USER MOD reduce.3.24.130724 H: found=0, std=0, add=610, rem=0, adj=13 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 15 SER OG : rot 180:sc= 0.0182 USER MOD Set 1.2: A 18 MET CE :methyl -110:sc= -6.57! (180deg=-8.96!) USER MOD Single : A 6 GLN : amide:sc= -1.52! C(o=-1.5!,f=-3.2!) USER MOD Single : A 7 GLN : amide:sc= -0.238 K(o=-0.24,f=-1.6!) USER MOD Single : A 23 LYS NZ :NH3+ 162:sc= -0.551 (180deg=-1.66!) USER MOD Single : A 28 MET CE :methyl 152:sc= -0.445 (180deg=-1.74!) USER MOD Single : A 38 SER OG : rot -172:sc= -5.48! USER MOD Single : A 39 THR OG1 : rot 180:sc= 0.0752 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 -157:sc= -0.0185 (180deg=-0.371) USER MOD Single : A 48 MET CE :methyl 180:sc= -0.01 (180deg=-0.01) USER MOD Single : A 51 GLN : amide:sc= 0 X(o=0,f=-0.016) USER MOD Single : A 52 ASN : amide:sc= -0.094 K(o=-0.094,f=-1.4!) 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 70 SER OG : rot -82:sc= 0.172 USER MOD Single : A 72 THR OG1 : rot 89:sc= 0.0347 USER MOD Single : A 81 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 82 MET CE :methyl -161:sc= -0.753! (180deg=-2.02!) USER MOD Single : A 85 GLN : amide:sc= -0.0186 X(o=-0.019,f=0) USER MOD Single : A 86 MET CE :methyl -174:sc= -5.85! (180deg=-5.98) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 55 N ASP A 5 -15.373 5.569 -11.390 1.00 0.00 N ATOM 56 CA ASP A 5 -14.652 6.825 -11.059 1.00 0.00 C ATOM 57 C ASP A 5 -13.408 6.492 -10.188 1.00 0.00 C ATOM 58 O ASP A 5 -13.141 7.169 -9.183 1.00 0.00 O ATOM 59 CB ASP A 5 -15.593 7.854 -10.364 1.00 0.00 C ATOM 60 CG ASP A 5 -16.371 8.796 -11.298 1.00 0.00 C ATOM 61 OD1 ASP A 5 -15.803 9.236 -12.323 1.00 0.00 O ATOM 62 OD2 ASP A 5 -17.549 9.102 -11.008 1.00 0.00 O ATOM 0 HA ASP A 5 -14.312 7.295 -11.982 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -16.311 7.305 -9.754 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -14.995 8.461 -9.684 1.00 0.00 H new ATOM 67 N GLN A 6 -12.652 5.451 -10.581 1.00 0.00 N ATOM 68 CA GLN A 6 -11.471 4.961 -9.821 1.00 0.00 C ATOM 69 C GLN A 6 -10.244 5.825 -10.221 1.00 0.00 C ATOM 70 O GLN A 6 -9.511 6.322 -9.358 1.00 0.00 O ATOM 71 CB GLN A 6 -11.247 3.446 -10.090 1.00 0.00 C ATOM 72 CG GLN A 6 -10.383 3.091 -11.325 1.00 0.00 C ATOM 73 CD GLN A 6 -10.232 1.583 -11.587 1.00 0.00 C ATOM 74 OE1 GLN A 6 -11.182 0.905 -11.979 1.00 0.00 O ATOM 75 NE2 GLN A 6 -9.047 1.027 -11.384 1.00 0.00 N ATOM 0 H GLN A 6 -12.836 4.921 -11.433 1.00 0.00 H new ATOM 0 HA GLN A 6 -11.631 5.062 -8.748 1.00 0.00 H new ATOM 0 HB2 GLN A 6 -10.781 3.007 -9.208 1.00 0.00 H new ATOM 0 HB3 GLN A 6 -12.221 2.971 -10.205 1.00 0.00 H new ATOM 0 HG2 GLN A 6 -10.823 3.558 -12.206 1.00 0.00 H new ATOM 0 HG3 GLN A 6 -9.392 3.525 -11.196 1.00 0.00 H new ATOM 0 HE21 GLN A 6 -8.265 1.596 -11.059 1.00 0.00 H new ATOM 0 HE22 GLN A 6 -8.916 0.030 -11.553 1.00 0.00 H new ATOM 84 N GLN A 7 -10.035 5.987 -11.541 1.00 0.00 N ATOM 85 CA GLN A 7 -8.901 6.770 -12.099 1.00 0.00 C ATOM 86 C GLN A 7 -9.127 8.274 -11.784 1.00 0.00 C ATOM 87 O GLN A 7 -8.165 9.039 -11.640 1.00 0.00 O ATOM 88 CB GLN A 7 -8.771 6.567 -13.636 1.00 0.00 C ATOM 89 CG GLN A 7 -9.154 5.168 -14.170 1.00 0.00 C ATOM 90 CD GLN A 7 -10.029 5.238 -15.433 1.00 0.00 C ATOM 91 OE1 GLN A 7 -10.746 6.213 -15.659 1.00 0.00 O ATOM 92 NE2 GLN A 7 -9.990 4.220 -16.280 1.00 0.00 N ATOM 0 H GLN A 7 -10.642 5.583 -12.254 1.00 0.00 H new ATOM 0 HA GLN A 7 -7.976 6.421 -11.639 1.00 0.00 H new ATOM 0 HB2 GLN A 7 -9.396 7.308 -14.134 1.00 0.00 H new ATOM 0 HB3 GLN A 7 -7.740 6.774 -13.924 1.00 0.00 H new ATOM 0 HG2 GLN A 7 -8.246 4.606 -14.392 1.00 0.00 H new ATOM 0 HG3 GLN A 7 -9.687 4.620 -13.393 1.00 0.00 H new ATOM 0 HE21 GLN A 7 -9.393 3.416 -16.084 1.00 0.00 H new ATOM 0 HE22 GLN A 7 -10.557 4.240 -17.128 1.00 0.00 H new ATOM 101 N ALA A 8 -10.405 8.686 -11.685 1.00 0.00 N ATOM 102 CA ALA A 8 -10.783 10.094 -11.390 1.00 0.00 C ATOM 103 C ALA A 8 -10.279 10.496 -9.977 1.00 0.00 C ATOM 104 O ALA A 8 -9.887 11.647 -9.751 1.00 0.00 O ATOM 105 CB ALA A 8 -12.312 10.244 -11.518 1.00 0.00 C ATOM 0 H ALA A 8 -11.204 8.063 -11.805 1.00 0.00 H new ATOM 0 HA ALA A 8 -10.312 10.767 -12.106 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -12.596 11.274 -11.303 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -12.619 9.987 -12.532 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -12.804 9.577 -10.810 1.00 0.00 H new ATOM 111 N GLU A 9 -10.325 9.539 -9.032 1.00 0.00 N ATOM 112 CA GLU A 9 -9.969 9.776 -7.608 1.00 0.00 C ATOM 113 C GLU A 9 -8.437 10.005 -7.495 1.00 0.00 C ATOM 114 O GLU A 9 -7.987 11.007 -6.926 1.00 0.00 O ATOM 115 CB GLU A 9 -10.445 8.612 -6.691 1.00 0.00 C ATOM 116 CG GLU A 9 -11.945 8.603 -6.312 1.00 0.00 C ATOM 117 CD GLU A 9 -12.219 7.932 -4.964 1.00 0.00 C ATOM 118 OE1 GLU A 9 -11.345 7.988 -4.071 1.00 0.00 O ATOM 119 OE2 GLU A 9 -13.308 7.341 -4.791 1.00 0.00 O ATOM 0 H GLU A 9 -10.609 8.579 -9.227 1.00 0.00 H new ATOM 0 HA GLU A 9 -10.488 10.669 -7.260 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -10.212 7.670 -7.187 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -9.861 8.641 -5.771 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -12.312 9.629 -6.282 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -12.507 8.086 -7.090 1.00 0.00 H new ATOM 126 N ALA A 10 -7.650 9.047 -8.019 1.00 0.00 N ATOM 127 CA ALA A 10 -6.164 9.091 -7.955 1.00 0.00 C ATOM 128 C ALA A 10 -5.623 10.325 -8.729 1.00 0.00 C ATOM 129 O ALA A 10 -4.547 10.846 -8.409 1.00 0.00 O ATOM 130 CB ALA A 10 -5.599 7.771 -8.516 1.00 0.00 C ATOM 0 H ALA A 10 -8.016 8.223 -8.497 1.00 0.00 H new ATOM 0 HA ALA A 10 -5.839 9.196 -6.920 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -4.510 7.794 -8.473 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -5.968 6.935 -7.921 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -5.919 7.649 -9.551 1.00 0.00 H new ATOM 136 N ARG A 11 -6.368 10.757 -9.763 1.00 0.00 N ATOM 137 CA ARG A 11 -5.945 11.852 -10.678 1.00 0.00 C ATOM 138 C ARG A 11 -6.112 13.200 -9.926 1.00 0.00 C ATOM 139 O ARG A 11 -5.267 14.096 -10.043 1.00 0.00 O ATOM 140 CB ARG A 11 -6.784 11.824 -11.987 1.00 0.00 C ATOM 141 CG ARG A 11 -7.027 13.204 -12.642 1.00 0.00 C ATOM 142 CD ARG A 11 -7.266 13.107 -14.161 1.00 0.00 C ATOM 143 NE ARG A 11 -8.102 14.227 -14.661 1.00 0.00 N ATOM 144 CZ ARG A 11 -7.953 14.820 -15.864 1.00 0.00 C ATOM 145 NH1 ARG A 11 -7.519 14.139 -16.915 1.00 0.00 N ATOM 146 NH2 ARG A 11 -8.294 16.089 -16.046 1.00 0.00 N ATOM 0 H ARG A 11 -7.280 10.363 -9.994 1.00 0.00 H new ATOM 0 HA ARG A 11 -4.902 11.724 -10.966 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -6.281 11.181 -12.709 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -7.750 11.367 -11.771 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -7.889 13.678 -12.172 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -6.167 13.847 -12.454 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -6.308 13.109 -14.680 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -7.752 12.159 -14.393 1.00 0.00 H new ATOM 0 HE ARG A 11 -8.843 14.573 -14.051 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -7.291 13.149 -16.823 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -7.413 14.605 -17.816 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -8.675 16.631 -15.270 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -8.175 16.523 -16.961 1.00 0.00 H new ATOM 160 N ALA A 12 -7.225 13.333 -9.180 1.00 0.00 N ATOM 161 CA ALA A 12 -7.579 14.590 -8.467 1.00 0.00 C ATOM 162 C ALA A 12 -6.645 14.785 -7.242 1.00 0.00 C ATOM 163 O ALA A 12 -6.361 15.919 -6.838 1.00 0.00 O ATOM 164 CB ALA A 12 -9.064 14.540 -8.056 1.00 0.00 C ATOM 0 H ALA A 12 -7.904 12.583 -9.051 1.00 0.00 H new ATOM 0 HA ALA A 12 -7.438 15.448 -9.125 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -9.328 15.459 -7.533 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -9.685 14.438 -8.946 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -9.231 13.687 -7.398 1.00 0.00 H new ATOM 170 N PHE A 13 -6.199 13.663 -6.645 1.00 0.00 N ATOM 171 CA PHE A 13 -5.322 13.677 -5.444 1.00 0.00 C ATOM 172 C PHE A 13 -3.875 14.059 -5.862 1.00 0.00 C ATOM 173 O PHE A 13 -3.212 14.855 -5.189 1.00 0.00 O ATOM 174 CB PHE A 13 -5.411 12.294 -4.736 1.00 0.00 C ATOM 175 CG PHE A 13 -4.880 12.263 -3.289 1.00 0.00 C ATOM 176 CD1 PHE A 13 -4.956 13.407 -2.484 1.00 0.00 C ATOM 177 CD2 PHE A 13 -4.332 11.089 -2.760 1.00 0.00 C ATOM 178 CE1 PHE A 13 -4.493 13.375 -1.172 1.00 0.00 C ATOM 179 CE2 PHE A 13 -3.871 11.059 -1.445 1.00 0.00 C ATOM 180 CZ PHE A 13 -3.951 12.202 -0.653 1.00 0.00 C ATOM 0 H PHE A 13 -6.430 12.725 -6.973 1.00 0.00 H new ATOM 0 HA PHE A 13 -5.650 14.429 -4.727 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -6.452 11.972 -4.731 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -4.855 11.565 -5.326 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -5.376 14.318 -2.884 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -4.266 10.202 -3.373 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -4.554 14.260 -0.556 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -3.452 10.150 -1.040 1.00 0.00 H new ATOM 0 HZ PHE A 13 -3.592 12.178 0.365 1.00 0.00 H new