USER MOD reduce.3.24.130724 H: found=0, std=0, add=635, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 638 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 106 ASN : amide:sc= -1.95! C(o=-1.9!,f=-11!) USER MOD Set 1.2: A 107 SER OG : rot 42:sc= 0.0894 USER MOD Single : A 51 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 59 LYS NZ :NH3+ -178:sc= 0.425 (180deg=0.42) USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ 147:sc= 0.129 (180deg=7.11e-05) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 ASN : amide:sc= -0.823 K(o=-0.82,f=-4!) USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 ASN : amide:sc= -1.62 K(o=-1.6,f=-10!) USER MOD Single : A 104 LYS NZ :NH3+ -150:sc= 0 (180deg=-0.53) USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD Single : A 118 LYS NZ :NH3+ -147:sc= -0.0733 (180deg=-0.64) USER MOD Single : A 127 SER OG : rot 180:sc= 0 USER MOD Single : A 128 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 134 TYR OH : rot -12:sc= -4.35! USER MOD Single : A 137 SER OG : rot -30:sc= -1.07 USER MOD Single : A 138 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.000109) USER MOD Single : A 139 THR OG1 : rot 180:sc= 0.00796 USER MOD ----------------------------------------------------------------- ATOM 91 N ASN A 51 -4.786 -6.098 -8.704 1.00 0.00 N ATOM 92 CA ASN A 51 -4.716 -7.532 -8.994 1.00 0.00 C ATOM 93 C ASN A 51 -3.874 -8.271 -7.950 1.00 0.00 C ATOM 94 O ASN A 51 -3.234 -7.649 -7.102 1.00 0.00 O ATOM 95 CB ASN A 51 -4.131 -7.761 -10.392 1.00 0.00 C ATOM 96 CG ASN A 51 -5.099 -7.368 -11.494 1.00 0.00 C ATOM 97 OD1 ASN A 51 -5.156 -6.207 -11.897 1.00 0.00 O ATOM 98 ND2 ASN A 51 -5.871 -8.334 -11.984 1.00 0.00 N ATOM 0 HA ASN A 51 -5.730 -7.930 -8.957 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -3.211 -7.185 -10.497 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -3.864 -8.812 -10.504 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -6.543 -8.125 -12.723 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -5.791 -9.284 -11.621 1.00 0.00 H new ATOM 105 N PHE A 52 -3.880 -9.606 -8.026 1.00 0.00 N ATOM 106 CA PHE A 52 -3.116 -10.437 -7.095 1.00 0.00 C ATOM 107 C PHE A 52 -1.617 -10.226 -7.290 1.00 0.00 C ATOM 108 O PHE A 52 -1.128 -10.193 -8.420 1.00 0.00 O ATOM 109 CB PHE A 52 -3.459 -11.920 -7.286 1.00 0.00 C ATOM 110 CG PHE A 52 -4.889 -12.261 -6.965 1.00 0.00 C ATOM 111 CD1 PHE A 52 -5.489 -11.795 -5.804 1.00 0.00 C ATOM 112 CD2 PHE A 52 -5.631 -13.054 -7.826 1.00 0.00 C ATOM 113 CE1 PHE A 52 -6.801 -12.113 -5.511 1.00 0.00 C ATOM 114 CE2 PHE A 52 -6.944 -13.375 -7.537 1.00 0.00 C ATOM 115 CZ PHE A 52 -7.530 -12.903 -6.377 1.00 0.00 C ATOM 0 H PHE A 52 -4.406 -10.132 -8.723 1.00 0.00 H new ATOM 0 HA PHE A 52 -3.386 -10.140 -6.082 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -3.252 -12.201 -8.319 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -2.802 -12.519 -6.655 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -4.924 -11.177 -5.122 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -5.178 -13.425 -8.733 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -7.256 -11.743 -4.604 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -7.511 -13.994 -8.216 1.00 0.00 H new ATOM 0 HZ PHE A 52 -8.556 -13.152 -6.149 1.00 0.00 H new ATOM 125 N GLY A 53 -0.893 -10.083 -6.181 1.00 0.00 N ATOM 126 CA GLY A 53 0.544 -9.871 -6.246 1.00 0.00 C ATOM 127 C GLY A 53 0.907 -8.565 -6.926 1.00 0.00 C ATOM 128 O GLY A 53 1.781 -8.533 -7.792 1.00 0.00 O ATOM 0 H GLY A 53 -1.278 -10.110 -5.237 1.00 0.00 H new ATOM 0 HA2 GLY A 53 0.955 -9.878 -5.237 1.00 0.00 H new ATOM 0 HA3 GLY A 53 1.006 -10.698 -6.784 1.00 0.00 H new ATOM 132 N ASP A 54 0.230 -7.483 -6.534 1.00 0.00 N ATOM 133 CA ASP A 54 0.479 -6.168 -7.112 1.00 0.00 C ATOM 134 C ASP A 54 0.540 -5.094 -6.028 1.00 0.00 C ATOM 135 O ASP A 54 -0.236 -5.118 -5.069 1.00 0.00 O ATOM 136 CB ASP A 54 -0.613 -5.825 -8.126 1.00 0.00 C ATOM 137 CG ASP A 54 -0.098 -4.955 -9.255 1.00 0.00 C ATOM 138 OD1 ASP A 54 0.676 -5.466 -10.092 1.00 0.00 O ATOM 139 OD2 ASP A 54 -0.465 -3.762 -9.298 1.00 0.00 O ATOM 0 H ASP A 54 -0.495 -7.496 -5.817 1.00 0.00 H new ATOM 0 HA ASP A 54 1.444 -6.197 -7.618 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -1.024 -6.746 -8.539 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -1.429 -5.311 -7.618 1.00 0.00 H new ATOM 144 N ARG A 55 1.466 -4.154 -6.196 1.00 0.00 N ATOM 145 CA ARG A 55 1.641 -3.058 -5.241 1.00 0.00 C ATOM 146 C ARG A 55 0.400 -2.169 -5.197 1.00 0.00 C ATOM 147 O ARG A 55 0.038 -1.537 -6.192 1.00 0.00 O ATOM 148 CB ARG A 55 2.883 -2.221 -5.590 1.00 0.00 C ATOM 149 CG ARG A 55 2.986 -1.828 -7.059 1.00 0.00 C ATOM 150 CD ARG A 55 4.025 -2.664 -7.789 1.00 0.00 C ATOM 151 NE ARG A 55 4.650 -1.936 -8.894 1.00 0.00 N ATOM 152 CZ ARG A 55 5.384 -2.516 -9.850 1.00 0.00 C ATOM 153 NH1 ARG A 55 5.589 -3.831 -9.838 1.00 0.00 N ATOM 154 NH2 ARG A 55 5.919 -1.780 -10.817 1.00 0.00 N ATOM 0 H ARG A 55 2.110 -4.127 -6.987 1.00 0.00 H new ATOM 0 HA ARG A 55 1.786 -3.497 -4.254 1.00 0.00 H new ATOM 0 HB2 ARG A 55 2.877 -1.315 -4.984 1.00 0.00 H new ATOM 0 HB3 ARG A 55 3.775 -2.784 -5.314 1.00 0.00 H new ATOM 0 HG2 ARG A 55 2.015 -1.952 -7.539 1.00 0.00 H new ATOM 0 HG3 ARG A 55 3.247 -0.773 -7.137 1.00 0.00 H new ATOM 0 HD2 ARG A 55 4.794 -2.980 -7.084 1.00 0.00 H new ATOM 0 HD3 ARG A 55 3.555 -3.569 -8.174 1.00 0.00 H new ATOM 0 HE ARG A 55 4.518 -0.926 -8.938 1.00 0.00 H new ATOM 0 HH11 ARG A 55 5.185 -4.403 -9.097 1.00 0.00 H new ATOM 0 HH12 ARG A 55 6.150 -4.266 -10.570 1.00 0.00 H new ATOM 0 HH21 ARG A 55 5.770 -0.771 -10.831 1.00 0.00 H new ATOM 0 HH22 ARG A 55 6.479 -2.224 -11.545 1.00 0.00 H new ATOM 168 N ILE A 56 -0.246 -2.128 -4.032 1.00 0.00 N ATOM 169 CA ILE A 56 -1.451 -1.323 -3.840 1.00 0.00 C ATOM 170 C ILE A 56 -1.295 -0.364 -2.660 1.00 0.00 C ATOM 171 O ILE A 56 -0.592 -0.660 -1.694 1.00 0.00 O ATOM 172 CB ILE A 56 -2.696 -2.207 -3.600 1.00 0.00 C ATOM 173 CG1 ILE A 56 -2.501 -3.092 -2.364 1.00 0.00 C ATOM 174 CG2 ILE A 56 -2.994 -3.059 -4.823 1.00 0.00 C ATOM 175 CD1 ILE A 56 -3.183 -2.554 -1.126 1.00 0.00 C ATOM 0 H ILE A 56 0.047 -2.646 -3.204 1.00 0.00 H new ATOM 0 HA ILE A 56 -1.590 -0.752 -4.758 1.00 0.00 H new ATOM 0 HB ILE A 56 -3.549 -1.552 -3.422 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -2.885 -4.090 -2.577 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -1.434 -3.196 -2.166 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -3.874 -3.673 -4.633 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -3.182 -2.412 -5.680 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -2.140 -3.703 -5.034 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -3.004 -3.229 -0.289 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -2.782 -1.569 -0.889 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -4.255 -2.476 -1.306 1.00 0.00 H new ATOM 187 N LEU A 57 -1.967 0.782 -2.741 1.00 0.00 N ATOM 188 CA LEU A 57 -1.916 1.777 -1.677 1.00 0.00 C ATOM 189 C LEU A 57 -3.077 1.580 -0.709 1.00 0.00 C ATOM 190 O LEU A 57 -4.241 1.630 -1.107 1.00 0.00 O ATOM 191 CB LEU A 57 -1.951 3.192 -2.259 1.00 0.00 C ATOM 192 CG LEU A 57 -1.023 4.193 -1.571 1.00 0.00 C ATOM 193 CD1 LEU A 57 0.430 3.781 -1.752 1.00 0.00 C ATOM 194 CD2 LEU A 57 -1.260 5.596 -2.112 1.00 0.00 C ATOM 0 H LEU A 57 -2.553 1.043 -3.534 1.00 0.00 H new ATOM 0 HA LEU A 57 -0.980 1.648 -1.134 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -1.688 3.141 -3.316 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -2.973 3.567 -2.203 1.00 0.00 H new ATOM 0 HG LEU A 57 -1.245 4.198 -0.504 1.00 0.00 H new ATOM 0 HD11 LEU A 57 1.078 4.504 -1.256 1.00 0.00 H new ATOM 0 HD12 LEU A 57 0.586 2.795 -1.315 1.00 0.00 H new ATOM 0 HD13 LEU A 57 0.669 3.748 -2.815 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -0.591 6.297 -1.612 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -1.064 5.610 -3.184 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -2.294 5.887 -1.928 1.00 0.00 H new ATOM 206 N VAL A 58 -2.753 1.346 0.557 1.00 0.00 N ATOM 207 CA VAL A 58 -3.770 1.131 1.581 1.00 0.00 C ATOM 208 C VAL A 58 -3.710 2.215 2.659 1.00 0.00 C ATOM 209 O VAL A 58 -2.649 2.493 3.217 1.00 0.00 O ATOM 210 CB VAL A 58 -3.615 -0.260 2.233 1.00 0.00 C ATOM 211 CG1 VAL A 58 -2.250 -0.406 2.891 1.00 0.00 C ATOM 212 CG2 VAL A 58 -4.731 -0.514 3.236 1.00 0.00 C ATOM 0 H VAL A 58 -1.794 1.300 0.900 1.00 0.00 H new ATOM 0 HA VAL A 58 -4.741 1.183 1.088 1.00 0.00 H new ATOM 0 HB VAL A 58 -3.689 -1.011 1.446 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -2.168 -1.395 3.342 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -1.469 -0.284 2.140 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -2.134 0.356 3.662 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -4.601 -1.500 3.683 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -4.698 0.246 4.017 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -5.694 -0.470 2.728 1.00 0.00 H new ATOM 222 N LYS A 59 -4.859 2.821 2.945 1.00 0.00 N ATOM 223 CA LYS A 59 -4.944 3.872 3.955 1.00 0.00 C ATOM 224 C LYS A 59 -5.545 3.338 5.253 1.00 0.00 C ATOM 225 O LYS A 59 -6.519 2.584 5.232 1.00 0.00 O ATOM 226 CB LYS A 59 -5.781 5.043 