD12 LEU A 125 10.684 0.985 3.328 1.00 0.00 H new ATOM 0 HD13 LEU A 125 10.915 -0.778 3.241 1.00 0.00 H new ATOM 0 HD21 LEU A 125 9.065 -1.444 5.590 1.00 0.00 H new ATOM 0 HD22 LEU A 125 10.681 -2.156 5.369 1.00 0.00 H new ATOM 0 HD23 LEU A 125 10.274 -1.326 6.890 1.00 0.00 H new ATOM 2068 N THR A 126 14.514 1.188 8.017 1.00 0.00 N ATOM 2069 CA THR A 126 15.941 1.414 8.177 1.00 0.00 C ATOM 2070 C THR A 126 16.701 0.110 7.974 1.00 0.00 C ATOM 2071 O THR A 126 16.493 -0.859 8.705 1.00 0.00 O ATOM 2072 CB THR A 126 16.279 1.967 9.571 1.00 0.00 C ATOM 2073 OG1 THR A 126 15.228 2.831 10.027 1.00 0.00 O ATOM 2074 CG2 THR A 126 17.579 2.742 9.527 1.00 0.00 C ATOM 0 H THR A 126 14.026 0.946 8.879 1.00 0.00 H new ATOM 0 HA THR A 126 16.237 2.149 7.429 1.00 0.00 H new ATOM 0 HB THR A 126 16.383 1.128 10.259 1.00 0.00 H new ATOM 0 HG1 THR A 126 15.452 3.177 10.916 1.00 0.00 H new ATOM 0 HG21 THR A 126 17.806 3.128 10.521 1.00 0.00 H new ATOM 0 HG22 THR A 126 18.384 2.084 9.200 1.00 0.00 H new ATOM 0 HG23 THR A 126 17.484 3.573 8.828 1.00 0.00 H new ATOM 2082 N PHE A 127 17.557 0.080 6.969 1.00 0.00 N ATOM 2083 CA PHE A 127 18.380 -1.089 6.706 1.00 0.00 C ATOM 2084 C PHE A 127 19.790 -0.845 7.203 1.00 0.00 C ATOM 2085 O PHE A 127 20.529 -0.046 6.628 1.00 0.00 O ATOM 2086 CB PHE A 127 18.382 -1.410 5.211 1.00 0.00 C ATOM 2087 CG PHE A 127 17.006 -1.659 4.678 1.00 0.00 C ATOM 2088 CD1 PHE A 127 16.444 -2.922 4.735 1.00 0.00 C ATOM 2089 CD2 PHE A 127 16.266 -0.620 4.145 1.00 0.00 C ATOM 2090 CE1 PHE A 127 15.163 -3.144 4.272 1.00 0.00 C ATOM 2091 CE2 PHE A 127 14.991 -0.834 3.675 1.00 0.00 C ATOM 2092 CZ PHE A 127 14.434 -2.096 3.739 1.00 0.00 C ATOM 0 H PHE A 127 17.701 0.853 6.319 1.00 0.00 H new ATOM 0 HA PHE A 127 17.965 -1.945 7.237 1.00 0.00 H new ATOM 0 HB2 PHE A 127 18.836 -0.583 4.665 1.00 0.00 H new ATOM 0 HB3 PHE A 127 19.002 -2.288 5.032 1.00 0.00 H new ATOM 0 HD1 PHE A 127 17.014 -3.742 5.146 1.00 0.00 H new ATOM 0 HD2 PHE A 127 16.694 0.371 4.097 1.00 0.00 H new ATOM 0 HE1 PHE A 127 14.731 -4.132 4.326 1.00 0.00 H new ATOM 0 HE2 PHE A 127 14.426 -0.015 3.256 1.00 0.00 H new ATOM 0 HZ PHE A 127 13.432 -2.264 3.374 1.00 0.00 H new ATOM 2102 N ASN A 128 20.159 -1.533 8.273 1.00 0.00 N ATOM 2103 CA ASN A 128 21.452 -1.288 8.912 1.00 0.00 C ATOM 2104 C ASN A 128 22.571 -1.921 8.103 