USER MOD reduce.3.24.130724 H: found=0, std=0, add=669, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 670 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 25 GLN : amide:sc= -0.702 K(o=-2.3,f=-3.5!) USER MOD Set 1.2: A 37 MET CE :methyl 162:sc= -1.64 (180deg=-0.269) USER MOD Single : A 7 ASN : amide:sc= -3.18 K(o=-3.2,f=-1.9) USER MOD Single : A 8 LYS NZ :NH3+ -149:sc= -0.0168 (180deg=-0.548) USER MOD Single : A 12 SER OG : rot 78:sc= 0.0308 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 23 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 24 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 28 ASN : amide:sc= -1.18 K(o=-1.2,f=-3.3!) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot 108:sc= 1.11 USER MOD Single : A 45 MET CE :methyl -147:sc= -3.94! (180deg=-5.1!) USER MOD Single : A 46 ASN : amide:sc= -1.79 K(o=-1.8,f=-4.5!) USER MOD Single : A 48 TYR OH : rot 165:sc= 0 USER MOD Single : A 50 ASN : amide:sc= 0 X(o=0,f=-0.14) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 TYR OH : rot 138:sc= -2.96! USER MOD Single : A 54 GLN : amide:sc= -0.307 K(o=-0.31,f=-0.9) USER MOD Single : A 55 GLN : amide:sc= 0.0469 K(o=0.047,f=-1.5!) USER MOD Single : A 61 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 GLN : amide:sc= 0 K(o=0,f=-0.62) USER MOD Single : A 72 GLN : amide:sc= -0.0277 X(o=-0.028,f=0) USER MOD Single : A 75 ASN : amide:sc= -5.9! C(o=-5.9!,f=-11!) USER MOD Single : A 76 THR OG1 : rot -72:sc= 0.8 USER MOD Single : A 79 ASN : amide:sc= 0 X(o=0,f=0.28) USER MOD Single : A 84 LYS NZ :NH3+ -111:sc= 0 (180deg=-0.42) USER MOD Single : A 85 TYR OH : rot -144:sc= -3.17! USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 63 N ALA A 6 -6.518 20.172 -4.823 1.00 0.00 N ATOM 64 CA ALA A 6 -5.205 20.120 -4.197 1.00 0.00 C ATOM 65 C ALA A 6 -5.083 18.865 -3.344 1.00 0.00 C ATOM 66 O ALA A 6 -4.085 18.144 -3.409 1.00 0.00 O ATOM 67 CB ALA A 6 -4.965 21.364 -3.354 1.00 0.00 C ATOM 0 HA ALA A 6 -4.446 20.087 -4.979 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -3.978 21.307 -2.894 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -5.019 22.249 -3.988 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -5.725 21.428 -2.575 1.00 0.00 H new ATOM 73 N ASN A 7 -6.123 18.597 -2.560 1.00 0.00 N ATOM 74 CA ASN A 7 -6.147 17.418 -1.710 1.00 0.00 C ATOM 75 C ASN A 7 -6.080 16.161 -2.568 1.00 0.00 C ATOM 76 O ASN A 7 -5.194 15.324 -2.389 1.00 0.00 O ATOM 77 CB ASN A 7 -7.406 17.408 -0.841 1.00 0.00 C ATOM 78 CG ASN A 7 -7.123 17.847 0.584 1.00 0.00 C ATOM 79 OD1 ASN A 7 -6.616 17.072 1.395 1.00 0.00 O ATOM 80 ND2 ASN A 7 -7.453 19.096 0.898 1.00 0.00 N ATOM 0 H ASN A 7 -6.957 19.181 -2.498 1.00 0.00 H new ATOM 0 HA ASN A 7 -5.280 17.441 -1.050 1.00 0.00 H new ATOM 0 HB2 ASN A 7 -8.154 18.068 -1.281 1.00 0.00 H new ATOM 0 HB3 ASN A 7 -7.831 16.405 -0.832 1.00 0.00 H new ATOM 0 HD21 ASN A 7 -7.288 19.445 1.842 1.00 0.00 H new ATOM 0 HD22 ASN A 7 -7.871 19.705 0.195 1.00 0.00 H new ATOM 87 N LYS A 8 -7.014 16.035 -3.513 1.00 0.00 N ATOM 88 CA LYS A 8 -7.043 14.881 -4.401 1.00 0.00 C ATOM 89 C LYS A 8 -5.709 14.735 -5.119 1.00 0.00 C ATOM 90 O LYS A 8 -5.267 13.624 -5.409 1.00 0.00 O ATOM 91 CB LYS A 8 -8.175 15.024 -5.420 1.00 0.00 C ATOM 92 CG LYS A 8 -8.340 13.809 -6.321 1.00 0.00 C ATOM 93 CD LYS A 8 -9.312 14.089 -7.456 1.00 0.00 C ATOM 94 CE LYS A 8 -8.644 14.858 -8.585 1.00 0.00 C ATOM 95 NZ LYS A 8 -8.967 16.311 -8.532 1.00 0.00 N ATOM 0 H LYS A 8 -7.755 16.716 -3.679 1.00 0.00 H new ATOM 0 HA LYS A 8 -7.220 13.987 -3.803 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -9.110 15.202 -4.889 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -7.987 15.902 -6.038 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -7.371 13.524 -6.731 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -8.698 12.964 -5.733 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -9.706 13.148 -7.839 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -10.160 14.660 -7.078 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -7.564 14.724 -8.527 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -8.965 14.449 -9.543 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -8.976 16.700 -9.496 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -9.902 16.443 -8.097 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -8.249 16.806 -7.965 1.00 0.00 H new ATOM 109 N ASP A 9 -5.059 15.865 -5.386 1.00 0.00 N ATOM 110 CA ASP A 9 -3.765 15.851 -6.049 1.00 0.00 C ATOM 111 C ASP A 9 -2.754 15.126 -5.176 1.00 0.00 C ATOM 112 O ASP A 9 -1.986 14.293 -5.658 1.00 0.00 O ATOM 113 CB ASP A 9 -3.291 17.275 -6.346 1.00 0.00 C ATOM 114 CG ASP A 9 -3.572 17.693 -7.776 1.00 0.00 C ATOM 115 OD1 ASP A 9 -4.722 18.082 -8.066 1.00 0.00 O ATOM 116 OD2 ASP A 9 -2.641 17.630 -8.607 1.00 0.00 O ATOM 0 H ASP A 9 -5.407 16.795 -5.154 1.00 0.00 H new ATOM 0 HA ASP A 9 -3.862 15.325 -6.999 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -3.784 17.968 -5.664 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -2.220 17.346 -6.154 1.00 0.00 H new ATOM 121 N LEU A 10 -2.765 15.438 -3.883 1.00 0.00 N ATOM 122 CA LEU A 10 -1.855 14.803 -2.940 1.00 0.00 C ATOM 123 C LEU A 10 -2.095 13.300 -2.928 1.00 0.00 C ATOM 124 O LEU A 10 -1.150 12.506 -2.991 1.00 0.00 O ATOM 125 CB LEU A 10 -2.072 15.382 -1.537 1.00 0.00 C ATOM 126 CG LEU A 10 -0.841 15.411 -0.627 1.00 0.00 C ATOM 127 CD1 LEU A 10 -0.146 14.062 -0.615 1.00 0.00 C ATOM 128 CD2 LEU A 10 0.124 16.503 -1.058 1.00 0.00 C ATOM 0 H LEU A 10 -3.393 16.125 -3.467 1.00 0.00 H new ATOM 0 HA LEU A 10 -0.827 14.996 -3.246 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -2.448 16.400 -1.639 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -2.852 14.802 -1.043 1.00 0.00 H new ATOM 0 HG LEU A 10 -1.177 15.631 0.386 1.00 0.00 H new ATOM 0 HD11 LEU A 10 0.725 14.107 0.038 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -0.835 13.301 -0.249 1.00 0.00 H new ATOM 0 HD13 LEU A 10 0.172 13.807 -1.626 1.00 0.00 H new ATOM 0 HD21 LEU A 10 0.991 16.504 -0.397 1.00 0.00 H new ATOM 0 HD22 LEU A 10 0.449 16.318 -2.082 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -0.374 17.471 -1.005 1.00 0.00 H new ATOM 140 N ILE A 11 -3.366 12.903 -2.875 1.00 0.00 N ATOM 141 CA ILE A 11 -3.699 11.488 -2.886 1.00 0.00 C ATOM 142 C ILE A 11 -3.173 10.850 -4.168 1.00 0.00 C ATOM 143 O ILE A 11 -2.441 9.861 -4.118 1.00 0.00 O ATOM 144 CB ILE A 11 -5.224 11.258 -2.768 1.00 0.00 C ATOM 145 CG1 ILE A 11 -5.704 11.604 -1.356 1.00 0.00 C ATOM 146 CG2 ILE A 11 -5.584 9.818 -3.109 1.00 0.00 C ATOM 147 CD1 ILE A 11 -6.106 13.052 -1.189 1.00 0.00 C ATOM 0 H ILE A 11 -4.167 13.533 -2.825 1.00 0.00 H new ATOM 0 HA ILE A 11 -3.227 11.023 -2.020 1.00 0.00 H new ATOM 0 HB ILE A 11 -5.724 11.913 -3.482 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -6.553 10.969 -1.105 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -4.911 11.372 -0.645 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -6.662 9.681 -3.019 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -5.275 9.598 -4.131 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -5.074 9.143 -2.422 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -6.435 13.222 -0.164 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -5.253 13.694 -1.408 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -6.921 13.285 -1.875 1.00 0.00 H new ATOM 159 N SER A 12 -3.547 11.414 -5.319 1.00 0.00 N ATOM 160 CA SER A 12 -3.103 10.882 -6.602 1.00 0.00 C ATOM 161 C SER A 12 -1.591 10.701 -6.614 1.00 0.00 C ATOM 162 O SER A 12 -1.080 9.719 -7.140 1.00 0.00 O ATOM 163 CB SER A 12 -3.527 11.810 -7.742 1.00 0.00 C ATOM 164 OG SER A 12 -4.927 11.746 -7.959 1.00 0.00 O ATOM 0 H SER A 12 -4.152 12.233 -5.385 1.00 0.00 H new ATOM 0 HA SER A 12 -3.572 9.909 -6.747 1.00 0.00 H new ATOM 0 HB2 SER A 12 -3.239 12.835 -7.507 1.00 0.00 H new ATOM 0 HB3 SER A 12 -3.001 11.532 -8.656 1.00 0.00 H new ATOM 0 HG SER A 12 -5.389 12.273 -7.274 1.00 0.00 H new ATOM 170 N ALA A 13 -0.881 11.651 -6.022 1.00 0.00 N ATOM 171 CA ALA A 13 0.572 11.568 -5.965 1.00 0.00 C ATOM 172 C ALA A 13 0.986 10.297 -5.240 1.00 0.00 C ATOM 173 O ALA A 13 1.839 9.545 -5.713 1.00 0.00 O ATOM 174 CB ALA A 13 1.161 12.800 -5.294 1.00 0.00 C ATOM 0 H ALA A 13 -1.281 12.478 -5.579 1.00 0.00 H new ATOM 0 HA ALA A 13 0.963 11.532 -6.982 1.00 0.00 H new ATOM 0 HB1 ALA A 13 2.247 12.714 -5.264 1.00 0.00 H new ATOM 0 HB2 ALA A 13 0.883 13.690 -5.859 1.00 0.00 H new ATOM 0 HB3 ALA A 13 0.775 12.880 -4.278 1.00 0.00 H new ATOM 180 N GLY A 14 0.336 10.039 -4.114 1.00 0.00 N ATOM 181 CA GLY A 14 0.610 8.827 -3.367 1.00 0.00 C ATOM 182 C GLY A 14 0.198 7.603 -4.158 1.00 0.00 C ATOM 183 O GLY A 14 0.766 6.522 -4.005 1.00 0.00 O ATOM 0 H GLY A 14 -0.375 10.645 -3.705 1.00 0.00 H new ATOM 0 HA2 GLY A 14 1.673 8.772 -3.131 1.00 0.00 H new ATOM 0 HA3 GLY A 14 0.074 8.850 -2.418 1.00 0.00 H new ATOM 187 N LEU A 15 -0.797 7.798 -5.016 1.00 0.00 N ATOM 188 CA LEU A 15 -1.303 6.731 -5.860 1.00 0.00 C ATOM 189 C LEU A 15 -0.287 6.379 -6.935 1.00 0.00 C ATOM 190 O LEU A 15 0.182 5.247 -7.006 1.00 0.00 O ATOM 191 CB LEU A 15 -2.633 7.138 -6.492 1.00 0.00 C ATOM 192 CG LEU A 15 -3.853 6.990 -5.582 1.00 0.00 C ATOM 193 CD1 LEU A 15 -5.057 7.700 -6.180 1.00 0.00 C ATOM 194 CD2 LEU A 15 -4.162 5.520 -5.343 1.00 0.00 C ATOM 0 H LEU A 15 -1.270 8.693 -5.143 1.00 0.00 H new ATOM 0 HA LEU A 15 -1.471 5.849 -5.242 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -2.562 8.177 -6.814 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -2.791 6.537 -7.388 1.00 0.00 H new ATOM 0 HG LEU A 15 -3.625 7.455 -4.623 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -5.915 7.583 -5.517 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -4.832 8.760 -6.299 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -5.289 7.267 -7.153 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -5.033 5.432 -4.693 