USER MOD reduce.3.24.130724 H: found=0, std=0, add=551, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 548 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 56 HIS : no HD1:sc= 0.232 K(o=-0.17,f=-3.9!) USER MOD Set 1.2: A 57 HIS : no HD1:sc= -0.407 X(o=-0.17,f=0.21) USER MOD Set 2.1: A 3 LYS NZ :NH3+ 154:sc= -0.0488 (180deg=-1.03) USER MOD Set 2.2: A 41 HIS : no HE2:sc= -3.86! C(o=-3.9!,f=-3.8!) USER MOD Single : A 8 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 14 THR OG1 : rot 180:sc= -0.0934 USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=-0.02) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 24 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 CYS SG : rot -151:sc= 1.17 USER MOD Single : A 35 LYS NZ :NH3+ 167:sc=-4.96e-05 (180deg=-0.0673) USER MOD Single : A 36 ASN : amide:sc= -0.858 K(o=-0.86,f=-0.17) USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 ASN : amide:sc= 0.194 X(o=0.19,f=0) USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 HIS : no HD1:sc= -2.87! K(o=-2.9!,f=-2.2) USER MOD Single : A 64 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 66 ASN : amide:sc=-5.25e-05 X(o=-5.2e-05,f=0) USER MOD ----------------------------------------------------------------- ATOM 83 N VAL A 2 -2.274 17.075 2.243 1.00 0.00 N ATOM 84 CA VAL A 2 -3.001 16.221 3.175 1.00 0.00 C ATOM 85 C VAL A 2 -2.360 14.842 3.272 1.00 0.00 C ATOM 86 O VAL A 2 -2.331 14.088 2.298 1.00 0.00 O ATOM 87 CB VAL A 2 -4.475 16.062 2.757 1.00 0.00 C ATOM 88 CG1 VAL A 2 -5.151 14.980 3.585 1.00 0.00 C ATOM 89 CG2 VAL A 2 -5.212 17.386 2.891 1.00 0.00 C ATOM 0 HA VAL A 2 -2.958 16.707 4.150 1.00 0.00 H new ATOM 0 HB VAL A 2 -4.507 15.758 1.711 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -6.192 14.882 3.276 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -4.636 14.031 3.434 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -5.110 15.250 4.640 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -6.252 17.255 2.592 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -5.172 17.721 3.927 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -4.741 18.131 2.250 1.00 0.00 H new ATOM 99 N LYS A 3 -1.847 14.516 4.453 1.00 0.00 N ATOM 100 CA LYS A 3 -1.207 13.225 4.680 1.00 0.00 C ATOM 101 C LYS A 3 -2.249 12.124 4.850 1.00 0.00 C ATOM 102 O LYS A 3 -3.293 12.332 5.469 1.00 0.00 O ATOM 103 CB LYS A 3 -0.310 13.288 5.919 1.00 0.00 C ATOM 104 CG LYS A 3 0.427 11.991 6.203 1.00 0.00 C ATOM 105 CD LYS A 3 0.950 11.947 7.629 1.00 0.00 C ATOM 106 CE LYS A 3 2.327 12.583 7.737 1.00 0.00 C ATOM 107 NZ LYS A 3 2.252 14.070 7.761 1.00 0.00 N ATOM 0 H LYS A 3 -1.862 15.128 5.269 1.00 0.00 H new ATOM 0 HA LYS A 3 -0.596 12.992 3.808 1.00 0.00 H new ATOM 0 HB2 LYS A 3 0.418 14.089 5.790 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -0.919 13.547 6.785 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -0.242 11.147 6.034 1.00 0.00 H new ATOM 0 HG3 LYS A 3 1.258 11.884 5.506 1.00 0.00 H new ATOM 0 HD2 LYS A 3 0.255 12.467 8.289 1.00 0.00 H new ATOM 0 HD3 LYS A 3 0.998 10.912 7.968 1.00 0.00 H new ATOM 0 HE2 LYS A 3 2.820 12.230 8.643 1.00 0.00 H new ATOM 0 HE3 LYS A 3 2.941 12.264 6.895 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 3.083 14.452 8.257 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 2.234 14.432 6.786 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 1.387 14.366 8.256 1.00 0.00 H new ATOM 121 N LEU A 4 -1.958 10.951 4.298 1.00 0.00 N ATOM 122 CA LEU A 4 -2.869 9.815 4.389 1.00 0.00 C ATOM 123 C LEU A 4 -2.219 8.655 5.135 1.00 0.00 C ATOM 124 O LEU A 4 -1.052 8.333 4.910 1.00 0.00 O ATOM 125 CB LEU A 4 -3.294 9.363 2.991 1.00 0.00 C ATOM 126 CG LEU A 4 -3.838 10.455 2.069 1.00 0.00 C ATOM 127 CD1 LEU A 4 -3.782 10.005 0.618 1.00 0.00 C ATOM 128 CD2 LEU A 4 -5.262 10.823 2.461 1.00 0.00 C ATOM 0 H LEU A 4 -1.098 10.762 3.783 1.00 0.00 H new ATOM 0 HA LEU A 4 -3.751 10.132 4.945 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -2.436 8.899 2.505 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -4.057 8.591 3.097 1.00 0.00 H new ATOM 0 HG LEU A 4 -3.212 11.341 2.177 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -4.173 10.795 -0.023 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -2.749 9.792 0.343 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -4.384 9.105 0.493 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -5.633 11.601 1.794 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -5.900 9.943 2.382 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -5.274 11.189 3.488 1.00 0.00 H new ATOM 140 N PHE A 5 -2.983 8.028 6.024 1.00 0.00 N ATOM 141 CA PHE A 5 -2.482 6.901 6.803 1.00 0.00 C ATOM 142 C PHE A 5 -3.004 5.580 6.247 1.00 0.00 C ATOM 143 O PHE A 5 -4.213 5.388 6.107 1.00 0.00 O ATOM 144 CB PHE A 5 -2.890 7.047 8.271 1.00 0.00 C ATOM 145 CG PHE A 5 -2.443 5.902 9.134 1.00 0.00 C ATOM 146 CD1 PHE A 5 -2.979 4.636 8.960 1.00 0.00 C ATOM 147 CD2 PHE A 5 -1.487 6.091 10.119 1.00 0.00 C ATOM 148 CE1 PHE A 5 -2.570 3.581 9.753 1.00 0.00 C ATOM 149 CE2 PHE A 5 -1.074 5.040 10.915 1.00 0.00 C ATOM 150 CZ PHE A 5 -1.615 3.782 10.731 1.00 0.00 C ATOM 0 H PHE A 5 -3.951 8.281 6.223 1.00 0.00 H new ATOM 0 HA PHE A 5 -1.394 6.899 6.734 1.00 0.00 H new ATOM 0 HB2 PHE A 5 -2.473 7.973 8.665 1.00 0.00 H new ATOM 0 HB3 PHE A 5 -3.975 7.135 8.331 1.00 0.00 H new ATOM 0 HD1 PHE A 5 -3.725 4.472 8.196 1.00 0.00 H new ATOM 0 HD2 PHE A 5 -1.060 7.072 10.266 1.00 0.00 H new ATOM 0 HE1 PHE A 5 -2.997 2.599 9.608 1.00 0.00 H new ATOM 0 HE2 PHE A 5 -0.329 5.202 11.680 1.00 0.00 H new ATOM 0 HZ PHE A 5 -1.292 2.958 11.350 1.00 0.00 H new ATOM 160 N ILE A 6 -2.086 4.673 5.931 1.00 0.00 N ATOM 161 CA ILE A 6 -2.454 3.370 5.391 1.00 0.00 C ATOM 162 C ILE A 6 -1.936 2.242 6.277 1.00 0.00 C ATOM 163 O ILE A 6 -0.767 2.225 6.659 1.00 0.00 O ATOM 164 CB ILE A 6 -1.908 3.179 3.964 1.00 0.00 C ATOM 165 CG1 ILE A 6 -2.246 4.394 3.098 1.00 0.00 C ATOM 166 CG2 ILE A 6 -2.474 1.908 3.347 1.00 0.00 C ATOM 167 CD1 ILE A 6 -1.606 4.356 1.728 1.00 0.00 C ATOM 0 H ILE A 6 -1.082 4.816 6.040 1.00 0.00 H new ATOM 0 HA ILE A 6 -3.543 3.335 5.363 1.00 0.00 H new ATOM 0 HB ILE A 6 -0.823 3.084 4.015 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -3.328 4.458 2.983 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -1.926 5.299 3.615 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -2.079 1.786 2.338 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -2.188 1.050 3.955 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -3.561 1.977 3.305 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -1.889 5.248 1.169 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -0.522 4.323 1.834 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -1.946 3.470 1.192 1.00 0.00 H new ATOM 179 N GLY A 7 -2.816 1.299 6.599 1.00 0.00 N ATOM 180 CA GLY A 7 -2.429 0.178 7.436 1.00 0.00 C ATOM 181 C GLY A 7 -2.751 -1.159 6.800 1.00 0.00 C ATOM 182 O GLY A 7 -3.427 -1.219 5.773 1.00 0.00 O ATOM 0 H GLY A 7 -3.790 1.291 6.295 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -1.359 0.232 7.639 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -2.939 0.252 8.396 1.00 0.00 H new ATOM 186 N ASN A 8 -2.265 -2.236 7.409 1.00 0.00 N ATOM 187 CA ASN A 8 -2.503 -3.579 6.894 1.00 0.00 C ATOM 188 C ASN A 8 -1.990 -3.712 5.464 1.00 0.00 C ATOM 189 O ASN A 8 -2.730 -4.103 4.560 1.00 0.00 O ATOM 190 CB ASN A 8 -3.996 -3.910 6.945 1.00 0.00 C ATOM 191 CG ASN A 8 -4.254 -5.396 7.102 1.00 0.00 C ATOM 192 OD1 ASN A 8 -3.991 -5.975 8.156 1.00 0.00 O ATOM 193 ND2 ASN A 8 -4.771 -6.021 6.051 1.00 0.00 N ATOM 0 H ASN A 8 -1.704 -2.204 8.260 1.00 0.00 H new ATOM 0 HA ASN A 8 -1.960 -4.284 7.523 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -4.456 -3.375 7.776 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -4.475 -3.555 6.033 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -4.966 -7.021 6.097 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -4.973 -5.501 5.197 1.00 0.00 H new ATOM 200 N LEU A 9 -0.717 -3.385 5.265 1.00 0.00 N ATOM 201 CA LEU A 9 -0.103 -3.469 3.944 1.00 0.00 C ATOM 