USER MOD reduce.3.24.130724 H: found=0, std=0, add=818, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 815 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 23 HIS : no HD1:sc= 0.502 K(o=0.95,f=-10!) USER MOD Set 1.2: A 35 HIS : no HD1:sc= 0.759 K(o=0.95,f=-3.6!) USER MOD Set 1.3: A 113 CYS SG : rot 75:sc= -0.307 USER MOD Set 2.1: A 109 THR OG1 : rot 180:sc= 0.0342 USER MOD Set 2.2: A 112 ASN : amide:sc= 0.742 K(o=0.78,f=-1) USER MOD Single : A 9 LYS NZ :NH3+ -135:sc= 1.19 (180deg=-0.29) USER MOD Single : A 21 TYR OH : rot 180:sc= 0.381 USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ -172:sc= 1.28 (180deg=1.16) USER MOD Single : A 62 LYS NZ :NH3+ -169:sc= 1.25 (180deg=1.12) USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot 90:sc= 2.17 USER MOD Single : A 73 LYS NZ :NH3+ -146:sc= 1.23 (180deg=0.924) USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 75 GLN : amide:sc= 0.952 K(o=0.95,f=0) USER MOD Single : A 77 ASN : amide:sc= 1.11 K(o=1.1,f=-2) USER MOD Single : A 78 ASN : amide:sc= 1.86 K(o=1.9,f=-6.4!) USER MOD Single : A 79 LYS NZ :NH3+ 159:sc= 1.25 (180deg=1.09) USER MOD Single : A 80 HIS : no HD1:sc= -0.0106 X(o=-0.011,f=-0.011) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 SER OG : rot 58:sc= 1.9 USER MOD Single : A 89 CYS SG : rot 180:sc= 0.0409 USER MOD Single : A 90 SER OG : rot 180:sc= 0.0095 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 GLN : amide:sc= 0.299 K(o=0.3,f=-0.92) USER MOD Single : A 102 GLN : amide:sc= 0.623 K(o=0.62,f=0) USER MOD Single : A 106 TYR OH : rot 180:sc= 0 USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 SER OG : rot 180:sc= 0.425 USER MOD Single : A 115 HIS : no HD1:sc= -0.207 X(o=-0.21,f=-0.11) USER MOD Single : A 118 ASN : amide:sc= 0.478 K(o=0.48,f=-0.06) USER MOD Single : A 122 TYR OH : rot 180:sc= 0.55 USER MOD ----------------------------------------------------------------- ATOM 116 N PRO A 8 6.151 -3.967 9.311 1.00 0.00 N ATOM 117 CA PRO A 8 5.488 -5.269 9.296 1.00 0.00 C ATOM 118 C PRO A 8 5.687 -6.055 10.592 1.00 0.00 C ATOM 119 O PRO A 8 6.628 -5.817 11.358 1.00 0.00 O ATOM 120 CB PRO A 8 6.055 -6.039 8.095 1.00 0.00 C ATOM 121 CG PRO A 8 7.352 -5.304 7.766 1.00 0.00 C ATOM 122 CD PRO A 8 7.054 -3.869 8.178 1.00 0.00 C ATOM 0 HA PRO A 8 4.411 -5.128 9.210 1.00 0.00 H new ATOM 0 HB2 PRO A 8 6.240 -7.084 8.342 1.00 0.00 H new ATOM 0 HB3 PRO A 8 5.365 -6.028 7.252 1.00 0.00 H new ATOM 0 HG2 PRO A 8 8.198 -5.714 8.318 1.00 0.00 H new ATOM 0 HG3 PRO A 8 7.598 -5.376 6.706 1.00 0.00 H new ATOM 0 HD2 PRO A 8 7.968 -3.341 8.450 1.00 0.00 H new ATOM 0 HD3 PRO A 8 6.597 -3.313 7.359 1.00 0.00 H new ATOM 130 N LYS A 9 4.816 -7.039 10.809 1.00 0.00 N ATOM 131 CA LYS A 9 4.878 -7.986 11.915 1.00 0.00 C ATOM 132 C LYS A 9 4.623 -9.381 11.345 1.00 0.00 C ATOM 133 O LYS A 9 3.880 -9.501 10.366 1.00 0.00 O ATOM 134 CB LYS A 9 3.806 -7.642 12.970 1.00 0.00 C ATOM 135 CG LYS A 9 3.970 -6.259 13.628 1.00 0.00 C ATOM 136 CD LYS A 9 5.222 -6.154 14.519 1.00 0.00 C ATOM 137 CE LYS A 9 5.667 -4.704 14.754 1.00 0.00 C ATOM 138 NZ LYS A 9 6.127 -4.064 13.499 1.00 0.00 N ATOM 0 H LYS A 9 4.018 -7.203 10.195 1.00 0.00 H new ATOM 0 HA LYS A 9 5.854 -7.943 12.399 1.00 0.00 H new ATOM 0 HB2 LYS A 9 2.824 -7.691 12.500 1.00 0.00 H new ATOM 0 HB3 LYS A 9 3.825 -8.404 13.749 1.00 0.00 H new ATOM 0 HG2 LYS A 9 4.021 -5.498 12.850 1.00 0.00 H new ATOM 0 HG3 LYS A 9 3.086 -6.042 14.228 1.00 0.00 H new ATOM 0 HD2 LYS A 9 5.019 -6.627 15.480 1.00 0.00 H new ATOM 0 HD3 LYS A 9 6.038 -6.709 14.057 1.00 0.00 H new ATOM 0 HE2 LYS A 9 4.839 -4.132 15.172 1.00 0.00 H new ATOM 0 HE3 