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -4.369 5.032 -6.296 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -3.306 5.041 -4.868 1.00 0.00 H new ATOM 206 N LYS A 16 0.043 7.348 -7.778 1.00 0.00 N ATOM 207 CA LYS A 16 1.000 7.126 -8.856 1.00 0.00 C ATOM 208 C LYS A 16 2.322 6.596 -8.313 1.00 0.00 C ATOM 209 O LYS A 16 3.010 5.820 -8.976 1.00 0.00 O ATOM 210 CB LYS A 16 1.233 8.423 -9.635 1.00 0.00 C ATOM 211 CG LYS A 16 1.407 8.214 -11.130 1.00 0.00 C ATOM 212 CD LYS A 16 0.243 7.436 -11.723 1.00 0.00 C ATOM 213 CE LYS A 16 -0.096 7.915 -13.126 1.00 0.00 C ATOM 214 NZ LYS A 16 -1.410 8.613 -13.172 1.00 0.00 N ATOM 0 H LYS A 16 -0.336 8.294 -7.737 1.00 0.00 H new ATOM 0 HA LYS A 16 0.583 6.377 -9.530 1.00 0.00 H new ATOM 0 HB2 LYS A 16 0.391 9.094 -9.466 1.00 0.00 H new ATOM 0 HB3 LYS A 16 2.120 8.919 -9.241 1.00 0.00 H new ATOM 0 HG2 LYS A 16 1.490 9.181 -11.626 1.00 0.00 H new ATOM 0 HG3 LYS A 16 2.337 7.678 -11.318 1.00 0.00 H new ATOM 0 HD2 LYS A 16 0.491 6.375 -11.751 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -0.631 7.543 -11.081 1.00 0.00 H new ATOM 0 HE2 LYS A 16 0.685 8.588 -13.478 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -0.113 7.063 -13.806 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -1.604 8.924 -14.145 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -2.160 7.963 -12.860 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -1.386 9.441 -12.543 1.00 0.00 H new ATOM 228 N GLU A 17 2.669 7.017 -7.104 1.00 0.00 N ATOM 229 CA GLU A 17 3.909 6.582 -6.474 1.00 0.00 C ATOM 230 C GLU A 17 3.837 5.112 -6.076 1.00 0.00 C ATOM 231 O GLU A 17 4.753 4.337 -6.351 1.00 0.00 O ATOM 232 CB GLU A 17 4.209 7.442 -5.245 1.00 0.00 C ATOM 233 CG GLU A 17 4.804 8.799 -5.581 1.00 0.00 C ATOM 234 CD GLU A 17 6.154 8.691 -6.260 1.00 0.00 C ATOM 235 OE1 GLU A 17 7.171 8.574 -5.544 1.00 0.00 O ATOM 236 OE2 GLU A 17 6.197 8.725 -7.508 1.00 0.00 O ATOM 0 H GLU A 17 2.111 7.658 -6.541 1.00 0.00 H new ATOM 0 HA GLU A 17 4.714 6.701 -7.199 1.00 0.00 H new ATOM 0 HB2 GLU A 17 3.288 7.588 -4.681 1.00 0.00 H new ATOM 0 HB3 GLU A 17 4.899 6.903 -4.595 1.00 0.00 H new ATOM 0 HG2 GLU A 17 4.117 9.342 -6.230 1.00 0.00 H new ATOM 0 HG3 GLU A 17 4.907 9.383 -4.666 1.00 0.00 H new ATOM 243 N PHE A 18 2.745 4.736 -5.421 1.00 0.00 N ATOM 244 CA PHE A 18 2.559 3.357 -4.979 1.00 0.00 C ATOM 245 C PHE A 18 2.255 2.434 -6.155 1.00 0.00 C ATOM 246 O PHE A 18 2.620 1.259 -6.143 1.00 0.00 O ATOM 247 CB PHE A 18 1.436 3.279 -3.941 1.00 0.00 C ATOM 248 CG PHE A 18 1.429 2.004 -3.137 1.00 0.00 C ATOM 249 CD1 PHE A 18 2.614 1.346 -2.832 1.00 0.00 C ATOM 250 CD2 PHE A 18 0.235 1.465 -2.688 1.00 0.00 C ATOM 251 CE1 PHE A 18 2.602 0.177 -2.094 1.00 0.00 C ATOM 252 CE2 PHE A 18 0.219 0.296 -1.949 1.00 0.00 C ATOM 253 CZ PHE A 18 1.404 -0.348 -1.652 1.00 0.00 C ATOM 0 H PHE A 18 1.977 5.363 -5.184 1.00 0.00 H new ATOM 0 HA PHE A 18 3.490 3.023 -4.521 1.00 0.00 H new ATOM 0 HB2 PHE A 18 1.526 4.125 -3.260 1.00 0.00 H new ATOM 0 HB3 PHE A 18 0.478 3.380 -4.450 1.00 0.00 H new ATOM 0 HD1 PHE A 18 3.554 1.752 -3.175 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -0.695 1.964 -2.918 1.00 0.00 H new ATOM 0 HE1 PHE A 18 3.530 -0.326 -1.863 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -0.719 -0.113 -1.605 1.00 0.00 H new ATOM 0 HZ PHE A 18 1.394 -1.261 -1.075 1.00 0.00 H new ATOM 263 N SER A 19 1.589 2.972 -7.171 1.00 0.00 N ATOM 264 CA SER A 19 1.241 2.194 -8.353 1.00 0.00 C ATOM 265 C SER A 19 2.492 1.827 -9.140 1.00 0.00 C ATOM 266 O SER A 19 2.688 0.669 -9.512 1.00 0.00 O ATOM 267 CB SER A 19 0.275 2.980 -9.241 1.00 0.00 C ATOM 268 OG SER A 19 -0.636 2.114 -9.895 1.00 0.00 O ATOM 0 H SER A 19 1.280 3.944 -7.199 1.00 0.00 H new ATOM 0 HA SER A 19 0.753 1.275 -8.027 1.00 0.00 H new ATOM 0 HB2 SER A 19 -0.275 3.701 -8.636 1.00 0.00 H new ATOM 0 HB3 SER A 19 0.838 3.548 -9.982 1.00 0.00 H new ATOM 0 HG SER A 19 -1.244 2.641 -10.455 1.00 0.00 H new ATOM 274 N VAL A 20 3.338 2.820 -9.387 1.00 0.00 N ATOM 275 CA VAL A 20 4.574 2.604 -10.127 1.00 0.00 C ATOM 276 C VAL A 20 5.570 1.801 -9.297 1.00 0.00 C ATOM 277 O VAL A 20 6.355 1.022 -9.836 1.00 0.00 O ATOM 278 CB VAL A 20 5.219 3.940 -10.541 1.00 0.00 C ATOM 279 CG1 VAL A 20 6.437 3.698 -11.421 1.00 0.00 C ATOM 280 CG2 VAL A 20 4.207 4.825 -11.254 1.00 0.00 C ATOM 0 H VAL A 20 3.190 3.783 -9.085 1.00 0.00 H new ATOM 0 HA VAL A 20 4.318 2.043 -11.026 1.00 0.00 H new ATOM 0 HB VAL A 20 5.548 4.456 -9.639 1.00 0.00 H new ATOM 0 HG11 VAL A 20 6.878 4.654 -11.703 1.00 0.00 H new ATOM 0 HG12 VAL A 20 7.171 3.107 -10.872 1.00 0.00 H new ATOM 0 HG13 VAL A 20 6.136 3.159 -12.319 1.00 0.00 H new ATOM 0 HG21 VAL A 20 4.682 5.764 -11.539 1.00 0.00 H new ATOM 0 HG22 VAL A 20 3.844 4.316 -12.147 1.00 0.00 H new ATOM 0 HG23 VAL A 20 3.369 5.029 -10.588 1.00 0.00 H new ATOM 290 N LEU A 21 5.533 2.001 -7.983 1.00 0.00 N ATOM 291 CA LEU A 21 6.434 1.296 -7.077 1.00 0.00 C ATOM 292 C LEU A 21 6.045 -0.175 -6.949 1.00 0.00 C ATOM 293 O LEU A 21 6.907 -1.051 -6.905 1.00 0.00 O ATOM 294 CB LEU A 21 6.423 1.961 -5.700 1.00 0.00 C ATOM 295 CG LEU A 21 7.296 1.281 -4.644 1.00 0.00 C ATOM 296 CD1 LEU A 21 8.744 1.725 -4.782 1.00 0.00 C ATOM 297 CD2 LEU A 21 6.774 1.584 -3.247 1.00 0.00 C ATOM 0 H LEU A 21 4.890 2.645 -7.522 1.00 0.00 H new ATOM 0 HA LEU A 21 7.440 1.348 -7.493 1.00 0.00 H new ATOM 0 HB2 LEU A 21 6.752 2.994 -5.810 1.00 0.00 H new ATOM 0 HB3 LEU A 21 5.396 1.990 -5.336 1.00 0.00 H new ATOM 0 HG LEU A 21 7.252 0.203 -4.802 1.00 0.00 H new ATOM 0 HD11 LEU A 21 9.350 1.231 -4.023 1.00 0.00 H new ATOM 0 HD12 LEU A 21 9.114 1.458 -5.772 1.00 0.00 H new ATOM 0 HD13 LEU A 21 8.807 2.805 -4.651 1.00 0.00 H new ATOM 0 HD21 LEU A 21 7.407 1.093 -2.508 1.00 0.00 H new ATOM 0 HD22 LEU A 21 6.789 2.661 -3.079 1.00 0.00 H new ATOM 0 HD23 LEU A 21 5.752 1.216 -3.153 1.00 0.00 H new ATOM 309 N LEU A 22 4.744 -0.435 -6.884 1.00 0.00 N ATOM 310 CA LEU A 22 4.239 -1.800 -6.753 1.00 0.00 C ATOM 311 C LEU A 22 4.429 -2.586 -8.050 1.00 0.00 C ATOM 312 O LEU A 22 4.936 -3.707 -8.039 1.00 0.00 O ATOM 313 CB LEU A 22 2.755 -1.779 -6.381 1.00 0.00 C ATOM 314 CG LEU A 22 2.443 -1.252 -4.980 1.00 0.00 C ATOM 315 CD1 LEU A 22 1.012 -0.737 -4.908 1.00 0.00 C ATOM 316 CD2 LEU A 22 2.674 -2.338 -3.943 1.00 0.00 C ATOM 0 H LEU A 22 4.018 0.281 -6.920 1.00 0.00 H new ATOM 0 HA LEU A 22 4.807 -2.292 -5.964 1.00 0.00 H new ATOM 0 HB2 LEU A 22 2.223 -1.167 -7.109 1.00 0.00 H new ATOM 0 HB3 LEU A 22 2.361 -2.792 -6.467 1.00 0.00 H new ATOM 0 HG LEU A 22 3.115 -0.421 -4.765 1.00 0.00 H new ATOM 0 HD11 LEU A 22 0.809 -0.366 -3.903 1.00 0.00 H new ATOM 0 HD12 LEU A 22 0.880 0.072 -5.627 1.00 0.00 H new ATOM 0 HD13 LEU A 22 0.322 -1.547 -5.142 1.00 0.00 H new ATOM 0 HD21 LEU A 22 2.448 -1.948 -2.951 1.00 0.00 H new ATOM 0 HD22 LEU A 22 2.025 -3.188 -4.155 1.00 0.00 H new ATOM 0 HD23 LEU A 22 3.715 -2.659 -3.978 1.00 0.00 H new ATOM 328 N ASN A 23 4.010 -1.993 -9.163 1.00 0.00 N ATOM 329 CA ASN A 23 4.122 -2.639 -10.467 1.00 0.00 C ATOM 330 C ASN A 23 5.574 -2.983 -10.795 1.00 0.00 C ATOM 331 O ASN A 23 5.855 -4.032 -11.375 1.00 0.00 O ATOM 332 CB ASN A 23 3.538 -1.738 -11.558 1.00 0.00 C ATOM 333 CG ASN A 23 2.264 -2.305 -12.156 1.00 0.00 C ATOM 334 OD1 ASN A 23 2.306 -3.201 -12.999 1.00 0.00 O ATOM 335 ND2 ASN A 23 1.123 -1.783 -11.722 1.00 0.00 N ATOM 0 H ASN A 23 3.589 -1.064 -9.189 1.00 0.00 H new ATOM 0 HA ASN A 23 3.554 -3.569 -10.428 1.00 0.00 H new ATOM 0 HB2 ASN A 23 3.333 -0.752 -11.140 1.00 0.00 H new ATOM 0 HB3 ASN A 23 4.277 -1.602 -12.347 1.00 0.00 H new ATOM 0 HD21 ASN A 23 0.234 -2.124 -12.089 1.00 0.00 H new ATOM 0 HD22 ASN A 23 1.135 -1.041 -11.022 1.00 0.00 H new ATOM 342 N GLN A 24 6.492 -2.096 -10.425 1.00 0.00 N ATOM 343 CA GLN A 24 7.912 -2.309 -10.689 1.00 0.00 C ATOM 344 C GLN A 24 8.449 -3.523 -9.930 1.00 0.00 C ATOM 345 O GLN A 24 9.541 -4.009 -10.222 1.00 0.00 O ATOM 346 CB GLN A 24 8.716 -1.061 -10.311 1.00 0.00 C ATOM 347 CG GLN A 24 9.292 -0.322 -11.509 1.00 0.00 C ATOM 348 CD GLN A 24 10.805 -0.227 -11.467 1.00 0.00 C ATOM 349 OE1 GLN A 24 11.504 -0.931 -12.197 1.00 0.00 O ATOM 350 NE2 GLN A 24 11.321 0.647 -10.610 1.00 0.00 N ATOM 0 H GLN A 24 6.279 -1.223 -9.942 1.00 0.00 H new ATOM 0 HA GLN A 24 8.024 -2.501 -11.756 1.00 0.00 H new ATOM 0 HB2 GLN A 24 8.074 -0.382 -9.750 1.00 0.00 H new ATOM 0 HB3 GLN A 24 9.531 -1.351 -9.647 1.00 0.00 H new ATOM 0 HG2 GLN A 24 8.989 -0.831 -12.424 1.00 0.00 H new ATOM 0 HG3 GLN A 24 8.870 0.682 -11.548 1.00 0.00 H new ATOM 0 HE21 GLN A 24 10.705 1.211 -10.024 1.00 0.00 H new ATOM 0 HE22 GLN A 24 12.333 0.755 -10.538 1.00 0.00 H new ATOM 359 N GLN A 25 7.684 -4.009 -8.955 1.00 0.00 N ATOM 360 CA GLN A 25 8.102 -5.161 -8.162 1.00 0.00 C ATOM 361 C GLN A 25 7.964 -6.458 -8.954 1.00 0.00 C ATOM 362 O GLN A 25 6.888 -6.778 -9.461 1.00 0.00 O ATOM 363 CB GLN A 25 7.282 -5.248 -6.876 1.00 0.00 C ATOM 364 CG GLN A 25 7.500 -4.073 -5.938 1.00 0.00 C ATOM 365 CD GLN A 25 8.855 -4.111 -5.262 1.00 0.00 C ATOM 366 OE1 GLN A 25 9.893 -3.987 -5.914 1.00 0.00 O ATOM 367 NE2 GLN A 25 8.853 -4.284 -3.947 1.00 0.00 N ATOM 0 H GLN A 25 6.775 -3.624 -8.696 1.00 0.00 H new ATOM 0 HA GLN A 25 9.153 -5.026 -7.908 1.00 0.00 H new ATOM 0 HB2 GLN A 25 6.224 -5.307 -7.132 1.00 0.00 H new ATOM 0 HB3 GLN A 25 7.535 -6.171 -6.355 1.00 0.00 H new ATOM 0 HG2 GLN A 25 7.403 -3.143 -6.498 1.00 0.00 H new ATOM 0 HG3 GLN A 25 6.719 -4.070 -5.178 1.00 0.00 H new ATOM 0 HE21 GLN A 25 7.969 -4.382 -3.447 1.00 0.00 H new ATOM 0 HE22 GLN A 25 9.735 -4.319 -3.436 1.00 0.00 H new ATOM 376 N VAL A 26 9.060 -7.203 -9.046 1.00 0.00 N ATOM 377 CA VAL A 26 9.070 -8.472 -9.764 1.00 0.00 C ATOM 378 C VAL A 26 9.507 -9.608 -8.843 1.00 0.00 C ATOM 379 O VAL A 26 10.282 -9.395 -7.909 1.00 0.00 O ATOM 380 CB VAL A 26 10.007 -8.419 -10.986 1.00 0.00 C ATOM 381 CG1 VAL A 26 11.435 -8.118 -10.556 1.00 0.00 C ATOM 382 CG2 VAL A 26 9.941 -9.722 -11.771 1.00 0.00 