3.436 1.00 0.00 C ATOM 227 CG LYS A 59 -5.279 6.400 3.898 1.00 0.00 C ATOM 228 CD LYS A 59 -6.397 7.426 3.934 1.00 0.00 C ATOM 229 CE LYS A 59 -5.879 8.807 4.316 1.00 0.00 C ATOM 230 NZ LYS A 59 -6.137 9.820 3.251 1.00 0.00 N ATOM 0 H LYS A 59 -5.746 2.602 2.491 1.00 0.00 H new ATOM 0 HA LYS A 59 -3.932 4.221 4.162 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -5.788 5.019 2.346 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -6.813 4.915 3.764 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -4.838 6.307 4.890 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -4.490 6.744 3.229 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -6.878 7.475 2.957 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -7.157 7.111 4.649 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -6.354 9.128 5.243 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -4.808 8.751 4.510 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -5.738 10.736 3.539 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -5.691 9.512 2.363 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -7.162 9.919 3.107 1.00 0.00 H new ATOM 244 N ALA A 60 -4.958 3.736 6.380 1.00 0.00 N ATOM 245 CA ALA A 60 -5.434 3.305 7.692 1.00 0.00 C ATOM 246 C ALA A 60 -6.391 4.336 8.292 1.00 0.00 C ATOM 247 O ALA A 60 -6.444 5.479 7.836 1.00 0.00 O ATOM 248 CB ALA A 60 -4.254 3.069 8.625 1.00 0.00 C ATOM 0 H ALA A 60 -4.150 4.358 6.410 1.00 0.00 H new ATOM 0 HA ALA A 60 -5.980 2.370 7.569 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -4.620 2.748 9.600 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -3.609 2.296 8.207 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -3.688 3.994 8.736 1.00 0.00 H new ATOM 254 N PRO A 61 -7.159 3.947 9.333 1.00 0.00 N ATOM 255 CA PRO A 61 -8.110 4.852 9.994 1.00 0.00 C ATOM 256 C PRO A 61 -7.403 6.038 10.650 1.00 0.00 C ATOM 257 O PRO A 61 -6.870 5.922 11.756 1.00 0.00 O ATOM 258 CB PRO A 61 -8.781 3.967 11.053 1.00 0.00 C ATOM 259 CG PRO A 61 -7.833 2.838 11.269 1.00 0.00 C ATOM 260 CD PRO A 61 -7.156 2.608 9.948 1.00 0.00 C ATOM 0 HA PRO A 61 -8.817 5.290 9.290 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -8.954 4.519 11.977 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -9.751 3.608 10.710 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -7.105 3.082 12.043 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -8.361 1.943 11.598 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -6.143 2.225 10.075 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -7.696 1.883 9.339 1.00 0.00 H new ATOM 268 N GLY A 62 -7.386 7.170 9.948 1.00 0.00 N ATOM 269 CA GLY A 62 -6.725 8.358 10.464 1.00 0.00 C ATOM 270 C GLY A 62 -5.308 8.514 9.933 1.00 0.00 C ATOM 271 O GLY A 62 -4.812 9.634 9.799 1.00 0.00 O ATOM 0 H GLY A 62 -7.818 7.285 9.031 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -7.308 9.239 10.197 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -6.698 8.311 11.553 1.00 0.00 H new ATOM 275 N TYR A 63 -4.661 7.388 9.628 1.00 0.00 N ATOM 276 CA TYR A 63 -3.298 7.397 9.108 1.00 0.00 C ATOM 277 C TYR A 63 -3.290 7.600 7.590 1.00 0.00 C ATOM 278 O TYR A 63 -4.243 7.232 6.903 1.00 0.00 O ATOM 279 CB TYR A 63 -2.594 6.084 9.468 1.00 0.00 C ATOM 280 CG TYR A 63 -1.303 6.262 10.241 1.00 0.00 C ATOM 281 CD1 TYR A 63 -1.202 7.187 11.273 1.00 0.00 C ATOM 282 CD2 TYR A 63 -0.185 5.495 9.939 1.00 0.00 C ATOM 283 CE1 TYR A 63 -0.024 7.344 11.979 1.00 0.00 C ATOM 284 CE2 TYR A 63 0.995 5.644 10.639 1.00 0.00 C ATOM 285 CZ TYR A 63 1.071 6.570 11.658 1.00 0.00 C ATOM 286 OH TYR A 63 2.245 6.719 12.360 1.00 0.00 O ATOM 0 H TYR A 63 -5.063 6.457 9.734 1.00 0.00 H new ATOM 0 HA TYR A 63 -2.762 8.230 9.564 1.00 0.00 H new ATOM 0 HB2 TYR A 63 -3.275 5.469 10.057 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -2.382 5.535 8.550 1.00 0.00 H new ATOM 0 HD1 TYR A 63 -2.058 7.794 11.528 1.00 0.00 H new ATOM 0 HD2 TYR A 63 -0.240 4.769 9.142 1.00 0.00 H new ATOM 0 HE1 TYR A 63 0.038 8.069 12.777 1.00 0.00 H new ATOM 0 HE2 TYR A 63 1.854 5.039 10.390 1.00 0.00 H new ATOM 0 HH TYR A 63 2.917 6.098 12.009 1.00 0.00 H new ATOM 296 N PRO A 64 -2.205 8.190 7.049 1.00 0.00 N ATOM 297 CA PRO A 64 -2.072 8.440 5.606 1.00 0.00 C ATOM 298 C PRO A 64 -1.959 7.148 4.793 1.00 0.00 C ATOM 299 O PRO A 64 -1.821 6.060 5.357 1.00 0.00 O ATOM 300 CB PRO A 64 -0.780 9.257 5.499 1.00 0.00 C ATOM 301 CG PRO A 64 -0.006 8.915 6.725 1.00 0.00 C ATOM 302 CD PRO A 64 -1.024 8.658 7.801 1.00 0.00 C ATOM 0 HA PRO A 64 -2.947 8.949 5.203 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -0.224 9.001 4.597 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -0.991 10.325 5.451 1.00 0.00 H new ATOM 0 HG2 PRO A 64 0.617 8.036 6.560 1.00 0.00 H new ATOM 0 HG3 PRO A 64 0.661 9.731 7.006 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -0.677 7.908 8.512 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -1.243 9.561 8.371 1.00 0.00 H new ATOM 310 N TRP A 65 -2.020 7.275 3.466 1.00 0.00 N ATOM 311 CA TRP A 65 -1.924 6.116 2.577 1.00 0.00 C ATOM 312 C TRP A 65 -0.567 5.428 2.724 1.00 0.00 C ATOM 313 O TRP A 65 0.470 6.090 2.799 1.00 0.00 O ATOM 314 CB TRP A 65 -2.132 6.533 1.118 1.00 0.00 C ATOM 315 CG TRP A 65 -3.532 6.974 0.805 1.00 0.00 C ATOM 316 CD1 TRP A 65 -4.036 8.237 0.919 1.00 0.00 C ATOM 317 CD2 TRP A 65 -4.606 6.156 0.324 1.00 0.00 C ATOM 318 NE1 TRP A 65 -5.357 8.255 0.541 1.00 0.00 N ATOM 319 CE2 TRP A 65 -5.731 6.990 0.173 1.00 0.00 C ATOM 320 CE3 TRP A 65 -4.729 4.799 0.008 1.00 0.00 C ATOM 321 CZ2 TRP A 65 -6.958 6.511 -0.284 1.00 0.00 C ATOM 322 CZ3 TRP A 65 -5.945 4.327 -0.446 1.00 0.00 C ATOM 323 CH2 TRP A 65 -7.048 5.180 -0.584 1.00 0.00 C ATOM 0 H TRP A 65 -2.135 8.167 2.984 1.00 0.00 H new ATOM 0 HA TRP A 65 -2.708 5.415 2.862 1.00 0.00 H new ATOM 0 HB2 TRP A 65 -1.444 7.345 0.881 1.00 0.00 H new ATOM 0 HB3 TRP A 65 -1.872 5.696 0.470 1.00 0.00 H new ATOM 0 HD1 TRP A 65 -3.478 9.097 1.257 1.00 0.00 H new ATOM 0 HE1 TRP A 65 -5.961 9.077 0.535 1.00 0.00 H new ATOM 0 HE3 TRP A 65 -3.887 4.131 0.117 1.00 0.00 H new ATOM 0 HZ2 TRP A 65 -7.808 7.168 -0.397 1.00 0.00 H new ATOM 0 HZ3 TRP A 65 -6.047 3.282 -0.699 1.00 0.00 H new ATOM 0 HH2 TRP A 65 -7.987 4.778 -0.934 1.00 0.00 H new ATOM 334 N TRP A 66 -0.582 4.096 2.763 1.00 0.00 N ATOM 335 CA TRP A 66 0.644 3.316 2.898 1.00 0.00 C ATOM 336 C TRP A 66 0.809 2.345 1.728 1.00 0.00 C ATOM 337 O TRP A 66 -0.176 1.818 1.207 1.00 0.00 O ATOM 338 CB TRP A 66 0.640 2.542 4.221 1.00 0.00 C ATOM 339 CG TRP A 66 1.981 2.517 4.881 1.00 0.00 C ATOM 340 CD1 TRP A 66 2.783 1.430 5.071 1.00 0.00 C ATOM 341 CD2 TRP A 66 2.682 3.637 5.430 1.00 0.00 C ATOM 342 NE1 TRP A 66 3.946 1.807 5.698 1.00 0.00 N ATOM 343 CE2 TRP A 66 3.904 3.156 5.934 1.00 0.00 C ATOM 344 CE3 TRP A 66 2.394 4.999 5.545 1.00 0.00 C ATOM 345 CZ2 TRP A 66 4.838 3.989 6.538 1.00 0.00 C ATOM 346 CZ3 TRP A 66 3.325 5.826 6.144 1.00 0.00 C ATOM 347 CH2 TRP A 66 4.532 5.317 6.635 1.00 0.00 C ATOM 0 H TRP A 66 -1.432 3.535 2.703 1.00 0.00 H new ATOM 0 HA TRP A 66 1.485 4.009 2.892 1.00 0.00 H new ATOM 0 HB2 TRP A 66 -0.085 2.993 4.898 1.00 0.00 H new ATOM 0 HB3 TRP A 66 0.311 1.519 4.037 1.00 0.00 H new ATOM 0 HD1 TRP A 66 2.540 0.421 4.772 1.00 0.00 H new ATOM 0 HE1 TRP A 66 4.715 1.185 5.947 1.00 0.00 H new ATOM 0 HE3 TRP A 66 1.462 5.398 5.173 1.00 0.00 H new ATOM 0 HZ2 TRP A 66 5.772 3.601 6.917 1.00 0.00 H new ATOM 0 HZ3 TRP A 66 3.118 6.882 6.235 1.00 0.00 H new ATOM 0 HH2 TRP A 66 5.238 5.989 7.101 1.00 0.00 H new ATOM 358 N PRO A 67 2.061 2.098 1.294 1.00 0.00 N ATOM 359 CA PRO A 67 2.347 1.193 0.182 1.00 0.00 C ATOM 360 C PRO A 67 2.381 -0.275 0.605 1.00 0.00 C ATOM 361 O PRO A 67 3.305 -0.716 1.291 1.00 0.00 O ATOM 362 CB PRO A 67 3.727 1.657 -0.278 1.00 0.00 C ATOM 363 CG PRO A 67 4.389 2.145 0.964 1.00 0.00 C ATOM 364 CD PRO A 67 3.295 2.689 1.851 1.00 0.00 C ATOM 0 HA PRO A 67 1.580 1.233 -0.591 1.00 0.00 H new ATOM 0 HB2 PRO A 67 4.289 0.841 -0.733 1.00 0.00 H new ATOM 0 HB3 PRO A 67 3.652 2.448 -1.025 1.00 0.00 H new ATOM 0 HG2 PRO A 67 4.924 1.336 1.461 1.00 0.00 H new ATOM 0 HG3 PRO A 67 5.122 2.918 0.734 1.00 0.00 H new ATOM 0 HD2 PRO A 67 3.443 2.399 2.891 1.00 0.00 H new ATOM 0 HD3 PRO A 67 3.264 3.778 1.825 1.00 0.00 H new ATOM 372 N ALA A 68 1.367 -1.024 0.181 1.00 0.00 N ATOM 373 CA ALA A 68 1.268 -2.446 0.497 1.00 0.00 C ATOM 374 C ALA A 68 1.222 -3.277 -0.782 1.00 0.00 C ATOM 375 O ALA A 68 1.182 -2.734 -1.885 1.00 0.00 O ATOM 376 CB ALA A 68 0.037 -2.710 1.352 1.00 0.00 C ATOM 0 H ALA A 68 0.598 -0.667 -0.386 1.00 0.00 H new ATOM 0 HA ALA A 68 2.153 -2.740 1.062 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -0.026 -3.774 1.581 1.00 0.00 H new ATOM 0 HB2 ALA A 68 0.110 -2.143 2.280 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -0.856 -2.403 0.808 1.00 0.00 H new ATOM 382 N LEU A 69 1.230 -4.595 -0.630 1.00 0.00 N ATOM 383 CA LEU A 69 1.187 -5.496 -1.776 1.00 0.00 C ATOM 384 C LEU A 69 -0.013 -6.428 -1.687 1.00 0.00 C ATOM 385 O LEU A 69 -0.123 -7.220 -0.751 1.00 0.00 O ATOM 386 CB LEU A 69 2.476 -6.314 -1.857 1.00 0.00 C ATOM 387 CG LEU A 69 3.150 -6.328 -3.231 1.00 0.00 C ATOM 388 CD1 LEU A 69 4.627 -6.658 -3.098 1.00 0.00 C ATOM 389 CD2 LEU A 69 