USER MOD reduce.3.24.130724 H: found=0, std=0, add=610, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 611 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 70 SER OG : rot -100:sc= 0.382 USER MOD Set 1.2: A 72 THR OG1 : rot 180:sc= 0.00168 USER MOD Single : A 6 GLN : amide:sc= -0.876 K(o=-0.88,f=-0.23) USER MOD Single : A 7 GLN : amide:sc= -0.191 K(o=-0.19,f=-1.5!) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 18 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 MET CE :methyl 153:sc= -3.05! (180deg=-4.55!) USER MOD Single : A 38 SER OG : rot 180:sc= -2.13! USER MOD Single : A 39 THR OG1 : rot 180:sc= 0.057 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 MET CE :methyl -131:sc= -6.46! (180deg=-11.2!) USER MOD Single : A 48 MET CE :methyl -179:sc= 0 (180deg=-0.00279) USER MOD Single : A 51 GLN : amide:sc= -0.261 X(o=-0.26,f=-0.7) USER MOD Single : A 52 ASN : amide:sc= -1.57 K(o=-1.6,f=-2.9!) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 MET CE :methyl -169:sc= -0.351 (180deg=-0.528) USER MOD Single : A 82 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 85 GLN : amide:sc= -0.006 X(o=-0.006,f=0) USER MOD Single : A 86 MET CE :methyl -153:sc= -10.6! (180deg=-14.2!) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 55 N ASP A 5 -14.395 5.499 -13.462 1.00 0.00 N ATOM 56 CA ASP A 5 -14.331 6.195 -12.150 1.00 0.00 C ATOM 57 C ASP A 5 -13.068 5.737 -11.369 1.00 0.00 C ATOM 58 O ASP A 5 -13.110 5.614 -10.134 1.00 0.00 O ATOM 59 CB ASP A 5 -15.634 5.967 -11.325 1.00 0.00 C ATOM 60 CG ASP A 5 -16.259 4.565 -11.423 1.00 0.00 C ATOM 61 OD1 ASP A 5 -15.662 3.598 -10.900 1.00 0.00 O ATOM 62 OD2 ASP A 5 -17.347 4.427 -12.026 1.00 0.00 O ATOM 0 HA ASP A 5 -14.253 7.268 -12.326 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -15.417 6.174 -10.277 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -16.376 6.697 -11.647 1.00 0.00 H new ATOM 67 N GLN A 6 -11.964 5.464 -12.087 1.00 0.00 N ATOM 68 CA GLN A 6 -10.718 4.910 -11.497 1.00 0.00 C ATOM 69 C GLN A 6 -9.850 6.097 -10.995 1.00 0.00 C ATOM 70 O GLN A 6 -9.413 6.117 -9.838 1.00 0.00 O ATOM 71 CB GLN A 6 -9.973 4.027 -12.537 1.00 0.00 C ATOM 72 CG GLN A 6 -10.318 2.517 -12.522 1.00 0.00 C ATOM 73 CD GLN A 6 -9.319 1.642 -11.745 1.00 0.00 C ATOM 74 OE1 GLN A 6 -9.238 1.699 -10.518 1.00 0.00 O ATOM 75 NE2 GLN A 6 -8.544 0.816 -12.433 1.00 0.00 N ATOM 0 H GLN A 6 -11.904 5.619 -13.093 1.00 0.00 H new ATOM 0 HA GLN A 6 -10.945 4.262 -10.650 1.00 0.00 H new ATOM 0 HB2 GLN A 6 -10.185 4.417 -13.532 1.00 0.00 H new ATOM 0 HB3 GLN A 6 -8.901 4.135 -12.374 1.00 0.00 H new ATOM 0 HG2 GLN A 6 -11.309 2.388 -12.087 1.00 0.00 H new ATOM 0 HG3 GLN A 6 -10.372 2.159 -13.550 1.00 0.00 H new ATOM 0 HE21 GLN A 6 -8.618 0.775 -13.450 1.00 0.00 H new ATOM 0 HE22 GLN A 6 -7.874 0.221 -11.946 1.00 0.00 H new ATOM 84 N GLN A 7 -9.601 7.072 -11.890 1.00 0.00 N ATOM 85 CA GLN A 7 -8.701 8.221 -11.612 1.00 0.00 C ATOM 86 C GLN A 7 -9.536 9.420 -11.085 1.00 0.00 C ATOM 87 O GLN A 7 -9.117 10.579 -11.228 1.00 0.00 O ATOM 88 CB GLN A 7 -7.930 8.655 -12.896 1.00 0.00 C ATOM 89 CG GLN A 7 -8.754 9.432 -13.948 1.00 0.00 C ATOM 90 CD GLN A 7 -9.064 8.593 -15.199 1.00 0.00 C ATOM 91 OE1 GLN A 7 -8.297 7.711 -15.583 1.00 0.00 O ATOM 92 NE2 GLN A 7 -10.182 8.849 -15.863 1.00 0.00 N ATOM 0 H GLN A 7 -10.013 7.091 -12.823 1.00 0.00 H new ATOM 0 HA GLN A 7 -7.975 7.911 -10.861 1.00 0.00 H new ATOM 0 HB2 GLN A 7 -7.084 9.273 -12.597 1.00 0.00 H new ATOM 0 HB3 GLN A 7 -7.521 7.763 -13.370 1.00 0.00 H new ATOM 0 HG2 GLN A 7 -9.689 9.764 -13.498 1.00 0.00 H new ATOM 0 HG3 GLN A 7 -8.207 10.327 -14.243 1.00 0.00 H new ATOM 0 HE21 GLN A 7 -10.812 9.582 -15.537 1.00 0.00 H new ATOM 0 HE22 GLN A 7 -10.412 8.313 -16.700 1.00 0.00 H new ATOM 101 N ALA A 8 -10.708 9.145 -10.485 1.00 0.00 N ATOM 102 CA ALA A 8 -11.608 10.195 -9.937 1.00 0.00 C ATOM 103 C ALA A 8 -11.032 10.744 -8.603 1.00 0.00 C ATOM 104 O ALA A 8 -10.939 11.962 -8.409 1.00 0.00 O ATOM 105 CB ALA A 8 -13.020 9.606 -9.755 1.00 0.00 C ATOM 0 H ALA A 8 -11.063 8.197 -10.363 1.00 0.00 H new ATOM 0 HA ALA A 8 -11.676 11.033 -10.631 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -13.684 10.371 -9.353 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -13.399 9.265 -10.719 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -12.977 8.764 -9.064 1.00 0.00 H new ATOM 111 N GLU A 9 -10.659 9.825 -7.693 1.00 0.00 N ATOM 112 CA GLU A 9 -10.142 10.173 -6.343 1.00 0.00 C ATOM 113 C GLU A 9 -8.642 10.562 -6.456 1.00 0.00 C ATOM 114 O GLU A 9 -8.181 11.504 -5.801 1.00 0.00 O ATOM 115 CB GLU A 9 -10.361 9.017 -5.325 1.00 0.00 C ATOM 116 CG GLU A 9 -11.633 8.158 -5.522 1.00 0.00 C ATOM 117 CD GLU A 9 -12.908 8.995 -5.650 1.00 0.00 C ATOM 118 OE1 GLU A 9 -13.080 9.959 -4.872 1.00 0.00 O ATOM 119 OE2 GLU A 9 -13.746 8.691 -6.528 1.00 0.00 O ATOM 0 H GLU A 9 -10.705 8.821 -7.866 1.00 0.00 H new ATOM 0 HA GLU A 9 -10.702 11.026 -5.960 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -9.494 8.358 -5.365 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -10.390 9.445 -4.323 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -11.516 7.546 -6.416 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -11.737 7.475 -4.679 1.00 0.00 H new ATOM 126 N ALA A 10 -7.898 9.831 -7.307 1.00 0.00 N ATOM 127 CA ALA A 10 -6.430 10.013 -7.464 1.00 0.00 C ATOM 128 C ALA A 10 -6.120 11.355 -8.182 1.00 0.00 C ATOM 129 O ALA A 10 -5.042 11.933 -7.992 1.00 0.00 O ATOM 130 CB ALA A 10 -5.855 8.807 -8.233 1.00 0.00 C ATOM 0 H ALA A 10 -8.287 9.101 -7.904 1.00 0.00 H new ATOM 0 HA ALA A 10 -5.955 10.060 -6.484 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -4.779 8.932 -8.353 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -6.054 7.892 -7.676 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -6.325 8.744 -9.215 1.00 0.00 H new ATOM 136 N ARG A 11 -7.060 11.817 -9.026 1.00 0.00 N ATOM 137 CA ARG A 11 -6.878 13.026 -9.875 1.00 0.00 C ATOM 138 C ARG A 11 -6.846 14.272 -8.948 1.00 0.00 C ATOM 139 O ARG A 11 -6.001 15.160 -9.116 1.00 0.00 O ATOM 140 CB ARG A 11 -8.019 13.134 -10.926 1.00 0.00 C ATOM 141 CG ARG A 11 -7.556 13.453 -12.367 1.00 0.00 C ATOM 142 CD ARG A 11 -8.202 14.734 -12.929 1.00 0.00 C ATOM 143 NE ARG A 11 -7.432 15.283 -14.073 1.00 0.00 N ATOM 144 CZ ARG A 11 -7.961 16.005 -15.082 1.00 0.00 C ATOM 145 NH1 ARG A 11 -9.197 15.786 -15.510 1.00 0.00 N ATOM 146 NH2 ARG A 11 -7.243 16.926 -15.711 1.00 0.00 N ATOM 0 H ARG A 11 -7.969 11.369 -9.144 1.00 0.00 H new ATOM 0 HA ARG A 11 -5.940 12.959 -10.427 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -8.571 12.194 -10.938 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -8.715 13.909 -10.605 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -6.472 13.562 -12.380 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -7.800 12.613 -13.017 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -9.222 14.517 -13.248 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -8.267 15.484 -12.141 1.00 0.00 H new ATOM 0 HE ARG A 11 -6.429 15.101 -14.098 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -9.766 15.060 -15.075 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -9.578 16.343 -16.275 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -6.276 17.096 -15.434 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -7.657 17.464 -16.472 1.00 0.00 H new ATOM 160 N ALA A 12 -7.795 14.331 -7.994 1.00 0.00 N ATOM 161 CA ALA A 12 -7.938 15.484 -7.064 1.00 0.00 C ATOM 162 C ALA A 12 -6.746 15.521 -6.069 1.00 0.00 C ATOM 163 O ALA A 12 -6.391 16.589 -5.553 1.00 0.00 O ATOM 164 CB ALA A 12 -9.292 15.382 -6.333 1.00 0.00 C ATOM 0 H ALA A 12 -8.481 13.592 -7.841 1.00 0.00 H new ATOM 0 HA ALA A 12 -7.921 16.419 -7.624 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -9.401 16.225 -5.650 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -10.102 15.399 -7.063 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -9.331 14.450 -5.769 1.00 0.00 H new ATOM 170 N PHE A 13 -6.164 14.343 -5.780 1.00 0.00 N ATOM 171 CA PHE A 13 -5.048 14.204 -4.806 1.00 0.00 C ATOM 172 C PHE A 13 -3.734 14.758 -5.421 1.00 0.00 C ATOM 173 O PHE A 13 -2.966 15.453 -4.743 1.00 0.00 O ATOM 174 CB PHE A 13 -4.939 12.711 -4.376 1.00 0.00 C ATOM 175 CG PHE A 13 -3.539 12.268 -3.907 1.00 0.00 C ATOM 176 CD1 PHE A 13 -2.744 13.126 -3.138 1.00 0.00 C ATOM 177 CD2 PHE A 13 -3.055 10.994 -4.232 1.00 0.00 C ATOM 178 CE1 PHE A 13 -1.490 12.712 -2.693 1.00 0.00 C ATOM 179 CE2 PHE A 13 -1.801 10.584 -3.787 1.00 0.00 C ATOM 180 CZ PHE A 13 -1.021 11.441 -3.015 1.00 0.00 C ATOM 0 H PHE A 13 -6.446 13.461 -6.208 1.00 0.00 H new ATOM 0 HA PHE A 13 -5.240 14.793 -3.909 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -5.650 12.528 -3.571 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -5.240 12.084 -5.215 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -3.104 14.113 -2.888 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -3.657 10.327 -4.831 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -0.882 13.377 -2.098 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -1.433 9.601 -4.041 1.00 0.00 H new ATOM 0 HZ PHE A 13 -0.051 11.120 -2.665 1.00 0.00 H new ATOM 190 N LEU A 14 -3.490 14.432 -6.704 1.00 0.00 N ATOM 191 CA LEU A 14 -2.227 14.779 -7.407 1.00 0.00 C ATOM 192 C LEU A 14 -2.532 15.922 -8.414 1.00 0.00 C ATOM 193 O LEU A 14 -3.674 16.380 -8.526 1.00 0.00 O ATOM 194 CB LEU A 14 -1.624 13.529 -8.116 1.00 0.00 C ATOM 195 CG LEU A 14 -1.722 12.165 -7.371 1.00 0.00 C ATOM 196 CD1 LEU A 14 -1.297 10.975 -8.256 1.00 0.00 C ATOM 197 CD2 LEU A 14 -0.888 12.177 -6.074 1.00 0.00 C ATOM 0 H LEU A 14 -4.155 13.923 -7.286 1.00 0.00 H new ATOM 0 HA LEU A 14 -1.479 15.119 -6.691 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -2.115 13.421 -9.083 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -0.571 13.730 -8.314 1.00 0.00 H new ATOM 0 HG LEU A 14 -2.774 12.031 -7.119 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -1.384 10.049 -7.687 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -1.943 10.925 -9.133 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -0.263 11.109 -8.574 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -0.976 11.211 -5.576 1.00 0.00 H new ATOM 0 HD22 LEU A 14 0.158 12.367 -6.316 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -1.255 12.961 -5.412 1.00 0.00 H new ATOM 209 N SER A 15 -1.483 16.389 -9.117 1.00 0.00 N ATOM 210 CA SER A 15 -1.605 17.437 -10.164 1.00 0.00 C ATOM 211 C SER A 15 -0.964 16.938 -11.488 1.00 0.00 C ATOM 212 O SER A 15 -0.860 15.728 -11.721 1.00 0.00 O ATOM 213 CB SER A 15 -0.962 18.749 -9.657 1.00 0.00 C ATOM 214 OG SER A 15 -1.127 18.900 -8.251 1.00 0.00 O ATOM 0 H SER A 15 -0.528 16.056 -8.981 1.00 0.00 H new ATOM 0 HA SER A 15 -2.655 17.642 -10.371 1.00 0.00 H new ATOM 0 HB2 SER A 15 0.100 18.754 -9.903 1.00 0.00 H new ATOM 0 HB3 SER A 15 -1.412 19.599 -10.171 1.00 0.00 H new ATOM 0 HG SER A 15 -0.709 19.737 -7.961 1.00 0.00 H new ATOM 220 N GLU A 16 -0.573 17.887 -12.358 1.00 0.00 N ATOM 221 CA GLU A 16 0.017 17.579 -13.688 1.00 0.00 C ATOM 222 C GLU A 16 1.543 17.348 -13.512 1.00 0.00 C ATOM 223 O GLU A 16 2.118 16.438 -14.120 1.00 0.00 O ATOM 224 CB GLU A 16 -0.327 18.706 -14.704 1.00 0.00 C ATOM 225 CG GLU A 16 0.363 18.623 -16.087 1.00 0.00 C ATOM 226 CD GLU A 16 -0.213 17.546 -17.012 1.00 0.00 C ATOM 227 OE1 GLU A 16 -1.310 17.021 -16.719 1.00 0.00 O ATOM 228 OE2 GLU A 16 0.430 17.218 -18.033 1.00 0.00 O ATOM 0 H GLU A 16 -0.653 18.886 -12.167 1.00 0.00 H new ATOM 0 HA GLU A 16 -0.409 16.665 -14.102 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -1.406 18.707 -14.860 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -0.070 19.664 -14.251 1.00 0.00 H new ATOM 0 HG2 GLU A 16 0.281 19.592 -16.580 1.00 0.00 H new ATOM 0 HG3 GLU A 16 1.425 18.429 -15.940 1.00 0.00 H new ATOM 235 N GLU A 17 2.176 18.191 -12.671 1.00 0.00 N ATOM 236 CA GLU A 17 3.651 18.179 -12.473 1.00 0.00 C ATOM 237 C GLU A 17 3.999 17.048 -11.468 1.00 0.00 C ATOM 238 O GLU A 17 5.012 16.356 -11.622 1.00 0.00 O ATOM 239 CB GLU A 17 4.161 19.582 -12.030 1.00 0.00 C ATOM 240 CG GLU A 17 4.227 20.672 -13.127 1.00 0.00 C ATOM 241 CD GLU A 17 3.676 22.034 -12.691 1.00 0.00 C ATOM 242 OE1 GLU A 17 2.448 22.250 -12.789 1.00 0.00 O ATOM 243 OE2 GLU A 17 4.470 22.892 -12.246 1.00 0.00 O ATOM 0 H GLU A 17 1.691 18.894 -12.113 1.00 0.00 H new ATOM 0 HA GLU A 17 4.166 17.967 -13.410 1.00 0.00 H new ATOM 0 HB2 GLU A 17 3.515 19.943 -11.230 1.00 0.00 H new ATOM 0 HB3 GLU A 17 5.158 19.464 -11.606 1.00 0.00 H new ATOM 0 HG2 GLU A 17 5.264 20.795 -13.440 1.00 0.00 H new ATOM 0 HG3 GLU A 17 3.670 20.329 -13.999 1.00 0.00 H new ATOM 250 N MET A 18 3.161 16.895 -10.426 1.00 0.00 N ATOM 251 CA MET A 18 3.392 15.913 -9.334 1.00 0.00 C ATOM 252 C MET A 18 3.402 14.493 -9.965 1.00 0.00 C ATOM 253 O MET A 18 4.171 13.622 -9.541 1.00 0.00 O ATOM 254 CB MET A 18 2.326 16.050 -8.210 1.00 0.00 C ATOM 255 CG MET A 18 2.063 17.482 -7.705 1.00 0.00 C ATOM 256 SD MET A 18 1.311 17.431 -6.063 1.00 0.00 S ATOM 257 CE MET A 18 1.934 18.964 -5.342 1.00 0.00 C ATOM 0 H MET A 18 2.308 17.442 -10.311 1.00 0.00 H new ATOM 0 HA MET A 18 4.352 16.103 -8.853 1.00 0.00 H new ATOM 0 HB2 MET A 18 1.386 15.635 -8.574 1.00 0.00 H new ATOM 0 HB3 MET A 18 2.638 15.438 -7.363 1.00 0.00 H new ATOM 0 HG2 MET A 18 2.998 18.041 -7.668 1.00 0.00 H new ATOM 0 HG3 MET A 18 1.406 18.006 -8.399 1.00 0.00 H new ATOM 0 HE1 MET A 18 1.553 19.070 -4.326 1.00 0.00 H new ATOM 0 HE2 MET A 18 3.023 18.939 -5.320 1.00 0.00 H new ATOM 0 HE3 MET A 18 1.602 19.810 -5.944 1.00 0.00 H new ATOM 267 N ILE A 19 2.539 14.281 -10.976 1.00 0.00 N ATOM 268 CA ILE A 19 2.343 12.952 -11.615 1.00 0.00 C ATOM 269 C ILE A 19 3.734 12.516 -12.151 1.00 0.00 C ATOM 270 O ILE A 19 4.078 11.330 -12.110 1.00 0.00 O ATOM 271 CB ILE A 19 1.196 12.979 -12.694 1.00 0.00 C ATOM 272 CG1 ILE A 19 -0.047 12.129 -12.278 1.00 0.00 C ATOM 273 CG2 ILE A 19 1.688 12.542 -14.101 1.00 0.00 C ATOM 274 CD1 ILE A 19 -1.128 12.871 -11.474 1.00 0.00 C ATOM 0 H ILE A 19 1.958 15.017 -11.376 1.00 0.00 H new ATOM 0 HA ILE A 19 1.989 12.206 -10.904 1.00 0.00 H new ATOM 0 HB ILE A 19 0.887 14.023 -12.750 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -0.506 11.725 -13.181 1.00 0.00 H new ATOM 0 HG13 ILE A 19 0.298 11.280 -11.689 1.00 0.00 H new ATOM 0 HG21 ILE A 19 0.857 12.579 -14.805 1.00 0.00 H new ATOM 0 HG22 ILE A 19 2.477 13.215 -14.436 1.00 0.00 H new ATOM 0 HG23 ILE A 19 2.076 11.525 -14.051 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -1.942 12.185 -11.240 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -0.696 13.251 -10.548 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -1.513 13.703 -12.063 1.00 0.00 H new ATOM 286 N ALA A 20 4.509 13.483 -12.676 1.00 0.00 N ATOM 287 CA ALA A 20 5.816 13.215 -13.337 1.00 0.00 C ATOM 288 C ALA A 20 6.684 12.266 -12.466 1.00 0.00 C ATOM 289 O ALA A 20 7.354 11.367 -12.992 1.00 0.00 O ATOM 290 CB ALA A 20 6.526 14.558 -13.602 1.00 0.00 C ATOM 0 H ALA A 20 4.255 14.471 -12.658 1.00 0.00 H new ATOM 0 HA ALA A 20 5.654 12.712 -14.290 1.00 0.00 H new ATOM 0 HB1 ALA A 20 7.485 14.373 -14.086 1.00 0.00 H new ATOM 0 HB2 ALA A 20 5.905 15.176 -14.251 1.00 0.00 H new ATOM 0 HB3 ALA A 20 6.691 15.075 -12.657 1.00 0.00 H new ATOM 296 N GLU A 21 6.687 12.500 -11.142 1.00 0.00 N ATOM 297 CA GLU A 21 7.552 11.757 -10.187 1.00 0.00 C ATOM 298 C GLU A 21 7.368 10.234 -10.436 1.00 0.00 C ATOM 299 O GLU A 21 8.345 9.482 -10.537 1.00 0.00 O ATOM 300 CB GLU A 21 7.237 12.191 -8.727 1.00 0.00 C ATOM 301 CG GLU A 21 8.381 12.041 -7.696 1.00 0.00 C ATOM 302 CD GLU A 21 9.784 12.229 -8.282 1.00 0.00 C ATOM 303 OE1 GLU A 21 10.368 11.242 -8.783 1.00 0.00 O ATOM 304 OE2 GLU A 21 10.307 13.364 -8.247 1.00 0.00 O ATOM 0 H GLU A 21 6.097 13.203 -10.698 1.00 0.00 H new ATOM 0 HA GLU A 21 8.604 11.992 -10.346 1.00 0.00 H new ATOM 0 HB2 GLU A 21 6.927 13.236 -8.742 1.00 0.00 H new ATOM 0 HB3 GLU A 21 6.384 11.610 -8.376 1.00 0.00 H new ATOM 0 HG2 GLU A 21 8.233 12.768 -6.897 1.00 0.00 H new ATOM 0 HG3 GLU A 21 8.319 11.052 -7.242 1.00 0.00 H new ATOM 311 N PHE A 22 6.099 9.792 -10.503 1.00 0.00 N ATOM 312 CA PHE A 22 5.735 8.356 -10.631 1.00 0.00 C ATOM 313 C PHE A 22 5.895 7.912 -12.111 1.00 0.00 C ATOM 314 O PHE A 22 6.093 6.721 -12.384 1.00 0.00 O ATOM 315 CB PHE A 22 4.288 8.114 -10.102 1.00 0.00 C ATOM 316 CG PHE A 22 4.104 8.293 -8.582 1.00 0.00 C ATOM 317 CD1 PHE A 22 3.997 9.575 -8.029 1.00 0.00 C ATOM 318 CD2 PHE A 22 4.066 7.178 -7.736 1.00 0.00 C ATOM 319 CE1 PHE A 22 3.904 9.740 -6.649 1.00 0.00 C ATOM 320 CE2 PHE A 22 3.974 7.346 -6.356 1.00 0.00 C ATOM 321 CZ PHE A 22 3.885 8.626 -5.815 1.00 0.00 C ATOM 0 H PHE A 22 5.292 10.415 -10.471 1.00 0.00 H new ATOM 0 HA PHE A 22 6.405 7.750 -10.022 1.00 0.00 H new ATOM 0 HB2 PHE A 22 3.612 8.797 -10.616 1.00 0.00 H new ATOM 0 HB3 PHE A 22 3.985 7.102 -10.371 1.00 0.00 H new ATOM 0 HD1 PHE A 22 3.987 10.440 -8.676 1.00 0.00 H new ATOM 0 HD2 PHE A 22 4.108 6.183 -8.155 1.00 0.00 H new ATOM 0 HE1 PHE A 22 3.847 10.732 -6.226 1.00 0.00 H new ATOM 0 HE2 PHE A 22 3.972 6.484 -5.706 1.00 0.00 H new ATOM 0 HZ PHE A 22 3.801 8.755 -4.746 1.00 0.00 H new ATOM 331 N LYS A 23 5.778 8.865 -13.055 1.00 0.00 N ATOM 332 CA LYS A 23 5.786 8.585 -14.516 1.00 0.00 C ATOM 333 C LYS A 23 7.186 8.032 -14.899 1.00 0.00 C ATOM 334 O LYS A 23 7.304 7.167 -15.777 1.00 0.00 O ATOM 335 CB LYS A 23 5.443 9.862 -15.339 1.00 0.00 C ATOM 336 CG LYS A 23 5.959 9.939 -16.795 1.00 0.00 C ATOM 337 CD LYS A 23 5.054 10.736 -17.760 1.00 0.00 C ATOM 338 CE LYS A 23 4.054 11.642 -17.021 1.00 0.00 C ATOM 339 NZ LYS A 23 3.425 12.613 -17.933 1.00 0.00 N ATOM 0 H LYS A 23 5.675 9.855 -12.832 1.00 0.00 H new ATOM 0 HA LYS A 23 5.020 7.846 -14.751 1.00 0.00 H new ATOM 0 HB2 LYS A 23 4.358 9.965 -15.362 1.00 0.00 H new ATOM 0 HB3 LYS A 23 5.834 10.724 -14.799 1.00 0.00 H new ATOM 0 HG2 LYS A 23 6.950 10.392 -16.791 1.00 0.00 H new ATOM 0 HG3 LYS A 23 6.073 8.925 -17.180 1.00 0.00 H new ATOM 0 HD2 LYS A 23 5.676 11.346 -18.415 1.00 0.00 H new ATOM 0 HD3 LYS A 23 4.507 10.041 -18.397 1.00 0.00 H new ATOM 0 HE2 LYS A 23 3.283 11.029 -16.554 1.00 0.00 H new ATOM 0 HE3 LYS A 23 4.567 12.174 -16.220 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 2.757 13.207 -17.401 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 4.159 13.214 -18.360 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 2.914 12.105 -18.683 1.00 0.00 H new ATOM 353 N ALA A 24 8.240 8.561 -14.251 1.00 0.00 N ATOM 354 CA ALA A 24 9.650 8.219 -14.580 1.00 0.00 C ATOM 355 C ALA A 24 9.902 6.708 -14.323 1.00 0.00 C ATOM 356 O ALA A 24 10.487 6.012 -15.161 1.00 0.00 O ATOM 357 CB ALA A 24 10.593 9.110 -13.748 1.00 0.00 C ATOM 0 H ALA A 24 8.148 9.233 -13.489 1.00 0.00 H new ATOM 0 HA ALA A 24 9.848 8.407 -15.635 1.00 0.00 H new ATOM 0 HB1 ALA A 24 11.628 8.864 -13.984 1.00 0.00 H new ATOM 0 HB2 ALA A 24 10.406 10.158 -13.984 1.00 0.00 H new ATOM 0 HB3 ALA A 24 10.413 8.939 -12.687 1.00 0.00 H new ATOM 363 N ALA A 25 9.467 6.224 -13.144 1.00 0.00 N ATOM 364 CA ALA A 25 9.695 4.820 -12.709 1.00 0.00 C ATOM 365 C ALA A 25 8.766 3.854 -13.494 1.00 0.00 C ATOM 366 O ALA A 25 9.107 2.682 -13.698 1.00 0.00 O ATOM 367 CB ALA A 25 9.470 4.724 -11.187 1.00 0.00 C ATOM 0 H ALA A 25 8.951 6.785 -12.466 1.00 0.00 H new ATOM 0 HA ALA A 25 10.721 4.523 -12.926 1.00 0.00 H new ATOM 0 HB1 ALA A 25 9.635 3.698 -10.859 1.00 0.00 H new ATOM 0 HB2 ALA A 25 10.168 5.386 -10.674 1.00 0.00 H new ATOM 0 HB3 ALA A 25 8.448 5.021 -10.951 1.00 0.00 H new ATOM 373 N PHE A 26 7.582 4.357 -13.897 1.00 0.00 N ATOM 374 CA PHE A 26 6.550 3.536 -14.588 1.00 0.00 C ATOM 375 C PHE A 26 7.225 2.842 -15.804 1.00 0.00 C ATOM 376 O PHE A 26 6.992 1.657 -16.067 1.00 0.00 O ATOM 377 CB PHE A 26 5.325 4.399 -15.013 1.00 0.00 C ATOM 378 CG PHE A 26 4.473 3.803 -16.157 1.00 0.00 C ATOM 379 CD1 PHE A 26 3.676 2.676 -15.930 1.00 0.00 C ATOM 380 CD2 PHE A 26 4.472 4.400 -17.424 1.00 0.00 C ATOM 381 CE1 PHE A 26 2.856 2.181 -16.942 1.00 0.00 C ATOM 382 CE2 PHE A 26 3.656 3.899 -18.435 1.00 0.00 C ATOM 383 CZ PHE A 26 2.852 2.788 -18.195 1.00 0.00 C ATOM 0 H PHE A 26 7.310 5.330 -13.758 1.00 0.00 H new ATOM 0 HA PHE A 26 6.158 2.779 -13.909 1.00 0.00 H new ATOM 0 HB2 PHE A 26 4.685 4.548 -14.143 1.00 0.00 H new ATOM 0 HB3 PHE A 26 5.681 5.383 -15.319 1.00 0.00 H new ATOM 0 HD1 PHE A 26 3.696 2.188 -14.967 1.00 0.00 H new ATOM 0 HD2 PHE A 26 5.107 5.252 -17.618 1.00 0.00 H new ATOM 0 HE1 PHE A 26 2.223 1.326 -16.754 1.00 0.00 H new ATOM 0 HE2 PHE A 26 3.647 4.372 -19.406 1.00 0.00 H new ATOM 0 HZ PHE A 26 2.224 2.396 -18.982 1.00 0.00 H new ATOM 393 N ASP A 27 8.050 3.608 -16.542 1.00 0.00 N ATOM 394 CA ASP A 27 8.731 3.120 -17.770 1.00 0.00 C ATOM 395 C ASP A 27 9.723 1.992 -17.372 1.00 0.00 C ATOM 396 O ASP A 27 9.915 1.030 -18.127 1.00 0.00 O ATOM 397 CB ASP A 27 9.421 4.281 -18.544 1.00 0.00 C ATOM 398 CG ASP A 27 8.522 5.471 -18.919 1.00 0.00 C ATOM 399 OD1 ASP A 27 7.850 5.415 -19.972 1.00 0.00 O ATOM 400 OD2 ASP A 27 8.493 6.468 -18.164 1.00 0.00 O ATOM 0 H ASP A 27 8.267 4.578 -16.311 1.00 0.00 H new ATOM 0 HA ASP A 27 7.995 2.709 -18.461 1.00 0.00 H new ATOM 0 HB2 ASP A 27 10.248 4.653 -17.939 1.00 0.00 H new ATOM 0 HB3 ASP A 27 9.852 3.875 -19.459 1.00 0.00 H new ATOM 405 N MET A 28 10.365 2.144 -16.196 1.00 0.00 N ATOM 406 CA MET A 28 11.357 1.158 -15.685 1.00 0.00 C ATOM 407 C MET A 28 10.664 -0.232 -15.646 1.00 0.00 C ATOM 408 O MET A 28 11.266 -1.248 -16.012 1.00 0.00 O ATOM 409 CB MET A 28 11.926 1.568 -14.296 1.00 0.00 C ATOM 410 CG MET A 28 13.384 1.154 -14.020 1.00 0.00 C ATOM 411 SD MET A 28 14.167 2.344 -12.909 1.00 0.00 S ATOM 412 CE MET A 28 12.759 2.876 -11.913 1.00 0.00 C ATOM 0 H MET A 28 10.218 2.940 -15.576 1.00 0.00 H new ATOM 0 HA MET A 28 12.220 1.122 -16.349 1.00 0.00 H new ATOM 0 HB2 MET A 28 11.851 2.651 -14.199 1.00 0.00 H new ATOM 0 HB3 MET A 28 11.292 1.134 -13.522 1.00 0.00 H new ATOM 0 HG2 MET A 28 13.410 0.159 -13.576 1.00 0.00 H new ATOM 0 HG3 MET A 28 13.939 1.100 -14.957 1.00 0.00 H new ATOM 0 HE1 MET A 28 13.109 3.202 -10.934 1.00 0.00 H new ATOM 0 HE2 MET A 28 12.252 3.702 -12.411 1.00 0.00 H new ATOM 0 HE3 MET A 28 12.064 2.045 -11.792 1.00 0.00 H new ATOM 422 N PHE A 29 9.404 -0.259 -15.171 1.00 0.00 N ATOM 423 CA PHE A 29 8.636 -1.519 -14.987 1.00 0.00 C ATOM 424 C PHE A 29 8.284 -2.089 -16.388 1.00 0.00 C ATOM 425 O PHE A 29 8.260 -3.309 -16.587 1.00 0.00 O ATOM 426 CB PHE A 29 7.366 -1.273 -14.119 1.00 0.00 C ATOM 427 CG PHE A 29 7.631 -0.994 -12.627 1.00 0.00 C ATOM 428 CD1 PHE A 29 8.858 -0.460 -12.216 1.00 0.00 C ATOM 429 CD2 PHE A 29 6.645 -1.258 -11.669 1.00 0.00 C ATOM 430 CE1 PHE A 29 9.098 -0.206 -10.867 1.00 0.00 C ATOM 431 CE2 PHE A 29 6.887 -1.003 -10.321 1.00 0.00 C ATOM 432 CZ PHE A 29 8.116 -0.487 -9.920 1.00 0.00 C ATOM 0 H PHE A 29 8.888 0.580 -14.904 1.00 0.00 H new ATOM 0 HA PHE A 29 9.239 -2.251 -14.449 1.00 0.00 H new ATOM 0 HB2 PHE A 29 6.818 -0.429 -14.538 1.00 0.00 H new ATOM 0 HB3 PHE A 29 6.717 -2.145 -14.199 1.00 0.00 H new ATOM 0 HD1 PHE A 29 9.622 -0.244 -12.948 1.00 0.00 H new ATOM 0 HD2 PHE A 29 5.692 -1.662 -11.977 1.00 0.00 H new ATOM 0 HE1 PHE A 29 10.045 0.209 -10.556 1.00 0.00 H new ATOM 0 HE2 PHE A 29 6.121 -1.206 -9.587 1.00 0.00 H new ATOM 0 HZ PHE A 29 8.308 -0.304 -8.873 1.00 0.00 H new ATOM 442 N ASP A 30 8.005 -1.185 -17.347 1.00 0.00 N ATOM 443 CA ASP A 30 7.650 -1.563 -18.740 1.00 0.00 C ATOM 444 C ASP A 30 8.903 -2.174 -19.425 1.00 0.00 C ATOM 445 O ASP A 30 10.040 -1.885 -19.034 1.00 0.00 O ATOM 446 CB ASP A 30 7.063 -0.357 -19.530 1.00 0.00 C ATOM 447 CG ASP A 30 6.097 -0.705 -20.676 1.00 0.00 C ATOM 448 OD1 ASP A 30 5.493 -1.800 -20.648 1.00 0.00 O ATOM 449 OD2 ASP A 30 5.936 0.120 -21.602 1.00 0.00 O ATOM 0 H ASP A 30 8.017 -0.178 -17.186 1.00 0.00 H new ATOM 0 HA ASP A 30 6.860 -2.314 -18.727 1.00 0.00 H new ATOM 0 HB2 ASP A 30 6.542 0.293 -18.827 1.00 0.00 H new ATOM 0 HB3 ASP A 30 7.891 0.219 -19.942 1.00 0.00 H new ATOM 454 N ALA A 31 8.674 -3.007 -20.457 1.00 0.00 N ATOM 455 CA ALA A 31 9.763 -3.674 -21.220 1.00 0.00 C ATOM 456 C ALA A 31 9.946 -2.986 -22.601 1.00 0.00 C ATOM 457 O ALA A 31 11.066 -2.893 -23.115 1.00 0.00 O ATOM 458 CB ALA A 31 9.432 -5.173 -21.364 1.00 0.00 C ATOM 0 H ALA A 31 7.738 -3.240 -20.789 1.00 0.00 H new ATOM 0 HA ALA A 31 10.708 -3.582 -20.685 1.00 0.00 H new ATOM 0 HB1 ALA A 31 10.226 -5.669 -21.922 1.00 0.00 H new ATOM 0 HB2 ALA A 31 9.348 -5.624 -20.375 1.00 0.00 H new ATOM 0 HB3 ALA A 31 8.488 -5.288 -21.896 1.00 0.00 H new ATOM 464 N ASP A 32 8.826 -2.511 -23.181 1.00 0.00 N ATOM 465 CA ASP A 32 8.817 -1.850 -24.514 1.00 0.00 C ATOM 466 C ASP A 32 9.228 -0.364 -24.334 1.00 0.00 C ATOM 467 O ASP A 32 9.935 0.204 -25.176 1.00 0.00 O ATOM 468 CB ASP A 32 7.444 -2.009 -25.232 1.00 0.00 C ATOM 469 CG ASP A 32 6.396 -0.922 -24.935 1.00 0.00 C ATOM 470 OD1 ASP A 32 6.639 0.259 -25.270 1.00 0.00 O ATOM 471 OD2 ASP A 32 5.333 -1.246 -24.362 1.00 0.00 O ATOM 0 H ASP A 32 7.905 -2.571 -22.747 1.00 0.00 H new ATOM 0 HA ASP A 32 9.541 -2.337 -25.167 1.00 0.00 H new ATOM 0 HB2 ASP A 32 7.620 -2.032 -26.308 1.00 0.00 H new ATOM 0 HB3 ASP A 32 7.023 -2.976 -24.957 1.00 0.00 H new ATOM 476 N GLY A 33 8.801 0.246 -23.211 1.00 0.00 N ATOM 477 CA GLY A 33 9.199 1.629 -22.842 1.00 0.00 C ATOM 478 C GLY A 33 8.039 2.641 -23.030 1.00 0.00 C ATOM 479 O GLY A 33 7.945 3.317 -24.063 1.00 0.00 O ATOM 0 H GLY A 33 8.177 -0.196 -22.537 1.00 0.00 H new ATOM 0 HA2 GLY A 33 9.529 1.646 -21.803 1.00 0.00 H new ATOM 0 HA3 GLY A 33 10.049 1.936 -23.451 1.00 0.00 H new ATOM 483 N GLY A 34 7.173 2.758 -22.006 1.00 0.00 N ATOM 484 CA GLY A 34 6.058 3.740 -22.004 1.00 0.00 C ATOM 485 C GLY A 34 4.903 3.235 -22.904 1.00 0.00 C ATOM 486 O GLY A 34 5.133 2.664 -23.977 1.00 0.00 O ATOM 0 H GLY A 34 7.220 2.185 -21.164 1.00 0.00 H new ATOM 0 HA2 GLY A 34 5.697 3.891 -20.986 1.00 0.00 H new ATOM 0 HA3 GLY A 34 6.413 4.706 -22.363 1.00 0.00 H new ATOM 490 N GLY A 35 3.654 3.428 -22.436 1.00 0.00 N ATOM 491 CA GLY A 35 2.440 3.067 -23.209 1.00 0.00 C ATOM 492 C GLY A 35 1.442 2.292 -22.310 1.00 0.00 C ATOM 493 O GLY A 35 0.277 2.686 -22.170 1.00 0.00 O ATOM 0 H GLY A 35 3.455 3.834 -21.522 1.00 0.00 H new ATOM 0 HA2 GLY A 35 1.966 3.969 -23.597 1.00 0.00 H new ATOM 0 HA3 GLY A 35 2.716 2.456 -24.069 1.00 0.00 H new ATOM 497 N ASP A 36 1.921 1.187 -21.708 1.00 0.00 N ATOM 498 CA ASP A 36 1.079 0.265 -20.900 1.00 0.00 C ATOM 499 C ASP A 36 1.874 -1.047 -20.654 1.00 0.00 C ATOM 500 O ASP A 36 2.478 -1.600 -21.581 1.00 0.00 O ATOM 501 CB ASP A 36 -0.302 0.012 -21.571 1.00 0.00 C ATOM 502 CG ASP A 36 -0.287 -0.195 -23.095 1.00 0.00 C ATOM 503 OD1 ASP A 36 0.690 -0.775 -23.618 1.00 0.00 O ATOM 504 OD2 ASP A 36 -1.253 0.223 -23.771 1.00 0.00 O ATOM 0 H ASP A 36 2.899 0.903 -21.764 1.00 0.00 H new ATOM 0 HA ASP A 36 0.854 0.722 -19.936 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -0.751 -0.868 -21.110 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -0.953 0.857 -21.346 1.00 0.00 H new ATOM 509 N ILE A 37 1.855 -1.533 -19.398 1.00 0.00 N ATOM 510 CA ILE A 37 2.642 -2.720 -18.963 1.00 0.00 C ATOM 511 C ILE A 37 1.799 -4.003 -19.192 1.00 0.00 C ATOM 512 O ILE A 37 0.574 -3.933 -19.368 1.00 0.00 O ATOM 513 CB ILE A 37 3.200 -2.612 -17.495 1.00 0.00 C ATOM 514 CG1 ILE A 37 3.801 -1.223 -17.108 1.00 0.00 C ATOM 515 CG2 ILE A 37 4.186 -3.767 -17.185 1.00 0.00 C ATOM 516 CD1 ILE A 37 4.148 -1.033 -15.623 1.00 0.00 C ATOM 0 H ILE A 37 1.296 -1.119 -18.651 1.00 0.00 H new ATOM 0 HA ILE A 37 3.539 -2.769 -19.580 1.00 0.00 H new ATOM 0 HB ILE A 37 2.322 -2.711 -16.856 1.00 0.00 H new ATOM 0 HG12 ILE A 