1.00 0.00 C ATOM 2105 O ASN A 128 22.622 -3.143 7.944 1.00 0.00 O ATOM 2106 CB ASN A 128 21.481 -1.791 10.372 1.00 0.00 C ATOM 2107 CG ASN A 128 22.891 -2.060 10.875 1.00 0.00 C ATOM 2108 OD1 ASN A 128 23.597 -1.142 11.289 1.00 0.00 O ATOM 2109 ND2 ASN A 128 23.304 -3.320 10.869 1.00 0.00 N ATOM 0 H ASN A 128 19.593 -2.257 8.716 1.00 0.00 H new ATOM 0 HA ASN A 128 21.604 -0.209 8.941 1.00 0.00 H new ATOM 0 HB2 ASN A 128 21.005 -1.051 11.016 1.00 0.00 H new ATOM 0 HB3 ASN A 128 20.892 -2.705 10.448 1.00 0.00 H new ATOM 0 HD21 ASN A 128 24.235 -3.553 11.215 1.00 0.00 H new ATOM 0 HD22 ASN A 128 22.691 -4.056 10.518 1.00 0.00 H new ATOM 2116 N ASN A 129 23.457 -1.066 7.591 1.00 0.00 N ATOM 2117 CA ASN A 129 24.618 -1.497 6.814 1.00 0.00 C ATOM 2118 C ASN A 129 24.238 -2.481 5.712 1.00 0.00 C ATOM 2119 O ASN A 129 24.483 -3.684 5.830 1.00 0.00 O ATOM 2120 CB ASN A 129 25.686 -2.098 7.729 1.00 0.00 C ATOM 2121 CG ASN A 129 26.462 -1.030 8.473 1.00 0.00 C ATOM 2122 OD1 ASN A 129 27.470 -0.529 7.978 1.00 0.00 O ATOM 2123 ND2 ASN A 129 26.005 -0.670 9.663 1.00 0.00 N ATOM 0 H ASN A 129 23.389 -0.055 7.704 1.00 0.00 H new ATOM 0 HA ASN A 129 25.029 -0.612 6.329 1.00 0.00 H new ATOM 0 HB2 ASN A 129 25.213 -2.769 8.446 1.00 0.00 H new ATOM 0 HB3 ASN A 129 26.375 -2.700 7.136 1.00 0.00 H new ATOM 0 HD21 ASN A 129 26.493 0.046 10.202 1.00 0.00 H new ATOM 0 HD22 ASN A 129 25.165 -1.108 10.041 1.00 0.00 H new ATOM 2130 N PRO A 130 23.629 -1.985 4.627 1.00 0.00 N ATOM 2131 CA PRO A 130 23.265 -2.811 3.486 1.00 0.00 C ATOM 2132 C PRO A 130 24.424 -2.953 2.505 1.00 0.00 C ATOM 2133 O PRO A 130 25.377 -2.172 2.539 1.00 0.00 O ATOM 2134 CB PRO A 130 22.114 -2.025 2.859 1.00 0.00 C ATOM 2135 CG PRO A 130 22.410 -0.593 3.165 1.00 0.00 C ATOM 2136 CD PRO A 130 23.252 -0.573 4.419 1.00 0.00 C ATOM 0 HA PRO A 130 23.000 -3.831 3.764 1.00 0.00 H new ATOM 0 HB2 PRO A 130 22.060 -2.195 1.784 1.00 0.00 H new ATOM 0 HB3 PRO A 130 21.155 -2.328 3.279 1.00 0.00 H new ATOM 0 HG2 PRO A 130 22.941 -0.124 2.337 1.00 0.00 H new ATOM 0 HG3 PRO A 130 21.487 -0.031 3.311 1.00 0.00 H new ATOM 0 HD2 PRO A 130 24.131 0.060 4.298 1.00 0.00 H new ATOM 0 HD3 PRO A 130 22.692 -0.181 5.268 1.00 0.00 H new ATOM 2144 N THR A 131 24.342 -3.952 1.639 1.00 0.00 N ATOM 2145 CA THR A 131 25.367 -4.165 0.627 1.00 0.00 C ATOM 