ATOM 190 N LEU A 14 -3.408 13.474 -6.981 1.00 0.00 N ATOM 191 CA LEU A 14 -2.022 13.665 -7.485 1.00 0.00 C ATOM 192 C LEU A 14 -2.056 14.773 -8.573 1.00 0.00 C ATOM 193 O LEU A 14 -2.641 14.586 -9.646 1.00 0.00 O ATOM 194 CB LEU A 14 -1.440 12.329 -8.037 1.00 0.00 C ATOM 195 CG LEU A 14 -1.711 11.035 -7.216 1.00 0.00 C ATOM 196 CD1 LEU A 14 -1.731 9.768 -8.097 1.00 0.00 C ATOM 197 CD2 LEU A 14 -0.680 10.867 -6.081 1.00 0.00 C ATOM 0 H LEU A 14 -3.973 12.857 -7.564 1.00 0.00 H new ATOM 0 HA LEU A 14 -1.364 13.974 -6.673 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -1.835 12.179 -9.042 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -0.361 12.446 -8.134 1.00 0.00 H new ATOM 0 HG LEU A 14 -2.704 11.153 -6.782 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -1.924 8.895 -7.474 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -2.516 9.859 -8.847 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -0.767 9.654 -8.593 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -0.896 9.954 -5.526 1.00 0.00 H new ATOM 0 HD22 LEU A 14 0.322 10.805 -6.506 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -0.737 11.723 -5.408 1.00 0.00 H new ATOM 209 N SER A 15 -1.396 15.910 -8.286 1.00 0.00 N ATOM 210 CA SER A 15 -1.307 17.059 -9.226 1.00 0.00 C ATOM 211 C SER A 15 -0.481 16.651 -10.477 1.00 0.00 C ATOM 212 O SER A 15 -0.011 15.512 -10.580 1.00 0.00 O ATOM 213 CB SER A 15 -0.703 18.278 -8.493 1.00 0.00 C ATOM 214 OG SER A 15 -1.113 18.322 -7.131 1.00 0.00 O ATOM 0 H SER A 15 -0.910 16.065 -7.403 1.00 0.00 H new ATOM 0 HA SER A 15 -2.301 17.343 -9.573 1.00 0.00 H new ATOM 0 HB2 SER A 15 0.385 18.233 -8.546 1.00 0.00 H new ATOM 0 HB3 SER A 15 -1.009 19.195 -8.996 1.00 0.00 H new ATOM 0 HG SER A 15 -0.713 19.103 -6.694 1.00 0.00 H new ATOM 220 N GLU A 16 -0.343 17.590 -11.432 1.00 0.00 N ATOM 221 CA GLU A 16 0.388 17.353 -12.706 1.00 0.00 C ATOM 222 C GLU A 16 1.903 17.214 -12.394 1.00 0.00 C ATOM 223 O GLU A 16 2.605 16.420 -13.032 1.00 0.00 O ATOM 224 CB GLU A 16 0.064 18.480 -13.729 1.00 0.00 C ATOM 225 CG GLU A 16 0.455 18.209 -15.201 1.00 0.00 C ATOM 226 CD GLU A 16 1.773 18.861 -15.631 1.00 0.00 C ATOM 227 OE1 GLU A 16 2.718 18.911 -14.812 1.00 0.00 O ATOM 228 OE2 GLU A 16 1.869 19.326 -16.788 1.00 0.00 O ATOM 0 H GLU A 16 -0.730 18.530 -11.350 1.00 0.00 H new ATOM 0 HA GLU A 16 0.065 16.423 -13.174 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -1.007 18.677 -13.691 1.00 0.00 H new ATOM 0 HB3 GLU A 16 0.567 19.391 -13.404 1.00 0.00 H new ATOM 0 HG2 GLU A 16 0.529 17.132 -15.353 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -0.344 18.569 -15.850 1.00 0.00 H new ATOM 235 N GLU A 17 2.382 17.998 -11.406 1.00 0.00 N ATOM 236 CA GLU A 17 3.829 18.062 -11.060 1.00 0.00 C ATOM 237 C GLU A 17 4.198 16.771 -10.279 1.00 0.00 C ATOM 238 O GLU A 17 5.290 16.217 -10.455 1.00 0.00 O ATOM 239 CB GLU A 17 4.164 19.372 -10.287 1.00 0.00 C ATOM 240 CG GLU A 17 5.460 20.108 -10.701 1.00 0.00 C ATOM 241 CD GLU A 17 5.305 21.004 -11.934 1.00 0.00 C ATOM 242 OE1 GLU A 17 4.186 21.503 -12.183 1.00 0.00 O ATOM 243 OE2 GLU A 17 6.304 21.216 -12.657 1.00 0.00 O ATOM 0 H GLU A 17 1.792 18.598 -10.830 1.00 0.00 H new ATOM 0 HA GLU A 17 4.440 18.101 -11.962 1.00 0.00 H new ATOM 0 HB2 GLU A 17 3.328 20.061 -10.406 1.00 0.00 H new ATOM 0 HB3 GLU A 17 4.232 19.133 -9.226 1.00 0.00 H new ATOM 0 HG2 GLU A 17 5.802 20.716 -9.864 1.00 0.00 H new ATOM 0 HG3 GLU A 17 6.237 19.370 -10.897 1.00 0.00 H new ATOM 250 N MET A 18 3.261 16.291 -9.441 1.00 0.00 N ATOM 251 CA MET A 18 3.468 15.088 -8.590 1.00 0.00 C ATOM 252 C MET A 18 3.607 13.853 -9.521 1.00 0.00 C ATOM 253 O MET A 18 4.329 12.901 -9.198 1.00 0.00 O ATOM 254 CB MET A 18 2.318 14.920 -7.557 1.00 0.00 C ATOM 255 CG MET A 18 2.657 15.308 -6.105 1.00 0.00 C ATOM 256 SD MET A 18 3.423 16.943 -6.063 1.00 0.00 S ATOM 257 CE MET A 18 2.302 17.886 -7.117 1.00 0.00 C ATOM 0 H MET A 18 2.341 16.718 -9.329 1.00 0.00 H new ATOM 0 HA MET A 18 4.380 15.198 -8.004 1.00 0.00 H new ATOM 0 HB2 MET A 18 1.470 15.521 -7.885 1.00 0.00 H new ATOM 0 HB3 MET A 18 1.994 13.879 -7.569 1.00 0.00 H new ATOM 0 HG2 MET A 18 1.751 15.306 -5.499 1.00 0.00 H new ATOM 0 HG3 MET A 18 3.332 14.570 -5.671 1.00 0.00 H new ATOM 0 HE1 MET A 18 2.804 18.134 -8.052 1.00 0.00 H new ATOM 0 HE2 MET A 18 1.414 17.290 -7.329 1.00 0.00 H new ATOM 0 HE3 MET A 18 2.010 18.804 -6.608 1.00 0.00 H new ATOM 267 N ILE A 19 2.884 13.869 -10.657 1.00 0.00 N ATOM 268 CA ILE A 19 2.820 12.721 -11.602 1.00 0.00 C ATOM 269 C ILE A 19 4.267 12.499 -12.119 1.00 0.00 C ATOM 270 O ILE A 19 4.691 11.356 -12.335 1.00 0.00 O ATOM 271 CB ILE A 19 1.741 12.945 -12.728 1.00 0.00 C ATOM 272 CG1 ILE A 19 0.324 12.431 -12.317 1.00 0.00 C ATOM 273 CG2 ILE A 19 2.159 12.320 -14.087 1.00 0.00 C ATOM 274 CD1 ILE A 19 -0.042 12.591 -10.832 1.00 0.00 C ATOM 0 H ILE A 19 2.327 14.671 -10.951 1.00 0.00 H new ATOM 0 HA ILE A 19 2.477 11.809 -11.114 1.00 0.00 H new ATOM 0 HB ILE A 19 1.683 14.026 -12.855 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -0.420 12.958 -12.914 1.00 0.00 H new ATOM 0 HG13 ILE A 19 0.252 11.375 -12.578 1.00 0.00 H new ATOM 0 HG21 ILE A 19 1.380 12.504 -14.827 1.00 0.00 H new ATOM 0 HG22 ILE A 19 3.092 12.771 -14.423 1.00 0.00 H new ATOM 0 HG23 ILE A 19 2.298 11.246 -13.966 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -1.046 12.202 -10.661 1.00 0.00 H new ATOM 0 HD12 ILE A 19 0.671 12.039 -10.220 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -0.011 13.646 -10.561 1.00 0.00 H new ATOM 286 N ALA A 20 5.004 13.603 -12.344 1.00 0.00 N ATOM 287 CA ALA A 20 6.366 13.563 -12.943 1.00 0.00 C ATOM 288 C ALA A 20 7.277 12.593 -12.143 1.00 0.00 C ATOM 289 O ALA A 20 8.228 12.023 -12.694 1.00 0.00 O ATOM 290 CB ALA A 20 6.940 14.993 -12.979 1.00 0.00 C ATOM 0 H ALA A 20 4.682 14.545 -12.120 1.00 0.00 H new ATOM 0 HA ALA A 20 6.316 13.186 -13.965 1.00 0.00 H new ATOM 0 HB1 ALA A 20 7.938 14.973 -13.416 1.00 0.00 H new ATOM 0 HB2 ALA A 20 6.292 15.630 -13.581 1.00 0.00 H new ATOM 0 HB3 ALA A 20 6.996 15.388 -11.965 1.00 0.00 H new ATOM 296 N GLU A 21 6.980 12.428 -10.841 1.00 0.00 N ATOM 297 CA GLU A 21 7.747 11.525 -9.942 1.00 0.00 C ATOM 298 C GLU A 21 7.638 10.077 -10.493 1.00 0.00 C ATOM 299 O GLU A 21 8.645 9.372 -10.635 1.00 0.00 O ATOM 300 CB GLU A 21 7.248 11.673 -8.475 1.00 0.00 C ATOM 301 CG GLU A 21 7.690 12.950 -7.722 1.00 0.00 C ATOM 302 CD GLU A 21 9.080 12.854 -7.085 1.00 0.00 C ATOM 303 OE1 GLU A 21 9.570 11.724 -6.866 1.00 0.00 O ATOM 304 OE2 GLU A 21 9.687 13.910 -6.797 1.00 0.00 O ATOM 0 H GLU A 21 6.209 12.910 -10.378 1.00 0.00 H new ATOM 0 HA GLU A 21 8.803 11.793 -9.922 1.00 0.00 H new ATOM 0 HB2 GLU A 21 6.159 11.640 -8.480 1.00 0.00 H new ATOM 0 HB3 GLU A 21 7.591 10.807 -7.909 1.00 0.00 H new ATOM 0 HG2 GLU A 21 7.678 13.790 -8.416 1.00 0.00 H new ATOM 0 HG3 GLU A 21 6.960 13.170 -6.943 1.00 0.00 H new ATOM 311 N PHE A 22 6.394 9.638 -10.773 1.00 0.00 N ATOM 312 CA PHE A 22 6.117 8.277 -11.303 1.00 0.00 C ATOM 313 C PHE A 22 6.037 8.330 -12.854 1.00 0.00 C ATOM 314 O PHE A 22 5.376 7.479 -13.468 1.00 0.00 O ATOM 315 CB PHE A 22 4.807 7.707 -10.675 1.00 0.00 C ATOM 316 CG PHE A 22 4.711 7.783 -9.138 1.00 0.00 C ATOM 317 CD1 PHE A 22 5.237 6.759 -8.342 1.00 0.00 C ATOM 318 CD2 PHE A 22 4.070 8.865 -8.523 1.00 0.00 C ATOM 319 CE1 PHE A 22 5.074 6.790 -6.959 1.00 0.00 C ATOM 320 CE2 PHE A 22 3.908 8.894 -7.140 1.00 0.00 C ATOM 321 CZ PHE A 22 4.386 7.843 -6.362 1.00 0.00 C ATOM 0 H PHE A 22 5.557 10.206 -10.642 1.00 0.00 H new ATOM 0 HA PHE A 22 6.929 7.604 -11.027 1.00 0.00 H new ATOM 0 HB2 PHE A 22 3.959 8.244 -11.100 1.00 0.00 H new ATOM 0 HB3 PHE A 22 4.707 6.664 -10.975 1.00 0.00 H new ATOM 0 HD1 PHE A 22 5.772 5.941 -8.802 1.00 0.00 H new ATOM 0 HD2 PHE A 22 3.699 9.682 -9.124 1.00 0.00 H new ATOM 0 HE1 PHE A 22 5.481 5.997 -6.350 1.00 0.00 H new ATOM 0 HE2 PHE A 22 3.412 9.731 -6.671 1.00 0.00 H new ATOM 0 HZ PHE A 22 4.223 7.845 -5.294 1.00 0.00 H new ATOM 331 N LYS A 23 6.681 9.336 -13.474 1.00 0.00 N ATOM 332 CA LYS A 23 6.757 9.474 -14.953 1.00 0.00 C ATOM 333 C LYS A 23 7.999 8.682 -15.446 1.00 0.00 C ATOM 334 O LYS A 23 7.912 7.898 -16.399 1.00 0.00 O ATOM 335 CB LYS A 23 6.841 10.967 -15.386 1.00 0.00 C ATOM 336 CG LYS A 23 6.054 11.374 -16.656 1.00 0.00 C ATOM 337 CD LYS A 23 4.575 11.742 -16.414 1.00 0.00 C ATOM 338 CE LYS A 23 4.376 13.241 -16.125 1.00 0.00 C ATOM 339 NZ LYS A 23 5.248 14.074 -16.971 1.00 0.00 N ATOM 0 H LYS A 23 7.165 10.079 -12.970 1.00 0.00 H new ATOM 0 HA LYS A 23 5.850 9.071 -15.404 1.00 0.00 H new ATOM 0 HB2 LYS A 23 6.488 11.581 -14.557 1.00 0.00 H new ATOM 0 HB3 LYS A 23 7.890 11.216 -15.543 1.00 0.00 H new ATOM 0 HG2 LYS A 23 6.554 12.225 -17.118 1.00 0.00 H new ATOM 0 HG3 LYS A 23 6.097 10.552 -17.371 1.00 0.00 H new ATOM 0 HD2 LYS A 23 3.988 11.464 -17.289 1.00 0.00 H new ATOM 0 HD3 LYS A 23 4.193 11.160 -15.575 1.00 0.00 H new ATOM 0 HE2 LYS A 23 3.334 13.511 -16.298 1.00 0.00 H new ATOM 0 HE3 LYS A 23 4.587 13.441 -15.075 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 4.890 15.050 -16.983 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 6.215 14.064 -16.588 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 5.255 13.696 -17.940 1.00 