37 4.705 -1.063 -17.696 1.00 0.00 H new ATOM 0 HG13 ILE A 37 3.091 -0.448 -17.398 1.00 0.00 H new ATOM 0 HG21 ILE A 37 4.555 -3.666 -16.164 1.00 0.00 H new ATOM 0 HG22 ILE A 37 3.673 -4.722 -17.293 1.00 0.00 H new ATOM 0 HG23 ILE A 37 5.025 -3.726 -17.880 1.00 0.00 H new ATOM 0 HD11 ILE A 37 4.557 -0.034 -15.470 1.00 0.00 H new ATOM 0 HD12 ILE A 37 3.247 -1.153 -15.021 1.00 0.00 H new ATOM 0 HD13 ILE A 37 4.886 -1.777 -15.324 1.00 0.00 H new ATOM 528 N SER A 38 2.456 -5.178 -19.159 1.00 0.00 N ATOM 529 CA SER A 38 1.783 -6.500 -19.276 1.00 0.00 C ATOM 530 C SER A 38 2.244 -7.425 -18.116 1.00 0.00 C ATOM 531 O SER A 38 2.839 -6.960 -17.137 1.00 0.00 O ATOM 532 CB SER A 38 2.077 -7.102 -20.670 1.00 0.00 C ATOM 533 OG SER A 38 3.100 -8.089 -20.610 1.00 0.00 O ATOM 0 H SER A 38 3.468 -5.245 -19.051 1.00 0.00 H new ATOM 0 HA SER A 38 0.702 -6.389 -19.188 1.00 0.00 H new ATOM 0 HB2 SER A 38 1.167 -7.545 -21.075 1.00 0.00 H new ATOM 0 HB3 SER A 38 2.377 -6.308 -21.354 1.00 0.00 H new ATOM 0 HG SER A 38 3.259 -8.450 -21.507 1.00 0.00 H new ATOM 539 N THR A 39 1.962 -8.734 -18.253 1.00 0.00 N ATOM 540 CA THR A 39 2.321 -9.761 -17.240 1.00 0.00 C ATOM 541 C THR A 39 3.801 -10.182 -17.451 1.00 0.00 C ATOM 542 O THR A 39 4.548 -10.366 -16.480 1.00 0.00 O ATOM 543 CB THR A 39 1.340 -10.977 -17.264 1.00 0.00 C ATOM 544 OG1 THR A 39 0.646 -11.038 -18.508 1.00 0.00 O ATOM 545 CG2 THR A 39 0.295 -10.998 -16.134 1.00 0.00 C ATOM 0 H THR A 39 1.479 -9.116 -19.066 1.00 0.00 H new ATOM 0 HA THR A 39 2.221 -9.332 -16.243 1.00 0.00 H new ATOM 0 HB THR A 39 1.985 -11.843 -17.116 1.00 0.00 H new ATOM 0 HG1 THR A 39 0.038 -11.806 -18.506 1.00 0.00 H new ATOM 0 HG21 THR A 39 -0.337 -11.880 -16.239 1.00 0.00 H new ATOM 0 HG22 THR A 39 0.802 -11.028 -15.170 1.00 0.00 H new ATOM 0 HG23 THR A 39 -0.322 -10.101 -16.192 1.00 0.00 H new ATOM 553 N LYS A 40 4.212 -10.337 -18.723 1.00 0.00 N ATOM 554 CA LYS A 40 5.598 -10.742 -19.083 1.00 0.00 C ATOM 555 C LYS A 40 6.547 -9.537 -18.844 1.00 0.00 C ATOM 556 O LYS A 40 7.685 -9.709 -18.388 1.00 0.00 O ATOM 557 CB LYS A 40 5.614 -11.273 -20.546 1.00 0.00 C ATOM 558 CG LYS A 40 6.832 -12.140 -20.955 1.00 0.00 C ATOM 559 CD LYS A 40 7.097 -12.396 -22.459 1.00 0.00 C ATOM 560 CE LYS A 40 6.202 -11.637 -23.462 1.00 0.00 C ATOM 561 NZ LYS A 40 5.856 -12.422 -24.661 1.00 0.00 N ATOM 0 H LYS A 40 3.605 -10.188 -19.529 1.00 0.00 H new ATOM 0 HA LYS A 40 5.955 -11.558 -18.455 1.00 0.00 H new ATOM 0 HB2 LYS A 40 4.709 -11.859 -20.706 1.00 0.00 H new ATOM 0 HB3 LYS A 40 5.563 -10.418 -21.220 1.00 0.00 H new ATOM 0 HG2 LYS A 40 7.724 -11.673 -20.538 1.00 0.00 H new ATOM 0 HG3 LYS A 40 6.724 -13.110 -20.470 1.00 0.00 H new ATOM 0 HD2 LYS A 40 8.136 -12.140 -22.669 1.00 0.00 H new ATOM 0 HD3 LYS A 40 6.987 -13.464 -22.646 1.00 0.00 H new ATOM 0 HE2 LYS A 40 5.283 -11.335 -22.959 1.00 0.00 H new ATOM 0 HE3 LYS A 40 6.711 -10.724 -23.771 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 5.255 -11.851 -25.288 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 6.726 -12.689 -25.164 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 5.343 -13.281 -24.377 1.00 0.00 H new ATOM 575 N GLU A 41 6.073 -8.324 -19.186 1.00 0.00 N ATOM 576 CA GLU A 41 6.890 -7.083 -19.126 1.00 0.00 C ATOM 577 C GLU A 41 7.195 -6.749 -17.640 1.00 0.00 C ATOM 578 O GLU A 41 8.341 -6.454 -17.281 1.00 0.00 O ATOM 579 CB GLU A 41 6.190 -5.912 -19.874 1.00 0.00 C ATOM 580 CG GLU A 41 5.209 -6.272 -21.018 1.00 0.00 C ATOM 581 CD GLU A 41 5.075 -5.191 -22.095 1.00 0.00 C ATOM 582 OE1 GLU A 41 6.095 -4.839 -22.729 1.00 0.00 O ATOM 583 OE2 GLU A 41 3.950 -4.691 -22.314 1.00 0.00 O ATOM 0 H GLU A 41 5.118 -8.170 -19.511 1.00 0.00 H new ATOM 0 HA GLU A 41 7.838 -7.240 -19.640 1.00 0.00 H new ATOM 0 HB2 GLU A 41 5.644 -5.322 -19.137 1.00 0.00 H new ATOM 0 HB3 GLU A 41 6.965 -5.267 -20.288 1.00 0.00 H new ATOM 0 HG2 GLU A 41 5.541 -7.198 -21.488 1.00 0.00 H new ATOM 0 HG3 GLU A 41 4.226 -6.466 -20.590 1.00 0.00 H new ATOM 590 N LEU A 42 6.147 -6.772 -16.797 1.00 0.00 N ATOM 591 CA LEU A 42 6.251 -6.411 -15.358 1.00 0.00 C ATOM 592 C LEU A 42 7.047 -7.533 -14.638 1.00 0.00 C ATOM 593 O LEU A 42 7.819 -7.269 -13.708 1.00 0.00 O ATOM 594 CB LEU A 42 4.838 -6.208 -14.731 1.00 0.00 C ATOM 595 CG LEU A 42 4.742 -5.329 -13.450 1.00 0.00 C ATOM 596 CD1 LEU A 42 3.565 -5.738 -12.540 1.00 0.00 C ATOM 597 CD2 LEU A 42 6.060 -5.362 -12.650 1.00 0.00 C ATOM 0 H LEU A 42 5.206 -7.039 -17.085 1.00 0.00 H new ATOM 0 HA LEU A 42 6.777 -5.463 -15.243 1.00 0.00 H new ATOM 0 HB2 LEU A 42 4.193 -5.767 -15.491 1.00 0.00 H new ATOM 0 HB3 LEU A 42 4.429 -7.191 -14.496 1.00 0.00 H new ATOM 0 HG LEU A 42 4.558 -4.310 -13.792 1.00 0.00 H new ATOM 0 HD11 LEU A 42 3.544 -5.094 -11.661 1.00 0.00 H new ATOM 0 HD12 LEU A 42 2.629 -5.635 -13.088 1.00 0.00 H new ATOM 0 HD13 LEU A 42 3.690 -6.775 -12.227 1.00 0.00 H new ATOM 0 HD21 LEU A 42 5.962 -4.739 -11.761 1.00 0.00 H new ATOM 0 HD22 LEU A 42 6.279 -6.387 -12.352 1.00 0.00 H new ATOM 0 HD23 LEU A 42 6.872 -4.983 -13.271 1.00 0.00 H new ATOM 609 N GLY A 43 6.823 -8.791 -15.064 1.00 0.00 N ATOM 610 CA GLY A 43 7.417 -9.985 -14.412 1.00 0.00 C ATOM 611 C GLY A 43 8.939 -9.788 -14.191 1.00 0.00 C ATOM 612 O GLY A 43 9.516 -10.349 -13.248 1.00 0.00 O ATOM 0 H GLY A 43 6.230 -9.013 -15.864 1.00 0.00 H new ATOM 0 HA2 GLY A 43 6.926 -10.166 -13.456 1.00 0.00 H new ATOM 0 HA3 GLY A 43 7.245 -10.866 -15.030 1.00 0.00 H new ATOM 616 N THR A 44 9.579 -9.013 -15.085 1.00 0.00 N ATOM 617 CA THR A 44 11.053 -8.812 -15.083 1.00 0.00 C ATOM 618 C THR A 44 11.454 -8.065 -13.781 1.00 0.00 C ATOM 619 O THR A 44 12.294 -8.545 -13.011 1.00 0.00 O ATOM 620 CB THR A 44 11.548 -8.085 -16.372 1.00 0.00 C ATOM 621 OG1 THR A 44 11.732 -9.015 -17.436 1.00 0.00 O ATOM 622 CG2 THR A 44 12.852 -7.281 -16.212 1.00 0.00 C ATOM 0 H THR A 44 9.098 -8.507 -15.829 1.00 0.00 H new ATOM 0 HA THR A 44 11.550 -9.782 -15.096 1.00 0.00 H new ATOM 0 HB THR A 44 10.757 -7.368 -16.592 1.00 0.00 H new ATOM 0 HG1 THR A 44 12.041 -8.540 -18.236 1.00 0.00 H new ATOM 0 HG21 THR A 44 13.111 -6.815 -17.163 1.00 0.00 H new ATOM 0 HG22 THR A 44 12.713 -6.509 -15.455 1.00 0.00 H new ATOM 0 HG23 THR A 44 13.656 -7.950 -15.905 1.00 0.00 H new ATOM 630 N VAL A 45 10.860 -6.875 -13.572 1.00 0.00 N ATOM 631 CA VAL A 45 11.204 -5.975 -12.438 1.00 0.00 C ATOM 632 C VAL A 45 10.938 -6.759 -11.123 1.00 0.00 C ATOM 633 O VAL A 45 11.640 -6.566 -10.122 1.00 0.00 O ATOM 634 CB VAL A 45 10.444 -4.604 -12.523 1.00 0.00 C ATOM 635 CG1 VAL A 45 9.913 -4.085 -11.164 1.00 0.00 C ATOM 636 CG2 VAL A 45 11.298 -3.483 -13.164 1.00 0.00 C ATOM 0 H VAL A 45 10.129 -6.505 -14.179 1.00 0.00 H new ATOM 0 HA VAL A 45 12.257 -5.695 -12.474 1.00 0.00 H new ATOM 0 HB VAL A 45 9.590 -4.833 -13.161 1.00 0.00 H new ATOM 0 HG11 VAL A 45 9.401 -3.134 -11.312 1.00 0.00 H new ATOM 0 HG12 VAL A 45 9.216 -4.810 -10.745 1.00 0.00 H new ATOM 0 HG13 VAL A 45 10.747 -3.945 -10.477 1.00 0.00 H new ATOM 0 HG21 VAL A 45 10.721 -2.559 -13.196 1.00 0.00 H new ATOM 0 HG22 VAL A 45 12.199 -3.328 -12.571 1.00 0.00 H new ATOM 0 HG23 VAL A 45 11.577 -3.772 -14.177 1.00 0.00 H new ATOM 646 N MET A 46 9.908 -7.625 -11.137 1.00 0.00 N ATOM 647 CA MET A 46 9.524 -8.451 -9.960 1.00 0.00 C ATOM 648 C MET A 46 10.727 -9.368 -9.609 1.00 0.00 C ATOM 649 O MET A 46 11.098 -9.503 -8.437 1.00 0.00 O ATOM 650 CB MET A 46 8.225 -9.260 -10.232 1.00 0.00 C ATOM 651 CG MET A 46 6.904 -8.481 -10.085 1.00 0.00 C ATOM 652 SD MET A 46 6.244 -8.690 -8.416 1.00 0.00 S ATOM 653 CE MET A 46 5.751 -10.425 -8.446 1.00 0.00 C ATOM 0 H MET A 46 9.317 -7.777 -11.955 1.00 0.00 H new ATOM 0 HA MET A 46 9.297 -7.810 -9.108 1.00 0.00 H new ATOM 0 HB2 MET A 46 8.276 -9.663 -11.244 1.00 0.00 H new ATOM 0 HB3 MET A 46 8.200 -10.111 -9.551 1.00 0.00 H new ATOM 0 HG2 MET A 46 7.072 -7.423 -10.289 1.00 0.00 H new ATOM 0 HG3 MET A 46 6.180 -8.836 -10.818 1.00 0.00 H new ATOM 0 HE1 MET A 46 4.733 -10.521 -8.068 1.00 0.00 H new ATOM 0 HE2 MET A 46 5.794 -10.798 -9.469 1.00 0.00 H new ATOM 0 HE3 MET A 46 6.427 -11.006 -7.819 1.00 0.00 H new ATOM 663 N ARG A 47 11.322 -9.992 -10.642 1.00 0.00 N ATOM 664 CA ARG A 47 12.413 -10.989 -10.475 1.00 0.00 C ATOM 665 C ARG A 47 13.565 -10.342 -9.659 1.00 0.00 C ATOM 666 O ARG A 47 14.251 -11.022 -8.887 1.00 0.00 O ATOM 667 CB ARG A 47 12.913 -11.489 -11.859 1.00 0.00 C ATOM 668 CG ARG A 47 13.291 -12.988 -11.910 1.00 0.00 C ATOM 669 CD ARG A 47 14.142 -13.358 -13.140 1.00 0.00 C ATOM 670 NE ARG A 47 15.499 -12.755 -13.084 1.00 0.00 N ATOM 671 CZ ARG A 47 16.643 -13.394 -13.409 1.00 0.00 C ATOM 672 NH1 ARG A 47 16.701 -14.660 -13.820 1.00 0.00 N ATOM 673 NH2 ARG A 47 17.776 -12.723 -13.313 1.00 0.00 N ATOM 0 H ARG A 47 11.066 -9.825 -11.615 1.00 0.00 H new ATOM 0 HA ARG A 47 12.038 -11.858 -9.933 1.00 0.00 H new ATOM 0 HB2 ARG A 47 12.137 -11.299 -12.600 1.00 0.00 H new ATOM 0 HB3 ARG A 47 13.782 -10.900 -12.150 1.00 0.00 H new ATOM 0 HG2 ARG A 47 13.840 -13.249 -11.005 1.00 0.00 H new ATOM 0 HG3 ARG A 47 12.380 -13.586 -11.914 1.00 0.00 H new ATOM 0 HD2 ARG A 47 14.230 -14.442 -13.206 1.00 0.00 H new ATOM 0 HD3 ARG A 47 13.635 -13.024 -14.045 1.00 0.00 H new ATOM 0 HE ARG A 47 15.572 -11.785 -12.777 1.00 0.00 H new ATOM 0 HH11 