LYS A 9 6.472 -4.684 15.489 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 7.012 -3.547 13.677 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 6.292 -4.794 12.777 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 5.401 -3.401 13.161 1.00 0.00 H new ATOM 152 N PRO A 10 5.240 -10.441 11.898 1.00 0.00 N ATOM 153 CA PRO A 10 4.892 -11.814 11.560 1.00 0.00 C ATOM 154 C PRO A 10 3.367 -11.995 11.567 1.00 0.00 C ATOM 155 O PRO A 10 2.684 -11.520 12.477 1.00 0.00 O ATOM 156 CB PRO A 10 5.626 -12.675 12.592 1.00 0.00 C ATOM 157 CG PRO A 10 6.867 -11.842 12.905 1.00 0.00 C ATOM 158 CD PRO A 10 6.312 -10.419 12.882 1.00 0.00 C ATOM 0 HA PRO A 10 5.195 -12.104 10.554 1.00 0.00 H new ATOM 0 HB2 PRO A 10 5.019 -12.847 13.481 1.00 0.00 H new ATOM 0 HB3 PRO A 10 5.887 -13.654 12.190 1.00 0.00 H new ATOM 0 HG2 PRO A 10 7.295 -12.097 13.875 1.00 0.00 H new ATOM 0 HG3 PRO A 10 7.652 -11.985 12.162 1.00 0.00 H new ATOM 0 HD2 PRO A 10 5.939 -10.126 13.864 1.00 0.00 H new ATOM 0 HD3 PRO A 10 7.084 -9.700 12.607 1.00 0.00 H new ATOM 166 N GLY A 11 2.840 -12.642 10.528 1.00 0.00 N ATOM 167 CA GLY A 11 1.419 -12.735 10.230 1.00 0.00 C ATOM 168 C GLY A 11 1.002 -11.813 9.077 1.00 0.00 C ATOM 169 O GLY A 11 -0.144 -11.902 8.633 1.00 0.00 O ATOM 0 H GLY A 11 3.418 -13.134 9.846 1.00 0.00 H new ATOM 0 HA2 GLY A 11 1.170 -13.765 9.976 1.00 0.00 H new ATOM 0 HA3 GLY A 11 0.846 -12.480 11.121 1.00 0.00 H new ATOM 173 N ASP A 12 1.869 -10.917 8.587 1.00 0.00 N ATOM 174 CA ASP A 12 1.521 -10.003 7.493 1.00 0.00 C ATOM 175 C ASP A 12 1.803 -10.643 6.136 1.00 0.00 C ATOM 176 O ASP A 12 2.748 -11.425 5.988 1.00 0.00 O ATOM 177 CB ASP A 12 2.266 -8.665 7.616 1.00 0.00 C ATOM 178 CG ASP A 12 1.700 -7.746 8.711 1.00 0.00 C ATOM 179 OD1 ASP A 12 0.487 -7.839 9.024 1.00 0.00 O ATOM 180 OD2 ASP A 12 2.456 -6.878 9.201 1.00 0.00 O ATOM 0 H ASP A 12 2.822 -10.806 8.934 1.00 0.00 H new ATOM 0 HA ASP A 12 0.452 -9.801 7.568 1.00 0.00 H new ATOM 0 HB2 ASP A 12 3.317 -8.862 7.826 1.00 0.00 H new ATOM 0 HB3 ASP A 12 2.224 -8.145 6.659 1.00 0.00 H new ATOM 185 N LEU A 13 0.990 -10.286 5.136 1.00 0.00 N ATOM 186 CA LEU A 13 1.176 -10.700 3.752 1.00 0.00 C ATOM 187 C LEU A 13 2.326 -9.890 3.172 1.00 0.00 C ATOM 188 O LEU A 13 2.390 -8.669 3.344 1.00 0.00 O ATOM 189 CB LEU A 13 -0.062 -10.425 2.870 1.00 0.00 C ATOM 190 CG LEU A 13 -1.329 -11.296 3.018 1.00 0.00 C ATOM 191 CD1 LEU A 13 -2.104 -11.316 1.694 1.00 0.00 C ATOM 192 CD2 LEU A 13 -1.014 -12.733 3.440 1.00 0.00 C ATOM 0 H LEU A 13 0.173 -9.692 5.274 1.00 0.00 H new ATOM 0 HA LEU A 13 1.363 -11.774 3.754 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -0.359 -9.390 3.043 1.00 0.00 H new ATOM 0 HB3 LEU A 13 0.259 -10.495 1.831 1.00 0.00 H new ATOM 0 HG LEU A 13 -1.931 -10.847 3.808 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -2.997 -11.932 1.804 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -2.395 -10.300 1.427 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -1.472 -11.731 0.909 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -1.942 -13.298 3.528 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -0.374 -13.200 2.691 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -0.501 -12.726 4.402 1.00 0.00 H new ATOM 204 N ILE A 14 3.159 -10.559 2.389 1.00 0.00 N ATOM 205 CA ILE A 14 4.229 -9.979 1.608 1.00 0.00 C ATOM 206 C ILE A 14 3.892 -10.286 0.150 1.00 0.00 C ATOM 207 O ILE A 14 3.344 -11.342 -0.178 1.00 0.00 O ATOM 208 CB ILE A 14 5.583 -10.601 2.039 1.00 0.00 C ATOM 209 CG1 ILE A 14 5.879 -10.452 3.550 1.00 0.00 C ATOM 210 CG2 ILE A 14 6.767 -10.072 1.204 1.00 0.00 C ATOM 211 CD1 