C ATOM 0 H VAL A 26 9.956 -6.949 -8.631 1.00 0.00 H new ATOM 0 HA VAL A 26 8.053 -8.656 -10.111 1.00 0.00 H new ATOM 0 HB VAL A 26 9.673 -7.613 -11.639 1.00 0.00 H new ATOM 0 HG11 VAL A 26 12.080 -8.085 -11.434 1.00 0.00 H new ATOM 0 HG12 VAL A 26 11.466 -7.155 -10.046 1.00 0.00 H new ATOM 0 HG13 VAL A 26 11.783 -8.898 -9.879 1.00 0.00 H new ATOM 0 HG21 VAL A 26 10.610 -9.664 -12.630 1.00 0.00 H new ATOM 0 HG22 VAL A 26 10.245 -10.549 -11.129 1.00 0.00 H new ATOM 0 HG23 VAL A 26 8.921 -9.887 -12.117 1.00 0.00 H new ATOM 392 N PHE A 27 9.011 -10.812 -9.105 1.00 0.00 N ATOM 393 CA PHE A 27 9.360 -11.970 -8.289 1.00 0.00 C ATOM 394 C PHE A 27 9.732 -13.168 -9.155 1.00 0.00 C ATOM 395 O PHE A 27 8.862 -13.847 -9.701 1.00 0.00 O ATOM 396 CB PHE A 27 8.202 -12.346 -7.360 1.00 0.00 C ATOM 397 CG PHE A 27 7.422 -11.164 -6.855 1.00 0.00 C ATOM 398 CD1 PHE A 27 8.046 -10.166 -6.124 1.00 0.00 C ATOM 399 CD2 PHE A 27 6.065 -11.052 -7.113 1.00 0.00 C ATOM 400 CE1 PHE A 27 7.332 -9.079 -5.660 1.00 0.00 C ATOM 401 CE2 PHE A 27 5.345 -9.968 -6.650 1.00 0.00 C ATOM 402 CZ PHE A 27 5.979 -8.980 -5.924 1.00 0.00 C ATOM 0 H PHE A 27 8.369 -11.012 -9.872 1.00 0.00 H new ATOM 0 HA PHE A 27 10.227 -11.696 -7.688 1.00 0.00 H new ATOM 0 HB2 PHE A 27 7.526 -13.016 -7.890 1.00 0.00 H new ATOM 0 HB3 PHE A 27 8.597 -12.900 -6.508 1.00 0.00 H new ATOM 0 HD1 PHE A 27 9.103 -10.239 -5.915 1.00 0.00 H new ATOM 0 HD2 PHE A 27 5.565 -11.821 -7.683 1.00 0.00 H new ATOM 0 HE1 PHE A 27 7.830 -8.307 -5.092 1.00 0.00 H new ATOM 0 HE2 PHE A 27 4.287 -9.894 -6.856 1.00 0.00 H new ATOM 0 HZ PHE A 27 5.418 -8.131 -5.563 1.00 0.00 H new ATOM 412 N ASN A 28 11.030 -13.433 -9.263 1.00 0.00 N ATOM 413 CA ASN A 28 11.517 -14.562 -10.047 1.00 0.00 C ATOM 414 C ASN A 28 12.023 -15.664 -9.119 1.00 0.00 C ATOM 415 O ASN A 28 11.271 -16.566 -8.753 1.00 0.00 O ATOM 416 CB ASN A 28 12.622 -14.122 -11.020 1.00 0.00 C ATOM 417 CG ASN A 28 13.418 -12.933 -10.515 1.00 0.00 C ATOM 418 OD1 ASN A 28 12.866 -11.862 -10.264 1.00 0.00 O ATOM 419 ND2 ASN A 28 14.725 -13.117 -10.364 1.00 0.00 N ATOM 0 H ASN A 28 11.763 -12.881 -8.818 1.00 0.00 H new ATOM 0 HA ASN A 28 10.689 -14.953 -10.639 1.00 0.00 H new ATOM 0 HB2 ASN A 28 13.299 -14.958 -11.194 1.00 0.00 H new ATOM 0 HB3 ASN A 28 12.173 -13.870 -11.981 1.00 0.00 H new ATOM 0 HD21 ASN A 28 15.312 -12.354 -10.028 1.00 0.00 H new ATOM 0 HD22 ASN A 28 15.141 -14.022 -10.584 1.00 0.00 H new ATOM 426 N ASP A 29 13.292 -15.585 -8.729 1.00 0.00 N ATOM 427 CA ASP A 29 13.896 -16.565 -7.834 1.00 0.00 C ATOM 428 C ASP A 29 14.008 -15.977 -6.438 1.00 0.00 C ATOM 429 O ASP A 29 13.733 -14.792 -6.253 1.00 0.00 O ATOM 430 CB ASP A 29 15.280 -16.947 -8.353 1.00 0.00 C ATOM 431 CG ASP A 29 15.299 -18.310 -9.014 1.00 0.00 C ATOM 432 OD1 ASP A 29 14.745 -18.439 -10.126 1.00 0.00 O ATOM 433 OD2 ASP A 29 15.868 -19.251 -8.420 1.00 0.00 O ATOM 0 H ASP A 29 13.927 -14.843 -9.023 1.00 0.00 H new ATOM 0 HA ASP A 29 13.271 -17.458 -7.796 1.00 0.00 H new ATOM 0 HB2 ASP A 29 15.616 -16.196 -9.068 1.00 0.00 H new ATOM 0 HB3 ASP A 29 15.989 -16.939 -7.525 1.00 0.00 H new ATOM 438 N PRO A 30 14.414 -16.783 -5.429 1.00 0.00 N ATOM 439 CA PRO A 30 14.563 -16.311 -4.060 1.00 0.00 C ATOM 440 C PRO A 30 14.866 -14.820 -4.021 1.00 0.00 C ATOM 441 O PRO A 30 15.612 -14.311 -4.856 1.00 0.00 O ATOM 442 CB PRO A 30 15.739 -17.142 -3.565 1.00 0.00 C ATOM 443 CG PRO A 30 15.611 -18.453 -4.288 1.00 0.00 C ATOM 444 CD PRO A 30 14.777 -18.206 -5.531 1.00 0.00 C ATOM 0 HA PRO A 30 13.666 -16.424 -3.451 1.00 0.00 H new ATOM 0 HB2 PRO A 30 16.689 -16.657 -3.790 1.00 0.00 H new ATOM 0 HB3 PRO A 30 15.699 -17.280 -2.485 1.00 0.00 H new ATOM 0 HG2 PRO A 30 16.594 -18.841 -4.556 1.00 0.00 H new ATOM 0 HG3 PRO A 30 15.137 -19.199 -3.650 1.00 0.00 H new ATOM 0 HD2 PRO A 30 15.342 -18.411 -6.440 1.00 0.00 H new ATOM 0 HD3 PRO A 30 13.894 -18.844 -5.554 1.00 0.00 H new ATOM 452 N LEU A 31 14.272 -14.125 -3.071 1.00 0.00 N ATOM 453 CA LEU A 31 14.460 -12.686 -2.959 1.00 0.00 C ATOM 454 C LEU A 31 14.390 -12.239 -1.487 1.00 0.00 C ATOM 455 O LEU A 31 14.898 -12.940 -0.613 1.00 0.00 O ATOM 456 CB LEU A 31 13.397 -12.008 -3.850 1.00 0.00 C ATOM 457 CG LEU A 31 13.923 -11.105 -4.981 1.00 0.00 C ATOM 458 CD1 LEU A 31 15.202 -11.655 -5.595 1.00 0.00 C ATOM 459 CD2 LEU A 31 12.866 -10.961 -6.063 1.00 0.00 C ATOM 0 H LEU A 31 13.656 -14.529 -2.366 1.00 0.00 H new ATOM 0 HA LEU A 31 15.450 -12.389 -3.305 1.00 0.00 H new ATOM 0 HB2 LEU A 31 12.778 -12.787 -4.295 1.00 0.00 H new ATOM 0 HB3 LEU A 31 12.747 -11.411 -3.211 1.00 0.00 H new ATOM 0 HG LEU A 31 14.148 -10.131 -4.546 1.00 0.00 H new ATOM 0 HD11 LEU A 31 15.540 -10.989 -6.389 1.00 0.00 H new ATOM 0 HD12 LEU A 31 15.973 -11.726 -4.828 1.00 0.00 H new ATOM 0 HD13 LEU A 31 15.010 -12.645 -6.009 1.00 0.00 H new ATOM 0 HD21 LEU A 31 13.245 -10.321 -6.859 1.00 0.00 H new ATOM 0 HD22 LEU A 31 12.626 -11.943 -6.470 1.00 0.00 H new ATOM 0 HD23 LEU A 31 11.967 -10.515 -5.637 1.00 0.00 H new ATOM 471 N VAL A 32 13.757 -11.098 -1.198 1.00 0.00 N ATOM 472 CA VAL A 32 13.639 -10.633 0.183 1.00 0.00 C ATOM 473 C VAL A 32 12.741 -11.580 0.978 1.00 0.00 C ATOM 474 O VAL A 32 11.937 -12.314 0.404 1.00 0.00 O ATOM 475 CB VAL A 32 13.118 -9.162 0.292 1.00 0.00 C ATOM 476 CG1 VAL A 32 12.614 -8.628 -1.043 1.00 0.00 C ATOM 477 CG2 VAL A 32 12.035 -9.021 1.357 1.00 0.00 C ATOM 0 H VAL A 32 13.325 -10.488 -1.892 1.00 0.00 H new ATOM 0 HA VAL A 32 14.643 -10.636 0.607 1.00 0.00 H new ATOM 0 HB VAL A 32 13.975 -8.559 0.592 1.00 0.00 H new ATOM 0 HG11 VAL A 32 12.263 -7.604 -0.916 1.00 0.00 H new ATOM 0 HG12 VAL A 32 13.425 -8.646 -1.772 1.00 0.00 H new ATOM 0 HG13 VAL A 32 11.793 -9.251 -1.398 1.00 0.00 H new ATOM 0 HG21 VAL A 32 11.700 -7.985 1.401 1.00 0.00 H new ATOM 0 HG22 VAL A 32 11.192 -9.664 1.106 1.00 0.00 H new ATOM 0 HG23 VAL A 32 12.438 -9.313 2.327 1.00 0.00 H new ATOM 487 N SER A 33 12.876 -11.556 2.298 1.00 0.00 N ATOM 488 CA SER A 33 12.065 -12.410 3.157 1.00 0.00 C ATOM 489 C SER A 33 10.661 -11.834 3.303 1.00 0.00 C ATOM 490 O SER A 33 10.456 -10.631 3.139 1.00 0.00 O ATOM 491 CB SER A 33 12.717 -12.556 4.535 1.00 0.00 C ATOM 492 OG SER A 33 13.107 -13.897 4.775 1.00 0.00 O ATOM 0 H SER A 33 13.536 -10.958 2.795 1.00 0.00 H new ATOM 0 HA SER A 33 11.996 -13.395 2.696 1.00 0.00 H new ATOM 0 HB2 SER A 33 13.588 -11.904 4.600 1.00 0.00 H new ATOM 0 HB3 SER A 33 12.019 -12.233 5.307 1.00 0.00 H new ATOM 0 HG SER A 33 13.522 -13.964 5.660 1.00 0.00 H new ATOM 498 N GLU A 34 9.698 -12.695 3.610 1.00 0.00 N ATOM 499 CA GLU A 34 8.316 -12.260 3.777 1.00 0.00 C ATOM 500 C GLU A 34 8.221 -11.186 4.852 1.00 0.00 C ATOM 501 O GLU A 34 7.586 -10.150 4.659 1.00 0.00 O ATOM 502 CB GLU A 34 7.422 -13.449 4.138 1.00 0.00 C ATOM 503 CG GLU A 34 6.683 -14.036 2.947 1.00 0.00 C ATOM 504 CD GLU A 34 5.738 -15.156 3.338 1.00 0.00 C ATOM 505 OE1 GLU A 34 4.956 -14.965 4.293 1.00 0.00 O ATOM 506 OE2 GLU A 34 5.780 -16.222 2.690 1.00 0.00 O ATOM 0 H GLU A 34 9.847 -13.695 3.748 1.00 0.00 H new ATOM 0 HA GLU A 34 7.972 -11.838 2.833 1.00 0.00 H new ATOM 0 HB2 GLU A 34 8.033 -14.227 4.596 1.00 0.00 H new ATOM 0 HB3 GLU A 34 6.695 -13.133 4.886 1.00 0.00 H new ATOM 0 HG2 GLU A 34 6.119 -13.247 2.450 1.00 0.00 H new ATOM 0 HG3 GLU A 34 7.407 -14.413 2.225 1.00 0.00 H new ATOM 513 N GLU A 35 8.858 -11.444 5.985 1.00 0.00 N ATOM 514 CA GLU A 35 8.853 -10.502 7.097 1.00 0.00 C ATOM 515 C GLU A 35 9.535 -9.194 6.705 1.00 0.00 C ATOM 516 O GLU A 35 9.167 -8.126 7.190 1.00 0.00 O ATOM 517 CB GLU A 35 9.551 -11.114 8.313 1.00 0.00 C ATOM 518 CG GLU A 35 8.634 -11.967 9.175 1.00 0.00 C ATOM 519 CD GLU A 35 9.335 -12.522 10.400 1.00 0.00 C ATOM 520 OE1 GLU A 35 10.385 -13.177 10.236 1.00 0.00 O ATOM 521 OE2 GLU A 35 8.834 -12.301 11.522 1.00 0.00 O ATOM 0 H GLU A 35 9.386 -12.299 6.159 1.00 0.00 H new ATOM 0 HA GLU A 35 7.816 -10.285 7.354 1.00 0.00 H new ATOM 0 HB2 GLU A 35 10.387 -11.724 7.972 1.00 0.00 H new ATOM 0 HB3 GLU A 35 9.968 -10.313 8.923 1.00 0.00 H new ATOM 0 HG2 GLU A 35 7.778 -11.370 9.490 1.00 0.00 H new ATOM 0 HG3 GLU A 35 8.245 -12.792 8.579 1.00 0.00 H new ATOM 528 N ASP A 36 10.525 -9.280 5.820 1.00 0.00 N ATOM 529 CA ASP A 36 11.242 -8.093 5.368 1.00 0.00 C ATOM 530 C ASP A 36 10.369 -7.267 4.432 1.00 0.00 C ATOM 531 O ASP A 36 10.156 -6.075 4.653 1.00 0.00 O ATOM 532 CB ASP A 36 12.542 -8.490 4.666 1.00 0.00 C ATOM 533 CG ASP A 36 13.747 -8.383 5.579 1.00 0.00 C ATOM 534 OD1 ASP A 36 13.987 -9.329 6.359 1.00 0.00 O ATOM 535 OD2 ASP A 36 14.450 -7.352 5.516 1.00 0.00 O ATOM 0 H ASP A 36 10.847 -10.154 5.404 1.00 0.00 H new ATOM 0 HA ASP A 36 11.487 -7.487 6.240 1.00 0.00 H new ATOM 0 HB2 ASP A 36 12.456 -9.513 4.300 1.00 0.00 H new ATOM 0 HB3 ASP A 36 12.691 -7.852 3.795 1.00 0.00 H new ATOM 540 N MET A 37 9.853 -7.917 3.398 1.00 0.00 N ATOM 541 CA MET A 37 8.986 -7.249 2.433 1.00 0.00 C ATOM 542 C MET A 37 7.740 -6.723 3.135 1.00 0.00 C ATOM 543 O MET A 37 7.375 -5.556 2.995 1.00 0.00 O ATOM 544 CB MET A 37 8.590 -8.212 1.313 1.00 0.00 C ATOM 545 CG MET A 37 7.848 -7.542 0.168 1.00 0.00 C ATOM 546 SD MET A 37 8.957 -6.911 -1.105 1.00 0.00 S ATOM 547 CE MET A 37 8.654 -5.151 -0.975 1.00 0.00 C ATOM 0 H MET A 37 10.018 -8.905 3.205 1.00 0.00 H new ATOM 0 HA MET A 37 9.530 -6.412 1.994 1.00 0.00 H new ATOM 0 HB2 MET A 37 9.488 -8.690 0.922 1.00 0.00 H new ATOM 0 HB3 MET A 37 7.963 -9.001 1.728 1.00 0.00 H new ATOM 0 HG2 MET A 37 7.157 -8.257 -0.279 1.00 0.00 H new ATOM 0 HG3 MET A 37 7.248 -6.721 0.560 1.00 0.00 H new ATOM 0 HE1 MET A 37 9.469 -4.605 -1.450 1.00 0.00 H new ATOM 0 HE2 MET A 37 7.715 -4.906 -1.471 1.00 0.00 H new ATOM 0 HE3 MET A 37 8.593 -4.869 0.076 1.00 0.00 H new ATOM 557 N VAL A 38 7.100 -7.599 3.902 1.00 0.00 N ATOM 558 CA VAL A 38 5.900 -7.247 4.649 1.00 0.00 C ATOM 559 C VAL A 38 6.162 -6.045 5.555 1.00 0.00 C ATOM 560 O VAL A 38 5.378 -5.098 5.586 1.00 0.00 O ATOM 561 CB VAL A 38 5.417 -8.447 