0.00 H new ATOM 353 N ALA A 24 9.155 8.924 -14.801 1.00 0.00 N ATOM 354 CA ALA A 24 10.448 8.302 -15.192 1.00 0.00 C ATOM 355 C ALA A 24 10.406 6.775 -14.912 1.00 0.00 C ATOM 356 O ALA A 24 10.590 5.955 -15.820 1.00 0.00 O ATOM 357 CB ALA A 24 11.594 8.995 -14.428 1.00 0.00 C ATOM 0 H ALA A 24 9.227 9.550 -13.999 1.00 0.00 H new ATOM 0 HA ALA A 24 10.622 8.433 -16.260 1.00 0.00 H new ATOM 0 HB1 ALA A 24 12.545 8.543 -14.710 1.00 0.00 H new ATOM 0 HB2 ALA A 24 11.608 10.056 -14.677 1.00 0.00 H new ATOM 0 HB3 ALA A 24 11.440 8.876 -13.355 1.00 0.00 H new ATOM 363 N ALA A 25 10.154 6.411 -13.641 1.00 0.00 N ATOM 364 CA ALA A 25 10.178 4.996 -13.181 1.00 0.00 C ATOM 365 C ALA A 25 9.151 4.154 -13.987 1.00 0.00 C ATOM 366 O ALA A 25 9.334 2.944 -14.164 1.00 0.00 O ATOM 367 CB ALA A 25 9.894 4.956 -11.667 1.00 0.00 C ATOM 0 H ALA A 25 9.929 7.078 -12.903 1.00 0.00 H new ATOM 0 HA ALA A 25 11.161 4.559 -13.357 1.00 0.00 H new ATOM 0 HB1 ALA A 25 9.910 3.922 -11.321 1.00 0.00 H new ATOM 0 HB2 ALA A 25 10.657 5.527 -11.138 1.00 0.00 H new ATOM 0 HB3 ALA A 25 8.914 5.390 -11.469 1.00 0.00 H new ATOM 373 N PHE A 26 8.061 4.811 -14.438 1.00 0.00 N ATOM 374 CA PHE A 26 6.984 4.141 -15.216 1.00 0.00 C ATOM 375 C PHE A 26 7.650 3.308 -16.347 1.00 0.00 C ATOM 376 O PHE A 26 7.445 2.093 -16.441 1.00 0.00 O ATOM 377 CB PHE A 26 5.957 5.169 -15.781 1.00 0.00 C ATOM 378 CG PHE A 26 4.840 4.554 -16.656 1.00 0.00 C ATOM 379 CD1 PHE A 26 5.051 4.334 -18.022 1.00 0.00 C ATOM 380 CD2 PHE A 26 3.612 4.197 -16.086 1.00 0.00 C ATOM 381 CE1 PHE A 26 4.039 3.792 -18.810 1.00 0.00 C ATOM 382 CE2 PHE A 26 2.601 3.658 -16.877 1.00 0.00 C ATOM 383 CZ PHE A 26 2.815 3.455 -18.238 1.00 0.00 C ATOM 0 H PHE A 26 7.899 5.805 -14.279 1.00 0.00 H new ATOM 0 HA PHE A 26 6.415 3.480 -14.562 1.00 0.00 H new ATOM 0 HB2 PHE A 26 5.496 5.697 -14.946 1.00 0.00 H new ATOM 0 HB3 PHE A 26 6.494 5.912 -16.371 1.00 0.00 H new ATOM 0 HD1 PHE A 26 6.003 4.586 -18.467 1.00 0.00 H new ATOM 0 HD2 PHE A 26 3.448 4.340 -15.028 1.00 0.00 H new ATOM 0 HE1 PHE A 26 4.204 3.633 -19.865 1.00 0.00 H new ATOM 0 HE2 PHE A 26 1.651 3.397 -16.435 1.00 0.00 H new ATOM 0 HZ PHE A 26 2.031 3.036 -18.851 1.00 0.00 H new ATOM 393 N ASP A 27 8.421 3.990 -17.215 1.00 0.00 N ATOM 394 CA ASP A 27 9.039 3.366 -18.415 1.00 0.00 C ATOM 395 C ASP A 27 9.989 2.227 -17.952 1.00 0.00 C ATOM 396 O ASP A 27 10.087 1.184 -18.610 1.00 0.00 O ATOM 397 CB ASP A 27 9.757 4.420 -19.306 1.00 0.00 C ATOM 398 CG ASP A 27 9.012 5.750 -19.514 1.00 0.00 C ATOM 399 OD1 ASP A 27 8.139 5.820 -20.408 1.00 0.00 O ATOM 400 OD2 ASP A 27 9.293 6.723 -18.780 1.00 0.00 O ATOM 0 H ASP A 27 8.636 4.982 -17.112 1.00 0.00 H new ATOM 0 HA ASP A 27 8.261 2.935 -19.045 1.00 0.00 H new ATOM 0 HB2 ASP A 27 10.730 4.637 -18.865 1.00 0.00 H new ATOM 0 HB3 ASP A 27 9.943 3.974 -20.283 1.00 0.00 H new ATOM 405 N MET A 28 10.678 2.447 -16.814 1.00 0.00 N ATOM 406 CA MET A 28 11.689 1.490 -16.286 1.00 0.00 C ATOM 407 C MET A 28 10.982 0.123 -16.076 1.00 0.00 C ATOM 408 O MET A 28 11.581 -0.938 -16.292 1.00 0.00 O ATOM 409 CB MET A 28 12.360 2.009 -14.982 1.00 0.00 C ATOM 410 CG MET A 28 13.737 1.405 -14.648 1.00 0.00 C ATOM 411 SD MET A 28 14.303 2.003 -13.040 1.00 0.00 S ATOM 412 CE MET A 28 12.906 1.559 -11.987 1.00 0.00 C ATOM 0 H MET A 28 10.557 3.279 -16.237 1.00 0.00 H new ATOM 0 HA MET A 28 12.503 1.378 -17.002 1.00 0.00 H new ATOM 0 HB2 MET A 28 12.468 3.091 -15.058 1.00 0.00 H new ATOM 0 HB3 MET A 28 11.687 1.814 -14.147 1.00 0.00 H new ATOM 0 HG2 MET A 28 13.673 0.317 -14.638 1.00 0.00 H new ATOM 0 HG3 MET A 28 14.458 1.675 -15.420 1.00 0.00 H new ATOM 0 HE1 MET A 28 13.257 1.391 -10.969 1.00 0.00 H new ATOM 0 HE2 MET A 28 12.176 2.368 -11.991 1.00 0.00 H new ATOM 0 HE3 MET A 28 12.440 0.649 -12.365 1.00 0.00 H new ATOM 422 N PHE A 29 9.714 0.167 -15.624 1.00 0.00 N ATOM 423 CA PHE A 29 8.937 -1.050 -15.270 1.00 0.00 C ATOM 424 C PHE A 29 8.559 -1.791 -16.581 1.00 0.00 C ATOM 425 O PHE A 29 8.610 -3.025 -16.646 1.00 0.00 O ATOM 426 CB PHE A 29 7.682 -0.679 -14.425 1.00 0.00 C ATOM 427 CG PHE A 29 6.950 -1.868 -13.772 1.00 0.00 C ATOM 428 CD1 PHE A 29 7.666 -2.836 -13.057 1.00 0.00 C ATOM 429 CD2 PHE A 29 5.558 -1.984 -13.876 1.00 0.00 C ATOM 430 CE1 PHE A 29 6.997 -3.891 -12.440 1.00 0.00 C ATOM 431 CE2 PHE A 29 4.893 -3.040 -13.258 1.00 0.00 C ATOM 432 CZ PHE A 29 5.612 -3.990 -12.537 1.00 0.00 C ATOM 0 H PHE A 29 9.197 1.037 -15.493 1.00 0.00 H new ATOM 0 HA PHE A 29 9.540 -1.714 -14.651 1.00 0.00 H new ATOM 0 HB2 PHE A 29 7.985 0.014 -13.641 1.00 0.00 H new ATOM 0 HB3 PHE A 29 6.978 -0.148 -15.065 1.00 0.00 H new ATOM 0 HD1 PHE A 29 8.741 -2.765 -12.984 1.00 0.00 H new ATOM 0 HD2 PHE A 29 4.998 -1.251 -14.438 1.00 0.00 H new ATOM 0 HE1 PHE A 29 7.553 -4.633 -11.886 1.00 0.00 H new ATOM 0 HE2 PHE A 29 3.819 -3.122 -13.338 1.00 0.00 H new ATOM 0 HZ PHE A 29 5.094 -4.805 -12.052 1.00 0.00 H new ATOM 442 N ASP A 30 8.210 -1.017 -17.625 1.00 0.00 N ATOM 443 CA ASP A 30 7.865 -1.564 -18.964 1.00 0.00 C ATOM 444 C ASP A 30 9.162 -2.097 -19.632 1.00 0.00 C ATOM 445 O ASP A 30 10.265 -1.618 -19.342 1.00 0.00 O ATOM 446 CB ASP A 30 7.127 -0.512 -19.842 1.00 0.00 C ATOM 447 CG ASP A 30 6.183 -1.074 -20.919 1.00 0.00 C ATOM 448 OD1 ASP A 30 5.837 -2.274 -20.856 1.00 0.00 O ATOM 449 OD2 ASP A 30 5.781 -0.312 -21.827 1.00 0.00 O ATOM 0 H ASP A 30 8.157 0.000 -17.572 1.00 0.00 H new ATOM 0 HA ASP A 30 7.165 -2.392 -18.853 1.00 0.00 H new ATOM 0 HB2 ASP A 30 6.550 0.139 -19.185 1.00 0.00 H new ATOM 0 HB3 ASP A 30 7.875 0.111 -20.332 1.00 0.00 H new ATOM 454 N ALA A 31 9.012 -3.106 -20.510 1.00 0.00 N ATOM 455 CA ALA A 31 10.151 -3.729 -21.235 1.00 0.00 C ATOM 456 C ALA A 31 10.176 -3.235 -22.708 1.00 0.00 C ATOM 457 O ALA A 31 11.248 -2.990 -23.274 1.00 0.00 O ATOM 458 CB ALA A 31 10.029 -5.263 -21.145 1.00 0.00 C ATOM 0 H ALA A 31 8.107 -3.515 -20.741 1.00 0.00 H new ATOM 0 HA ALA A 31 11.095 -3.435 -20.777 1.00 0.00 H new ATOM 0 HB1 ALA A 31 10.861 -5.726 -21.675 1.00 0.00 H new ATOM 0 HB2 ALA A 31 10.050 -5.569 -20.099 1.00 0.00 H new ATOM 0 HB3 ALA A 31 9.090 -5.580 -21.597 1.00 0.00 H new ATOM 464 N ASP A 32 8.978 -3.093 -23.307 1.00 0.00 N ATOM 465 CA ASP A 32 8.817 -2.662 -24.721 1.00 0.00 C ATOM 466 C ASP A 32 8.822 -1.111 -24.772 1.00 0.00 C ATOM 467 O ASP A 32 9.563 -0.504 -25.555 1.00 0.00 O ATOM 468 CB ASP A 32 7.544 -3.280 -25.369 1.00 0.00 C ATOM 469 CG ASP A 32 6.265 -2.428 -25.292 1.00 0.00 C ATOM 470 OD1 ASP A 32 5.578 -2.460 -24.247 1.00 0.00 O ATOM 471 OD2 ASP A 32 5.947 -1.725 -26.276 1.00 0.00 O ATOM 0 H ASP A 32 8.093 -3.272 -22.831 1.00 0.00 H new ATOM 0 HA ASP A 32 9.653 -3.032 -25.315 1.00 0.00 H new ATOM 0 HB2 ASP A 32 7.758 -3.485 -26.418 1.00 0.00 H new ATOM 0 HB3 ASP A 32 7.347 -4.239 -24.891 1.00 0.00 H new ATOM 476 N GLY A 33 8.006 -0.480 -23.906 1.00 0.00 N ATOM 477 CA GLY A 33 7.909 1.002 -23.821 1.00 0.00 C ATOM 478 C GLY A 33 6.941 1.576 -24.889 1.00 0.00 C ATOM 479 O GLY A 33 7.184 1.460 -26.096 1.00 0.00 O ATOM 0 H GLY A 33 7.399 -0.971 -23.249 1.00 0.00 H new ATOM 0 HA2 GLY A 33 7.565 1.288 -22.827 1.00 0.00 H new ATOM 0 HA3 GLY A 33 8.898 1.440 -23.954 1.00 0.00 H new ATOM 483 N GLY A 34 5.855 2.225 -24.424 1.00 0.00 N ATOM 484 CA GLY A 34 4.861 2.871 -25.319 1.00 0.00 C ATOM 485 C GLY A 34 3.910 3.779 -24.500 1.00 0.00 C ATOM 486 O GLY A 34 3.981 5.011 -24.574 1.00 0.00 O ATOM 0 H GLY A 34 5.639 2.318 -23.431 1.00 0.00 H new ATOM 0 HA2 GLY A 34 5.374 3.461 -26.078 1.00 0.00 H new ATOM 0 HA3 GLY A 34 4.285 2.109 -25.844 1.00 0.00 H new ATOM 490 N GLY A 35 3.017 3.147 -23.712 1.00 0.00 N ATOM 491 CA GLY A 35 2.076 3.871 -22.821 1.00 0.00 C ATOM 492 C GLY A 35 1.134 2.866 -22.109 1.00 0.00 C ATOM 493 O GLY A 35 -0.064 3.131 -21.944 1.00 0.00 O ATOM 0 H GLY A 35 2.925 2.132 -23.672 1.00 0.00 H new ATOM 0 HA2 GLY A 35 2.633 4.446 -22.081 1.00 0.00 H new ATOM 0 HA3 GLY A 35 1.489 4.583 -23.401 1.00 0.00 H new ATOM 497 N ASP A 36 1.702 1.728 -21.667 1.00 0.00 N ATOM 498 CA ASP A 36 0.938 0.628 -21.023 1.00 0.00 C ATOM 499 C ASP A 36 1.887 -0.585 -20.819 1.00 0.00 C ATOM 500 O ASP A 36 2.672 -0.926 -21.712 1.00 0.00 O ATOM 501 CB ASP A 36 -0.338 0.261 -21.835 1.00 0.00 C ATOM 502 CG ASP A 36 -0.267 0.505 -23.352 1.00 0.00 C ATOM 503 OD1 ASP A 36 0.569 -0.131 -24.031 1.00 0.00 O ATOM 504 OD2 ASP A 36 -1.054 1.329 -23.869 1.00 0.00 O ATOM 0 H ASP A 36 2.702 1.540 -21.743 1.00 0.00 H new ATOM 0 HA ASP A 36 0.577 0.955 -20.048 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -0.561 -0.793 -21.667 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -1.176 0.832 -21.434 1.00 0.00 H new ATOM 509 N ILE A 37 1.819 -1.205 -19.625 1.00 0.00 N ATOM 510 CA ILE A 37 2.612 -2.416 -19.282 1.00 0.00 C ATOM 511 C ILE A 37 1.800 -3.683 -19.669 1.00 0.00 C ATOM 512 O ILE A 37 0.841 -3.603 -20.448 1.00 0.00 O ATOM 513 CB ILE A 37 3.115 -2.450 -17.790 1.00 0.00 C ATOM 514 CG1 ILE A 37 2.992 -1.102 -17.012 1.00 0.00 C ATOM 515 CG2 ILE A 37 4.547 -3.034 -17.698 1.00 0.00 C ATOM 516 CD1 ILE A 37 4.258 -0.635 -16.277 1.00 0.00 C ATOM 0 H ILE A 37 1.215 -0.886 -18.867 1.00 0.00 H new ATOM 0 HA ILE A 37 3.532 -2.387 -19.866 1.00 0.00 H new ATOM 0 HB ILE A 37 2.423 -3.118 -17.277 1.00 0.00 H new ATOM 0 HG12 ILE A 37 2.696 -0.324 -17.716 1.00 0.00 H new ATOM 0 HG13 ILE A 37 2.186 -1.197 -16.284 1.00 0.00 H new ATOM 0 HG21 ILE A 37 4.869 -3.046 -16.657 1.00 0.00 H new ATOM 0 HG22 ILE A 37 4.551 -4.051 -18.090 1.00 0.00 H new ATOM 0 HG23 ILE A 37 5.230 -2.417 -18.282 1.00 0.00 H new ATOM 0 HD11 ILE A 37 4.058 0.310 -15.772 1.00 0.00 H new ATOM 0 HD12 ILE A 37 4.549 -1.385 -15.541 1.00 0.00 H new ATOM 0 HD13 ILE A 37 5.066 -0.498 -16.995 1.00 0.00 H new ATOM 528 N SER A 38 2.174 -4.842 -19.095 1.00 0.00 N ATOM 529 CA SER A 38 1.431 -6.117 -19.288 1.00 0.00 C ATOM 530 C SER A 38 1.791 -7.113 -18.152 1.00 0.00 C ATOM 531 O SER A 38 2.360 -6.722 -17.126 1.00 0.00 O ATOM 532 CB SER A 38 1.741 -6.687 -20.691 1.00 0.00 C ATOM 533 OG SER A 38 2.815 -7.621 -20.647 1.00 0.00 O ATOM 0 H SER A 38 2.990 -4.929 -18.489 1.00 0.00 H new ATOM 0 HA SER A 38 0.357 -5.940 -19.234 1.00 0.00 H new ATOM 0 HB2 SER A 38 0.851 -7.172 -21.093 1.00 0.00 H new ATOM 0 HB3 SER A 38 1.993 -5.872 -21.369 1.00 0.00 H new ATOM 0 HG SER A 38 3.071 -7.868 -21.560 1.00 0.00 H new ATOM 539 N THR A 39 1.476 -8.403 -18.372 1.00 0.00 N ATOM 540 CA THR A 39 1.746 -9.492 -17.396 1.00 0.00 C ATOM 541 C THR A 39 3.252 -9.867 -17.469 1.00 0.00 C ATOM 542 O THR A 39 4.005 -9.637 -16.514 1.00 0.00 O ATOM 543 CB THR A 39 0.808 -10.722 -17.614 1.00 0.00 C ATOM 544 OG1 THR A 39 0.355 -10.776 -18.965 1.00 0.00 O ATOM 545 CG2 THR A 39 -0.427 -10.776 -16.696 1.00 0.00 C ATOM 0 H THR A 39 1.027 -8.727 -19.229 1.00 0.00 H new ATOM 0 HA THR A 39 1.522 -9.138 -16.390 1.00 0.00 H new ATOM 0 HB THR A 39 1.431 -11.579 -17.360 1.00 0.00 H new ATOM 0 HG1 THR A 39 -0.230 -11.554 -19.083 1.00 0.00 H new ATOM 0 HG21 THR A 39 -1.013 -11.666 -16.926 1.00 0.00 H new ATOM 0 HG22 THR A 39 -0.105 -10.812 -15.655 1.00 0.00 H new ATOM 0 HG23 THR A 39 -1.038 -9.888 -16.856 1.00 0.00 H new ATOM 553 N LYS A 40 3.676 -10.447 -18.608 1.00 0.00 N ATOM 554 CA LYS A 40 5.088 -10.863 -18.824 1.00 0.00 C ATOM 555 C LYS A 40 6.016 -9.674 -18.449 1.00 0.00 C ATOM 556 O LYS A 40 7.004 -9.848 -17.726 1.00 0.00 O ATOM 557 CB LYS A 40 5.273 -11.364 -20.286 1.00 0.00 C ATOM 558 CG LYS A 40 4.011 -11.580 -21.159 1.00 0.00 C ATOM 559 CD LYS A 40 3.018 -12.703 -20.773 1.00 0.00 C ATOM 560 CE LYS A 40 3.014 -13.964 -21.662 1.00 0.00 C ATOM 561 NZ LYS A 40 2.536 -13.722 -23.035 1.00 0.00 N ATOM 0 H LYS A 40 3.063 -10.642 -19.400 1.00 0.00 H new ATOM 0 HA LYS A 40 5.359 -11.702 -18.183 1.00 0.00 H new ATOM 0 HB2 LYS A 40 5.915 -10.650 -20.802 1.00 0.00 H new ATOM 0 HB3 LYS A 40 5.814 -12.309 -20.246 1.00 0.00 H new ATOM 0 HG2 LYS A 40 3.457 -10.641 -21.175 1.00 0.00 H new ATOM 0 HG3 LYS A 40 4.345 -11.771 -22.179 1.00 0.00 H new ATOM 0 HD2 LYS A 40 3.233 -13.010 -19.749 1.00 0.00 H new ATOM 0 HD3 LYS A 40 2.012 -12.283 -20.775 1.00 0.00 H new ATOM 0 HE2 LYS A 40 4.025 -14.370 -21.705 1.00 0.00 H new ATOM 0 HE3 LYS A 40 2.385 -14.723 -21.197 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 2.561 -14.612 -23.573 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 1.560 -13.363 -23.005 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 3.149 -13.021 -23.497 1.00 0.00 H new ATOM 575 N GLU A 41 5.695 -8.478 -18.976 1.00 0.00 N ATOM 576 CA GLU A 41 6.536 -7.263 -18.808 1.00 0.00 C ATOM 577 C GLU A 41 6.620 -6.908 -17.299 1.00 0.00 C ATOM 578 O GLU A 41 7.665 -6.459 -16.812 1.00 0.00 O ATOM 579 CB GLU A 41 6.002 -6.085 -19.673 1.00 0.00 C ATOM 580 CG GLU A 41 5.322 -6.431 -21.021 1.00 0.00 C ATOM 581 CD GLU A 41 5.120 -5.231 -21.951 1.00 0.00 C ATOM 582 OE1 GLU A 41 6.117 -4.554 -22.290 1.00 0.00 O ATOM 583 OE2 GLU A 41 3.966 -4.961 -22.349 1.00 0.00 O ATOM 0 H GLU A 41 4.852 -8.320 -19.528 1.00 0.00 H new ATOM 0 HA GLU A 41 7.546 -7.462 -19.166 1.00 0.00 H new ATOM 0 HB2 GLU A 41 5.287 -5.524 -19.071 1.00 0.00 H new ATOM 0 HB3 GLU A 41 6.837 -5.416 -19.881 1.00 0.00 H new ATOM 0 HG2 GLU A 41 5.924 -7.179 -21.537 1.00 0.00 H new ATOM 0 HG3 GLU A 41 4.353 -6.887 -20.819 1.00 0.00 H new ATOM 590 N LEU A 42 5.497 -7.090 -16.579 1.00 0.00 N ATOM 591 CA LEU A 42 5.392 -6.746 -15.136 1.00 0.00 C ATOM 592 C LEU A 42 6.413 -7.616 -14.356 1.00 0.00 C ATOM 593 O LEU A 42 6.986 -7.175 -13.352 1.00 0.00 O ATOM 594 CB LEU A 42 3.936 -6.958 -14.620 1.00 0.00 C ATOM 595 CG LEU A 42 3.035 -5.697 -14.474 1.00 0.00 C ATOM 596 CD1 LEU A 42 3.347 -4.622 -15.535 1.00 0.00 C ATOM 597 CD2 LEU A 42 1.540 -6.070 -14.530 1.00 0.00 C ATOM 0 H LEU A 42 4.639 -7.477 -16.972 1.00 0.00 H new ATOM 0 HA LEU A 42 5.625 -5.693 -14.981 1.00 0.00 H new ATOM 0 HB2 LEU A 42 3.437 -7.652 -15.297 1.00 0.00 H new ATOM 0 HB3 LEU A 42 3.992 -7.446 -13.647 1.00 0.00 H new ATOM 0 HG LEU A 42 3.260 -5.272 -13.496 1.00 0.00 H new ATOM 0 HD11 LEU A 42 2.691 -3.764 -15.388 1.00 0.00 H new ATOM 0 HD12 LEU A 42 4.385 -4.305 -15.438 1.00 0.00 H new ATOM 0 HD13 LEU A 42 3.186 -5.036 -16.530 1.00 0.00 H new ATOM 0 HD21 LEU A 42 0.936 -5.169 -14.425 1.00 0.00 H new ATOM 0 HD22 LEU A 42 1.319 -6.546 -15.485 1.00 0.00 H new ATOM 0 HD23 LEU A 42 1.306 -6.760 -13.719 1.00 0.00 H new ATOM 609 N GLY A 43 6.608 -8.868 -14.814 1.00 0.00 N ATOM 610 CA GLY A 43 7.463 -9.862 -14.119 1.00 0.00 C ATOM 611 C GLY A 43 8.966 -9.523 -14.293 1.00 0.00 C ATOM 612 O GLY A 43 9.791 -9.886 -13.442 1.00 0.00 O ATOM 0 H GLY A 43 6.182 -9.222 -15.671 1.00 0.00 H new ATOM 0 HA2 GLY A 43 7.212 -9.884 -13.058 1.00 0.00 H new ATOM 0 HA3 GLY A 43 7.263 -10.858 -14.514 1.00 0.00 H new ATOM 616 N THR A 44 9.309 -8.856 -15.410 1.00 0.00 N ATOM 617 CA THR A 44 10.719 -8.556 -15.778 1.00 0.00 C ATOM 618 C THR A 44 11.396 -7.788 -14.610 1.00 0.00 C ATOM 619 O THR A 44 12.373 -8.266 -14.019 1.00 0.00 O ATOM 620 CB THR A 44 10.821 -7.793 -17.136 1.00 0.00 C ATOM 621 OG1 THR A 44 10.268 -8.571 -18.195 1.00 0.00 O ATOM 622 CG2 THR A 44 12.245 -7.374 -17.548 1.00 0.00 C ATOM 0 H THR A 44 8.627 -8.509 -16.084 1.00 0.00 H new ATOM 0 HA THR A 44 11.254 -9.493 -15.933 1.00 0.00 H new ATOM 0 HB THR A 44 10.255 -6.877 -16.967 1.00 0.00 H new ATOM 0 HG1 THR A 44 10.340 -8.075 -19.037 1.00 0.00 H new ATOM 0 HG21 THR A 44 12.208 -6.852 -18.504 1.00 0.00 H new ATOM 0 HG22 THR A 44 12.664 -6.713 -16.789 1.00 0.00 H new ATOM 0 HG23 THR A 44 12.872 -8.261 -17.643 1.00 0.00 H new ATOM 630 N VAL A 45 10.880 -6.581 -14.312 1.00 0.00 N ATOM 631 CA VAL A 45 11.469 -5.658 -13.305 1.00 0.00 C ATOM 632 C VAL A 45 11.375 -6.356 -11.920 1.00 0.00 C ATOM 633 O VAL A 45 12.285 -6.232 -11.090 1.00 0.00 O ATOM 634 CB VAL A 45 10.800 -4.238 -13.345 1.00 0.00 C ATOM 635 CG1 VAL A 45 10.513 -3.671 -11.934 1.00 0.00 C ATOM 636 CG2 VAL A 45 11.606 -3.178 -14.135 1.00 0.00 C ATOM 0 H VAL A 45 10.041 -6.211 -14.760 1.00 0.00 H new ATOM 0 HA VAL A 45 12.517 -5.462 -13.529 1.00 0.00 H new ATOM 0 HB VAL A 45 9.863 -4.419 -13.871 1.00 0.00 H new ATOM 0 HG11 VAL A 45 10.051 -2.688 -12.024 1.00 0.00 H new ATOM 0 HG12 VAL A 45 9.838 -4.342 -11.403 1.00 0.00 H new ATOM 0 HG13 VAL A 45 11.448 -3.583 -11.380 1.00 0.00 H new ATOM 0 HG21 VAL A 45 11.075 -2.227 -14.113 1.00 0.00 H new ATOM 0 HG22 VAL A 45 12.589 -3.055 -13.680 1.00 0.00 H new ATOM 0 HG23 VAL A 45 11.723 -3.505 -15.168 1.00 0.00 H new ATOM 646 N MET A 46 10.254 -7.059 -11.674 1.00 0.00 N ATOM 647 CA MET A 46 9.993 -7.751 -10.383 1.00 0.00 C ATOM 648 C MET A 46 11.174 -8.719 -10.097 1.00 0.00 C ATOM 649 O MET A 46 11.510 -8.972 -8.932 1.00 0.00 O ATOM 650 CB MET A 46 8.623 -8.487 -10.402 1.00 0.00 C ATOM 651 CG MET A 46 7.395 -7.629 -10.044 1.00 0.00 C ATOM 652 SD MET A 46 6.361 -8.497 -8.844 1.00 0.00 S ATOM 653 CE MET A 46 5.980 -10.017 -9.741 1.00 0.00 C ATOM 0 H MET A 46 9.503 -7.167 -12.356 1.00 0.00 H new ATOM 0 HA MET A 46 9.930 -7.020 -9.577 1.00 0.00 H new ATOM 0 HB2 MET A 46 8.472 -8.907 -11.396 1.00 0.00 H new ATOM 0 HB3 MET A 46 8.672 -9.325 -9.706 1.00 0.00 H new ATOM 0 HG2 MET A 46 7.717 -6.672 -9.633 1.00 0.00 H new ATOM 0 HG3 MET A 46 6.818 -7.412 -10.943 1.00 0.00 H new ATOM 0 HE1 MET A 46 5.064 -10.454 -9.343 1.00 0.00 H new ATOM 0 HE2 MET A 46 5.845 -9.791 -10.799 1.00 0.00 H new ATOM 0 HE3 MET A 46 6.801 -10.724 -9.623 1.00 0.00 H new ATOM 663 N ARG A 47 11.772 -9.277 -11.166 1.00 0.00 N ATOM 664 CA ARG A 47 12.840 -10.308 -11.068 1.00 0.00 C ATOM 665 C ARG A 47 13.906 -9.847 -10.038 1.00 0.00 C ATOM 666 O ARG A 47 14.455 -10.665 -9.290 1.00 0.00 O ATOM 667 CB ARG A 47 13.478 -10.564 -12.463 1.00 0.00 C ATOM 668 CG ARG A 47 14.262 -11.891 -12.584 1.00 0.00 C ATOM 669 CD ARG A 47 15.683 -11.708 -13.152 1.00 0.00 C ATOM 670 NE ARG A 47 15.687 -10.906 -14.402 1.00 0.00 N ATOM 671 CZ ARG A 47 16.702 -10.117 -14.812 1.00 0.00 C ATOM 672 NH1 ARG A 47 17.845 -9.963 -14.143 1.00 0.00 N ATOM 673 NH2 ARG A 47 16.556 -9.456 -15.945 1.00 0.00 N ATOM 0 H ARG A 47 11.533 -9.030 -12.126 1.00 0.00 H new ATOM 0 HA ARG A 47 12.408 -11.249 -10.727 1.00 0.00 H new ATOM 0 HB2 ARG A 47 12.689 -10.555 -13.215 1.00 0.00 H new ATOM 0 HB3 ARG A 47 14.150 -9.738 -12.696 1.00 0.00 H new ATOM 0 HG2 ARG A 47 14.328 -12.357 -11.601 1.00 0.00 H new ATOM 0 HG3 ARG A 47 13.707 -12.576 -13.225 1.00 0.00 H new ATOM 0 HD2 ARG A 47 16.311 -11.219 -12.407 1.00 0.00 H new ATOM 0 HD3 ARG A 47 16.123 -12.686 -13.348 1.00 0.00 H new ATOM 0 HE ARG A 47 14.859 -10.955 -14.996 1.00 0.00 H new ATOM 0 HH11 ARG A 47 17.992 -10.459 -13.264 1.00 0.00 H new ATOM 0 HH12 ARG A 47 18.572 -9.350 -14.511 1.00 0.00 H new ATOM 0 HH21 ARG A 47 15.694 -9.550 -16.483 1.00 0.00 H new ATOM 0 HH22 ARG A 47 17.305 -8.851 -16.283 1.00 0.00 H new ATOM 687 N MET A 48 14.208 -8.536 -10.038 1.00 0.00 N ATOM 688 CA MET A 48 15.213 -7.924 -9.131 1.00 0.00 C ATOM 689 C MET A 48 14.937 -8.432 -7.690 1.00 0.00 C ATOM 690 O MET A 48 15.645 -9.312 -7.184 1.00 0.00 O ATOM 691 CB MET A 48 15.182 -6.371 -9.224 1.00 0.00 C ATOM 692 CG MET A 48 15.972 -5.756 -10.395 1.00 0.00 C ATOM 693 SD MET A 48 15.462 -6.430 -11.996 1.00 0.00 S ATOM 694 CE MET A 48 15.245 -4.921 -12.963 1.00 0.00 C ATOM 0 H MET A 48 13.765 -7.865 -10.665 1.00 0.00 H new ATOM 0 HA MET A 48 16.219 -8.222 -9.428 1.00 0.00 H new ATOM 0 HB2 MET A 48 14.143 -6.051 -9.303 1.00 0.00 H new ATOM 0 HB3 MET A 48 15.572 -5.962 -8.292 1.00 0.00 H new ATOM 0 HG2 MET A 48 15.832 -4.675 -10.397 1.00 0.00 H new ATOM 0 HG3 MET A 48 17.036 -5.939 -10.248 1.00 0.00 H new ATOM 0 HE1 MET A 48 14.931 -5.179 -13.974 1.00 0.00 H new ATOM 0 HE2 MET A 48 14.485 -4.295 -12.495 1.00 0.00 H new ATOM 0 HE3 MET A 48 16.188 -4.376 -13.004 1.00 0.00 H new ATOM 704 N LEU A 49 13.920 -7.846 -7.031 1.00 0.00 N ATOM 705 CA LEU A 49 13.473 -8.267 -5.676 1.00 0.00 C ATOM 706 C LEU A 49 12.547 -9.502 -5.840 1.00 0.00 C ATOM 707 O LEU A 49 11.318 -9.393 -5.766 1.00 0.00 O ATOM 708 CB LEU A 49 12.755 -7.096 -4.940 1.00 0.00 C ATOM 709 CG LEU A 49 11.804 -6.197 -5.783 1.00 0.00 C ATOM 710 CD1 LEU A 49 10.548 -5.766 -4.998 1.00 0.00 C ATOM 711 CD2 LEU A 49 12.540 -4.954 -6.320 1.00 0.00 C ATOM 0 H LEU A 49 13.382 -7.069 -7.415 1.00 0.00 H new ATOM 0 HA LEU A 49 14.330 -8.538 -5.060 1.00 0.00 H new ATOM 0 HB2 LEU A 49 12.178 -7.518 -4.117 1.00 0.00 H new ATOM 0 HB3 LEU A 49 13.519 -6.457 -4.498 1.00 0.00 H new ATOM 0 HG LEU A 49 11.475 -6.807 -6.625 1.00 0.00 H new ATOM 0 HD11 LEU A 49 9.919 -5.141 -5.632 1.00 0.00 H new ATOM 0 HD12 LEU A 49 9.989 -6.650 -4.692 1.00 0.00 H new ATOM 0 HD13 LEU A 49 10.847 -5.202 -4.115 1.00 0.00 H new ATOM 0 HD21 LEU A 49 11.849 -4.346 -6.905 1.00 0.00 H new ATOM 0 HD22 LEU A 49 12.921 -4.367 -5.484 1.00 0.00 H new ATOM 0 HD23 LEU A 49 13.371 -5.268 -6.952 1.00 0.00 H new ATOM 723 N GLY A 50 13.159 -10.682 -6.068 1.00 0.00 N ATOM 724 CA GLY A 50 12.410 -11.931 -6.361 1.00 0.00 C ATOM 725 C GLY A 50 12.941 -12.559 -7.676 1.00 0.00 C ATOM 726 O GLY A 50 12.342 -12.383 -8.743 1.00 0.00 O ATOM 0 H GLY A 50 14.172 -10.801 -6.056 1.00 0.00 H new ATOM 0 HA2 GLY A 50 12.523 -12.636 -5.538 1.00 0.00 H new ATOM 0 HA3 GLY A 50 11.345 -11.716 -6.453 1.00 0.00 H new ATOM 730 N GLN A 51 14.071 -13.284 -7.576 1.00 0.00 N ATOM 731 CA GLN A 51 14.784 -13.857 -8.749 1.00 0.00 C ATOM 732 C GLN A 51 14.282 -15.308 -8.985 1.00 0.00 C ATOM 733 O GLN A 51 15.084 -16.228 -9.189 1.00 0.00 O ATOM 734 CB GLN A 51 16.323 -13.792 -8.525 1.00 0.00 C ATOM 735 CG GLN A 51 16.910 -14.807 -7.513 1.00 0.00 C ATOM 736 CD GLN A 51 18.190 -15.514 -7.992 1.00 0.00 C ATOM 737 OE1 GLN A 51 19.090 -14.893 -8.558 1.00 0.00 O ATOM 738 NE2 GLN A 51 18.300 -16.818 -7.783 1.00 0.00 N ATOM 0 H GLN A 51 14.520 -13.493 -6.684 1.00 0.00 H new ATOM 0 HA GLN A 51 14.570 -13.275 -9.645 1.00 0.00 H new ATOM 0 HB2 GLN A 51 16.816 -13.942 -9.486 1.00 0.00 H new ATOM 0 HB3 GLN A 51 16.578 -12.787 -8.189 1.00 0.00 H new ATOM 0 HG2 GLN A 51 17.124 -14.288 -6.579 1.00 0.00 H new ATOM 0 HG3 GLN A 51 16.154 -15.561 -7.293 1.00 0.00 H new ATOM 0 HE21 GLN A 51 17.549 -17.324 -7.313 1.00 0.00 H new ATOM 0 HE22 GLN A 51 19.135 -17.315 -8.092 1.00 0.00 H new ATOM 747 N ASN A 52 12.949 -15.491 -8.985 1.00 0.00 N ATOM 748 CA ASN A 52 12.302 -16.787 -9.320 1.00 0.00 C ATOM 749 C ASN A 52 10.888 -16.534 -9.963 1.00 0.00 C ATOM 750 O ASN A 52 9.915 -16.427 -9.208 1.00 0.00 O ATOM 751 CB ASN A 52 12.227 -17.662 -8.039 1.00 0.00 C ATOM 752 CG ASN A 52 12.289 -19.184 -8.291 1.00 0.00 C ATOM 753 OD1 ASN A 52 12.788 -19.640 -9.320 1.00 0.00 O ATOM 754 ND2 ASN A 52 11.797 -19.994 -7.365 1.00 0.00 N ATOM 0 H ASN A 52 12.286 -14.751 -8.754 1.00 0.00 H new ATOM 0 HA ASN A 52 12.892 -17.328 -10.060 1.00 0.00 H new ATOM 0 HB2 ASN A 52 13.047 -17.384 -7.377 1.00 0.00 H new ATOM 0 HB3 ASN A 52 11.301 -17.432 -7.513 1.00 0.00 H new ATOM 0 HD21 ASN A 52 11.830 -21.004 -7.502 1.00 0.00 H new ATOM 0 HD22 ASN A 52 11.385 -19.607 -6.516 1.00 0.00 H new ATOM 761 N PRO A 53 10.728 -16.390 -11.316 1.00 0.00 N ATOM 762 CA PRO A 53 9.433 -16.033 -11.949 1.00 0.00 C ATOM 763 C PRO A 53 8.457 -17.240 -12.035 1.00 0.00 C ATOM 764 O PRO A 53 8.821 -18.377 -11.715 1.00 0.00 O ATOM 765 CB PRO A 53 9.881 -15.498 -13.325 1.00 0.00 C ATOM 766 CG PRO A 53 11.205 -16.197 -13.644 1.00 0.00 C ATOM 767 CD PRO A 53 11.849 -16.454 -12.285 1.00 0.00 C ATOM 0 HA PRO A 53 8.852 -15.305 -11.383 1.00 0.00 H new ATOM 0 HB2 PRO A 53 9.133 -15.713 -14.089 1.00 0.00 H new ATOM 0 HB3 PRO A 53 10.008 -14.416 -13.299 1.00 0.00 H new ATOM 0 HG2 PRO A 53 11.040 -17.128 -14.186 1.00 0.00 H new ATOM 0 HG3 PRO A 53 11.841 -15.572 -14.271 1.00 0.00 H new ATOM 0 HD2 PRO A 53 12.340 -17.427 -12.258 1.00 0.00 H new ATOM 0 HD3 PRO A 53 12.610 -15.706 -12.060 1.00 0.00 H new ATOM 775 N THR A 54 7.222 -16.971 -12.501 1.00 0.00 N ATOM 776 CA THR A 54 6.165 -18.007 -12.655 1.00 0.00 C ATOM 777 C THR A 54 4.981 -17.404 -13.459 1.00 0.00 C ATOM 778 O THR A 54 4.731 -16.194 -13.401 1.00 0.00 O ATOM 779 CB THR A 54 5.723 -18.598 -11.279 1.00 0.00 C ATOM 780 OG1 THR A 54 5.364 -19.972 -11.415 1.00 0.00 O ATOM 781 CG2 THR A 54 4.553 -17.868 -10.594 1.00 0.00 C ATOM 0 H THR A 54 6.923 -16.037 -12.782 1.00 0.00 H new ATOM 0 HA THR A 54 6.566 -18.852 -13.214 1.00 0.00 H new ATOM 0 HB THR A 54 6.597 -18.465 -10.641 1.00 0.00 H new ATOM 0 HG1 THR A 54 5.091 -20.327 -10.543 1.00 0.00 H new ATOM 0 HG21 THR A 54 4.324 -18.356 -9.647 1.00 0.00 H new ATOM 0 HG22 THR A 54 4.830 -16.830 -10.410 1.00 0.00 H new ATOM 0 HG23 THR A 54 3.676 -17.900 -11.240 1.00 0.00 H new ATOM 789 N LYS A 55 4.267 -18.262 -14.212 1.00 0.00 N ATOM 790 CA LYS A 55 3.179 -17.829 -15.129 1.00 0.00 C ATOM 791 C LYS A 55 1.893 -17.595 -14.291 1.00 0.00 C ATOM 792 O LYS A 55 1.080 -16.719 -14.617 1.00 0.00 O ATOM 793 CB LYS A 55 2.974 -18.887 -16.257 1.00 0.00 C ATOM 794 CG LYS A 55 4.052 -18.954 -17.366 1.00 0.00 C ATOM 795 CD LYS A 55 5.485 -19.257 -16.873 1.00 0.00 C ATOM 796 CE LYS A 55 5.645 -20.608 -16.148 1.00 0.00 C ATOM 797 NZ LYS A 55 6.334 -21.629 -16.960 1.00 0.00 N ATOM 0 H LYS A 55 4.422 -19.270 -14.207 1.00 0.00 H new ATOM 0 HA LYS A 55 3.440 -16.894 -15.624 1.00 0.00 H new ATOM 0 HB2 LYS A 55 2.907 -19.870 -15.791 1.00 0.00 H new ATOM 0 HB3 LYS A 55 2.012 -18.693 -16.732 1.00 0.00 H new ATOM 0 HG2 LYS A 55 3.763 -19.720 -18.086 1.00 0.00 H new ATOM 0 HG3 LYS A 55 4.062 -18.003 -17.899 1.00 0.00 H new ATOM 0 HD2 LYS A 55 6.161 -19.237 -17.728 1.00 0.00 H new ATOM 0 HD3 LYS A 55 5.799 -18.459 -16.200 1.00 0.00 H new ATOM 0 HE2 LYS A 55 6.202 -20.453 -15.224 1.00 0.00 H new ATOM 0 HE3 LYS A 55 4.660 -20.981 -15.868 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 6.409 -22.512 -16.416 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 5.793 -21.804 -17.831 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 7.286 -21.292 -17.206 1.00 0.00 H new ATOM 811 N GLU A 56 1.707 -18.404 -13.232 1.00 0.00 N ATOM 812 CA GLU A 56 0.473 -18.386 -12.401 1.00 0.00 C ATOM 813 C GLU A 56 0.445 -17.072 -11.574 1.00 0.00 C ATOM 814 O GLU A 56 -0.628 -16.509 -11.319 1.00 0.00 O ATOM 815 CB GLU A 56 0.395 -19.672 -11.528 1.00 0.00 C ATOM 816 CG GLU A 56 -0.212 -20.926 -12.201 1.00 0.00 C ATOM 817 CD GLU A 56 0.397 -22.249 -11.727 1.00 0.00 C ATOM 818 OE1 GLU A 56 1.539 -22.242 -11.215 1.00 0.00 O ATOM 819 OE2 GLU A 56 -0.262 -23.304 -11.867 1.00 0.00 O ATOM 0 H GLU A 56 2.399 -19.087 -12.924 1.00 0.00 H new ATOM 0 HA GLU A 56 -0.419 -18.395 -13.028 1.00 0.00 H new ATOM 0 HB2 GLU A 56 1.402 -19.918 -11.192 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -0.191 -19.445 -10.637 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -1.285 -20.944 -12.010 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -0.082 -20.845 -13.280 1.00 0.00 H new ATOM 826 N GLU A 57 1.631 -16.611 -11.135 1.00 0.00 N ATOM 827 CA GLU A 57 1.764 -15.434 -10.236 1.00 0.00 C ATOM 828 C GLU A 57 1.513 -14.136 -11.049 1.00 0.00 C ATOM 829 O GLU A 57 0.992 -13.148 -10.515 1.00 0.00 O ATOM 830 CB GLU A 57 3.143 -15.430 -9.513 1.00 0.00 C ATOM 831 CG GLU A 57 4.383 -14.990 -10.330 1.00 0.00 C ATOM 832 CD GLU A 57 5.690 -14.979 -9.530 1.00 0.00 C ATOM 833 OE1 GLU A 57 5.653 -14.690 -8.314 1.00 0.00 O ATOM 834 OE2 GLU A 57 6.760 -15.256 -10.116 1.00 0.00 O ATOM 0 H GLU A 57 2.523 -17.036 -11.388 1.00 0.00 H new ATOM 0 HA GLU A 57 1.012 -15.490 -9.449 1.00 0.00 H new ATOM 0 HB2 GLU A 57 3.064 -14.776 -8.644 1.00 0.00 H new ATOM 0 HB3 GLU A 57 3.328 -16.437 -9.138 1.00 0.00 H new ATOM 0 HG2 GLU A 57 4.498 -15.658 -11.183 1.00 0.00 H new ATOM 0 HG3 GLU A 57 4.206 -13.991 -10.729 1.00 0.00 H new ATOM 841 N LEU A 58 1.917 -14.142 -12.333 1.00 0.00 N ATOM 842 CA LEU A 58 1.849 -12.942 -13.209 1.00 0.00 C ATOM 843 C LEU A 58 0.377 -12.722 -13.651 1.00 0.00 C ATOM 844 O LEU A 58 -0.120 -11.590 -13.649 1.00 0.00 O ATOM 845 CB