2146 C THR A 131 25.302 -3.041 -0.411 1.00 0.00 C ATOM 2147 O THR A 131 24.257 -2.395 -0.547 1.00 0.00 O ATOM 2148 CB THR A 131 25.212 -5.546 -0.064 1.00 0.00 C ATOM 2149 OG1 THR A 131 26.291 -5.776 -0.979 1.00 0.00 O ATOM 2150 CG2 THR A 131 23.887 -5.642 -0.808 1.00 0.00 C ATOM 0 H THR A 131 23.578 -4.627 1.616 1.00 0.00 H new ATOM 0 HA THR A 131 26.340 -4.154 1.119 1.00 0.00 H new ATOM 0 HB THR A 131 25.232 -6.308 0.715 1.00 0.00 H new ATOM 0 HG1 THR A 131 26.178 -6.652 -1.404 1.00 0.00 H new ATOM 0 HG21 THR A 131 23.806 -6.620 -1.282 1.00 0.00 H new ATOM 0 HG22 THR A 131 23.065 -5.510 -0.105 1.00 0.00 H new ATOM 0 HG23 THR A 131 23.841 -4.864 -1.570 1.00 0.00 H new ATOM 2158 N GLU A 132 26.405 -2.798 -1.122 1.00 0.00 N ATOM 2159 CA GLU A 132 26.492 -1.664 -2.051 1.00 0.00 C ATOM 2160 C GLU A 132 25.298 -1.626 -2.998 1.00 0.00 C ATOM 2161 O GLU A 132 24.694 -0.578 -3.179 1.00 0.00 O ATOM 2162 CB GLU A 132 27.781 -1.705 -2.872 1.00 0.00 C ATOM 2163 CG GLU A 132 28.015 -0.435 -3.675 1.00 0.00 C ATOM 2164 CD GLU A 132 28.213 0.789 -2.801 1.00 0.00 C ATOM 2165 OE1 GLU A 132 27.212 1.340 -2.296 1.00 0.00 O ATOM 2166 OE2 GLU A 132 29.374 1.208 -2.616 1.00 0.00 O ATOM 0 H GLU A 132 27.249 -3.368 -1.074 1.00 0.00 H new ATOM 0 HA GLU A 132 26.491 -0.762 -1.439 1.00 0.00 H new ATOM 0 HB2 GLU A 132 28.626 -1.866 -2.203 1.00 0.00 H new ATOM 0 HB3 GLU A 132 27.745 -2.557 -3.552 1.00 0.00 H new ATOM 0 HG2 GLU A 132 28.892 -0.568 -4.309 1.00 0.00 H new ATOM 0 HG3 GLU A 132 27.166 -0.268 -4.337 1.00 0.00 H new ATOM 2173 N ASP A 133 24.954 -2.776 -3.573 1.00 0.00 N ATOM 2174 CA ASP A 133 23.852 -2.864 -4.534 1.00 0.00 C ATOM 2175 C ASP A 133 22.570 -2.282 -3.953 1.00 0.00 C ATOM 2176 O ASP A 133 21.904 -1.446 -4.578 1.00 0.00 O ATOM 2177 CB ASP A 133 23.604 -4.319 -4.940 1.00 0.00 C ATOM 2178 CG ASP A 133 24.764 -4.926 -5.697 1.00 0.00 C ATOM 2179 OD1 ASP A 133 25.737 -5.364 -5.049 1.00 0.00 O ATOM 2180 OD2 ASP A 133 24.702 -4.981 -6.944 1.00 0.00 O ATOM 0 H ASP A 133 25.423 -3.663 -3.391 1.00 0.00 H new ATOM 0 HA ASP A 133 24.138 -2.286 -5.413 1.00 0.00 H new ATOM 0 HB2 ASP A 133 23.410 -4.912 -4.046 1.00 0.00 H new ATOM 0 HB3 ASP A 133 22.707 -4.371 -5.557 1.00 0.00 H new ATOM 2185 N PHE A 134 22.238 -2.708 -2.740 1.00 0.00 N ATOM 2186 CA PHE A 134 21.017 -2.265 -2.099 1.00 0.00 C ATOM 2187 