5.497 1.00 0.00 C ATOM 562 CG1 VAL A 38 4.382 -8.023 6.530 1.00 0.00 C ATOM 563 CG2 VAL A 38 4.863 -9.541 4.596 1.00 0.00 C ATOM 0 H VAL A 38 7.397 -8.567 4.023 1.00 0.00 H new ATOM 0 HA VAL A 38 5.122 -6.984 3.933 1.00 0.00 H new ATOM 0 HB VAL A 38 6.276 -8.841 6.040 1.00 0.00 H new ATOM 0 HG11 VAL A 38 4.066 -8.892 7.107 1.00 0.00 H new ATOM 0 HG12 VAL A 38 4.819 -7.282 7.200 1.00 0.00 H new ATOM 0 HG13 VAL A 38 3.519 -7.590 6.024 1.00 0.00 H new ATOM 0 HG21 VAL A 38 4.527 -10.379 5.206 1.00 0.00 H new ATOM 0 HG22 VAL A 38 4.023 -9.149 4.023 1.00 0.00 H new ATOM 0 HG23 VAL A 38 5.642 -9.879 3.913 1.00 0.00 H new ATOM 573 N THR A 39 7.273 -6.088 6.284 1.00 0.00 N ATOM 574 CA THR A 39 7.635 -4.995 7.180 1.00 0.00 C ATOM 575 C THR A 39 7.827 -3.704 6.391 1.00 0.00 C ATOM 576 O THR A 39 7.486 -2.618 6.863 1.00 0.00 O ATOM 577 CB THR A 39 8.908 -5.339 7.959 1.00 0.00 C ATOM 578 OG1 THR A 39 8.670 -6.408 8.858 1.00 0.00 O ATOM 579 CG2 THR A 39 9.456 -4.181 8.766 1.00 0.00 C ATOM 0 H THR A 39 7.935 -6.864 6.272 1.00 0.00 H new ATOM 0 HA THR A 39 6.823 -4.849 7.893 1.00 0.00 H new ATOM 0 HB THR A 39 9.642 -5.610 7.200 1.00 0.00 H new ATOM 0 HG1 THR A 39 9.117 -7.216 8.531 1.00 0.00 H new ATOM 0 HG21 THR A 39 10.357 -4.498 9.291 1.00 0.00 H new ATOM 0 HG22 THR A 39 9.697 -3.354 8.098 1.00 0.00 H new ATOM 0 HG23 THR A 39 8.709 -3.857 9.491 1.00 0.00 H new ATOM 587 N VAL A 40 8.357 -3.831 5.178 1.00 0.00 N ATOM 588 CA VAL A 40 8.572 -2.675 4.318 1.00 0.00 C ATOM 589 C VAL A 40 7.241 -2.174 3.776 1.00 0.00 C ATOM 590 O VAL A 40 7.047 -0.974 3.581 1.00 0.00 O ATOM 591 CB VAL A 40 9.508 -3.011 3.139 1.00 0.00 C ATOM 592 CG1 VAL A 40 9.783 -1.769 2.302 1.00 0.00 C ATOM 593 CG2 VAL A 40 10.807 -3.621 3.643 1.00 0.00 C ATOM 0 H VAL A 40 8.644 -4.721 4.771 1.00 0.00 H new ATOM 0 HA VAL A 40 9.044 -1.899 4.921 1.00 0.00 H new ATOM 0 HB VAL A 40 9.011 -3.745 2.505 1.00 0.00 H new ATOM 0 HG11 VAL A 40 10.445 -2.027 1.475 1.00 0.00 H new ATOM 0 HG12 VAL A 40 8.844 -1.381 1.907 1.00 0.00 H new ATOM 0 HG13 VAL A 40 10.257 -1.009 2.923 1.00 0.00 H new ATOM 0 HG21 VAL A 40 11.454 -3.851 2.796 1.00 0.00 H new ATOM 0 HG22 VAL A 40 11.310 -2.913 4.302 1.00 0.00 H new ATOM 0 HG23 VAL A 40 10.590 -4.537 4.193 1.00 0.00 H new ATOM 603 N VAL A 41 6.324 -3.107 3.546 1.00 0.00 N ATOM 604 CA VAL A 41 5.001 -2.773 3.041 1.00 0.00 C ATOM 605 C VAL A 41 4.222 -1.978 4.081 1.00 0.00 C ATOM 606 O VAL A 41 3.614 -0.954 3.770 1.00 0.00 O ATOM 607 CB VAL A 41 4.211 -4.044 2.667 1.00 0.00 C ATOM 608 CG1 VAL A 41 2.841 -3.691 2.108 1.00 0.00 C ATOM 609 CG2 VAL A 41 4.998 -4.887 1.673 1.00 0.00 C ATOM 0 H VAL A 41 6.475 -4.104 3.702 1.00 0.00 H new ATOM 0 HA VAL A 41 5.131 -2.167 2.144 1.00 0.00 H new ATOM 0 HB VAL A 41 4.061 -4.630 3.574 1.00 0.00 H new ATOM 0 HG11 VAL A 41 2.306 -4.605 1.853 1.00 0.00 H new ATOM 0 HG12 VAL A 41 2.275 -3.136 2.856 1.00 0.00 H new ATOM 0 HG13 VAL A 41 2.960 -3.078 1.214 1.00 0.00 H new ATOM 0 HG21 VAL A 41 4.426 -5.780 1.420 1.00 0.00 H new ATOM 0 HG22 VAL A 41 5.183 -4.306 0.769 1.00 0.00 H new ATOM 0 HG23 VAL A 41 5.950 -5.179 2.117 1.00 0.00 H new ATOM 619 N GLU A 42 4.253 -2.454 5.322 1.00 0.00 N ATOM 620 CA GLU A 42 3.558 -1.786 6.413 1.00 0.00 C ATOM 621 C GLU A 42 4.141 -0.396 6.646 1.00 0.00 C ATOM 622 O GLU A 42 3.406 0.585 6.766 1.00 0.00 O ATOM 623 CB GLU A 42 3.660 -2.619 7.692 1.00 0.00 C ATOM 624 CG GLU A 42 2.312 -2.960 8.303 1.00 0.00 C ATOM 625 CD GLU A 42 2.427 -3.913 9.477 1.00 0.00 C ATOM 626 OE1 GLU A 42 2.669 -5.116 9.243 1.00 0.00 O ATOM 627 OE2 GLU A 42 2.275 -3.455 10.630 1.00 0.00 O ATOM 0 H GLU A 42 4.753 -3.300 5.595 1.00 0.00 H new ATOM 0 HA GLU A 42 2.508 -1.682 6.141 1.00 0.00 H new ATOM 0 HB2 GLU A 42 4.195 -3.543 7.472 1.00 0.00 H new ATOM 0 HB3 GLU A 42 4.254 -2.073 8.425 1.00 0.00 H new ATOM 0 HG2 GLU A 42 1.824 -2.042 8.631 1.00 0.00 H new ATOM 0 HG3 GLU A 42 1.674 -3.405 7.540 1.00 0.00 H new ATOM 634 N ASP A 43 5.466 -0.320 6.707 1.00 0.00 N ATOM 635 CA ASP A 43 6.152 0.948 6.924 1.00 0.00 C ATOM 636 C ASP A 43 5.790 1.962 5.843 1.00 0.00 C ATOM 637 O ASP A 43 5.495 3.119 6.138 1.00 0.00 O ATOM 638 CB ASP A 43 7.667 0.734 6.945 1.00 0.00 C ATOM 639 CG ASP A 43 8.191 0.430 8.335 1.00 0.00 C ATOM 640 OD1 ASP A 43 8.052 -0.727 8.782 1.00 0.00 O ATOM 641 OD2 ASP A 43 8.742 1.350 8.976 1.00 0.00 O ATOM 0 H ASP A 43 6.087 -1.123 6.609 1.00 0.00 H new ATOM 0 HA ASP A 43 5.830 1.342 7.888 1.00 0.00 H new ATOM 0 HB2 ASP A 43 7.924 -0.087 6.276 1.00 0.00 H new ATOM 0 HB3 ASP A 43 8.162 1.626 6.560 1.00 0.00 H new ATOM 646 N TRP A 44 5.829 1.522 4.591 1.00 0.00 N ATOM 647 CA TRP A 44 5.523 2.397 3.464 1.00 0.00 C ATOM 648 C TRP A 44 4.099 2.940 3.550 1.00 0.00 C ATOM 649 O TRP A 44 3.871 4.141 3.388 1.00 0.00 O ATOM 650 CB TRP A 44 5.706 1.644 2.144 1.00 0.00 C ATOM 651 CG TRP A 44 7.140 1.464 1.738 1.00 0.00 C ATOM 652 CD1 TRP A 44 8.245 1.956 2.373 1.00 0.00 C ATOM 653 CD2 TRP A 44 7.620 0.739 0.600 1.00 0.00 C ATOM 654 NE1 TRP A 44 9.383 1.580 1.698 1.00 0.00 N ATOM 655 CE2 TRP A 44 9.025 0.832 0.606 1.00 0.00 C ATOM 656 CE3 TRP A 44 6.998 0.019 -0.424 1.00 0.00 C ATOM 657 CZ2 TRP A 44 9.815 0.233 -0.371 1.00 0.00 C ATOM 658 CZ3 TRP A 44 7.784 -0.576 -1.393 1.00 0.00 C ATOM 659 CH2 TRP A 44 9.180 -0.466 -1.361 1.00 0.00 C ATOM 0 H TRP A 44 6.069 0.566 4.330 1.00 0.00 H new ATOM 0 HA TRP A 44 6.214 3.239 3.503 1.00 0.00 H new ATOM 0 HB2 TRP A 44 5.237 0.664 2.229 1.00 0.00 H new ATOM 0 HB3 TRP A 44 5.180 2.182 1.355 1.00 0.00 H new ATOM 0 HD1 TRP A 44 8.228 2.553 3.273 1.00 0.00 H new ATOM 0 HE1 TRP A 44 10.338 1.819 1.966 1.00 0.00 H new ATOM 0 HE3 TRP A 44 5.922 -0.071 -0.458 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 10.891 0.317 -0.348 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 7.314 -1.135 -2.188 1.00 0.00 H new ATOM 0 HH2 TRP A 44 9.767 -0.942 -2.133 1.00 0.00 H new ATOM 670 N MET A 45 3.139 2.054 3.796 1.00 0.00 N ATOM 671 CA MET A 45 1.738 2.456 3.889 1.00 0.00 C ATOM 672 C MET A 45 1.484 3.322 5.119 1.00 0.00 C ATOM 673 O MET A 45 0.752 4.309 5.051 1.00 0.00 O ATOM 674 CB MET A 45 0.832 1.223 3.922 1.00 0.00 C ATOM 675 CG MET A 45 1.046 0.338 5.140 1.00 0.00 C ATOM 676 SD MET A 45 -0.110 -1.044 5.205 1.00 0.00 S ATOM 677 CE MET A 45 0.676 -2.196 4.081 1.00 0.00 C ATOM 0 H MET A 45 3.303 1.057 3.934 1.00 0.00 H new ATOM 0 HA MET A 45 1.506 3.050 3.005 1.00 0.00 H new ATOM 0 HB2 MET A 45 -0.208 1.547 3.898 1.00 0.00 H new ATOM 0 HB3 MET A 45 1.003 0.633 3.021 1.00 0.00 H new ATOM 0 HG2 MET A 45 2.066 -0.046 5.130 1.00 0.00 H new ATOM 0 HG3 MET A 45 0.940 0.938 6.044 1.00 0.00 H new ATOM 0 HE1 MET A 45 -0.087 -2.776 3.562 1.00 0.00 H new ATOM 0 HE2 MET A 45 1.271 -1.645 3.353 1.00 0.00 H new ATOM 0 HE3 MET A 45 1.323 -2.869 4.644 1.00 0.00 H new ATOM 687 N ASN A 46 2.079 2.945 6.247 1.00 0.00 N ATOM 688 CA ASN A 46 1.895 3.692 7.486 1.00 0.00 C ATOM 689 C ASN A 46 2.548 5.073 7.400 1.00 0.00 C ATOM 690 O ASN A 46 2.096 6.023 8.042 1.00 0.00 O ATOM 691 CB ASN A 46 2.445 2.893 8.678 1.00 0.00 C ATOM 692 CG ASN A 46 3.776 3.418 9.193 1.00 0.00 C ATOM 693 OD1 ASN A 46 4.826 3.167 8.603 1.00 0.00 O ATOM 694 ND2 ASN A 46 3.733 4.151 10.298 1.00 0.00 N ATOM 0 H ASN A 46 2.689 2.132 6.328 1.00 0.00 H new ATOM 0 HA ASN A 46 0.826 3.844 7.639 1.00 0.00 H new ATOM 0 HB2 ASN A 46 1.716 2.915 9.488 1.00 0.00 H new ATOM 0 HB3 ASN A 46 2.563 1.850 8.384 1.00 0.00 H new ATOM 0 HD21 ASN A 46 4.594 4.532 10.691 1.00 0.00 H new ATOM 0 HD22 ASN A 46 2.839 4.334 10.754 1.00 0.00 H new ATOM 701 N PHE A 47 3.602 5.188 6.600 1.00 0.00 N ATOM 702 CA PHE A 47 4.278 6.467 6.444 1.00 0.00 C ATOM 703 C PHE A 47 3.444 7.388 5.567 1.00 0.00 C ATOM 704 O PHE A 47 3.273 8.561 5.879 1.00 0.00 O ATOM 705 CB PHE A 47 5.691 6.279 5.861 1.00 0.00 C ATOM 706 CG PHE A 47 5.923 6.958 4.533 1.00 0.00 C ATOM 707 CD1 PHE A 47 6.079 8.336 4.454 1.00 0.00 C ATOM 708 CD2 PHE A 47 5.983 6.215 3.364 1.00 0.00 C ATOM 709 CE1 PHE A 47 6.291 8.954 3.236 1.00 0.00 C ATOM 710 CE2 PHE A 47 6.196 6.830 2.145 1.00 0.00 C ATOM 711 CZ PHE A 47 6.349 8.201 2.081 1.00 0.00 C ATOM 0 H PHE A 47 4.001 4.422 6.057 1.00 0.00 H new ATOM 0 HA PHE A 47 4.389 6.925 7.427 1.00 0.00 H new ATOM 0 HB2 PHE A 47 6.418 6.658 6.579 1.00 0.00 H new ATOM 0 HB3 PHE A 47 5.882 5.212 5.746 1.00 0.00 H new ATOM 0 HD1 PHE A 47 6.034 8.931 5.354 1.00 0.00 H new ATOM 0 HD2 PHE A 47 5.862 5.143 3.407 1.00 0.00 H new ATOM 0 HE1 PHE A 47 6.411 10.026 3.188 1.00 0.00 H new ATOM 0 HE2 PHE A 47 6.243 6.239 1.243 1.00 0.00 H new ATOM 0 HZ PHE A 47 6.514 8.683 1.129 1.00 0.00 H new ATOM 721 N TYR A 48 2.919 6.846 4.475 1.00 0.00 N ATOM 722 CA TYR A 48 2.097 7.635 3.572 1.00 0.00 C ATOM 723 C TYR A 48 0.826 8.097 4.275 1.00 0.00 C ATOM 724 O TYR A 48 0.399 9.236 4.105 1.00 0.00 O ATOM 725 CB TYR A 48 1.754 6.836 2.315 1.00 0.00 C ATOM 726 CG TYR A 48 2.680 7.116 1.149 1.00 0.00 C ATOM 727 CD1 TYR A 48 3.116 8.408 0.866 1.00 0.00 C ATOM 728 CD2 TYR A 48 3.115 6.083 0.327 1.00 0.00 C ATOM 729 CE1 TYR A 48 3.959 8.658 -0.201 1.00 0.00 C ATOM 730 CE2 TYR A 48 3.959 6.328 -0.740 1.00 0.00 C ATOM 731 CZ TYR A 48 4.377 7.615 -0.999 1.00 0.00 C ATOM 732 OH TYR A 48 5.216 7.861 -2.062 1.00 0.00 O ATOM 0 H TYR A 48 3.047 5.873 4.197 1.00 0.00 H new ATOM 0 HA TYR A 48 2.666 8.515 3.272 1.00 0.00 H new ATOM 0 HB2 TYR A 48 1.790 5.772 2.549 1.00 0.00 H new ATOM 0 HB3 TYR A 48 0.730 7.063 2.018 1.00 0.00 H new ATOM 0 HD1 TYR A 48 2.791 9.227 1.490 1.00 0.00 H new ATOM 0 HD2 TYR A 48 2.788 5.073 0.525 1.00 0.00 H new ATOM 0 HE1 TYR A 48 4.288 9.666 -0.408 1.00 0.00 H new ATOM 0 HE2 TYR A 48 4.289 5.514 -1.368 1.00 0.00 H new ATOM 0 HH TYR A 48 5.605 7.017 -2.374 1.00 0.00 H new ATOM 742 N ILE A 49 0.226 7.215 5.072 1.00 0.00 N ATOM 743 CA ILE A 49 -0.990 7.563 5.797 1.00 0.00 C ATOM 744 C ILE A 49 -0.713 8.684 6.798 1.00 0.00 C ATOM 745 O ILE A 49 -1.419 9.695 6.825 1.00 0.00 O ATOM 746 CB ILE A 49 -1.596 6.345 6.535 1.00 0.00 C ATOM 747 