202 C LEU A 9 0.584 -4.816 3.748 1.00 0.00 C ATOM 203 O LEU A 9 1.170 -5.382 4.671 1.00 0.00 O ATOM 204 CB LEU A 9 0.907 -2.335 3.757 1.00 0.00 C ATOM 205 CG LEU A 9 0.319 -0.935 3.577 1.00 0.00 C ATOM 206 CD1 LEU A 9 1.393 0.124 3.778 1.00 0.00 C ATOM 207 CD2 LEU A 9 -0.318 -0.797 2.203 1.00 0.00 C ATOM 0 H LEU A 9 -0.091 -3.059 6.001 1.00 0.00 H new ATOM 0 HA LEU A 9 -0.891 -3.372 3.197 1.00 0.00 H new ATOM 0 HB2 LEU A 9 1.570 -2.320 4.622 1.00 0.00 H new ATOM 0 HB3 LEU A 9 1.522 -2.563 2.887 1.00 0.00 H new ATOM 0 HG LEU A 9 -0.455 -0.787 4.330 1.00 0.00 H new ATOM 0 HD11 LEU A 9 0.957 1.114 3.646 1.00 0.00 H new ATOM 0 HD12 LEU A 9 1.804 0.039 4.784 1.00 0.00 H new ATOM 0 HD13 LEU A 9 2.189 -0.022 3.048 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -0.731 0.206 2.093 1.00 0.00 H new ATOM 0 HD22 LEU A 9 0.436 -0.966 1.434 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -1.116 -1.532 2.096 1.00 0.00 H new ATOM 219 N PRO A 10 0.514 -5.342 2.516 1.00 0.00 N ATOM 220 CA PRO A 10 1.127 -6.628 2.168 1.00 0.00 C ATOM 221 C PRO A 10 2.635 -6.517 1.974 1.00 0.00 C ATOM 222 O PRO A 10 3.202 -5.427 2.049 1.00 0.00 O ATOM 223 CB PRO A 10 0.444 -7.001 0.850 1.00 0.00 C ATOM 224 CG PRO A 10 0.068 -5.697 0.236 1.00 0.00 C ATOM 225 CD PRO A 10 -0.168 -4.722 1.367 1.00 0.00 C ATOM 0 HA PRO A 10 0.996 -7.369 2.956 1.00 0.00 H new ATOM 0 HB2 PRO A 10 1.115 -7.565 0.202 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -0.433 -7.625 1.021 1.00 0.00 H new ATOM 0 HG2 PRO A 10 0.860 -5.339 -0.422 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -0.829 -5.803 -0.374 1.00 0.00 H new ATOM 0 HD2 PRO A 10 0.245 -3.739 1.140 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -1.232 -4.584 1.560 1.00 0.00 H new ATOM 233 N ARG A 11 3.279 -7.653 1.724 1.00 0.00 N ATOM 234 CA ARG A 11 4.723 -7.683 1.519 1.00 0.00 C ATOM 235 C ARG A 11 5.082 -7.223 0.109 1.00 0.00 C ATOM 236 O ARG A 11 6.122 -6.601 -0.104 1.00 0.00 O ATOM 237 CB ARG A 11 5.264 -9.093 1.761 1.00 0.00 C ATOM 238 CG ARG A 11 5.574 -9.385 3.220 1.00 0.00 C ATOM 239 CD ARG A 11 6.707 -10.390 3.358 1.00 0.00 C ATOM 240 NE ARG A 11 6.296 -11.736 2.969 1.00 0.00 N ATOM 241 CZ ARG A 11 7.101 -12.792 3.011 1.00 0.00 C ATOM 242 NH1 ARG A 11 8.355 -12.657 3.422 1.00 0.00 N ATOM 243 NH2 ARG A 11 6.653 -13.985 2.641 1.00 0.00 N ATOM 0 H ARG A 11 2.824 -8.564 1.659 1.00 0.00 H new ATOM 0 HA ARG A 11 5.181 -6.998 2.233 1.00 0.00 H new ATOM 0 HB2 ARG A 11 4.535 -9.819 1.401 1.00 0.00 H new ATOM 0 HB3 ARG A 11 6.170 -9.231 1.171 1.00 0.00 H new ATOM 0 HG2 ARG A 11 5.843 -8.459 3.728 1.00 0.00 H new ATOM 0 HG3 ARG A 11 4.682 -9.771 3.713 1.00 0.00 H new ATOM 0 HD2 ARG A 11 7.548 -10.075 2.740 1.00 0.00 H new ATOM 0 HD3 ARG A 11 7.057 -10.402 4.390 1.00 0.00 H new ATOM 0 HE ARG A 11 5.338 -11.873 2.647 1.00 0.00 H new ATOM 0 HH11 ARG A 11 8.703 -11.741 3.706 1.00 0.00 H new ATOM 0 HH12 ARG A 11 8.972 -13.469 3.454 1.00 0.00 H new ATOM 0 HH21 ARG A 11 5.689 -14.092 2.324 1.00 0.00 H new ATOM 0 HH22 ARG A 11 7.272 -14.795 2.674 1.00 0.00 H new ATOM 257 N GLU A 12 4.214 -7.534 -0.848 1.00 0.00 N ATOM 258 CA GLU A 12 4.442 -7.154 -2.237 1.00 0.00 C ATOM 259 C GLU A 12 4.249 -5.652 -2.429 1.00 0.00 C ATOM 260 O GLU A 12 4.849 -5.047 -3.316 1.00 0.00 O ATOM 261 CB GLU A 12 3.495 -7.922 -3.162 1.00 0.00 C ATOM 262 CG GLU A 12 3.633 -9.432 -3.055 1.00 0.00 C ATOM 263 CD GLU A 12 2.339 -10.159 -3.366 1.00 0.00 C ATOM 264 OE1 GLU A 12 1.489 -10.270 -2.457 1.00 0.00 O ATOM 265 OE2 GLU A 12 2.176 -10.617 -4.516 1.00 0.00 O ATOM 0 H GLU A 12 3.347 -8.047 -0.687 1.00 0.00 H new ATOM 0 HA GLU A 12 5.471 -7.407 -2.491 1.00 0.00 H new ATOM 0 HB2 GLU A 12 2.467 -7.642 -2.930 1.00 0.00 H new ATOM 0 HB3 GLU A 12 3.683 -7.620 -4.192 1.00 0.00 H new ATOM 0 HG2 GLU A 12 4.410 -9.772 -3.740 1.00 0.00 H new ATOM 0 HG3 GLU A 12 3.959 -9.693 -2.048 1.00 0.00 H new ATOM 272 N ALA A 13 3.407 -5.058 -1.589 1.00 0.00 N ATOM 273 CA ALA A 13 3.136 -3.627 -1.664 1.00 0.00 C ATOM 274 C ALA A 13 4.430 -2.829 -1.786 1.00 0.00 C ATOM 275 O ALA A 13 5.383 -3.053 -1.039 1.00 0.00 O ATOM 276 CB ALA A 13 2.347 -3.175 -0.444 1.00 0.00 C ATOM 0 H ALA A 13 2.901 -5.545 -0.849 1.00 0.00 H new ATOM 0 HA ALA A 13 2.540 -3.441 -2.558 1.00 0.00 H new ATOM 0 HB1 ALA A 13 2.152 -2.105 -0.513 1.00 0.00 H new ATOM 0 HB2 ALA A 13 1.401 -3.715 -0.402 1.00 0.00 H new ATOM 0 HB3 ALA A 13 2.923 -3.381 0.458 1.00 0.00 H new ATOM 282 N THR A 14 4.457 -1.896 -2.733 1.00 0.00 N ATOM 283 CA THR A 14 5.634 -1.066 -2.954 1.00 0.00 C ATOM 284 C THR A 14 5.257 0.409 -3.047 1.00 0.00 C ATOM 285 O THR A 14 4.185 0.754 -3.542 1.00 0.00 O ATOM 286 CB THR A 14 6.378 -1.476 -4.238 1.00 0.00 C ATOM 287 OG1 THR A 14 5.476 -1.465 -5.351 1.00 0.00 O ATOM 288 CG2 THR A 14 6.992 -2.860 -4.090 1.00 0.00 C ATOM 0 H THR A 14 3.677 -1.697 -3.359 1.00 0.00 H new ATOM 0 HA THR A 14 6.292 -1.217 -2.098 1.00 0.00 H new ATOM 0 HB THR A 14 7.179 -0.758 -4.412 1.00 0.00 H new ATOM 0 HG1 THR A 14 5.957 -1.725 -6.164 1.00 0.00 H new ATOM 0 HG21 THR A 14 7.512 -3.128 -5.010 1.00 0.00 H new ATOM 0 HG22 THR A 14 7.699 -2.857 -3.261 1.00 0.00 H new ATOM 0 HG23 THR A 14 6.205 -3.588 -3.893 1.00 0.00 H new ATOM 296 N GLU A 15 6.146 1.273 -2.567 1.00 0.00 N ATOM 297 CA GLU A 15 5.905 2.711 -2.597 1.00 0.00 C ATOM 298 C GLU A 15 5.221 3.121 -3.898 1.00 0.00 C ATOM 299 O GLU A 15 4.204 3.814 -3.884 1.00 0.00 O ATOM 300 CB GLU A 15 7.222 3.475 -2.438 1.00 0.00 C ATOM 301 CG GLU A 15 7.708 3.556 -1.001 1.00 0.00 C ATOM 302 CD GLU A 15 9.069 4.213 -0.882 1.00 0.00 C ATOM 303 OE1 GLU A 15 10.036 3.685 -1.469 1.00 0.00 O ATOM 304 OE2 GLU A 15 9.168 5.256 -0.201 1.00 0.00 O ATOM 0 H GLU A 15 7.038 1.003 -2.153 1.00 0.00 H new ATOM 0 HA GLU A 15 5.246 2.960 -1.766 1.00 0.00 H new ATOM 0 HB2 GLU A 15 7.988 2.993 -3.045 1.00 0.00 H new ATOM 0 HB3 GLU A 15 7.096 4.485 -2.828 1.00 0.00 H new ATOM 0 HG2 GLU A 15 6.985 4.116 -0.408 1.00 0.00 H new ATOM 0 HG3 GLU A 15 7.755 2.552 -0.580 1.00 0.00 H new ATOM 311 N GLN A 16 5.788 2.688 -5.020 1.00 0.00 N ATOM 312 CA GLN A 16 5.233 3.011 -6.329 1.00 0.00 C ATOM 313 C GLN A 16 3.769 2.596 -6.418 1.00 0.00 C ATOM 314 O GLN A 16 2.881 3.440 -6.540 1.00 0.00 O ATOM 315 CB GLN A 16 6.039 2.322 -7.432 1.00 0.00 C ATOM 316 CG GLN A 16 5.463 2.525 -8.824 1.00 0.00 C ATOM 317 CD GLN A 16 6.059 1.577 -9.846 1.00 0.00 C ATOM 318 OE1 GLN A 16 7.270 1.357 -9.874 1.00 0.00 O ATOM 319 NE2 GLN A 16 5.208 1.010 -10.694 1.00 0.00 N ATOM 0 H GLN A 16 6.630 2.113 -5.049 1.00 0.00 H new ATOM 0 HA GLN A 16 5.294 4.091 -6.465 1.00 0.00 H new ATOM 0 HB2 GLN A 16 7.062 2.699 -7.413 1.00 0.00 H new ATOM 0 HB3 GLN A 16 6.089 1.254 -7.221 1.00 0.00 H new ATOM 0 HG2 GLN A 16 4.383 2.384 -8.790 1.00 0.00 H new ATOM 0 HG3 GLN A 16 5.641 3.553 -9.140 1.00 0.00 H new ATOM 0 HE21 GLN A 16 4.212 1.221 -10.635 1.00 0.00 H new ATOM 0 HE22 GLN A 16 5.551 0.363 -11.405 1.00 0.00 H new ATOM 328 N GLU A 17 3.524 1.291 -6.356 1.00 0.00 N ATOM 329 CA GLU A 17 2.166 0.764 -6.431 1.00 0.00 C ATOM 330 C GLU A 17 1.184 1.691 -5.720 1.00 0.00 C ATOM 331 O GLU A 17 0.189 2.123 -6.304 1.00 0.00 O ATOM 332 CB GLU A 17 2.103 -0.634 -5.813 1.00 0.00 C ATOM 333 CG GLU A 17 2.568 -1.735 -6.751 1.00 0.00 C ATOM 334 CD GLU A 17 1.778 -1.773 -8.044 1.00 0.00 C ATOM 335 OE1 GLU A 17 0.620 -1.306 -8.047 1.00 0.00 O ATOM 336 OE2 GLU A 17 2.319 -2.270 -9.055 1.00 0.00 O ATOM 0 H GLU A 17 4.248 0.579 -6.254 1.00 0.00 H new ATOM 0 HA GLU A 17 1.885 0.701 -7.482 1.00 0.00 H new ATOM 0 HB2 GLU A 17 2.717 -0.652 -4.912 1.00 0.00 H new ATOM 0 HB3 GLU A 17 1.078 -0.840 -5.504 1.00 0.00 H new ATOM 0 HG2 GLU A 17 3.624 -1.591 -6.979 1.00 0.00 H new ATOM 0 HG3 GLU A 17 2.479 -2.698 -6.247 1.00 0.00 H new ATOM 343 N ILE A 18 1.470 1.992 -4.458 1.00 0.00 N ATOM 344 CA ILE A 18 0.613 2.867 -3.668 1.00 0.00 C ATOM 345 C ILE A 18 0.506 4.250 -4.302 1.00 0.00 C ATOM 346 O ILE A 18 -0.584 4.814 -4.405 1.00 0.00 O ATOM 347 CB ILE A 18 1.134 3.014 -2.227 1.00 0.00 C ATOM 348 CG1 ILE A 18 1.142 1.656 -1.523 1.00 0.00 C ATOM 349 CG2 ILE A 18 0.284 4.012 -1.455 1.00 0.00 C ATOM 350 CD1 ILE A 18 -0.228 1.023 -1.415 1.00 0.00 