C PHE A 134 21.121 -0.794 -1.735 1.00 0.00 C ATOM 2188 O PHE A 134 20.251 0.003 -2.081 1.00 0.00 O ATOM 2189 CB PHE A 134 20.713 -3.083 -0.841 1.00 0.00 C ATOM 2190 CG PHE A 134 19.279 -2.935 -0.413 1.00 0.00 C ATOM 2191 CD1 PHE A 134 18.279 -2.867 -1.367 1.00 0.00 C ATOM 2192 CD2 PHE A 134 18.927 -2.849 0.923 1.00 0.00 C ATOM 2193 CE1 PHE A 134 16.966 -2.719 -1.004 1.00 0.00 C ATOM 2194 CE2 PHE A 134 17.605 -2.702 1.293 1.00 0.00 C ATOM 2195 CZ PHE A 134 16.624 -2.637 0.325 1.00 0.00 C ATOM 0 H PHE A 134 22.798 -3.357 -2.187 1.00 0.00 H new ATOM 0 HA PHE A 134 20.201 -2.412 -2.807 1.00 0.00 H new ATOM 0 HB2 PHE A 134 20.930 -4.134 -1.030 1.00 0.00 H new ATOM 0 HB3 PHE A 134 21.369 -2.763 -0.032 1.00 0.00 H new ATOM 0 HD1 PHE A 134 18.537 -2.932 -2.414 1.00 0.00 H new ATOM 0 HD2 PHE A 134 19.693 -2.897 1.683 1.00 0.00 H new ATOM 0 HE1 PHE A 134 16.199 -2.667 -1.763 1.00 0.00 H new ATOM 0 HE2 PHE A 134 17.339 -2.638 2.338 1.00 0.00 H new ATOM 0 HZ PHE A 134 15.589 -2.522 0.611 1.00 0.00 H new ATOM 2205 N ARG A 135 22.210 -0.450 -1.057 1.00 0.00 N ATOM 2206 CA ARG A 135 22.462 0.921 -0.639 1.00 0.00 C ATOM 2207 C ARG A 135 22.397 1.871 -1.830 1.00 0.00 C ATOM 2208 O ARG A 135 21.779 2.929 -1.762 1.00 0.00 O ATOM 2209 CB ARG A 135 23.833 1.016 0.022 1.00 0.00 C ATOM 2210 CG ARG A 135 24.227 2.434 0.350 1.00 0.00 C ATOM 2211 CD ARG A 135 25.701 2.545 0.740 1.00 0.00 C ATOM 2212 NE ARG A 135 26.122 1.517 1.695 1.00 0.00 N ATOM 2213 CZ ARG A 135 27.176 0.721 1.499 1.00 0.00 C ATOM 2214 NH1 ARG A 135 27.811 0.729 0.335 1.00 0.00 N ATOM 2215 NH2 ARG A 135 27.579 -0.107 2.451 1.00 0.00 N ATOM 0 H ARG A 135 22.938 -1.110 -0.784 1.00 0.00 H new ATOM 0 HA ARG A 135 21.692 1.210 0.076 1.00 0.00 H new ATOM 0 HB2 ARG A 135 23.832 0.423 0.937 1.00 0.00 H new ATOM 0 HB3 ARG A 135 24.581 0.580 -0.640 1.00 0.00 H new ATOM 0 HG2 ARG A 135 24.031 3.073 -0.511 1.00 0.00 H new ATOM 0 HG3 ARG A 135 23.607 2.802 1.168 1.00 0.00 H new ATOM 0 HD2 ARG A 135 26.315 2.471 -0.158 1.00 0.00 H new ATOM 0 HD3 ARG A 135 25.883 3.529 1.171 1.00 0.00 H new ATOM 0 HE ARG A 135 25.583 1.404 2.553 1.00 0.00 H new ATOM 0 HH11 ARG A 135 27.495 1.345 -0.414 1.00 0.00 H new ATOM 0 HH12 ARG A 135 28.616 0.120 0.189 1.00 0.00 H new ATOM 0 HH21 ARG A 135 27.083 -0.140 3.342 1.00 0.00 H new ATOM 0 HH22 ARG A 135 28.385 -0.712 2.293 1.00 0.00 H new ATOM 2229 N ARG A 136 23.047 1.465 -2.908 1.00 0.00 N ATOM 2230 CA ARG A 136 23.055 2.184 -4.169 1.00 0.00 C ATOM 2231 C ARG A 136 21.659 2.634 -4.571 1.00 0.00 C ATOM 2232 O ARG A 136 21.422 3.814 -4.827 1.00 0.00 O ATOM 2233 CB ARG A 136 23.592 1.264 -5.229 1.00 0.00 C ATOM 2234 CG ARG A 136 24.732 1.826 -6.047 1.00 0.00 C ATOM 2235 CD ARG A 136 25.239 0.788 -7.030 1.00 0.00 C ATOM 2236 NE ARG A 136 26.489 1.195 -7.666 1.00 0.00 N ATOM 2237 CZ ARG A 136 26.932 0.707 -8.822 1.00 0.00 C ATOM 2238 NH1 ARG A 136 26.230 -0.217 -9.474 1.00 0.00 N ATOM 2239 NH2 ARG A 136 28.082 1.138 -9.323 1.00 0.00 N ATOM 0 H ARG A 136 23.596 0.606 -2.930 1.00 0.00 H new ATOM 0 HA ARG A 136 23.675 3.073 -4.058 1.00 0.00 H new ATOM 0 HB2 ARG A 136 23.927 0.342 -4.753 1.00 0.00 H new ATOM 0 HB3 ARG A 136 22.778 0.997 -5.903 1.00 0.00 H new ATOM 0 HG2 ARG A 136 24.399 2.714 -6.585 1.00 0.00 H new ATOM 0 HG3 ARG A 136 25.542 2.138 -5.388 1.00 0.00 H new ATOM 0 HD2 ARG A 136 25.389 -0.159 -6.511 1.00 0.00 H new ATOM 0 HD3 ARG A 136 24.483 0.616 -7.796 1.00 0.00 H new ATOM 0 HE ARG A 136 27.058 1.898 -7.194 1.00 0.00 H new ATOM 0 HH11 ARG A 136 25.348 -0.554 -9.088 1.00 0.00 H new ATOM 0 HH12 ARG A 136 26.574 -0.588 -10.360 1.00 0.00 H new ATOM 0 HH21 ARG A 136 28.625 1.842 -8.822 1.00 0.00 H new ATOM 0 HH22 ARG A 136 28.424 0.766 -10.209 1.00 0.00 H new ATOM 2253 N LYS A 137 20.739 1.682 -4.622 1.00 0.00 N ATOM 2254 CA LYS A 137 19.374 1.976 -5.043 1.00 0.00 C ATOM 2255 C LYS A 137 18.643 2.820 -4.004 1.00 0.00 C ATOM 2256 O LYS A 137 17.934 3.770 -4.351 1.00 0.00 O ATOM 2257 CB LYS A 137 18.606 0.684 -5.328 1.00 0.00 C ATOM 2258 CG LYS A 137 19.036 0.009 -6.630 1.00 0.00 C ATOM 2259 CD LYS A 137 18.266 -1.271 -6.905 1.00 0.00 C ATOM 2260 CE LYS A 137 19.028 -2.478 -6.389 1.00 0.00 C ATOM 2261 NZ LYS A 137 18.318 -3.755 -6.638 1.00 0.00 N ATOM 0 H LYS A 137 20.909 0.706 -4.379 1.00 0.00 H new ATOM 0 HA LYS A 137 19.427 2.556 -5.965 1.00 0.00 H new ATOM 0 HB2 LYS A 137 18.753 -0.010 -4.500 1.00 0.00 H new ATOM 0 HB3 LYS A 137 17.540 0.904 -5.374 1.00 0.00 H new ATOM 0 HG2 LYS A 137 18.891 0.701 -7.459 1.00 0.00 H new ATOM 0 HG3 LYS A 137 20.102 -0.215 -6.584 1.00 0.00 H new ATOM 0 HD2 LYS A 137 17.287 -1.222 -6.428 1.00 0.00 H new ATOM 0 HD3 LYS A 137 18.094 -1.374 -7.976 