CG1 ILE A 49 -2.939 6.721 7.159 1.00 0.00 C ATOM 748 CG2 ILE A 49 -0.648 5.825 7.595 1.00 0.00 C ATOM 749 CD1 ILE A 49 -3.735 5.530 7.645 1.00 0.00 C ATOM 0 H ILE A 49 0.559 6.264 5.230 1.00 0.00 H new ATOM 0 HA ILE A 49 -1.716 7.903 5.058 1.00 0.00 H new ATOM 0 HB ILE A 49 -1.756 5.550 5.807 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -2.765 7.397 7.996 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -3.531 7.268 6.425 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -1.099 4.969 8.098 1.00 0.00 H new ATOM 0 HG22 ILE A 49 0.288 5.519 7.128 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -0.450 6.611 8.323 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -4.676 5.872 8.076 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -3.941 4.864 6.807 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -3.163 4.995 8.403 1.00 0.00 H new ATOM 761 N ASN A 50 0.332 8.510 7.604 1.00 0.00 N ATOM 762 CA ASN A 50 0.711 9.519 8.586 1.00 0.00 C ATOM 763 C ASN A 50 1.180 10.788 7.878 1.00 0.00 C ATOM 764 O ASN A 50 1.026 11.900 8.384 1.00 0.00 O ATOM 765 CB ASN A 50 1.820 8.984 9.494 1.00 0.00 C ATOM 766 CG ASN A 50 1.687 9.476 10.922 1.00 0.00 C ATOM 767 OD1 ASN A 50 0.650 9.294 11.560 1.00 0.00 O ATOM 768 ND2 ASN A 50 2.741 10.102 11.432 1.00 0.00 N ATOM 0 H ASN A 50 0.928 7.683 7.596 1.00 0.00 H new ATOM 0 HA ASN A 50 -0.159 9.756 9.198 1.00 0.00 H new ATOM 0 HB2 ASN A 50 1.799 7.894 9.485 1.00 0.00 H new ATOM 0 HB3 ASN A 50 2.789 9.287 9.097 1.00 0.00 H new ATOM 0 HD21 ASN A 50 2.711 10.454 12.389 1.00 0.00 H new ATOM 0 HD22 ASN A 50 3.580 10.231 10.867 1.00 0.00 H new ATOM 775 N TYR A 51 1.764 10.591 6.704 1.00 0.00 N ATOM 776 CA TYR A 51 2.288 11.675 5.884 1.00 0.00 C ATOM 777 C TYR A 51 1.170 12.514 5.267 1.00 0.00 C ATOM 778 O TYR A 51 1.230 13.744 5.266 1.00 0.00 O ATOM 779 CB TYR A 51 3.158 11.068 4.783 1.00 0.00 C ATOM 780 CG TYR A 51 3.842 12.071 3.893 1.00 0.00 C ATOM 781 CD1 TYR A 51 3.123 12.826 2.978 1.00 0.00 C ATOM 782 CD2 TYR A 51 5.214 12.245 3.957 1.00 0.00 C ATOM 783 CE1 TYR A 51 3.757 13.730 2.151 1.00 0.00 C ATOM 784 CE2 TYR A 51 5.857 13.147 3.138 1.00 0.00 C ATOM 785 CZ TYR A 51 5.125 13.889 2.235 1.00 0.00 C ATOM 786 OH TYR A 51 5.761 14.790 1.412 1.00 0.00 O ATOM 0 H TYR A 51 1.888 9.667 6.290 1.00 0.00 H new ATOM 0 HA TYR A 51 2.876 12.341 6.515 1.00 0.00 H new ATOM 0 HB2 TYR A 51 3.917 10.437 5.246 1.00 0.00 H new ATOM 0 HB3 TYR A 51 2.537 10.419 4.165 1.00 0.00 H new ATOM 0 HD1 TYR A 51 2.052 12.704 2.912 1.00 0.00 H new ATOM 0 HD2 TYR A 51 5.790 11.663 4.661 1.00 0.00 H new ATOM 0 HE1 TYR A 51 3.186 14.310 1.442 1.00 0.00 H new ATOM 0 HE2 TYR A 51 6.928 13.272 3.203 1.00 0.00 H new ATOM 0 HH TYR A 51 6.723 14.781 1.599 1.00 0.00 H new ATOM 796 N TYR A 52 0.162 11.840 4.729 1.00 0.00 N ATOM 797 CA TYR A 52 -0.964 12.514 4.088 1.00 0.00 C ATOM 798 C TYR A 52 -1.907 13.146 5.104 1.00 0.00 C ATOM 799 O TYR A 52 -2.580 14.131 4.800 1.00 0.00 O ATOM 800 CB TYR A 52 -1.723 11.529 3.201 1.00 0.00 C ATOM 801 CG TYR A 52 -0.875 10.986 2.076 1.00 0.00 C ATOM 802 CD1 TYR A 52 -0.043 11.828 1.353 1.00 0.00 C ATOM 803 CD2 TYR A 52 -0.894 9.639 1.746 1.00 0.00 C ATOM 804 CE1 TYR A 52 0.746 11.346 0.329 1.00 0.00 C ATOM 805 CE2 TYR A 52 -0.105 9.146 0.724 1.00 0.00 C ATOM 806 CZ TYR A 52 0.714 10.006 0.019 1.00 0.00 C ATOM 807 OH TYR A 52 1.509 9.525 -0.997 1.00 0.00 O ATOM 0 H TYR A 52 0.100 10.822 4.723 1.00 0.00 H new ATOM 0 HA TYR A 52 -0.562 13.321 3.475 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -2.084 10.701 3.811 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -2.600 12.024 2.784 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -0.012 12.880 1.596 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -1.535 8.965 2.296 1.00 0.00 H new ATOM 0 HE1 TYR A 52 1.385 12.017 -0.226 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -0.129 8.095 0.478 1.00 0.00 H new ATOM 0 HH TYR A 52 1.914 8.676 -0.722 1.00 0.00 H new ATOM 817 N ARG A 53 -1.952 12.594 6.311 1.00 0.00 N ATOM 818 CA ARG A 53 -2.817 13.142 7.349 1.00 0.00 C ATOM 819 C ARG A 53 -2.304 14.507 7.800 1.00 0.00 C ATOM 820 O ARG A 53 -3.070 15.343 8.280 1.00 0.00 O ATOM 821 CB ARG A 53 -2.905 12.191 8.546 1.00 0.00 C ATOM 822 CG ARG A 53 -1.611 12.075 9.336 1.00 0.00 C ATOM 823 CD ARG A 53 -1.874 11.783 10.806 1.00 0.00 C ATOM 824 NE ARG A 53 -2.489 10.472 11.005 1.00 0.00 N ATOM 825 CZ ARG A 53 -3.795 10.278 11.191 1.00 0.00 C ATOM 826 NH1 ARG A 53 -4.638 11.304 11.196 1.00 0.00 N ATOM 827 NH2 ARG A 53 -4.260 9.049 11.372 1.00 0.00 N ATOM 0 H ARG A 53 -1.408 11.779 6.593 1.00 0.00 H new ATOM 0 HA ARG A 53 -3.816 13.260 6.930 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -3.697 12.533 9.212 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -3.193 11.201 8.191 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -0.995 11.282 8.912 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -1.044 13.002 9.245 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -0.935 11.830 11.358 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -2.525 12.554 11.218 1.00 0.00 H new ATOM 0 HE ARG A 53 -1.880 9.653 11.001 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -4.288 12.252 11.057 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -5.635 11.144 11.339 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -3.619 8.256 11.369 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -5.259 8.897 11.515 1.00 0.00 H new ATOM 841 N GLN A 54 -0.999 14.721 7.647 1.00 0.00 N ATOM 842 CA GLN A 54 -0.374 15.975 8.042 1.00 0.00 C ATOM 843 C GLN A 54 -0.685 17.082 7.046 1.00 0.00 C ATOM 844 O GLN A 54 -0.850 18.239 7.434 1.00 0.00 O ATOM 845 CB GLN A 54 1.141 15.796 8.164 1.00 0.00 C ATOM 846 CG GLN A 54 1.603 15.464 9.574 1.00 0.00 C ATOM 847 CD GLN A 54 2.461 14.215 9.628 1.00 0.00 C ATOM 848 OE1 GLN A 54 2.164 13.275 10.366 1.00 0.00 O ATOM 849 NE2 GLN A 54 3.533 14.200 8.845 1.00 0.00 N ATOM 0 H GLN A 54 -0.354 14.037 7.250 1.00 0.00 H new ATOM 0 HA GLN A 54 -0.782 16.262 9.011 1.00 0.00 H new ATOM 0 HB2 GLN A 54 1.460 15.001 7.490 1.00 0.00 H new ATOM 0 HB3 GLN A 54 1.634 16.711 7.835 1.00 0.00 H new ATOM 0 HG2 GLN A 54 2.168 16.306 9.975 1.00 0.00 H new ATOM 0 HG3 GLN A 54 0.732 15.330 10.216 1.00 0.00 H new ATOM 0 HE21 GLN A 54 3.741 15.002 8.249 1.00 0.00 H new ATOM 0 HE22 GLN A 54 4.149 13.387 8.839 1.00 0.00 H new ATOM 858 N GLN A 55 -0.767 16.739 5.762 1.00 0.00 N ATOM 859 CA GLN A 55 -1.058 17.725 4.726 1.00 0.00 C ATOM 860 C GLN A 55 -2.538 18.108 4.729 1.00 0.00 C ATOM 861 O GLN A 55 -3.176 18.167 3.678 1.00 0.00 O ATOM 862 CB GLN A 55 -0.667 17.171 3.353 1.00 0.00 C ATOM 863 CG GLN A 55 0.720 16.551 3.318 1.00 0.00 C ATOM 864 CD GLN A 55 1.808 17.571 3.050 1.00 0.00 C ATOM 865 OE1 GLN A 55 1.541 18.767 2.938 1.00 0.00 O ATOM 866 NE2 GLN A 55 3.046 17.101 2.945 1.00 0.00 N ATOM 0 H GLN A 55 -0.636 15.788 5.416 1.00 0.00 H new ATOM 0 HA GLN A 55 -0.474 18.621 4.936 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -1.398 16.421 3.052 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -0.715 17.976 2.619 1.00 0.00 H new ATOM 0 HG2 GLN A 55 0.917 16.057 4.269 1.00 0.00 H new ATOM 0 HG3 GLN A 55 0.751 15.782 2.547 1.00 0.00 H new ATOM 0 HE21 GLN A 55 3.222 16.101 3.045 1.00 0.00 H new ATOM 0 HE22 GLN A 55 3.820 17.740 2.765 1.00 0.00 H new ATOM 927 N PRO A 60 -11.679 18.841 7.647 1.00 0.00 N ATOM 928 CA PRO A 60 -11.740 17.504 8.248 1.00 0.00 C ATOM 929 C PRO A 60 -12.160 16.435 7.246 1.00 0.00 C ATOM 930 O PRO A 60 -11.552 15.368 7.170 1.00 0.00 O ATOM 931 CB PRO A 60 -12.791 17.647 9.354 1.00 0.00 C ATOM 932 CG PRO A 60 -13.600 18.838 8.968 1.00 0.00 C ATOM 933 CD PRO A 60 -12.660 19.762 8.247 1.00 0.00 C ATOM 0 HA PRO A 60 -10.765 17.183 8.614 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -13.412 16.754 9.425 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -12.322 17.788 10.328 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -14.434 18.552 8.327 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -14.025 19.322 9.847 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -13.176 20.351 7.489 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -12.186 20.467 8.930 1.00 0.00 H new ATOM 941 N GLN A 61 -13.199 16.728 6.473 1.00 0.00 N ATOM 942 CA GLN A 61 -13.688 15.789 5.472 1.00 0.00 C ATOM 943 C GLN A 61 -12.592 15.470 4.459 1.00 0.00 C ATOM 944 O GLN A 61 -12.517 14.358 3.937 1.00 0.00 O ATOM 945 CB GLN A 61 -14.914 16.363 4.755 1.00 0.00 C ATOM 946 CG GLN A 61 -16.234 15.870 5.323 1.00 0.00 C ATOM 947 CD GLN A 61 -16.831 14.736 4.511 1.00 0.00 C ATOM 948 OE1 GLN A 61 -17.237 14.924 3.365 1.00 0.00 O ATOM 949 NE2 GLN A 61 -16.887 13.549 5.105 1.00 0.00 N ATOM 0 H GLN A 61 -13.717 17.605 6.520 1.00 0.00 H new ATOM 0 HA GLN A 61 -13.976 14.868 5.978 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -14.885 17.451 4.816 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -14.862 16.102 3.698 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -16.082 15.536 6.349 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -16.942 16.698 5.359 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -16.539 13.438 6.057 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -17.278 12.748 4.609 1.00 0.00 H new ATOM 958 N GLU A 62 -11.747 16.459 4.186 1.00 0.00 N ATOM 959 CA GLU A 62 -10.656 16.293 3.234 1.00 0.00 C ATOM 960 C GLU A 62 -9.616 15.300 3.748 1.00 0.00 C ATOM 961 O GLU A 62 -9.186 14.409 3.013 1.00 0.00 O ATOM 962 CB GLU A 62 -9.997 17.641 2.940 1.00 0.00 C ATOM 963 CG GLU A 62 -10.370 18.213 1.582 1.00 0.00 C ATOM 964 CD GLU A 62 -10.557 19.718 1.614 1.00 0.00 C ATOM 965 OE1 GLU A 62 -9.538 20.441 1.634 1.00 0.00 O ATOM 966 OE2 GLU A 62 -11.719 20.173 1.619 1.00 0.00 O ATOM 0 H GLU A 62 -11.798 17.385 4.611 1.00 0.00 H new ATOM 0 HA GLU A 62 -11.077 15.894 2.311 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -10.281 18.352 3.716 