ILE A 14 6.030 -9.010 4.051 1.00 0.00 C ATOM 0 H ILE A 14 3.100 -11.571 2.279 1.00 0.00 H new ATOM 0 HA ILE A 14 4.323 -8.903 1.754 1.00 0.00 H new ATOM 0 HB ILE A 14 5.474 -11.667 1.839 1.00 0.00 H new ATOM 0 HG12 ILE A 14 5.075 -10.931 4.109 1.00 0.00 H new ATOM 0 HG13 ILE A 14 6.795 -10.996 3.779 1.00 0.00 H new ATOM 0 HG21 ILE A 14 7.691 -10.539 1.546 1.00 0.00 H new ATOM 0 HG22 ILE A 14 6.607 -10.312 0.153 1.00 0.00 H new ATOM 0 HG23 ILE A 14 6.841 -8.991 1.322 1.00 0.00 H new ATOM 0 HD11 ILE A 14 6.235 -9.016 5.121 1.00 0.00 H new ATOM 0 HD12 ILE A 14 6.854 -8.527 3.526 1.00 0.00 H new ATOM 0 HD13 ILE A 14 5.108 -8.461 3.862 1.00 0.00 H new ATOM 223 N GLU A 15 4.250 -9.372 -0.736 1.00 0.00 N ATOM 224 CA GLU A 15 4.256 -9.600 -2.164 1.00 0.00 C ATOM 225 C GLU A 15 5.698 -9.400 -2.606 1.00 0.00 C ATOM 226 O GLU A 15 6.461 -8.664 -1.987 1.00 0.00 O ATOM 227 CB GLU A 15 3.263 -8.700 -2.904 1.00 0.00 C ATOM 228 CG GLU A 15 3.608 -7.216 -2.787 1.00 0.00 C ATOM 229 CD GLU A 15 2.744 -6.385 -3.728 1.00 0.00 C ATOM 230 OE1 GLU A 15 1.554 -6.143 -3.440 1.00 0.00 O ATOM 231 OE2 GLU A 15 3.257 -5.984 -4.796 1.00 0.00 O ATOM 0 H GLU A 15 4.550 -8.433 -0.473 1.00 0.00 H new ATOM 0 HA GLU A 15 3.917 -10.607 -2.409 1.00 0.00 H new ATOM 0 HB2 GLU A 15 3.240 -8.981 -3.957 1.00 0.00 H new ATOM 0 HB3 GLU A 15 2.262 -8.868 -2.507 1.00 0.00 H new ATOM 0 HG2 GLU A 15 3.459 -6.883 -1.760 1.00 0.00 H new ATOM 0 HG3 GLU A 15 4.661 -7.063 -3.022 1.00 0.00 H new ATOM 238 N ILE A 16 6.053 -10.061 -3.687 1.00 0.00 N ATOM 239 CA ILE A 16 7.387 -10.255 -4.204 1.00 0.00 C ATOM 240 C ILE A 16 7.275 -9.841 -5.663 1.00 0.00 C ATOM 241 O ILE A 16 6.699 -10.575 -6.463 1.00 0.00 O ATOM 242 CB ILE A 16 7.748 -11.751 -4.053 1.00 0.00 C ATOM 243 CG1 ILE A 16 7.671 -12.297 -2.610 1.00 0.00 C ATOM 244 CG2 ILE A 16 9.104 -12.070 -4.705 1.00 0.00 C ATOM 245 CD1 ILE A 16 8.688 -11.683 -1.650 1.00 0.00 C ATOM 0 H ILE A 16 5.354 -10.514 -4.275 1.00 0.00 H new ATOM 0 HA ILE A 16 8.163 -9.685 -3.693 1.00 0.00 H new ATOM 0 HB ILE A 16 6.965 -12.283 -4.593 1.00 0.00 H new ATOM 0 HG12 ILE A 16 6.668 -12.120 -2.220 1.00 0.00 H new ATOM 0 HG13 ILE A 16 7.818 -13.377 -2.634 1.00 0.00 H new ATOM 0 HG21 ILE A 16 9.327 -13.130 -4.581 1.00 0.00 H new ATOM 0 HG22 ILE A 16 9.062 -11.830 -5.767 1.00 0.00 H new ATOM 0 HG23 ILE A 16 9.885 -11.477 -4.230 1.00 0.00 H new ATOM 0 HD11 ILE A 16 8.565 -12.122 -0.660 1.00 0.00 H new ATOM 0 HD12 ILE A 16 9.697 -11.882 -2.012 1.00 0.00 H new ATOM 0 HD13 ILE A 16 8.529 -10.606 -1.592 1.00 0.00 H new ATOM 257 N PHE A 17 7.750 -8.657 -6.022 1.00 0.00 N ATOM 258 CA PHE A 17 7.815 -8.316 -7.437 1.00 0.00 C ATOM 259 C PHE A 17 8.904 -9.165 -8.093 1.00 0.00 C ATOM 260 O PHE A 17 9.970 -9.394 -7.513 1.00 0.00 O ATOM 261 CB PHE A 17 7.999 -6.808 -7.647 1.00 0.00 C ATOM 262 CG PHE A 17 6.731 -6.163 -8.172 1.00 0.00 C ATOM 263 CD1 PHE A 17 6.472 -6.161 -9.557 1.00 0.00 C ATOM 264 CD2 PHE A 17 5.772 -5.637 -7.282 1.00 0.00 C ATOM 265 CE1 PHE A 17 5.270 -5.624 -10.051 1.00 0.00 C ATOM 266 CE2 PHE A 17 4.572 -5.099 -7.780 1.00 0.00 C ATOM 267 CZ PHE A 17 4.320 -5.091 -9.163 1.00 0.00 C ATOM 0 H PHE A 17 8.085 -7.939 -5.380 1.00 0.00 H new ATOM 0 HA PHE A 17 6.868 -8.549 -7.924 1.00 0.00 H new ATOM 0 HB2 PHE A 17 8.284 -6.340 -6.705 1.00 0.00 H new ATOM 0 HB3 PHE A 17 8.815 -6.634 -8.349 1.00 0.00 H new ATOM 0 HD1 PHE A 17 7.199 -6.573 -10.241 1.00 0.00 H new ATOM 0 HD2 PHE A 17 5.959 -5.647 -6.218 1.00 0.00 H new ATOM 0 HE1 PHE A 17 5.077 -5.621 -11.114 1.00 0.00 H new ATOM 0 HE2 PHE A 17 3.841 -4.691 -7.098 1.00 0.00 H new ATOM 0 HZ PHE A 17 3.398 -4.676 -9.542 