ARG A 47 15.845 -15.208 -13.905 1.00 0.00 H new ATOM 0 HH12 ARG A 47 17.601 -15.081 -14.050 1.00 0.00 H new ATOM 0 HH21 ARG A 47 17.769 -11.752 -13.001 1.00 0.00 H new ATOM 0 HH22 ARG A 47 18.659 -13.176 -13.551 1.00 0.00 H new ATOM 687 N MET A 48 13.779 -9.030 -9.869 1.00 0.00 N ATOM 688 CA MET A 48 14.817 -8.246 -9.148 1.00 0.00 C ATOM 689 C MET A 48 14.193 -7.742 -7.818 1.00 0.00 C ATOM 690 O MET A 48 13.829 -6.566 -7.697 1.00 0.00 O ATOM 691 CB MET A 48 15.360 -7.081 -10.023 1.00 0.00 C ATOM 692 CG MET A 48 16.574 -7.418 -10.910 1.00 0.00 C ATOM 693 SD MET A 48 17.833 -6.132 -10.750 1.00 0.00 S ATOM 694 CE MET A 48 17.011 -4.731 -11.536 1.00 0.00 C ATOM 0 H MET A 48 13.243 -8.479 -10.539 1.00 0.00 H new ATOM 0 HA MET A 48 15.680 -8.875 -8.928 1.00 0.00 H new ATOM 0 HB2 MET A 48 14.553 -6.726 -10.664 1.00 0.00 H new ATOM 0 HB3 MET A 48 15.632 -6.255 -9.366 1.00 0.00 H new ATOM 0 HG2 MET A 48 16.990 -8.383 -10.620 1.00 0.00 H new ATOM 0 HG3 MET A 48 16.261 -7.505 -11.951 1.00 0.00 H new ATOM 0 HE1 MET A 48 17.676 -3.868 -11.528 1.00 0.00 H new ATOM 0 HE2 MET A 48 16.761 -4.987 -12.566 1.00 0.00 H new ATOM 0 HE3 MET A 48 16.099 -4.491 -10.990 1.00 0.00 H new ATOM 704 N LEU A 49 14.074 -8.649 -6.831 1.00 0.00 N ATOM 705 CA LEU A 49 13.576 -8.312 -5.470 1.00 0.00 C ATOM 706 C LEU A 49 14.166 -9.346 -4.474 1.00 0.00 C ATOM 707 O LEU A 49 14.759 -8.982 -3.452 1.00 0.00 O ATOM 708 CB LEU A 49 12.017 -8.298 -5.437 1.00 0.00 C ATOM 709 CG LEU A 49 11.331 -8.362 -4.041 1.00 0.00 C ATOM 710 CD1 LEU A 49 10.818 -6.986 -3.569 1.00 0.00 C ATOM 711 CD2 LEU A 49 10.175 -9.383 -4.034 1.00 0.00 C ATOM 0 H LEU A 49 14.317 -9.633 -6.946 1.00 0.00 H new ATOM 0 HA LEU A 49 13.899 -7.311 -5.185 1.00 0.00 H new ATOM 0 HB2 LEU A 49 11.677 -7.392 -5.938 1.00 0.00 H new ATOM 0 HB3 LEU A 49 11.660 -9.142 -6.027 1.00 0.00 H new ATOM 0 HG LEU A 49 12.099 -8.687 -3.339 1.00 0.00 H new ATOM 0 HD11 LEU A 49 10.349 -7.089 -2.591 1.00 0.00 H new ATOM 0 HD12 LEU A 49 11.654 -6.290 -3.499 1.00 0.00 H new ATOM 0 HD13 LEU A 49 10.088 -6.605 -4.283 1.00 0.00 H new ATOM 0 HD21 LEU A 49 9.715 -9.405 -3.046 1.00 0.00 H new ATOM 0 HD22 LEU A 49 9.429 -9.094 -4.775 1.00 0.00 H new ATOM 0 HD23 LEU A 49 10.562 -10.373 -4.277 1.00 0.00 H new ATOM 723 N GLY A 50 14.018 -10.645 -4.804 1.00 0.00 N ATOM 724 CA GLY A 50 14.560 -11.751 -3.976 1.00 0.00 C ATOM 725 C GLY A 50 13.996 -13.111 -4.462 1.00 0.00 C ATOM 726 O GLY A 50 14.750 -14.074 -4.654 1.00 0.00 O ATOM 0 H GLY A 50 13.526 -10.959 -5.641 1.00 0.00 H new ATOM 0 HA2 GLY A 50 15.648 -11.759 -4.034 1.00 0.00 H new ATOM 0 HA3 GLY A 50 14.298 -11.594 -2.930 1.00 0.00 H new ATOM 730 N GLN A 51 12.662 -13.179 -4.626 1.00 0.00 N ATOM 731 CA GLN A 51 11.959 -14.381 -5.147 1.00 0.00 C ATOM 732 C GLN A 51 12.026 -14.350 -6.698 1.00 0.00 C ATOM 733 O GLN A 51 12.752 -13.537 -7.282 1.00 0.00 O ATOM 734 CB GLN A 51 10.498 -14.425 -4.613 1.00 0.00 C ATOM 735 CG GLN A 51 9.954 -15.820 -4.222 1.00 0.00 C ATOM 736 CD GLN A 51 10.771 -16.542 -3.136 1.00 0.00 C ATOM 737 OE1 GLN A 51 11.781 -17.186 -3.418 1.00 0.00 O ATOM 738 NE2 GLN A 51 10.361 -16.448 -1.879 1.00 0.00 N ATOM 0 H GLN A 51 12.035 -12.406 -4.403 1.00 0.00 H new ATOM 0 HA GLN A 51 12.442 -15.294 -4.799 1.00 0.00 H new ATOM 0 HB2 GLN A 51 10.433 -13.775 -3.740 1.00 0.00 H new ATOM 0 HB3 GLN A 51 9.842 -14.003 -5.375 1.00 0.00 H new ATOM 0 HG2 GLN A 51 8.927 -15.711 -3.874 1.00 0.00 H new ATOM 0 HG3 GLN A 51 9.924 -16.447 -5.113 1.00 0.00 H new ATOM 0 HE21 GLN A 51 9.523 -15.912 -1.655 1.00 0.00 H new ATOM 0 HE22 GLN A 51 10.884 -16.912 -1.136 1.00 0.00 H new ATOM 747 N ASN A 52 11.237 -15.226 -7.350 1.00 0.00 N ATOM 748 CA ASN A 52 11.102 -15.247 -8.830 1.00 0.00 C ATOM 749 C ASN A 52 9.635 -15.635 -9.243 1.00 0.00 C ATOM 750 O ASN A 52 9.357 -16.834 -9.360 1.00 0.00 O ATOM 751 CB ASN A 52 12.160 -16.221 -9.417 1.00 0.00 C ATOM 752 CG ASN A 52 12.450 -16.034 -10.922 1.00 0.00 C ATOM 753 OD1 ASN A 52 11.555 -15.738 -11.712 1.00 0.00 O ATOM 754 ND2 ASN A 52 13.694 -16.208 -11.347 1.00 0.00 N ATOM 0 H ASN A 52 10.678 -15.935 -6.876 1.00 0.00 H new ATOM 0 HA ASN A 52 11.288 -14.254 -9.240 1.00 0.00 H new ATOM 0 HB2 ASN A 52 13.091 -16.099 -8.864 1.00 0.00 H new ATOM 0 HB3 ASN A 52 11.823 -17.244 -9.251 1.00 0.00 H new ATOM 0 HD21 ASN A 52 13.915 -16.096 -12.336 1.00 0.00 H new ATOM 0 HD22 ASN A 52 14.430 -16.453 -10.684 1.00 0.00 H new ATOM 761 N PRO A 53 8.675 -14.681 -9.472 1.00 0.00 N ATOM 762 CA PRO A 53 7.312 -14.999 -9.968 1.00 0.00 C ATOM 763 C PRO A 53 7.341 -15.995 -11.160 1.00 0.00 C ATOM 764 O PRO A 53 8.385 -16.201 -11.791 1.00 0.00 O ATOM 765 CB PRO A 53 6.761 -13.605 -10.332 1.00 0.00 C ATOM 766 CG PRO A 53 7.536 -12.587 -9.494 1.00 0.00 C ATOM 767 CD PRO A 53 8.897 -13.232 -9.249 1.00 0.00 C ATOM 0 HA PRO A 53 6.684 -15.516 -9.242 1.00 0.00 H new ATOM 0 HB2 PRO A 53 6.888 -13.406 -11.396 1.00 0.00 H new ATOM 0 HB3 PRO A 53 5.693 -13.545 -10.122 1.00 0.00 H new ATOM 0 HG2 PRO A 53 7.638 -11.638 -10.021 1.00 0.00 H new ATOM 0 HG3 PRO A 53 7.024 -12.377 -8.555 1.00 0.00 H new ATOM 0 HD2 PRO A 53 9.650 -12.838 -9.931 1.00 0.00 H new ATOM 0 HD3 PRO A 53 9.251 -13.037 -8.237 1.00 0.00 H new ATOM 775 N THR A 54 6.171 -16.583 -11.477 1.00 0.00 N ATOM 776 CA THR A 54 6.012 -17.553 -12.593 1.00 0.00 C ATOM 777 C THR A 54 5.034 -16.950 -13.639 1.00 0.00 C ATOM 778 O THR A 54 4.324 -15.979 -13.350 1.00 0.00 O ATOM 779 CB THR A 54 5.564 -18.961 -12.088 1.00 0.00 C ATOM 780 OG1 THR A 54 6.248 -19.991 -12.798 1.00 0.00 O ATOM 781 CG2 THR A 54 4.053 -19.242 -12.182 1.00 0.00 C ATOM 0 H THR A 54 5.305 -16.403 -10.970 1.00 0.00 H new ATOM 0 HA THR A 54 6.978 -17.718 -13.071 1.00 0.00 H new ATOM 0 HB THR A 54 5.822 -18.957 -11.029 1.00 0.00 H new ATOM 0 HG1 THR A 54 5.956 -20.866 -12.467 1.00 0.00 H new ATOM 0 HG21 THR A 54 3.845 -20.244 -11.807 1.00 0.00 H new ATOM 0 HG22 THR A 54 3.509 -18.511 -11.584 1.00 0.00 H new ATOM 0 HG23 THR A 54 3.733 -19.170 -13.222 1.00 0.00 H new ATOM 789 N LYS A 55 5.034 -17.519 -14.858 1.00 0.00 N ATOM 790 CA LYS A 55 4.243 -16.993 -16.002 1.00 0.00 C ATOM 791 C LYS A 55 2.740 -17.036 -15.613 1.00 0.00 C ATOM 792 O LYS A 55 2.067 -15.999 -15.580 1.00 0.00 O ATOM 793 CB LYS A 55 4.551 -17.809 -17.295 1.00 0.00 C ATOM 794 CG LYS A 55 3.878 -17.335 -18.606 1.00 0.00 C ATOM 795 CD LYS A 55 3.485 -18.461 -19.589 1.00 0.00 C ATOM 796 CE LYS A 55 2.317 -19.350 -19.116 1.00 0.00 C ATOM 797 NZ LYS A 55 1.296 -19.575 -20.158 1.00 0.00 N ATOM 0 H LYS A 55 5.577 -18.352 -15.084 1.00 0.00 H new ATOM 0 HA LYS A 55 4.515 -15.960 -16.220 1.00 0.00 H new ATOM 0 HB2 LYS A 55 5.630 -17.805 -17.448 1.00 0.00 H new ATOM 0 HB3 LYS A 55 4.258 -18.844 -17.119 1.00 0.00 H new ATOM 0 HG2 LYS A 55 2.983 -16.768 -18.351 1.00 0.00 H new ATOM 0 HG3 LYS A 55 4.555 -16.650 -19.116 1.00 0.00 H new ATOM 0 HD2 LYS A 55 3.218 -18.013 -20.546 1.00 0.00 H new ATOM 0 HD3 LYS A 55 4.356 -19.092 -19.765 1.00 0.00 H new ATOM 0 HE2 LYS A 55 2.711 -20.312 -18.789 1.00 0.00 H new ATOM 0 HE3 LYS A 55 1.846 -18.888 -18.249 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 0.539 -20.179 -19.778 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 0.895 -18.662 -20.454 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 1.733 -20.043 -20.977 1.00 0.00 H new ATOM 811 N GLU A 56 2.226 -18.251 -15.351 1.00 0.00 N ATOM 812 CA GLU A 56 0.783 -18.481 -15.074 1.00 0.00 C ATOM 813 C GLU A 56 0.368 -17.608 -13.858 1.00 0.00 C ATOM 814 O GLU A 56 -0.705 -16.993 -13.859 1.00 0.00 O ATOM 815 CB GLU A 56 0.507 -19.999 -14.874 1.00 0.00 C ATOM 816 CG GLU A 56 0.262 -20.830 -16.156 1.00 0.00 C ATOM 817 CD GLU A 56 -0.208 -22.264 -15.894 1.00 0.00 C ATOM 818 OE1 GLU A 56 0.104 -22.816 -14.815 1.00 0.00 O ATOM 819 OE2 GLU A 56 -0.891 -22.847 -16.766 1.00 0.00 O ATOM 0 H GLU A 56 2.789 -19.101 -15.324 1.00 0.00 H new ATOM 0 HA GLU A 56 0.168 -18.178 -15.922 1.00 0.00 H new ATOM 0 HB2 GLU A 56 1.354 -20.433 -14.343 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -0.364 -20.105 -14.227 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -0.483 -20.322 -16.768 1.00 0.00 H new ATOM 0 HG3 GLU A 56 1.184 -20.862 -16.737 1.00 0.00 H new ATOM 826 N GLU A 57 1.220 -17.592 -12.815 1.00 0.00 N ATOM 827 CA GLU A 57 0.920 -16.898 -11.534 1.00 0.00 C ATOM 828 C GLU A 57 0.722 -15.383 -11.813 1.00 0.00 C ATOM 829 O GLU A 57 -0.070 -14.715 -11.136 1.00 0.00 O ATOM 830 CB GLU A 57 2.020 -17.172 -10.468 1.00 0.00 C ATOM 831 CG GLU A 57 1.588 -17.217 -8.981 1.00 0.00 C ATOM 832 CD GLU A 57 2.160 -16.082 -8.126 1.00 0.00 C ATOM 833 OE1 GLU A 57 2.579 -15.049 -8.693 1.00 0.00 O ATOM 834 OE2 GLU A 57 2.190 -16.219 -6.882 1.00 0.00 O ATOM 0 H GLU A 57 2.130 -18.053 -12.829 1.00 0.00 H new ATOM 0 HA GLU A 57 -0.005 -17.292 -11.113 1.00 0.00 H new ATOM 0 HB2 GLU A 57 2.490 -18.125 -10.709 1.00 0.00 H new ATOM 0 HB3 GLU A 57 2.786 -16.403 -10.571 1.00 0.00 H new ATOM 0 HG2 GLU A 57 0.500 -17.183 -8.929 1.00 0.00 H new ATOM 0 HG3 GLU A 57 1.898 -18.171 -8.553 1.00 0.00 H new ATOM 841 N LEU A 58 1.473 -14.849 -12.794 1.00 0.00 N ATOM 842 CA LEU A 58 1.483 -13.396 -13.110 1.00 0.00 C ATOM 843 C LEU A 58 0.044 -12.954 -13.493 1.00 0.00 C ATOM 844 O LEU A 58 -0.358 -11.815 -13.226 1.00 0.00 O ATOM 845 CB