USER MOD reduce.3.24.130724 H: found=0, std=0, add=548, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 549 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 80 ASN : amide:sc= -1.44 K(o=-1.9,f=-4.3!) USER MOD Set 1.2: A 84 HIS : no HE2:sc= -0.938 K(o=-1.9,f=-6.2!) USER MOD Set 1.3: A 95 CYS SG : rot 175:sc= 0.461 USER MOD Single : A 79 THR OG1 : rot 180:sc= -0.178 USER MOD Single : A 81 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 88 SER OG : rot 27:sc= 0.407 USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 TYR OH : rot -73:sc= 0.537 USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 THR OG1 : rot 121:sc= 0.384 USER MOD Single : A 107 THR OG1 : rot 180:sc= -0.175 USER MOD Single : A 110 ASN : amide:sc= -3.73! K(o=-3.7!,f=-2) USER MOD Single : A 113 GLN : amide:sc= -3.07 K(o=-3.1,f=-1.1) USER MOD Single : A 119 ASN : amide:sc= 0 K(o=0,f=-0.59) USER MOD Single : A 120 THR OG1 : rot 79:sc= 0.0104 USER MOD Single : A 122 HIS : no HD1:sc= -0.715 K(o=-0.71,f=-2.1) USER MOD Single : A 123 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 124 SER OG : rot -107:sc= 1.28 USER MOD Single : A 132 SER OG : rot 180:sc= 0 USER MOD Single : A 134 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 136 GLN : amide:sc= -1.14 K(o=-1.1,f=-1.8) USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 68 -4.591 5.202 4.487 1.00 0.00 N ATOM 60 CA GLY A 68 -3.309 4.650 4.090 1.00 0.00 C ATOM 61 C GLY A 68 -3.434 3.262 3.496 1.00 0.00 C ATOM 62 O GLY A 68 -4.481 2.623 3.608 1.00 0.00 O ATOM 0 HA2 GLY A 68 -2.842 5.313 3.362 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -2.649 4.613 4.957 1.00 0.00 H new ATOM 66 N ILE A 69 -2.365 2.794 2.860 1.00 0.00 N ATOM 67 CA ILE A 69 -2.360 1.472 2.245 1.00 0.00 C ATOM 68 C ILE A 69 -1.083 0.712 2.585 1.00 0.00 C ATOM 69 O ILE A 69 -0.075 1.309 2.965 1.00 0.00 O ATOM 70 CB ILE A 69 -2.498 1.564 0.713 1.00 0.00 C ATOM 71 CG1 ILE A 69 -1.287 2.280 0.113 1.00 0.00 C ATOM 72 CG2 ILE A 69 -3.785 2.283 0.339 1.00 0.00 C ATOM 73 CD1 ILE A 69 -0.152 1.348 -0.251 1.00 0.00 C ATOM 0 H ILE A 69 -1.491 3.310 2.757 1.00 0.00 H new ATOM 0 HA ILE A 69 -3.218 0.933 2.647 1.00 0.00 H new ATOM 0 HB ILE A 69 -2.538 0.554 0.305 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -1.601 2.822 -0.779 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -0.924 3.021 0.825 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -3.868 2.340 -0.746 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -4.638 1.735 0.740 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -3.773 3.290 0.755 1.00 0.00 H new ATOM 0 HD11 ILE A 69 0.672 1.925 -0.670 1.00 0.00 H new ATOM 0 HD12 ILE A 69 0.189 0.824 0.642 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -0.499 0.623 -0.987 1.00 0.00 H new ATOM 85 N LEU A 70 -1.131 -0.608 2.443 1.00 0.00 N ATOM 86 CA LEU A 70 0.023 -1.451 2.733 1.00 0.00 C ATOM 87 C LEU A 70 0.193 -2.527 1.666 1.00 0.00 C ATOM 88 O LEU A 70 -0.733 -3.290 1.386 1.00 0.00 O ATOM 89 CB LEU A 70 -0.129 -2.101 4.110 1.00 0.00 C ATOM 90 CG LEU A 70 0.658 -3.393 4.332 1.00 0.00 C ATOM 91 CD1 LEU A 70 2.146 -3.155 4.123 1.00 0.00 C ATOM 92 CD2 LEU A 70 0.396 -3.945 5.726 1.00 0.00 C ATOM 0 H LEU A 70 -1.957 -1.117 2.129 1.00 0.00 H new ATOM 0 HA LEU A 70 0.912 -0.821 2.732 1.00 0.00 H new ATOM 0 HB2 LEU A 70 0.177 -1.378 4.867 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -1.186 -2.310 4.277 1.00 0.00 H new ATOM 0 HG LEU A 70 0.322 -4.129 3.602 1.00 0.00 H new ATOM 0 HD11 LEU A 70 2.690 -4.086 4.285 1.00 0.00 H new ATOM 0 HD12 LEU A 70 2.319 -2.806 3.105 1.00 0.00 H new ATOM 0 HD13 LEU A 70 2.497 -2.402 4.829 1.00 0.00 H new ATOM 0 HD21 LEU A 70 0.964 -4.864 5.866 1.00 0.00 H new ATOM 0 HD22 LEU A 70 0.703 -3.211 6.471 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -0.667 -4.155 5.840 1.00 0.00 H new ATOM 104 N ILE A 71 1.382 -2.585 1.075 1.00 0.00 N ATOM 105 CA ILE A 71 1.674 -3.570 0.041 1.00 0.00 C ATOM 106 C ILE A 71 2.744 -4.552 0.505 1.00 0.00 C ATOM 107 O ILE A 71 3.693 -4.174 1.191 1.00 0.00 O ATOM 108 CB ILE A 71 2.141 -2.896 -1.262 1.00 0.00 C ATOM 109 CG1 ILE A 71 0.988 -2.122 -1.904 1.00 0.00 C ATOM 110 CG2 ILE A 71 2.691 -3.935 -2.228 1.00 0.00 C ATOM 111 CD1 ILE A 71 1.436 -1.133 -2.957 1.00 0.00 C ATOM 0 H ILE A 71 2.159 -1.961 1.295 1.00 0.00 H new ATOM 0 HA ILE A 71 0.747 -4.111 -0.152 1.00 0.00 H new ATOM 0 HB ILE A 71 2.938 -2.192 -1.024 1.00 0.00 H new ATOM 0 HG12 ILE A 71 0.292 -2.830 -2.355 1.00 0.00 H new ATOM 0 HG13 ILE A 71 0.441 -1.589 -1.126 1.00 0.00 H new ATOM 0 HG21 ILE A 71 3.017 -3.443 -3.144 1.00 0.00 H new ATOM 0 HG22 ILE A 71 3.538 -4.446 -1.769 1.00 0.00 H new ATOM 0 HG23 ILE A 71 1.913 -4.661 -2.463 1.00 0.00 H new ATOM 0 HD11 ILE A 71 0.566 -0.621 -3.369 1.00 0.00 H new ATOM 0 HD12 ILE A 71 2.108 -0.402 -2.507 1.00 0.00 H new ATOM 0 HD13 ILE A 71 1.957 -1.662 -3.755 1.00 0.00 H new ATOM 123 N ARG A 72 2.585 -5.815 0.123 1.00 0.00 N ATOM 124 CA ARG A 72 3.538 -6.853 0.499 1.00 0.00 C ATOM 125 C ARG A 72 3.899 -7.720 -0.703 1.00 0.00 C ATOM 126 O ARG A 72 3.024 -8.177 -1.437 1.00 0.00 O ATOM 127 CB ARG A 72 2.961 -7.725 1.616 1.00 0.00 C ATOM 128 CG ARG A 72 2.880 -7.018 2.959 1.00 0.00 C ATOM 129 CD ARG A 72 2.445 -7.969 4.063 1.00 0.00 C ATOM 130 NE ARG A 72 2.996 -7.590 5.361 1.00 0.00 N ATOM 131 CZ ARG A 72 2.461 -7.954 6.522 1.00 0.00 C ATOM 132 NH1 ARG A 72 1.367 -8.702 6.545 1.00 0.00 N ATOM 133 NH2 ARG A 72 3.021 -7.569 7.661 1.00 0.00 N ATOM 0 H ARG A 72 1.805 -6.144 -0.446 1.00 0.00 H new ATOM 0 HA ARG A 72 4.444 -6.366 0.859 1.00 0.00 H new ATOM 0 HB2 ARG A 72 1.963 -8.056 1.328 1.00 0.00 H new ATOM 0 HB3 ARG A 72 3.575 -8.619 1.722 1.00 0.00 H new ATOM 0 HG2 ARG A 72 3.852 -6.592 3.206 1.00 0.00 H new ATOM 0 HG3 ARG A 72 2.176 -6.189 2.893 1.00 0.00 H new ATOM 0 HD2 ARG A 72 1.357 -7.983 4.121 1.00 0.00 H new ATOM 0 HD3 ARG A 72 2.764 -8.982 3.816 1.00 0.00 H new ATOM 0 HE ARG A 72 3.838 -7.014 5.378 1.00 0.00 H new ATOM 0 HH11 ARG A 72 0.934 -8.999 5.671 1.00 0.00 H new ATOM 0 HH12 ARG A 72 0.958 -8.980 7.437 1.00 0.00 H new ATOM 0 HH21 ARG A 72 3.863 -6.993 7.646 1.00 0.00 H new ATOM 0 HH22 ARG A 72 2.610 -7.849 8.552 1.00 0.00 H new ATOM 147 N GLY A 73 5.196 -7.943 -0.898 1.00 0.00 N ATOM 148 CA GLY A 73 5.650 -8.754 -2.012 1.00 0.00 C ATOM 149 C GLY A 73 5.966 -7.926 -3.241 1.00 0.00 C ATOM 150 O GLY A 73 5.259 -8.000 -4.247 1.00 0.00 O ATOM 0 H GLY A 73 5.940 -7.576 -0.304 1.00 0.00 H new ATOM 0 HA2 GLY A 73 6.539 -9.310 -1.714 1.00 0.00 H new ATOM 0 HA3 GLY A 73 4.883 -9.488 -2.259 1.00 0.00 H new ATOM 154 N LEU A 74 7.029 -7.134 -3.162 1.00 0.00 N ATOM 155 CA LEU A 74 7.437 -6.286 -4.277 1.00 0.00 C ATOM 156 C LEU A 74 8.627 -6.891 -5.014 1.00 0.00 C ATOM 157 O LEU A 74 9.440 -7.616 -4.441 1.00 0.00 O ATOM 158 CB LEU A 74 7.792 -4.886 -3.775 1.00 0.00 C ATOM 159 CG LEU A 74 6.674 -4.127 -3.058 1.00 0.00 C ATOM 160 CD1 LEU A 74 7.248 -2.980 -2.240 1.00 0.00 C ATOM 161 CD2 LEU A 74 5.653 -3.610 -4.060 1.00 0.00 C ATOM 0 H LEU A 74 7.625 -7.061 -2.337 1.00 0.00 H new ATOM 0 HA LEU A 74 6.601 -6.215 -4.972 1.00 0.00 H new ATOM 0 HB2 LEU A 74 8.641 -4.969 -3.096 1.00 0.00 H new ATOM 0 HB3 LEU A 74 8.122 -4.289 -4.626 1.00 0.00 H new ATOM 0 HG LEU A 74 6.171 -4.815 -2.379 1.00 0.00 H new ATOM 0 HD11 LEU A 74 6.439 -2.451 -1.737 1.00 0.00 H new ATOM 0 HD12 LEU A 74 7.941 -3.374 -1.497 1.00 0.00 H new ATOM 0 HD13 LEU A 74 7.776 -2.292 -2.899 1.00 0.00 H new ATOM 0 HD21 LEU A 74 4.865 -3.073 -3.532 1.00 0.00 H new ATOM 0 HD22 LEU A 74 6.143 -2.937 -4.764 1.00 0.00 H new ATOM 0 HD23 LEU A 74 5.219 -4.449 -4.603 1.00 0.00 H new ATOM 173 N PRO A 75 8.735 -6.586 -6.316 1.00 0.00 N ATOM 174 CA PRO A 75 9.824 -7.087 -7.159 1.00 0.00 C ATOM 175 C PRO A 75 11.169 -6.463 -6.801 1.00 0.00 C ATOM 176 O PRO A 75 11.248 -5.586 -5.942 1.00 0.00 O ATOM 177 CB PRO A 75 9.401 -6.671 -8.570 1.00 0.00 C ATOM 178 CG PRO