1.00 0.00 H new ATOM 277 N ARG A 18 8.631 -9.634 -9.310 1.00 0.00 N ATOM 278 CA ARG A 18 9.525 -10.440 -10.135 1.00 0.00 C ATOM 279 C ARG A 18 9.832 -9.634 -11.410 1.00 0.00 C ATOM 280 O ARG A 18 9.181 -8.614 -11.643 1.00 0.00 O ATOM 281 CB ARG A 18 8.823 -11.788 -10.416 1.00 0.00 C ATOM 282 CG ARG A 18 8.664 -12.683 -9.167 1.00 0.00 C ATOM 283 CD ARG A 18 9.452 -13.995 -9.307 1.00 0.00 C ATOM 284 NE ARG A 18 9.719 -14.619 -8.002 1.00 0.00 N ATOM 285 CZ ARG A 18 9.155 -15.705 -7.467 1.00 0.00 C ATOM 286 NH1 ARG A 18 8.192 -16.370 -8.099 1.00 0.00 N ATOM 287 NH2 ARG A 18 9.580 -16.110 -6.274 1.00 0.00 N ATOM 0 H ARG A 18 7.738 -9.453 -9.768 1.00 0.00 H new ATOM 0 HA ARG A 18 10.474 -10.663 -9.648 1.00 0.00 H new ATOM 0 HB2 ARG A 18 7.837 -11.592 -10.838 1.00 0.00 H new ATOM 0 HB3 ARG A 18 9.391 -12.332 -11.171 1.00 0.00 H new ATOM 0 HG2 ARG A 18 9.009 -12.143 -8.285 1.00 0.00 H new ATOM 0 HG3 ARG A 18 7.609 -12.907 -9.011 1.00 0.00 H new ATOM 0 HD2 ARG A 18 8.892 -14.689 -9.933 1.00 0.00 H new ATOM 0 HD3 ARG A 18 10.396 -13.798 -9.815 1.00 0.00 H new ATOM 0 HE ARG A 18 10.429 -14.162 -7.430 1.00 0.00 H new ATOM 0 HH11 ARG A 18 7.869 -16.053 -9.013 1.00 0.00 H new ATOM 0 HH12 ARG A 18 7.777 -17.197 -7.670 1.00 0.00 H new ATOM 0 HH21 ARG A 18 10.317 -15.595 -5.793 1.00 0.00 H new ATOM 0 HH22 ARG A 18 9.169 -16.936 -5.839 1.00 0.00 H new ATOM 301 N PRO A 19 10.801 -10.047 -12.250 1.00 0.00 N ATOM 302 CA PRO A 19 11.236 -9.266 -13.409 1.00 0.00 C ATOM 303 C PRO A 19 10.128 -8.846 -14.388 1.00 0.00 C ATOM 304 O PRO A 19 10.273 -7.817 -15.051 1.00 0.00 O ATOM 305 CB PRO A 19 12.301 -10.120 -14.105 1.00 0.00 C ATOM 306 CG PRO A 19 12.900 -10.923 -12.955 1.00 0.00 C ATOM 307 CD PRO A 19 11.686 -11.192 -12.068 1.00 0.00 C ATOM 0 HA PRO A 19 11.615 -8.306 -13.058 1.00 0.00 H new ATOM 0 HB2 PRO A 19 11.865 -10.768 -14.866 1.00 0.00 H new ATOM 0 HB3 PRO A 19 13.051 -9.505 -14.602 1.00 0.00 H new ATOM 0 HG2 PRO A 19 13.360 -11.848 -13.303 1.00 0.00 H new ATOM 0 HG3 PRO A 19 13.671 -10.362 -12.427 1.00 0.00 H new ATOM 0 HD2 PRO A 19 11.190 -12.119 -12.354 1.00 0.00 H new ATOM 0 HD3 PRO A 19 11.980 -11.297 -11.024 1.00 0.00 H new ATOM 315 N PHE A 20 9.038 -9.618 -14.491 1.00 0.00 N ATOM 316 CA PHE A 20 7.954 -9.373 -15.450 1.00 0.00 C ATOM 317 C PHE A 20 6.557 -9.675 -14.868 1.00 0.00 C ATOM 318 O PHE A 20 5.561 -9.599 -15.590 1.00 0.00 O ATOM 319 CB PHE A 20 8.248 -10.199 -16.718 1.00 0.00 C ATOM 320 CG PHE A 20 7.458 -9.802 -17.955 1.00 0.00 C ATOM 321 CD1 PHE A 20 7.705 -8.563 -18.578 1.00 0.00 C ATOM 322 CD2 PHE A 20 6.492 -10.673 -18.497 1.00 0.00 C ATOM 323 CE1 PHE A 20 6.984 -8.193 -19.728 1.00 0.00 C ATOM 324 CE2 PHE A 20 5.772 -10.302 -19.647 1.00 0.00 C ATOM 325 CZ PHE A 20 6.017 -9.062 -20.263 1.00 0.00 C ATOM 0 H PHE A 20 8.883 -10.438 -13.905 1.00 0.00 H new ATOM 0 HA PHE A 20 7.926 -8.311 -15.696 1.00 0.00 H new ATOM 0 HB2 PHE A 20 9.311 -10.118 -16.945 1.00 0.00 H new ATOM 0 HB3 PHE A 20 8.048 -11.248 -16.502 1.00 0.00 H new ATOM 0 HD1 PHE A 20 8.450 -7.895 -18.172 1.00 0.00 H new ATOM 0 HD2 PHE A 20 6.304 -11.628 -18.028 1.00 0.00 H new ATOM 0 HE1 PHE A 20 7.174 -7.240 -20.200 1.00 0.00 H new ATOM 0 HE2 PHE A 20 5.030 -10.971 -20.057 1.00 0.00 H new ATOM 0 HZ PHE A 20 5.463 -8.778 -21.146 1.00 0.00 H new ATOM 335 N TYR A 21 6.459 -10.025 -13.579 1.00 0.00 N ATOM 336 CA TYR A 21 5.209 -10.374 -12.897 1.00 0.00 C ATOM 337 C TYR A 21 5.417 -10.206 -11.383 1.00 0.00 C ATOM 338 O TYR A 21 6.294 -9.442 -10.973 1.00 0.00 O ATOM 339 CB TYR A 21 4.704 -11.774 -13.323 1.00 0.00 C ATOM 340 CG TYR A 21 5.334 -12.997 -12.671 1.00 0.00 C ATOM 341 