LEU A 58 2.841 -13.134 -14.394 1.00 0.00 C ATOM 846 CG LEU A 58 4.197 -12.377 -14.297 1.00 0.00 C ATOM 847 CD1 LEU A 58 4.029 -10.871 -14.003 1.00 0.00 C ATOM 848 CD2 LEU A 58 5.100 -13.020 -13.226 1.00 0.00 C ATOM 0 H LEU A 58 2.298 -14.968 -12.796 1.00 0.00 H new ATOM 0 HA LEU A 58 2.154 -12.036 -12.685 1.00 0.00 H new ATOM 0 HB2 LEU A 58 3.052 -14.199 -14.493 1.00 0.00 H new ATOM 0 HB3 LEU A 58 2.341 -12.821 -15.311 1.00 0.00 H new ATOM 0 HG LEU A 58 4.667 -12.463 -15.277 1.00 0.00 H new ATOM 0 HD11 LEU A 58 5.010 -10.399 -13.947 1.00 0.00 H new ATOM 0 HD12 LEU A 58 3.448 -10.407 -14.800 1.00 0.00 H new ATOM 0 HD13 LEU A 58 3.510 -10.741 -13.053 1.00 0.00 H new ATOM 0 HD21 LEU A 58 6.044 -12.477 -13.172 1.00 0.00 H new ATOM 0 HD22 LEU A 58 4.602 -12.978 -12.257 1.00 0.00 H new ATOM 0 HD23 LEU A 58 5.294 -14.060 -13.490 1.00 0.00 H new ATOM 860 N ASP A 59 -0.312 -13.826 -13.998 1.00 0.00 N ATOM 861 CA ASP A 59 -1.710 -13.790 -14.504 1.00 0.00 C ATOM 862 C ASP A 59 -2.659 -13.456 -13.321 1.00 0.00 C ATOM 863 O ASP A 59 -3.659 -12.749 -13.493 1.00 0.00 O ATOM 864 CB ASP A 59 -2.093 -15.116 -15.224 1.00 0.00 C ATOM 865 CG ASP A 59 -3.468 -15.137 -15.914 1.00 0.00 C ATOM 866 OD1 ASP A 59 -4.477 -15.458 -15.247 1.00 0.00 O ATOM 867 OD2 ASP A 59 -3.540 -14.841 -17.127 1.00 0.00 O ATOM 0 H ASP A 59 0.077 -14.767 -13.938 1.00 0.00 H new ATOM 0 HA ASP A 59 -1.808 -13.010 -15.259 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -1.330 -15.333 -15.972 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -2.063 -15.924 -14.494 1.00 0.00 H new ATOM 872 N ALA A 60 -2.311 -13.949 -12.118 1.00 0.00 N ATOM 873 CA ALA A 60 -3.057 -13.642 -10.868 1.00 0.00 C ATOM 874 C ALA A 60 -2.790 -12.178 -10.422 1.00 0.00 C ATOM 875 O ALA A 60 -3.637 -11.556 -9.768 1.00 0.00 O ATOM 876 CB ALA A 60 -2.651 -14.656 -9.780 1.00 0.00 C ATOM 0 H ALA A 60 -1.512 -14.567 -11.978 1.00 0.00 H new ATOM 0 HA ALA A 60 -4.129 -13.732 -11.043 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -3.193 -14.439 -8.860 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -2.893 -15.665 -10.114 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -1.579 -14.582 -9.596 1.00 0.00 H new ATOM 882 N ILE A 61 -1.595 -11.657 -10.757 1.00 0.00 N ATOM 883 CA ILE A 61 -1.133 -10.314 -10.316 1.00 0.00 C ATOM 884 C ILE A 61 -2.054 -9.281 -11.023 1.00 0.00 C ATOM 885 O ILE A 61 -2.408 -8.251 -10.434 1.00 0.00 O ATOM 886 CB ILE A 61 0.408 -10.109 -10.569 1.00 0.00 C ATOM 887 CG1 ILE A 61 1.271 -10.387 -9.297 1.00 0.00 C ATOM 888 CG2 ILE A 61 0.736 -8.701 -11.136 1.00 0.00 C ATOM 889 CD1 ILE A 61 2.162 -9.227 -8.825 1.00 0.00 C ATOM 0 H ILE A 61 -0.918 -12.149 -11.340 1.00 0.00 H new ATOM 0 HA ILE A 61 -1.222 -10.186 -9.237 1.00 0.00 H new ATOM 0 HB ILE A 61 0.674 -10.850 -11.323 1.00 0.00 H new ATOM 0 HG12 ILE A 61 0.603 -10.662 -8.481 1.00 0.00 H new ATOM 0 HG13 ILE A 61 1.906 -11.251 -9.494 1.00 0.00 H new ATOM 0 HG21 ILE A 61 1.811 -8.613 -11.292 1.00 0.00 H new ATOM 0 HG22 ILE A 61 0.219 -8.562 -12.085 1.00 0.00 H new ATOM 0 HG23 ILE A 61 0.408 -7.939 -10.429 1.00 0.00 H new ATOM 0 HD11 ILE A 61 2.715 -9.531 -7.936 1.00 0.00 H new ATOM 0 HD12 ILE A 61 2.864 -8.962 -9.616 1.00 0.00 H new ATOM 0 HD13 ILE A 61 1.540 -8.364 -8.587 1.00 0.00 H new ATOM 901 N ILE A 62 -2.408 -9.557 -12.292 1.00 0.00 N ATOM 902 CA ILE A 62 -3.190 -8.626 -13.151 1.00 0.00 C ATOM 903 C ILE A 62 -4.679 -8.808 -12.747 1.00 0.00 C ATOM 904 O ILE A 62 -5.428 -7.826 -12.654 1.00 0.00 O ATOM 905 CB ILE A 62 -2.886 -8.842 -14.681 1.00 0.00 C ATOM 906 CG1 ILE A 62 -1.528 -8.210 -15.122 1.00 0.00 C ATOM 907 CG2 ILE A 62 -4.032 -8.328 -15.594 1.00 0.00 C ATOM 908 CD1 ILE A 62 -1.335 -8.023 -16.636 1.00 0.00 C ATOM 0 H ILE A 62 -2.163 -10.431 -12.758 1.00 0.00 H new ATOM 0 HA ILE A 62 -2.906 -7.586 -12.992 1.00 0.00 H new ATOM 0 HB ILE A 62 -2.810 -9.922 -14.806 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -1.428 -7.238 -14.640 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -0.719 -8.837 -14.747 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -3.771 -8.501 -16.638 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -4.953 -8.861 -15.357 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -4.178 -7.260 -15.429 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -0.359 -7.577 -16.826 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -1.395 -8.991 -17.133 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -2.115 -7.368 -17.024 1.00 0.00 H new ATOM 920 N GLU A 63 -5.086 -10.067 -12.491 1.00 0.00 N ATOM 921 CA GLU A 63 -6.481 -10.401 -12.096 1.00 0.00 C ATOM 922 C GLU A 63 -6.846 -9.585 -10.825 1.00 0.00 C ATOM 923 O GLU A 63 -8.009 -9.209 -10.633 1.00 0.00 O ATOM 924 CB GLU A 63 -6.646 -11.938 -11.914 1.00 0.00 C ATOM 925 CG GLU A 63 -8.021 -12.428 -11.402 1.00 0.00 C ATOM 926 CD GLU A 63 -8.377 -13.856 -11.830 1.00 0.00 C ATOM 927 OE1 GLU A 63 -8.873 -14.042 -12.963 1.00 0.00 O ATOM 928 OE2 GLU A 63 -8.163 -14.797 -11.034 1.00 0.00 O ATOM 0 H GLU A 63 -4.469 -10.877 -12.549 1.00 0.00 H new ATOM 0 HA GLU A 63 -7.182 -10.122 -12.882 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -6.448 -12.418 -12.872 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -5.880 -12.284 -11.220 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -8.032 -12.373 -10.313 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -8.794 -11.749 -11.763 1.00 0.00 H new ATOM 935 N GLU A 64 -5.847 -9.349 -9.955 1.00 0.00 N ATOM 936 CA GLU A 64 -6.053 -8.682 -8.642 1.00 0.00 C ATOM 937 C GLU A 64 -6.860 -7.375 -8.872 1.00 0.00 C ATOM 938 O GLU A 64 -7.852 -7.116 -8.179 1.00 0.00 O ATOM 939 CB GLU A 64 -4.686 -8.454 -7.936 1.00 0.00 C ATOM 940 CG GLU A 64 -4.636 -7.332 -6.871 1.00 0.00 C ATOM 941 CD GLU A 64 -4.455 -7.837 -5.436 1.00 0.00 C ATOM 942 OE1 GLU A 64 -3.305 -8.127 -5.037 1.00 0.00 O ATOM 943 OE2 GLU A 64 -5.461 -7.944 -4.700 1.00 0.00 O ATOM 0 H GLU A 64 -4.878 -9.611 -10.134 1.00 0.00 H new ATOM 0 HA GLU A 64 -6.634 -9.312 -7.968 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -4.388 -9.389 -7.461 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -3.941 -8.233 -8.700 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -3.817 -6.654 -7.112 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -5.557 -6.752 -6.927 1.00 0.00 H new ATOM 950 N VAL A 65 -6.424 -6.568 -9.857 1.00 0.00 N ATOM 951 CA VAL A 65 -7.021 -5.236 -10.144 1.00 0.00 C ATOM 952 C VAL A 65 -7.212 -5.133 -11.682 1.00 0.00 C ATOM 953 O VAL A 65 -6.234 -4.999 -12.430 1.00 0.00 O ATOM 954 CB VAL A 65 -6.170 -4.067 -9.531 1.00 0.00 C ATOM 955 CG1 VAL A 65 -4.673 -4.431 -9.378 1.00 0.00 C ATOM 956 CG2 VAL A 65 -6.263 -2.734 -10.316 1.00 0.00 C ATOM 0 H VAL A 65 -5.652 -6.813 -10.477 1.00 0.00 H new ATOM 0 HA VAL A 65 -7.993 -5.136 -9.662 1.00 0.00 H new ATOM 0 HB VAL A 65 -6.619 -3.920 -8.549 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -4.135 -3.585 -8.950 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -4.574 -5.295 -8.721 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -4.255 -4.670 -10.356 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -5.647 -1.980 -9.827 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -5.909 -2.887 -11.335 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -7.299 -2.397 -10.339 1.00 0.00 H new ATOM 966 N ASP A 66 -8.476 -5.196 -12.143 1.00 0.00 N ATOM 967 CA ASP A 66 -8.817 -5.111 -13.588 1.00 0.00 C ATOM 968 C ASP A 66 -10.332 -4.784 -13.720 1.00 0.00 C ATOM 969 O ASP A 66 -11.047 -5.408 -14.512 1.00 0.00 O ATOM 970 CB ASP A 66 -8.405 -6.405 -14.350 1.00 0.00 C ATOM 971 CG ASP A 66 -7.779 -6.200 -15.740 1.00 0.00 C ATOM 972 OD1 ASP A 66 -7.329 -5.072 -16.042 1.00 0.00 O ATOM 973 OD2 ASP A 66 -7.745 -7.165 -16.536 1.00 0.00 O ATOM 0 H ASP A 66 -9.288 -5.306 -11.535 1.00 0.00 H new ATOM 0 HA ASP A 66 -8.249 -4.309 -14.058 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -7.696 -6.956 -13.732 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -9.288 -7.034 -14.461 1.00 0.00 H new ATOM 978 N GLU A 67 -10.798 -3.815 -12.904 1.00 0.00 N ATOM 979 CA GLU A 67 -12.225 -3.393 -12.888 1.00 0.00 C ATOM 980 C GLU A 67 -12.682 -3.159 -14.354 1.00 0.00 C ATOM 981 O GLU A 67 -13.834 -3.432 -14.708 1.00 0.00 O ATOM 982 CB GLU A 67 -12.429 -2.151 -11.971 1.00 0.00 C ATOM 983 CG GLU A 67 -12.657 -2.434 -10.467 1.00 0.00 C ATOM 984 CD GLU A 67 -11.369 -2.657 -9.669 1.00 0.00 C ATOM 985 OE1 GLU A 67 -10.342 -2.018 -9.987 1.00 0.00 O ATOM 986 OE2 GLU A 67 -11.379 -3.473 -8.721 1.00 0.00 O ATOM 0 H GLU A 67 -10.210 -3.306 -12.244 1.00 0.00 H new ATOM 0 HA GLU A 67 -12.852 -4.174 -12.458 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -11.555 -1.508 -12.068 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -13.283 -1.587 -12.345 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -13.202 -1.597 -10.030 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -13.291 -3.315 -10.366 1.00 0.00 H new ATOM 993 N ASP A 68 -11.761 -2.648 -15.195 1.00 0.00 N ATOM 994 CA ASP A 68 -12.052 -2.323 -16.617 1.00 0.00 C ATOM 995 C ASP A 68 -11.959 -3.627 -17.454 1.00 0.00 C ATOM 996 O ASP A 68 -12.769 -3.864 -18.359 1.00 0.00 O ATOM 997 CB ASP A 68 -11.119 -1.198 -17.155 1.00 0.00 C ATOM 998 CG ASP