1.00 0.00 H new ATOM 0 HE2 LYS A 137 20.008 -2.514 -6.865 1.00 0.00 H new ATOM 0 HE3 LYS A 137 19.197 -2.365 -5.318 1.00 0.00 H new ATOM 0 HZ1 LYS A 137 19.010 -4.500 -6.856 1.00 0.00 H new ATOM 0 HZ2 LYS A 137 17.777 -4.022 -5.791 1.00 0.00 H new ATOM 0 HZ3 LYS A 137 17.668 -3.640 -7.442 1.00 0.00 H new ATOM 2275 N LEU A 138 18.827 2.476 -2.737 1.00 0.00 N ATOM 2276 CA LEU A 138 18.241 3.239 -1.630 1.00 0.00 C ATOM 2277 C LEU A 138 18.661 4.714 -1.679 1.00 0.00 C ATOM 2278 O LEU A 138 17.880 5.606 -1.335 1.00 0.00 O ATOM 2279 CB LEU A 138 18.658 2.648 -0.281 1.00 0.00 C ATOM 2280 CG LEU A 138 18.373 1.160 -0.073 1.00 0.00 C ATOM 2281 CD1 LEU A 138 18.587 0.780 1.383 1.00 0.00 C ATOM 2282 CD2 LEU A 138 16.967 0.804 -0.517 1.00 0.00 C ATOM 0 H LEU A 138 19.379 1.670 -2.443 1.00 0.00 H new ATOM 0 HA LEU A 138 17.158 3.176 -1.738 1.00 0.00 H new ATOM 0 HB2 LEU A 138 19.728 2.812 -0.152 1.00 0.00 H new ATOM 0 HB3 LEU A 138 18.153 3.206 0.507 1.00 0.00 H new ATOM 0 HG LEU A 138 19.071 0.592 -0.689 1.00 0.00 H new ATOM 0 HD11 LEU A 138 18.380 -0.282 1.516 1.00 0.00 H new ATOM 0 HD12 LEU A 138 19.619 0.987 1.665 1.00 0.00 H new ATOM 0 HD13 LEU A 138 17.915 1.362 2.014 1.00 0.00 H new ATOM 0 HD21 LEU A 138 16.793 -0.260 -0.357 1.00 0.00 H new ATOM 0 HD22 LEU A 138 16.246 1.380 0.062 1.00 0.00 H new ATOM 0 HD23 LEU A 138 16.850 1.036 -1.576 1.00 0.00 H new ATOM 2294 N LEU A 139 19.899 4.958 -2.093 1.00 0.00 N ATOM 2295 CA LEU A 139 20.447 6.309 -2.166 1.00 0.00 C ATOM 2296 C LEU A 139 19.974 7.046 -3.418 1.00 0.00 C ATOM 2297 O LEU A 139 19.819 8.268 -3.407 1.00 0.00 O ATOM 2298 CB LEU A 139 21.975 6.245 -2.139 1.00 0.00 C ATOM 2299 CG LEU A 139 22.567 5.675 -0.853 1.00 0.00 C ATOM 2300 CD1 LEU A 139 24.077 5.565 -0.948 1.00 0.00 C ATOM 2301 CD2 LEU A 139 22.157 6.527 0.331 1.00 0.00 C ATOM 0 H LEU A 139 20.549 4.229 -2.387 1.00 0.00 H new ATOM 0 HA LEU A 139 20.086 6.867 -1.302 1.00 0.00 H new ATOM 0 HB2 LEU A 139 22.315 5.639 -2.979 1.00 0.00 H new ATOM 0 HB3 LEU A 139 22.370 7.250 -2.291 1.00 0.00 H new ATOM 0 HG LEU A 139 22.174 4.669 -0.709 1.00 0.00 H new ATOM 0 HD11 LEU A 139 24.471 5.156 -0.018 1.00 0.00 H new ATOM 0 HD12 LEU A 139 24.343 4.907 -1.775 1.00 0.00 H new ATOM 0 HD13 LEU A 139 24.504 6.553 -1.119 1.00 0.00 H new ATOM 0 HD21 LEU A 139 22.585 6.112 1.244 1.00 0.00 