CD1 TYR A 21 6.724 -13.215 -12.723 1.00 0.00 C ATOM 342 CD2 TYR A 21 4.509 -13.940 -12.025 1.00 0.00 C ATOM 343 CE1 TYR A 21 7.285 -14.359 -12.126 1.00 0.00 C ATOM 344 CE2 TYR A 21 5.064 -15.076 -11.412 1.00 0.00 C ATOM 345 CZ TYR A 21 6.459 -15.287 -11.454 1.00 0.00 C ATOM 346 OH TYR A 21 7.013 -16.372 -10.841 1.00 0.00 O ATOM 0 H TYR A 21 7.272 -10.074 -12.965 1.00 0.00 H new ATOM 0 HA TYR A 21 4.407 -9.698 -13.193 1.00 0.00 H new ATOM 0 HB2 TYR A 21 3.631 -11.812 -13.134 1.00 0.00 H new ATOM 0 HB3 TYR A 21 4.842 -11.864 -14.401 1.00 0.00 H new ATOM 0 HD1 TYR A 21 7.362 -12.501 -13.223 1.00 0.00 H new ATOM 0 HD2 TYR A 21 3.440 -13.788 -12.001 1.00 0.00 H new ATOM 0 HE1 TYR A 21 8.350 -14.528 -12.182 1.00 0.00 H new ATOM 0 HE2 TYR A 21 4.424 -15.786 -10.910 1.00 0.00 H new ATOM 0 HH TYR A 21 6.307 -16.909 -10.425 1.00 0.00 H new ATOM 356 N ARG A 22 4.647 -10.891 -10.533 1.00 0.00 N ATOM 357 CA ARG A 22 4.806 -10.836 -9.082 1.00 0.00 C ATOM 358 C ARG A 22 4.387 -12.156 -8.442 1.00 0.00 C ATOM 359 O ARG A 22 3.785 -13.009 -9.093 1.00 0.00 O ATOM 360 CB ARG A 22 4.007 -9.657 -8.497 1.00 0.00 C ATOM 361 CG ARG A 22 2.485 -9.793 -8.679 1.00 0.00 C ATOM 362 CD ARG A 22 1.782 -9.760 -7.319 1.00 0.00 C ATOM 363 NE ARG A 22 1.793 -8.398 -6.740 1.00 0.00 N ATOM 364 CZ ARG A 22 0.953 -7.404 -7.067 1.00 0.00 C ATOM 365 NH1 ARG A 22 -0.036 -7.600 -7.940 1.00 0.00 N ATOM 366 NH2 ARG A 22 1.106 -6.205 -6.522 1.00 0.00 N ATOM 0 H ARG A 22 3.890 -11.503 -10.838 1.00 0.00 H new ATOM 0 HA ARG A 22 5.860 -10.676 -8.856 1.00 0.00 H new ATOM 0 HB2 ARG A 22 4.231 -9.569 -7.434 1.00 0.00 H new ATOM 0 HB3 ARG A 22 4.340 -8.733 -8.970 1.00 0.00 H new ATOM 0 HG2 ARG A 22 2.113 -8.984 -9.308 1.00 0.00 H new ATOM 0 HG3 ARG A 22 2.255 -10.727 -9.192 1.00 0.00 H new ATOM 0 HD2 ARG A 22 0.753 -10.101 -7.431 1.00 0.00 H new ATOM 0 HD3 ARG A 22 2.275 -10.452 -6.636 1.00 0.00 H new ATOM 0 HE ARG A 22 2.499 -8.198 -6.032 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -0.163 -8.516 -8.370 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -0.666 -6.834 -8.178 1.00 0.00 H new ATOM 0 HH21 ARG A 22 1.861 -6.040 -5.856 1.00 0.00 H new ATOM 0 HH22 ARG A 22 0.469 -5.448 -6.769 1.00 0.00 H new ATOM 380 N HIS A 23 4.682 -12.292 -7.156 1.00 0.00 N ATOM 381 CA HIS A 23 4.482 -13.480 -6.350 1.00 0.00 C ATOM 382 C HIS A 23 4.083 -13.068 -4.928 1.00 0.00 C ATOM 383 O HIS A 23 4.093 -11.875 -4.611 1.00 0.00 O ATOM 384 CB HIS A 23 5.794 -14.288 -6.411 1.00 0.00 C ATOM 385 CG HIS A 23 5.840 -15.503 -5.531 1.00 0.00 C ATOM 386 ND1 HIS A 23 4.876 -16.508 -5.506 1.00 0.00 N ATOM 387 CD2 HIS A 23 6.814 -15.784 -4.618 1.00 0.00 C ATOM 388 CE1 HIS A 23 5.310 -17.388 -4.588 1.00 0.00 C ATOM 389 NE2 HIS A 23 6.469 -16.982 -4.045 1.00 0.00 N ATOM 0 H HIS A 23 5.092 -11.527 -6.619 1.00 0.00 H new ATOM 0 HA HIS A 23 3.671 -14.108 -6.719 1.00 0.00 H new ATOM 0 HB2 HIS A 23 5.962 -14.600 -7.442 1.00 0.00 H new ATOM 0 HB3 HIS A 23 6.619 -13.631 -6.138 1.00 0.00 H new ATOM 0 HD2 HIS A 23 7.683 -15.184 -4.392 1.00 0.00 H new ATOM 0 HE1 HIS A 23 4.796 -18.300 -4.322 1.00 0.00 H new ATOM 0 HE2 HIS A 23 7.001 -17.478 -3.330 1.00 0.00 H new ATOM 397 N TRP A 24 3.706 -14.027 -4.077 1.00 0.00 N ATOM 398 CA TRP A 24 3.099 -13.776 -2.774 1.00 0.00 C ATOM 399 C TRP A 24 3.685 -14.698 -1.716 1.00 0.00 C ATOM 400 O TRP A 24 4.023 -15.848 -2.000 1.00 0.00 O ATOM 401 CB TRP A 24 1.585 -13.980 -2.859 1.00 0.00 C ATOM 402 CG TRP A 24 0.903 -13.015 -3.764 1.00 0.00 C ATOM 403 CD1 TRP A 24 0.730 -13.140 -5.096 1.00 0.00 C ATOM 404 CD2 TRP A 24 0.380 -11.708 -3.415 1.00 0.00 C ATOM 405 NE1 TRP A 24 0.174 -11.987 -5.601 1.00 0.00 N ATOM 406 CE2 TRP A 24 -0.061 -11.058 -4.605 1.00 0.00 C ATOM 407 CE3 TRP A 24 0.270 -11.006 -2.199 1.00 0.00 C ATOM 408 CZ2 TRP A 24 -0.565 -9.749 -4.584 1.00 0.00 C ATOM 409 CZ3 TRP A 24 -0.244 -9.700 -2.164 1.00 0.00 C ATOM 410 CH2 TRP A 24 -0.640 -9.065 -3.357 1.00 0.00 C ATOM 0 H TRP A 24 3.818 -15.020 -4.283 1.00 0.00 H new ATOM 0 HA TRP A 24 3.312 -12.746 -2.488 1.00 0.00 H new ATOM 0 HB2 TRP A 24 1.382 -14.994 -3.204 1.00 0.00 H new ATOM 0 HB3 TRP A 24 1.158 -13.892 -1.860 1.00 0.00 H new ATOM 0 HD1 TRP A 24 0.989 -14.012 -5.678 1.00 0.00 H new ATOM 0 HE1 TRP A 24 -0.038 -11.837 -6.587 1.00 0.00 H new ATOM 0 HE3 TRP A 24 0.585 -11.479 -1.281 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 -0.891 -9.273 -5.497 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 -0.336 -9.182 -1.221 1.00 0.00 H new ATOM 0 HH2 TRP A 24 -1.003 -8.048 -3.330 1.00 0.00 H new ATOM 421 N ALA A 25 3.774 -14.183 -0.491 1.00 0.00 N ATOM 422 CA ALA A 25 4.399 -14.829 0.650 1.00 0.00 C ATOM 423 C ALA A 25 3.760 -14.292 1.936 1.00 0.00 C ATOM 424 O ALA A 25 2.964 -13.352 1.896 1.00 0.00 O ATOM 425 CB ALA A 25 5.905 -14.525 0.607 1.00 0.00 C ATOM 0 H ALA A 25 3.395 -13.264 -0.262 1.00 0.00 H new ATOM 0 HA ALA A 25 4.255 -15.909 0.622 1.00 0.00 H new ATOM 0 HB1 ALA A 25 6.397 -15.001 1.456 1.00 0.00 H new ATOM 0 HB2 ALA A 25 6.328 -14.911 -0.320 1.00 0.00 H new ATOM 0 HB3 ALA A 25 6.060 -13.447 0.655 1.00 0.00 H new ATOM 431 N ILE A 26 4.109 -14.855 3.088 1.00 0.00 N ATOM 432 CA ILE A 26 3.611 -14.422 4.384 1.00 0.00 C ATOM 433 C ILE A 26 4.763 -14.452 5.372 1.00 0.00 C ATOM 434 O ILE A 26 5.543 -15.401 5.381 1.00 0.00 O ATOM 435 CB ILE A 26 2.428 -15.320 4.774 1.00 0.00 C ATOM 436 CG1 ILE A 26 1.630 -14.742 5.950 1.00 0.00 C ATOM 437 CG2 ILE A 26 2.789 -16.802 4.959 1.00 0.00 C ATOM 438 CD1 ILE A 26 0.269 -15.431 6.049 1.00 0.00 C ATOM 0 H ILE A 26 4.758 -15.640 3.146 1.00 0.00 H new ATOM 0 HA ILE A 26 3.236 -13.399 4.368 1.00 0.00 H new ATOM 0 HB ILE A 26 1.765 -15.316 3.909 1.00 0.00 H new ATOM 0 HG12 ILE A 26 2.184 -14.879 6.878 1.00 0.00 H new ATOM 0 HG13 ILE A 26 1.494 -13.669 5.815 1.00 0.00 H new ATOM 0 HG21 ILE A 26 1.895 -17.363 5.233 1.00 0.00 H new ATOM 0 HG22 ILE A 26 3.193 -17.197 4.027 1.00 0.00 H new ATOM 0 HG23 ILE A 26 3.535 -16.899 5.748 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -0.290 -15.014 6.887 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -0.288 -15.271 5.126 1.00 0.00 H new ATOM 0 HD13 ILE A 26 0.413 -16.500 6.205 1.00 0.00 H new ATOM 450 N TYR A 27 4.904 -13.392 6.157 1.00 0.00 N ATOM 451 CA TYR A 27 5.985 -13.211 7.108 1.00 0.00 C ATOM 452 C TYR A 27 5.680 -14.081 8.329 1.00 0.00 C ATOM 453 O TYR A 27 4.555 -14.048 8.827 1.00 0.00 O ATOM 454 CB TYR A 27 6.034 -11.703 7.413 1.00 0.00 C ATOM 455 CG TYR A 27 7.305 -11.137 8.018 1.00 0.00 C ATOM 456 CD1 TYR A 27 8.576 -11.495 7.524 1.00 0.00 C ATOM 457 CD2 TYR A 27 7.198 -10.135 8.998 1.00 0.00 C ATOM 458 CE1 TYR A 27 9.732 -10.885 8.039 1.00 0.00 C ATOM 459 CE2 TYR A 27 8.349 -9.531 9.535 1.00 0.00 C ATOM 460 CZ TYR A 27 9.627 -9.914 9.062 1.00 0.00 C ATOM 461 OH TYR A 27 10.759 -9.346 9.567 1.00 0.00 O ATOM 0 H TYR A 27 4.247 -12.612 6.147 1.00 0.00 H new ATOM 0 HA TYR A 27 6.965 -13.518 6.742 1.00 0.00 H new ATOM 0 HB2 TYR A 27 5.841 -11.168 6.483 1.00 0.00 H new ATOM 0 HB3 TYR A 27 5.211 -11.473 8.090 1.00 0.00 H new ATOM 0 HD1 TYR A 27 8.661 -12.241 6.747 1.00 0.00 H new ATOM 0 HD2 TYR A 27 6.222 -9.826 9.342 1.00 0.00 H new ATOM 0 HE1 TYR A 27 10.703 -11.158 7.653 1.00 0.00 H new ATOM 0 HE2 TYR A 27 8.258 -8.779 10.304 1.00 0.00 H new