A 68 -9.801 -0.989 -16.389 1.00 0.00 C ATOM 999 OD1 ASP A 68 -8.898 -1.849 -16.491 1.00 0.00 O ATOM 1000 OD2 ASP A 68 -9.670 0.032 -15.680 1.00 0.00 O ATOM 0 H ASP A 68 -10.800 -2.448 -14.917 1.00 0.00 H new ATOM 0 HA ASP A 68 -13.063 -1.925 -16.701 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -10.880 -1.418 -18.195 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -11.673 -0.259 -17.147 1.00 0.00 H new ATOM 1005 N GLY A 69 -10.975 -4.488 -17.121 1.00 0.00 N ATOM 1006 CA GLY A 69 -10.783 -5.789 -17.808 1.00 0.00 C ATOM 1007 C GLY A 69 -10.064 -5.579 -19.167 1.00 0.00 C ATOM 1008 O GLY A 69 -10.541 -6.041 -20.212 1.00 0.00 O ATOM 0 H GLY A 69 -10.298 -4.308 -16.379 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -10.196 -6.458 -17.178 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -11.748 -6.269 -17.970 1.00 0.00 H new ATOM 1012 N SER A 70 -8.916 -4.878 -19.129 1.00 0.00 N ATOM 1013 CA SER A 70 -8.113 -4.558 -20.339 1.00 0.00 C ATOM 1014 C SER A 70 -6.979 -5.604 -20.511 1.00 0.00 C ATOM 1015 O SER A 70 -6.563 -5.918 -21.632 1.00 0.00 O ATOM 1016 CB SER A 70 -7.570 -3.114 -20.229 1.00 0.00 C ATOM 1017 OG SER A 70 -7.238 -2.785 -18.884 1.00 0.00 O ATOM 0 H SER A 70 -8.514 -4.515 -18.265 1.00 0.00 H new ATOM 0 HA SER A 70 -8.737 -4.609 -21.231 1.00 0.00 H new ATOM 0 HB2 SER A 70 -6.688 -3.006 -20.860 1.00 0.00 H new ATOM 0 HB3 SER A 70 -8.317 -2.413 -20.603 1.00 0.00 H new ATOM 0 HG SER A 70 -8.049 -2.521 -18.402 1.00 0.00 H new ATOM 1023 N GLY A 71 -6.471 -6.128 -19.376 1.00 0.00 N ATOM 1024 CA GLY A 71 -5.370 -7.123 -19.377 1.00 0.00 C ATOM 1025 C GLY A 71 -4.000 -6.412 -19.528 1.00 0.00 C ATOM 1026 O GLY A 71 -3.063 -6.963 -20.119 1.00 0.00 O ATOM 0 H GLY A 71 -6.804 -5.880 -18.444 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -5.389 -7.697 -18.451 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -5.512 -7.831 -20.194 1.00 0.00 H new ATOM 1030 N THR A 72 -3.906 -5.183 -18.985 1.00 0.00 N ATOM 1031 CA THR A 72 -2.669 -4.358 -19.029 1.00 0.00 C ATOM 1032 C THR A 72 -2.725 -3.312 -17.883 1.00 0.00 C ATOM 1033 O THR A 72 -3.808 -2.848 -17.504 1.00 0.00 O ATOM 1034 CB THR A 72 -2.449 -3.706 -20.431 1.00 0.00 C ATOM 1035 OG1 THR A 72 -3.529 -2.835 -20.756 1.00 0.00 O ATOM 1036 CG2 THR A 72 -2.271 -4.699 -21.595 1.00 0.00 C ATOM 0 H THR A 72 -4.681 -4.729 -18.502 1.00 0.00 H new ATOM 0 HA THR A 72 -1.801 -4.999 -18.874 1.00 0.00 H new ATOM 0 HB THR A 72 -1.509 -3.165 -20.328 1.00 0.00 H new ATOM 0 HG1 THR A 72 -3.337 -1.936 -20.417 1.00 0.00 H new ATOM 0 HG21 THR A 72 -2.125 -4.148 -22.524 1.00 0.00 H new ATOM 0 HG22 THR A 72 -1.402 -5.329 -21.406 1.00 0.00 H new ATOM 0 HG23 THR A 72 -3.160 -5.324 -21.680 1.00 0.00 H new ATOM 1044 N ILE A 73 -1.551 -2.972 -17.318 1.00 0.00 N ATOM 1045 CA ILE A 73 -1.432 -1.986 -16.210 1.00 0.00 C ATOM 1046 C ILE A 73 -1.121 -0.618 -16.877 1.00 0.00 C ATOM 1047 O ILE A 73 0.036 -0.176 -16.895 1.00 0.00 O ATOM 1048 CB ILE A 73 -0.389 -2.445 -15.123 1.00 0.00 C ATOM 1049 CG1 ILE A 73 -0.875 -3.684 -14.305 1.00 0.00 C ATOM 1050 CG2 ILE A 73 0.011 -1.296 -14.158 1.00 0.00 C ATOM 1051 CD1 ILE A 73 -1.625 -4.763 -15.105 1.00 0.00 C ATOM 0 H ILE A 73 -0.657 -3.367 -17.610 1.00 0.00 H new ATOM 0 HA ILE A 73 -2.356 -1.899 -15.639 1.00 0.00 H new ATOM 0 HB ILE A 73 0.497 -2.740 -15.686 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -0.008 -4.146 -13.832 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -1.526 -3.334 -13.504 1.00 0.00 H new ATOM 0 HG21 ILE A 73 0.732 -1.667 -13.429 1.00 0.00 H new ATOM 0 HG22 ILE A 73 0.458 -0.481 -14.728 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -0.875 -0.932 -13.639 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -1.915 -5.575 -14.438 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -2.517 -4.328 -15.556 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -0.975 -5.152 -15.889 1.00 0.00 H new ATOM 1063 N ASP A 74 -2.165 0.052 -17.400 1.00 0.00 N ATOM 1064 CA ASP A 74 -2.027 1.373 -18.070 1.00 0.00 C ATOM 1065 C ASP A 74 -1.460 2.404 -17.053 1.00 0.00 C ATOM 1066 O ASP A 74 -1.176 2.077 -15.892 1.00 0.00 O ATOM 1067 CB ASP A 74 -3.371 1.837 -18.702 1.00 0.00 C ATOM 1068 CG ASP A 74 -4.328 0.720 -19.152 1.00 0.00 C ATOM 1069 OD1 ASP A 74 -4.169 0.205 -20.281 1.00 0.00 O ATOM 1070 OD2 ASP A 74 -5.245 0.362 -18.380 1.00 0.00 O ATOM 0 H ASP A 74 -3.123 -0.297 -17.374 1.00 0.00 H new ATOM 0 HA ASP A 74 -1.324 1.286 -18.899 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -3.892 2.464 -17.979 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -3.146 2.464 -19.565 1.00 0.00 H new ATOM 1075 N PHE A 75 -1.290 3.659 -17.512 1.00 0.00 N ATOM 1076 CA PHE A 75 -0.723 4.757 -16.680 1.00 0.00 C ATOM 1077 C PHE A 75 -1.746 5.110 -15.567 1.00 0.00 C ATOM 1078 O PHE A 75 -1.373 5.317 -14.407 1.00 0.00 O ATOM 1079 CB PHE A 75 -0.371 5.987 -17.566 1.00 0.00 C ATOM 1080 CG PHE A 75 0.407 7.112 -16.854 1.00 0.00 C ATOM 1081 CD1 PHE A 75 0.422 7.190 -15.456 1.00 0.00 C ATOM 1082 CD2 PHE A 75 1.114 8.063 -17.599 1.00 0.00 C ATOM 1083 CE1 PHE A 75 1.098 8.226 -14.817 1.00 0.00 C ATOM 1084 CE2 PHE A 75 1.793 9.096 -16.957 1.00 0.00 C ATOM 1085 CZ PHE A 75 1.768 9.188 -15.568 1.00 0.00 C ATOM 0 H PHE A 75 -1.537 3.946 -18.459 1.00 0.00 H new ATOM 0 HA PHE A 75 0.207 4.436 -16.210 1.00 0.00 H new ATOM 0 HB2 PHE A 75 0.217 5.644 -18.417 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -1.296 6.404 -17.964 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -0.093 6.443 -14.871 1.00 0.00 H new ATOM 0 HD2 PHE A 75 1.133 7.996 -18.677 1.00 0.00 H new ATOM 0 HE1 PHE A 75 1.103 8.283 -13.739 1.00 0.00 H new ATOM 0 HE2 PHE A 75 2.339 9.826 -17.537 1.00 0.00 H new ATOM 0 HZ PHE A 75 2.269 10.007 -15.073 1.00 0.00 H new ATOM 1095 N GLU A 76 -3.040 5.143 -15.937 1.00 0.00 N ATOM 1096 CA GLU A 76 -4.141 5.528 -15.015 1.00 0.00 C ATOM 1097 C GLU A 76 -4.287 4.442 -13.914 1.00 0.00 C ATOM 1098 O GLU A 76 -4.604 4.752 -12.760 1.00 0.00 O ATOM 1099 CB GLU A 76 -5.466 5.773 -15.794 1.00 0.00 C ATOM 1100 CG GLU A 76 -5.711 7.178 -16.398 1.00 0.00 C ATOM 1101 CD GLU A 76 -4.681 8.235 -15.989 1.00 0.00 C ATOM 1102 OE1 GLU A 76 -3.573 8.258 -16.569 1.00 0.00 O ATOM 1103 OE2 GLU A 76 -4.977 9.051 -15.087 1.00 0.00 O ATOM 0 H GLU A 76 -3.357 4.906 -16.877 1.00 0.00 H new ATOM 0 HA GLU A 76 -3.899 6.473 -14.529 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -5.513 5.048 -16.607 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -6.294 5.551 -15.121 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -5.716 7.096 -17.485 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -6.702 7.520 -16.099 1.00 0.00 H new ATOM 1110 N GLU A 77 -4.028 3.176 -14.290 1.00 0.00 N ATOM 1111 CA GLU A 77 -4.164 2.005 -13.383 1.00 0.00 C ATOM 1112 C GLU A 77 -2.956 1.953 -12.407 1.00 0.00 C ATOM 1113 O GLU A 77 -3.074 1.433 -11.289 1.00 0.00 O ATOM 1114 CB GLU A 77 -4.310 0.676 -14.181 1.00 0.00 C ATOM 1115 CG GLU A 77 -4.780 -0.561 -13.379 1.00 0.00 C ATOM 1116 CD GLU A 77 -5.880 -1.354 -14.088 1.00 0.00 C ATOM 1117 OE1 GLU A 77 -6.753 -0.734 -14.735 1.00 0.00 O ATOM 1118 OE2 GLU A 77 -5.874 -2.603 -14.007 1.00 0.00 O ATOM 0 H GLU A 77 -3.718 2.929 -15.230 1.00 0.00 H new ATOM 0 HA GLU A 77 -5.078 2.123 -12.800 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -5.015 0.843 -14.996 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -3.347 0.443 -14.635 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -3.927 -1.215 -13.199 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -5.145 -0.237 -12.404 1.00 0.00 H new ATOM 1125 N PHE A 78 -1.801 2.486 -12.845 1.00 0.00 N ATOM 1126 CA PHE A 78 -0.554 2.507 -12.035 1.00 0.00 C ATOM 1127 C PHE A 78 -0.746 3.475 -10.836 1.00 0.00 C ATOM 1128 O PHE A 78 -0.484 3.114 -9.683 1.00 0.00 O ATOM 1129 CB PHE A 78 0.667 2.897 -12.925 1.00 0.00 C ATOM 1130 CG PHE A 78 2.034 2.867 -12.212 1.00 0.00 C ATOM 1131 CD1 PHE A 78 2.292 1.929 -11.206 1.00 0.00 C ATOM 1132 CD2 PHE A 78 3.043 3.763 -12.588 1.00 0.00 C ATOM 1133 CE1 PHE A 78 3.547 1.874 -10.602 1.00 0.00 C ATOM 1134 CE2 PHE A 78 4.296 3.706 -11.981 1.00 0.00 C ATOM 1135 CZ PHE A 78 4.546 2.763 -10.989 1.00 0.00 C ATOM 0 H PHE A 78 -1.698 2.914 -13.765 1.00 0.00 H new ATOM 0 HA PHE A 78 -0.346 1.513 -11.638 1.00 0.00 H new ATOM 0 HB2 PHE A 78 0.705 2.220 -13.779 1.00 0.00 H new ATOM 0 HB3 PHE A 78 0.503 3.900 -13.320 1.00 0.00 H new ATOM 0 HD1 PHE A 78 1.516 1.245 -10.896 1.00 0.00 H new ATOM 0 HD2 PHE A 78 2.849 4.501 -13.352 1.00 0.00 H new ATOM 0 HE1 PHE A 78 3.744 1.141 -9.833 1.00 0.00 H new ATOM 0 HE2 PHE A 78 5.073 4.394 -12.281 1.00 0.00 H new ATOM 0 HZ PHE A 78 5.517 2.721 -10.518 1.00 0.00 H new ATOM 1145 N LEU A 79 -1.179 4.715 -11.133 1.00 0.00 N ATOM 1146 CA LEU A 79 -1.306 5.798 -10.122 1.00 0.00 C ATOM 1147 C LEU A 79 -2.428 5.410 -9.119 1.00 0.00 C ATOM 1148 O LEU A 79 -2.350 5.742 -7.930 1.00 0.00 O ATOM 1149 CB LEU A 79 -1.596 7.167 -10.809 1.00 0.00 C ATOM 1150 CG LEU A 79 -0.657 7.601 -11.972 1.00 0.00 C ATOM 1151 CD1 LEU A 79 -1.041 8.994 -12.508 1.00 0.00 C ATOM 1152 CD2 LEU A 79 0.831 7.586 -11.569 1.00 0.00 C ATOM 0 H LEU A 79 -1.451 5.000 -12.074 1.00 0.00 H new ATOM 0 HA LEU A 79 -0.367 5.912 -9.580 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -2.616 