C ATOM 0 H ILE A 18 2.289 1.643 -3.960 1.00 0.00 H new ATOM 0 HA ILE A 18 -0.373 2.404 -3.643 1.00 0.00 H new ATOM 0 HB ILE A 18 2.157 3.389 -2.263 1.00 0.00 H new ATOM 0 HG12 ILE A 18 1.804 0.980 -2.063 1.00 0.00 H new ATOM 0 HG13 ILE A 18 1.557 1.777 -0.523 1.00 0.00 H new ATOM 0 HG21 ILE A 18 0.665 4.105 -0.438 1.00 0.00 H new ATOM 0 HG22 ILE A 18 0.325 4.983 -1.948 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -0.749 3.664 -1.425 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -0.146 0.063 -0.905 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -0.889 1.680 -0.849 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -0.638 0.870 -2.413 1.00 0.00 H new ATOM 362 N ARG A 19 1.643 4.789 -4.727 1.00 0.00 N ATOM 363 CA ARG A 19 1.678 6.106 -5.352 1.00 0.00 C ATOM 364 C ARG A 19 0.752 6.157 -6.564 1.00 0.00 C ATOM 365 O ARG A 19 -0.172 6.968 -6.618 1.00 0.00 O ATOM 366 CB ARG A 19 3.106 6.457 -5.772 1.00 0.00 C ATOM 367 CG ARG A 19 3.255 7.876 -6.296 1.00 0.00 C ATOM 368 CD ARG A 19 4.569 8.060 -7.040 1.00 0.00 C ATOM 369 NE ARG A 19 4.527 9.201 -7.951 1.00 0.00 N ATOM 370 CZ ARG A 19 5.567 9.605 -8.672 1.00 0.00 C ATOM 371 NH1 ARG A 19 6.724 8.962 -8.590 1.00 0.00 N ATOM 372 NH2 ARG A 19 5.451 10.652 -9.478 1.00 0.00 N ATOM 0 H ARG A 19 2.553 4.334 -4.650 1.00 0.00 H new ATOM 0 HA ARG A 19 1.332 6.837 -4.621 1.00 0.00 H new ATOM 0 HB2 ARG A 19 3.770 6.322 -4.918 1.00 0.00 H new ATOM 0 HB3 ARG A 19 3.431 5.758 -6.543 1.00 0.00 H new ATOM 0 HG2 ARG A 19 2.423 8.109 -6.961 1.00 0.00 H new ATOM 0 HG3 ARG A 19 3.205 8.579 -5.465 1.00 0.00 H new ATOM 0 HD2 ARG A 19 5.376 8.200 -6.321 1.00 0.00 H new ATOM 0 HD3 ARG A 19 4.797 7.155 -7.603 1.00 0.00 H new ATOM 0 HE ARG A 19 3.651 9.716 -8.038 1.00 0.00 H new ATOM 0 HH11 ARG A 19 6.817 8.156 -7.972 1.00 0.00 H new ATOM 0 HH12 ARG A 19 7.521 9.274 -9.145 1.00 0.00 H new ATOM 0 HH21 ARG A 19 4.562 11.148 -9.545 1.00 0.00 H new ATOM 0 HH22 ARG A 19 6.250 10.961 -10.031 1.00 0.00 H new ATOM 386 N SER A 20 1.009 5.286 -7.535 1.00 0.00 N ATOM 387 CA SER A 20 0.202 5.235 -8.748 1.00 0.00 C ATOM 388 C SER A 20 -1.286 5.213 -8.411 1.00 0.00 C ATOM 389 O SER A 20 -2.091 5.886 -9.056 1.00 0.00 O ATOM 390 CB SER A 20 0.566 4.001 -9.576 1.00 0.00 C ATOM 391 OG SER A 20 1.900 4.080 -10.050 1.00 0.00 O ATOM 0 H SER A 20 1.769 4.607 -7.505 1.00 0.00 H new ATOM 0 HA SER A 20 0.412 6.131 -9.332 1.00 0.00 H new ATOM 0 HB2 SER A 20 0.445 3.103 -8.969 1.00 0.00 H new ATOM 0 HB3 SER A 20 -0.118 3.910 -10.420 1.00 0.00 H new ATOM 0 HG SER A 20 2.109 3.279 -10.575 1.00 0.00 H new ATOM 397 N LEU A 21 -1.644 4.436 -7.395 1.00 0.00 N ATOM 398 CA LEU A 21 -3.036 4.326 -6.970 1.00 0.00 C ATOM 399 C LEU A 21 -3.613 5.697 -6.635 1.00 0.00 C ATOM 400 O LEU A 21 -4.662 6.083 -7.150 1.00 0.00 O ATOM 401 CB LEU A 21 -3.146 3.402 -5.755 1.00 0.00 C ATOM 402 CG LEU A 21 -3.126 1.902 -6.049 1.00 0.00 C ATOM 403 CD1 LEU A 21 -2.979 1.108 -4.760 1.00 0.00 C ATOM 404 CD2 LEU A 21 -4.387 1.486 -6.792 1.00 0.00 C ATOM 0 H LEU A 21 -0.991 3.873 -6.850 1.00 0.00 H new ATOM 0 HA LEU A 21 -3.610 3.903 -7.794 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -2.325 3.630 -5.075 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -4.071 3.636 -5.228 1.00 0.00 H new ATOM 0 HG LEU A 21 -2.267 1.688 -6.685 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -2.967 0.042 -4.989 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -2.047 1.384 -4.267 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -3.818 1.328 -4.100 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -4.355 0.415 -6.992 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -5.261 1.715 -6.182 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -4.450 2.030 -7.735 1.00 0.00 H new ATOM 416 N PHE A 22 -2.920 6.430 -5.770 1.00 0.00 N ATOM 417 CA PHE A 22 -3.363 7.760 -5.366 1.00 0.00 C ATOM 418 C PHE A 22 -3.195 8.758 -6.508 1.00 0.00 C ATOM 419 O PHE A 22 -3.902 9.763 -6.576 1.00 0.00 O ATOM 420 CB PHE A 22 -2.578 8.232 -4.141 1.00 0.00 C ATOM 421 CG PHE A 22 -2.976 7.537 -2.870 1.00 0.00 C ATOM 422 CD1 PHE A 22 -4.131 7.903 -2.197 1.00 0.00 C ATOM 423 CD2 PHE A 22 -2.196 6.518 -2.348 1.00 0.00 C ATOM 424 CE1 PHE A 22 -4.499 7.266 -1.027 1.00 0.00 C ATOM 425 CE2 PHE A 22 -2.559 5.877 -1.178 1.00 0.00 C ATOM 426 CZ PHE A 22 -3.713 6.251 -0.518 1.00 0.00 C ATOM 0 H PHE A 22 -2.049 6.126 -5.335 1.00 0.00 H new ATOM 0 HA PHE A 22 -4.421 7.702 -5.110 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -1.514 8.070 -4.316 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -2.721 9.306 -4.019 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -4.750 8.695 -2.591 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -1.293 6.221 -2.861 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -5.401 7.562 -0.511 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -1.941 5.085 -0.781 1.00 0.00 H new ATOM 0 HZ PHE A 22 -4.000 5.750 0.395 1.00 0.00 H new ATOM 436 N GLU A 23 -2.253 8.473 -7.402 1.00 0.00 N ATOM 437 CA GLU A 23 -1.992 9.346 -8.540 1.00 0.00 C ATOM 438 C GLU A 23 -3.203 9.412 -9.466 1.00 0.00 C ATOM 439 O GLU A 23 -3.255 10.236 -10.378 1.00 0.00 O ATOM 440 CB GLU A 23 -0.768 8.856 -9.316 1.00 0.00 C ATOM 441 CG GLU A 23 0.546 9.419 -8.800 1.00 0.00 C ATOM 442 CD GLU A 23 0.930 10.720 -9.477 1.00 0.00 C ATOM 443 OE1 GLU A 23 0.020 11.440 -9.940 1.00 0.00 O ATOM 444 OE2 GLU A 23 2.141 11.019 -9.544 1.00 0.00 O ATOM 0 H GLU A 23 -1.659 7.645 -7.360 1.00 0.00 H new ATOM 0 HA GLU A 23 -1.795 10.348 -8.159 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -0.730 7.768 -9.269 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -0.882 9.126 -10.366 1.00 0.00 H new ATOM 0 HG2 GLU A 23 0.470 9.582 -7.725 1.00 0.00 H new ATOM 0 HG3 GLU A 23 1.337 8.686 -8.956 1.00 0.00 H new ATOM 451 N GLN A 24 -4.173 8.536 -9.224 1.00 0.00 N ATOM 452 CA GLN A 24 -5.383 8.494 -10.037 1.00 0.00 C ATOM 453 C GLN A 24 -6.396 9.530 -9.560 1.00 0.00 C ATOM 454 O GLN A 24 -7.160 10.077 -10.355 1.00 0.00 O ATOM 455 CB GLN A 24 -6.004 7.097 -9.991 1.00 0.00 C ATOM 456 CG GLN A 24 -5.056 5.994 -10.433 1.00 0.00 C ATOM 457 CD GLN A 24 -5.755 4.661 -10.614 1.00 0.00 C ATOM 458 OE1 GLN A 24 -6.155 4.302 -11.722 1.00 0.00 O ATOM 459 NE2 GLN A 24 -5.906 3.919 -9.524 1.00 0.00 N ATOM 0 H GLN A 24 -4.145 7.847 -8.473 1.00 0.00 H new ATOM 0 HA GLN A 24 -5.108 8.729 -11.065 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -6.339 6.891 -8.974 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -6.889 7.081 -10.628 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -4.582 6.282 -11.372 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -4.261 5.886 -9.695 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -5.559 4.256 -8.626 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -6.369 3.012 -9.584 1.00 0.00 H new ATOM 468 N TYR A 25 -6.396 9.794 -8.258 1.00 0.00 N ATOM 469 CA TYR A 25 -7.317 10.762 -7.675 1.00 0.00 C ATOM 470 C TYR A 25 -6.574 12.013 -7.215 1.00 0.00 C ATOM 471 O TYR A 25 -7.152 12.895 -6.583 1.00 0.00 O ATOM 472 CB TYR A 25 -8.067 10.139 -6.497 1.00 0.00 C ATOM 473 CG TYR A 25 -8.478 8.703 -6.732 1.00 0.00 C ATOM 474 CD1 TYR A 25 -7.560 7.668 -6.612 1.00 0.00 C ATOM 475 CD2 TYR A 25 -9.786 8.382 -7.075 1.00 0.00 C ATOM 476 CE1 TYR A 25 -7.931 6.355 -6.826 1.00 0.00 C ATOM 477 CE2 TYR A 25 -10.167 7.071 -7.290 1.00 0.00 C ATOM 478 CZ TYR A 25 -9.236 6.061 -7.165 1.00 0.00 C ATOM 479 OH TYR A 25 -9.610 4.754 -7.379 1.00 0.00 O ATOM 0 H TYR A 25 -5.769 9.351 -7.587 1.00 0.00 H new ATOM 0 HA TYR A 25 -8.035 11.050 -8.443 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -7.436 10.187 -5.609 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -8.957 10.733 -6.288 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -6.538 7.894 -6.347 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -10.517 9.170 -7.175 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -7.204 5.563 -6.729 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -11.188 6.839 -7.554 1.00 0.00 H new ATOM 0 HH TYR A 25 -10.562 4.720 -7.608 1.00 0.00 H new ATOM 489 N GLY A 26 -5.286 