H new ATOM 0 HD22 LEU A 139 22.521 7.545 0.190 1.00 0.00 H new ATOM 0 HD23 LEU A 139 21.070 6.538 0.412 1.00 0.00 H new ATOM 2313 N LYS A 140 19.755 6.302 -4.494 1.00 0.00 N ATOM 2314 CA LYS A 140 19.273 6.880 -5.744 1.00 0.00 C ATOM 2315 C LYS A 140 17.836 7.357 -5.605 1.00 0.00 C ATOM 2316 O LYS A 140 17.387 8.227 -6.351 1.00 0.00 O ATOM 2317 CB LYS A 140 19.349 5.862 -6.870 1.00 0.00 C ATOM 2318 CG LYS A 140 20.259 6.267 -8.012 1.00 0.00 C ATOM 2319 CD LYS A 140 20.522 5.095 -8.940 1.00 0.00 C ATOM 2320 CE LYS A 140 21.549 4.148 -8.361 1.00 0.00 C ATOM 2321 NZ LYS A 140 22.910 4.739 -8.381 1.00 0.00 N ATOM 0 H LYS A 140 19.904 5.293 -4.527 1.00 0.00 H new ATOM 0 HA LYS A 140 19.912 7.731 -5.979 1.00 0.00 H new ATOM 0 HB2 LYS A 140 19.696 4.912 -6.463 1.00 0.00 H new ATOM 0 HB3 LYS A 140 18.346 5.694 -7.262 1.00 0.00 H new ATOM 0 HG2 LYS A 140 19.804 7.084 -8.572 1.00 0.00 H new ATOM 0 HG3 LYS A 140 21.203 6.640 -7.615 1.00 0.00 H new ATOM 0 HD2 LYS A 140 19.591 4.557 -9.121 1.00 0.00 H new ATOM 0 HD3 LYS A 140 20.870 5.465 -9.905 1.00 0.00 H new ATOM 0 HE2 LYS A 140 21.276 3.897 -7.336 1.00 0.00 H new ATOM 0 HE3 LYS A 140 21.547 3.217 -8.929 1.00 0.00 H new ATOM 0 HZ1 LYS A 140 23.618 3.985 -8.272 1.00 0.00 H new ATOM 0 HZ2 LYS A 140 23.062 5.229 -9.286 1.00 0.00 H new ATOM 0 HZ3 LYS A 140 23.005 5.418 -7.599 1.00 0.00 H new ATOM 2335 N ALA A 141 17.125 6.751 -4.664 1.00 0.00 N ATOM 2336 CA ALA A 141 15.728 7.067 -4.398 1.00 0.00 C ATOM 2337 C ALA A 141 15.498 8.567 -4.261 1.00 0.00 C ATOM 2338 O ALA A 141 15.896 9.140 -3.224 1.00 0.00 O ATOM 2339 CB ALA A 141 15.278 6.353 -3.140 1.00 0.00 C ATOM 2340 OXT ALA A 141 14.916 9.166 -5.191 1.00 0.00 O ATOM 0 H ALA A 141 17.504 6.022 -4.060 1.00 0.00 H new ATOM 0 HA ALA A 141 15.139 6.725 -5.249 1.00 0.00 H new ATOM 0 HB1 ALA A 141 14.233 6.590 -2.941 1.00 0.00 H new ATOM 0 HB2 ALA A 141 15.387 5.277 -3.274 1.00 0.00 H new ATOM 0 HB3 ALA A 141 15.890 6.678 -2.299 1.00 0.00 H new ATOM 2385 N ALA B 215 -17.979 3.439 8.835 1.00 0.00 N ATOM 2386 CA ALA B 215 -18.871 2.549 8.114 1.00 0.00 C ATOM 2387 C ALA B 215 -18.638 1.110 8.574 1.00 0.00 C ATOM 2388 O ALA B 215 -17.640 0.830 9.246 1.00 0.00 O ATOM 2389 CB ALA B 215 -18.647 2.685 6.612 1.00 0.00 C ATOM 0 HA ALA B 215 -19.905 2.820 8.326 1.00 0.00 H new ATOM 0 HB1 ALA B 215 -19.321 