7.142 -11.192 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -1.562 7.942 -10.043 1.00 0.00 H new ATOM 0 HG LEU A 79 -0.792 6.864 -12.764 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -0.368 9.270 -13.319 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -2.066 8.971 -12.879 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -0.962 9.727 -11.705 1.00 0.00 H new ATOM 0 HD21 LEU A 79 1.441 7.897 -12.417 1.00 0.00 H new ATOM 0 HD22 LEU A 79 0.990 8.272 -10.737 1.00 0.00 H new ATOM 0 HD23 LEU A 79 1.116 6.578 -11.267 1.00 0.00 H new ATOM 1164 N VAL A 80 -3.470 4.720 -9.617 1.00 0.00 N ATOM 1165 CA VAL A 80 -4.633 4.287 -8.797 1.00 0.00 C ATOM 1166 C VAL A 80 -4.135 3.223 -7.781 1.00 0.00 C ATOM 1167 O VAL A 80 -4.538 3.233 -6.610 1.00 0.00 O ATOM 1168 CB VAL A 80 -5.826 3.792 -9.692 1.00 0.00 C ATOM 1169 CG1 VAL A 80 -5.789 2.267 -9.949 1.00 0.00 C ATOM 1170 CG2 VAL A 80 -7.228 4.153 -9.139 1.00 0.00 C ATOM 0 H VAL A 80 -3.537 4.444 -10.597 1.00 0.00 H new ATOM 0 HA VAL A 80 -5.042 5.131 -8.241 1.00 0.00 H new ATOM 0 HB VAL A 80 -5.676 4.331 -10.628 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -6.637 1.982 -10.572 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -4.861 2.006 -10.457 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -5.843 1.736 -8.998 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -7.994 3.775 -9.816 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -7.358 3.702 -8.155 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -7.319 5.236 -9.056 1.00 0.00 H new ATOM 1180 N MET A 81 -3.282 2.294 -8.251 1.00 0.00 N ATOM 1181 CA MET A 81 -2.725 1.195 -7.418 1.00 0.00 C ATOM 1182 C MET A 81 -2.148 1.809 -6.113 1.00 0.00 C ATOM 1183 O MET A 81 -2.508 1.388 -5.006 1.00 0.00 O ATOM 1184 CB MET A 81 -1.657 0.375 -8.199 1.00 0.00 C ATOM 1185 CG MET A 81 -1.498 -1.096 -7.772 1.00 0.00 C ATOM 1186 SD MET A 81 -0.856 -2.076 -9.147 1.00 0.00 S ATOM 1187 CE MET A 81 -0.850 -3.731 -8.429 1.00 0.00 C ATOM 0 H MET A 81 -2.955 2.278 -9.217 1.00 0.00 H new ATOM 0 HA MET A 81 -3.517 0.491 -7.161 1.00 0.00 H new ATOM 0 HB2 MET A 81 -1.910 0.401 -9.259 1.00 0.00 H new ATOM 0 HB3 MET A 81 -0.693 0.872 -8.089 1.00 0.00 H new ATOM 0 HG2 MET A 81 -0.822 -1.164 -6.920 1.00 0.00 H new ATOM 0 HG3 MET A 81 -2.460 -1.495 -7.449 1.00 0.00 H new ATOM 0 HE1 MET A 81 -0.477 -4.445 -9.163 1.00 0.00 H new ATOM 0 HE2 MET A 81 -0.205 -3.744 -7.550 1.00 0.00 H new ATOM 0 HE3 MET A 81 -1.864 -4.005 -8.139 1.00 0.00 H new ATOM 1197 N MET A 82 -1.227 2.780 -6.261 1.00 0.00 N ATOM 1198 CA MET A 82 -0.493 3.384 -5.118 1.00 0.00 C ATOM 1199 C MET A 82 -1.454 4.260 -4.269 1.00 0.00 C ATOM 1200 O MET A 82 -1.269 4.399 -3.052 1.00 0.00 O ATOM 1201 CB MET A 82 0.723 4.193 -5.652 1.00 0.00 C ATOM 1202 CG MET A 82 1.944 3.356 -6.079 1.00 0.00 C ATOM 1203 SD MET A 82 2.850 2.731 -4.645 1.00 0.00 S ATOM 1204 CE MET A 82 2.904 4.183 -3.577 1.00 0.00 C ATOM 0 H MET A 82 -0.968 3.170 -7.167 1.00 0.00 H new ATOM 0 HA MET A 82 -0.111 2.600 -4.464 1.00 0.00 H new ATOM 0 HB2 MET A 82 0.395 4.786 -6.506 1.00 0.00 H new ATOM 0 HB3 MET A 82 1.038 4.894 -4.879 1.00 0.00 H new ATOM 0 HG2 MET A 82 1.616 2.520 -6.696 1.00 0.00 H new ATOM 0 HG3 MET A 82 2.607 3.965 -6.693 1.00 0.00 H new ATOM 0 HE1 MET A 82 3.695 4.061 -2.837 1.00 0.00 H new ATOM 0 HE2 MET A 82 3.104 5.070 -4.178 1.00 0.00 H new ATOM 0 HE3 MET A 82 1.946 4.297 -3.069 1.00 0.00 H new ATOM 1214 N VAL A 83 -2.457 4.870 -4.927 1.00 0.00 N ATOM 1215 CA VAL A 83 -3.391 5.835 -4.287 1.00 0.00 C ATOM 1216 C VAL A 83 -4.181 5.074 -3.189 1.00 0.00 C ATOM 1217 O VAL A 83 -4.514 5.646 -2.143 1.00 0.00 O ATOM 1218 CB VAL A 83 -4.307 6.553 -5.342 1.00 0.00 C ATOM 1219 CG1 VAL A 83 -5.764 6.028 -5.325 1.00 0.00 C ATOM 1220 CG2 VAL A 83 -4.352 8.095 -5.200 1.00 0.00 C ATOM 0 H VAL A 83 -2.649 4.713 -5.916 1.00 0.00 H new ATOM 0 HA VAL A 83 -2.838 6.648 -3.817 1.00 0.00 H new ATOM 0 HB VAL A 83 -3.832 6.308 -6.292 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -6.351 6.560 -6.074 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -5.769 4.961 -5.550 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -6.199 6.193 -4.339 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -5.006 8.512 -5.966 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -4.734 8.359 -4.214 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -3.348 8.501 -5.321 1.00 0.00 H new ATOM 1230 N ARG A 84 -4.502 3.794 -3.454 1.00 0.00 N ATOM 1231 CA ARG A 84 -5.356 2.960 -2.566 1.00 0.00 C ATOM 1232 C ARG A 84 -4.803 3.059 -1.118 1.00 0.00 C ATOM 1233 O ARG A 84 -5.566 3.270 -0.165 1.00 0.00 O ATOM 1234 CB ARG A 84 -5.383 1.485 -3.061 1.00 0.00 C ATOM 1235 CG ARG A 84 -6.742 1.012 -3.628 1.00 0.00 C ATOM 1236 CD ARG A 84 -6.594 -0.106 -4.677 1.00 0.00 C ATOM 1237 NE ARG A 84 -7.814 -0.947 -4.762 1.00 0.00 N ATOM 1238 CZ ARG A 84 -8.933 -0.609 -5.436 1.00 0.00 C ATOM 1239 NH1 ARG A 84 -8.872 0.122 -6.541 1.00 0.00 N ATOM 1240 NH2 ARG A 84 -10.129 -0.997 -5.015 1.00 0.00 N ATOM 0 H ARG A 84 -4.180 3.302 -4.288 1.00 0.00 H new ATOM 0 HA ARG A 84 -6.383 3.324 -2.585 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -4.622 1.362 -3.832 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -5.106 0.834 -2.232 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -7.368 0.656 -2.810 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -7.258 1.860 -4.078 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -6.388 0.335 -5.652 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -5.738 -0.732 -4.423 1.00 0.00 H new ATOM 0 HE ARG A 84 -7.806 -1.844 -4.277 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -7.969 0.438 -6.894 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -9.728 0.368 -7.038 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -10.214 -1.560 -4.169 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -10.964 -0.732 -5.537 1.00 0.00 H new ATOM 1254 N GLN A 85 -3.478 2.877 -0.964 1.00 0.00 N ATOM 1255 CA GLN A 85 -2.815 2.826 0.367 1.00 0.00 C ATOM 1256 C GLN A 85 -2.638 4.278 0.888 1.00 0.00 C ATOM 1257 O GLN A 85 -2.772 4.538 2.090 1.00 0.00 O ATOM 1258 CB GLN A 85 -1.464 2.061 0.265 1.00 0.00 C ATOM 1259 CG GLN A 85 -1.552 0.515 0.279 1.00 0.00 C ATOM 1260 CD GLN A 85 -0.420 -0.180 1.056 1.00 0.00 C ATOM 1261 OE1 GLN A 85 -0.642 -1.157 1.772 1.00 0.00 O ATOM 1262 NE2 GLN A 85 0.810 0.298 0.932 1.00 0.00 N ATOM 0 H GLN A 85 -2.835 2.761 -1.747 1.00 0.00 H new ATOM 0 HA GLN A 85 -3.429 2.279 1.082 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -0.965 2.368 -0.654 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -0.829 2.376 1.093 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -2.508 0.222 0.714 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -1.545 0.154 -0.749 1.00 0.00 H new ATOM 0 HE21 GLN A 85 0.985 1.108 0.337 1.00 0.00 H new ATOM 0 HE22 GLN A 85 1.582 -0.144 1.432 1.00 0.00 H new ATOM 1271 N MET A 86 -2.306 5.205 -0.030 1.00 0.00 N ATOM 1272 CA MET A 86 -1.993 6.618 0.311 1.00 0.00 C ATOM 1273 C MET A 86 -3.158 7.181 1.171 1.00 0.00 C ATOM 1274 O MET A 86 -2.934 7.974 2.094 1.00 0.00 O ATOM 1275 CB MET A 86 -1.743 7.466 -0.968 1.00 0.00 C ATOM 1276 CG MET A 86 -0.347 8.107 -1.086 1.00 0.00 C ATOM 1277 SD MET A 86 -0.502 9.859 -1.498 1.00 0.00 S ATOM 1278 CE MET A 86 -1.516 9.783 -2.989 1.00 0.00 C ATOM 0 H MET A 86 -2.245 5.003 -1.028 1.00 0.00 H new ATOM 0 HA MET A 86 -1.069 6.667 0.887 1.00 0.00 H new ATOM 0 HB2 MET A 86 -1.905 6.831 -1.839 1.00 0.00 H new ATOM 0 HB3 MET A 86 -2.490 8.259 -1.007 1.00 0.00 H new ATOM 0 HG2 MET A 86 0.195 7.993 -0.147 1.00 0.00 H new ATOM 0 HG3 MET A 86 0.233 7.595 -1.853 1.00 0.00 H new ATOM 0 HE1 MET A 86 -1.606 10.781 -3.419 1.00 0.00 H new ATOM 0 HE2 MET A 86 -1.048 9.117 -3.714 1.00 0.00 H new ATOM 0 HE3 MET A 86 -2.507 9.406 -2.736 1.00 0.00 H new ATOM 1288 N LYS A 87 -4.397 6.765 0.849 1.00 0.00 N ATOM 1289 CA LYS A 87 -5.630 7.293 1.491 1.00 0.00 C ATOM 1290 C LYS A 87 -5.458 7.213 3.032 1.00 0.00 C ATOM 1291 O LYS A 87 -5.632 8.214 3.739 1.00 0.00 O ATOM 1292 CB LYS A 87 -6.896 6.502 1.057 1.00 0.00 C ATOM 1293 CG LYS A 87 -7.171 5.193 1.833 1.00 0.00 C ATOM 1294 CD LYS A 87 -8.421 4.413 1.377 1.00 0.00 C ATOM 1295 CE LYS A 87 -9.720 5.242 1.326 1.00 0.00 C ATOM 1296 NZ LYS A 87 -10.888 4.440 1.729 1.00 0.00 N ATOM 0 H LYS A 87 -4.578 6.055 0.139 1.00 0.00 H new ATOM 0 HA LYS A 87 -5.772 8.326 1.173 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -7.763 7.154 1.163 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -6.806 6.262 -0.002 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -6.301 4.543 1.738 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -7.277 5.431 2.891 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -8.232 3.999 0.386 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -8.571 3.570 2.051 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -9.627 6.107 1.983 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -9.870 5.623 0.316 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -11.745 5.028 1.684 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -10.990 3.628 1.087 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -10.755 4.097 2.702 1.00 0.00 H new