12.080 -7.538 1.00 0.00 N ATOM 490 CA GLY A 26 -4.483 13.225 -7.152 1.00 0.00 C ATOM 491 C GLY A 26 -3.000 12.913 -7.130 1.00 0.00 C ATOM 492 O GLY A 26 -2.594 11.816 -6.746 1.00 0.00 O ATOM 0 H GLY A 26 -4.785 11.361 -8.060 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -4.668 14.045 -7.846 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -4.794 13.566 -6.165 1.00 0.00 H new ATOM 496 N LYS A 27 -2.187 13.879 -7.546 1.00 0.00 N ATOM 497 CA LYS A 27 -0.740 13.703 -7.574 1.00 0.00 C ATOM 498 C LYS A 27 -0.196 13.444 -6.172 1.00 0.00 C ATOM 499 O LYS A 27 -0.557 14.133 -5.219 1.00 0.00 O ATOM 500 CB LYS A 27 -0.067 14.939 -8.173 1.00 0.00 C ATOM 501 CG LYS A 27 1.443 14.817 -8.282 1.00 0.00 C ATOM 502 CD LYS A 27 2.082 16.135 -8.685 1.00 0.00 C ATOM 503 CE LYS A 27 3.594 16.094 -8.527 1.00 0.00 C ATOM 504 NZ LYS A 27 4.189 17.459 -8.521 1.00 0.00 N ATOM 0 H LYS A 27 -2.507 14.792 -7.869 1.00 0.00 H new ATOM 0 HA LYS A 27 -0.516 12.837 -8.197 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -0.481 15.123 -9.165 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -0.310 15.807 -7.560 1.00 0.00 H new ATOM 0 HG2 LYS A 27 1.852 14.491 -7.326 1.00 0.00 H new ATOM 0 HG3 LYS A 27 1.695 14.051 -9.015 1.00 0.00 H new ATOM 0 HD2 LYS A 27 1.830 16.361 -9.721 1.00 0.00 H new ATOM 0 HD3 LYS A 27 1.673 16.940 -8.075 1.00 0.00 H new ATOM 0 HE2 LYS A 27 3.848 15.583 -7.598 1.00 0.00 H new ATOM 0 HE3 LYS A 27 4.028 15.512 -9.340 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 5.221 17.387 -8.411 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 3.968 17.938 -9.417 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 3.794 18.006 -7.730 1.00 0.00 H new ATOM 518 N VAL A 28 0.674 12.446 -6.055 1.00 0.00 N ATOM 519 CA VAL A 28 1.269 12.098 -4.771 1.00 0.00 C ATOM 520 C VAL A 28 2.649 12.728 -4.615 1.00 0.00 C ATOM 521 O VAL A 28 3.472 12.680 -5.530 1.00 0.00 O ATOM 522 CB VAL A 28 1.393 10.571 -4.605 1.00 0.00 C ATOM 523 CG1 VAL A 28 2.008 10.229 -3.256 1.00 0.00 C ATOM 524 CG2 VAL A 28 0.035 9.906 -4.765 1.00 0.00 C ATOM 0 H VAL A 28 0.982 11.864 -6.834 1.00 0.00 H new ATOM 0 HA VAL A 28 0.605 12.488 -3.999 1.00 0.00 H new ATOM 0 HB VAL A 28 2.052 10.190 -5.385 1.00 0.00 H new ATOM 0 HG11 VAL A 28 2.088 9.146 -3.156 1.00 0.00 H new ATOM 0 HG12 VAL A 28 3.000 10.674 -3.185 1.00 0.00 H new ATOM 0 HG13 VAL A 28 1.377 10.621 -2.458 1.00 0.00 H new ATOM 0 HG21 VAL A 28 0.141 8.828 -4.645 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -0.649 10.290 -4.008 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -0.362 10.123 -5.757 1.00 0.00 H new ATOM 534 N LEU A 29 2.895 13.320 -3.452 1.00 0.00 N ATOM 535 CA LEU A 29 4.176 13.960 -3.175 1.00 0.00 C ATOM 536 C LEU A 29 5.101 13.020 -2.409 1.00 0.00 C ATOM 537 O LEU A 29 6.174 12.661 -2.893 1.00 0.00 O ATOM 538 CB LEU A 29 3.963 15.247 -2.375 1.00 0.00 C ATOM 539 CG LEU A 29 2.857 16.175 -2.879 1.00 0.00 C ATOM 540 CD1 LEU A 29 2.688 17.362 -1.944 1.00 0.00 C ATOM 541 CD2 LEU A 29 3.159 16.647 -4.294 1.00 0.00 C ATOM 0 H LEU A 29 2.224 13.370 -2.685 1.00 0.00 H new ATOM 0 HA LEU A 29 4.645 14.204 -4.128 1.00 0.00 H new ATOM 0 HB2 LEU A 29 3.741 14.977 -1.343 1.00 0.00 H new ATOM 0 HB3 LEU A 29 4.900 15.804 -2.364 1.00 0.00 H new ATOM 0 HG LEU A 29 1.921 15.616 -2.896 1.00 0.00 H new ATOM 0 HD11 LEU A 29 1.897 18.011 -2.319 1.00 0.00 H new ATOM 0 HD12 LEU A 29 2.424 17.006 -0.948 1.00 0.00 H new ATOM 0 HD13 LEU A 29 3.622 17.921 -1.893 1.00 0.00 H new ATOM 0 HD21 LEU A 29 2.361 17.306 -4.636 1.00 0.00 H new ATOM 0 HD22 LEU A 29 4.105 17.188 -4.303 1.00 0.00 H new ATOM 0 HD23 LEU A 29 3.227 15.785 -4.958 1.00 0.00 H new ATOM 553 N GLU A 30 4.676 12.624 -1.214 1.00 0.00 N ATOM 554 CA GLU A 30 5.467 11.723 -0.383 1.00 0.00 C ATOM 555 C GLU A 30 4.837 10.334 -0.333 1.00 0.00 C ATOM 556 O GLU A 30 3.613 10.196 -0.339 1.00 0.00 O ATOM 557 CB GLU A 30 5.600 12.286 1.034 1.00 0.00 C ATOM 558 CG GLU A 30 6.640 13.387 1.157 1.00 0.00 C ATOM 559 CD GLU A 30 7.276 13.437 2.532 1.00 0.00 C ATOM 560 OE1 GLU A 30 7.878 12.424 2.945 1.00 0.00 O ATOM 561 OE2 GLU A 30 7.172 14.490 3.196 1.00 0.00 O ATOM 0 H GLU A 30 3.790 12.912 -0.799 1.00 0.00 H new ATOM 0 HA GLU A 30 6.459 11.637 -0.827 1.00 0.00 H new ATOM 0 HB2 GLU A 30 4.633 12.674 1.354 1.00 0.00 H new ATOM 0 HB3 GLU A 30 5.859 11.475 1.715 1.00 0.00 H new ATOM 0 HG2 GLU A 30 7.416 13.234 0.407 1.00 0.00 H new ATOM 0 HG3 GLU A 30 6.173 14.348 0.941 1.00 0.00 H new ATOM 568 N CYS A 31 5.681 9.310 -0.285 1.00 0.00 N ATOM 569 CA CYS A 31 5.208 7.931 -0.236 1.00 0.00 C ATOM 570 C CYS A 31 6.201 7.042 0.506 1.00 0.00 C ATOM 571 O CYS A 31 7.274 6.729 -0.009 1.00 0.00 O ATOM 572 CB CYS A 31 4.983 7.396 -1.651 1.00 0.00 C ATOM 573 SG CYS A 31 3.916 5.939 -1.729 1.00 0.00 S ATOM 0 H CYS A 31 6.696 9.408 -0.279 1.00 0.00 H new ATOM 0 HA CYS A 31 4.261 7.916 0.304 1.00 0.00 H new ATOM 0 HB2 CYS A 31 4.546 8.186 -2.261 1.00 0.00 H new ATOM 0 HB3 CYS A 31 5.949 7.150 -2.092 1.00 0.00 H new ATOM 0 HG CYS A 31 4.244 5.215 -2.758 1.00 0.00 H new ATOM 579 N ASP A 32 5.835 6.639 1.718 1.00 0.00 N ATOM 580 CA ASP A 32 6.694 5.786 2.531 1.00 0.00 C ATOM 581 C ASP A 32 5.939 4.547 3.003 1.00 0.00 C ATOM 582 O ASP A 32 4.708 4.528 3.021 1.00 0.00 O ATOM 583 CB ASP A 32 7.228 6.563 3.735 1.00 0.00 C ATOM 584 CG ASP A 32 6.117 7.102 4.615 1.00 0.00 C ATOM 585 OD1 ASP A 32 5.163 6.347 4.896 1.00 0.00 O ATOM 586 OD2 ASP A 32 6.200 8.280 5.022 1.00 0.00 O ATOM 0 H ASP A 32 4.950 6.889 2.159 1.00 0.00 H new ATOM 0 HA ASP A 32 7.534 5.465 1.915 1.00 0.00 H new ATOM 0 HB2 ASP A 32 7.873 5.913 4.326 1.00 0.00 H new ATOM 0 HB3 ASP A 32 7.845 7.391 3.385 1.00 0.00 H new ATOM 591 N ILE A 33 6.685 3.515 3.384 1.00 0.00 N ATOM 592 CA ILE A 33 6.086 2.273 3.856 1.00 0.00 C ATOM 593 C ILE A 33 6.919 1.650 4.970 1.00 0.00 C ATOM 594 O ILE A 33 7.978 1.074 4.718 1.00 0.00 O ATOM 595 CB ILE A 33 5.931 1.253 2.713 1.00 0.00 C ATOM 596 CG1 ILE A 33 5.033 1.820 1.611 1.00 0.00 C ATOM 597 CG2 ILE A 33 5.366 -0.056 3.244 1.00 0.00 C ATOM 598 CD1 ILE A 33 4.854 0.884 0.436 1.00 0.00 C ATOM 0 H ILE A 33 7.705 3.515 3.375 1.00 0.00 H new ATOM 0 HA ILE A 33 5.099 2.525 4.242 1.00 0.00 H new ATOM 0 HB ILE A 33 6.915 1.055 2.287 1.00 0.00 H new ATOM 0 HG12 ILE A 33 4.055 2.051 2.033 1.00 0.00 H new ATOM 0 HG13 ILE A 33 5.457 2.759 1.256 1.00 0.00 H new ATOM 0 HG21 ILE A 33 5.262 -0.767 2.424 1.00 0.00 H new ATOM 0 HG22 ILE A 33 6.041 -0.465 3.996 1.00 0.00 H new ATOM 0 HG23 ILE A 33 4.389 0.125 3.693 1.00 0.00 H new ATOM 0 HD11 ILE A 33 4.206 1.351 -0.306 1.00 0.00 H new ATOM 0 HD12 ILE A 33 5.825 0.672 -0.012 1.00 0.00 H new ATOM 0 HD13 ILE A 33 4.402 -0.047 0.778 1.00 0.00 H new ATOM 610 N ILE A 34 6.433 1.766 6.201 1.00 0.00 N ATOM 611 CA ILE A 34 7.131 1.211 7.353 1.00 0.00 C ATOM 612 C ILE A 34 6.147 0.722 8.410 1.00 0.00 C ATOM 613 O ILE A 34 4.989 1.141 8.438 1.00 0.00 O ATOM 614 CB ILE A 34 8.078 2.246 7.990 1.00 0.00 C ATOM 615 CG1 ILE A 34 8.781 3.062 6.903 1.00 0.00 C ATOM 616 CG2 ILE A 34 9.097 1.553 8.882 1.00 0.00 C ATOM 617 CD1 ILE A 34 9.415 4.335 7.419 1.00 0.00 C ATOM 0 H ILE A 34 5.558 2.240 6.426 1.00 0.00 H new ATOM 0 HA ILE A 34 7.718 0.368 6.989 1.00 0.00 H new ATOM 0 HB ILE A 34 7.489 2.926 8.605 1.00 0.00 H new ATOM 0 HG12 ILE A 34 9.550 2.446 6.437 1.00 0.00 H new ATOM 0 HG13 ILE A 34 8.060 3.314 6.125 1.00 0.00 H new ATOM 0 HG21 ILE A 34 9.759 2.297 9.325 1.00 0.00 H new ATOM 0 HG22 ILE A 34 8.579 1.011 9.673 1.00 0.00 H new ATOM 0 HG23 ILE A 34 9.684 0.853 8.288 1.00 0.00 H new ATOM 0 HD11 ILE A 34 9.895 4.863 6.595 1.00 0.00 H new ATOM 0 HD12 ILE A 34 8.647 4.971 7.859 1.00 0.00 H new ATOM 0 HD13 ILE A 34 10.160 4.090 8.176 1.00 0.00 H new ATOM 629 N LYS A 35 6.614 -0.166 9.281 1.00 0.00 N ATOM 630 CA LYS A 35 5.777 -0.711 10.343 1.00 0.00 C ATOM 631 C LYS A 35 4.420 -1.145 9.798 1.00 0.00 C ATOM 632 O LYS A 35 3.378 -0.777 10.337 1.00 0.00 O ATOM 633 CB LYS A 35 5.585 0.326 11.452 1.00 0.00 C ATOM 634 CG LYS A 35 6.678 0.299 12.506 1.00 0.00 C ATOM 635 CD LYS A 35 6.156 0.745 13.862 1.00 0.00 C ATOM 636 CE LYS A 35 7.279 1.260 14.749 1.00 0.00 C