A 75 8.515 -5.491 -8.367 1.00 0.00 C ATOM 179 CD PRO A 75 7.802 -5.727 -7.064 1.00 0.00 C ATOM 0 HA PRO A 75 9.969 -8.161 -7.042 1.00 0.00 H new ATOM 0 HB2 PRO A 75 10.265 -6.416 -9.184 1.00 0.00 H new ATOM 0 HB3 PRO A 75 8.875 -7.478 -9.080 1.00 0.00 H new ATOM 0 HG2 PRO A 75 9.095 -4.569 -8.333 1.00 0.00 H new ATOM 0 HG3 PRO A 75 7.805 -5.391 -9.188 1.00 0.00 H new ATOM 0 HD2 PRO A 75 7.606 -4.793 -6.538 1.00 0.00 H new ATOM 0 HD3 PRO A 75 6.839 -6.215 -7.215 1.00 0.00 H new ATOM 187 N GLY A 76 12.225 -6.921 -7.466 1.00 0.00 N ATOM 188 CA GLY A 76 13.552 -6.396 -7.203 1.00 0.00 C ATOM 189 C GLY A 76 13.788 -5.056 -7.872 1.00 0.00 C ATOM 190 O GLY A 76 14.710 -4.327 -7.508 1.00 0.00 O ATOM 0 H GLY A 76 12.185 -7.646 -8.182 1.00 0.00 H new ATOM 0 HA2 GLY A 76 13.691 -6.291 -6.127 1.00 0.00 H new ATOM 0 HA3 GLY A 76 14.298 -7.110 -7.553 1.00 0.00 H new ATOM 194 N ASP A 77 12.955 -4.733 -8.855 1.00 0.00 N ATOM 195 CA ASP A 77 13.078 -3.472 -9.577 1.00 0.00 C ATOM 196 C ASP A 77 12.028 -2.471 -9.106 1.00 0.00 C ATOM 197 O ASP A 77 11.853 -1.410 -9.705 1.00 0.00 O ATOM 198 CB ASP A 77 12.937 -3.706 -11.082 1.00 0.00 C ATOM 199 CG ASP A 77 13.222 -2.457 -11.892 1.00 0.00 C ATOM 200 OD1 ASP A 77 14.312 -1.873 -11.717 1.00 0.00 O ATOM 201 OD2 ASP A 77 12.356 -2.062 -12.700 1.00 0.00 O ATOM 0 H ASP A 77 12.188 -5.327 -9.170 1.00 0.00 H new ATOM 0 HA ASP A 77 14.066 -3.059 -9.371 1.00 0.00 H new ATOM 0 HB2 ASP A 77 13.620 -4.498 -11.389 1.00 0.00 H new ATOM 0 HB3 ASP A 77 11.927 -4.054 -11.299 1.00 0.00 H new ATOM 206 N VAL A 78 11.330 -2.816 -8.029 1.00 0.00 N ATOM 207 CA VAL A 78 10.296 -1.949 -7.476 1.00 0.00 C ATOM 208 C VAL A 78 10.874 -0.597 -7.069 1.00 0.00 C ATOM 209 O VAL A 78 11.611 -0.494 -6.088 1.00 0.00 O ATOM 210 CB VAL A 78 9.617 -2.593 -6.253 1.00 0.00 C ATOM 211 CG1 VAL A 78 10.631 -2.842 -5.148 1.00 0.00 C ATOM 212 CG2 VAL A 78 8.476 -1.718 -5.755 1.00 0.00 C ATOM 0 H VAL A 78 11.462 -3.691 -7.521 1.00 0.00 H new ATOM 0 HA VAL A 78 9.552 -1.804 -8.260 1.00 0.00 H new ATOM 0 HB VAL A 78 9.202 -3.555 -6.554 1.00 0.00 H new ATOM 0 HG11 VAL A 78 10.132 -3.297 -4.292 1.00 0.00 H new ATOM 0 HG12 VAL A 78 11.410 -3.512 -5.513 1.00 0.00 H new ATOM 0 HG13 VAL A 78 11.079 -1.896 -4.845 1.00 0.00 H new ATOM 0 HG21 VAL A 78 8.007 -2.188 -4.890 1.00 0.00 H new ATOM 0 HG22 VAL A 78 8.865 -0.740 -5.470 1.00 0.00 H new ATOM 0 HG23 VAL A 78 7.737 -1.598 -6.547 1.00 0.00 H new ATOM 222 N THR A 79 10.534 0.439 -7.830 1.00 0.00 N ATOM 223 CA THR A 79 11.018 1.784 -7.550 1.00 0.00 C ATOM 224 C THR A 79 9.861 2.742 -7.289 1.00 0.00 C ATOM 225 O THR A 79 8.702 2.409 -7.529 1.00 0.00 O ATOM 226 CB THR A 79 11.868 2.329 -8.714 1.00 0.00 C ATOM 227 OG1 THR A 79 12.458 3.581 -8.345 1.00 0.00 O ATOM 228 CG2 THR A 79 11.021 2.510 -9.964 1.00 0.00 C ATOM 0 H THR A 79 9.925 0.371 -8.645 1.00 0.00 H new ATOM 0 HA THR A 79 11.639 1.717 -6.657 1.00 0.00 H new ATOM 0 HB THR A 79 12.655 1.607 -8.930 1.00 0.00 H new ATOM 0 HG1 THR A 79 12.998 3.920 -9.089 1.00 0.00 H new ATOM 0 HG21 THR A 79 11.643 2.896 -10.772 1.00 0.00 H new ATOM 0 HG22 THR A 79 10.597 1.550 -10.259 1.00 0.00 H new ATOM 0 HG23 THR A 79 10.215 3.214 -9.759 1.00 0.00 H new ATOM 236 N ASN A 80 10.185 3.933 -6.797 1.00 0.00 N ATOM 237 CA ASN A 80 9.171 4.940 -6.504 1.00 0.00 C ATOM 238 C ASN A 80 8.300 5.207 -7.727 1.00 0.00 C ATOM 239 O ASN A 80 7.107 5.483 -7.603 1.00 0.00 O ATOM 240 CB ASN A 80 9.833 6.240 -6.042 1.00 0.00 C ATOM 241 CG ASN A 80 8.912 7.083 -5.180 1.00 0.00 C ATOM 242 OD1 ASN A 80 7.916 6.590 -4.651 1.00 0.00 O ATOM 243 ND2 ASN A 80 9.243 8.361 -5.035 1.00 0.00 N ATOM 0 H ASN A 80 11.141 4.225 -6.593 1.00 0.00 H new ATOM 0 HA ASN A 80 8.536 4.559 -5.704 1.00 0.00 H new ATOM 0 HB2 ASN A 80 10.737 6.005 -5.481 1.00 0.00 H new ATOM 0 HB3 ASN A 80 10.140 6.818 -6.914 1.00 0.00 H new ATOM 0 HD21 ASN A 80 8.662 8.977 -4.466 1.00 0.00 H new ATOM 0 HD22 ASN A 80 10.078 8.727 -5.492 1.00 0.00 H new ATOM 250 N GLN A 81 8.904 5.120 -8.908 1.00 0.00 N ATOM 251 CA GLN A 81 8.182 5.352 -10.154 1.00 0.00 C ATOM 252 C GLN A 81 7.017 4.379 -10.297 1.00 0.00 C ATOM 253 O GLN A 81 5.942 4.749 -10.767 1.00 0.00 O ATOM 254 CB GLN A 81 9.127 5.214 -11.348 1.00 0.00 C ATOM 255 CG GLN A 81 8.560 5.777 -12.641 1.00 0.00 C ATOM 256 CD GLN A 81 8.677 7.287 -12.722 1.00 0.00 C ATOM 257 OE1 GLN A 81 9.737 7.822 -13.047 1.00 0.00 O ATOM 258 NE2 GLN A 81 7.586 7.982 -12.424 1.00 0.00 N ATOM 0 H GLN A 81 9.891 4.891 -9.028 1.00 0.00 H new ATOM 0 HA GLN A 81 7.783 6.366 -10.131 1.00 0.00 H new ATOM 0 HB2 GLN A 81 10.064 5.723 -11.120 1.00 0.00 H new ATOM 0 HB3 GLN A 81 9.364 4.160 -11.493 1.00 0.00 H new ATOM 0 HG2 GLN A 81 9.082 5.330 -13.487 1.00 0.00 H new ATOM 0 HG3 GLN A 81 7.511 5.493 -12.727 1.00 0.00 H new ATOM 0 HE21 GLN A 81 6.729 7.497 -12.160 1.00 0.00 H new ATOM 0 HE22 GLN A 81 7.605 9.001 -12.459 1.00 0.00 H new ATOM 267 N GLU A 82 7.238 3.133 -9.889 1.00 0.00 N ATOM 268 CA GLU A 82 6.206 2.107 -9.973 1.00 0.00 C ATOM 269 C GLU A 82 5.019 2.454 -9.079 1.00 0.00 C ATOM 270 O GLU A 82 3.864 2.337 -9.487 1.00 0.00 O ATOM 271 CB GLU A 82 6.777 0.744 -9.576 1.00 0.00 C ATOM 272 CG GLU A 82 5.974 -0.431 -10.109 1.00 0.00 C ATOM 273 CD GLU A 82 5.589 -0.261 -11.566 1.00 0.00 C ATOM 274 OE1 GLU A 82 4.512 0.314 -11.831 1.00 0.00 O ATOM 275 OE2 GLU A 82 6.363 -0.702 -12.441 1.00 0.00 O ATOM 0 H GLU A 82 8.123 2.810 -9.497 1.00 0.00 H new ATOM 0 HA GLU A 82 5.859 2.061 -11.005 1.00 0.00 H new ATOM 0 HB2 GLU A 82 7.801 0.668 -9.941 1.00 0.00 H new ATOM 0 HB3 GLU A 82 6.820 0.680 -8.489 1.00 0.00 H new ATOM 0 HG2 GLU A 82 6.556 -1.346 -9.995 1.00 0.00 H new ATOM 0 HG3 GLU A 82 5.071 -0.551 -9.510 1.00 0.00 H new ATOM 282 N VAL A 83 5.314 2.881 -7.855 1.00 0.00 N ATOM 283 CA VAL A 83 4.272 3.246 -6.901 1.00 0.00 C ATOM 284 C VAL A 83 3.571 4.534 -7.319 1.00 0.00 C ATOM 285 O VAL A 83 2.355 4.665 -7.178 1.00 0.00 O ATOM 286 CB VAL A 83 4.847 3.424 -5.484 1.00 0.00 C ATOM 287 CG1 VAL A 83 3.757 3.859 -4.516 1.00 0.00 C ATOM 288 CG2 VAL A 83 5.508 2.138 -5.011 1.00 0.00 C ATOM 0 H VAL A 83 6.265 2.983 -7.501 1.00 0.00 H new ATOM 0 HA VAL A 83 3.550 2.429 -6.892 1.00 0.00 H new ATOM 0 HB VAL A 83 5.606 4.206 -5.515 1.00 0.00 H new ATOM 0 HG11 VAL A 83 4.182 3.980 -3.520 1.00 0.00 H new ATOM 0 HG12 VAL A 83 3.334 4.807 -4.847 1.00 0.00 H new ATOM 0 HG13 VAL A 83 2.973 3.102 -4.487 1.00 0.00 H new ATOM 0 HG21 VAL A 83 5.909 2.283 -4.008 1.00 0.00 H new ATOM 0 HG22 VAL A 83 4.771 1.335 -4.995 1.00 0.00 H new ATOM 0 HG23 VAL A 83 6.318 1.874 -5.691 1.00 0.00 H new ATOM 298 N HIS A 84 4.346 5.482 -7.836 1.00 0.00 N ATOM 299 CA HIS A 84 3.799 6.760 -8.276 1.00 0.00 C ATOM 300 C HIS A 84 2.868 6.571 -9.470 1.00 0.00 C ATOM 301 O HIS A 84 1.765 7.117 -9.502 1.00 0.00 O ATOM 302 CB HIS A 84 4.929 7.723 -8.644 1.00 0.00 C ATOM 303 CG HIS A 84 5.400 8.560 -7.494 1.00 0.00 C ATOM 304 ND1 HIS A 84 4.750 9.703 -7.079 1.00 0.00 N ATOM 305 CD2 HIS A 84 6.464 8.413 -6.670 1.00 0.00 C ATOM 306 CE1 HIS A 84 5.395 10.224 -6.051 1.00 0.00 C ATOM 307 NE2 HIS A 84 6.438 9.460 -5.782 1.00 0.00 N ATOM 0 H HIS A 84 5.354 5.389 -7.960 1.00 0.00 H new ATOM 0 HA HIS A 84 3.224 7.183 -7.452 1.00 0.00 H new ATOM 0 HB2 HIS A 84 5.770 7.151 -9.035 1.00 0.00 H new ATOM 0 HB3 HIS A 84 4.590 8.379 -9.446 1.00 0.00 H new ATOM 0 HD1 HIS A 84 3.904 10.086 -7.500 1.00 0.00 H new ATOM 0 HD2 HIS A 84 7.197 7.620 -6.705 1.00 0.00 H new ATOM 0 HE1 HIS A 84 5.117 11.123 -5.520 1.00 0.00 H new ATOM 316 N ASP A 85 3.320 5.794 -10.449 1.00 0.00 N ATOM 317 CA ASP A 85 2.527 5.533 -11.644 1.00 0.00 C ATOM 318 C ASP A 85 1.258 4.760 -11.297 1.00 0.00 C ATOM 319 O ASP A 85 0.190 5.015 -11.856 1.00 0.00 O ATOM 320 CB ASP A 85 3.351 4.750 -12.667 1.00 0.00 C ATOM 321 CG ASP A 85 2.837 4.927 -14.082 1.00 0.00 C ATOM 322 OD1 ASP A 85 2.540 6.078 -14.466 1.00 0.00 O ATOM 323 OD2 ASP A 85 2.734 3.915 -14.807 1.00 0.00 O ATOM 0 H