LEU A 58 2.539 -13.135 -14.223 1.00 0.00 C ATOM 846 CG LEU A 58 4.008 -12.928 -13.756 1.00 0.00 C ATOM 847 CD1 LEU A 58 5.037 -13.121 -14.891 1.00 0.00 C ATOM 848 CD2 LEU A 58 4.184 -11.533 -13.124 1.00 0.00 C ATOM 0 H LEU A 58 2.088 -15.403 -13.390 1.00 0.00 H new ATOM 0 HA LEU A 58 1.775 -12.793 -12.250 1.00 0.00 H new ATOM 0 HB2 LEU A 58 2.517 -13.976 -14.917 1.00 0.00 H new ATOM 0 HB3 LEU A 58 2.232 -12.252 -14.783 1.00 0.00 H new ATOM 0 HG LEU A 58 4.203 -13.699 -13.011 1.00 0.00 H new ATOM 0 HD11 LEU A 58 6.043 -12.963 -14.501 1.00 0.00 H new ATOM 0 HD12 LEU A 58 4.956 -14.133 -15.287 1.00 0.00 H new ATOM 0 HD13 LEU A 58 4.840 -12.403 -15.687 1.00 0.00 H new ATOM 0 HD21 LEU A 58 5.218 -11.407 -12.803 1.00 0.00 H new ATOM 0 HD22 LEU A 58 3.936 -10.767 -13.858 1.00 0.00 H new ATOM 0 HD23 LEU A 58 3.523 -11.438 -12.263 1.00 0.00 H new ATOM 860 N ASP A 59 -0.704 -13.862 -14.148 1.00 0.00 N ATOM 861 CA ASP A 59 -2.068 -13.575 -14.665 1.00 0.00 C ATOM 862 C ASP A 59 -2.973 -13.152 -13.476 1.00 0.00 C ATOM 863 O ASP A 59 -3.843 -12.285 -13.621 1.00 0.00 O ATOM 864 CB ASP A 59 -2.647 -14.781 -15.460 1.00 0.00 C ATOM 865 CG ASP A 59 -4.012 -14.555 -16.132 1.00 0.00 C ATOM 866 OD1 ASP A 59 -4.064 -13.881 -17.184 1.00 0.00 O ATOM 867 OD2 ASP A 59 -5.035 -15.048 -15.607 1.00 0.00 O ATOM 0 H ASP A 59 -0.387 -14.813 -14.336 1.00 0.00 H new ATOM 0 HA ASP A 59 -2.024 -12.752 -15.378 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -1.928 -15.062 -16.230 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -2.735 -15.629 -14.781 1.00 0.00 H new ATOM 872 N ALA A 60 -2.775 -13.799 -12.311 1.00 0.00 N ATOM 873 CA ALA A 60 -3.629 -13.590 -11.112 1.00 0.00 C ATOM 874 C ALA A 60 -3.183 -12.306 -10.359 1.00 0.00 C ATOM 875 O ALA A 60 -4.016 -11.583 -9.799 1.00 0.00 O ATOM 876 CB ALA A 60 -3.551 -14.840 -10.213 1.00 0.00 C ATOM 0 H ALA A 60 -2.026 -14.477 -12.169 1.00 0.00 H new ATOM 0 HA ALA A 60 -4.668 -13.448 -11.410 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -4.175 -14.694 -9.331 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -3.904 -15.709 -10.767 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -2.518 -15.002 -9.904 1.00 0.00 H new ATOM 882 N ILE A 61 -1.860 -12.061 -10.335 1.00 0.00 N ATOM 883 CA ILE A 61 -1.259 -10.884 -9.653 1.00 0.00 C ATOM 884 C ILE A 61 -1.915 -9.628 -10.292 1.00 0.00 C ATOM 885 O ILE A 61 -2.164 -8.632 -9.600 1.00 0.00 O ATOM 886 CB ILE A 61 0.315 -10.910 -9.710 1.00 0.00 C ATOM 887 CG1 ILE A 61 0.958 -11.425 -8.383 1.00 0.00 C ATOM 888 CG2 ILE A 61 0.920 -9.532 -10.094 1.00 0.00 C ATOM 889 CD1 ILE A 61 1.937 -10.460 -7.694 1.00 0.00 C ATOM 0 H ILE A 61 -1.174 -12.667 -10.784 1.00 0.00 H new ATOM 0 HA ILE A 61 -1.464 -10.884 -8.582 1.00 0.00 H new ATOM 0 HB ILE A 61 0.560 -11.620 -10.500 1.00 0.00 H new ATOM 0 HG12 ILE A 61 0.158 -11.662 -7.682 1.00 0.00 H new ATOM 0 HG13 ILE A 61 1.484 -12.356 -8.594 1.00 0.00 H new ATOM 0 HG21 ILE A 61 2.007 -9.606 -10.119 1.00 0.00 H new ATOM 0 HG22 ILE A 61 0.554 -9.235 -11.077 1.00 0.00 H new ATOM 0 HG23 ILE A 61 0.624 -8.786 -9.356 1.00 0.00 H new ATOM 0 HD11 ILE A 61 2.322 -10.920 -6.784 1.00 0.00 H new ATOM 0 HD12 ILE A 61 2.765 -10.240 -8.367 1.00 0.00 H new ATOM 0 HD13 ILE A 61 1.419 -9.535 -7.441 1.00 0.00 H new ATOM 901 N ILE A 62 -2.158 -9.679 -11.615 1.00 0.00 N ATOM 902 CA ILE A 62 -2.676 -8.529 -12.403 1.00 0.00 C ATOM 903 C ILE A 62 -4.189 -8.416 -12.068 1.00 0.00 C ATOM 904 O ILE A 62 -4.686 -7.320 -11.778 1.00 0.00 O ATOM 905 CB ILE A 62 -2.348 -8.671 -13.937 1.00 0.00 C ATOM 906 CG1 ILE A 62 -0.846 -8.390 -14.262 1.00 0.00 C ATOM 907 CG2 ILE A 62 -3.259 -7.782 -14.827 1.00 0.00 C ATOM 908 CD1 ILE A 62 -0.562 -7.783 -15.646 1.00 0.00 C ATOM 0 H ILE A 62 -2.003 -10.517 -12.175 1.00 0.00 H new ATOM 0 HA ILE A 62 -2.183 -7.595 -12.133 1.00 0.00 H new ATOM 0 HB ILE A 62 -2.554 -9.714 -14.176 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -0.450 -7.716 -13.503 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -0.294 -9.326 -14.177 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -2.990 -7.919 -15.874 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -4.301 -8.067 -14.680 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -3.127 -6.736 -14.552 1.00 0.00 H new ATOM 0 HD11 ILE A 62 0.511 -7.630 -15.763 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -0.919 -8.461 -16.421 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -1.077 -6.826 -15.736 1.00 0.00 H new ATOM 920 N GLU A 63 -4.911 -9.550 -12.140 1.00 0.00 N ATOM 921 CA GLU A 63 -6.370 -9.608 -11.856 1.00 0.00 C ATOM 922 C GLU A 63 -6.652 -8.836 -10.537 1.00 0.00 C ATOM 923 O GLU A 63 -7.689 -8.172 -10.406 1.00 0.00 O ATOM 924 CB GLU A 63 -6.863 -11.084 -11.825 1.00 0.00 C ATOM 925 CG GLU A 63 -8.354 -11.320 -12.161 1.00 0.00 C ATOM 926 CD GLU A 63 -8.682 -12.755 -12.586 1.00 0.00 C ATOM 927 OE1 GLU A 63 -8.055 -13.701 -12.059 1.00 0.00 O ATOM 928 OE2 GLU A 63 -9.571 -12.944 -13.446 1.00 0.00 O ATOM 0 H GLU A 63 -4.508 -10.452 -12.395 1.00 0.00 H new ATOM 0 HA GLU A 63 -6.936 -9.124 -12.651 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -6.260 -11.660 -12.527 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -6.669 -11.488 -10.831 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -8.956 -11.064 -11.289 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -8.647 -10.640 -12.961 1.00 0.00 H new ATOM 935 N GLU A 64 -5.718 -8.935 -9.574 1.00 0.00 N ATOM 936 CA GLU A 64 -5.857 -8.293 -8.240 1.00 0.00 C ATOM 937 C GLU A 64 -6.058 -6.768 -8.450 1.00 0.00 C ATOM 938 O GLU A 64 -7.019 -6.180 -7.939 1.00 0.00 O ATOM 939 CB GLU A 64 -4.637 -8.646 -7.342 1.00 0.00 C ATOM 940 CG GLU A 64 -4.844 -9.778 -6.308 1.00 0.00 C ATOM 941 CD GLU A 64 -5.336 -11.097 -6.912 1.00 0.00 C ATOM 942 OE1 GLU A 64 -6.241 -11.067 -7.775 1.00 0.00 O ATOM 943 OE2 GLU A 64 -4.818 -12.169 -6.528 1.00 0.00 O ATOM 0 H GLU A 64 -4.849 -9.457 -9.690 1.00 0.00 H new ATOM 0 HA GLU A 64 -6.731 -8.671 -7.709 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -3.806 -8.924 -7.990 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -4.336 -7.746 -6.806 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -3.902 -9.958 -5.789 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -5.562 -9.444 -5.559 1.00 0.00 H new ATOM 950 N VAL A 65 -5.142 -6.142 -9.213 1.00 0.00 N ATOM 951 CA VAL A 65 -5.139 -4.675 -9.458 1.00 0.00 C ATOM 952 C VAL A 65 -5.472 -4.451 -10.958 1.00 0.00 C ATOM 953 O VAL A 65 -4.829 -3.634 -11.631 1.00 0.00 O ATOM 954 CB VAL A 65 -3.791 -4.007 -9.003 1.00 0.00 C ATOM 955 CG1 VAL A 65 -2.548 -4.673 -9.640 1.00 0.00 C ATOM 956 CG2 VAL A 65 -3.713 -2.484 -9.275 1.00 0.00 C ATOM 0 H VAL A 65 -4.380 -6.634 -9.680 1.00 0.00 H new ATOM 0 HA VAL A 65 -5.898 -4.181 -8.852 1.00 0.00 H new ATOM 0 HB VAL A 65 -3.786 -4.164 -7.924 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -1.646 -4.171 -9.290 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -2.512 -5.724 -9.354 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -2.609 -4.594 -10.725 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -2.752 -2.102 -8.932 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -3.816 -2.300 -10.344 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -4.517 -1.977 -8.741 1.00 0.00 H new ATOM 966 N ASP A 66 -6.481 -5.181 -11.470 1.00 0.00 N ATOM 967 CA ASP A 66 -6.917 -5.076 -12.889 1.00 0.00 C ATOM 968 C ASP A 66 -8.458 -5.266 -12.949 1.00 0.00 C ATOM 969 O ASP A 66 -8.972 -6.125 -13.680 1.00 0.00 O ATOM 970 CB ASP A 66 -6.147 -6.075 -13.801 1.00 0.00 C ATOM 971 CG ASP A 66 -6.537 -6.069 -15.290 1.00 0.00 C ATOM 972 OD1 ASP A 66 -6.149 -5.127 -16.015 1.00 0.00 O ATOM 973 OD2 ASP A 66 -7.240 -7.004 -15.734 1.00 0.00 O ATOM 0 H ASP A 66 -7.017 -5.856 -10.924 1.00 0.00 H new ATOM 0 HA ASP A 66 -6.675 -4.087 -13.279 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -5.081 -5.859 -13.724 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -6.297 -7.082 -13.411 1.00 0.00 H new ATOM 978 N GLU A 67 -9.184 -4.479 -12.134 1.00 0.00 N ATOM 979 CA GLU A 67 -10.667 -4.509 -12.042 1.00 0.00 C ATOM 980 C GLU A 67 -11.268 -3.557 -13.114 1.00 0.00 C ATOM 981 O GLU A 67 -12.287 -2.878 -12.875 1.00 0.00 O ATOM 982 CB GLU A 67 -11.111 -4.161 -10.589 1.00 0.00 C ATOM 983 CG GLU A 67 -10.155 -3.262 -9.771 1.00 0.00 C ATOM 984 CD GLU A 67 -10.839 -2.474 -8.650 1.00 0.00 C ATOM 985 OE1 GLU A 67 -12.070 -2.263 -8.723 1.00 0.00 O ATOM 986 OE2 GLU A 67 -10.150 -2.065 -7.689 1.00 0.00 O ATOM 0 H GLU A 67 -8.758 -3.794 -11.510 1.00 0.00 H new ATOM 0 HA GLU A 67 -11.048 -5.508 -12.253 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -12.083 -3.670 -10.638 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -11.253 -5.094 -10.043 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -9.372 -3.884 -9.337 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -9.667 -2.560 -10.447 1.00 0.00 H new ATOM 993 N ASP A 68 -10.663 -3.521 -14.315 1.00 0.00 N ATOM 994 CA ASP A 68 -11.086 -2.629 -15.429 1.00 0.00 C ATOM 995 C ASP A 68 -11.551 -3.507 -16.621 1.00 0.00 C ATOM 996 O ASP A 68 -12.646 -3.316 -17.165 1.00 0.00 O ATOM 997 CB ASP A 68 -9.959 -1.630 -15.823 1.00 0.00 C ATOM 998 CG ASP A 68 -9.670 -1.495 -17.328 1.00 0.00 C ATOM 999 OD1 ASP A 68 -10.604 -1.177 -18.097 1.00 0.00 O ATOM 1000 OD2 ASP A 68 -8.507 -1.700 -17.743 1.00 0.00 O ATOM 0 H ASP A 68 -9.863 -4.109 -14.549 1.00 0.00 H new ATOM 0 HA ASP A 68 -11.923 -2.010 -15.106 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -10.221 -0.646 -15.434 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -9.040 -1.935 -15.323 1.00 0.00 H new ATOM 1005 N GLY A 69 -10.713 -4.490 -17.011 1.00 0.00 N ATOM 1006 CA GLY A 69 -11.034 -5.422 -18.121 1.00 0.00 C ATOM 1007 C GLY A 69 -9.843 -5.523 -19.108 1.00 0.00 C ATOM 1008 O GLY A 69 -9.540 -6.605 -19.626 1.00 0.00 O ATOM 0 H GLY A 69 -9.807 -4.662 -16.575 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -11.266 -6.409 -17.720 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -11.923 -5.076 -18.649 1.00 0.00 H new ATOM 1012 N SER A 70 -9.177 -4.380 -19.359 1.00 0.00 N ATOM 1013 CA SER A 70 -8.074 -4.271 -20.350 1.00 0.00 C ATOM 1014 C SER A 70 -7.070 -5.439 -20.161 1.00 0.00 C ATOM 1015 O SER A 70 -6.703 -6.127 -21.122 1.00 0.00 O ATOM 1016 CB SER A 70 -7.396 -2.887 -20.211 1.00 0.00 C ATOM 1017 OG SER A 70 -6.404 -2.894 -19.190 1.00 0.00 O ATOM 0 H SER A 70 -9.384 -3.502 -18.883 1.00 0.00 H new ATOM 0 HA SER A 70 -8.470 -4.350 -21.363 1.00 0.00 H new ATOM 0 HB2 SER A 70 -6.941 -2.606 -21.161 1.00 0.00 H new ATOM 0 HB3 SER A 70 -8.149 -2.133 -19.983 1.00 0.00 H new ATOM 0 HG SER A 70 -6.773 -2.499 -18.373 1.00 0.00 H new ATOM 1023 N GLY A 71 -6.639 -5.665 -18.903 1.00 0.00 N ATOM 1024 CA GLY A 71 -5.691 -6.756 -18.564 1.00 0.00 C ATOM 1025 C GLY A 71 -4.268 -6.181 -18.342 1.00 0.00 C ATOM 1026 O GLY A 71 -3.498 -6.699 -17.524 1.00 0.00 O ATOM 0 H GLY A 71 -6.931 -5.107 -18.101 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -6.027 -7.273 -17.665 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -5.672 -7.493 -19.367 1.00 0.00 H new ATOM 1030 N THR A 72 -3.940 -5.104 -19.082 1.00 0.00 N ATOM 1031 CA THR A 72 -2.656 -4.369 -18.934 1.00 0.00 C ATOM 1032 C THR A 72 -2.847 -3.240 -17.885 1.00 0.00 C ATOM 1033 O THR A 72 -3.961 -2.731 -17.704 1.00 0.00 O ATOM 1034 CB THR A 72 -2.120 -3.839 -20.301 1.00 0.00 C ATOM 1035 OG1 THR A 72 -3.184 -3.302 -21.084 1.00 0.00 O ATOM 1036 CG2 THR A 72 -1.375 -4.877 -21.161 1.00 0.00 C ATOM 0 H THR A 72 -4.552 -4.715 -19.799 1.00 0.00 H new ATOM 0 HA THR A 72 -1.887 -5.053 -18.576 1.00 0.00 H new ATOM 0 HB THR A 72 -1.394 -3.075 -20.023 1.00 0.00 H new ATOM 0 HG1 THR A 72 -2.829 -2.973 -21.936 1.00 0.00 H new ATOM 0 HG21 THR A 72 -1.043 -4.410 -22.088 1.00 0.00 H new ATOM 0 HG22 THR A 72 -0.510 -5.250 -20.613 1.00 0.00 H new ATOM 0 HG23 THR A 72 -2.044 -5.706 -21.391 1.00 0.00 H new ATOM 1044 N ILE A 73 -1.755 -2.866 -17.190 1.00 0.00 N ATOM 1045 CA ILE A 73 -1.773 -1.806 -16.147 1.00 0.00 C ATOM 1046 C ILE A 73 -1.323 -0.494 -16.846 1.00 0.00 C ATOM 1047 O ILE A 73 -0.121 -0.214 -16.943 1.00 0.00 O ATOM 1048 CB ILE A 73 -0.918 -2.206 -14.885 1.00 0.00 C ATOM 1049 CG1 ILE A 73 -1.552 -3.378 -14.071 1.00 0.00 C ATOM 1050 CG2 ILE A 73 -0.639 -0.999 -13.948 1.00 0.00 C ATOM 1051 CD1 ILE A 73 -1.146 -3.463 -12.590 1.00 0.00 C ATOM 0 H ILE A 73 -0.836 -3.285 -17.331 1.00 0.00 H new ATOM 0 HA ILE A 73 -2.771 -1.662 -15.733 1.00 0.00 H new ATOM 0 HB ILE A 73 0.034 -2.553 -15.286 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -2.637 -3.288 -14.126 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -1.285 -4.317 -14.555 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -0.047 -1.330 -13.095 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -0.090 -0.233 -14.495 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -1.584 -0.586 -13.595 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -1.645 -4.313 -12.124 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -0.066 -3.591 -12.516 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -1.439 -2.546 -12.079 1.00 0.00 H new ATOM 1063 N ASP A 74 -2.297 0.289 -17.346 1.00 0.00 N ATOM 1064 CA ASP A 74 -2.026 1.586 -18.024 1.00 0.00 C ATOM 1065 C ASP A 74 -1.616 2.633 -16.952 1.00 0.00 C ATOM 1066 O ASP A 74 -1.813 2.422 -15.746 1.00 0.00 O ATOM 1067 CB ASP A 74 -3.238 2.050 -18.883 1.00 0.00 C ATOM 1068 CG ASP A 74 -4.137 0.935 -19.444 1.00 0.00 C ATOM 1069 OD1 ASP A 74 -3.635 -0.187 -19.675 1.00 0.00 O ATOM 1070 OD2 ASP A 74 -5.344 1.181 -19.661 1.00 0.00 O ATOM 0 H ASP A 74 -3.287 0.050 -17.296 1.00 0.00 H new ATOM 0 HA ASP A 74 -1.201 1.467 -18.727 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -3.854 2.714 -18.277 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -2.861 2.639 -19.719 1.00 0.00 H new ATOM 1075 N PHE A 75 -1.061 3.774 -17.404 1.00 0.00 N ATOM 1076 CA PHE A 75 -0.577 4.852 -16.499 1.00 0.00 C ATOM 1077 C PHE A 75 -1.759 5.332 -15.612 1.00 0.00 C ATOM 1078 O PHE A 75 -1.562 5.723 -14.455 1.00 0.00 O ATOM 1079 CB PHE A 75 0.047 6.017 -17.322 1.00 0.00 C ATOM 1080 CG PHE A 75 0.757 7.105 -16.491 1.00 0.00 C ATOM 1081 CD1 PHE A 75 1.483 6.757 -15.345 1.00 0.00 C ATOM 1082 CD2 PHE A 75 0.695 8.448 -16.880 1.00 0.00 C ATOM 1083 CE1 PHE A 75 2.128 7.739 -14.597 1.00 0.00 C ATOM 1084 CE2 PHE A 75 1.341 9.428 -16.130 1.00 0.00 C ATOM 1085 CZ PHE A 75 2.056 9.073 -14.989 1.00 0.00 C ATOM 0 H PHE A 75 -0.933 3.980 -18.395 1.00 0.00 H new ATOM 0 HA PHE A 75 0.210 4.470 -15.849 1.00 0.00 H new ATOM 0 HB2 PHE A 75 0.763 5.598 -18.029 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -0.741 6.488 -17.909 1.00 0.00 H new ATOM 0 HD1 PHE A 75 1.543 5.723 -15.040 1.00 0.00 H new ATOM 0 HD2 PHE A 75 0.144 8.726 -17.766 1.00 0.00 H new ATOM 0 HE1 PHE A 75 2.684 7.466 -13.713 1.00 0.00 H new ATOM 0 HE2 PHE A 75 1.287 10.463 -16.433 1.00 0.00 H new ATOM 0 HZ PHE A 75 2.555 9.834 -14.407 1.00 0.00 H new ATOM 1095 N GLU A 76 -2.980 5.307 -16.177 1.00 0.00 N ATOM 1096 CA GLU A 76 -4.199 5.830 -15.505 1.00 0.00 C ATOM 1097 C GLU A 76 -4.423 5.064 -14.172 1.00 0.00 C ATOM 1098 O GLU A 76 -4.424 5.660 -13.088 1.00 0.00 O ATOM 1099 CB GLU A 76 -5.435 5.757 -16.449 1.00 0.00 C ATOM 1100 CG GLU A 76 -5.174 5.619 -17.969 1.00 0.00 C ATOM 1101 CD GLU A 76 -5.081 6.953 -18.716 1.00 0.00 C ATOM 1102 OE1 GLU A 76 -6.100 7.674 -18.795 1.00 0.00 O ATOM 1103 OE2 GLU A 76 -3.989 7.285 -19.229 1.00 0.00 O ATOM 0 H GLU A 76 -3.156 4.927 -17.107 1.00 0.00 H new ATOM 0 HA GLU A 76 -4.059 6.885 -15.268 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -6.046 4.911 -16.136 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -6.031 6.656 -16.291 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -4.246 5.067 -18.118 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -5.973 5.024 -18.410 1.00 0.00 H new ATOM 1110 N GLU A 77 -4.614 3.735 -14.274 1.00 0.00 N ATOM 1111 CA GLU A 77 -4.900 2.849 -13.115 1.00 0.00 C ATOM 1112 C GLU A 77 -3.650 2.728 -12.201 1.00 0.00 C ATOM 1113 O GLU A 77 -3.778 2.352 -11.026 1.00 0.00 O ATOM 1114 CB GLU A 77 -5.399 1.446 -13.578 1.00 0.00 C ATOM 1115 CG GLU A 77 -4.340 0.320 -13.620 1.00 0.00 C ATOM 1116 CD GLU A 77 -4.720 -0.829 -14.557 1.00 0.00 C ATOM 1117 OE1 GLU A 77 -5.184 -0.561 -15.688 1.00 0.00 O ATOM 1118 OE2 GLU A 77 -4.559 -2.007 -14.168 1.00 0.00 O ATOM 0 H GLU A 77 -4.575 3.238 -15.164 1.00 0.00 H new ATOM 0 HA GLU A 77 -5.704 3.302 -12.535 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -6.204 1.133 -12.913 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -5.829 1.548 -14.574 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -3.385 0.739 -13.938 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -4.196 -0.073 -12.613 1.00 0.00 H new ATOM 1125 N PHE A 78 -2.455 3.029 -12.740 1.00 0.00 N ATOM 1126 CA PHE A 78 -1.174 2.943 -11.987 1.00 0.00 C ATOM 1127 C PHE A 78 -1.210 3.951 -10.807 1.00 0.00 C ATOM 1128 O PHE A 78 -0.703 3.662 -9.715 1.00 0.00 O ATOM 1129 CB PHE A 78 0.036 3.186 -12.941 1.00 0.00 C ATOM 1130 CG PHE A 78 1.422 2.874 -12.340 1.00 0.00 C ATOM 1131 CD1 PHE A 78 1.552 1.960 -11.288 1.00 0.00 C ATOM 1132 CD2 PHE A 78 2.571 3.466 -12.878 1.00 0.00 C ATOM 1133 CE1 PHE A 78 2.810 1.651 -10.777 1.00 0.00 C ATOM 1134 CE2 PHE A 78 3.828 3.154 -12.367 1.00 0.00 C ATOM 1135 CZ PHE A 78 3.947 2.250 -11.315 1.00 0.00 C ATOM 0 H PHE A 78 -2.342 3.338 -13.705 1.00 0.00 H new ATOM 0 HA PHE A 78 -1.049 1.943 -11.573 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -0.099 2.577 -13.835 1.00 0.00 H new ATOM 0 HB3 PHE A 78 0.023 4.228 -13.260 1.00 0.00 H new ATOM 0 HD1 PHE A 78 0.673 1.492 -10.871 1.00 0.00 H new ATOM 0 HD2 PHE A 78 2.482 4.168 -13.694 1.00 0.00 H new ATOM 0 HE1 PHE A 78 2.904 0.947 -9.964 1.00 0.00 H new ATOM 0 HE2 PHE A 78 4.711 3.613 -12.787 1.00 0.00 H new ATOM 0 HZ PHE A 78 4.922 2.013 -10.915 1.00 0.00 H new ATOM 1145 N LEU A 79 -1.810 5.132 -11.043 1.00 0.00 N ATOM 1146 CA LEU A 79 -1.830 6.245 -10.056 1.00 0.00 C ATOM 1147 C LEU A 79 -2.824 5.880 -8.920 1.00 0.00 C ATOM 1148 O LEU A 79 -2.598 6.221 -7.752 1.00 0.00 O ATOM 1149 CB LEU A 79 -2.212 7.590 -10.747 1.00 0.00 C ATOM 1150 CG LEU A 79 -1.074 8.383 -11.453 1.00 0.00 C ATOM 1151 CD1 LEU A 79 -1.606 9.581 -12.268 1.00 0.00 C ATOM 1152 CD2 LEU A 79 -0.018 8.867 -10.440 1.00 0.00 C ATOM 0 H LEU A 79 -2.294 5.348 -11.915 1.00 0.00 H new ATOM 0 HA LEU A 79 -0.837 6.383 -9.629 