ATOM 637 NZ LYS A 35 7.744 2.611 14.327 1.00 0.00 N ATOM 0 H LYS A 35 7.569 -0.524 9.272 1.00 0.00 H new ATOM 0 HA LYS A 35 6.280 -1.586 10.755 1.00 0.00 H new ATOM 0 HB2 LYS A 35 5.547 1.320 11.006 1.00 0.00 H new ATOM 0 HB3 LYS A 35 4.622 0.156 11.934 1.00 0.00 H new ATOM 0 HG2 LYS A 35 7.084 -0.710 12.585 1.00 0.00 H new ATOM 0 HG3 LYS A 35 7.497 0.949 12.199 1.00 0.00 H new ATOM 0 HD2 LYS A 35 5.410 1.528 13.726 1.00 0.00 H new ATOM 0 HD3 LYS A 35 5.656 -0.090 14.353 1.00 0.00 H new ATOM 0 HE2 LYS A 35 6.936 1.301 15.783 1.00 0.00 H new ATOM 0 HE3 LYS A 35 8.116 0.562 14.718 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 8.344 3.020 15.071 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 8.291 2.530 13.446 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 6.921 3.227 14.168 1.00 0.00 H new ATOM 651 N ASN A 36 4.442 -1.931 8.726 1.00 0.00 N ATOM 652 CA ASN A 36 3.213 -2.416 8.109 1.00 0.00 C ATOM 653 C ASN A 36 2.254 -1.263 7.827 1.00 0.00 C ATOM 654 O ASN A 36 1.038 -1.449 7.788 1.00 0.00 O ATOM 655 CB ASN A 36 2.536 -3.448 9.014 1.00 0.00 C ATOM 656 CG ASN A 36 3.536 -4.268 9.804 1.00 0.00 C ATOM 657 OD1 ASN A 36 4.023 -5.296 9.333 1.00 0.00 O ATOM 658 ND2 ASN A 36 3.847 -3.817 11.014 1.00 0.00 N ATOM 0 H ASN A 36 5.297 -2.245 8.267 1.00 0.00 H new ATOM 0 HA ASN A 36 3.473 -2.889 7.162 1.00 0.00 H new ATOM 0 HB2 ASN A 36 1.864 -2.937 9.703 1.00 0.00 H new ATOM 0 HB3 ASN A 36 1.924 -4.114 8.406 1.00 0.00 H new ATOM 0 HD21 ASN A 36 4.514 -4.328 11.593 1.00 0.00 H new ATOM 0 HD22 ASN A 36 3.419 -2.960 11.364 1.00 0.00 H new ATOM 665 N TYR A 37 2.811 -0.073 7.630 1.00 0.00 N ATOM 666 CA TYR A 37 2.006 1.110 7.353 1.00 0.00 C ATOM 667 C TYR A 37 2.660 1.975 6.279 1.00 0.00 C ATOM 668 O TYR A 37 3.866 1.895 6.051 1.00 0.00 O ATOM 669 CB TYR A 37 1.807 1.928 8.631 1.00 0.00 C ATOM 670 CG TYR A 37 2.968 2.843 8.951 1.00 0.00 C ATOM 671 CD1 TYR A 37 3.276 3.920 8.129 1.00 0.00 C ATOM 672 CD2 TYR A 37 3.757 2.629 10.074 1.00 0.00 C ATOM 673 CE1 TYR A 37 4.335 4.758 8.417 1.00 0.00 C ATOM 674 CE2 TYR A 37 4.818 3.463 10.371 1.00 0.00 C ATOM 675 CZ TYR A 37 5.103 4.526 9.539 1.00 0.00 C ATOM 676 OH TYR A 37 6.160 5.358 9.830 1.00 0.00 O ATOM 0 H TYR A 37 3.816 0.097 7.657 1.00 0.00 H new ATOM 0 HA TYR A 37 1.034 0.779 6.986 1.00 0.00 H new ATOM 0 HB2 TYR A 37 0.901 2.526 8.533 1.00 0.00 H new ATOM 0 HB3 TYR A 37 1.651 1.247 9.468 1.00 0.00 H new ATOM 0 HD1 TYR A 37 2.677 4.105 7.250 1.00 0.00 H new ATOM 0 HD2 TYR A 37 3.537 1.797 10.726 1.00 0.00 H new ATOM 0 HE1 TYR A 37 4.561 5.591 7.767 1.00 0.00 H new ATOM 0 HE2 TYR A 37 5.421 3.284 11.249 1.00 0.00 H new ATOM 0 HH TYR A 37 6.596 5.057 10.654 1.00 0.00 H new ATOM 686 N GLY A 38 1.852 2.802 5.622 1.00 0.00 N ATOM 687 CA GLY A 38 2.368 3.671 4.580 1.00 0.00 C ATOM 688 C GLY A 38 1.742 5.050 4.612 1.00 0.00 C ATOM 689 O GLY A 38 0.544 5.191 4.860 1.00 0.00 O ATOM 0 H GLY A 38 0.850 2.886 5.793 1.00 0.00 H new ATOM 0 HA2 GLY A 38 3.448 3.763 4.690 1.00 0.00 H new ATOM 0 HA3 GLY A 38 2.185 3.215 3.607 1.00 0.00 H new ATOM 693 N PHE A 39 2.553 6.073 4.363 1.00 0.00 N ATOM 694 CA PHE A 39 2.072 7.449 4.367 1.00 0.00 C ATOM 695 C PHE A 39 2.038 8.018 2.951 1.00 0.00 C ATOM 696 O PHE A 39 2.977 7.838 2.175 1.00 0.00 O ATOM 697 CB PHE A 39 2.960 8.320 5.257 1.00 0.00 C ATOM 698 CG PHE A 39 2.872 7.973 6.716 1.00 0.00 C ATOM 699 CD1 PHE A 39 1.645 7.715 7.307 1.00 0.00 C ATOM 700 CD2 PHE A 39 4.015 7.903 7.495 1.00 0.00 C ATOM 701 CE1 PHE A 39 1.561 7.395 8.649 1.00 0.00 C ATOM 702 CE2 PHE A 39 3.936 7.583 8.838 1.00 0.00 C ATOM 703 CZ PHE A 39 2.708 7.329 9.415 1.00 0.00 C ATOM 0 H PHE A 39 3.547 5.975 4.156 1.00 0.00 H new ATOM 0 HA PHE A 39 1.057 7.451 4.765 1.00 0.00 H new ATOM 0 HB2 PHE A 39 3.995 8.222 4.930 1.00 0.00 H new ATOM 0 HB3 PHE A 39 2.681 9.365 5.123 1.00 0.00 H new ATOM 0 HD1 PHE A 39 0.745 7.765 6.712 1.00 0.00 H new ATOM 0 HD2 PHE A 39 4.978 8.100 7.049 1.00 0.00 H new ATOM 0 HE1 PHE A 39 0.599 7.197 9.098 1.00 0.00 H new ATOM 0 HE2 PHE A 39 4.835 7.532 9.435 1.00 0.00 H new ATOM 0 HZ PHE A 39 2.644 7.079 10.464 1.00 0.00 H new ATOM 713 N VAL A 40 0.949 8.705 2.621 1.00 0.00 N ATOM 714 CA VAL A 40 0.791 9.301 1.300 1.00 0.00 C ATOM 715 C VAL A 40 0.340 10.753 1.402 1.00 0.00 C ATOM 716 O VAL A 40 -0.779 11.038 1.829 1.00 0.00 O ATOM 717 CB VAL A 40 -0.225 8.517 0.449 1.00 0.00 C ATOM 718 CG1 VAL A 40 -0.412 9.182 -0.907 1.00 0.00 C ATOM 719 CG2 VAL A 40 0.218 7.071 0.286 1.00 0.00 C ATOM 0 H VAL A 40 0.163 8.863 3.251 1.00 0.00 H new ATOM 0 HA VAL A 40 1.767 9.261 0.816 1.00 0.00 H new ATOM 0 HB VAL A 40 -1.185 8.522 0.965 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -1.133 8.614 -1.494 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -0.779 10.199 -0.766 1.00 0.00 H new ATOM 0 HG13 VAL A 40 0.542 9.210 -1.433 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -0.512 6.533 -0.318 1.00 0.00 H new ATOM 0 HG22 VAL A 40 1.190 7.042 -0.207 1.00 0.00 H new ATOM 0 HG23 VAL A 40 0.295 6.601 1.267 1.00 0.00 H new ATOM 729 N HIS A 41 1.219 11.669 1.008 1.00 0.00 N ATOM 730 CA HIS A 41 0.910 13.094 1.054 1.00 0.00 C ATOM 731 C HIS A 41 0.362 13.575 -0.287 1.00 0.00 C ATOM 732 O HIS A 41 1.123 13.873 -1.208 1.00 0.00 O ATOM 733 CB HIS A 41 2.158 13.896 1.424 1.00 0.00 C ATOM 734 CG HIS A 41 2.781 13.471 2.718 1.00 0.00 C ATOM 735 ND1 HIS A 41 3.228 14.365 3.668 1.00 0.00 N ATOM 736 CD2 HIS A 41 3.029 12.237 3.219 1.00 0.00 C ATOM 737 CE1 HIS A 41 3.725 13.700 4.696 1.00 0.00 C ATOM 738 NE2 HIS A 41 3.616 12.407 4.448 1.00 0.00 N ATOM 0 H HIS A 41 2.150 11.450 0.654 1.00 0.00 H new ATOM 0 HA HIS A 41 0.147 13.250 1.816 1.00 0.00 H new ATOM 0 HB2 HIS A 41 2.894 13.796 0.626 1.00 0.00 H new ATOM 0 HB3 HIS A 41 1.896 14.952 1.486 1.00 0.00 H new ATOM 0 HD1 HIS A 41 3.182 15.381 3.589 1.00 0.00 H new ATOM 0 HD2 HIS A 41 2.806 11.295 2.740 1.00 0.00 H new ATOM 0 HE1 HIS A 41 4.148 14.139 5.587 1.00 0.00 H new ATOM 746 N ILE A 42 -0.961 13.647 -0.387 1.00 0.00 N ATOM 747 CA ILE A 42 -1.610 14.092 -1.614 1.00 0.00 C ATOM 748 C ILE A 42 -1.500 15.604 -1.778 1.00 0.00 C ATOM 749 O ILE A 42 -1.317 16.331 -0.802 1.00 0.00 O ATOM 750 CB ILE A 42 -3.096 13.691 -1.642 1.00 0.00 C ATOM 751 CG1 ILE A 42 -3.625 13.708 -3.078 1.00 0.00 C ATOM 752 CG2 ILE A 42 -3.913 14.623 -0.760 1.00 0.00 C ATOM 753 CD1 ILE A 42 -4.885 12.893 -3.268 1.00 0.00 C ATOM 0 H ILE A 42 -1.604 13.403 0.366 1.00 0.00 H new ATOM 0 HA ILE A 42 -1.094 13.601 -2.439 1.00 0.00 H new ATOM 0 HB ILE A 42 -3.191 12.678 -1.252 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -3.821 14.739 -3.372 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -2.852 13.328 -3.746 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -4.961 14.327 -0.790 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -3.549 14.565 0.266 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -3.815 15.646 -1.123 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -5.202 12.951 -4.309 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -4.689 11.853 -3.006 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -5.673 13.287 -2.626 1.00 0.00 H new ATOM 765 N GLU A 43 -1.614 16.070 -3.018 1.00 0.00 N ATOM 766 CA GLU A 43 -1.528 17.496 -3.308 1.00 0.00 C ATOM 767 C GLU A 43 -2.646 18.263 -2.607 1.00 0.00 C ATOM 768 O GLU A 43 -2.406 18.984 -1.638 1.00 0.00 O ATOM 769 CB GLU A 43 -1.599 17.737 -4.817 1.00 0.00 C ATOM 770 CG GLU A 43 -2.205 19.080 -5.192 1.00 0.00 C ATOM 771 CD GLU A 43 -1.690 19.602 -6.519 1.00 0.00 C ATOM 772 OE1 GLU A 43 -0.487 19.930 -6.600 1.00 0.00 O ATOM 773 OE2 GLU A 43 -2.488 19.684 -7.475 1.00 0.00 O ATOM 0 H GLU A 43 -1.766 15.481 -3.837 1.00 0.00 H new ATOM 0 HA GLU A 43 -0.571 17.859 -2.933 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -0.594 17.672 -5.234 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -2.187 16.942 -5.276 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -3.290 18.984 -5.240 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -1.983 19.806 -4.410 1.00 0.00 H new ATOM 780 N ASP A 44 -3.868 18.101 -3.103 1.00 0.00 N ATOM 781 CA ASP A 44 -5.024 18.777 -2.525 