ASP A 85 4.231 5.335 -10.438 1.00 0.00 H new ATOM 0 HA ASP A 85 2.240 6.492 -12.076 1.00 0.00 H new ATOM 0 HB2 ASP A 85 4.390 5.075 -12.618 1.00 0.00 H new ATOM 0 HB3 ASP A 85 3.336 3.691 -12.408 1.00 0.00 H new ATOM 328 N LEU A 86 1.382 3.815 -10.372 1.00 0.00 N ATOM 329 CA LEU A 86 0.245 3.004 -9.949 1.00 0.00 C ATOM 330 C LEU A 86 -0.872 3.880 -9.391 1.00 0.00 C ATOM 331 O LEU A 86 -2.053 3.623 -9.627 1.00 0.00 O ATOM 332 CB LEU A 86 0.684 1.984 -8.897 1.00 0.00 C ATOM 333 CG LEU A 86 -0.428 1.132 -8.283 1.00 0.00 C ATOM 334 CD1 LEU A 86 -1.106 0.290 -9.353 1.00 0.00 C ATOM 335 CD2 LEU A 86 0.127 0.247 -7.177 1.00 0.00 C ATOM 0 H LEU A 86 2.258 3.591 -9.900 1.00 0.00 H new ATOM 0 HA LEU A 86 -0.137 2.474 -10.822 1.00 0.00 H new ATOM 0 HB2 LEU A 86 1.417 1.317 -9.350 1.00 0.00 H new ATOM 0 HB3 LEU A 86 1.192 2.517 -8.093 1.00 0.00 H new ATOM 0 HG LEU A 86 -1.173 1.798 -7.847 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -1.894 -0.310 -8.899 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -1.538 0.944 -10.111 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -0.372 -0.368 -9.818 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -0.678 -0.352 -6.752 1.00 0.00 H new ATOM 0 HD22 LEU A 86 0.892 -0.412 -7.588 1.00 0.00 H new ATOM 0 HD23 LEU A 86 0.566 0.870 -6.398 1.00 0.00 H new ATOM 347 N LEU A 87 -0.491 4.916 -8.653 1.00 0.00 N ATOM 348 CA LEU A 87 -1.460 5.833 -8.063 1.00 0.00 C ATOM 349 C LEU A 87 -1.337 7.224 -8.676 1.00 0.00 C ATOM 350 O LEU A 87 -1.535 8.232 -7.997 1.00 0.00 O ATOM 351 CB LEU A 87 -1.261 5.911 -6.548 1.00 0.00 C ATOM 352 CG LEU A 87 -1.884 4.779 -5.730 1.00 0.00 C ATOM 353 CD1 LEU A 87 -1.243 4.701 -4.353 1.00 0.00 C ATOM 354 CD2 LEU A 87 -3.388 4.973 -5.610 1.00 0.00 C ATOM 0 H LEU A 87 0.482 5.142 -8.449 1.00 0.00 H new ATOM 0 HA LEU A 87 -2.459 5.451 -8.273 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -0.191 5.934 -6.343 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -1.673 6.856 -6.196 1.00 0.00 H new ATOM 0 HG LEU A 87 -1.700 3.838 -6.248 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -1.699 3.890 -3.785 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -0.174 4.514 -4.459 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -1.396 5.643 -3.827 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -3.814 4.158 -5.025 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -3.594 5.922 -5.115 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -3.835 4.978 -6.604 1.00 0.00 H new ATOM 366 N SER A 88 -1.011 7.271 -9.963 1.00 0.00 N ATOM 367 CA SER A 88 -0.860 8.539 -10.668 1.00 0.00 C ATOM 368 C SER A 88 -2.219 9.096 -11.081 1.00 0.00 C ATOM 369 O SER A 88 -2.303 10.039 -11.868 1.00 0.00 O ATOM 370 CB SER A 88 0.026 8.358 -11.902 1.00 0.00 C ATOM 371 OG SER A 88 1.393 8.549 -11.581 1.00 0.00 O ATOM 0 H SER A 88 -0.846 6.446 -10.539 1.00 0.00 H new ATOM 0 HA SER A 88 -0.386 9.249 -9.990 1.00 0.00 H new ATOM 0 HB2 SER A 88 -0.118 7.359 -12.313 1.00 0.00 H new ATOM 0 HB3 SER A 88 -0.272 9.067 -12.675 1.00 0.00 H new ATOM 0 HG SER A 88 1.540 8.338 -10.635 1.00 0.00 H new ATOM 377 N ASP A 89 -3.281 8.506 -10.543 1.00 0.00 N ATOM 378 CA ASP A 89 -4.637 8.943 -10.854 1.00 0.00 C ATOM 379 C ASP A 89 -5.264 9.658 -9.661 1.00 0.00 C ATOM 380 O ASP A 89 -6.213 10.428 -9.815 1.00 0.00 O ATOM 381 CB ASP A 89 -5.501 7.747 -11.259 1.00 0.00 C ATOM 382 CG ASP A 89 -5.276 7.332 -12.700 1.00 0.00 C ATOM 383 OD1 ASP A 89 -5.749 8.050 -13.605 1.00 0.00 O ATOM 384 OD2 ASP A 89 -4.626 6.289 -12.923 1.00 0.00 O ATOM 0 H ASP A 89 -3.229 7.724 -9.890 1.00 0.00 H new ATOM 0 HA ASP A 89 -4.585 9.643 -11.688 1.00 0.00 H new ATOM 0 HB2 ASP A 89 -5.281 6.905 -10.603 1.00 0.00 H new ATOM 0 HB3 ASP A 89 -6.552 7.997 -11.116 1.00 0.00 H new ATOM 389 N TYR A 90 -4.729 9.397 -8.474 1.00 0.00 N ATOM 390 CA TYR A 90 -5.239 10.013 -7.254 1.00 0.00 C ATOM 391 C TYR A 90 -4.231 11.005 -6.683 1.00 0.00 C ATOM 392 O TYR A 90 -3.089 11.078 -7.137 1.00 0.00 O ATOM 393 CB TYR A 90 -5.562 8.940 -6.213 1.00 0.00 C ATOM 394 CG TYR A 90 -6.353 7.777 -6.767 1.00 0.00 C ATOM 395 CD1 TYR A 90 -5.721 6.743 -7.446 1.00 0.00 C ATOM 396 CD2 TYR A 90 -7.732 7.712 -6.610 1.00 0.00 C ATOM 397 CE1 TYR A 90 -6.441 5.678 -7.955 1.00 0.00 C ATOM 398 CE2 TYR A 90 -8.459 6.651 -7.114 1.00 0.00 C ATOM 399 CZ TYR A 90 -7.809 5.637 -7.786 1.00 0.00 C ATOM 400 OH TYR A 90 -8.529 4.578 -8.290 1.00 0.00 O ATOM 0 H TYR A 90 -3.943 8.763 -8.330 1.00 0.00 H new ATOM 0 HA TYR A 90 -6.152 10.554 -7.504 1.00 0.00 H new ATOM 0 HB2 TYR A 90 -4.630 8.566 -5.789 1.00 0.00 H new ATOM 0 HB3 TYR A 90 -6.124 9.395 -5.397 1.00 0.00 H new ATOM 0 HD1 TYR A 90 -4.650 6.771 -7.579 1.00 0.00 H new ATOM 0 HD2 TYR A 90 -8.244 8.505 -6.085 1.00 0.00 H new ATOM 0 HE1 TYR A 90 -5.935 4.883 -8.482 1.00 0.00 H new ATOM 0 HE2 TYR A 90 -9.530 6.616 -6.983 1.00 0.00 H new ATOM 0 HH TYR A 90 -9.479 4.701 -8.085 1.00 0.00 H new ATOM 410 N GLU A 91 -4.662 11.767 -5.682 1.00 0.00 N ATOM 411 CA GLU A 91 -3.797 12.756 -5.048 1.00 0.00 C ATOM 412 C GLU A 91 -2.816 12.086 -4.091 1.00 0.00 C ATOM 413 O GLU A 91 -3.197 11.628 -3.013 1.00 0.00 O ATOM 414 CB GLU A 91 -4.635 13.791 -4.295 1.00 0.00 C ATOM 415 CG GLU A 91 -5.124 14.933 -5.171 1.00 0.00 C ATOM 416 CD GLU A 91 -5.297 16.226 -4.399 1.00 0.00 C ATOM 417 OE1 GLU A 91 -4.274 16.817 -3.994 1.00 0.00 O ATOM 418 OE2 GLU A 91 -6.456 16.648 -4.201 1.00 0.00 O ATOM 0 H GLU A 91 -5.604 11.719 -5.293 1.00 0.00 H new ATOM 0 HA GLU A 91 -3.229 13.259 -5.830 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -5.495 13.293 -3.848 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -4.042 14.200 -3.477 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -4.416 15.091 -5.984 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -6.075 14.656 -5.626 1.00 0.00 H new ATOM 425 N LEU A 92 -1.551 12.032 -4.493 1.00 0.00 N ATOM 426 CA LEU A 92 -0.513 11.417 -3.672 1.00 0.00 C ATOM 427 C LEU A 92 0.034 12.411 -2.652 1.00 0.00 C ATOM 428 O LEU A 92 0.956 13.174 -2.945 1.00 0.00 O ATOM 429 CB LEU A 92 0.623 10.898 -4.555 1.00 0.00 C ATOM 430 CG LEU A 92 0.355 9.583 -5.288 1.00 0.00 C ATOM 431 CD1 LEU A 92 1.425 9.330 -6.338 1.00 0.00 C ATOM 432 CD2 LEU A 92 0.290 8.426 -4.301 1.00 0.00 C ATOM 0 H LEU A 92 -1.219 12.406 -5.382 1.00 0.00 H new ATOM 0 HA LEU A 92 -0.958 10.580 -3.134 1.00 0.00 H new ATOM 0 HB2 LEU A 92 0.859 11.662 -5.296 1.00 0.00 H new ATOM 0 HB3 LEU A 92 1.510 10.771 -3.934 1.00 0.00 H new ATOM 0 HG LEU A 92 -0.609 9.660 -5.792 1.00 0.00 H new ATOM 0 HD11 LEU A 92 1.218 8.390 -6.849 1.00 0.00 H new ATOM 0 HD12 LEU A 92 1.424 10.145 -7.062 1.00 0.00 H new ATOM 0 HD13 LEU A 92 2.401 9.274 -5.856 1.00 0.00 H new ATOM 0 HD21 LEU A 92 0.099 7.498 -4.840 1.00 0.00 H new ATOM 0 HD22 LEU A 92 1.238 8.348 -3.769 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -0.513 8.602 -3.586 1.00 0.00 H new ATOM 444 N LYS A 93 -0.537 12.396 -1.453 1.00 0.00 N ATOM 445 CA LYS A 93 -0.106 13.293 -0.387 1.00 0.00 C ATOM 446 C LYS A 93 1.284 12.913 0.113 1.00 0.00 C ATOM 447 O LYS A 93 2.124 13.780 0.359 1.00 0.00 O ATOM 448 CB LYS A 93 -1.104 13.258 0.772 1.00 0.00 C ATOM 449 CG LYS A 93 -2.433 13.919 0.450 1.00 0.00 C ATOM 450 CD LYS A 93 -2.238 15.296 -0.161 1.00 0.00 C ATOM 451 CE LYS A 93 -2.137 15.224 -1.677 1.00 0.00 C ATOM 452 NZ LYS A 93 -1.283 16.312 -2.229 1.00 0.00 N ATOM 0 H LYS A 93 -1.301 11.771 -1.194 1.00 0.00 H new ATOM 0 HA LYS A 93 -0.064 14.304 -0.791 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -1.283 12.221 1.055 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -0.662 13.753 1.637 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -2.995 13.290 -0.240 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -3.028 14.005 1.360 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -3.071 15.941 0.119 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -1.334 15.750 0.244 