2.013 6.081 1.00 0.00 H new ATOM 0 HB2 ALA B 215 -18.844 3.713 6.306 1.00 0.00 H new ATOM 0 HB3 ALA B 215 -17.615 2.427 6.373 1.00 0.00 H new ATOM 2395 N PRO B 216 -19.554 0.184 8.253 1.00 0.00 N ATOM 2396 CA PRO B 216 -19.377 -1.231 8.587 1.00 0.00 C ATOM 2397 C PRO B 216 -18.078 -1.777 7.999 1.00 0.00 C ATOM 2398 O PRO B 216 -17.562 -1.245 7.013 1.00 0.00 O ATOM 2399 CB PRO B 216 -20.596 -1.915 7.951 1.00 0.00 C ATOM 2400 CG PRO B 216 -21.125 -0.927 6.968 1.00 0.00 C ATOM 2401 CD PRO B 216 -20.817 0.423 7.543 1.00 0.00 C ATOM 0 HA PRO B 216 -19.310 -1.402 9.661 1.00 0.00 H new ATOM 0 HB2 PRO B 216 -20.314 -2.847 7.461 1.00 0.00 H new ATOM 0 HB3 PRO B 216 -21.345 -2.164 8.702 1.00 0.00 H new ATOM 0 HG2 PRO B 216 -20.654 -1.054 5.993 1.00 0.00 H new ATOM 0 HG3 PRO B 216 -22.198 -1.055 6.823 1.00 0.00 H new ATOM 0 HD2 PRO B 216 -20.709 1.180 6.766 1.00 0.00 H new ATOM 0 HD3 PRO B 216 -21.603 0.766 8.216 1.00 0.00 H new ATOM 2409 N ARG B 217 -17.534 -2.816 8.605 1.00 0.00 N ATOM 2410 CA ARG B 217 -16.286 -3.379 8.128 1.00 0.00 C ATOM 2411 C ARG B 217 -16.268 -4.894 8.272 1.00 0.00 C ATOM 2412 O ARG B 217 -16.758 -5.450 9.256 1.00 0.00 O ATOM 2413 CB ARG B 217 -15.089 -2.741 8.845 1.00 0.00 C ATOM 2414 CG ARG B 217 -15.108 -2.869 10.359 1.00 0.00 C ATOM 2415 CD ARG B 217 -13.901 -2.180 10.978 1.00 0.00 C ATOM 2416 NE ARG B 217 -12.637 -2.778 10.538 1.00 0.00 N ATOM 2417 CZ ARG B 217 -11.532 -2.084 10.257 1.00 0.00 C ATOM 2418 NH1 ARG B 217 -11.524 -0.758 10.344 1.00 0.00 N ATOM 2419 NH2 ARG B 217 -10.428 -2.718 9.887 1.00 0.00 N ATOM 0 H ARG B 217 -17.932 -3.283 9.420 1.00 0.00 H new ATOM 0 HA ARG B 217 -16.204 -3.151 7.065 1.00 0.00 H new ATOM 0 HB2 ARG B 217 -14.173 -3.196 8.468 1.00 0.00 H new ATOM 0 HB3 ARG B 217 -15.050 -1.683 8.585 1.00 0.00 H new ATOM 0 HG2 ARG B 217 -16.024 -2.430 10.753 1.00 0.00 H new ATOM 0 HG3 ARG B 217 -15.113 -3.922 10.639 1.00 0.00 H new ATOM 0 HD2 ARG B 217 -13.913 -1.123 10.713 1.00 0.00 H new ATOM 0 HD3 ARG B 217 -13.969 -2.237 12.064 1.00 0.00 H new ATOM 0 HE ARG B 217 -12.599 -3.793 10.440 1.00 0.00 H new ATOM 0 HH11 ARG B 217 -12.368 -0.260 10.628 1.00 0.00 H new ATOM 0 HH12 ARG B 217 -10.674 -0.238 10.127 1.00 0.00 H new ATOM 0 HH21 ARG B 217 -10.423 -3.736 9.817 1.00 0.00 H new ATOM 0 HH22 ARG B 217 -9.583 -2.188 9.672 1.00 0.00 H new