1.00 0.00 C ATOM 782 C ASP A 44 -5.816 17.828 -1.631 1.00 0.00 C ATOM 783 O ASP A 44 -5.839 16.618 -1.857 1.00 0.00 O ATOM 784 CB ASP A 44 -5.925 19.328 -3.631 1.00 0.00 C ATOM 785 CG ASP A 44 -5.213 20.339 -4.508 1.00 0.00 C ATOM 786 OD1 ASP A 44 -4.339 21.063 -3.988 1.00 0.00 O ATOM 787 OD2 ASP A 44 -5.532 20.408 -5.713 1.00 0.00 O ATOM 0 H ASP A 44 -4.084 17.507 -3.904 1.00 0.00 H new ATOM 0 HA ASP A 44 -4.663 19.606 -1.916 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -6.283 18.504 -4.248 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -6.802 19.794 -3.182 1.00 0.00 H new ATOM 792 N LYS A 45 -6.465 18.385 -0.614 1.00 0.00 N ATOM 793 CA LYS A 45 -7.259 17.591 0.315 1.00 0.00 C ATOM 794 C LYS A 45 -8.382 16.861 -0.415 1.00 0.00 C ATOM 795 O LYS A 45 -8.451 15.632 -0.401 1.00 0.00 O ATOM 796 CB LYS A 45 -7.845 18.484 1.411 1.00 0.00 C ATOM 797 CG LYS A 45 -8.905 17.796 2.255 1.00 0.00 C ATOM 798 CD LYS A 45 -9.450 18.723 3.329 1.00 0.00 C ATOM 799 CE LYS A 45 -10.582 19.587 2.796 1.00 0.00 C ATOM 800 NZ LYS A 45 -11.174 20.444 3.861 1.00 0.00 N ATOM 0 H LYS A 45 -6.456 19.385 -0.412 1.00 0.00 H new ATOM 0 HA LYS A 45 -6.603 16.849 0.771 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -7.039 18.823 2.061 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -8.279 19.372 0.951 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -9.721 17.461 1.614 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -8.480 16.907 2.721 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -9.807 18.133 4.173 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -8.649 19.361 3.702 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -10.209 20.217 1.988 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -11.357 18.949 2.371 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -11.942 21.018 3.458 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -11.553 19.842 4.620 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -10.441 21.071 4.250 1.00 0.00 H new ATOM 814 N THR A 46 -9.261 17.626 -1.055 1.00 0.00 N ATOM 815 CA THR A 46 -10.381 17.053 -1.792 1.00 0.00 C ATOM 816 C THR A 46 -9.949 15.819 -2.576 1.00 0.00 C ATOM 817 O THR A 46 -10.697 14.848 -2.685 1.00 0.00 O ATOM 818 CB THR A 46 -10.996 18.076 -2.765 1.00 0.00 C ATOM 819 OG1 THR A 46 -11.437 19.233 -2.045 1.00 0.00 O ATOM 820 CG2 THR A 46 -12.167 17.467 -3.521 1.00 0.00 C ATOM 0 H THR A 46 -9.219 18.645 -1.078 1.00 0.00 H new ATOM 0 HA THR A 46 -11.131 16.768 -1.055 1.00 0.00 H new ATOM 0 HB THR A 46 -10.230 18.366 -3.485 1.00 0.00 H new ATOM 0 HG1 THR A 46 -11.825 19.879 -2.671 1.00 0.00 H new ATOM 0 HG21 THR A 46 -12.585 18.208 -4.202 1.00 0.00 H new ATOM 0 HG22 THR A 46 -11.823 16.604 -4.091 1.00 0.00 H new ATOM 0 HG23 THR A 46 -12.933 17.152 -2.813 1.00 0.00 H new ATOM 828 N ALA A 47 -8.737 15.864 -3.120 1.00 0.00 N ATOM 829 CA ALA A 47 -8.204 14.748 -3.892 1.00 0.00 C ATOM 830 C ALA A 47 -8.196 13.465 -3.068 1.00 0.00 C ATOM 831 O ALA A 47 -8.527 12.391 -3.571 1.00 0.00 O ATOM 832 CB ALA A 47 -6.801 15.070 -4.385 1.00 0.00 C ATOM 0 H ALA A 47 -8.106 16.661 -3.040 1.00 0.00 H new ATOM 0 HA ALA A 47 -8.853 14.591 -4.754 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -6.415 14.228 -4.960 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -6.832 15.957 -5.017 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -6.149 15.256 -3.531 1.00 0.00 H new ATOM 838 N ALA A 48 -7.817 13.584 -1.800 1.00 0.00 N ATOM 839 CA ALA A 48 -7.767 12.433 -0.906 1.00 0.00 C ATOM 840 C ALA A 48 -9.137 11.776 -0.781 1.00 0.00 C ATOM 841 O ALA A 48 -9.338 10.648 -1.231 1.00 0.00 O ATOM 842 CB ALA A 48 -7.252 12.850 0.463 1.00 0.00 C ATOM 0 H ALA A 48 -7.540 14.466 -1.368 1.00 0.00 H new ATOM 0 HA ALA A 48 -7.080 11.702 -1.333 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -7.220 11.981 1.120 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -6.250 13.267 0.363 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -7.917 13.602 0.888 1.00 0.00 H new ATOM 848 N GLU A 49 -10.076 12.488 -0.166 1.00 0.00 N ATOM 849 CA GLU A 49 -11.427 11.972 0.019 1.00 0.00 C ATOM 850 C GLU A 49 -11.858 11.132 -1.180 1.00 0.00 C ATOM 851 O GLU A 49 -12.458 10.069 -1.023 1.00 0.00 O ATOM 852 CB GLU A 49 -12.413 13.123 0.230 1.00 0.00 C ATOM 853 CG GLU A 49 -12.289 13.790 1.590 1.00 0.00 C ATOM 854 CD GLU A 49 -13.036 15.107 1.664 1.00 0.00 C ATOM 855 OE1 GLU A 49 -14.247 15.121 1.360 1.00 0.00 O ATOM 856 OE2 GLU A 49 -12.409 16.124 2.028 1.00 0.00 O ATOM 0 H GLU A 49 -9.926 13.423 0.212 1.00 0.00 H new ATOM 0 HA GLU A 49 -11.427 11.337 0.905 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -12.257 13.871 -0.548 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -13.429 12.746 0.111 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -12.671 13.116 2.357 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -11.236 13.961 1.812 1.00 0.00 H new ATOM 863 N ASP A 50 -11.548 11.618 -2.377 1.00 0.00 N ATOM 864 CA ASP A 50 -11.902 10.913 -3.604 1.00 0.00 C ATOM 865 C ASP A 50 -11.253 9.533 -3.644 1.00 0.00 C ATOM 866 O ASP A 50 -11.912 8.535 -3.935 1.00 0.00 O ATOM 867 CB ASP A 50 -11.475 11.727 -4.826 1.00 0.00 C ATOM 868 CG ASP A 50 -12.555 12.685 -5.290 1.00 0.00 C ATOM 869 OD1 ASP A 50 -13.619 12.208 -5.738 1.00 0.00 O ATOM 870 OD2 ASP A 50 -12.337 13.911 -5.204 1.00 0.00 O ATOM 0 H ASP A 50 -11.052 12.497 -2.524 1.00 0.00 H new ATOM 0 HA ASP A 50 -12.984 10.786 -3.622 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -10.573 12.290 -4.587 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -11.221 11.048 -5.640 1.00 0.00 H new ATOM 875 N ALA A 51 -9.958 9.486 -3.351 1.00 0.00 N ATOM 876 CA ALA A 51 -9.220 8.228 -3.353 1.00 0.00 C ATOM 877 C ALA A 51 -9.531 7.408 -2.106 1.00 0.00 C ATOM 878 O ALA A 51 -9.969 6.261 -2.200 1.00 0.00 O ATOM 879 CB ALA A 51 -7.725 8.494 -3.454 1.00 0.00 C ATOM 0 H ALA A 51 -9.398 10.304 -3.109 1.00 0.00 H new ATOM 0 HA ALA A 51 -9.535 7.651 -4.223 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -7.186 7.547 -3.454 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -7.513 9.033 -4.378 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -7.404 9.094 -2.602 1.00 0.00 H new ATOM 885 N ILE A 52 -9.300 8.001 -0.940 1.00 0.00 N ATOM 886 CA ILE A 52 -9.557 7.324 0.325 1.00 0.00 C ATOM 887 C ILE A 52 -10.815 6.466 0.245 1.00 0.00 C ATOM 888 O ILE A 52 -10.755 5.244 0.382 1.00 0.00 O ATOM 889 CB ILE A 52 -9.708 8.330 1.481 1.00 0.00 C ATOM 890 CG1 ILE A 52 -8.432 9.161 1.634 1.00 0.00 C ATOM 891 CG2 ILE A 52 -10.031 7.603 2.778 1.00 0.00 C ATOM 892 CD1 ILE A 52 -8.565 10.296 2.625 1.00 0.00 C ATOM 0 H ILE A 52 -8.935 8.949 -0.845 1.00 0.00 H new ATOM 0 HA ILE A 52 -8.696 6.684 0.520 1.00 0.00 H new ATOM 0 HB ILE A 52 -10.533 9.004 1.250 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -7.618 8.508 1.949 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -8.155 9.569 0.662 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -10.135 8.328 3.585 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -10.964 7.052 2.663 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -9.226 6.908 3.016 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -7.623 10.842 2.682 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -9.356 10.972 2.300 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -8.811 9.894 3.608 1.00 0.00 H new ATOM 904 N ARG A 53 -11.953 7.114 0.019 1.00 0.00 N ATOM 905 CA ARG A 53 -13.226 6.411 -0.081 1.00 0.00 C ATOM 906 C ARG A 53 -13.056 5.080 -0.808 1.00 0.00 C ATOM 907 O ARG A 53 -13.251 4.014 -0.226 1.00 0.00 O ATOM 908 CB ARG A 53 -14.255 7.276 -0.812 1.00 0.00 C ATOM 909 CG ARG A 53 -15.692 6.975 -0.418 1.00 0.00 C ATOM 910 CD ARG A 53 -16.673 7.854 -1.179 1.00 0.00 C ATOM 911 NE ARG A 53 -17.980 7.218 -1.322 1.00 0.00 N ATOM 912 CZ ARG A 53 -18.842 7.076 -0.321 1.00 0.00 C ATOM 913 NH1 ARG A 53 -18.536 7.523 0.889 1.00 0.00 N ATOM 914 NH2 ARG A 53 -20.012 6.486 -0.530 1.00 0.00 N ATOM 0 H ARG A 53 -12.019 8.125 -0.098 1.00 0.00 H new ATOM 0 HA ARG A 53 -13.582 6.211 0.929 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -14.044 