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -1.726 14.257 -1.968 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -3.135 15.290 -2.111 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -1.240 16.228 -3.265 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -1.688 17.235 -1.973 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -0.324 16.234 -1.835 1.00 0.00 H new ATOM 466 N TYR A 94 1.521 11.615 0.261 1.00 0.00 N ATOM 467 CA TYR A 94 2.809 11.121 0.733 1.00 0.00 C ATOM 468 C TYR A 94 3.184 9.819 0.032 1.00 0.00 C ATOM 469 O TYR A 94 2.368 8.903 -0.079 1.00 0.00 O ATOM 470 CB TYR A 94 2.773 10.906 2.247 1.00 0.00 C ATOM 471 CG TYR A 94 3.967 10.147 2.779 1.00 0.00 C ATOM 472 CD1 TYR A 94 5.261 10.592 2.540 1.00 0.00 C ATOM 473 CD2 TYR A 94 3.801 8.984 3.521 1.00 0.00 C ATOM 474 CE1 TYR A 94 6.356 9.902 3.023 1.00 0.00 C ATOM 475 CE2 TYR A 94 4.890 8.288 4.010 1.00 0.00 C ATOM 476 CZ TYR A 94 6.165 8.750 3.759 1.00 0.00 C ATOM 477 OH TYR A 94 7.251 8.059 4.243 1.00 0.00 O ATOM 0 H TYR A 94 0.837 10.885 0.061 1.00 0.00 H new ATOM 0 HA TYR A 94 3.565 11.870 0.497 1.00 0.00 H new ATOM 0 HB2 TYR A 94 2.719 11.876 2.742 1.00 0.00 H new ATOM 0 HB3 TYR A 94 1.863 10.365 2.507 1.00 0.00 H new ATOM 0 HD1 TYR A 94 5.414 11.494 1.966 1.00 0.00 H new ATOM 0 HD2 TYR A 94 2.804 8.618 3.719 1.00 0.00 H new ATOM 0 HE1 TYR A 94 7.355 10.262 2.826 1.00 0.00 H new ATOM 0 HE2 TYR A 94 4.743 7.386 4.586 1.00 0.00 H new ATOM 0 HH TYR A 94 7.698 7.594 3.505 1.00 0.00 H new ATOM 487 N CYS A 95 4.423 9.744 -0.439 1.00 0.00 N ATOM 488 CA CYS A 95 4.908 8.555 -1.130 1.00 0.00 C ATOM 489 C CYS A 95 6.089 7.938 -0.387 1.00 0.00 C ATOM 490 O CYS A 95 7.046 8.629 -0.039 1.00 0.00 O ATOM 491 CB CYS A 95 5.317 8.902 -2.563 1.00 0.00 C ATOM 492 SG CYS A 95 6.723 10.033 -2.676 1.00 0.00 S ATOM 0 H CYS A 95 5.111 10.493 -0.355 1.00 0.00 H new ATOM 0 HA CYS A 95 4.098 7.826 -1.158 1.00 0.00 H new ATOM 0 HB2 CYS A 95 5.562 7.981 -3.093 1.00 0.00 H new ATOM 0 HB3 CYS A 95 4.464 9.347 -3.075 1.00 0.00 H new ATOM 0 HG CYS A 95 7.068 10.174 -3.922 1.00 0.00 H new ATOM 498 N PHE A 96 6.014 6.633 -0.147 1.00 0.00 N ATOM 499 CA PHE A 96 7.075 5.923 0.557 1.00 0.00 C ATOM 500 C PHE A 96 7.297 4.539 -0.046 1.00 0.00 C ATOM 501 O PHE A 96 6.345 3.805 -0.312 1.00 0.00 O ATOM 502 CB PHE A 96 6.733 5.795 2.043 1.00 0.00 C ATOM 503 CG PHE A 96 7.876 5.295 2.880 1.00 0.00 C ATOM 504 CD1 PHE A 96 9.086 5.970 2.897 1.00 0.00 C ATOM 505 CD2 PHE A 96 7.740 4.152 3.650 1.00 0.00 C ATOM 506 CE1 PHE A 96 10.139 5.512 3.666 1.00 0.00 C ATOM 507 CE2 PHE A 96 8.790 3.689 4.421 1.00 0.00 C ATOM 508 CZ PHE A 96 9.991 4.371 4.430 1.00 0.00 C ATOM 0 H PHE A 96 5.229 6.046 -0.430 1.00 0.00 H new ATOM 0 HA PHE A 96 7.995 6.498 0.451 1.00 0.00 H new ATOM 0 HB2 PHE A 96 6.415 6.767 2.420 1.00 0.00 H new ATOM 0 HB3 PHE A 96 5.887 5.117 2.156 1.00 0.00 H new ATOM 0 HD1 PHE A 96 9.208 6.864 2.303 1.00 0.00 H new ATOM 0 HD2 PHE A 96 6.802 3.616 3.648 1.00 0.00 H new ATOM 0 HE1 PHE A 96 11.078 6.046 3.670 1.00 0.00 H new ATOM 0 HE2 PHE A 96 8.671 2.795 5.015 1.00 0.00 H new ATOM 0 HZ PHE A 96 10.812 4.013 5.033 1.00 0.00 H new ATOM 518 N VAL A 97 8.561 4.189 -0.261 1.00 0.00 N ATOM 519 CA VAL A 97 8.910 2.894 -0.832 1.00 0.00 C ATOM 520 C VAL A 97 10.069 2.254 -0.077 1.00 0.00 C ATOM 521 O VAL A 97 11.170 2.802 -0.030 1.00 0.00 O ATOM 522 CB VAL A 97 9.287 3.020 -2.320 1.00 0.00 C ATOM 523 CG1 VAL A 97 9.864 1.711 -2.838 1.00 0.00 C ATOM 524 CG2 VAL A 97 8.079 3.442 -3.142 1.00 0.00 C ATOM 0 H VAL A 97 9.361 4.785 -0.048 1.00 0.00 H new ATOM 0 HA VAL A 97 8.028 2.260 -0.741 1.00 0.00 H new ATOM 0 HB VAL A 97 10.052 3.790 -2.419 1.00 0.00 H new ATOM 0 HG11 VAL A 97 10.124 1.820 -3.891 1.00 0.00 H new ATOM 0 HG12 VAL A 97 10.757 1.456 -2.268 1.00 0.00 H new ATOM 0 HG13 VAL A 97 9.124 0.918 -2.727 1.00 0.00 H new ATOM 0 HG21 VAL A 97 8.364 3.526 -4.191 1.00 0.00 H new ATOM 0 HG22 VAL A 97 7.290 2.697 -3.039 1.00 0.00 H new ATOM 0 HG23 VAL A 97 7.716 4.406 -2.786 1.00 0.00 H new ATOM 534 N ASP A 98 9.814 1.091 0.512 1.00 0.00 N ATOM 535 CA ASP A 98 10.838 0.374 1.264 1.00 0.00 C ATOM 536 C ASP A 98 11.167 -0.959 0.600 1.00 0.00 C ATOM 537 O ASP A 98 10.413 -1.925 0.714 1.00 0.00 O ATOM 538 CB ASP A 98 10.374 0.141 2.703 1.00 0.00 C ATOM 539 CG ASP A 98 11.406 -0.599 3.531 1.00 0.00 C ATOM 540 OD1 ASP A 98 11.954 -1.605 3.035 1.00 0.00 O ATOM 541 OD2 ASP A 98 11.665 -0.172 4.676 1.00 0.00 O ATOM 0 H ASP A 98 8.907 0.624 0.483 1.00 0.00 H new ATOM 0 HA ASP A 98 11.740 0.985 1.276 1.00 0.00 H new ATOM 0 HB2 ASP A 98 10.157 1.101 3.172 1.00 0.00 H new ATOM 0 HB3 ASP A 98 9.444 -0.427 2.694 1.00 0.00 H new ATOM 546 N LYS A 99 12.298 -1.004 -0.097 1.00 0.00 N ATOM 547 CA LYS A 99 12.728 -2.217 -0.780 1.00 0.00 C ATOM 548 C LYS A 99 13.236 -3.253 0.218 1.00 0.00 C ATOM 549 O LYS A 99 12.899 -4.434 0.128 1.00 0.00 O ATOM 550 CB LYS A 99 13.825 -1.893 -1.797 1.00 0.00 C ATOM 551 CG LYS A 99 15.113 -1.395 -1.165 1.00 0.00 C ATOM 552 CD LYS A 99 16.197 -1.176 -2.206 1.00 0.00 C ATOM 553 CE LYS A 99 16.128 0.223 -2.798 1.00 0.00 C ATOM 554 NZ LYS A 99 16.772 0.291 -4.139 1.00 0.00 N ATOM 0 H LYS A 99 12.933 -0.213 -0.203 1.00 0.00 H new ATOM 0 HA LYS A 99 11.867 -2.634 -1.303 1.00 0.00 H new ATOM 0 HB2 LYS A 99 14.040 -2.786 -2.384 1.00 0.00 H new ATOM 0 HB3 LYS A 99 13.455 -1.138 -2.490 1.00 0.00 H new ATOM 0 HG2 LYS A 99 14.922 -0.462 -0.635 1.00 0.00 H new ATOM 0 HG3 LYS A 99 15.459 -2.117 -0.425 1.00 0.00 H new ATOM 0 HD2 LYS A 99 17.176 -1.332 -1.752 1.00 0.00 H new ATOM 0 HD3 LYS A 99 16.093 -1.914 -3.001 1.00 0.00 H new ATOM 0 HE2 LYS A 99 15.086 0.532 -2.880 1.00 0.00 H new ATOM 0 HE3 LYS A 99 16.617 0.927 -2.124 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 16.704 1.261 -4.508 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 17.773 0.021 -4.057 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 16.289 -0.362 -4.789 1.00 0.00 H new ATOM 568 N TYR A 100 14.046 -2.803 1.169 1.00 0.00 N ATOM 569 CA TYR A 100 14.601 -3.691 2.184 1.00 0.00 C ATOM 570 C TYR A 100 13.590 -4.762 2.582 1.00 0.00 C ATOM 571 O TYR A 100 13.775 -5.945 2.293 1.00 0.00 O ATOM 572 CB TYR A 100 15.023 -2.890 3.417 1.00 0.00 C ATOM 573 CG TYR A 100 15.784 -1.626 3.086 1.00 0.00 C ATOM 574 CD1 TYR A 100 16.908 -1.661 2.271 1.00 0.00 C ATOM 575 CD2 TYR A 100 15.378 -0.396 3.589 1.00 0.00 C ATOM 576 CE1 TYR A 100 17.607 -0.509 1.967 1.00 0.00 C ATOM 577 CE2 TYR A 100 16.069 0.762 3.289 1.00 0.00 C ATOM 578 CZ TYR A 100 17.182 0.701 2.478 1.00 0.00 C ATOM 579 OH TYR A 100 17.874 1.851 2.177 1.00 0.00 O ATOM 0 H TYR A 100 14.333 -1.828 1.259 1.00 0.00 H new ATOM 0 HA TYR A 100 15.477 -4.182 1.761 1.00 0.00 H new ATOM 0 HB2 TYR A 100 14.135 -2.629 3.992 1.00 0.00 H new ATOM 0 HB3 TYR A 100 15.642 -3.520 4.055 1.00 0.00 H new ATOM 0 HD1 TYR A 100 17.241 -2.606 1.868 1.00 0.00 H new ATOM 0 HD2 TYR A 100 14.507 -0.344 4.226 1.00 0.00 H new ATOM 0 HE1 TYR A 100 18.481 -0.555 1.334 1.00 0.00 H new ATOM 0 HE2 TYR A 100 15.739 1.710 3.688 1.00 0.00 H new ATOM 0 HH TYR A 100 17.444 2.615 2.614 1.00 0.00 H new ATOM 589 N LYS A 101 12.520 -4.339 3.246 1.00 0.00 N ATOM 590 CA LYS A 101 11.477 -5.260 3.683 1.00 0.00 C ATOM 591 C LYS A 101 10.707 -5.816 2.489 1.00 0.00 C ATOM 592 O LYS A 101 10.294 -6.975 2.491 1.00 0.00 O ATOM 593 CB LYS A 101 10.514 -4.554 4.640 1.00 0.00 C ATOM 594 CG LYS A 101 11.205 -3.887 5.816 1.00 0.00 C ATOM 595 CD LYS A 101 11.453 -4.870 6.948 1.00 0.00 C ATOM 596 CE LYS A 101 12.330 -4.262 8.032 1.00 0.00 C ATOM 597 NZ LYS A 101 11.534 -3.481 9.018 1.00 0.00 N ATOM 0 H LYS A 101 12.352 -3.364 3.494 1.00 0.00 H new ATOM 0 HA LYS A 101 11.954 -6.090 4.204 1.00 0.00 H new ATOM 0 HB2 LYS A 101 9.951 -3.803 4.086 1.00 0.00 H new ATOM 0 HB3 LYS A 101 9.793 -5.279 5.017 1.00 0.00 H new ATOM 0 HG2 LYS A 101 12.153 -3.461 5.488 1.00 0.00 H new ATOM 0 HG3 LYS A 101 10.593 -3.061 6.178 