2.459 -7.321 -4.152 1.00 0.00 C ATOM 0 H LEU A 69 1.266 -5.064 0.275 1.00 0.00 H new ATOM 0 HA LEU A 69 1.091 -4.892 -2.678 1.00 0.00 H new ATOM 0 HB2 LEU A 69 3.183 -5.922 -1.126 1.00 0.00 H new ATOM 0 HB3 LEU A 69 2.255 -7.341 -1.567 1.00 0.00 H new ATOM 0 HG LEU A 69 3.061 -5.334 -3.669 1.00 0.00 H new ATOM 0 HD11 LEU A 69 5.089 -6.663 -4.085 1.00 0.00 H new ATOM 0 HD12 LEU A 69 5.113 -5.908 -2.474 1.00 0.00 H new ATOM 0 HD13 LEU A 69 4.740 -7.640 -2.639 1.00 0.00 H new ATOM 0 HD21 LEU A 69 2.951 -7.318 -5.125 1.00 0.00 H new ATOM 0 HD22 LEU A 69 2.517 -8.320 -3.719 1.00 0.00 H new ATOM 0 HD23 LEU A 69 1.413 -7.038 -4.273 1.00 0.00 H new ATOM 401 N LEU A 70 -0.908 -6.335 -2.667 1.00 0.00 N ATOM 402 CA LEU A 70 -2.100 -7.178 -2.696 1.00 0.00 C ATOM 403 C LEU A 70 -1.717 -8.647 -2.839 1.00 0.00 C ATOM 404 O LEU A 70 -1.016 -9.023 -3.777 1.00 0.00 O ATOM 405 CB LEU A 70 -3.021 -6.763 -3.847 1.00 0.00 C ATOM 406 CG LEU A 70 -4.519 -6.900 -3.562 1.00 0.00 C ATOM 407 CD1 LEU A 70 -5.314 -5.910 -4.402 1.00 0.00 C ATOM 408 CD2 LEU A 70 -4.986 -8.325 -3.826 1.00 0.00 C ATOM 0 H LEU A 70 -0.831 -5.686 -3.450 1.00 0.00 H new ATOM 0 HA LEU A 70 -2.632 -7.047 -1.754 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -2.809 -5.725 -4.105 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -2.777 -7.365 -4.722 1.00 0.00 H new ATOM 0 HG LEU A 70 -4.692 -6.674 -2.510 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -6.377 -6.021 -4.187 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -5.000 -4.894 -4.162 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -5.136 -6.105 -5.460 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -6.053 -8.403 -3.618 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -4.800 -8.581 -4.869 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -4.439 -9.012 -3.180 1.00 0.00 H new ATOM 420 N LEU A 71 -2.181 -9.475 -1.905 1.00 0.00 N ATOM 421 CA LEU A 71 -1.887 -10.905 -1.935 1.00 0.00 C ATOM 422 C LEU A 71 -3.109 -11.697 -2.395 1.00 0.00 C ATOM 423 O LEU A 71 -3.040 -12.448 -3.370 1.00 0.00 O ATOM 424 CB LEU A 71 -1.430 -11.394 -0.557 1.00 0.00 C ATOM 425 CG LEU A 71 -0.248 -10.629 0.049 1.00 0.00 C ATOM 426 CD1 LEU A 71 -0.227 -10.789 1.564 1.00 0.00 C ATOM 427 CD2 LEU A 71 1.067 -11.104 -0.557 1.00 0.00 C ATOM 0 H LEU A 71 -2.761 -9.180 -1.120 1.00 0.00 H new ATOM 0 HA LEU A 71 -1.078 -11.068 -2.647 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -2.273 -11.332 0.131 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -1.159 -12.447 -0.634 1.00 0.00 H new ATOM 0 HG LEU A 71 -0.370 -9.571 -0.184 1.00 0.00 H new ATOM 0 HD11 LEU A 71 0.619 -10.239 1.976 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -1.154 -10.398 1.984 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -0.131 -11.845 1.817 1.00 0.00 H new ATOM 0 HD21 LEU A 71 1.894 -10.549 -0.114 1.00 0.00 H new ATOM 0 HD22 LEU A 71 1.196 -12.168 -0.358 1.00 0.00 H new ATOM 0 HD23 LEU A 71 1.053 -10.936 -1.634 1.00 0.00 H new ATOM 439 N ARG A 72 -4.231 -11.519 -1.692 1.00 0.00 N ATOM 440 CA ARG A 72 -5.472 -12.215 -2.029 1.00 0.00 C ATOM 441 C ARG A 72 -6.671 -11.569 -1.339 1.00 0.00 C ATOM 442 O ARG A 72 -6.536 -10.969 -0.273 1.00 0.00 O ATOM 443 CB ARG A 72 -5.379 -13.694 -1.642 1.00 0.00 C ATOM 444 CG ARG A 72 -5.421 -14.638 -2.833 1.00 0.00 C ATOM 445 CD ARG A 72 -6.808 -15.230 -3.030 1.00 0.00 C ATOM 446 NE ARG A 72 -6.785 -16.693 -3.056 1.00 0.00 N ATOM 447 CZ ARG A 72 -7.861 -17.462 -2.875 1.00 0.00 C ATOM 448 NH1 ARG A 72 -9.058 -16.918 -2.664 1.00 0.00 N ATOM 449 NH2 ARG A 72 -7.741 -18.784 -2.909 1.00 0.00 N ATOM 0 H ARG A 72 -4.304 -10.898 -0.886 1.00 0.00 H new ATOM 0 HA ARG A 72 -5.615 -12.138 -3.107 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -4.453 -13.859 -1.090 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -6.200 -13.937 -0.967 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -5.123 -14.102 -3.734 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -4.699 -15.442 -2.687 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -7.463 -14.893 -2.227 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -7.231 -14.858 -3.963 1.00 0.00 H new ATOM 0 HE ARG A 72 -5.891 -17.154 -3.223 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -9.160 -15.903 -2.639 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -9.873 -17.516 -2.527 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -6.828 -19.209 -3.073 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -8.561 -19.374 -2.771 1.00 0.00 H new ATOM 463 N ARG A 73 -7.846 -11.705 -1.952 1.00 0.00 N ATOM 464 CA ARG A 73 -9.071 -11.141 -1.389 1.00 0.00 C ATOM 465 C ARG A 73 -9.966 -12.244 -0.834 1.00 0.00 C ATOM 466 O ARG A 73 -10.528 -13.041 -1.586 1.00 0.00 O ATOM 467 CB ARG A 73 -9.831 -10.318 -2.440 1.00 0.00 C ATOM 468 CG ARG A 73 -10.098 -11.059 -3.742 1.00 0.00 C ATOM 469 CD ARG A 73 -10.784 -10.163 -4.761 1.00 0.00 C ATOM 470 NE ARG A 73 -12.228 -10.075 -4.533 1.00 0.00 N ATOM 471 CZ ARG A 73 -13.057 -9.342 -5.280 1.00 0.00 C ATOM 472 NH1 ARG A 73 -12.596 -8.637 -6.310 1.00 0.00 N ATOM 473 NH2 ARG A 73 -14.357 -9.319 -4.998 1.00 0.00 N ATOM 0 H ARG A 73 -7.975 -12.199 -2.835 1.00 0.00 H new ATOM 0 HA ARG A 73 -8.789 -10.477 -0.572 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -10.783 -9.998 -2.016 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -9.261 -9.415 -2.660 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -9.157 -11.426 -4.153 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -10.721 -11.931 -3.545 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -10.349 -9.165 -4.716 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -10.598 -10.547 -5.764 1.00 0.00 H new ATOM 0 HE ARG A 73 -12.624 -10.605 -3.757 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -11.601 -8.653 -6.535 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -13.237 -8.080 -6.875 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -14.718 -9.861 -4.213 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -14.992 -8.760 -5.567 1.00 0.00 H new ATOM 487 N LYS A 74 -10.096 -12.281 0.490 1.00 0.00 N ATOM 488 CA LYS A 74 -10.927 -13.283 1.148 1.00 0.00 C ATOM 489 C LYS A 74 -12.317 -12.717 1.429 1.00 0.00 C ATOM 490 O LYS A 74 -12.496 -11.900 2.334 1.00 0.00 O ATOM 491 CB LYS A 74 -10.278 -13.778 2.451 1.00 0.00 C ATOM 492 CG LYS A 74 -9.360 -12.766 3.123 1.00 0.00 C ATOM 493 CD LYS A 74 -8.839 -13.286 4.454 1.00 0.00 C ATOM 494 CE LYS A 74 -8.873 -12.211 5.530 1.00 0.00 C ATOM 495 NZ LYS A 74 -9.199 -12.773 6.872 1.00 0.00 N ATOM 0 H LYS A 74 -9.637 -11.629 1.126 1.00 0.00 H new ATOM 0 HA LYS A 74 -11.021 -14.136 0.475 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -11.065 -14.056 3.151 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -9.707 -14.682 2.237 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -8.521 -12.541 2.465 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -9.900 -11.832 3.282 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -9.439 -14.138 4.772 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -7.817 -13.645 4.330 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -7.906 -11.710 5.572 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -9.612 -11.455 5.264 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -8.702 -12.229 7.606 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -10.225 -12.715 7.033 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -8.898 -13.768 6.914 1.00 0.00 H new ATOM 509 N GLU A 75 -13.294 -13.154 0.636 1.00 0.00 N ATOM 510 CA GLU A 75 -14.671 -12.690 0.783 1.00 0.00 C ATOM 511 C GLU A 75 -15.404 -13.477 1.866 1.00 0.00 C ATOM 512 O GLU A 75 -15.651 -14.676 1.714 1.00 0.00 O ATOM 513 CB GLU A 75 -15.413 -12.817 -0.549 1.00 0.00 C ATOM 514 CG GLU A 75 -16.579 -11.849 -0.691 1.00 0.00 C ATOM 515 CD GLU A 75 -16.756 -11.353 -2.113 1.00 0.00 C ATOM 516 OE1 GLU A 75 -17.187 -12.151 -2.972 1.00 0.00 O ATOM 517 OE2 GLU A 75 -16.462 -10.166 -2.370 1.00 0.00 O ATOM 0 H GLU A 75 -13.156 -13.830 -0.116 1.00 0.00 H new ATOM 0 HA GLU A 75 -14.645 -11.642 1.082 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -14.710 -12.648 -1.365 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -15.783 -13.837 -0.653 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -17.496 -12.340 -0.365 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -16.421 -10.997 -0.030 1.00 0.00 H new ATOM 524 N THR A 76 -15.756 -12.797 2.954 1.00 0.00 N ATOM 525 CA THR A 76 -16.470 -13.430 4.059 1.00 0.00 C ATOM 526 C THR A 76 -17.760 -12.672 4.366 1.00 0.00 C ATOM 527 O THR A 76 -17.745 -11.461 4.585 1.00 0.00 O ATOM 528 CB THR A 76 -15.574 -13.513 5.301 1.00 0.00 C ATOM 529 OG1 THR A 76 -16.215 -14.230 6.343 1.00 0.00 O ATOM 530 CG2 THR A 76 -15.168 -12.161 5.853 1.00 0.00 C ATOM 0 H THR A 76 -15.558 -11.806 3.094 1.00 0.00 H new ATOM 0 HA THR A 76 -16.735 -14.445 3.765 1.00 0.00 H new ATOM 0 HB THR A 76 -14.675 -14.028 4.963 1.00 0.00 H new ATOM 0 HG1 THR A 76 -15.624 -14.271 7.124 1.00 0.00 H new ATOM 0 HG21 THR A 76 -14.536 -12.301 6.730 1.00 0.00 H new ATOM 0 HG22 THR A 76 -14.616 -11.608 5.093 1.00 0.00 H new ATOM 0 HG23 THR A 76 -16.059 -11.600 6.134 1.00 0.00 H new ATOM 666 N PHE A 86 -22.156 -8.464 3.696 1.00 0.00 N ATOM 667 CA PHE A 86 -20.900 -8.935 3.117 1.00 0.00 C ATOM 668 C PHE A 86 -19.707 -8.204 3.731 1.00 0.00 C ATOM 669 O PHE A 86 -19.769 -7.000 3.992 1.00 0.00 O ATOM 670 CB PHE A 86 -20.901 -8.739 1.598 1.00 0.00 C ATOM 671 CG PHE A 86 -21.038 -10.020 0.820 1.00 0.00 C ATOM 672 CD1 PHE A 86 -20.025 -10.967 0.832 1.00 0.00 C ATOM 673 CD2 PHE A 86 -22.177 -10.270 0.074 1.00 0.00 C ATOM 674 CE1 PHE A 86 -20.148 -12.141 0.111 1.00 0.00 C ATOM 675 CE2 PHE A 86 -22.305 -11.441 -0.650 1.00 0.00 C ATOM 676 CZ PHE A 86 -21.290 -12.377 -0.630 1.00 0.00 C ATOM 0 HA PHE A 86 -20.809 -9.998 3.339 1.00 0.00 H new ATOM 0 HB2 PHE A 86 -21.719 -8.072 1.328 1.00 0.00 H new ATOM 0 HB3 PHE A 86 -19.975 -8.244 1.304 1.00 0.00 H new ATOM 0 HD1 PHE A 86 -19.131 -10.786 1.410 1.00 0.00 H new ATOM 0 HD2 PHE A 86 -22.975 -9.542 0.057 1.00 0.00 H new ATOM 0 HE1 PHE A 86 -19.353 -12.872 0.127 1.00 0.00 H new ATOM 0 HE2 PHE A 86 -23.197 -11.623 -1.230 1.00 0.00 H new ATOM 0 HZ PHE A 86 -21.389 -13.293 -1.193 1.00 0.00 H new ATOM 686 N ASN A 87 -18.617 -8.939 3.945 1.00 0.00 N ATOM 687 CA ASN A 87 -17.404 -8.369 4.516 1.00 0.00 C ATOM 688 C ASN A 87 -16.176 -8.829 3.732 1.00 0.00 C ATOM 689 O ASN A 87 -15.480 -9.765 4.132 1.00 0.00 O ATOM 690 CB ASN A 87 -17.271 -8.770 5.991 1.00 0.00 C ATOM 691 CG ASN A 87 -16.263 -7.918 6.743 1.00 0.00 C ATOM 692 OD1 ASN A 87 -15.118 -7.769 6.317 1.00 0.00 O ATOM 693 ND2 ASN A 87 -16.685 -7.353 7.870 1.00 0.00 N ATOM 0 H ASN A 87 -18.552 -9.934 3.730 1.00 0.00 H new ATOM 0 HA ASN A 87 -17.470 -7.283 4.452 1.00 0.00 H new ATOM 0 HB2 ASN A 87 -18.244 -8.686 6.475 1.00 0.00 H new ATOM 0 HB3 ASN A 87 -16.973 -9.817 6.053 1.00 0.00 H new ATOM 0 HD21 ASN A 87 -16.051 -6.770 8.417 1.00 0.00 H new ATOM 0 HD22 ASN A 87 -17.643 -7.502 8.188 1.00 0.00 H new ATOM 700 N VAL A 88 -15.914 -8.160 2.616 1.00 0.00 N ATOM 701 CA VAL A 88 -14.770 -8.490 1.774 1.00 0.00 C ATOM 702 C VAL A 88 -13.594 -7.569 2.075 1.00 0.00 C ATOM 703 O VAL A 88 -13.764 -6.358 2.231 1.00 0.00 O ATOM 704 CB VAL A 88 -15.119 -8.413 0.271 1.00 0.00 C ATOM 705 CG1 VAL A 88 -15.682 -7.043 -0.091 1.00 0.00 C ATOM 706 CG2 VAL A 88 -13.902 -8.743 -0.586 1.00 0.00 C ATOM 0 H VAL A 88 -16.479 -7.384 2.272 1.00 0.00 H new ATOM 0 HA VAL A 88 -14.491 -9.518 2.005 1.00 0.00 H new ATOM 0 HB VAL A 88 -15.889 -9.157 0.067 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -15.919 -7.016 -1.155 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -16.587 -6.857 0.487 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -14.943 -6.275 0.135 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -14.172 -8.682 -1.640 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -13.104 -8.031 -0.374 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -13.558 -9.752 -0.357 1.00 0.00 H new ATOM 716 N LEU A 89 -12.402 -8.153 2.155 1.00 0.00 N ATOM 717 CA LEU A 89 -11.189 -7.392 2.440 1.00 0.00 C ATOM 718 C LEU A 89 -10.072 -7.745 1.460 1.00 0.00 C ATOM 719 O LEU A 89 -10.196 -8.683 0.668 1.00 0.00 O ATOM 720 CB LEU A 89 -10.710 -7.646 3.874 1.00 0.00 C ATOM 721 CG LEU A 89 -11.812 -7.799 4.926 1.00 0.00 C ATOM 722 CD1 LEU A 89 -11.266 -8.479 6.173 1.00 0.00 C ATOM 723 CD2 LEU A 89 -12.412 -6.442 5.272 1.00 0.00 C ATOM 0 H LEU A 89 -12.250 -9.153 2.026 1.00 0.00 H new ATOM 0 HA LEU A 89 -11.434 -6.336 2.327 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -10.101 -8.550 3.879 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -10.061 -6.822 4.172 1.00 0.00 H new ATOM 0 HG LEU A 89 -12.601 -8.426 4.511 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -12.062 -8.580 6.911 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -10.886 -9.467 5.912 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -10.458 -7.878 6.591 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -13.193 -6.570 6.021 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -11.633 -5.790 5.668 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -12.839 -5.994 4.375 1.00 0.00 H new ATOM 735 N TYR A 90 -8.981 -6.987 1.526 1.00 0.00 N ATOM 736 CA TYR A 90 -7.834 -7.207 0.659 1.00 0.00 C ATOM 737 C TYR A 90 -6.593 -7.550 1.478 1.00 0.00 C ATOM 738 O TYR A 90 -5.987 -6.673 2.098 1.00 0.00 O ATOM 739 CB TYR A 90 -7.568 -5.962 -0.194 1.00 0.00 C ATOM 740 CG TYR A 90 -7.964 -6.126 -1.643 1.00 0.00 C ATOM 741 CD1 TYR A 90 -7.760 -7.328 -2.304 1.00 0.00 C ATOM 742 CD2 TYR A 90 -8.548 -5.080 -2.347 1.00 0.00 C ATOM 743 CE1 TYR A 90 -8.121 -7.487 -3.624 1.00 0.00 C ATOM 744 CE2 TYR A 90 -8.913 -5.229 -3.670 1.00 0.00 C ATOM 745 CZ TYR A 90 -8.699 -6.434 -4.305 1.00 0.00 C ATOM 746 OH TYR A 90 -9.062 -6.589 -5.624 1.00 0.00 O ATOM 0 H TYR A 90 -8.870 -6.210 2.177 1.00 0.00 H new ATOM 0 HA TYR A 90 -8.060 -8.048 0.003 1.00 0.00 H new ATOM 0 HB2 TYR A 90 -8.113 -5.118 0.230 1.00 0.00 H new ATOM 0 HB3 TYR A 90 -6.508 -5.715 -0.141 1.00 0.00 H new ATOM 0 HD1 TYR A 90 -7.310 -8.155 -1.774 1.00 0.00 H new ATOM 0 HD2 TYR A 90 -8.719 -4.136 -1.851 1.00 0.00 H new ATOM 0 HE1 TYR A 90 -7.953 -8.430 -4.123 1.00 0.00 H new ATOM 0 HE2 TYR A 90 -9.364 -4.406 -4.205 1.00 0.00 H new ATOM 0 HH TYR A 90 -9.455 -5.755 -5.955 1.00 0.00 H new ATOM 756 N LYS A 91 -6.214 -8.828 1.470 1.00 0.00 N ATOM 757 CA LYS A 91 -5.038 -9.285 2.203 1.00 0.00 C ATOM 758 C LYS A 91 -3.770 -8.735 1.550 1.00 0.00 C ATOM 759 O LYS A 91 -3.214 -9.347 0.636 1.00 0.00 O ATOM 760 CB LYS A 91 -4.999 -10.817 2.246 1.00 0.00 C ATOM 761 CG LYS A 91 -3.850 -11.383 3.066 1.00 0.00 C ATOM 762 CD LYS A 91 -3.979 -12.888 3.251 1.00 0.00 C ATOM 763 CE LYS A 91 -3.918 -13.625 1.919 1.00 0.00 C ATOM 764 NZ LYS A 91 -3.124 -14.883 2.005 1.00 0.00 N ATOM 0 H LYS A 91 -6.706 -9.564 0.963 1.00 0.00 H new ATOM 0 HA LYS A 91 -5.094 -8.915 3.227 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -5.940 -11.183 2.657 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -4.927 -11.197 1.227 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -2.905 -11.157 2.573 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -3.825 -10.897 4.041 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -3.181 -13.245 3.902 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -4.921 -13.114 3.750 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -4.930 -13.859 1.589 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -3.479 -12.972 1.165 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -3.111 -15.349 1.076 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -2.150 -14.660 2.294 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -3.556 -15.519 2.705 1.00 0.00 H new ATOM 778 N VAL A 92 -3.335 -7.565 2.010 1.00 0.00 N ATOM 779 CA VAL A 92 -2.150 -6.913 1.458 1.00 0.00 C ATOM 780 C VAL A 92 -0.970 -6.974 2.423 1.00 0.00 C ATOM 781 O VAL A 92 -1.157 -7.032 3.637 1.00 0.00 O ATOM 782 CB VAL A 92 -2.439 -5.438 1.104 1.00 0.00 C ATOM 783 CG1 VAL A 92 -3.652 -5.339 0.189 1.00 0.00 C ATOM 784 CG2 VAL A 92 -2.643 -4.606 2.367 1.00 0.00 C ATOM 0 H VAL A 92 -3.786 -7.048 2.765 1.00 0.00 H new ATOM 0 HA VAL A 92 -1.889 -7.458 0.551 1.00 0.00 H new ATOM 0 HB VAL A 92 -1.575 -5.037 0.574 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -3.842 -4.293 -0.051 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -3.461 -5.893 -0.730 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -4.523 -5.760 0.692 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -2.845 -3.571 2.092 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -3.487 -5.003 2.932 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -1.743 -4.649 2.981 1.00 0.00 H new ATOM 794 N LEU A 93 0.246 -6.942 1.871 1.00 0.00 N ATOM 795 CA LEU A 93 1.465 -6.977 2.674 1.00 0.00 C ATOM 796 C LEU A 93 2.041 -5.573 2.817 1.00 0.00 C ATOM 797 O LEU A 93 2.160 -4.843 1.835 1.00 0.00 O ATOM 798 CB LEU A 93 2.501 -7.909 2.034 1.00 0.00 C ATOM 799 CG LEU A 93 2.966 -9.070 2.916 1.00 0.00 C ATOM 800 CD1 LEU A 93 3.820 -10.045 2.119 1.00 0.00 C ATOM 801 CD2 LEU A 93 3.737 -8.550 4.120 1.00 0.00 C ATOM 0 H LEU A 93 0.410 -6.892 0.865 1.00 0.00 H new ATOM 0 HA LEU A 93 1.217 -7.359 3.664 1.00 0.00 H new ATOM 0 HB2 LEU A 93 2.080 -8.318 1.115 1.00 0.00 H new ATOM 0 HB3 LEU A 93 3.372 -7.318 1.750 1.00 0.00 H new ATOM 0 HG LEU A 93 2.083 -9.601 3.273 1.00 0.00 H new ATOM 0 HD11 LEU A 93 4.139 -10.862 2.766 1.00 0.00 H new ATOM 0 HD12 LEU A 93 3.237 -10.446 1.290 1.00 0.00 H new ATOM 0 HD13 LEU A 93 4.696 -9.527 1.730 1.00 0.00 H new ATOM 0 HD21 LEU A 93 4.060 -9.390 4.736 1.00 0.00 H new ATOM 0 HD22 LEU A 93 4.610 -7.993 3.780 1.00 0.00 H new ATOM 0 HD23 LEU A 93 3.095 -7.895 4.708 1.00 0.00 H new ATOM 813 N PHE A 94 2.396 -5.194 4.041 1.00 0.00 N ATOM 814 CA PHE A 94 2.955 -3.867 4.294 1.00 0.00 C ATOM 815 C PHE A 94 4.480 -3.896 4.251 1.00 0.00 C ATOM 816 O PHE A 94 5.094 -4.945 4.443 1.00 0.00 O ATOM 817 CB PHE A 94 2.493 -3.346 5.653 1.00 0.00 C ATOM 818 CG PHE A 94 1.154 -2.656 5.636 1.00 0.00 C ATOM 819 CD1 PHE A 94 0.015 -3.303 5.170 1.00 0.00 C ATOM 820 CD2 PHE A 94 1.034 -1.357 6.103 1.00 0.00 C ATOM 821 CE1 PHE A 94 -1.210 -2.665 5.174 1.00 0.00 C ATOM 822 CE2 PHE A 94 -0.186 -0.714 6.106 1.00 0.00 C ATOM 823 CZ PHE A 94 -1.310 -1.368 5.642 1.00 0.00 C ATOM 0 H PHE A 94 2.308 -5.782 4.870 