8.326 -0.610 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -14.143 7.129 -1.886 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -15.913 5.926 -0.615 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -15.817 7.131 0.653 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -16.787 8.805 -0.658 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -16.269 8.078 -2.166 1.00 0.00 H new ATOM 0 HE ARG A 53 -18.246 6.863 -2.241 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -17.637 7.977 1.053 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -19.199 7.413 1.656 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -20.250 6.141 -1.460 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -20.673 6.377 0.239 1.00 0.00 H new ATOM 928 N ASN A 54 -12.691 5.151 -2.084 1.00 0.00 N ATOM 929 CA ASN A 54 -12.496 3.952 -2.891 1.00 0.00 C ATOM 930 C ASN A 54 -11.393 3.076 -2.306 1.00 0.00 C ATOM 931 O ASN A 54 -11.658 1.996 -1.776 1.00 0.00 O ATOM 932 CB ASN A 54 -12.150 4.333 -4.332 1.00 0.00 C ATOM 933 CG ASN A 54 -13.359 4.822 -5.107 1.00 0.00 C ATOM 934 OD1 ASN A 54 -14.107 4.028 -5.677 1.00 0.00 O ATOM 935 ND2 ASN A 54 -13.555 6.135 -5.131 1.00 0.00 N ATOM 0 H ASN A 54 -12.524 6.026 -2.581 1.00 0.00 H new ATOM 0 HA ASN A 54 -13.427 3.385 -2.885 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -11.387 5.111 -4.326 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -11.721 3.469 -4.840 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -14.352 6.523 -5.636 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -12.909 6.756 -4.644 1.00 0.00 H new ATOM 942 N LEU A 55 -10.155 3.548 -2.405 1.00 0.00 N ATOM 943 CA LEU A 55 -9.010 2.809 -1.885 1.00 0.00 C ATOM 944 C LEU A 55 -9.387 2.040 -0.623 1.00 0.00 C ATOM 945 O LEU A 55 -8.891 0.938 -0.383 1.00 0.00 O ATOM 946 CB LEU A 55 -7.853 3.764 -1.588 1.00 0.00 C ATOM 947 CG LEU A 55 -7.040 4.230 -2.797 1.00 0.00 C ATOM 948 CD1 LEU A 55 -5.799 4.985 -2.347 1.00 0.00 C ATOM 949 CD2 LEU A 55 -6.657 3.044 -3.671 1.00 0.00 C ATOM 0 H LEU A 55 -9.919 4.439 -2.841 1.00 0.00 H new ATOM 0 HA LEU A 55 -8.695 2.093 -2.644 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -8.254 4.643 -1.084 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -7.176 3.276 -0.887 1.00 0.00 H new ATOM 0 HG LEU A 55 -7.658 4.907 -3.387 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -5.233 5.309 -3.221 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -6.095 5.857 -1.763 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -5.178 4.332 -1.734 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -6.079 3.394 -4.526 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -6.058 2.343 -3.090 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -7.560 2.545 -4.023 1.00 0.00 H new ATOM 961 N HIS A 56 -10.268 2.627 0.181 1.00 0.00 N ATOM 962 CA HIS A 56 -10.713 1.995 1.418 1.00 0.00 C ATOM 963 C HIS A 56 -11.210 0.577 1.156 1.00 0.00 C ATOM 964 O HIS A 56 -12.084 0.360 0.315 1.00 0.00 O ATOM 965 CB HIS A 56 -11.821 2.825 2.069 1.00 0.00 C ATOM 966 CG HIS A 56 -11.873 2.691 3.559 1.00 0.00 C ATOM 967 ND1 HIS A 56 -10.784 2.319 4.320 1.00 0.00 N ATOM 968 CD2 HIS A 56 -12.890 2.883 4.431 1.00 0.00 C ATOM 969 CE1 HIS A 56 -11.130 2.287 5.594 1.00 0.00 C ATOM 970 NE2 HIS A 56 -12.403 2.626 5.689 1.00 0.00 N ATOM 0 H HIS A 56 -10.688 3.539 -0.002 1.00 0.00 H new ATOM 0 HA HIS A 56 -9.862 1.942 2.097 1.00 0.00 H new ATOM 0 HB2 HIS A 56 -11.676 3.874 1.812 1.00 0.00 H new ATOM 0 HB3 HIS A 56 -12.782 2.524 1.652 1.00 0.00 H new ATOM 0 HD2 HIS A 56 -13.898 3.183 4.183 1.00 0.00 H new ATOM 0 HE1 HIS A 56 -10.482 2.028 6.418 1.00 0.00 H new ATOM 0 HE2 HIS A 56 -12.937 2.687 6.556 1.00 0.00 H new ATOM 978 N HIS A 57 -10.649 -0.385 1.880 1.00 0.00 N ATOM 979 CA HIS A 57 -11.035 -1.783 1.726 1.00 0.00 C ATOM 980 C HIS A 57 -10.742 -2.274 0.311 1.00 0.00 C ATOM 981 O HIS A 57 -11.430 -3.156 -0.205 1.00 0.00 O ATOM 982 CB HIS A 57 -12.520 -1.962 2.043 1.00 0.00 C ATOM 983 CG HIS A 57 -12.863 -1.688 3.475 1.00 0.00 C ATOM 984 ND1 HIS A 57 -13.817 -2.401 4.170 1.00 0.00 N ATOM 985 CD2 HIS A 57 -12.373 -0.772 4.343 1.00 0.00 C ATOM 986 CE1 HIS A 57 -13.900 -1.935 5.404 1.00 0.00 C ATOM 987 NE2 HIS A 57 -13.033 -0.947 5.535 1.00 0.00 N ATOM 0 H HIS A 57 -9.925 -0.222 2.580 1.00 0.00 H new ATOM 0 HA HIS A 57 -10.448 -2.376 2.427 1.00 0.00 H new ATOM 0 HB2 HIS A 57 -13.102 -1.297 1.405 1.00 0.00 H new ATOM 0 HB3 HIS A 57 -12.816 -2.981 1.796 1.00 0.00 H new ATOM 0 HD2 HIS A 57 -11.606 -0.040 4.137 1.00 0.00 H new ATOM 0 HE1 HIS A 57 -14.564 -2.300 6.174 1.00 0.00 H new ATOM 0 HE2 HIS A 57 -12.879 -0.402 6.384 1.00 0.00 H new ATOM 995 N TYR A 58 -9.720 -1.698 -0.310 1.00 0.00 N ATOM 996 CA TYR A 58 -9.339 -2.074 -1.666 1.00 0.00 C ATOM 997 C TYR A 58 -8.607 -3.413 -1.675 1.00 0.00 C ATOM 998 O TYR A 58 -7.958 -3.786 -0.697 1.00 0.00 O ATOM 999 CB TYR A 58 -8.454 -0.993 -2.289 1.00 0.00 C ATOM 1000 CG TYR A 58 -7.787 -1.423 -3.576 1.00 0.00 C ATOM 1001 CD1 TYR A 58 -6.589 -2.126 -3.560 1.00 0.00 C ATOM 1002 CD2 TYR A 58 -8.356 -1.127 -4.809 1.00 0.00 C ATOM 1003 CE1 TYR A 58 -5.976 -2.521 -4.733 1.00 0.00 C ATOM 1004 CE2 TYR A 58 -7.751 -1.518 -5.987 1.00 0.00 C ATOM 1005 CZ TYR A 58 -6.561 -2.214 -5.944 1.00 0.00 C ATOM 1006 OH TYR A 58 -5.954 -2.606 -7.116 1.00 0.00 O ATOM 0 H TYR A 58 -9.140 -0.968 0.104 1.00 0.00 H new ATOM 0 HA TYR A 58 -10.250 -2.174 -2.257 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -9.059 -0.107 -2.482 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -7.687 -0.705 -1.571 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -6.129 -2.368 -2.613 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -9.287 -0.582 -4.846 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -5.045 -3.067 -4.702 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -8.207 -1.280 -6.937 1.00 0.00 H new ATOM 0 HH TYR A 58 -6.495 -2.313 -7.879 1.00 0.00 H new ATOM 1016 N LYS A 59 -8.715 -4.132 -2.787 1.00 0.00 N ATOM 1017 CA LYS A 59 -8.063 -5.429 -2.926 1.00 0.00 C ATOM 1018 C LYS A 59 -6.684 -5.279 -3.561 1.00 0.00 C ATOM 1019 O LYS A 59 -6.565 -5.075 -4.770 1.00 0.00 O ATOM 1020 CB LYS A 59 -8.926 -6.368 -3.771 1.00 0.00 C ATOM 1021 CG LYS A 59 -8.557 -7.834 -3.620 1.00 0.00 C ATOM 1022 CD LYS A 59 -9.515 -8.732 -4.385 1.00 0.00 C ATOM 1023 CE LYS A 59 -8.957 -10.138 -4.540 1.00 0.00 C ATOM 1024 NZ LYS A 59 -9.776 -10.960 -5.473 1.00 0.00 N ATOM 0 H LYS A 59 -9.248 -3.838 -3.606 1.00 0.00 H new ATOM 0 HA LYS A 59 -7.941 -5.855 -1.930 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -9.972 -6.235 -3.494 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -8.836 -6.085 -4.820 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -7.541 -7.993 -3.981 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -8.567 -8.106 -2.564 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -10.471 -8.774 -3.863 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -9.708 -8.305 -5.369 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -7.932 -10.084 -4.908 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -8.920 -10.624 -3.565 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -9.363 -11.911 -5.552 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -10.748 -11.033 -5.109 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -9.790 -10.510 -6.411 1.00 0.00 H new ATOM 1038 N LEU A 60 -5.645 -5.383 -2.740 1.00 0.00 N ATOM 1039 CA LEU A 60 -4.274 -5.261 -3.223 1.00 0.00 C ATOM 1040 C LEU A 60 -3.484 -6.536 -2.947 1.00 0.00 C ATOM 1041 O LEU A 60 -2.863 -6.679 -1.893 1.00 0.00 O ATOM 1042 CB LEU A 60 -3.584 -4.067 -2.560 1.00 0.00 C ATOM 1043 CG LEU A 60 -2.263 -3.622 -3.188 1.00 0.00 C ATOM 1044 CD1 LEU A 60 -2.505 -2.979 -4.544 1.00 0.00 C ATOM 1045 CD2 LEU A 60 -1.530 -2.661 -2.263 1.00 0.00 C ATOM 0 H LEU A 60 -5.726 -5.551 -1.737 1.00 0.00 H new ATOM 0 HA LEU A 60 -4.307 -5.102 -4.301 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -4.272 -3.222 -2.573 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -3.401 -4.313 -1.514 1.00 0.00 H new ATOM 0 HG LEU A 60 -1.638 -4.503 -3.334 