1.00 0.00 H new ATOM 0 HD2 LYS A 101 10.500 -5.178 7.379 1.00 0.00 H new ATOM 0 HD3 LYS A 101 11.929 -5.768 6.554 1.00 0.00 H new ATOM 0 HE2 LYS A 101 12.871 -5.055 8.549 1.00 0.00 H new ATOM 0 HE3 LYS A 101 13.077 -3.614 7.573 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 12.169 -3.084 9.740 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 11.038 -2.708 8.530 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 10.838 -4.105 9.475 1.00 0.00 H new ATOM 611 N GLY A 102 10.520 -4.983 1.471 1.00 0.00 N ATOM 612 CA GLY A 102 9.802 -5.411 0.284 1.00 0.00 C ATOM 613 C GLY A 102 8.357 -4.954 0.285 1.00 0.00 C ATOM 614 O GLY A 102 7.492 -5.602 -0.306 1.00 0.00 O ATOM 0 H GLY A 102 10.853 -4.019 1.446 1.00 0.00 H new ATOM 0 HA2 GLY A 102 10.303 -5.019 -0.601 1.00 0.00 H new ATOM 0 HA3 GLY A 102 9.836 -6.498 0.215 1.00 0.00 H new ATOM 618 N THR A 103 8.092 -3.835 0.952 1.00 0.00 N ATOM 619 CA THR A 103 6.741 -3.293 1.030 1.00 0.00 C ATOM 620 C THR A 103 6.719 -1.815 0.659 1.00 0.00 C ATOM 621 O THR A 103 7.762 -1.164 0.600 1.00 0.00 O ATOM 622 CB THR A 103 6.147 -3.465 2.441 1.00 0.00 C ATOM 623 OG1 THR A 103 6.926 -2.731 3.393 1.00 0.00 O ATOM 624 CG2 THR A 103 6.107 -4.934 2.836 1.00 0.00 C ATOM 0 H THR A 103 8.796 -3.286 1.446 1.00 0.00 H new ATOM 0 HA THR A 103 6.135 -3.853 0.318 1.00 0.00 H new ATOM 0 HB THR A 103 5.127 -3.080 2.432 1.00 0.00 H new ATOM 0 HG1 THR A 103 6.356 -2.075 3.846 1.00 0.00 H new ATOM 0 HG21 THR A 103 5.684 -5.031 3.836 1.00 0.00 H new ATOM 0 HG22 THR A 103 5.490 -5.485 2.126 1.00 0.00 H new ATOM 0 HG23 THR A 103 7.118 -5.340 2.829 1.00 0.00 H new ATOM 632 N ALA A 104 5.524 -1.290 0.410 1.00 0.00 N ATOM 633 CA ALA A 104 5.366 0.113 0.047 1.00 0.00 C ATOM 634 C ALA A 104 4.157 0.728 0.743 1.00 0.00 C ATOM 635 O ALA A 104 3.061 0.168 0.715 1.00 0.00 O ATOM 636 CB ALA A 104 5.237 0.256 -1.463 1.00 0.00 C ATOM 0 H ALA A 104 4.651 -1.815 0.453 1.00 0.00 H new ATOM 0 HA ALA A 104 6.255 0.650 0.378 1.00 0.00 H new ATOM 0 HB1 ALA A 104 5.120 1.309 -1.720 1.00 0.00 H new ATOM 0 HB2 ALA A 104 6.133 -0.137 -1.944 1.00 0.00 H new ATOM 0 HB3 ALA A 104 4.366 -0.301 -1.808 1.00 0.00 H new ATOM 642 N PHE A 105 4.364 1.882 1.369 1.00 0.00 N ATOM 643 CA PHE A 105 3.290 2.572 2.075 1.00 0.00 C ATOM 644 C PHE A 105 3.003 3.928 1.436 1.00 0.00 C ATOM 645 O PHE A 105 3.898 4.760 1.291 1.00 0.00 O ATOM 646 CB PHE A 105 3.657 2.757 3.549 1.00 0.00 C ATOM 647 CG PHE A 105 3.846 1.463 4.287 1.00 0.00 C ATOM 648 CD1 PHE A 105 2.767 0.819 4.870 1.00 0.00 C ATOM 649 CD2 PHE A 105 5.103 0.890 4.396 1.00 0.00 C ATOM 650 CE1 PHE A 105 2.938 -0.372 5.551 1.00 0.00 C ATOM 651 CE2 PHE A 105 5.280 -0.301 5.075 1.00 0.00 C ATOM 652 CZ PHE A 105 4.196 -0.933 5.652 1.00 0.00 C ATOM 0 H PHE A 105 5.265 2.359 1.402 1.00 0.00 H new ATOM 0 HA PHE A 105 2.391 1.960 2.006 1.00 0.00 H new ATOM 0 HB2 PHE A 105 4.575 3.341 3.616 1.00 0.00 H new ATOM 0 HB3 PHE A 105 2.874 3.335 4.040 1.00 0.00 H new ATOM 0 HD1 PHE A 105 1.781 1.252 4.792 1.00 0.00 H new ATOM 0 HD2 PHE A 105 5.954 1.379 3.945 1.00 0.00 H new ATOM 0 HE1 PHE A 105 2.089 -0.863 6.003 1.00 0.00 H new ATOM 0 HE2 PHE A 105 6.265 -0.737 5.154 1.00 0.00 H new ATOM 0 HZ PHE A 105 4.332 -1.865 6.181 1.00 0.00 H new ATOM 662 N VAL A 106 1.748 4.142 1.056 1.00 0.00 N ATOM 663 CA VAL A 106 1.341 5.396 0.433 1.00 0.00 C ATOM 664 C VAL A 106 0.119 5.984 1.130 1.00 0.00 C ATOM 665 O VAL A 106 -0.866 5.288 1.374 1.00 0.00 O ATOM 666 CB VAL A 106 1.023 5.203 -1.062 1.00 0.00 C ATOM 667 CG1 VAL A 106 0.795 6.547 -1.737 1.00 0.00 C ATOM 668 CG2 VAL A 106 2.141 4.434 -1.749 1.00 0.00 C ATOM 0 H VAL A 106 0.995 3.463 1.169 1.00 0.00 H new ATOM 0 HA VAL A 106 2.179 6.086 0.532 1.00 0.00 H new ATOM 0 HB VAL A 106 0.106 4.620 -1.149 1.00 0.00 H new ATOM 0 HG11 VAL A 106 0.572 6.391 -2.792 1.00 0.00 H new ATOM 0 HG12 VAL A 106 -0.043 7.056 -1.260 1.00 0.00 H new ATOM 0 HG13 VAL A 106 1.692 7.158 -1.643 1.00 0.00 H new ATOM 0 HG21 VAL A 106 1.900 4.307 -2.804 1.00 0.00 H new ATOM 0 HG22 VAL A 106 3.075 4.988 -1.654 1.00 0.00 H new ATOM 0 HG23 VAL A 106 2.250 3.456 -1.281 1.00 0.00 H new ATOM 678 N THR A 107 0.190 7.273 1.447 1.00 0.00 N ATOM 679 CA THR A 107 -0.910 7.957 2.117 1.00 0.00 C ATOM 680 C THR A 107 -1.680 8.843 1.144 1.00 0.00 C ATOM 681 O THR A 107 -1.155 9.840 0.647 1.00 0.00 O ATOM 682 CB THR A 107 -0.405 8.819 3.289 1.00 0.00 C ATOM 683 OG1 THR A 107 0.621 8.122 4.003 1.00 0.00 O ATOM 684 CG2 THR A 107 -1.544 9.164 4.236 1.00 0.00 C ATOM 0 H THR A 107 0.997 7.865 1.251 1.00 0.00 H new ATOM 0 HA THR A 107 -1.574 7.184 2.504 1.00 0.00 H new ATOM 0 HB THR A 107 0.001 9.745 2.882 1.00 0.00 H new ATOM 0 HG1 THR A 107 0.938 8.678 4.746 1.00 0.00 H new ATOM 0 HG21 THR A 107 -1.164 9.773 5.056 1.00 0.00 H new ATOM 0 HG22 THR A 107 -2.310 9.720 3.696 1.00 0.00 H new ATOM 0 HG23 THR A 107 -1.975 8.246 4.636 1.00 0.00 H new ATOM 692 N LEU A 108 -2.928 8.474 0.877 1.00 0.00 N ATOM 693 CA LEU A 108 -3.772 9.236 -0.037 1.00 0.00 C ATOM 694 C LEU A 108 -4.475 10.375 0.694 1.00 0.00 C ATOM 695 O LEU A 108 -4.286 10.567 1.896 1.00 0.00 O ATOM 696 CB LEU A 108 -4.807 8.320 -0.692 1.00 0.00 C ATOM 697 CG LEU A 108 -4.353 7.593 -1.958 1.00 0.00 C ATOM 698 CD1 LEU A 108 -5.246 6.393 -2.234 1.00 0.00 C ATOM 699 CD2 LEU A 108 -4.352 8.543 -3.147 1.00 0.00 C ATOM 0 H LEU A 108 -3.378 7.652 1.280 1.00 0.00 H new ATOM 0 HA LEU A 108 -3.134 9.663 -0.810 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -5.118 7.574 0.040 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -5.688 8.915 -0.934 1.00 0.00 H new ATOM 0 HG LEU A 108 -3.335 7.235 -1.803 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -4.908 5.888 -3.139 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -5.197 5.702 -1.393 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -6.274 6.728 -2.369 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -4.026 8.009 -4.039 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -5.358 8.931 -3.304 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -3.671 9.371 -2.951 1.00 0.00 H new ATOM 711 N LEU A 109 -5.290 11.128 -0.038 1.00 0.00 N ATOM 712 CA LEU A 109 -6.024 12.247 0.541 1.00 0.00 C ATOM 713 C LEU A 109 -6.989 11.766 1.620 1.00 0.00 C ATOM 714 O LEU A 109 -6.768 11.990 2.809 1.00 0.00 O ATOM 715 CB LEU A 109 -6.793 12.997 -0.549 1.00 0.00 C ATOM 716 CG LEU A 109 -7.733 14.102 -0.068 1.00 0.00 C ATOM 717 CD1 LEU A 109 -6.963 15.156 0.713 1.00 0.00 C ATOM 718 CD2 LEU A 109 -8.460 14.734 -1.246 1.00 0.00 C ATOM 0 H LEU A 109 -5.459 10.983 -1.034 1.00 0.00 H new ATOM 0 HA LEU A 109 -5.303 12.923 1.000 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -6.071 13.436 -1.238 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -7.377 12.273 -1.117 1.00 0.00 H new ATOM 0 HG LEU A 109 -8.475 13.658 0.595 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -7.649 15.934 1.047 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -6.489 14.693 1.579 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -6.198 15.596 0.073 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -9.125 15.519 -0.885 1.00 0.00 H new ATOM 0 HD22 LEU A 109 -7.732 15.164 -1.935 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -9.044 13.973 -1.764 1.00 0.00 H new ATOM 730 N ASN A 110 -8.059 11.101 1.196 1.00 0.00 N ATOM 731 CA ASN A 110 -9.057 10.586 2.126 1.00 0.00 C ATOM 732 C ASN A 110 -9.183 9.070 2.004 1.00 0.00 C ATOM 733 O ASN A 110 -8.507 8.444 1.190 1.00 0.00 O ATOM 734 CB ASN A 110 -10.413 11.245 1.868 1.00 0.00 C ATOM 735 CG ASN A 110 -10.599 11.635 0.414 1.00 0.00 C ATOM 736 OD1 ASN A 110 -10.705 12.817 0.086 1.00 0.00 O ATOM 737 ND2 ASN A 110 -10.639 10.640 -0.465 1.00 0.00 N ATOM 0 H ASN A 110 -8.257 10.906 0.215 1.00 0.00 H new ATOM 0 HA ASN A 110 -8.732 10.825 3.139 1.00 0.00 H new ATOM 0 HB2 ASN A 110 -11.208 10.560 2.162 1.00 0.00 H new ATOM 0 HB3 ASN A 110 -10.508 12.132 2.494 