1.00 0.00 H new ATOM 0 HA PHE A 94 2.597 -3.200 3.510 1.00 0.00 H new ATOM 0 HB2 PHE A 94 2.448 -4.181 6.352 1.00 0.00 H new ATOM 0 HB3 PHE A 94 3.241 -2.651 6.035 1.00 0.00 H new ATOM 0 HD1 PHE A 94 0.089 -4.315 4.801 1.00 0.00 H new ATOM 0 HD2 PHE A 94 1.909 -0.841 6.470 1.00 0.00 H new ATOM 0 HE1 PHE A 94 -2.088 -3.179 4.812 1.00 0.00 H new ATOM 0 HE2 PHE A 94 -0.262 0.300 6.471 1.00 0.00 H new ATOM 0 HZ PHE A 94 -2.267 -0.867 5.645 1.00 0.00 H new ATOM 833 N PHE A 95 5.088 -2.736 4.004 1.00 0.00 N ATOM 834 CA PHE A 95 6.543 -2.632 3.942 1.00 0.00 C ATOM 835 C PHE A 95 7.030 -1.352 4.620 1.00 0.00 C ATOM 836 O PHE A 95 6.367 -0.314 4.550 1.00 0.00 O ATOM 837 CB PHE A 95 7.021 -2.666 2.485 1.00 0.00 C ATOM 838 CG PHE A 95 6.425 -3.791 1.684 1.00 0.00 C ATOM 839 CD1 PHE A 95 6.770 -5.107 1.953 1.00 0.00 C ATOM 840 CD2 PHE A 95 5.519 -3.535 0.668 1.00 0.00 C ATOM 841 CE1 PHE A 95 6.220 -6.143 1.225 1.00 0.00 C ATOM 842 CE2 PHE A 95 4.966 -4.567 -0.062 1.00 0.00 C ATOM 843 CZ PHE A 95 5.317 -5.874 0.217 1.00 0.00 C ATOM 0 H PHE A 95 4.595 -1.857 3.844 1.00 0.00 H new ATOM 0 HA PHE A 95 6.963 -3.486 4.474 1.00 0.00 H new ATOM 0 HB2 PHE A 95 6.772 -1.719 2.007 1.00 0.00 H new ATOM 0 HB3 PHE A 95 8.107 -2.755 2.469 1.00 0.00 H new ATOM 0 HD1 PHE A 95 7.477 -5.324 2.741 1.00 0.00 H new ATOM 0 HD2 PHE A 95 5.242 -2.515 0.445 1.00 0.00 H new ATOM 0 HE1 PHE A 95 6.496 -7.164 1.444 1.00 0.00 H new ATOM 0 HE2 PHE A 95 4.260 -4.353 -0.851 1.00 0.00 H new ATOM 0 HZ PHE A 95 4.885 -6.684 -0.353 1.00 0.00 H new ATOM 853 N PRO A 96 8.199 -1.407 5.293 1.00 0.00 N ATOM 854 CA PRO A 96 9.014 -2.623 5.398 1.00 0.00 C ATOM 855 C PRO A 96 8.575 -3.534 6.551 1.00 0.00 C ATOM 856 O PRO A 96 7.524 -3.318 7.156 1.00 0.00 O ATOM 857 CB PRO A 96 10.407 -2.057 5.660 1.00 0.00 C ATOM 858 CG PRO A 96 10.170 -0.799 6.431 1.00 0.00 C ATOM 859 CD PRO A 96 8.819 -0.273 6.004 1.00 0.00 C ATOM 0 HA PRO A 96 8.940 -3.253 4.512 1.00 0.00 H new ATOM 0 HB2 PRO A 96 11.019 -2.759 6.227 1.00 0.00 H new ATOM 0 HB3 PRO A 96 10.934 -1.856 4.727 1.00 0.00 H new ATOM 0 HG2 PRO A 96 10.188 -0.994 7.503 1.00 0.00 H new ATOM 0 HG3 PRO A 96 10.952 -0.067 6.227 1.00 0.00 H new ATOM 0 HD2 PRO A 96 8.221 0.034 6.862 1.00 0.00 H new ATOM 0 HD3 PRO A 96 8.917 0.598 5.356 1.00 0.00 H new ATOM 867 N ASP A 97 9.394 -4.551 6.844 1.00 0.00 N ATOM 868 CA ASP A 97 9.119 -5.508 7.926 1.00 0.00 C ATOM 869 C ASP A 97 8.031 -6.527 7.552 1.00 0.00 C ATOM 870 O ASP A 97 7.814 -7.492 8.287 1.00 0.00 O ATOM 871 CB ASP A 97 8.726 -4.783 9.221 1.00 0.00 C ATOM 872 CG ASP A 97 9.608 -3.585 9.523 1.00 0.00 C ATOM 873 OD1 ASP A 97 10.848 -3.719 9.440 1.00 0.00 O ATOM 874 OD2 ASP A 97 9.058 -2.511 9.846 1.00 0.00 O ATOM 0 H ASP A 97 10.262 -4.735 6.341 1.00 0.00 H new ATOM 0 HA ASP A 97 10.046 -6.057 8.088 1.00 0.00 H new ATOM 0 HB2 ASP A 97 7.690 -4.454 9.146 1.00 0.00 H new ATOM 0 HB3 ASP A 97 8.778 -5.485 10.054 1.00 0.00 H new ATOM 879 N PHE A 98 7.355 -6.324 6.415 1.00 0.00 N ATOM 880 CA PHE A 98 6.308 -7.242 5.965 1.00 0.00 C ATOM 881 C PHE A 98 5.206 -7.385 7.016 1.00 0.00 C ATOM 882 O PHE A 98 5.109 -8.410 7.695 1.00 0.00 O ATOM 883 CB PHE A 98 6.915 -8.611 5.637 1.00 0.00 C ATOM 884 CG PHE A 98 7.666 -8.641 4.335 1.00 0.00 C ATOM 885 CD1 PHE A 98 8.765 -7.818 4.127 1.00 0.00 C ATOM 886 CD2 PHE A 98 7.275 -9.497 3.322 1.00 0.00 C ATOM 887 CE1 PHE A 98 9.453 -7.850 2.930 1.00 0.00 C ATOM 888 CE2 PHE A 98 7.959 -9.533 2.123 1.00 0.00 C ATOM 889 CZ PHE A 98 9.049 -8.710 1.925 1.00 0.00 C ATOM 0 H PHE A 98 7.516 -5.532 5.792 1.00 0.00 H new ATOM 0 HA PHE A 98 5.857 -6.827 5.064 1.00 0.00 H new ATOM 0 HB2 PHE A 98 7.589 -8.902 6.442 1.00 0.00 H new ATOM 0 HB3 PHE A 98 6.118 -9.354 5.604 1.00 0.00 H new ATOM 0 HD1 PHE A 98 9.085 -7.146 4.909 1.00 0.00 H new ATOM 0 HD2 PHE A 98 6.424 -10.145 3.470 1.00 0.00 H new ATOM 0 HE1 PHE A 98 10.305 -7.204 2.779 1.00 0.00 H new ATOM 0 HE2 PHE A 98 7.641 -10.205 1.340 1.00 0.00 H new ATOM 0 HZ PHE A 98 9.585 -8.737 0.988 1.00 0.00 H new ATOM 899 N ASN A 99 4.380 -6.347 7.148 1.00 0.00 N ATOM 900 CA ASN A 99 3.287 -6.353 8.122 1.00 0.00 C ATOM 901 C ASN A 99 1.924 -6.293 7.435 1.00 0.00 C ATOM 902 O ASN A 99 1.191 -5.308 7.558 1.00 0.00 O ATOM 903 CB ASN A 99 3.416 -5.176 9.083 1.00 0.00 C ATOM 904 CG ASN A 99 4.747 -5.133 9.816 1.00 0.00 C ATOM 905 OD1 ASN A 99 5.761 -5.625 9.322 1.00 0.00 O ATOM 906 ND2 ASN A 99 4.747 -4.536 11.004 1.00 0.00 N ATOM 0 H ASN A 99 4.446 -5.493 6.594 1.00 0.00 H new ATOM 0 HA ASN A 99 3.357 -7.288 8.678 1.00 0.00 H new ATOM 0 HB2 ASN A 99 3.287 -4.248 8.527 1.00 0.00 H new ATOM 0 HB3 ASN A 99 2.609 -5.224 9.814 1.00 0.00 H new ATOM 0 HD21 ASN A 99 5.611 -4.473 11.543 1.00 0.00 H new ATOM 0 HD22 ASN A 99 3.883 -4.141 11.376 1.00 0.00 H new ATOM 913 N PHE A 100 1.597 -7.349 6.708 1.00 0.00 N ATOM 914 CA PHE A 100 0.326 -7.443 5.983 1.00 0.00 C ATOM 915 C PHE A 100 -0.872 -7.088 6.872 1.00 0.00 C ATOM 916 O PHE A 100 -0.780 -7.110 8.102 1.00 0.00 O ATOM 917 CB PHE A 100 0.143 -8.845 5.395 1.00 0.00 C ATOM 918 CG PHE A 100 0.534 -9.956 6.328 1.00 0.00 C ATOM 919 CD1 PHE A 100 1.863 -10.303 6.493 1.00 0.00 C ATOM 920 CD2 PHE A 100 -0.431 -10.654 7.032 1.00 0.00 C ATOM 921 CE1 PHE A 100 2.225 -11.326 7.342 1.00 0.00 C ATOM 922 CE2 PHE A 100 -0.078 -11.679 7.881 1.00 0.00 C ATOM 923 CZ PHE A 100 1.254 -12.019 8.036 1.00 0.00 C ATOM 0 H PHE A 100 2.198 -8.166 6.600 1.00 0.00 H new ATOM 0 HA PHE A 100 0.366 -6.715 5.173 1.00 0.00 H new ATOM 0 HB2 PHE A 100 -0.901 -8.975 5.110 1.00 0.00 H new ATOM 0 HB3 PHE A 100 0.735 -8.925 4.483 1.00 0.00 H new ATOM 0 HD1 PHE A 100 2.626 -9.765 5.950 1.00 0.00 H new ATOM 0 HD2 PHE A 100 -1.472 -10.392 6.914 1.00 0.00 H new ATOM 0 HE1 PHE A 100 3.266 -11.585 7.464 1.00 0.00 H new ATOM 0 HE2 PHE A 100 -0.840 -12.217 8.425 1.00 0.00 H new ATOM 0 HZ PHE A 100 1.533 -12.825 8.699 1.00 0.00 H new ATOM 933 N ALA A 101 -1.992 -6.756 6.228 1.00 0.00 N ATOM 934 CA ALA A 101 -3.217 -6.380 6.931 1.00 0.00 C ATOM 935 C ALA A 101 -4.464 -6.755 6.125 1.00 0.00 C ATOM 936 O ALA A 101 -4.376 -7.075 4.937 1.00 0.00 O ATOM 937 CB ALA A 101 -3.210 -4.883 7.218 1.00 0.00 C ATOM 0 H ALA A 101 -2.075 -6.740 5.211 1.00 0.00 H new ATOM 0 HA ALA A 101 -3.250 -6.931 7.871 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -4.126 -4.609 7.742 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -2.349 -4.636 7.838 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -3.151 -4.333 6.279 1.00 0.00 H new ATOM 943 N TRP A 102 -5.624 -6.698 6.783 1.00 0.00 N ATOM 944 CA TRP A 102 -6.900 -7.019 6.143 1.00 0.00 C ATOM 945 C TRP A 102 -7.829 -5.805 6.161 1.00 0.00 C ATOM 946 O TRP A 102 -8.396 -5.461 7.200 1.00 0.00 O ATOM 947 CB TRP A 102 -7.575 -8.200 6.853 1.00 0.00 C ATOM 948 CG TRP A 102 -6.718 -9.429 6.929 1.00 0.00 C ATOM 949 CD1 TRP A 102 -5.772 -9.826 6.027 1.00 0.00 C ATOM 950 CD2 TRP A 102 -6.731 -10.423 7.961 1.00 0.00 C ATOM 951 NE1 TRP A 102 -5.195 -11.003 6.438 1.00 0.00 N ATOM 952 CE2 TRP A 102 -5.768 -11.391 7.620 1.00 0.00 C ATOM 953 CE3 TRP A 102 -7.464 -10.589 9.141 1.00 0.00 C ATOM 954 CZ2 TRP A 102 -5.518 -12.506 8.416 1.00 0.00 C ATOM 955 CZ3 TRP A 102 -7.214 -11.696 9.930 1.00 0.00 C ATOM 956 CH2 TRP A 102 -6.249 -12.642 9.564 1.00 0.00 C ATOM 0 H TRP A 102 -5.705 -6.431 7.764 1.00 0.00 H new ATOM 0 HA TRP A 102 -6.701 -7.296 5.108 1.00 0.00 H new ATOM 0 HB2 TRP A 102 -7.849 -7.896 7.863 1.00 0.00 H new ATOM 0 HB3 TRP A 102 -8.500 -8.445 6.332 1.00 0.00 H new ATOM 0 HD1 TRP A 102 -5.515 -9.293 5.123 1.00 0.00 H new ATOM 0 HE1 TRP A 102 -4.459 -11.507 5.943 1.00 0.00 H new ATOM 0 HE3 TRP A 102 -8.212 -9.865 9.430 1.00 0.00 H new ATOM 0 HZ2 TRP A 102 -4.774 -13.237 8.137 1.00 0.00 H new ATOM 0 HZ3 TRP A 102 -7.772 -11.834 10.844 1.00 0.00 H new ATOM 0 HH2 TRP A 102 -6.078 -13.497 10.201 1.00 0.00 H new ATOM 967 N VAL A 103 -7.979 -5.163 5.003 1.00 0.00 N ATOM 968 CA VAL A 103 -8.839 -3.986 4.878 1.00 0.00 C ATOM 969 C VAL A 103 -9.641 -4.032 3.580 1.00 0.00 C ATOM 970 O VAL A 103 -9.184 -4.586 2.581 1.00 0.00 O ATOM 971 CB VAL A 103 -8.022 -2.676 4.917 1.00 0.00 C ATOM 972 CG1 VAL A 103 -7.361 -2.494 6.274 1.00 0.00 C ATOM 973 CG2 VAL A 103 -6.982 -2.650 3.801 1.00 0.00 C ATOM 0 H VAL A 103 -7.516 -5.438 4.137 1.00 0.00 H new ATOM 0 HA VAL A 103 -9.520 -4.002 5.729 1.00 0.00 H new ATOM 0 HB VAL A 103 -8.709 -1.844 4.758 1.00 0.00 H new ATOM 0 HG11 VAL A 103 -6.791 -1.565 6.279 1.00 0.00 H new ATOM 0 HG12 VAL A 103 -8.126 -2.454 7.049 1.00 0.00 H new ATOM 0 HG13 VAL A 103 -6.691 -3.332 6.468 1.00 0.00 H new ATOM 0 HG21 VAL A 103 -6.420 -1.718 3.849 1.00 0.00 H new ATOM 0 HG22 VAL A 103 -6.300 -3.492 3.920 1.00 0.00 H new ATOM 0 HG23 VAL A 103 -7.483 -2.722 2.835 1.00 0.00 H new ATOM 983 N LYS A 104 -10.835 -3.443 3.598 1.00 0.00 N ATOM 984 CA LYS A 104 -11.690 -3.421 2.414 1.00 0.00 C ATOM 985 C LYS A 104 -11.053 -2.599 1.291 1.00 0.00 C ATOM 986 O LYS A 104 -10.183 -1.763 1.537 1.00 0.00 O ATOM 987 CB LYS A 104 -13.071 -2.855 2.754 1.00 0.00 C ATOM 988 CG LYS A 104 -13.780 -3.599 3.873 1.00 0.00 C ATOM 989 CD LYS A 104 -15.282 -3.382 3.820 1.00 0.00 C ATOM 990 CE LYS A 104 -16.039 -4.659 4.145 1.00 0.00 C ATOM 991 NZ LYS A 104 -17.437 -4.629 3.630 1.00 0.00 N ATOM 0 H LYS A 104 -11.230 -2.977 4.415 1.00 0.00 H new ATOM 0 HA LYS A 104 -11.805 -4.449 2.069 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -12.965 -1.808 3.037 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -13.694 -2.882 1.860 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -13.562 -4.664 3.798 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -13.396 -3.262 4.836 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -15.563 -2.601 4.526 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -15.566 -3.032 2.828 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -15.513 -5.511 3.715 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -16.054 -4.806 5.225 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -18.047 -5.202 4.248 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -17.781 -3.648 3.617 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -17.460 -5.017 2.665 1.00 0.00 H new ATOM 1005 N ARG A 105 -11.504 -2.840 0.058 1.00 0.00 N ATOM 1006 CA ARG A 105 -10.988 -2.121 -1.110 1.00 0.00 C ATOM 1007 C ARG A 105 -11.204 -0.613 -0.977 1.00 0.00 C ATOM 1008 O ARG A 105 -10.501 0.172 -1.615 1.00 0.00 O ATOM 1009 CB ARG A 105 -11.659 -2.619 -2.392 1.00 0.00 C ATOM 1010 CG ARG A 105 -11.768 -4.132 -2.489 1.00 0.00 C ATOM 1011 CD ARG A 105 -13.219 -4.578 -2.585 1.00 0.00 C ATOM 1012 NE ARG A 105 -13.814 -4.235 -3.876 1.00 0.00 N ATOM 1013 CZ ARG A 105 -13.452 -4.786 -5.038 1.00 0.00 C ATOM 1014 NH1 ARG A 105 -12.514 -5.728 -5.075 1.00 0.00 N ATOM 1015 NH2 ARG A 105 -14.034 -4.395 -6.167 1.00 0.00 N ATOM 0 H ARG A 105 -12.226 -3.528 -0.158 1.00 0.00 H new ATOM 0 HA ARG A 105 -9.917 -2.316 -1.163 1.00 0.00 H new ATOM 0 HB2 ARG A 105 -12.658 -2.189 -2.457 1.00 0.00 H new ATOM 0 HB3 ARG A 105 -11.097 -2.250 -3.250 1.00 0.00 H new ATOM 0 HG2 ARG A 105 -11.219 -4.483 -3.363 1.00 0.00 H new ATOM 0 HG3 ARG A 105 -11.302 -4.589 -1.616 1.00 0.00 H new ATOM 0 HD2 ARG A 105 -13.278 -5.656 -2.434 1.00 0.00 H new ATOM 0 HD3 ARG A 105 -13.795 -4.112 -1.785 1.00 0.00 H new ATOM 0 HE ARG A 105 -14.552 -3.531 -3.890 1.00 0.00 H new ATOM 0 HH11 ARG A 105 -12.065 -6.035 -4.212 1.00 0.00 H new ATOM 0 HH12 ARG A 105 -12.243 -6.144 -5.966 1.00 0.00 H new ATOM 0 HH21 ARG A 105 -14.756 -3.675 -6.146 1.00 0.00 H new ATOM 0 HH22 ARG A 105 -13.758 -4.815 -7.055 1.00 0.00 H new ATOM 1029 N ASN A 106 -12.174 -0.209 -0.151 1.00 0.00 N ATOM 1030 CA ASN A 106 -12.467 1.211 0.052 1.00 0.00 C ATOM 1031 C ASN A 106 -11.225 1.972 0.521 1.00 0.00 C ATOM 1032 O ASN A 106 -11.028 3.130 0.155 1.00 0.00 O ATOM 1033 CB ASN A 106 -13.615 1.409 1.054 1.00 0.00 C ATOM 1034 CG ASN A 106 -13.504 0.527 2.287 1.00 0.00 C ATOM 1035 OD1 ASN A 106 -12.410 0.263 2.783 1.00 0.00 O ATOM 1036 ND2 ASN A 106 -14.649 0.071 2.793 1.00 0.00 N ATOM 0 H ASN A 106 -12.767 -0.843 0.385 1.00 0.00 H new ATOM 0 HA ASN A 106 -12.778 1.615 -0.911 1.00 0.00 H new ATOM 0 HB2 ASN A 106 -13.639 2.453 1.365 1.00 0.00 H new ATOM 0 HB3 ASN A 106 -14.562 1.204 0.555 1.00 0.00 H new ATOM 0 HD21 ASN A 106 -14.640 -0.521 3.623 1.00 0.00 H new ATOM 0 HD22 ASN A 106 -15.535 0.314 2.350 1.00 0.00 H new ATOM 1043 N SER A 107 -10.384 1.312 1.321 1.00 0.00 N ATOM 1044 CA SER A 107 -9.158 1.934 1.821 1.00 0.00 C ATOM 1045 C SER A 107 -7.939 1.490 1.002 1.00 0.00 C ATOM 1046 O SER A 107 -6.799 1.693 1.421 1.00 0.00 O ATOM 1047 CB SER A 107 -8.945 1.591 3.300 1.00 0.00 C ATOM 1048 OG SER A 107 -10.178 1.357 3.962 1.00 0.00 O ATOM 0 H SER A 107 -10.529 0.352 1.634 1.00 0.00 H new ATOM 0 HA SER A 107 -9.268 3.014 1.719 1.00 0.00 H new ATOM 0 HB2 SER A 107 -8.313 0.707 3.382 1.00 0.00 H new ATOM 0 HB3 SER A 107 -8.416 2.408 3.792 1.00 0.00 H new ATOM 0 HG SER A 107 -10.762 0.822 3.386 1.00 0.00 H new ATOM 1054 N VAL A 108 -8.182 0.879 -0.163 1.00 0.00 N ATOM 1055 CA VAL A 108 -7.106 0.404 -1.028 1.00 0.00 C ATOM 1056 C VAL A 108 -7.187 1.041 -2.418 1.00 0.00 C ATOM 1057 O VAL A 108 -8.272 1.385 -2.891 1.00 0.00 O ATOM 1058 CB VAL A 108 -7.147 -1.130 -1.172 1.00 0.00 C ATOM 1059 CG1 VAL A 108 -6.053 -1.618 -2.113 1.00 0.00 C ATOM 1060 CG2 VAL A 108 -7.027 -1.799 0.192 1.00 0.00 C ATOM 0 H VAL A 108 -9.119 0.703 -0.526 1.00 0.00 H new ATOM 0 HA VAL A 108 -6.167 0.696 -0.558 1.00 0.00 H new ATOM 0 HB VAL A 108 -8.109 -1.406 -1.605 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -6.103 -2.704 -2.198 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -6.193 -1.170 -3.097 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -5.079 -1.330 -1.719 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -7.058 -2.882 0.070 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -6.083 -1.513 0.656 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -7.854 -1.482 0.827 1.00 0.00 H new ATOM 1070 N LYS A 109 -6.029 1.191 -3.064 1.00 0.00 N ATOM 1071 CA LYS A 109 -5.952 1.780 -4.400 1.00 0.00 C ATOM 1072 C LYS A 109 -4.747 1.238 -5.174 1.00 0.00 C ATOM 1073 O LYS A 109 -3.796 0.736 -4.579 1.00 0.00 O ATOM 1074 CB LYS A 109 -5.862 3.304 -4.303 1.00 0.00 C ATOM 1075 CG LYS A 109 -7.202 3.979 -4.062 1.00 0.00 C ATOM 1076 CD LYS A 109 -7.353 5.245 -4.893 1.00 0.00 C ATOM 1077 CE LYS A 109 -7.123 6.497 -4.058 1.00 0.00 C ATOM 1078 NZ LYS A 109 -6.590 7.622 -4.874 1.00 0.00 N ATOM 0 H LYS A 109 -5.127 0.910 -2.679 1.00 0.00 H new ATOM 0 HA LYS A 109 -6.859 1.506 -4.939 1.00 0.00 H new ATOM 0 HB2 LYS A 109 -5.181 3.569 -3.494 1.00 0.00 H new ATOM 0 HB3 LYS A 109 -5.429 3.693 -5.224 1.00 0.00 H new ATOM 0 HG2 LYS A 109 -8.007 3.286 -4.305 1.00 0.00 H new ATOM 0 HG3 LYS A 109 -7.301 4.224 -3.005 1.00 0.00 H new ATOM 0 HD2 LYS A 109 -6.644 5.224 -5.720 1.00 0.00 H new ATOM 0 HD3 LYS A 109 -8.351 5.277 -5.330 1.00 0.00 H new ATOM 0 HE2 LYS A 109 -8.061 6.800 -3.593 1.00 0.00 H new ATOM 0 HE3 LYS A 109 -6.425 6.272 -3.252 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 -6.448 8.454 -4.267 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 -5.682 7.344 -5.298 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 -7.267 7.855 -5.628 1.00 0.00 H new ATOM 1092 N PRO A 110 -4.772 1.334 -6.517 1.00 0.00 N ATOM 1093 CA PRO A 110 -3.680 0.853 -7.372 1.00 0.00 C ATOM 1094 C PRO A 110 -2.443 1.749 -7.290 1.00 0.00 C ATOM 1095 O PRO A 110 -2.526 2.956 -7.523 1.00 0.00 O ATOM 1096 CB PRO A 110 -4.272 0.893 -8.791 1.00 0.00 C ATOM 1097 CG PRO A 110 -5.730 1.187 -8.618 1.00 0.00 C ATOM 1098 CD PRO A 110 -5.860 1.912 -7.312 1.00 0.00 C ATOM 0 HA PRO A 110 -3.342 -0.138 -7.070 1.00 0.00 H new ATOM 0 HB2 PRO A 110 -3.788 1.660 -9.395 1.00 0.00 H new ATOM 0 HB3 PRO A 110 -4.123 -0.057 -9.304 1.00 0.00 H new ATOM 0 HG2 PRO A 110 -6.104 1.797 -9.440 1.00 0.00 H new ATOM 0 HG3 PRO A 110 -6.314 0.267 -8.612 1.00 0.00 H new ATOM 0 HD2 PRO A 110 -5.746 2.989 -7.433 1.00 0.00 H new ATOM 0 HD3 PRO A 110 -6.833 1.744 -6.850 1.00 0.00 H new ATOM 1106 N LEU A 111 -1.297 1.149 -6.963 1.00 0.00 N ATOM 1107 CA LEU A 111 -0.043 1.893 -6.858 1.00 0.00 C ATOM 1108 C LEU A 111 0.816 1.686 -8.103 1.00 0.00 C ATOM 1109 O LEU A 111 0.868 0.586 -8.655 1.00 0.00 O ATOM 1110 CB LEU A 111 0.728 1.460 -5.607 1.00 0.00 C ATOM 1111 CG LEU A 111 1.743 2.481 -5.083 1.00 0.00 C ATOM 1112 CD1 LEU A 111 1.084 3.836 -4.871 1.00 0.00 C ATOM 1113 CD2 LEU A 111 2.379 1.983 -3.791 1.00 0.00 C ATOM 0 H LEU A 111 -1.213 0.152 -6.767 1.00 0.00 H new ATOM 0 HA LEU A 111 -0.281 2.954 -6.777 1.00 0.00 H new ATOM 0 HB2 LEU A 111 0.012 1.244 -4.815 1.00 0.00 H new ATOM 0 HB3 LEU A 111 1.252 0.530 -5.826 1.00 0.00 H new ATOM 0 HG LEU A 111 2.528 2.600 -5.830 1.00 0.00 H new ATOM 0 HD11 LEU A 111 1.823 4.546 -4.499 1.00 0.00 H new ATOM 0 HD12 LEU A 111 0.680 4.196 -5.817 1.00 0.00 H new ATOM 0 HD13 LEU A 111 0.277 3.738 -4.145 1.00 0.00 H new ATOM 0 HD21 LEU A 111 3.098 2.720 -3.432 1.00 0.00 H new ATOM 0 HD22 LEU A 111 1.605 1.834 -3.038 1.00 0.00 H new ATOM 0 HD23 LEU A 111 2.890 1.039 -3.978 1.00 0.00 H new ATOM 1125 N LEU A 112 1.485 2.753 -8.546 1.00 0.00 N ATOM 1126 CA LEU A 112 2.336 2.687 -9.732 1.00 0.00 C ATOM 1127 C LEU A 112 3.807 2.847 -9.371 1.00 0.00 C ATOM 1128 O LEU A 112 4.150 3.140 -8.226 1.00 0.00 O ATOM 1129 CB LEU A 112 1.937 3.774 -10.729 1.00 0.00 C ATOM 1130 CG LEU A 112 0.511 3.676 -11.268 1.00 0.00 C ATOM 1131 CD1 LEU A 112 0.260 4.778 -12.280 1.00 0.00 C ATOM 1132 CD2 LEU A 112 0.263 2.309 -11.891 1.00 0.00 C ATOM 0 H LEU A 112 1.453 3.670 -8.101 1.00 0.00 H new ATOM 0 HA LEU A 112 2.197 1.705 -10.184 1.00 0.00 H new ATOM 0 HB2 LEU A 112 2.061 4.746 -10.250 1.00 0.00 H new ATOM 0 HB3 LEU A 112 2.629 3.743 -11.571 1.00 0.00 H new ATOM 0 HG LEU A 112 -0.184 3.799 -10.437 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -0.759 4.699 -12.658 1.00 0.00 H new ATOM 0 HD12 LEU A 112 0.396 5.748 -11.803 1.00 0.00 H new ATOM 0 HD13 LEU A 112 0.963 4.679 -13.107 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -0.758 2.261 -12.268 1.00 0.00 H new ATOM 0 HD22 LEU A 112 0.961 2.152 -12.713 1.00 0.00 H new ATOM 0 HD23 LEU A 112 0.408 1.534 -11.138 1.00 0.00 H new ATOM 1144 N ASP A 113 4.674 2.668 -10.366 1.00 0.00 N ATOM 1145 CA ASP A 113 6.114 2.805 -10.162 1.00 0.00 C ATOM 1146 C ASP A 113 6.515 4.276 -10.121 1.00 0.00 C ATOM 1147 O ASP A 113 7.377 4.670 -9.336 1.00 0.00 O ATOM 1148 CB ASP A 113 6.891 2.081 -11.266 1.00 0.00 C