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -1.553 -2.669 -4.975 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -2.986 -3.698 -5.207 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -3.150 -2.108 -4.424 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -0.592 -2.355 -2.726 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -2.151 -1.783 -2.085 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -1.322 -3.156 -1.315 1.00 0.00 H new ATOM 1057 N HIS A 61 -3.510 -7.460 -3.902 1.00 0.00 N ATOM 1058 CA HIS A 61 -2.793 -8.723 -3.764 1.00 0.00 C ATOM 1059 C HIS A 61 -3.506 -9.647 -2.780 1.00 0.00 C ATOM 1060 O HIS A 61 -2.876 -10.250 -1.912 1.00 0.00 O ATOM 1061 CB HIS A 61 -1.359 -8.472 -3.298 1.00 0.00 C ATOM 1062 CG HIS A 61 -0.693 -7.328 -4.000 1.00 0.00 C ATOM 1063 ND1 HIS A 61 -0.637 -7.217 -5.373 1.00 0.00 N ATOM 1064 CD2 HIS A 61 -0.055 -6.240 -3.509 1.00 0.00 C ATOM 1065 CE1 HIS A 61 0.009 -6.111 -5.697 1.00 0.00 C ATOM 1066 NE2 HIS A 61 0.372 -5.499 -4.584 1.00 0.00 N ATOM 0 H HIS A 61 -4.020 -7.358 -4.780 1.00 0.00 H new ATOM 0 HA HIS A 61 -2.770 -9.208 -4.740 1.00 0.00 H new ATOM 0 HB2 HIS A 61 -1.363 -8.277 -2.226 1.00 0.00 H new ATOM 0 HB3 HIS A 61 -0.771 -9.376 -3.455 1.00 0.00 H new ATOM 0 HD2 HIS A 61 0.091 -5.999 -2.466 1.00 0.00 H new ATOM 0 HE1 HIS A 61 0.207 -5.766 -6.701 1.00 0.00 H new ATOM 0 HE2 HIS A 61 0.886 -4.619 -4.531 1.00 0.00 H new ATOM 1074 N GLY A 62 -4.823 -9.751 -2.921 1.00 0.00 N ATOM 1075 CA GLY A 62 -5.599 -10.602 -2.038 1.00 0.00 C ATOM 1076 C GLY A 62 -5.600 -10.104 -0.607 1.00 0.00 C ATOM 1077 O GLY A 62 -5.553 -10.896 0.334 1.00 0.00 O ATOM 0 H GLY A 62 -5.367 -9.261 -3.631 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -6.625 -10.657 -2.401 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -5.196 -11.614 -2.067 1.00 0.00 H new ATOM 1081 N VAL A 63 -5.652 -8.786 -0.440 1.00 0.00 N ATOM 1082 CA VAL A 63 -5.658 -8.183 0.887 1.00 0.00 C ATOM 1083 C VAL A 63 -6.623 -7.004 0.951 1.00 0.00 C ATOM 1084 O VAL A 63 -6.868 -6.335 -0.051 1.00 0.00 O ATOM 1085 CB VAL A 63 -4.251 -7.702 1.291 1.00 0.00 C ATOM 1086 CG1 VAL A 63 -3.923 -6.381 0.613 1.00 0.00 C ATOM 1087 CG2 VAL A 63 -4.147 -7.575 2.804 1.00 0.00 C ATOM 0 H VAL A 63 -5.691 -8.116 -1.208 1.00 0.00 H new ATOM 0 HA VAL A 63 -5.985 -8.955 1.584 1.00 0.00 H new ATOM 0 HB VAL A 63 -3.523 -8.443 0.960 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -2.926 -6.057 0.910 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -3.955 -6.509 -0.469 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -4.653 -5.628 0.911 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -3.147 -7.234 3.073 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -4.884 -6.855 3.160 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -4.336 -8.545 3.264 1.00 0.00 H new ATOM 1097 N ASN A 64 -7.169 -6.757 2.137 1.00 0.00 N ATOM 1098 CA ASN A 64 -8.108 -5.659 2.333 1.00 0.00 C ATOM 1099 C ASN A 64 -7.472 -4.537 3.148 1.00 0.00 C ATOM 1100 O ASN A 64 -7.781 -4.362 4.327 1.00 0.00 O ATOM 1101 CB ASN A 64 -9.373 -6.160 3.034 1.00 0.00 C ATOM 1102 CG ASN A 64 -10.170 -7.119 2.171 1.00 0.00 C ATOM 1103 OD1 ASN A 64 -9.983 -8.334 2.238 1.00 0.00 O ATOM 1104 ND2 ASN A 64 -11.066 -6.576 1.355 1.00 0.00 N ATOM 0 H ASN A 64 -6.977 -7.303 2.977 1.00 0.00 H new ATOM 0 HA ASN A 64 -8.376 -5.265 1.353 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -9.097 -6.656 3.965 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -9.999 -5.308 3.300 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -11.633 -7.171 0.751 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -11.188 -5.564 1.332 1.00 0.00 H new ATOM 1111 N ILE A 65 -6.584 -3.781 2.512 1.00 0.00 N ATOM 1112 CA ILE A 65 -5.906 -2.675 3.177 1.00 0.00 C ATOM 1113 C ILE A 65 -6.907 -1.746 3.856 1.00 0.00 C ATOM 1114 O ILE A 65 -8.117 -1.911 3.714 1.00 0.00 O ATOM 1115 CB ILE A 65 -5.054 -1.860 2.187 1.00 0.00 C ATOM 1116 CG1 ILE A 65 -5.946 -1.217 1.122 1.00 0.00 C ATOM 1117 CG2 ILE A 65 -4.001 -2.746 1.540 1.00 0.00 C ATOM 1118 CD1 ILE A 65 -5.269 -0.098 0.362 1.00 0.00 C ATOM 0 H ILE A 65 -6.317 -3.914 1.537 1.00 0.00 H new ATOM 0 HA ILE A 65 -5.251 -3.113 3.931 1.00 0.00 H new ATOM 0 HB ILE A 65 -4.545 -1.067 2.735 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -6.265 -1.984 0.416 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -6.846 -0.829 1.599 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -3.407 -2.155 0.843 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -3.351 -3.160 2.310 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -4.490 -3.559 1.002 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -5.960 0.311 -0.376 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -4.974 0.688 1.057 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -4.385 -0.485 -0.144 1.00 0.00 H new ATOM 1130 N ASN A 66 -6.391 -0.767 4.592 1.00 0.00 N ATOM 1131 CA ASN A 66 -7.239 0.191 5.292 1.00 0.00 C ATOM 1132 C ASN A 66 -6.751 1.618 5.064 1.00 0.00 C ATOM 1133 O ASN A 66 -5.565 1.912 5.216 1.00 0.00 O ATOM 1134 CB ASN A 66 -7.264 -0.118 6.790 1.00 0.00 C ATOM 1135 CG ASN A 66 -8.125 -1.323 7.118 1.00 0.00 C ATOM 1136 OD1 ASN A 66 -9.275 -1.183 7.534 1.00 0.00 O ATOM 1137 ND2 ASN A 66 -7.570 -2.515 6.932 1.00 0.00 N ATOM 0 H ASN A 66 -5.390 -0.616 4.719 1.00 0.00 H new ATOM 0 HA ASN A 66 -8.249 0.103 4.893 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -6.247 -0.296 7.138 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -7.639 0.751 7.331 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -8.101 -3.362 7.136 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -6.613 -2.584 6.585 1.00 0.00 H new ATOM 1144 N VAL A 67 -7.674 2.502 4.698 1.00 0.00 N ATOM 1145 CA VAL A 67 -7.339 3.899 4.450 1.00 0.00 C ATOM 1146 C VAL A 67 -8.066 4.820 5.424 1.00 0.00 C ATOM 1147 O VAL A 67 -9.277 4.708 5.612 1.00 0.00 O ATOM 1148 CB VAL A 67 -7.690 4.314 3.009 1.00 0.00 C ATOM 1149 CG1 VAL A 67 -7.127 5.692 2.697 1.00 0.00 C ATOM 1150 CG2 VAL A 67 -7.176 3.281 2.017 1.00 0.00 C ATOM 0 H VAL A 67 -8.660 2.275 4.567 1.00 0.00 H new ATOM 0 HA VAL A 67 -6.263 3.997 4.596 1.00 0.00 H new ATOM 0 HB VAL A 67 -8.775 4.363 2.918 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -7.385 5.968 1.675 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -7.549 6.422 3.387 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -6.043 5.675 2.805 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -7.433 3.590 1.004 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -6.093 3.197 2.107 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -7.634 2.314 2.228 1.00 0.00 H new ATOM 1160 N GLU A 68 -7.318 5.731 6.039 1.00 0.00 N ATOM 1161 CA GLU A 68 -7.893 6.671 6.994 1.00 0.00 C ATOM 1162 C GLU A 68 -7.064 7.950 7.065 1.00 0.00 C ATOM 1163 O GLU A 68 -5.835 7.903 7.126 1.00 0.00 O ATOM 1164 CB GLU A 68 -7.983 6.032 8.382 1.00 0.00 C ATOM 1165 CG GLU A 68 -6.631 5.688 8.983 1.00 0.00 C ATOM 1166 CD GLU A 68 -6.742 4.767 10.182 1.00 0.00 C ATOM 1167 OE1 GLU A 68 -7.431 5.142 11.155 1.00 0.00 O ATOM 1168 OE2 GLU A 68 -6.142 3.673 10.149 1.00 0.00 O ATOM 0 H GLU A 68 -6.314 5.838 5.893 1.00 0.00 H new ATOM 0 HA GLU A 68 -8.896 6.927 6.653 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -8.507 6.713 9.053 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -8.583 5.125 8.317 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -6.010 5.215 8.223 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -6.126 6.607 9.281 1.00 0.00 H new ATOM 1175 N ALA A 69 -7.745 9.091 7.055 1.00 0.00 N ATOM 1176 CA ALA A 69 -7.072 10.383 7.119 1.00 0.00 C ATOM 1177 C ALA A 69 -6.296 10.533 8.422 1.00 0.00 C ATOM 1178 O ALA A 69 -6.884 10.690 9.492 1.00 0.00 O ATOM 1179 CB ALA A 69 -8.082 11.511 6.970 1.00 0.00 C ATOM 0 H ALA A 69 -8.762 9.147 7.003 1.00 0.00 H new ATOM 0 HA ALA A 69 -6.360 10.436 6.295 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -7.566 12.470 7.020 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -8.589 11.421 6.009 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -8.815 11.451 7.774 1.00 0.00 H new