1.00 0.00 H new ATOM 0 HD21 ASN A 110 -10.762 10.841 -1.457 1.00 0.00 H new ATOM 0 HD22 ASN A 110 -10.547 9.675 -0.148 1.00 0.00 H new ATOM 744 N GLY A 111 -10.056 8.487 2.820 1.00 0.00 N ATOM 745 CA GLY A 111 -10.257 7.050 2.787 1.00 0.00 C ATOM 746 C GLY A 111 -10.912 6.585 1.502 1.00 0.00 C ATOM 747 O GLY A 111 -10.779 5.424 1.115 1.00 0.00 O ATOM 0 H GLY A 111 -10.627 8.984 3.503 1.00 0.00 H new ATOM 0 HA2 GLY A 111 -9.296 6.549 2.903 1.00 0.00 H new ATOM 0 HA3 GLY A 111 -10.875 6.753 3.634 1.00 0.00 H new ATOM 751 N GLU A 112 -11.622 7.492 0.839 1.00 0.00 N ATOM 752 CA GLU A 112 -12.302 7.167 -0.409 1.00 0.00 C ATOM 753 C GLU A 112 -11.311 6.656 -1.451 1.00 0.00 C ATOM 754 O GLU A 112 -11.539 5.626 -2.086 1.00 0.00 O ATOM 755 CB GLU A 112 -13.039 8.394 -0.949 1.00 0.00 C ATOM 756 CG GLU A 112 -14.341 8.691 -0.224 1.00 0.00 C ATOM 757 CD GLU A 112 -14.119 9.217 1.181 1.00 0.00 C ATOM 758 OE1 GLU A 112 -13.645 10.365 1.316 1.00 0.00 O ATOM 759 OE2 GLU A 112 -14.419 8.482 2.145 1.00 0.00 O ATOM 0 H GLU A 112 -11.741 8.458 1.145 1.00 0.00 H new ATOM 0 HA GLU A 112 -13.026 6.379 -0.204 1.00 0.00 H new ATOM 0 HB2 GLU A 112 -12.385 9.263 -0.873 1.00 0.00 H new ATOM 0 HB3 GLU A 112 -13.249 8.244 -2.008 1.00 0.00 H new ATOM 0 HG2 GLU A 112 -14.912 9.422 -0.796 1.00 0.00 H new ATOM 0 HG3 GLU A 112 -14.942 7.783 -0.177 1.00 0.00 H new ATOM 766 N GLN A 113 -10.212 7.383 -1.620 1.00 0.00 N ATOM 767 CA GLN A 113 -9.187 7.004 -2.586 1.00 0.00 C ATOM 768 C GLN A 113 -8.430 5.765 -2.118 1.00 0.00 C ATOM 769 O GLN A 113 -8.017 4.936 -2.928 1.00 0.00 O ATOM 770 CB GLN A 113 -8.210 8.160 -2.805 1.00 0.00 C ATOM 771 CG GLN A 113 -8.887 9.461 -3.206 1.00 0.00 C ATOM 772 CD GLN A 113 -7.899 10.515 -3.665 1.00 0.00 C ATOM 773 OE1 GLN A 113 -8.053 11.102 -4.737 1.00 0.00 O ATOM 774 NE2 GLN A 113 -6.878 10.763 -2.854 1.00 0.00 N ATOM 0 H GLN A 113 -10.008 8.237 -1.101 1.00 0.00 H new ATOM 0 HA GLN A 113 -9.681 6.771 -3.529 1.00 0.00 H new ATOM 0 HB2 GLN A 113 -7.642 8.323 -1.889 1.00 0.00 H new ATOM 0 HB3 GLN A 113 -7.495 7.879 -3.578 1.00 0.00 H new ATOM 0 HG2 GLN A 113 -9.600 9.264 -4.006 1.00 0.00 H new ATOM 0 HG3 GLN A 113 -9.456 9.846 -2.360 1.00 0.00 H new ATOM 0 HE21 GLN A 113 -6.789 10.253 -1.975 1.00 0.00 H new ATOM 0 HE22 GLN A 113 -6.182 11.464 -3.110 1.00 0.00 H new ATOM 783 N ALA A 114 -8.252 5.646 -0.807 1.00 0.00 N ATOM 784 CA ALA A 114 -7.546 4.508 -0.231 1.00 0.00 C ATOM 785 C ALA A 114 -8.309 3.210 -0.473 1.00 0.00 C ATOM 786 O ALA A 114 -7.726 2.203 -0.873 1.00 0.00 O ATOM 787 CB ALA A 114 -7.325 4.723 1.259 1.00 0.00 C ATOM 0 H ALA A 114 -8.587 6.324 -0.123 1.00 0.00 H new ATOM 0 HA ALA A 114 -6.576 4.426 -0.722 1.00 0.00 H new ATOM 0 HB1 ALA A 114 -6.797 3.866 1.676 1.00 0.00 H new ATOM 0 HB2 ALA A 114 -6.732 5.624 1.412 1.00 0.00 H new ATOM 0 HB3 ALA A 114 -8.288 4.833 1.757 1.00 0.00 H new ATOM 793 N GLU A 115 -9.615 3.241 -0.228 1.00 0.00 N ATOM 794 CA GLU A 115 -10.456 2.066 -0.418 1.00 0.00 C ATOM 795 C GLU A 115 -10.480 1.646 -1.885 1.00 0.00 C ATOM 796 O GLU A 115 -10.331 0.467 -2.207 1.00 0.00 O ATOM 797 CB GLU A 115 -11.880 2.345 0.067 1.00 0.00 C ATOM 798 CG GLU A 115 -12.894 1.311 -0.393 1.00 0.00 C ATOM 799 CD GLU A 115 -14.081 1.202 0.543 1.00 0.00 C ATOM 800 OE1 GLU A 115 -14.535 2.248 1.052 1.00 0.00 O ATOM 801 OE2 GLU A 115 -14.556 0.069 0.767 1.00 0.00 O ATOM 0 H GLU A 115 -10.113 4.067 0.103 1.00 0.00 H new ATOM 0 HA GLU A 115 -10.034 1.251 0.169 1.00 0.00 H new ATOM 0 HB2 GLU A 115 -11.882 2.384 1.156 1.00 0.00 H new ATOM 0 HB3 GLU A 115 -12.190 3.328 -0.288 1.00 0.00 H new ATOM 0 HG2 GLU A 115 -13.246 1.572 -1.391 1.00 0.00 H new ATOM 0 HG3 GLU A 115 -12.407 0.339 -0.471 1.00 0.00 H new ATOM 808 N ALA A 116 -10.669 2.619 -2.770 1.00 0.00 N ATOM 809 CA ALA A 116 -10.711 2.352 -4.203 1.00 0.00 C ATOM 810 C ALA A 116 -9.396 1.751 -4.688 1.00 0.00 C ATOM 811 O ALA A 116 -9.389 0.816 -5.488 1.00 0.00 O ATOM 812 CB ALA A 116 -11.024 3.629 -4.969 1.00 0.00 C ATOM 0 H ALA A 116 -10.796 3.600 -2.520 1.00 0.00 H new ATOM 0 HA ALA A 116 -11.503 1.626 -4.389 1.00 0.00 H new ATOM 0 HB1 ALA A 116 -11.052 3.415 -6.037 1.00 0.00 H new ATOM 0 HB2 ALA A 116 -11.992 4.016 -4.651 1.00 0.00 H new ATOM 0 HB3 ALA A 116 -10.252 4.372 -4.768 1.00 0.00 H new ATOM 818 N ALA A 117 -8.286 2.293 -4.198 1.00 0.00 N ATOM 819 CA ALA A 117 -6.966 1.809 -4.581 1.00 0.00 C ATOM 820 C ALA A 117 -6.706 0.417 -4.014 1.00 0.00 C ATOM 821 O ALA A 117 -6.196 -0.461 -4.710 1.00 0.00 O ATOM 822 CB ALA A 117 -5.892 2.780 -4.115 1.00 0.00 C ATOM 0 H ALA A 117 -8.275 3.068 -3.535 1.00 0.00 H new ATOM 0 HA ALA A 117 -6.932 1.742 -5.668 1.00 0.00 H new ATOM 0 HB1 ALA A 117 -4.911 2.406 -4.408 1.00 0.00 H new ATOM 0 HB2 ALA A 117 -6.060 3.755 -4.572 1.00 0.00 H new ATOM 0 HB3 ALA A 117 -5.934 2.876 -3.030 1.00 0.00 H new ATOM 828 N ILE A 118 -7.059 0.224 -2.748 1.00 0.00 N ATOM 829 CA ILE A 118 -6.864 -1.061 -2.088 1.00 0.00 C ATOM 830 C ILE A 118 -7.753 -2.136 -2.704 1.00 0.00 C ATOM 831 O ILE A 118 -7.330 -3.276 -2.886 1.00 0.00 O ATOM 832 CB ILE A 118 -7.158 -0.970 -0.579 1.00 0.00 C ATOM 833 CG1 ILE A 118 -6.087 -0.132 0.122 1.00 0.00 C ATOM 834 CG2 ILE A 118 -7.233 -2.361 0.031 1.00 0.00 C ATOM 835 CD1 ILE A 118 -6.462 0.274 1.530 1.00 0.00 C ATOM 0 H ILE A 118 -7.482 0.941 -2.159 1.00 0.00 H new ATOM 0 HA ILE A 118 -5.818 -1.333 -2.230 1.00 0.00 H new ATOM 0 HB ILE A 118 -8.123 -0.482 -0.441 1.00 0.00 H new ATOM 0 HG12 ILE A 118 -5.156 -0.698 0.152 1.00 0.00 H new ATOM 0 HG13 ILE A 118 -5.896 0.765 -0.467 1.00 0.00 H new ATOM 0 HG21 ILE A 118 -7.441 -2.280 1.098 1.00 0.00 H new ATOM 0 HG22 ILE A 118 -8.029 -2.928 -0.452 1.00 0.00 H new ATOM 0 HG23 ILE A 118 -6.282 -2.874 -0.115 1.00 0.00 H new ATOM 0 HD11 ILE A 118 -5.656 0.865 1.965 1.00 0.00 H new ATOM 0 HD12 ILE A 118 -7.376 0.868 1.506 1.00 0.00 H new ATOM 0 HD13 ILE A 118 -6.625 -0.618 2.135 1.00 0.00 H new ATOM 847 N ASN A 119 -8.988 -1.763 -3.024 1.00 0.00 N ATOM 848 CA ASN A 119 -9.937 -2.695 -3.621 1.00 0.00 C ATOM 849 C ASN A 119 -9.362 -3.321 -4.888 1.00 0.00 C ATOM 850 O ASN A 119 -9.414 -4.537 -5.072 1.00 0.00 O ATOM 851 CB ASN A 119 -11.251 -1.980 -3.944 1.00 0.00 C ATOM 852 CG ASN A 119 -12.448 -2.907 -3.864 1.00 0.00 C ATOM 853 OD1 ASN A 119 -12.326 -4.116 -4.064 1.00 0.00 O ATOM 854 ND2 ASN A 119 -13.615 -2.344 -3.571 1.00 0.00 N ATOM 0 H ASN A 119 -9.355 -0.822 -2.880 1.00 0.00 H new ATOM 0 HA ASN A 119 -10.130 -3.489 -2.900 1.00 0.00 H new ATOM 0 HB2 ASN A 119 -11.390 -1.151 -3.251 1.00 0.00 H new ATOM 0 HB3 ASN A 119 -11.192 -1.552 -4.945 1.00 0.00 H new ATOM 0 HD21 ASN A 119 -14.456 -2.918 -3.504 1.00 0.00 H new ATOM 0 HD22 ASN A 119 -13.670 -1.338 -3.413 1.00 0.00 H new ATOM 861 N THR A 120 -8.811 -2.481 -5.759 1.00 0.00 N ATOM 862 CA THR A 120 -8.226 -2.951 -7.009 1.00 0.00 C ATOM 863 C THR A 120 -6.845 -3.552 -6.777 1.00 0.00 C ATOM 864 O THR A 120 -6.549 -4.652 -7.245 1.00 0.00 O ATOM 865 CB THR A 120 -8.111 -1.811 -8.039 1.00 0.00 C ATOM 866 OG1 THR A 120 -9.367 -1.135 -8.164 1.00 0.00 O ATOM 867 CG2 THR A 120 -7.682 -2.349 -9.395 1.00 0.00 C ATOM 0 H THR A 120 -8.758 -1.472 -5.622 1.00 0.00 H new ATOM 0 HA THR A 120 -8.893 -3.719 -7.401 1.00 0.00 H new ATOM 0 HB THR A 120 -7.355 -1.109 -7.688 1.00 0.00 H new ATOM 0 HG1 THR A 120 -9.484 -0.520 -7.410 1.00 0.00 H new ATOM 0 HG21 THR A 120 -7.608 -1.526 -10.106 1.00 0.00 H new ATOM 0 HG22 THR A 120 -6.712 -2.837 -9.302 1.00 0.00 H new ATOM 0 HG23 THR A 120 -8.419 -3.070 -9.750 1.00 0.00 H new ATOM 875 N PHE A 121 -6.002 -2.824 -6.052 1.00 0.00 N ATOM 876 CA PHE A 121 -4.650 -3.287 -5.758 1.00 0.00 C ATOM 877 C PHE A 121 -4.681 -4.615 -5.008 1.00 0.00 C ATOM 878 O PHE A 121 -3.761 -5.426 -5.120 1.00 0.00 O ATOM 879 CB PHE A 121 -3.898 -2.240 -4.933 1.00 0.00 C ATOM 880 CG PHE A 121 -3.797 -0.903 -5.611 1.00 0.00 C ATOM 881 CD1 PHE A 121 -4.122 -0.764 -6.951 1.00 0.00 C ATOM 882 CD2 PHE A 121 -3.377 0.214 -4.908 1.00 0.00 C ATOM 883 CE1 PHE A 121 -4.029 0.464 -7.576 1.00 0.00 C ATOM 884 CE2 PHE A 121 -3.282 1.446 -5.529 1.00 0.00 C ATOM 885 CZ PHE A 121 -3.610 1.571 -6.864 1.00 0.00 C ATOM 0 H PHE A 121 -6.231 -1.912 -5.657 1.00 0.00 H new ATOM 0 HA PHE A 121 -4.130 -3.436 -6.704 1.00 0.00 H new ATOM 0 HB2 PHE A 121 -4.401 -2.115 -3.974 1.00 0.00 H new ATOM 0 HB3 PHE A 121 -2.894 -2.608 -4.721 1.00 0.00 H new ATOM 0 HD1 PHE A 121 -4.452 -1.626 -7.513 1.00 0.00 H new ATOM 0 HD2 PHE A 121 -3.121 0.122 -3.863 1.00 0.00 H new ATOM 0 HE1 PHE A 121 -4.284 0.559 -8.621 1.00 0.00 H new ATOM 0 HE2 PHE A 121 -2.952 2.309 -4.970 1.00 0.00 H new ATOM 0 HZ PHE A 121 -3.539 2.532 -7.351 1.00 0.00 H new ATOM 895 N HIS A 122 -5.745 -4.831 -4.241 1.00 0.00 N ATOM 896 CA HIS A 122 -5.897 -6.060 -3.471 1.00 0.00 C ATOM 897 C HIS A 122 -6.162 -7.248 -4.392 1.00 0.00 C ATOM 898 O HIS A 122 -6.554 -7.075 -5.545 1.00 0.00 O ATOM 899 CB HIS A 122 -7.037 -5.918 -2.462 1.00 0.00 C ATOM 900 CG HIS A 122 -7.429 -7.211 -1.815 1.00 0.00 C ATOM 901 ND1 HIS A 122 -6.599 -7.909 -0.964 1.00 0.00 N ATOM 902 CD2 HIS A 122 -8.572 -7.931 -1.898 1.00 0.00 C ATOM 903 CE1 HIS A 122 -7.213 -9.003 -0.553 1.00 0.00 C ATOM 904 NE2 HIS A 122 -8.413 -9.040 -1.105 1.00 0.00 N ATOM 0 H HIS A 122 -6.515 -4.170 -4.136 1.00 0.00 H new ATOM 0 HA HIS A 122 -4.966 -6.240 -2.933 1.00 0.00 H new ATOM 0 HB2 HIS A 122 -6.740 -5.209 -1.689 1.00 0.00 H new ATOM 0 HB3 HIS A 122 -7.906 -5.495 -2.966 1.00 0.00 H new ATOM 0 HD2 HIS A 122 -9.446 -7.680 -2.480 1.00 0.00 H new ATOM 0 HE1 HIS A 122 -6.804 -9.742 0.120 1.00 0.00 H new ATOM 0 HE2 HIS A 122 -9.108 -9.773 -0.965 1.00 0.00 H new ATOM 913 N GLN A 123 -5.944 -8.452 -3.873 1.00 0.00 N ATOM 914 CA GLN A 123 -6.158 -9.668 -4.649 1.00 0.00 C ATOM 915 C GLN A 123 -5.555 -9.536 -6.044 1.00 0.00 C ATOM 916 O GLN A 123 -6.025 -10.159 -6.996 1.00 0.00 O ATOM 917 CB GLN A 123 -7.653 -9.975 -4.754 1.00 0.00 C ATOM 918 CG GLN A 123 -8.440 -8.917 -5.510 1.00 0.00 C ATOM 919 CD GLN A 123 -9.802 -9.410 -5.957 1.00 0.00 C ATOM 920 OE1 GLN A 123 -10.659 -9.733 -5.134 1.00 0.00 O ATOM 921 NE2 GLN A 123 -10.009 -9.472 -7.267 1.00 0.00 N ATOM 0 H GLN A 123 -5.620 -8.612 -2.919 1.00 0.00 H new ATOM 0 HA GLN A 123 -5.661 -10.490 -4.134 1.00 0.00 H new ATOM 0 HB2 GLN A 123 -7.784 -10.937 -5.250 1.00 0.00 H new ATOM 0 HB3 GLN A 123 -8.066 -10.075 -3.750 1.00 0.00 H new ATOM 0 HG2 GLN A 123 -8.566 -8.040 -4.875 1.00 0.00 H new ATOM 0 HG3 GLN A 123 -7.869 -8.599 -6.382 1.00 0.00 H new ATOM 0 HE21 GLN A 123 -9.271 -9.194 -7.914 1.00 0.00 H new ATOM 0 HE22 GLN A 123 -10.906 -9.797 -7.627 1.00 0.00 H new ATOM 930 N SER A 124 -4.512 -8.720 -6.158 1.00 0.00 N ATOM 931 CA SER A 124 -3.847 -8.503 -7.437 1.00 0.00 C ATOM 932 C SER A 124 -2.593 -9.364 -7.551 1.00 0.00 C ATOM 933 O SER A 124 -2.167 -9.991 -6.581 1.00 0.00 O ATOM 934 CB SER A 124 -3.483 -7.026 -7.603 1.00 0.00 C ATOM 935 OG SER A 124 -2.325 -6.700 -6.855 1.00 0.00 O ATOM 0 H SER A 124 -4.109 -8.198 -5.380 1.00 0.00 H new ATOM 0 HA SER A 124 -4.537 -8.791 -8.230 1.00 0.00 H new ATOM 0 HB2 SER A 124 -3.313 -6.806 -8.657 1.00 0.00 H new ATOM 0 HB3 SER A 124 -4.317 -6.404 -7.278 1.00 0.00 H new ATOM 0 HG SER A 124 -2.581 -6.172 -6.070 1.00 0.00 H new ATOM 941 N ARG A 125 -2.005 -9.388 -8.743 1.00 0.00 N ATOM 942 CA ARG A 125 -0.800 -10.173 -8.985 1.00 0.00 C ATOM 943 C ARG A 125 0.146 -9.438 -9.929 1.00 0.00 C ATOM 944 O ARG A 125 -0.287 -8.646 -10.768 1.00 0.00 O ATOM 945 CB ARG A 125 -1.164 -11.538 -9.570 1.00 0.00 C ATOM 946 CG ARG A 125 -1.838 -12.468 -8.574 1.00 0.00 C ATOM 947 CD ARG A 125 -1.626 -13.928 -8.944 1.00 0.00 C ATOM 948 NE ARG A 125 -1.704 -14.804 -7.778 1.00 0.00 N ATOM 949 CZ ARG A 125 -2.838 -15.086 -7.145 1.00 0.00 C ATOM 950 NH1 ARG A 125 -3.982 -14.563 -7.564 1.00 0.00 N ATOM 951 NH2 ARG A 125 -2.829 -15.892 -6.092 1.00 0.00 N ATOM 0 H ARG A 125 -2.343 -8.873 -9.556 1.00 0.00 H new ATOM 0 HA ARG A 125 -0.293 -10.319 -8.031 1.00 0.00 H new ATOM 0 HB2 ARG A 125 -1.826 -11.393 -10.424 1.00 0.00 H new ATOM 0 HB3 ARG A 125 -0.259 -12.016 -9.945 1.00 0.00 H new ATOM 0 HG2 ARG A 125 -1.441 -12.283 -7.576 1.00 0.00 H new ATOM 0 HG3 ARG A 125 -2.906 -12.252 -8.538 1.00 0.00 H new ATOM 0 HD2 ARG A 125 -2.376 -14.230 -9.675 1.00 0.00 H new ATOM 0 HD3 ARG A 125 -0.652 -14.044 -9.420 1.00 0.00 H new ATOM 0 HE ARG A 125 -0.841 -15.222 -7.431 1.00 0.00 H new ATOM 0 HH11 ARG A 125 -3.993 -13.943 -8.374 1.00 0.00 H new ATOM 0 HH12 ARG A 125 -4.851 -14.781 -7.077 1.00 0.00 H new ATOM 0 HH21 ARG A 125 -1.951 -16.296 -5.767 1.00 0.00 H new ATOM 0 HH22 ARG A 125 -3.700 -16.107 -5.607 1.00 0.00 H new ATOM 965 N LEU A 126 1.440 -9.705 -9.788 1.00 0.00 N ATOM 966 CA LEU A 126 2.448 -9.069 -10.629 1.00 0.00 C ATOM 967 C LEU A 126 3.580 -10.040 -10.951 1.00 0.00 C ATOM 968 O LEU A 126 3.930 -10.893 -10.135 1.00 0.00 O ATOM 969 CB LEU A 126 3.009 -7.826 -9.934 1.00 0.00 C ATOM 970 CG LEU A 126 4.260 -7.213 -10.565 1.00 0.00 C ATOM 971 CD1 LEU A 126 3.892 -6.393 -11.792 1.00 0.00 C ATOM 972 CD2 LEU A 126 5.002 -6.354 -9.551 1.00 0.00 C ATOM 0 H LEU A 126 1.816 -10.357 -9.100 1.00 0.00 H new ATOM 0 HA LEU A 126 1.972 -8.772 -11.564 1.00 0.00 H new ATOM 0 HB2 LEU A 126 2.229 -7.065 -9.908 1.00 0.00 H new ATOM 0 HB3 LEU A 126 3.237 -8.084 -8.900 1.00 0.00 H new ATOM 0 HG LEU A 126 4.919 -8.022 -10.878 1.00 0.00 H new ATOM 0 HD11 LEU A 126 4.795 -5.965 -12.228 1.00 0.00 H new ATOM 0 HD12 LEU A 126 3.404 -7.035 -12.526 1.00 0.00 H new ATOM 0 HD13 LEU A 126 3.213 -5.591 -11.503 1.00 0.00 H new ATOM 0 HD21 LEU A 126 5.889 -5.926 -10.017 1.00 0.00 H new ATOM 0 HD22 LEU A 126 4.349 -5.551 -9.207 1.00 0.00 H new ATOM 0 HD23 LEU A 126 5.299 -6.969 -8.701 1.00 0.00 H new ATOM 984 N ARG A 127 4.149 -9.902 -12.144 1.00 0.00 N ATOM 985 CA ARG A 127 5.241 -10.767 -12.573 1.00 0.00 C ATOM 986 C ARG A 127 5.044 -12.189 -12.059 1.00 0.00 C ATOM 987 O ARG A 127 5.995 -12.843 -11.632 1.00 0.00 O ATOM 988 CB ARG A 127 6.580 -10.216 -12.079 1.00 0.00 C ATOM 989 CG ARG A 127 6.904 -8.831 -12.616 1.00 0.00 C ATOM 990 CD ARG A 127 7.375 -8.889 -14.061 1.00 0.00 C ATOM 991 NE ARG A 127 7.762 -7.574 -14.564 1.00 0.00 N ATOM 992 CZ ARG A 127 8.841 -6.918 -14.153 1.00 0.00 C ATOM 993 NH1 ARG A 127 9.637 -7.453 -13.237 1.00 0.00 N ATOM 994 NH2 ARG A 127 9.127 -5.725 -14.658 1.00 0.00 N ATOM 0 H ARG A 127 3.872 -9.200 -12.830 1.00 0.00 H new ATOM 0 HA ARG A 127 5.245 -10.791 -13.663 1.00 0.00 H new ATOM 0 HB2 ARG A 127 6.569 -10.181 -10.990 1.00 0.00 H new ATOM 0 HB3 ARG A 127 7.375 -10.904 -12.368 1.00 0.00 H new ATOM 0 HG2 ARG A 127 6.020 -8.197 -12.546 1.00 0.00 H new ATOM 0 HG3 ARG A 127 7.676 -8.372 -11.999 1.00 0.00 H new ATOM 0 HD2 ARG A 127 8.222 -9.571 -14.139 1.00 0.00 H new ATOM 0 HD3 ARG A 127 6.580 -9.296 -14.685 1.00 0.00 H new ATOM 0 HE ARG A 127 7.171 -7.135 -15.270 1.00 0.00 H new ATOM 0 HH11 ARG A 127 9.421 -8.370 -12.847 1.00 0.00 H new ATOM 0 HH12 ARG A 127 10.465 -6.947 -12.923 1.00 0.00 H new ATOM 0 HH21 ARG A 127 8.518 -5.310 -15.363 1.00 0.00 H new ATOM 0 HH22 ARG A 127 9.956 -5.223 -14.341 1.00 0.00 H new ATOM 1008 N GLU A 128 3.802 -12.662 -12.102 1.00 0.00 N ATOM 1009 CA GLU A 128 3.480 -14.006 -11.638 1.00 0.00 C ATOM 1010 C GLU A 128 3.758 -14.148 -10.144 1.00 0.00 C ATOM 1011 O GLU A 128 4.479 -15.052 -9.720 1.00 0.00 O ATOM 1012 CB GLU A 128 4.286 -15.046 -12.419 1.00 0.00 C ATOM 1013 CG GLU A 128 4.199 -14.876 -13.927 1.00 0.00 C ATOM 1014 CD GLU A 128 5.220 -15.717 -14.669 1.00 0.00 C ATOM 1015 OE1 GLU A 128 4.916 -16.890 -14.970 1.00 0.00 O ATOM 1016 OE2 GLU A 128 6.322 -15.201 -14.948 1.00 0.00 O ATOM 0 H GLU A 128 3.003 -12.134 -12.453 1.00 0.00 H new ATOM 0 HA GLU A 128 2.417 -14.177 -11.810 1.00 0.00 H new ATOM 0 HB2 GLU A 128 5.331 -14.987 -12.115 1.00 0.00 H new ATOM 0 HB3 GLU A 128 3.932 -16.042 -12.153 1.00 0.00 H new ATOM 0 HG2 GLU A 128 3.198 -15.147 -14.262 