ATOM 1149 CG ASP A 113 8.148 1.419 -10.739 1.00 0.00 C ATOM 1150 OD1 ASP A 113 8.041 0.316 -10.163 1.00 0.00 O ATOM 1151 OD2 ASP A 113 9.240 2.007 -10.896 1.00 0.00 O ATOM 0 H ASP A 113 4.404 2.428 -11.320 1.00 0.00 H new ATOM 0 HA ASP A 113 6.362 2.348 -9.204 1.00 0.00 H new ATOM 0 HB2 ASP A 113 6.251 1.328 -11.725 1.00 0.00 H new ATOM 0 HB3 ASP A 113 7.157 2.793 -12.048 1.00 0.00 H new ATOM 1156 N SER A 114 5.879 5.086 -10.970 1.00 0.00 N ATOM 1157 CA SER A 114 6.164 6.518 -11.025 1.00 0.00 C ATOM 1158 C SER A 114 5.682 7.215 -9.755 1.00 0.00 C ATOM 1159 O SER A 114 6.365 8.092 -9.221 1.00 0.00 O ATOM 1160 CB SER A 114 5.504 7.153 -12.254 1.00 0.00 C ATOM 1161 OG SER A 114 6.345 8.134 -12.835 1.00 0.00 O ATOM 0 H SER A 114 5.164 4.774 -11.627 1.00 0.00 H new ATOM 0 HA SER A 114 7.244 6.643 -11.103 1.00 0.00 H new ATOM 0 HB2 SER A 114 5.279 6.381 -12.990 1.00 0.00 H new ATOM 0 HB3 SER A 114 4.555 7.606 -11.967 1.00 0.00 H new ATOM 0 HG SER A 114 5.902 8.523 -13.618 1.00 0.00 H new ATOM 1167 N GLU A 115 4.502 6.818 -9.273 1.00 0.00 N ATOM 1168 CA GLU A 115 3.930 7.405 -8.061 1.00 0.00 C ATOM 1169 C GLU A 115 4.833 7.158 -6.854 1.00 0.00 C ATOM 1170 O GLU A 115 5.122 8.076 -6.092 1.00 0.00 O ATOM 1171 CB GLU A 115 2.531 6.844 -7.797 1.00 0.00 C ATOM 1172 CG GLU A 115 1.467 7.401 -8.730 1.00 0.00 C ATOM 1173 CD GLU A 115 0.099 7.480 -8.079 1.00 0.00 C ATOM 1174 OE1 GLU A 115 -0.305 6.497 -7.421 1.00 0.00 O ATOM 1175 OE2 GLU A 115 -0.569 8.526 -8.229 1.00 0.00 O ATOM 0 H GLU A 115 3.926 6.094 -9.703 1.00 0.00 H new ATOM 0 HA GLU A 115 3.851 8.481 -8.216 1.00 0.00 H new ATOM 0 HB2 GLU A 115 2.559 5.759 -7.897 1.00 0.00 H new ATOM 0 HB3 GLU A 115 2.249 7.062 -6.767 1.00 0.00 H new ATOM 0 HG2 GLU A 115 1.765 8.396 -9.061 1.00 0.00 H new ATOM 0 HG3 GLU A 115 1.406 6.774 -9.620 1.00 0.00 H new ATOM 1182 N ILE A 116 5.282 5.916 -6.688 1.00 0.00 N ATOM 1183 CA ILE A 116 6.165 5.572 -5.576 1.00 0.00 C ATOM 1184 C ILE A 116 7.520 6.257 -5.747 1.00 0.00 C ATOM 1185 O ILE A 116 8.097 6.761 -4.783 1.00 0.00 O ATOM 1186 CB ILE A 116 6.378 4.045 -5.454 1.00 0.00 C ATOM 1187 CG1 ILE A 116 5.032 3.317 -5.373 1.00 0.00 C ATOM 1188 CG2 ILE A 116 7.230 3.722 -4.232 1.00 0.00 C ATOM 1189 CD1 ILE A 116 5.114 1.852 -5.747 1.00 0.00 C ATOM 0 H ILE A 116 5.051 5.136 -7.304 1.00 0.00 H new ATOM 0 HA ILE A 116 5.682 5.921 -4.663 1.00 0.00 H new ATOM 0 HB ILE A 116 6.903 3.700 -6.345 1.00 0.00 H new ATOM 0 HG12 ILE A 116 4.642 3.404 -4.359 1.00 0.00 H new ATOM 0 HG13 ILE A 116 4.320 3.813 -6.032 1.00 0.00 H new ATOM 0 HG21 ILE A 116 7.370 2.643 -4.161 1.00 0.00 H new ATOM 0 HG22 ILE A 116 8.201 4.209 -4.326 1.00 0.00 H new ATOM 0 HG23 ILE A 116 6.729 4.083 -3.334 1.00 0.00 H new ATOM 0 HD11 ILE A 116 4.125 1.400 -5.667 1.00 0.00 H new ATOM 0 HD12 ILE A 116 5.474 1.758 -6.771 1.00 0.00 H new ATOM 0 HD13 ILE A 116 5.801 1.342 -5.072 1.00 0.00 H new ATOM 1201 N ALA A 117 8.007 6.283 -6.987 1.00 0.00 N ATOM 1202 CA ALA A 117 9.281 6.919 -7.310 1.00 0.00 C ATOM 1203 C ALA A 117 9.288 8.372 -6.860 1.00 0.00 C ATOM 1204 O ALA A 117 10.111 8.783 -6.041 1.00 0.00 O ATOM 1205 CB ALA A 117 9.522 6.850 -8.808 1.00 0.00 C ATOM 0 H ALA A 117 7.533 5.867 -7.789 1.00 0.00 H new ATOM 0 HA ALA A 117 10.075 6.388 -6.785 1.00 0.00 H new ATOM 0 HB1 ALA A 117 10.474 7.326 -9.046 1.00 0.00 H new ATOM 0 HB2 ALA A 117 9.548 5.807 -9.125 1.00 0.00 H new ATOM 0 HB3 ALA A 117 8.717 7.368 -9.330 1.00 0.00 H new ATOM 1211 N LYS A 118 8.351 9.140 -7.407 1.00 0.00 N ATOM 1212 CA LYS A 118 8.215 10.552 -7.082 1.00 0.00 C ATOM 1213 C LYS A 118 7.861 10.736 -5.614 1.00 0.00 C ATOM 1214 O LYS A 118 8.372 11.641 -4.957 1.00 0.00 O ATOM 1215 CB LYS A 118 7.153 11.184 -7.987 1.00 0.00 C ATOM 1216 CG LYS A 118 5.920 11.695 -7.262 1.00 0.00 C ATOM 1217 CD LYS A 118 4.870 10.604 -7.171 1.00 0.00 C ATOM 1218 CE LYS A 118 3.570 11.014 -7.848 1.00 0.00 C ATOM 1219 NZ LYS A 118 2.379 10.403 -7.190 1.00 0.00 N ATOM 0 H LYS A 118 7.668 8.801 -8.085 1.00 0.00 H new ATOM 0 HA LYS A 118 9.168 11.052 -7.255 1.00 0.00 H new ATOM 0 HB2 LYS A 118 7.606 12.012 -8.532 1.00 0.00 H new ATOM 0 HB3 LYS A 118 6.842 10.447 -8.728 1.00 0.00 H new ATOM 0 HG2 LYS A 118 6.192 12.031 -6.261 1.00 0.00 H new ATOM 0 HG3 LYS A 118 5.512 12.558 -7.788 1.00 0.00 H new ATOM 0 HD2 LYS A 118 5.250 9.694 -7.635 1.00 0.00 H new ATOM 0 HD3 LYS A 118 4.677 10.371 -6.124 1.00 0.00 H new ATOM 0 HE2 LYS A 118 3.478 12.100 -7.828 1.00 0.00 H new ATOM 0 HE3 LYS A 118 3.598 10.716 -8.896 1.00 0.00 H new ATOM 0 HZ1 LYS A 118 1.647 10.214 -7.904 1.00 0.00 H new ATOM 0 HZ2 LYS A 118 2.655 9.511 -6.733 1.00 0.00 H new ATOM 0 HZ3 LYS A 118 2.004 11.057 -6.474 1.00 0.00 H new ATOM 1233 N PHE A 119 6.974 9.876 -5.107 1.00 0.00 N ATOM 1234 CA PHE A 119 6.549 9.949 -3.706 1.00 0.00 C ATOM 1235 C PHE A 119 7.752 10.102 -2.786 1.00 0.00 C ATOM 1236 O PHE A 119 7.835 11.052 -2.010 1.00 0.00 O ATOM 1237 CB PHE A 119 5.756 8.700 -3.308 1.00 0.00 C ATOM 1238 CG PHE A 119 5.419 8.643 -1.842 1.00 0.00 C ATOM 1239 CD1 PHE A 119 6.365 8.220 -0.919 1.00 0.00 C ATOM 1240 CD2 PHE A 119 4.162 9.005 -1.390 1.00 0.00 C ATOM 1241 CE1 PHE A 119 6.061 8.161 0.425 1.00 0.00 C ATOM 1242 CE2 PHE A 119 3.853 8.947 -0.047 1.00 0.00 C ATOM 1243 CZ PHE A 119 4.805 8.524 0.861 1.00 0.00 C ATOM 0 H PHE A 119 6.538 9.125 -5.642 1.00 0.00 H new ATOM 0 HA PHE A 119 5.906 10.823 -3.601 1.00 0.00 H new ATOM 0 HB2 PHE A 119 4.833 8.666 -3.886 1.00 0.00 H new ATOM 0 HB3 PHE A 119 6.332 7.814 -3.575 1.00 0.00 H new ATOM 0 HD1 PHE A 119 7.350 7.934 -1.257 1.00 0.00 H new ATOM 0 HD2 PHE A 119 3.415 9.336 -2.096 1.00 0.00 H new ATOM 0 HE1 PHE A 119 6.806 7.831 1.134 1.00 0.00 H new ATOM 0 HE2 PHE A 119 2.869 9.232 0.294 1.00 0.00 H new ATOM 0 HZ PHE A 119 4.565 8.478 1.913 1.00 0.00 H new ATOM 1253 N LEU A 120 8.679 9.156 -2.881 1.00 0.00 N ATOM 1254 CA LEU A 120 9.879 9.178 -2.057 1.00 0.00 C ATOM 1255 C LEU A 120 10.720 10.417 -2.349 1.00 0.00 C ATOM 1256 O LEU A 120 11.375 10.961 -1.455 1.00 0.00 O ATOM 1257 CB LEU A 120 10.704 7.923 -2.298 1.00 0.00 C ATOM 1258 CG LEU A 120 9.998 6.613 -1.938 1.00 0.00 C ATOM 1259 CD1 LEU A 120 10.331 5.531 -2.955 1.00 0.00 C ATOM 1260 CD2 LEU A 120 10.389 6.174 -0.539 1.00 0.00 C ATOM 0 H LEU A 120 8.621 8.364 -3.521 1.00 0.00 H new ATOM 0 HA LEU A 120 9.572 9.210 -1.012 1.00 0.00 H new ATOM 0 HB2 LEU A 120 10.989 7.889 -3.349 1.00 0.00 H new ATOM 0 HB3 LEU A 120 11.625 7.994 -1.720 1.00 0.00 H new ATOM 0 HG LEU A 120 8.921 6.779 -1.959 1.00 0.00 H new ATOM 0 HD11 LEU A 120 9.821 4.607 -2.683 1.00 0.00 H new ATOM 0 HD12 LEU A 120 10.004 5.849 -3.945 1.00 0.00 H new ATOM 0 HD13 LEU A 120 11.408 5.361 -2.966 1.00 0.00 H new ATOM 0 HD21 LEU A 120 9.880 5.241 -0.295 1.00 0.00 H new ATOM 0 HD22 LEU A 120 11.467 6.022 -0.493 1.00 0.00 H new ATOM 0 HD23 LEU A 120 10.100 6.943 0.178 1.00 0.00 H new ATOM 1272 N GLY A 121 10.685 10.873 -3.605 1.00 0.00 N ATOM 1273 CA GLY A 121 11.433 12.055 -3.990 1.00 0.00 C ATOM 1274 C GLY A 121 10.594 13.319 -3.902 1.00 0.00 C ATOM 1275 O GLY A 121 10.916 14.325 -4.538 1.00 0.00 O ATOM 0 H GLY A 121 10.151 10.441 -4.359 1.00 0.00 H new ATOM 0 HA2 GLY A 121 12.307 12.155 -3.346 1.00 0.00 H new ATOM 0 HA3 GLY A 121 11.800 11.935 -5.009 1.00 0.00 H new ATOM 1369 N SER A 127 9.493 11.635 5.751 1.00 0.00 N ATOM 1370 CA SER A 127 9.711 11.008 7.048 1.00 0.00 C ATOM 1371 C SER A 127 10.429 9.674 6.875 1.00 0.00 C ATOM 1372 O SER A 127 10.172 8.949 5.917 1.00 0.00 O ATOM 1373 CB SER A 127 8.376 10.796 7.768 1.00 0.00 C ATOM 1374 OG SER A 127 8.570 10.595 9.156 1.00 0.00 O ATOM 0 HA SER A 127 10.334 11.668 7.652 1.00 0.00 H new ATOM 0 HB2 SER A 127 7.733 11.662 7.609 1.00 0.00 H new ATOM 0 HB3 SER A 127 7.862 9.935 7.341 1.00 0.00 H new ATOM 0 HG SER A 127 7.702 10.464 9.592 1.00 0.00 H new ATOM 1380 N LYS A 128 11.328 9.353 7.804 1.00 0.00 N ATOM 1381 CA LYS A 128 12.073 8.096 7.740 1.00 0.00 C ATOM 1382 C LYS A 128 11.115 6.907 7.704 1.00 0.00 C ATOM 1383 O LYS A 128 11.357 5.928 6.997 1.00 0.00 O ATOM 1384 CB LYS A 128 13.027 7.969 8.933 1.00 0.00 C ATOM 1385 CG LYS A 128 14.248 7.104 8.648 1.00 0.00 C ATOM 1386 CD LYS A 128 15.267 7.188 9.773 1.00 0.00 C ATOM 1387 CE LYS A 128 16.690 7.212 9.236 1.00 0.00 C ATOM 1388 NZ LYS A 128 17.670 7.623 10.281 1.00 0.00 N ATOM 0 H LYS A 128 11.557 9.941 8.605 1.00 0.00 H new ATOM 0 HA LYS A 128 12.663 8.098 6.824 1.00 0.00 H new ATOM 0 HB2 LYS A 128 13.358 8.964 9.230 1.00 0.00 H new ATOM 0 HB3 LYS A 128 12.483 7.548 9.779 1.00 0.00 H new ATOM 0 HG2 LYS A 128 13.937 6.068 8.514 1.00 0.00 H new ATOM 0 HG3 LYS A 128 14.710 7.422 7.713 1.00 0.00 H new ATOM 0 HD2 LYS A 128 15.085 8.086 10.364 1.00 0.00 H new ATOM 0 HD3 LYS A 128 15.144 6.336 10.441 1.00 0.00 H new ATOM 0 HE2 LYS A 128 16.953 6.223 8.860 1.00 0.00 H new ATOM 0 HE3 LYS A 128 16.748 7.900 8.392 1.00 0.00 H new ATOM 0 HZ1 LYS A 128 18.628 7.627 9.876 1.00 0.00 H new ATOM 0 HZ2 LYS A 128 17.434 8.577 10.622 1.00 0.00 H new ATOM 0 HZ3 LYS A 128 17.633 6.952 11.075 1.00 0.00 H new ATOM 1402 N GLU A 129 10.022 7.008 8.462 1.00 0.00 N ATOM 1403 CA GLU A 129 9.016 5.950 8.509 1.00 0.00 C ATOM 1404 C GLU A 129 8.188 5.927 7.225 1.00 0.00 C ATOM 1405 O GLU A 129 7.736 4.867 6.790 1.00 0.00 O ATOM 1406 