ATOM 0 HH TYR A 27 10.518 -8.698 10.262 1.00 0.00 H new ATOM 471 N VAL A 28 6.648 -14.861 8.814 1.00 0.00 N ATOM 472 CA VAL A 28 6.425 -15.856 9.879 1.00 0.00 C ATOM 473 C VAL A 28 7.438 -15.751 11.026 1.00 0.00 C ATOM 474 O VAL A 28 7.312 -16.451 12.031 1.00 0.00 O ATOM 475 CB VAL A 28 6.379 -17.287 9.299 1.00 0.00 C ATOM 476 CG1 VAL A 28 5.160 -17.482 8.388 1.00 0.00 C ATOM 477 CG2 VAL A 28 7.664 -17.671 8.550 1.00 0.00 C ATOM 0 H VAL A 28 7.612 -14.825 8.483 1.00 0.00 H new ATOM 0 HA VAL A 28 5.452 -15.628 10.315 1.00 0.00 H new ATOM 0 HB VAL A 28 6.292 -17.954 10.156 1.00 0.00 H new ATOM 0 HG11 VAL A 28 5.157 -18.499 7.996 1.00 0.00 H new ATOM 0 HG12 VAL A 28 4.248 -17.311 8.959 1.00 0.00 H new ATOM 0 HG13 VAL A 28 5.208 -16.775 7.560 1.00 0.00 H new ATOM 0 HG21 VAL A 28 7.571 -18.687 8.166 1.00 0.00 H new ATOM 0 HG22 VAL A 28 7.821 -16.982 7.720 1.00 0.00 H new ATOM 0 HG23 VAL A 28 8.513 -17.617 9.232 1.00 0.00 H new ATOM 487 N GLY A 29 8.421 -14.864 10.910 1.00 0.00 N ATOM 488 CA GLY A 29 9.419 -14.591 11.929 1.00 0.00 C ATOM 489 C GLY A 29 10.152 -13.324 11.524 1.00 0.00 C ATOM 490 O GLY A 29 9.876 -12.777 10.456 1.00 0.00 O ATOM 0 H GLY A 29 8.546 -14.297 10.072 1.00 0.00 H new ATOM 0 HA2 GLY A 29 8.947 -14.466 12.904 1.00 0.00 H new ATOM 0 HA3 GLY A 29 10.115 -15.425 12.017 1.00 0.00 H new ATOM 494 N ASP A 30 11.081 -12.854 12.352 1.00 0.00 N ATOM 495 CA ASP A 30 11.818 -11.602 12.150 1.00 0.00 C ATOM 496 C ASP A 30 12.910 -11.757 11.072 1.00 0.00 C ATOM 497 O ASP A 30 14.097 -11.530 11.319 1.00 0.00 O ATOM 498 CB ASP A 30 12.372 -11.112 13.498 1.00 0.00 C ATOM 499 CG ASP A 30 13.084 -9.750 13.386 1.00 0.00 C ATOM 500 OD1 ASP A 30 12.538 -8.819 12.754 1.00 0.00 O ATOM 501 OD2 ASP A 30 14.169 -9.582 13.989 1.00 0.00 O ATOM 0 H ASP A 30 11.352 -13.343 13.205 1.00 0.00 H new ATOM 0 HA ASP A 30 11.138 -10.839 11.771 1.00 0.00 H new ATOM 0 HB2 ASP A 30 11.555 -11.033 14.215 1.00 0.00 H new ATOM 0 HB3 ASP A 30 13.070 -11.852 13.890 1.00 0.00 H new ATOM 506 N GLY A 31 12.525 -12.237 9.886 1.00 0.00 N ATOM 507 CA GLY A 31 13.407 -12.434 8.744 1.00 0.00 C ATOM 508 C GLY A 31 12.915 -13.486 7.750 1.00 0.00 C ATOM 509 O GLY A 31 13.451 -13.538 6.647 1.00 0.00 O ATOM 0 H GLY A 31 11.560 -12.506 9.694 1.00 0.00 H new ATOM 0 HA2 GLY A 31 13.526 -11.484 8.222 1.00 0.00 H new ATOM 0 HA3 GLY A 31 14.393 -12.725 9.106 1.00 0.00 H new ATOM 513 N TYR A 32 11.919 -14.315 8.087 1.00 0.00 N ATOM 514 CA TYR A 32 11.533 -15.477 7.280 1.00 0.00 C ATOM 515 C TYR A 32 10.094 -15.377 6.796 1.00 0.00 C ATOM 516 O TYR A 32 9.246 -14.745 7.433 1.00 0.00 O ATOM 517 CB TYR A 32 11.727 -16.774 8.078 1.00 0.00 C ATOM 518 CG TYR A 32 13.174 -17.200 8.208 1.00 0.00 C ATOM 519 CD1 TYR A 32 13.988 -16.629 9.204 1.00 0.00 C ATOM 520 CD2 TYR A 32 13.709 -18.155 7.321 1.00 0.00 C ATOM 521 CE1 TYR A 32 15.336 -17.012 9.318 1.00 0.00 C ATOM 522 CE2 TYR A 32 15.057 -18.541 7.428 1.00 0.00 C ATOM 523 CZ TYR A 32 15.878 -17.970 8.430 1.00 0.00 C ATOM 524 OH TYR A 32 17.187 -18.331 8.547 1.00 0.00 O ATOM 0 H TYR A 32 11.357 -14.197 8.930 1.00 0.00 H new ATOM 0 HA TYR A 32 12.181 -15.492 6.404 1.00 0.00 H new ATOM 0 HB2 TYR A 32 11.305 -16.643 9.075 1.00 0.00 H new ATOM 0 HB3 TYR A 32 11.164 -17.574 7.596 1.00 0.00 H new ATOM 0 HD1 TYR A 32 13.577 -15.896 9.882 1.00 0.00 H new ATOM 0 HD2 TYR A 32 13.082 -18.592 6.557 1.00 0.00 H new ATOM 0 HE1 TYR A 32 15.958 -16.574 10.085 1.00 0.00 H new ATOM 0 HE2 TYR A 32 15.466 -19.272 6.746 1.00 0.00 H new ATOM 0 HH TYR A 32 17.404 -18.999 7.864 1.00 0.00 H new ATOM 534 N VAL A 33 9.818 -16.069 5.693 1.00 0.00 N ATOM 535 CA VAL A 33 