1.00 0.00 H new ATOM 0 HG3 GLU A 128 4.346 -13.826 -14.180 1.00 0.00 H new ATOM 1023 N ARG A 129 3.183 -13.248 -9.353 1.00 0.00 N ATOM 1024 CA ARG A 129 3.371 -13.271 -7.907 1.00 0.00 C ATOM 1025 C ARG A 129 2.131 -12.746 -7.190 1.00 0.00 C ATOM 1026 O ARG A 129 1.446 -11.853 -7.688 1.00 0.00 O ATOM 1027 CB ARG A 129 4.592 -12.436 -7.517 1.00 0.00 C ATOM 1028 CG ARG A 129 4.266 -10.981 -7.224 1.00 0.00 C ATOM 1029 CD ARG A 129 3.847 -10.784 -5.776 1.00 0.00 C ATOM 1030 NE ARG A 129 4.998 -10.655 -4.886 1.00 0.00 N ATOM 1031 CZ ARG A 129 5.531 -11.674 -4.222 1.00 0.00 C ATOM 1032 NH1 ARG A 129 5.021 -12.891 -4.347 1.00 0.00 N ATOM 1033 NH2 ARG A 129 6.578 -11.477 -3.431 1.00 0.00 N ATOM 0 H ARG A 129 2.583 -12.494 -9.689 1.00 0.00 H new ATOM 0 HA ARG A 129 3.535 -14.305 -7.603 1.00 0.00 H new ATOM 0 HB2 ARG A 129 5.059 -12.879 -6.637 1.00 0.00 H new ATOM 0 HB3 ARG A 129 5.324 -12.480 -8.323 1.00 0.00 H new ATOM 0 HG2 ARG A 129 5.137 -10.362 -7.439 1.00 0.00 H new ATOM 0 HG3 ARG A 129 3.466 -10.646 -7.884 1.00 0.00 H new ATOM 0 HD2 ARG A 129 3.226 -9.892 -5.697 1.00 0.00 H new ATOM 0 HD3 ARG A 129 3.235 -11.628 -5.458 1.00 0.00 H new ATOM 0 HE ARG A 129 5.415 -9.732 -4.768 1.00 0.00 H new ATOM 0 HH11 ARG A 129 4.217 -13.047 -4.955 1.00 0.00 H new ATOM 0 HH12 ARG A 129 5.433 -13.672 -3.836 1.00 0.00 H new ATOM 0 HH21 ARG A 129 6.974 -10.542 -3.333 1.00 0.00 H new ATOM 0 HH22 ARG A 129 6.987 -12.260 -2.921 1.00 0.00 H new ATOM 1047 N GLU A 130 1.849 -13.307 -6.018 1.00 0.00 N ATOM 1048 CA GLU A 130 0.691 -12.895 -5.234 1.00 0.00 C ATOM 1049 C GLU A 130 0.985 -11.613 -4.460 1.00 0.00 C ATOM 1050 O GLU A 130 1.947 -11.544 -3.694 1.00 0.00 O ATOM 1051 CB GLU A 130 0.282 -14.006 -4.265 1.00 0.00 C ATOM 1052 CG GLU A 130 -0.943 -13.667 -3.431 1.00 0.00 C ATOM 1053 CD GLU A 130 -1.356 -14.801 -2.514 1.00 0.00 C ATOM 1054 OE1 GLU A 130 -2.110 -15.687 -2.967 1.00 0.00 O ATOM 1055 OE2 GLU A 130 -0.925 -14.802 -1.341 1.00 0.00 O ATOM 0 H GLU A 130 2.406 -14.047 -5.591 1.00 0.00 H new ATOM 0 HA GLU A 130 -0.131 -12.702 -5.923 1.00 0.00 H new ATOM 0 HB2 GLU A 130 0.085 -14.916 -4.832 1.00 0.00 H new ATOM 0 HB3 GLU A 130 1.117 -14.220 -3.598 1.00 0.00 H new ATOM 0 HG2 GLU A 130 -0.737 -12.779 -2.834 1.00 0.00 H new ATOM 0 HG3 GLU A 130 -1.772 -13.420 -4.094 1.00 0.00 H new ATOM 1062 N LEU A 131 0.152 -10.599 -4.668 1.00 0.00 N ATOM 1063 CA LEU A 131 0.322 -9.318 -3.991 1.00 0.00 C ATOM 1064 C LEU A 131 -0.735 -9.130 -2.908 1.00 0.00 C ATOM 1065 O LEU A 131 -1.928 -9.304 -3.154 1.00 0.00 O ATOM 1066 CB LEU A 131 0.245 -8.171 -5.000 1.00 0.00 C ATOM 1067 CG LEU A 131 1.225 -8.241 -6.172 1.00 0.00 C ATOM 1068 CD1 LEU A 131 0.632 -7.575 -7.404 1.00 0.00 C ATOM 1069 CD2 LEU A 131 2.550 -7.593 -5.798 1.00 0.00 C ATOM 0 H LEU A 131 -0.648 -10.639 -5.300 1.00 0.00 H new ATOM 0 HA LEU A 131 1.304 -9.312 -3.519 1.00 0.00 H new ATOM 0 HB2 LEU A 131 -0.768 -8.134 -5.401 1.00 0.00 H new ATOM 0 HB3 LEU A 131 0.412 -7.234 -4.468 1.00 0.00 H new ATOM 0 HG LEU A 131 1.409 -9.290 -6.405 1.00 0.00 H new ATOM 0 HD11 LEU A 131 1.343 -7.634 -8.228 1.00 0.00 H new ATOM 0 HD12 LEU A 131 -0.291 -8.083 -7.684 1.00 0.00 H new ATOM 0 HD13 LEU A 131 0.418 -6.529 -7.185 1.00 0.00 H new ATOM 0 HD21 LEU A 131 3.235 -7.652 -6.644 1.00 0.00 H new ATOM 0 HD22 LEU A 131 2.383 -6.548 -5.538 1.00 0.00 H new ATOM 0 HD23 LEU A 131 2.982 -8.115 -4.944 1.00 0.00 H new ATOM 1081 N SER A 132 -0.289 -8.771 -1.708 1.00 0.00 N ATOM 1082 CA SER A 132 -1.196 -8.560 -0.587 1.00 0.00 C ATOM 1083 C SER A 132 -1.367 -7.071 -0.298 1.00 0.00 C ATOM 1084 O SER A 132 -0.391 -6.353 -0.082 1.00 0.00 O ATOM 1085 CB SER A 132 -0.674 -9.276 0.661 1.00 0.00 C ATOM 1086 OG SER A 132 -1.142 -10.612 0.715 1.00 0.00 O ATOM 0 H SER A 132 0.695 -8.620 -1.488 1.00 0.00 H new ATOM 0 HA SER A 132 -2.168 -8.974 -0.856 1.00 0.00 H new ATOM 0 HB2 SER A 132 0.416 -9.269 0.659 1.00 0.00 H new ATOM 0 HB3 SER A 132 -0.995 -8.739 1.553 1.00 0.00 H new ATOM 0 HG SER A 132 -0.793 -11.048 1.520 1.00 0.00 H new ATOM 1092 N VAL A 133 -2.615 -6.615 -0.298 1.00 0.00 N ATOM 1093 CA VAL A 133 -2.916 -5.212 -0.036 1.00 0.00 C ATOM 1094 C VAL A 133 -3.974 -5.072 1.053 1.00 0.00 C ATOM 1095 O VAL A 133 -5.002 -5.747 1.024 1.00 0.00 O ATOM 1096 CB VAL A 133 -3.407 -4.496 -1.308 1.00 0.00 C ATOM 1097 CG1 VAL A 133 -3.538 -3.001 -1.062 1.00 0.00 C ATOM 1098 CG2 VAL A 133 -2.467 -4.773 -2.471 1.00 0.00 C ATOM 0 H VAL A 133 -3.434 -7.196 -0.476 1.00 0.00 H new ATOM 0 HA VAL A 133 -1.989 -4.746 0.299 1.00 0.00 H new ATOM 0 HB VAL A 133 -4.392 -4.885 -1.566 1.00 0.00 H new ATOM 0 HG11 VAL A 133 -3.886 -2.512 -1.972 1.00 0.00 H new ATOM 0 HG12 VAL A 133 -4.254 -2.826 -0.259 1.00 0.00 H new ATOM 0 HG13 VAL A 133 -2.568 -2.593 -0.779 1.00 0.00 H new ATOM 0 HG21 VAL A 133 -2.829 -4.259 -3.362 1.00 0.00 H new ATOM 0 HG22 VAL A 133 -1.468 -4.413 -2.225 1.00 0.00 H new ATOM 0 HG23 VAL A 133 -2.429 -5.846 -2.661 1.00 0.00 H new ATOM 1108 N GLN A 134 -3.714 -4.189 2.013 1.00 0.00 N ATOM 1109 CA GLN A 134 -4.644 -3.960 3.112 1.00 0.00 C ATOM 1110 C GLN A 134 -4.471 -2.559 3.688 1.00 0.00 C ATOM 1111 O GLN A 134 -3.430 -1.925 3.507 1.00 0.00 O ATOM 1112 CB GLN A 134 -4.436 -5.005 4.210 1.00 0.00 C ATOM 1113 CG GLN A 134 -3.028 -5.016 4.781 1.00 0.00 C ATOM 1114 CD GLN A 134 -2.755 -6.235 5.640 1.00 0.00 C ATOM 1115 OE1 GLN A 134 -3.047 -6.244 6.836 1.00 0.00 O ATOM 1116 NE2 GLN A 134 -2.193 -7.274 5.032 1.00 0.00 N ATOM 0 H GLN A 134 -2.867 -3.621 2.051 1.00 0.00 H new ATOM 0 HA GLN A 134 -5.658 -4.050 2.722 1.00 0.00 H new ATOM 0 HB2 GLN A 134 -5.145 -4.818 5.017 1.00 0.00 H new ATOM 0 HB3 GLN A 134 -4.664 -5.992 3.808 1.00 0.00 H new ATOM 0 HG2 GLN A 134 -2.308 -4.984 3.963 1.00 0.00 H new ATOM 0 HG3 GLN A 134 -2.874 -4.116 5.376 1.00 0.00 H new ATOM 0 HE21 GLN A 134 -1.968 -7.223 4.038 1.00 0.00 H new ATOM 0 HE22 GLN A 134 -1.987 -8.123 5.559 1.00 0.00 H new ATOM 1125 N LEU A 135 -5.497 -2.079 4.383 1.00 0.00 N ATOM 1126 CA LEU A 135 -5.459 -0.752 4.986 1.00 0.00 C ATOM 1127 C LEU A 135 -4.338 -0.654 6.016 1.00 0.00 C ATOM 1128 O LEU A 135 -4.085 -1.598 6.763 1.00 0.00 O ATOM 1129 CB LEU A 135 -6.801 -0.430 5.645 1.00 0.00 C ATOM 1130 CG LEU A 135 -7.922 0.010 4.703 1.00 0.00 C ATOM 1131 CD1 LEU A 135 -9.277 -0.143 5.377 1.00 0.00 C ATOM 1132 CD2 LEU A 135 -7.708 1.449 4.255 1.00 0.00 C ATOM 0 H LEU A 135 -6.365 -2.590 4.543 1.00 0.00 H new ATOM 0 HA LEU A 135 -5.266 -0.027 4.195 1.00 0.00 H new ATOM 0 HB2 LEU A 135 -7.137 -1.312 6.190 1.00 0.00 H new ATOM 0 HB3 LEU A 135 -6.642 0.358 6.381 1.00 0.00 H new ATOM 0 HG LEU A 135 -7.902 -0.631 3.822 1.00 0.00 H new ATOM 0 HD11 LEU A 135 -10.062 0.175 4.691 1.00 0.00 H new ATOM 0 HD12 LEU A 135 -9.433 -1.187 5.648 1.00 0.00 H new ATOM 0 HD13 LEU A 135 -9.308 0.473 6.275 1.00 0.00 H new ATOM 0 HD21 LEU A 135 -8.515 1.745 3.585 1.00 0.00 H new ATOM 0 HD22 LEU A 135 -7.700 2.104 5.126 1.00 0.00 H new ATOM 0 HD23 LEU A 135 -6.755 1.529 3.732 1.00 0.00 H new ATOM 1144 N GLN A 136 -3.672 0.496 6.051 1.00 0.00 N ATOM 1145 CA GLN A 136 -2.579 0.717 6.990 1.00 0.00 C ATOM 1146 C GLN A 136 -3.082 0.675 8.430 1.00 0.00 C ATOM 1147 O GLN A 136 -4.232 1.004 8.721 1.00 0.00 O ATOM 1148 CB GLN A 136 -1.904 2.062 6.713 1.00 0.00 C ATOM 1149 CG GLN A 136 -2.705 3.257 7.205 1.00 0.00 C ATOM 1150 CD GLN A 136 -1.858 4.506 7.351 1.00 0.00 C ATOM 1151 OE1 GLN A 136 -0.928 4.734 6.577 1.00 0.00 O ATOM 1152 NE2 GLN A 136 -2.177 5.325 8.347 1.00 0.00 N ATOM 0 H GLN A 136 -3.870 1.288 5.440 1.00 0.00 H new ATOM 0 HA GLN A 136 -1.850 -0.082 6.855 1.00 0.00 H new ATOM 0 HB2 GLN A 136 -0.923 2.072 7.189 1.00 0.00 H new ATOM 0 HB3 GLN A 136 -1.739 2.162 5.640 1.00 0.00 H new ATOM 0 HG2 GLN A 136 -3.520 3.455 6.509 1.00 0.00 H new ATOM 0 HG3 GLN A 136 -3.158 3.015 8.166 1.00 0.00 H new ATOM 0 HE21 GLN A 136 -2.956 5.097 8.965 1.00 0.00 H new ATOM 0 HE22 GLN A 136 -1.643 6.182 8.494 1.00 0.00 H new