CB GLU A 129 8.094 6.141 9.718 1.00 0.00 C ATOM 1407 CG GLU A 129 8.720 5.708 11.035 1.00 0.00 C ATOM 1408 CD GLU A 129 7.927 6.166 12.247 1.00 0.00 C ATOM 1409 OE1 GLU A 129 7.420 7.310 12.234 1.00 0.00 O ATOM 1410 OE2 GLU A 129 7.814 5.382 13.212 1.00 0.00 O ATOM 0 H GLU A 129 9.812 7.813 9.052 1.00 0.00 H new ATOM 0 HA GLU A 129 9.536 4.997 8.604 1.00 0.00 H new ATOM 0 HB2 GLU A 129 7.812 7.192 9.787 1.00 0.00 H new ATOM 0 HB3 GLU A 129 7.176 5.575 9.558 1.00 0.00 H new ATOM 0 HG2 GLU A 129 8.803 4.621 11.052 1.00 0.00 H new ATOM 0 HG3 GLU A 129 9.733 6.106 11.098 1.00 0.00 H new ATOM 1417 N LEU A 130 7.989 7.102 6.619 1.00 0.00 N ATOM 1418 CA LEU A 130 7.210 7.199 5.387 1.00 0.00 C ATOM 1419 C LEU A 130 8.042 6.790 4.178 1.00 0.00 C ATOM 1420 O LEU A 130 7.586 6.011 3.341 1.00 0.00 O ATOM 1421 CB LEU A 130 6.662 8.618 5.202 1.00 0.00 C ATOM 1422 CG LEU A 130 5.705 8.796 4.018 1.00 0.00 C ATOM 1423 CD1 LEU A 130 4.366 8.129 4.302 1.00 0.00 C ATOM 1424 CD2 LEU A 130 5.511 10.274 3.700 1.00 0.00 C ATOM 0 H LEU A 130 8.355 7.991 6.961 1.00 0.00 H new ATOM 0 HA LEU A 130 6.369 6.510 5.470 1.00 0.00 H new ATOM 0 HB2 LEU A 130 6.145 8.913 6.115 1.00 0.00 H new ATOM 0 HB3 LEU A 130 7.502 9.302 5.076 1.00 0.00 H new ATOM 0 HG LEU A 130 6.149 8.314 3.147 1.00 0.00 H new ATOM 0 HD11 LEU A 130 3.702 8.268 3.449 1.00 0.00 H new ATOM 0 HD12 LEU A 130 4.519 7.063 4.473 1.00 0.00 H new ATOM 0 HD13 LEU A 130 3.917 8.578 5.188 1.00 0.00 H new ATOM 0 HD21 LEU A 130 4.828 10.378 2.857 1.00 0.00 H new ATOM 0 HD22 LEU A 130 5.094 10.782 4.570 1.00 0.00 H new ATOM 0 HD23 LEU A 130 6.472 10.721 3.446 1.00 0.00 H new ATOM 1436 N ILE A 131 9.266 7.310 4.087 1.00 0.00 N ATOM 1437 CA ILE A 131 10.147 6.977 2.974 1.00 0.00 C ATOM 1438 C ILE A 131 10.424 5.480 2.944 1.00 0.00 C ATOM 1439 O ILE A 131 10.213 4.827 1.925 1.00 0.00 O ATOM 1440 CB ILE A 131 11.491 7.735 3.041 1.00 0.00 C ATOM 1441 CG1 ILE A 131 11.261 9.250 3.060 1.00 0.00 C ATOM 1442 CG2 ILE A 131 12.374 7.346 1.861 1.00 0.00 C ATOM 1443 CD1 ILE A 131 12.447 10.036 3.585 1.00 0.00 C ATOM 0 H ILE A 131 9.665 7.958 4.766 1.00 0.00 H new ATOM 0 HA ILE A 131 9.629 7.282 2.064 1.00 0.00 H new ATOM 0 HB ILE A 131 11.997 7.456 3.965 1.00 0.00 H new ATOM 0 HG12 ILE A 131 11.031 9.587 2.049 1.00 0.00 H new ATOM 0 HG13 ILE A 131 10.389 9.469 3.676 1.00 0.00 H new ATOM 0 HG21 ILE A 131 13.318 7.887 1.919 1.00 0.00 H new ATOM 0 HG22 ILE A 131 12.568 6.274 1.889 1.00 0.00 H new ATOM 0 HG23 ILE A 131 11.868 7.599 0.929 1.00 0.00 H new ATOM 0 HD11 ILE A 131 12.213 11.101 3.570 1.00 0.00 H new ATOM 0 HD12 ILE A 131 12.665 9.727 4.607 1.00 0.00 H new ATOM 0 HD13 ILE A 131 13.317 9.846 2.956 1.00 0.00 H new ATOM 1455 N GLU A 132 10.885 4.936 4.071 1.00 0.00 N ATOM 1456 CA GLU A 132 11.173 3.508 4.163 1.00 0.00 C ATOM 1457 C GLU A 132 9.973 2.688 3.699 1.00 0.00 C ATOM 1458 O GLU A 132 10.131 1.573 3.202 1.00 0.00 O ATOM 1459 CB GLU A 132 11.548 3.124 5.597 1.00 0.00 C ATOM 1460 CG GLU A 132 13.041 3.203 5.874 1.00 0.00 C ATOM 1461 CD GLU A 132 13.696 1.835 5.942 1.00 0.00 C ATOM 1462 OE1 GLU A 132 13.455 1.015 5.031 1.00 0.00 O ATOM 1463 OE2 GLU A 132 14.451 1.587 6.907 1.00 0.00 O ATOM 0 H GLU A 132 11.065 5.461 4.927 1.00 0.00 H new ATOM 0 HA GLU A 132 12.019 3.290 3.511 1.00 0.00 H new ATOM 0 HB2 GLU A 132 11.022 3.781 6.290 1.00 0.00 H new ATOM 0 HB3 GLU A 132 11.203 2.109 5.795 1.00 0.00 H new ATOM 0 HG2 GLU A 132 13.521 3.793 5.093 1.00 0.00 H new ATOM 0 HG3 GLU A 132 13.205 3.727 6.816 1.00 0.00 H new ATOM 1470 N ALA A 133 8.775 3.249 3.855 1.00 0.00 N ATOM 1471 CA ALA A 133 7.554 2.574 3.444 1.00 0.00 C ATOM 1472 C ALA A 133 7.488 2.425 1.935 1.00 0.00 C ATOM 1473 O ALA A 133 7.418 1.310 1.417 1.00 0.00 O ATOM 1474 CB ALA A 133 6.338 3.329 3.951 1.00 0.00 C ATOM 0 H ALA A 133 8.628 4.172 4.264 1.00 0.00 H new ATOM 0 HA ALA A 133 7.560 1.575 3.881 1.00 0.00 H new ATOM 0 HB1 ALA A 133 5.431 2.812 3.636 1.00 0.00 H new ATOM 0 HB2 ALA A 133 6.368 3.378 5.039 1.00 0.00 H new ATOM 0 HB3 ALA A 133 6.340 4.339 3.542 1.00 0.00 H new ATOM 1480 N TYR A 134 7.508 3.551 1.233 1.00 0.00 N ATOM 1481 CA TYR A 134 7.450 3.529 -0.224 1.00 0.00 C ATOM 1482 C TYR A 134 8.743 2.966 -0.808 1.00 0.00 C ATOM 1483 O TYR A 134 8.741 2.390 -1.896 1.00 0.00 O ATOM 1484 CB TYR A 134 7.160 4.923 -0.779 1.00 0.00 C ATOM 1485 CG TYR A 134 5.682 5.251 -0.828 1.00 0.00 C ATOM 1486 CD1 TYR A 134 4.929 5.333 0.337 1.00 0.00 C ATOM 1487 CD2 TYR A 134 5.041 5.485 -2.037 1.00 0.00 C ATOM 1488 CE1 TYR A 134 3.584 5.642 0.297 1.00 0.00 C ATOM 1489 CE2 TYR A 134 3.694 5.792 -2.086 1.00 0.00 C ATOM 1490 CZ TYR A 134 2.970 5.871 -0.915 1.00 0.00 C ATOM 1491 OH TYR A 134 1.632 6.190 -0.960 1.00 0.00 O ATOM 0 H TYR A 134 7.563 4.483 1.644 1.00 0.00 H new ATOM 0 HA TYR A 134 6.632 2.873 -0.521 1.00 0.00 H new ATOM 0 HB2 TYR A 134 7.670 5.665 -0.164 1.00 0.00 H new ATOM 0 HB3 TYR A 134 7.576 5.001 -1.783 1.00 0.00 H new ATOM 0 HD1 TYR A 134 5.404 5.152 1.290 1.00 0.00 H new ATOM 0 HD2 TYR A 134 5.605 5.426 -2.956 1.00 0.00 H new ATOM 0 HE1 TYR A 134 3.015 5.704 1.213 1.00 0.00 H new ATOM 0 HE2 TYR A 134 3.211 5.969 -3.036 1.00 0.00 H new ATOM 0 HH TYR A 134 1.227 6.026 -0.083 1.00 0.00 H new ATOM 1501 N GLU A 135 9.842 3.114 -0.067 1.00 0.00 N ATOM 1502 CA GLU A 135 11.131 2.594 -0.503 1.00 0.00 C ATOM 1503 C GLU A 135 11.169 1.077 -0.351 1.00 0.00 C ATOM 1504 O GLU A 135 11.859 0.389 -1.105 1.00 0.00 O ATOM 1505 CB GLU A 135 12.270 3.224 0.301 1.00 0.00 C ATOM 1506 CG GLU A 135 13.544 3.419 -0.509 1.00 0.00 C ATOM 1507 CD GLU A 135 14.650 2.444 -0.137 1.00 0.00 C ATOM 1508 OE1 GLU A 135 14.338 1.301 0.263 1.00 0.00 O ATOM 1509 OE2 GLU A 135 15.833 2.825 -0.253 1.00 0.00 O ATOM 0 H GLU A 135 9.862 3.589 0.835 1.00 0.00 H new ATOM 0 HA GLU A 135 11.262 2.851 -1.554 1.00 0.00 H new ATOM 0 HB2 GLU A 135 11.942 4.189 0.687 1.00 0.00 H new ATOM 0 HB3 GLU A 135 12.489 2.594 1.163 1.00 0.00 H new ATOM 0 HG2 GLU A 135 13.313 3.308 -1.568 1.00 0.00 H new ATOM 0 HG3 GLU A 135 13.904 4.438 -0.366 1.00 0.00 H new ATOM 1516 N ALA A 136 10.421 0.558 0.626 1.00 0.00 N ATOM 1517 CA ALA A 136 10.371 -0.881 0.870 1.00 0.00 C ATOM 1518 C ALA A 136 9.436 -1.577 -0.116 1.00 0.00 C ATOM 1519 O ALA A 136 9.657 -2.731 -0.482 1.00 0.00 O ATOM 1520 CB ALA A 136 9.941 -1.161 2.300 1.00 0.00 C ATOM 0 H ALA A 136 9.844 1.113 1.258 1.00 0.00 H new ATOM 0 HA ALA A 136 11.373 -1.283 0.721 1.00 0.00 H new ATOM 0 HB1 ALA A 136 9.909 -2.238 2.466 1.00 0.00 H new ATOM 0 HB2 ALA A 136 10.654 -0.709 2.989 1.00 0.00 H new ATOM 0 HB3 ALA A 136 8.951 -0.737 2.472 1.00 0.00 H new ATOM 1526 N SER A 137 8.391 -0.867 -0.543 1.00 0.00 N ATOM 1527 CA SER A 137 7.422 -1.414 -1.491 1.00 0.00 C ATOM 1528 C SER A 137 7.903 -1.265 -2.937 1.00 0.00 C ATOM 1529 O SER A 137 7.444 -1.985 -3.827 1.00 0.00 O ATOM 1530 CB SER A 137 6.069 -0.714 -1.323 1.00 0.00 C ATOM 1531 OG SER A 137 6.094 0.594 -1.878 1.00 0.00 O ATOM 0 H SER A 137 8.195 0.089 -0.247 1.00 0.00 H new ATOM 0 HA SER A 137 7.314 -2.477 -1.278 1.00 0.00 H new ATOM 0 HB2 SER A 137 5.290 -1.302 -1.807 1.00 0.00 H new ATOM 0 HB3 SER A 137 5.815 -0.658 -0.265 1.00 0.00 H new ATOM 0 HG SER A 137 7.001 0.960 -1.812 1.00 0.00 H new ATOM 1537 N LYS A 138 8.820 -0.321 -3.169 1.00 0.00 N ATOM 1538 CA LYS A 138 9.352 -0.071 -4.510 1.00 0.00 C ATOM 1539 C LYS A 138 9.975 -1.329 -5.112 1.00 0.00 C ATOM 1540 O LYS A 138 9.718 -1.651 -6.270 1.00 0.00 O ATOM 1541 CB LYS A 138 10.386 1.060 -4.476 1.00 0.00 C ATOM 1542 CG LYS A 138 10.688 1.655 -5.843 1.00 0.00 C ATOM 1543 CD LYS A 138 9.571 2.575 -6.313 1.00 0.00 C ATOM 1544 CE LYS A 138 9.555 2.706 -7.828 1.00 0.00 C ATOM 1545 NZ LYS A 138 10.780 3.379 -8.346 1.00 0.00 N ATOM 0 H LYS A 138 9.209 0.282 -2.444 1.00 0.00 H new ATOM 0 HA LYS A 138 8.516 0.227 -5.142 1.00 0.00 H new ATOM 0 HB2 LYS A 138 10.025 1.850 -3.817 1.00 0.00 H new ATOM 0 HB3 LYS A 138 11.311 0.681 -4.042 1.00 0.00 H new ATOM 0 HG2 LYS A 138 11.624 2.211 -5.799 1.00 0.00 H new ATOM 0 HG3 LYS A 138 10.828 0.852 -6.567 1.00 0.00 H new ATOM 0 HD2 LYS A 138 8.611 2.188 -5.970 1.00 0.00 H new ATOM 0 HD3 LYS A 138 9.696 3.560 -5.863 1.00 0.00 H new ATOM 0 HE2 LYS A 138 9.469 1.716 -8.276 1.00 0.00 H new ATOM 0 HE3 LYS A 138 8.675 3.272 -8.133 1.00 0.00 H new ATOM 0 HZ1 LYS A 138 10.719 3.462 -9.381 1.00 0.00 H new ATOM 0 HZ2 LYS A 138 10.859 4.327 -7.926 1.00 0.00 H new ATOM 0 HZ3 LYS A 138 11.618 2.818 -8.093 1.00 0.00 H new ATOM 1559 N THR A 139 10.790 -2.032 -4.320 1.00 0.00 N ATOM 1560 CA THR A 139 11.451 -3.262 -4.777 1.00 0.00 C ATOM 1561 C THR A 139 10.461 -4.194 -5.462 1.00 0.00 C ATOM 1562 O THR A 139 9.692 -4.868 -4.792 1.00 0.00 O ATOM 1563 CB THR A 139 12.102 -4.001 -3.601 1.00 0.00 C ATOM 1564 OG1 THR A 139 11.366 -3.808 -2.402 1.00 0.00 O ATOM 1565 CG2 THR A 139 13.535 -3.584 -3.349 1.00 0.00 C ATOM 0 H THR A 139 11.009 -1.772 -3.358 1.00 0.00 H new ATOM 0 HA THR A 139 12.220 -2.970 -5.492 1.00 0.00 H new ATOM 0 HB THR A 139 12.097 -5.052 -3.888 1.00 0.00 H new ATOM 0 HG1 THR A 139 11.802 -4.291 -1.669 1.00 0.00 H new ATOM 0 HG21 THR A 139 13.934 -4.145 -2.504 1.00 0.00 H new ATOM 0 HG22 THR A 139 14.135 -3.788 -4.236 1.00 0.00 H new ATOM 0 HG23 THR A 139 13.570 -2.518 -3.125 1.00 0.00 H new