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -8.914 17.527 2.993 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -9.592 17.963 0.860 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -11.290 17.744 1.235 1.00 0.00 H new ATOM 973 N ARG A 63 -9.211 15.446 5.008 1.00 0.00 N ATOM 974 CA ARG A 63 -8.221 14.541 5.583 1.00 0.00 C ATOM 975 C ARG A 63 -8.832 13.165 5.809 1.00 0.00 C ATOM 976 O ARG A 63 -8.269 12.159 5.410 1.00 0.00 O ATOM 977 CB ARG A 63 -7.673 15.095 6.904 1.00 0.00 C ATOM 978 CG ARG A 63 -8.736 15.348 7.960 1.00 0.00 C ATOM 979 CD ARG A 63 -8.155 16.032 9.185 1.00 0.00 C ATOM 980 NE ARG A 63 -8.360 17.479 9.153 1.00 0.00 N ATOM 981 CZ ARG A 63 -8.368 18.252 10.236 1.00 0.00 C ATOM 982 NH1 ARG A 63 -8.177 17.727 11.440 1.00 0.00 N ATOM 983 NH2 ARG A 63 -8.565 19.558 10.115 1.00 0.00 N ATOM 0 H ARG A 63 -9.548 16.171 5.641 1.00 0.00 H new ATOM 0 HA ARG A 63 -7.394 14.452 4.878 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -6.940 14.394 7.303 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -7.146 16.028 6.703 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -9.528 15.967 7.539 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -9.192 14.402 8.252 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -8.616 15.620 10.083 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -7.088 15.818 9.248 1.00 0.00 H new ATOM 0 HE ARG A 63 -8.506 17.923 8.246 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -8.023 16.724 11.540 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -8.185 18.327 12.265 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -8.710 19.969 9.193 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -8.571 20.152 10.944 1.00 0.00 H new ATOM 997 N ASP A 64 -9.977 13.143 6.472 1.00 0.00 N ATOM 998 CA ASP A 64 -10.676 11.900 6.778 1.00 0.00 C ATOM 999 C ASP A 64 -11.059 11.127 5.518 1.00 0.00 C ATOM 1000 O ASP A 64 -11.072 9.892 5.516 1.00 0.00 O ATOM 1001 CB ASP A 64 -11.924 12.183 7.616 1.00 0.00 C ATOM 1002 CG ASP A 64 -12.177 11.109 8.656 1.00 0.00 C ATOM 1003 OD1 ASP A 64 -11.463 11.095 9.681 1.00 0.00 O ATOM 1004 OD2 ASP A 64 -13.089 10.282 8.445 1.00 0.00 O ATOM 0 H ASP A 64 -10.448 13.981 6.813 1.00 0.00 H new ATOM 0 HA ASP A 64 -9.987 11.277 7.349 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -11.814 13.147 8.112 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -12.790 12.260 6.959 1.00 0.00 H new ATOM 1009 N LYS A 65 -11.340 11.847 4.438 1.00 0.00 N ATOM 1010 CA LYS A 65 -11.699 11.207 3.182 1.00 0.00 C ATOM 1011 C LYS A 65 -10.463 10.633 2.509 1.00 0.00 C ATOM 1012 O LYS A 65 -10.465 9.494 2.045 1.00 0.00 O ATOM 1013 CB LYS A 65 -12.392 12.203 2.250 1.00 0.00 C ATOM 1014 CG LYS A 65 -12.795 11.610 0.910 1.00 0.00 C ATOM 1015 CD LYS A 65 -12.938 12.685 -0.154 1.00 0.00 C ATOM 1016 CE LYS A 65 -12.461 12.193 -1.511 1.00 0.00 C ATOM 1017 NZ LYS A 65 -13.232 12.807 -2.628 1.00 0.00 N ATOM 0 H LYS A 65 -11.326 12.866 4.408 1.00 0.00 H new ATOM 0 HA LYS A 65 -12.392 10.393 3.397 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -13.281 12.593 2.746 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -11.726 13.049 2.077 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -12.049 10.881 0.594 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -13.738 11.074 1.017 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -13.981 12.993 -0.224 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -12.365 13.565 0.137 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -11.403 12.425 -1.630 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -12.556 11.108 -1.558 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -12.876 12.445 -3.536 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -14.238 12.564 -2.530 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -13.121 13.841 -2.600 1.00 0.00 H new ATOM 1031 N ALA A 66 -9.405 11.427 2.473 1.00 0.00 N ATOM 1032 CA ALA A 66 -8.156 10.995 1.871 1.00 0.00 C ATOM 1033 C ALA A 66 -7.530 9.878 2.694 1.00 0.00 C ATOM 1034 O ALA A 66 -6.965 8.932 2.147 1.00 0.00 O ATOM 1035 CB ALA A 66 -7.193 12.167 1.750 1.00 0.00 C ATOM 0 H ALA A 66 -9.387 12.373 2.853 1.00 0.00 H new ATOM 0 HA ALA A 66 -8.366 10.614 0.872 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -6.262 11.827 1.297 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -7.639 12.941 1.126 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -6.988 12.573 2.741 1.00 0.00 H new ATOM 1041 N LEU A 67 -7.624 10.001 4.015 1.00 0.00 N ATOM 1042 CA LEU A 67 -7.058 9.014 4.919 1.00 0.00 C ATOM 1043 C LEU A 67 -7.773 7.678 4.801 1.00 0.00 C ATOM 1044 O LEU A 67 -7.128 6.629 4.836 1.00 0.00 O ATOM 1045 CB LEU A 67 -7.105 9.514 6.365 1.00 0.00 C ATOM 1046 CG LEU A 67 -5.774 10.041 6.909 1.00 0.00 C ATOM 1047 CD1 LEU A 67 -5.154 11.039 5.941 1.00 0.00 C ATOM 1048 CD2 LEU A 67 -5.971 10.677 8.276 1.00 0.00 C ATOM 0 H LEU A 67 -8.090 10.779 4.481 1.00 0.00 H new ATOM 0 HA LEU A 67 -6.017 8.866 4.633 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -7.849 10.307 6.436 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -7.445 8.700 7.005 1.00 0.00 H new ATOM 0 HG LEU A 67 -5.091 9.198 7.015 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -4.209 11.401 6.347 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -4.974 10.553 4.982 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -5.834 11.879 5.800 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -5.015 11.046 8.647 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -6.673 11.507 8.193 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -6.367 9.935 8.969 1.00 0.00 H new ATOM 1060 N GLN A 68 -9.098 7.694 4.638 1.00 0.00 N ATOM 1061 CA GLN A 68 -9.833 6.447 4.493 1.00 0.00 C ATOM 1062 C GLN A 68 -9.624 5.880 3.097 1.00 0.00 C ATOM 1063 O GLN A 68 -9.573 4.665 2.907 1.00 0.00 O ATOM 1064 CB GLN A 68 -11.324 6.666 4.760 1.00 0.00 C ATOM 1065 CG GLN A 68 -11.994 7.592 3.758 1.00 0.00 C ATOM 1066 CD GLN A 68 -13.464 7.805 4.055 1.00 0.00 C ATOM 1067 OE1 GLN A 68 -13.891 7.749 5.208 1.00 0.00 O ATOM 1068 NE2 GLN A 68 -14.249 8.051 3.012 1.00 0.00 N ATOM 0 H GLN A 68 -9.669 8.539 4.604 1.00 0.00 H new ATOM 0 HA GLN A 68 -9.456 5.733 5.225 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -11.832 5.702 4.747 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -11.448 7.078 5.762 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -11.483 8.555 3.761 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -11.886 7.177 2.756 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -13.853 8.089 2.073 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -15.248 8.202 3.150 1.00 0.00 H new ATOM 1077 N GLU A 69 -9.491 6.775 2.121 1.00 0.00 N ATOM 1078 CA GLU A 69 -9.272 6.372 0.742 1.00 0.00 C ATOM 1079 C GLU A 69 -7.885 5.770 0.586 1.00 0.00 C ATOM 1080 O GLU A 69 -7.709 4.751 -0.083 1.00 0.00 O ATOM 1081 CB GLU A 69 -9.440 7.568 -0.198 1.00 0.00 C ATOM 1082 CG GLU A 69 -9.656 7.177 -1.651 1.00 0.00 C ATOM 1083 CD GLU A 69 -8.422 7.395 -2.503 1.00 0.00 C ATOM 1084 OE1 GLU A 69 -7.354 6.851 -2.152 1.00 0.00 O ATOM 1085 OE2 GLU A 69 -8.523 8.112 -3.521 1.00 0.00 O ATOM 0 H GLU A 69 -9.532 7.784 2.264 1.00 0.00 H new ATOM 0 HA GLU A 69 -10.014 5.618 0.478 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -10.287 8.167 0.138 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -8.555 8.201 -0.129 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -9.947 6.128 -1.702 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -10.483 7.757 -2.060 1.00 0.00 H new ATOM 1092 N LEU A 70 -6.902 6.397 1.223 1.00 0.00 N ATOM 1093 CA LEU A 70 -5.533 5.908 1.169 1.00 0.00 C ATOM 1094 C LEU A 70 -5.455 4.555 1.860 1.00 0.00 C ATOM 1095 O LEU A 70 -4.906 3.595 1.319 1.00 0.00 O ATOM 1096 CB LEU A 70 -4.584 6.906 1.850 1.00 0.00 C ATOM 1097 CG LEU A 70 -3.652 7.693 0.919 1.00 0.00 C ATOM 1098 CD1 LEU A 70 -2.354 6.932 0.695 1.00 0.00 C ATOM 1099 CD2 LEU A 70 -4.330 7.999 -0.410 1.00 0.00 C ATOM 0 H LEU A 70 -7.029 7.242 1.780 1.00 0.00 H new ATOM 0 HA LEU A 70 -5.230 5.801 0.128 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -5.184 7.618 2.417 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -3.972 6.362 2.569 1.00 0.00 H new ATOM 0 HG LEU A 70 -3.419 8.642 1.402 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -1.706 7.505 0.032 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -1.852 6.779 1.651 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -2.573 5.965 0.241 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -3.645 8.557 -1.048 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -4.605 7.066 -0.902 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -5.226 8.593 -0.233 1.00 0.00 H new ATOM 1111 N ARG A 71 -6.007 4.494 3.067 1.00 0.00 N ATOM 1112 CA ARG A 71 -6.005 3.268 3.851 1.00 0.00 C ATOM 1113 C ARG A 71 -6.633 2.118 3.074 1.00 0.00 C ATOM 1114 O ARG A 71 -6.152 0.987 3.133 1.00 0.00 O ATOM 1115 CB ARG A 71 -6.754 3.479 5.168 1.00 0.00 C ATOM 1116 CG ARG A 71 -6.521 2.373 6.185 1.00 0.00 C ATOM 1117 CD ARG A 71 -7.433 1.182 5.936 1.00 0.00 C ATOM 1118 NE ARG A 71 -8.187 0.808 7.131 1.00 0.00 N ATOM 1119 CZ ARG A 71 -9.236 -0.012 7.118 1.00 0.00 C ATOM 1120 NH1 ARG A 71 -9.652 -0.549 5.977 1.00 0.00 N ATOM 1121 NH2 ARG A 71 -9.869 -0.298 8.247 1.00 0.00 N ATOM 0 H ARG A 71 -6.463 5.284 3.524 1.00 0.00 H new ATOM 0 HA ARG A 71 -4.968 3.009 4.067 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -6.448 4.431 5.602 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -7.822 3.552 4.961 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -5.481 2.051 6.141 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -6.693 2.760 7.190 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -8.127 1.420 5.130 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -6.837 0.332 5.603 1.00 0.00 H new ATOM 0 HE ARG A 71 -7.893 1.198 8.027 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -9.167 -0.334 5.106 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -10.456 -1.177 5.972 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -9.553 0.110 9.127 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -10.672 -0.926 8.236 1.00 0.00 H new ATOM 1135 N GLN A 72 -7.710 2.406 2.345 1.00 0.00 N ATOM 1136 CA GLN A 72 -8.389 1.382 1.564 1.00 0.00 C ATOM 1137 C GLN A 72 -7.571 1.003 0.336 1.00 0.00 C ATOM 1138 O GLN A 72 -7.368 -0.177 0.051 1.00 0.00 O ATOM 1139 CB GLN A 72 -9.773 1.872 1.135 1.00 0.00 C ATOM 1140 CG GLN A 72 -10.753 0.749 0.842 1.00 0.00 C ATOM 1141 CD GLN A 72 -11.654 1.056 -0.339 1.00 0.00 C ATOM 1142 OE1 GLN A 72 -12.866 1.203 -0.188 1.00 0.00 O ATOM 1143 NE2 GLN A 72 -11.062 1.156 -1.524 1.00 0.00 N ATOM 0 H GLN A 72 -8.127 3.335 2.281 1.00 0.00 H new ATOM 0 HA GLN A 72 -8.501 0.498 2.192 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -10.184 2.506 1.921 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -9.669 2.494 0.246 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -10.200 -0.169 0.643 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -11.366 0.567 1.725 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -10.053 1.026 -1.603 1.00 0.00 H new ATOM 0 HE22 GLN A 72 -11.616 1.362 -2.355 1.00 0.00 H new ATOM 1152 N GLU A 73 -7.104 2.013 -0.389 1.00 0.00 N ATOM 1153 CA GLU A 73 -6.308 1.788 -1.588 1.00 0.00 C ATOM 1154 C GLU A 73 -5.059 0.973 -1.264 1.00 0.00 C ATOM 1155 O GLU A 73 -4.691 0.070 -2.009 1.00 0.00 O ATOM 1156 CB GLU A 73 -5.915 3.125 -2.221 1.00 0.00 C ATOM 1157 CG GLU A 73 -6.676 3.441 -3.499 1.00 0.00 C ATOM 1158 CD GLU A 73 -8.167 3.594 -3.267 1.00 0.00 C ATOM 1159 OE1 GLU A 73 -8.765 2.695 -2.638 1.00 0.00 O ATOM 1160 OE2 GLU A 73 -8.736 4.610 -3.715 1.00 0.00 O ATOM 0 H GLU A 73 -7.263 2.996 -0.167 1.00 0.00 H new ATOM 0 HA GLU A 73 -6.912 1.224 -2.298 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -6.087 3.923 -1.499 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -4.847 3.115 -2.437 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -6.283 4.360 -3.933 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -6.505 2.647 -4.225 1.00 0.00 H new ATOM 1167 N LEU A 74 -4.425 1.287 -0.140 1.00 0.00 N ATOM 1168 CA LEU A 74 -3.232 0.555 0.272 1.00 0.00 C ATOM 1169 C LEU A 74 -3.596 -0.880 0.648 1.00 0.00 C ATOM 1170 O LEU A 74 -2.922 -1.828 0.247 1.00 0.00 O ATOM 1171 CB LEU A 74 -2.559 1.257 1.454 1.00 0.00 C ATOM 1172 CG LEU A 74 -1.854 2.571 1.111 1.00 0.00 C ATOM 1173 CD1 LEU A 74 -1.792 3.478 2.332 1.00 0.00 C ATOM 1174 CD2 LEU A 74 -0.456 2.302 0.573 1.00 0.00 C ATOM 0 H LEU A 74 -4.711 2.032 0.495 1.00 0.00 H new ATOM 0 HA LEU A 74 -2.532 0.531 -0.564 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -3.313 1.455 2.216 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -1.831 0.576 1.895 1.00 0.00 H new ATOM 0 HG LEU A 74 -2.429 3.078 0.336 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -1.287 4.408 2.069 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -2.803 3.698 2.674 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -1.241 2.978 3.129 1.00 0.00 H new ATOM 0 HD21 LEU A 74 0.030 3.248 0.334 1.00 0.00 H new ATOM 0 HD22 LEU A 74 0.128 1.773 1.326 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -0.524 1.692 -0.328 1.00 0.00 H new ATOM 1186 N ASN A 75 -4.656 -1.027 1.443 1.00 0.00 N ATOM 1187 CA ASN A 75 -5.093 -2.347 1.898 1.00 0.00 C ATOM 1188 C ASN A 75 -5.325 -3.288 0.719 1.00 0.00 C ATOM 1189 O ASN A 75 -4.947 -4.459 0.769 1.00 0.00 O ATOM 1190 CB ASN A 75 -6.342 -2.235 2.800 1.00 0.00 C ATOM 1191 CG ASN A 75 -7.666 -2.512 2.098 1.00 0.00 C ATOM 1192 OD1 ASN A 75 -7.775 -3.406 1.259 1.00 0.00 O ATOM 1193 ND2 ASN A 75 -8.692 -1.755 2.466 1.00 0.00 N ATOM 0 H ASN A 75 -5.226 -0.253 1.784 1.00 0.00 H new ATOM 0 HA ASN A 75 -4.294 -2.779 2.501 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -6.236 -2.931 3.632 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -6.376 -1.232 3.226 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -9.611 -1.904 2.050 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -8.561 -1.024 3.165 1.00 0.00 H new ATOM 1200 N THR A 76 -5.931 -2.773 -0.343 1.00 0.00 N ATOM 1201 CA THR A 76 -6.183 -3.585 -1.526 1.00 0.00 C ATOM 1202 C THR A 76 -4.922 -3.666 -2.376 1.00 0.00 C ATOM 1203 O THR A 76 -4.493 -4.744 -2.765 1.00 0.00 O ATOM 1204 CB THR A 76 -7.333 -2.999 -2.347 1.00 0.00 C ATOM 1205 OG1 THR A 76 -7.407 -1.593 -2.180 1.00 0.00 O ATOM 1206 CG2 THR A 76 -8.684 -3.579 -1.985 1.00 0.00 C ATOM 0 H THR A 76 -6.254 -1.808 -0.410 1.00 0.00 H new ATOM 0 HA THR A 76 -6.465 -4.588 -1.206 1.00 0.00 H new ATOM 0 HB THR A 76 -7.110 -3.260 -3.381 1.00 0.00 H new ATOM 0 HG1 THR A 76 -7.748 -1.387 -1.285 1.00 0.00 H new ATOM 0 HG21 THR A 76 -9.455 -3.120 -2.604 1.00 0.00 H new ATOM 0 HG22 THR A 76 -8.675 -4.656 -2.155 1.00 0.00 H new ATOM 0 HG23 THR A 76 -8.896 -3.379 -0.935 1.00 0.00 H new ATOM 1214 N LEU A 77 -4.347 -2.505 -2.664 1.00 0.00 N ATOM 1215 CA LEU A 77 -3.137 -2.415 -3.480 1.00 0.00 C ATOM 1216 C LEU A 77 -2.062 -3.395 -3.005 1.00 0.00 C ATOM 1217 O LEU A 77 -1.436 -4.082 -3.812 1.00 0.00 O ATOM 1218 CB LEU A 77 -2.590 -0.984 -3.442 1.00 0.00 C ATOM 1219 CG LEU A 77 -3.289 0.004 -4.381 1.00 0.00 C ATOM 1220 CD1 LEU A 77 -2.786 1.419 -4.138 1.00 0.00 C ATOM 1221 CD2 LEU A 77 -3.075 -0.398 -5.833 1.00 0.00 C ATOM 0 H LEU A 77 -4.701 -1.604 -2.343 1.00 0.00 H new ATOM 0 HA LEU A 77 -3.403 -2.681 -4.503 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -2.668 -0.609 -2.422 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -1.529 -1.010 -3.692 1.00 0.00 H new ATOM 0 HG LEU A 77 -4.358 -0.020 -4.172 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -3.294 2.107 -4.814 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -2.991 1.706 -3.107 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -1.712 1.459 -4.319 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -3.578 0.315 -6.486 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -2.008 -0.403 -6.056 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -3.485 -1.394 -5.999 1.00 0.00 H new ATOM 1233 N ALA A 78 -1.855 -3.450 -1.694 1.00 0.00 N ATOM 1234 CA ALA A 78 -0.859 -4.343 -1.102 1.00 0.00 C ATOM 1235 C ALA A 78 -1.330 -5.800 -1.081 1.00 0.00 C ATOM 1236 O ALA A 78 -0.518 -6.723 -1.021 1.00 0.00 O ATOM 1237 CB ALA A 78 -0.515 -3.880 0.306 1.00 0.00 C ATOM 0 H ALA A 78 -2.365 -2.884 -1.016 1.00 0.00 H new ATOM 0 HA ALA A 78 0.033 -4.300 -1.727 1.00 0.00 H new ATOM 0 HB1 ALA A 78 0.227 -4.551 0.739 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -0.111 -2.868 0.268 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -1.414 -3.889 0.922 1.00 0.00 H new ATOM 1243 N ASN A 79 -2.644 -5.995 -1.087 1.00 0.00 N ATOM 1244 CA ASN A 79 -3.229 -7.337 -1.023 1.00 0.00 C ATOM 1245 C ASN A 79 -2.644 -8.292 -2.071 1.00 0.00 C ATOM 1246 O ASN A 79 -2.251 -9.409 -1.736 1.00 0.00 O ATOM 1247 CB ASN A 79 -4.748 -7.253 -1.189 1.00 0.00 C ATOM 1248 CG ASN A 79 -5.492 -7.984 -0.088 1.00 0.00 C ATOM 1249 OD1 ASN A 79 -5.966 -7.371 0.868 1.00 0.00 O ATOM 1250 ND2 ASN A 79 -5.597 -9.301 -0.217 1.00 0.00 N ATOM 0 H ASN A 79 -3.329 -5.241 -1.136 1.00 0.00 H new ATOM 0 HA ASN A 79 -2.980 -7.745 -0.043 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -5.052 -6.206 -1.196 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -5.029 -7.674 -2.155 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -6.086 -9.846 0.493 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -5.189 -9.768 -1.026 1.00 0.00 H new ATOM 1257 N PRO A 80 -2.585 -7.888 -3.352 1.00 0.00 N ATOM 1258 CA PRO A 80 -2.055 -8.744 -4.419 1.00 0.00 C ATOM 1259 C PRO A 80 -0.551 -8.966 -4.310 1.00 0.00 C ATOM 1260 O PRO A 80 -0.038 -10.000 -4.743 1.00 0.00 O ATOM 1261 CB PRO A 80 -2.387 -7.973 -5.697 1.00 0.00 C ATOM 1262 CG PRO A 80 -2.488 -6.553 -5.264 1.00 0.00 C ATOM 1263 CD PRO A 80 -3.041 -6.589 -3.868 1.00 0.00 C ATOM 0 HA PRO A 80 -2.488 -9.743 -4.380 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -1.611 -8.103 -6.451 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -3.321 -8.320 -6.138 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -1.512 -6.067 -5.286 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -3.141 -5.987 -5.929 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -2.664 -5.763 -3.265 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -4.128 -6.515 -3.865 1.00 0.00 H new ATOM 1271 N PHE A 81 0.159 -8.004 -3.727 1.00 0.00 N ATOM 1272 CA PHE A 81 1.602 -8.114 -3.569 1.00 0.00 C ATOM 1273 C PHE A 81 1.939 -9.097 -2.454 1.00 0.00 C ATOM 1274 O PHE A 81 2.693 -10.047 -2.657 1.00 0.00 O ATOM 1275 CB PHE A 81 2.167 -6.725 -3.244 1.00 0.00 C ATOM 1276 CG PHE A 81 3.671 -6.602 -3.264 1.00 0.00 C ATOM 1277 CD1 PHE A 81 4.501 -7.715 -3.287 1.00 0.00 C ATOM 1278 CD2 PHE A 81 4.253 -5.346 -3.251 1.00 0.00 C ATOM 1279 CE1 PHE A 81 5.875 -7.571 -3.296 1.00 0.00 C ATOM 1280 CE2 PHE A 81 5.624 -5.196 -3.259 1.00 0.00 C ATOM 1281 CZ PHE A 81 6.438 -6.311 -3.281 1.00 0.00 C ATOM 0 H PHE A 81 -0.242 -7.142 -3.358 1.00 0.00 H new ATOM 0 HA PHE A 81 2.046 -8.486 -4.492 1.00 0.00 H new ATOM 0 HB2 PHE A 81 1.754 -6.011 -3.956 1.00 0.00 H new ATOM 0 HB3 PHE A 81 1.811 -6.432 -2.256 1.00 0.00 H new ATOM 0 HD1 PHE A 81 4.068 -8.704 -3.298 1.00 0.00 H new ATOM 0 HD2 PHE A 81 3.623 -4.469 -3.234 1.00 0.00 H new ATOM 0 HE1 PHE A 81 6.509 -8.445 -3.315 1.00 0.00 H new ATOM 0 HE2 PHE A 81 6.060 -4.208 -3.248 1.00 0.00 H new ATOM 0 HZ PHE A 81 7.512 -6.198 -3.286 1.00 0.00 H new ATOM 1291 N LEU A 82 1.379 -8.864 -1.274 1.00 0.00 N ATOM 1292 CA LEU A 82 1.635 -9.729 -0.132 1.00 0.00 C ATOM 1293 C LEU A 82 1.287 -11.176 -0.444 1.00 0.00 C ATOM 1294 O LEU A 82 2.031 -12.085 -0.085 1.00 0.00 O ATOM 1295 CB LEU A 82 0.851 -9.248 1.090 1.00 0.00 C ATOM 1296 CG LEU A 82 1.110 -7.795 1.491 1.00 0.00 C ATOM 1297 CD1 LEU A 82 