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -2.985 7.381 -11.486 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -2.658 8.240 -9.994 1.00 0.00 H new ATOM 0 HG LEU A 79 -0.606 7.688 -12.151 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -0.771 10.100 -12.740 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -2.291 9.223 -13.036 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -2.131 10.268 -11.604 1.00 0.00 H new ATOM 0 HD21 LEU A 79 0.763 9.417 -10.964 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -0.491 9.519 -9.705 1.00 0.00 H new ATOM 0 HD23 LEU A 79 0.421 8.008 -9.933 1.00 0.00 H new ATOM 1164 N VAL A 80 -3.930 5.205 -9.281 1.00 0.00 N ATOM 1165 CA VAL A 80 -4.989 4.790 -8.321 1.00 0.00 C ATOM 1166 C VAL A 80 -4.399 3.695 -7.391 1.00 0.00 C ATOM 1167 O VAL A 80 -4.761 3.612 -6.210 1.00 0.00 O ATOM 1168 CB VAL A 80 -6.301 4.345 -9.063 1.00 0.00 C ATOM 1169 CG1 VAL A 80 -7.520 4.139 -8.130 1.00 0.00 C ATOM 1170 CG2 VAL A 80 -6.716 5.326 -10.186 1.00 0.00 C ATOM 0 H VAL A 80 -4.122 4.928 -10.244 1.00 0.00 H new ATOM 0 HA VAL A 80 -5.295 5.635 -7.704 1.00 0.00 H new ATOM 0 HB VAL A 80 -6.030 3.380 -9.492 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -8.383 3.833 -8.721 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -7.290 3.366 -7.396 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -7.746 5.073 -7.615 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -7.628 4.968 -10.663 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -6.893 6.313 -9.760 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -5.919 5.389 -10.927 1.00 0.00 H new ATOM 1180 N MET A 81 -3.512 2.845 -7.942 1.00 0.00 N ATOM 1181 CA MET A 81 -2.868 1.731 -7.195 1.00 0.00 C ATOM 1182 C MET A 81 -2.112 2.326 -5.975 1.00 0.00 C ATOM 1183 O MET A 81 -2.387 1.962 -4.825 1.00 0.00 O ATOM 1184 CB MET A 81 -1.929 0.900 -8.116 1.00 0.00 C ATOM 1185 CG MET A 81 -1.356 -0.391 -7.503 1.00 0.00 C ATOM 1186 SD MET A 81 0.337 -0.652 -8.079 1.00 0.00 S ATOM 1187 CE MET A 81 0.237 -2.336 -8.721 1.00 0.00 C ATOM 0 H MET A 81 -3.217 2.905 -8.917 1.00 0.00 H new ATOM 0 HA MET A 81 -3.630 1.038 -6.837 1.00 0.00 H new ATOM 0 HB2 MET A 81 -2.478 0.637 -9.020 1.00 0.00 H new ATOM 0 HB3 MET A 81 -1.097 1.535 -8.422 1.00 0.00 H new ATOM 0 HG2 MET A 81 -1.372 -0.325 -6.415 1.00 0.00 H new ATOM 0 HG3 MET A 81 -1.978 -1.242 -7.780 1.00 0.00 H new ATOM 0 HE1 MET A 81 1.241 -2.706 -8.930 1.00 0.00 H new ATOM 0 HE2 MET A 81 -0.240 -2.979 -7.982 1.00 0.00 H new ATOM 0 HE3 MET A 81 -0.350 -2.341 -9.639 1.00 0.00 H new ATOM 1197 N MET A 82 -1.137 3.213 -6.250 1.00 0.00 N ATOM 1198 CA MET A 82 -0.241 3.780 -5.205 1.00 0.00 C ATOM 1199 C MET A 82 -1.057 4.684 -4.240 1.00 0.00 C ATOM 1200 O MET A 82 -0.710 4.816 -3.059 1.00 0.00 O ATOM 1201 CB MET A 82 0.931 4.548 -5.878 1.00 0.00 C ATOM 1202 CG MET A 82 2.147 3.691 -6.279 1.00 0.00 C ATOM 1203 SD MET A 82 3.531 3.950 -5.143 1.00 0.00 S ATOM 1204 CE MET A 82 4.835 2.984 -5.931 1.00 0.00 C ATOM 0 H MET A 82 -0.943 3.558 -7.190 1.00 0.00 H new ATOM 0 HA MET A 82 0.191 2.975 -4.610 1.00 0.00 H new ATOM 0 HB2 MET A 82 0.550 5.046 -6.770 1.00 0.00 H new ATOM 0 HB3 MET A 82 1.269 5.329 -5.196 1.00 0.00 H new ATOM 0 HG2 MET A 82 1.868 2.637 -6.282 1.00 0.00 H new ATOM 0 HG3 MET A 82 2.454 3.943 -7.294 1.00 0.00 H new ATOM 0 HE1 MET A 82 5.747 3.053 -5.339 1.00 0.00 H new ATOM 0 HE2 MET A 82 4.525 1.941 -5.999 1.00 0.00 H new ATOM 0 HE3 MET A 82 5.022 3.373 -6.932 1.00 0.00 H new ATOM 1214 N VAL A 83 -2.120 5.323 -4.764 1.00 0.00 N ATOM 1215 CA VAL A 83 -2.934 6.314 -4.008 1.00 0.00 C ATOM 1216 C VAL A 83 -3.669 5.554 -2.871 1.00 0.00 C ATOM 1217 O VAL A 83 -3.866 6.098 -1.776 1.00 0.00 O ATOM 1218 CB VAL A 83 -3.894 7.124 -4.951 1.00 0.00 C ATOM 1219 CG1 VAL A 83 -5.171 7.616 -4.226 1.00 0.00 C ATOM 1220 CG2 VAL A 83 -3.231 8.344 -5.638 1.00 0.00 C ATOM 0 H VAL A 83 -2.444 5.173 -5.719 1.00 0.00 H new ATOM 0 HA VAL A 83 -2.294 7.075 -3.561 1.00 0.00 H new ATOM 0 HB VAL A 83 -4.158 6.398 -5.720 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -5.797 8.169 -4.926 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -5.725 6.759 -3.843 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -4.891 8.267 -3.397 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -3.962 8.847 -6.271 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -2.870 9.038 -4.879 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -2.394 8.007 -6.249 1.00 0.00 H new ATOM 1230 N ARG A 84 -4.093 4.309 -3.153 1.00 0.00 N ATOM 1231 CA ARG A 84 -4.917 3.490 -2.224 1.00 0.00 C ATOM 1232 C ARG A 84 -4.198 3.425 -0.848 1.00 0.00 C ATOM 1233 O ARG A 84 -4.843 3.538 0.204 1.00 0.00 O ATOM 1234 CB ARG A 84 -5.145 2.067 -2.809 1.00 0.00 C ATOM 1235 CG ARG A 84 -6.472 1.883 -3.582 1.00 0.00 C ATOM 1236 CD ARG A 84 -6.352 0.876 -4.741 1.00 0.00 C ATOM 1237 NE ARG A 84 -5.662 -0.370 -4.319 1.00 0.00 N ATOM 1238 CZ ARG A 84 -6.214 -1.326 -3.545 1.00 0.00 C ATOM 1239 NH1 ARG A 84 -7.523 -1.535 -3.544 1.00 0.00 N ATOM 1240 NH2 ARG A 84 -5.471 -2.049 -2.718 1.00 0.00 N ATOM 0 H ARG A 84 -3.878 3.835 -4.030 1.00 0.00 H new ATOM 0 HA ARG A 84 -5.898 3.948 -2.094 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -4.317 1.828 -3.476 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -5.115 1.346 -1.992 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -7.245 1.546 -2.892 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -6.795 2.847 -3.976 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -7.346 0.632 -5.115 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -5.805 1.334 -5.565 1.00 0.00 H new ATOM 0 HE ARG A 84 -4.703 -0.512 -4.637 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -8.130 -0.968 -4.135 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -7.923 -2.263 -2.952 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -4.466 -1.886 -2.661 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -5.905 -2.768 -2.139 1.00 0.00 H new ATOM 1254 N GLN A 85 -2.870 3.213 -0.869 1.00 0.00 N ATOM 1255 CA GLN A 85 -2.061 3.003 0.362 1.00 0.00 C ATOM 1256 C GLN A 85 -2.085 4.309 1.203 1.00 0.00 C ATOM 1257 O GLN A 85 -2.085 4.261 2.440 1.00 0.00 O ATOM 1258 CB GLN A 85 -0.618 2.560 -0.013 1.00 0.00 C ATOM 1259 CG GLN A 85 0.444 3.678 -0.148 1.00 0.00 C ATOM 1260 CD GLN A 85 1.891 3.214 0.100 1.00 0.00 C ATOM 1261 OE1 GLN A 85 2.676 3.896 0.759 1.00 0.00 O ATOM 1262 NE2 GLN A 85 2.272 2.053 -0.413 1.00 0.00 N ATOM 0 H GLN A 85 -2.323 3.181 -1.729 1.00 0.00 H new ATOM 0 HA GLN A 85 -2.485 2.202 0.968 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -0.273 1.853 0.742 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -0.664 2.019 -0.958 1.00 0.00 H new ATOM 0 HG2 GLN A 85 0.379 4.105 -1.149 1.00 0.00 H new ATOM 0 HG3 GLN A 85 0.206 4.476 0.555 1.00 0.00 H new ATOM 0 HE21 GLN A 85 1.614 1.495 -0.957 1.00 0.00 H new ATOM 0 HE22 GLN A 85 3.223 1.717 -0.263 1.00 0.00 H new ATOM 1271 N MET A 86 -2.072 5.464 0.514 1.00 0.00 N ATOM 1272 CA MET A 86 -1.981 6.801 1.161 1.00 0.00 C ATOM 1273 C MET A 86 -3.056 6.873 2.280 1.00 0.00 C ATOM 1274 O MET A 86 -2.823 7.468 3.339 1.00 0.00 O ATOM 1275 CB MET A 86 -2.138 7.945 0.121 1.00 0.00 C ATOM 1276 CG MET A 86 -0.974 8.953 0.052 1.00 0.00 C ATOM 1277 SD MET A 86 -1.594 10.633 0.289 1.00 0.00 S ATOM 1278 CE MET A 86 -2.962 10.674 -0.888 1.00 0.00 C ATOM 0 H MET A 86 -2.124 5.506 -0.504 1.00 0.00 H new ATOM 0 HA MET A 86 -0.994 6.935 1.604 1.00 0.00 H new ATOM 0 HB2 MET A 86 -2.266 7.499 -0.865 1.00 0.00 H new ATOM 0 HB3 MET A 86 -3.054 8.491 0.345 1.00 0.00 H new ATOM 0 HG2 MET A 86 -0.234 8.719 0.817 1.00 0.00 H new ATOM 0 HG3 MET A 86 -0.472 8.875 -0.912 1.00 0.00 H new ATOM 0 HE1 MET A 86 -3.130 11.700 -1.215 1.00 0.00 H new ATOM 0 HE2 MET A 86 -2.719 10.053 -1.750 1.00 0.00 H new ATOM 0 HE3 MET A 86 -3.865 10.293 -0.410 1.00 0.00 H new ATOM 1288 N LYS A 87 -4.229 6.262 2.025 1.00 0.00 N ATOM 1289 CA LYS A 87 -5.399 6.330 2.941 1.00 0.00 C ATOM 1290 C LYS A 87 -4.928 5.942 4.369 1.00 0.00 C ATOM 1291 O LYS A 87 -4.120 5.020 4.539 1.00 0.00 O ATOM 1292 CB LYS A 87 -6.550 5.386 2.492 1.00 0.00 C ATOM 1293 CG LYS A 87 -6.497 3.952 3.070 1.00 0.00 C ATOM 1294 CD LYS A 87 -7.749 3.091 2.801 1.00 0.00 C ATOM 1295 CE LYS A 87 -7.664 2.195 1.549 1.00 0.00 C ATOM 1296 NZ LYS A 87 -8.960 1.562 1.251 1.00 0.00 N ATOM 0 H LYS A 87 -4.398 5.709 1.185 1.00 0.00 H new ATOM 0 HA LYS A 87 -5.793 7.346 2.924 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -7.500 5.839 2.776 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -6.540 5.321 1.404 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -5.628 3.442 2.655 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -6.344 4.017 4.147 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -7.931 2.459 3.670 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -8.611 3.751 2.700 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -7.344 2.791 0.694 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -6.908 1.425 1.702 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -8.869 0.966 0.403 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -9.253 0.974 2.057 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -9.675 2.298 1.081 1.00 0.00 H new