0.215 -7.394 2.652 1.00 0.00 C ATOM 1298 CD2 LEU A 82 2.576 -7.596 1.850 1.00 0.00 C ATOM 0 H LEU A 82 0.747 -8.086 -1.084 1.00 0.00 H new ATOM 0 HA LEU A 82 2.701 -9.679 0.090 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -0.214 -9.370 0.891 1.00 0.00 H new ATOM 0 HB3 LEU A 82 1.094 -9.892 1.936 1.00 0.00 H new ATOM 0 HG LEU A 82 0.874 -7.155 0.641 1.00 0.00 H new ATOM 0 HD11 LEU A 82 0.414 -6.357 2.923 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -0.830 -7.499 2.359 1.00 0.00 H new ATOM 0 HD13 LEU A 82 0.418 -8.038 3.507 1.00 0.00 H new ATOM 0 HD21 LEU A 82 2.743 -6.557 2.133 1.00 0.00 H new ATOM 0 HD22 LEU A 82 2.838 -8.246 2.685 1.00 0.00 H new ATOM 0 HD23 LEU A 82 3.198 -7.842 0.989 1.00 0.00 H new ATOM 1310 N ALA A 83 0.163 -11.395 -1.114 1.00 0.00 N ATOM 1311 CA ALA A 83 -0.246 -12.747 -1.461 1.00 0.00 C ATOM 1312 C ALA A 83 0.692 -13.338 -2.501 1.00 0.00 C ATOM 1313 O ALA A 83 1.119 -14.486 -2.385 1.00 0.00 O ATOM 1314 CB ALA A 83 -1.683 -12.761 -1.961 1.00 0.00 C ATOM 0 H ALA A 83 -0.475 -10.662 -1.425 1.00 0.00 H new ATOM 0 HA ALA A 83 -0.192 -13.363 -0.563 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -1.970 -13.781 -2.215 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -2.343 -12.382 -1.181 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -1.767 -12.129 -2.845 1.00 0.00 H new ATOM 1320 N LYS A 84 1.022 -12.544 -3.511 1.00 0.00 N ATOM 1321 CA LYS A 84 1.926 -12.992 -4.561 1.00 0.00 C ATOM 1322 C LYS A 84 3.286 -13.352 -3.970 1.00 0.00 C ATOM 1323 O LYS A 84 3.893 -14.361 -4.337 1.00 0.00 O ATOM 1324 CB LYS A 84 2.092 -11.905 -5.626 1.00 0.00 C ATOM 1325 CG LYS A 84 1.112 -12.030 -6.782 1.00 0.00 C ATOM 1326 CD LYS A 84 1.658 -11.385 -8.046 1.00 0.00 C ATOM 1327 CE LYS A 84 1.403 -9.886 -8.061 1.00 0.00 C ATOM 1328 NZ LYS A 84 2.509 -9.140 -8.725 1.00 0.00 N ATOM 0 H LYS A 84 0.679 -11.590 -3.625 1.00 0.00 H new ATOM 0 HA LYS A 84 1.497 -13.878 -5.029 1.00 0.00 H new ATOM 0 HB2 LYS A 84 1.967 -10.928 -5.159 1.00 0.00 H new ATOM 0 HB3 LYS A 84 3.109 -11.943 -6.017 1.00 0.00 H new ATOM 0 HG2 LYS A 84 0.902 -13.083 -6.971 1.00 0.00 H new ATOM 0 HG3 LYS A 84 0.166 -11.560 -6.511 1.00 0.00 H new ATOM 0 HD2 LYS A 84 2.729 -11.574 -8.119 1.00 0.00 H new ATOM 0 HD3 LYS A 84 1.194 -11.843 -8.919 1.00 0.00 H new ATOM 0 HE2 LYS A 84 0.466 -9.683 -8.579 1.00 0.00 H new ATOM 0 HE3 LYS A 84 1.286 -9.528 -7.038 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 3.027 -8.583 -8.016 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 3.159 -9.814 -9.178 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 2.114 -8.502 -9.445 1.00 0.00 H new ATOM 1342 N TYR A 85 3.749 -12.528 -3.034 1.00 0.00 N ATOM 1343 CA TYR A 85 5.030 -12.785 -2.397 1.00 0.00 C ATOM 1344 C TYR A 85 4.915 -13.981 -1.463 1.00 0.00 C ATOM 1345 O TYR A 85 5.722 -14.908 -1.529 1.00 0.00 O ATOM 1346 CB TYR A 85 5.535 -11.555 -1.646 1.00 0.00 C ATOM 1347 CG TYR A 85 7.042 -11.461 -1.640 1.00 0.00 C ATOM 1348 CD1 TYR A 85 7.724 -10.911 -2.717 1.00 0.00 C ATOM 1349 CD2 TYR A 85 7.783 -11.944 -0.570 1.00 0.00 C ATOM 1350 CE1 TYR A 85 9.102 -10.844 -2.729 1.00 0.00 C ATOM 1351 CE2 TYR A 85 9.163 -11.877 -0.571 1.00 0.00 C ATOM 1352 CZ TYR A 85 9.817 -11.328 -1.654 1.00 0.00 C ATOM 1353 OH TYR A 85 11.189 -11.266 -1.665 1.00 0.00 O ATOM 0 H TYR A 85 3.264 -11.692 -2.707 1.00 0.00 H new ATOM 0 HA TYR A 85 5.759 -13.014 -3.174 1.00 0.00 H new ATOM 0 HB2 TYR A 85 5.120 -10.657 -2.104 1.00 0.00 H new ATOM 0 HB3 TYR A 85 5.172 -11.586 -0.619 1.00 0.00 H new ATOM 0 HD1 TYR A 85 7.166 -10.529 -3.560 1.00 0.00 H new ATOM 0 HD2 TYR A 85 7.273 -12.379 0.277 1.00 0.00 H new ATOM 0 HE1 TYR A 85 9.618 -10.415 -3.575 1.00 0.00 H new ATOM 0 HE2 TYR A 85 9.726 -12.252 0.271 1.00 0.00 H new ATOM 0 HH TYR A 85 11.556 -12.062 -1.226 1.00 0.00 H new ATOM 1363 N ARG A 86 3.926 -13.949 -0.575 1.00 0.00 N ATOM 1364 CA ARG A 86 3.744 -15.032 0.382 1.00 0.00 C ATOM 1365 C ARG A 86 3.664 -16.366 -0.350 1.00 0.00 C ATOM 1366 O ARG A 86 4.360 -17.315 0.007 1.00 0.00 O ATOM 1367 CB ARG A 86 2.476 -14.808 1.212 1.00 0.00 C ATOM 1368 CG ARG A 86 2.742 -14.180 2.571 1.00 0.00 C ATOM 1369 CD ARG A 86 1.720 -13.104 2.901 1.00 0.00 C ATOM 1370 NE ARG A 86 0.478 -13.667 3.430 1.00 0.00 N ATOM 1371 CZ ARG A 86 0.294 -13.988 4.709 1.00 0.00 C ATOM 1372 NH1 ARG A 86 1.268 -13.814 5.593 1.00 0.00 N ATOM 1373 NH2 ARG A 86 -0.870 -14.488 5.103 1.00 0.00 N ATOM 0 H ARG A 86 3.246 -13.193 -0.499 1.00 0.00 H new ATOM 0 HA ARG A 86 4.600 -15.048 1.057 1.00 0.00 H new ATOM 0 HB2 ARG A 86 1.794 -14.168 0.652 1.00 0.00 H new ATOM 0 HB3 ARG A 86 1.972 -15.764 1.355 1.00 0.00 H new ATOM 0 HG2 ARG A 86 2.719 -14.952 3.340 1.00 0.00 H new ATOM 0 HG3 ARG A 86 3.743 -13.748 2.583 1.00 0.00 H new ATOM 0 HD2 ARG A 86 2.144 -12.414 3.630 1.00 0.00 H new ATOM 0 HD3 ARG A 86 1.502 -12.525 2.004 1.00 0.00 H new ATOM 0 HE ARG A 86 -0.293 -13.823 2.781 1.00 0.00 H new ATOM 0 HH11 ARG A 86 2.165 -13.432 5.294 1.00 0.00 H new ATOM 0 HH12 ARG A 86 1.119 -14.062 6.571 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -1.621 -14.626 4.427 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -1.014 -14.735 6.082 1.00 0.00 H new ATOM 1387 N ASP A 87 2.834 -16.437 -1.385 1.00 0.00 N ATOM 1388 CA ASP A 87 2.706 -17.661 -2.160 1.00 0.00 C ATOM 1389 C ASP A 87 4.048 -18.029 -2.795 1.00 0.00 C ATOM 1390 O ASP A 87 4.403 -19.204 -2.879 1.00 0.00 O ATOM 1391 CB ASP A 87 1.617 -17.507 -3.233 1.00 0.00 C ATOM 1392 CG ASP A 87 2.166 -17.145 -4.602 1.00 0.00 C ATOM 1393 OD1 ASP A 87 2.809 -18.010 -5.233 1.00 0.00 O ATOM 1394 OD2 ASP A 87 1.954 -15.996 -5.041 1.00 0.00 O ATOM 0 H ASP A 87 2.245 -15.667 -1.703 1.00 0.00 H new ATOM 0 HA ASP A 87 2.410 -18.469 -1.491 1.00 0.00 H new ATOM 0 HB2 ASP A 87 1.058 -18.440 -3.309 1.00 0.00 H new ATOM 0 HB3 ASP A 87 0.912 -16.738 -2.917 1.00 0.00 H new ATOM 1399 N PHE A 88 4.794 -17.014 -3.239 1.00 0.00 N ATOM 1400 CA PHE A 88 6.096 -17.242 -3.858 1.00 0.00 C ATOM 1401 C PHE A 88 7.065 -17.899 -2.880 1.00 0.00 C ATOM 1402 O PHE A 88 7.797 -18.822 -3.238 1.00 0.00 O ATOM 1403 CB PHE A 88 6.702 -15.924 -4.355 1.00 0.00 C ATOM 1404 CG PHE A 88 8.097 -16.088 -4.895 1.00 0.00 C ATOM 1405 CD1 PHE A 88 8.315 -16.801 -6.062 1.00 0.00 C ATOM 1406 CD2 PHE A 88 9.191 -15.548 -4.230 1.00 0.00 C ATOM 1407 CE1 PHE A 88 9.592 -16.971 -6.557 1.00 0.00 C ATOM 1408 CE2 PHE A 88 10.469 -15.719 -4.719 1.00 0.00 C ATOM 1409 CZ PHE A 88 10.670 -16.430 -5.883 1.00 0.00 C ATOM 0 H PHE A 88 4.518 -16.034 -3.181 1.00 0.00 H new ATOM 0 HA PHE A 88 5.938 -17.910 -4.704 1.00 0.00 H new ATOM 0 HB2 PHE A 88 6.063 -15.507 -5.133 1.00 0.00 H new ATOM 0 HB3 PHE A 88 6.717 -15.205 -3.536 1.00 0.00 H new ATOM 0 HD1 PHE A 88 7.476 -17.229 -6.591 1.00 0.00 H new ATOM 0 HD2 PHE A 88 9.039 -14.988 -3.319 1.00 0.00 H new ATOM 0 HE1 PHE A 88 9.749 -17.526 -7.470 1.00 0.00 H new ATOM 0 HE2 PHE A 88 11.311 -15.297 -4.191 1.00 0.00 H new ATOM 0 HZ PHE A 88 11.670 -16.564 -6.268 1.00 0.00 H new ATOM 1419 N LEU A 89 7.078 -17.401 -1.650 1.00 0.00 N ATOM 1420 CA LEU A 89 7.972 -17.922 -0.624 1.00 0.00 C ATOM 1421 C LEU A 89 7.576 -19.333 -0.198 1.00 0.00 C ATOM 1422 O LEU A 89 8.431 -20.207 -0.053 1.00 0.00 O ATOM 1423 CB LEU A 89 7.979 -16.990 0.592 1.00 0.00 C ATOM 1424 CG LEU A 89 9.368 -16.560 1.069 1.00 0.00 C ATOM 1425 CD1 LEU A 89 9.789 -15.267 0.391 1.00 0.00 C ATOM 1426 CD2 LEU A 89 9.384 -16.401 2.583 1.00 0.00 C ATOM 0 H LEU A 89 6.479 -16.636 -1.339 1.00 0.00 H new ATOM 0 HA LEU A 89 8.974 -17.970 -1.050 1.00 0.00 H new ATOM 0 HB2 LEU A 89 7.402 -16.097 0.350 1.00 0.00 H new ATOM 0 HB3 LEU A 89 7.466 -17.488 1.415 1.00 0.00 H new ATOM 0 HG LEU A 89 10.082 -17.337 0.796 1.00 0.00 H new ATOM 0 HD11 LEU A 89 10.779 -14.977 0.743 1.00 0.00 H new ATOM 0 HD12 LEU A 89 9.816 -15.414 -0.689 1.00 0.00 H new ATOM 0 HD13 LEU A 89 9.074 -14.480 0.632 1.00 0.00 H new ATOM 0 HD21 LEU A 89 10.379 -16.095 2.906 1.00 0.00 H new ATOM 0 HD22 LEU A 89 8.658 -15.643 2.877 1.00 0.00 H new ATOM 0 HD23 LEU A 89 9.127 -17.351 3.051 1.00 0.00 H new ATOM 1438 N LYS A 90 6.279 -19.557 -0.006 1.00 0.00 N ATOM 1439 CA LYS A 90 5.784 -20.869 0.396 1.00 0.00 C ATOM 1440 C LYS A 90 5.891 -21.870 -0.751 1.00 0.00 C ATOM 1441 O LYS A 90 6.014 -23.075 -0.529 1.00 0.00 O ATOM 1442 CB LYS A 90 4.332 -20.766 0.867 1.00 0.00 C ATOM 1443 CG LYS A 90 4.191 -20.308 2.309 1.00 0.00 C ATOM 1444 CD LYS A 90 2.823 -20.658 2.874 1.00 0.00 C ATOM 1445 CE LYS A 90 1.892 -19.456 2.860 1.00 0.00 C ATOM 1446 NZ LYS A 90 0.479 -19.846 3.121 1.00 0.00 N ATOM 0 H LYS A 90 5.554 -18.849 -0.122 1.00 0.00 H new ATOM 0 HA LYS A 90 6.402 -21.225 1.220 1.00 0.00 H new ATOM 0 HB2 LYS A 90 3.797 -20.071 0.220 1.00 0.00 H new ATOM 0 HB3 LYS A 90 3.853 -21.739 0.755 1.00 0.00 H new ATOM 0 HG2 LYS A 90 4.967 -20.773 2.917 1.00 0.00 H new ATOM 0 HG3 LYS A 90 4.345 -19.230 2.366 1.00 0.00 H new ATOM 0 HD2 LYS A 90 2.383 -21.467 2.291 1.00 0.00 H new ATOM 0 HD3 LYS A 90 2.932 -21.023 3.895 1.00 0.00 H new ATOM 0 HE2 LYS A 90 2.215 -18.737 3.613 1.00 0.00 H new ATOM 0 HE3 LYS A 90 1.958 -18.957 1.893 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -0.124 -18.999 3.103 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 0.162 -20.512 2.388 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 0.411 -20.300 4.054 1.00 0.00 H new ATOM 1460 N SER A 91 5.835 -21.361 -1.979 1.00 0.00 N ATOM 1461 CA SER A 91 5.917 -22.209 -3.163 1.00 0.00 C ATOM 1462 C SER A 91 7.228 -21.988 -3.913 1.00 0.00 C ATOM 1463 O SER A 91 7.229 -21.630 -5.091 1.00 0.00 O ATOM 1464 CB SER A 91 4.732 -21.938 -4.092 1.00 0.00 C ATOM 1465 OG SER A 91 3.510 -22.316 -3.483 1.00 0.00 O ATOM 0 H SER A 91 5.733 -20.366 -2.179 1.00 0.00 H new ATOM 0 HA SER A 91 5.885 -23.247 -2.833 1.00 0.00 H new ATOM 0 HB2 SER A 91 4.702 -20.879 -4.349 1.00 0.00 H new ATOM 0 HB3 SER A 91 4.863 -22.488 -5.024 1.00 0.00 H new ATOM 0 HG SER A 91 2.768 -22.131 -4.096 1.00 0.00 H new