8.515 -16.126 5.053 1.00 0.00 C ATOM 536 C VAL A 33 8.154 -17.562 4.681 1.00 0.00 C ATOM 537 O VAL A 33 9.030 -18.399 4.463 1.00 0.00 O ATOM 538 CB VAL A 33 8.475 -15.243 3.785 1.00 0.00 C ATOM 539 CG1 VAL A 33 8.468 -13.748 4.111 1.00 0.00 C ATOM 540 CG2 VAL A 33 9.620 -15.537 2.801 1.00 0.00 C ATOM 0 H VAL A 33 10.523 -16.623 5.207 1.00 0.00 H new ATOM 0 HA VAL A 33 7.786 -15.747 5.769 1.00 0.00 H new ATOM 0 HB VAL A 33 7.534 -15.507 3.301 1.00 0.00 H new ATOM 0 HG11 VAL A 33 8.440 -13.174 3.185 1.00 0.00 H new ATOM 0 HG12 VAL A 33 7.590 -13.511 4.712 1.00 0.00 H new ATOM 0 HG13 VAL A 33 9.369 -13.493 4.668 1.00 0.00 H new ATOM 0 HG21 VAL A 33 9.532 -14.882 1.934 1.00 0.00 H new ATOM 0 HG22 VAL A 33 10.577 -15.361 3.293 1.00 0.00 H new ATOM 0 HG23 VAL A 33 9.564 -16.577 2.478 1.00 0.00 H new ATOM 550 N VAL A 34 6.856 -17.818 4.561 1.00 0.00 N ATOM 551 CA VAL A 34 6.280 -19.009 3.960 1.00 0.00 C ATOM 552 C VAL A 34 5.706 -18.545 2.624 1.00 0.00 C ATOM 553 O VAL A 34 5.195 -17.426 2.523 1.00 0.00 O ATOM 554 CB VAL A 34 5.228 -19.605 4.914 1.00 0.00 C ATOM 555 CG1 VAL A 34 4.240 -20.563 4.235 1.00 0.00 C ATOM 556 CG2 VAL A 34 5.950 -20.314 6.062 1.00 0.00 C ATOM 0 H VAL A 34 6.146 -17.168 4.897 1.00 0.00 H new ATOM 0 HA VAL A 34 7.000 -19.809 3.789 1.00 0.00 H new ATOM 0 HB VAL A 34 4.624 -18.776 5.283 1.00 0.00 H new ATOM 0 HG11 VAL A 34 3.532 -20.939 4.974 1.00 0.00 H new ATOM 0 HG12 VAL A 34 3.699 -20.032 3.451 1.00 0.00 H new ATOM 0 HG13 VAL A 34 4.786 -21.398 3.797 1.00 0.00 H new ATOM 0 HG21 VAL A 34 5.216 -20.741 6.745 1.00 0.00 H new ATOM 0 HG22 VAL A 34 6.578 -21.110 5.661 1.00 0.00 H new ATOM 0 HG23 VAL A 34 6.571 -19.597 6.599 1.00 0.00 H new ATOM 566 N HIS A 35 5.806 -19.369 1.585 1.00 0.00 N ATOM 567 CA HIS A 35 5.345 -19.027 0.243 1.00 0.00 C ATOM 568 C HIS A 35 5.221 -20.285 -0.610 1.00 0.00 C ATOM 569 O HIS A 35 5.650 -21.363 -0.193 1.00 0.00 O ATOM 570 CB HIS A 35 6.311 -18.015 -0.407 1.00 0.00 C ATOM 571 CG HIS A 35 7.667 -18.526 -0.845 1.00 0.00 C ATOM 572 ND1 HIS A 35 8.365 -18.039 -1.954 1.00 0.00 N ATOM 573 CD2 HIS A 35 8.438 -19.468 -0.220 1.00 0.00 C ATOM 574 CE1 HIS A 35 9.527 -18.712 -1.980 1.00 0.00 C ATOM 575 NE2 HIS A 35 9.598 -19.574 -0.951 1.00 0.00 N ATOM 0 H HIS A 35 6.213 -20.302 1.652 1.00 0.00 H new ATOM 0 HA HIS A 35 4.360 -18.566 0.313 1.00 0.00 H new ATOM 0 HB2 HIS A 35 5.815 -17.588 -1.279 1.00 0.00 H new ATOM 0 HB3 HIS A 35 6.471 -17.201 0.300 1.00 0.00 H new ATOM 0 HD2 HIS A 35 8.185 -20.020 0.673 1.00 0.00 H new ATOM 0 HE1 HIS A 35 10.298 -18.579 -2.725 1.00 0.00 H new ATOM 0 HE2 HIS A 35 10.378 -20.199 -0.747 1.00 0.00 H new ATOM 583 N LEU A 36 4.641 -20.160 -1.806 1.00 0.00 N ATOM 584 CA LEU A 36 4.689 -21.235 -2.793 1.00 0.00 C ATOM 585 C LEU A 36 6.034 -21.127 -3.512 1.00 0.00 C ATOM 586 O LEU A 36 6.541 -20.027 -3.727 1.00 0.00 O ATOM 587 CB LEU A 36 3.547 -21.126 -3.824 1.00 0.00 C ATOM 588 CG LEU A 36 2.180 -21.727 -3.447 1.00 0.00 C ATOM 589 CD1 LEU A 36 2.257 -23.233 -3.176 1.00 0.00 C ATOM 590 CD2 LEU A 36 1.560 -21.034 -2.235 1.00 0.00 C ATOM 0 H LEU A 36 4.136 -19.328 -2.111 1.00 0.00 H new ATOM 0 HA LEU A 36 4.573 -22.194 -2.287 1.00 0.00 H new ATOM 0 HB2 LEU A 36 3.398 -20.070 -4.049 1.00 0.00 H new ATOM 0 HB3 LEU A 36 3.881 -21.604 -4.745 1.00 0.00 H new ATOM 0 HG LEU A 36 1.543 -21.560 -4.316 1.00 0.00 H new ATOM 0 HD11 LEU A 36 1.267 -23.607 -2.915 1.00 0.00 H new ATOM 0 HD12 LEU A 36 2.614 -23.746 -4.069 1.00 0.00 H new ATOM 0 HD13 LEU A 36 2.945 -23.420 -2.351 1.00 0.00 H new ATOM 0 HD21 LEU A 36 0.597 -21.492 -2.007 1.00 0.00 H new ATOM 0 HD22 LEU A 36 2.224 -21.139 -1.377 1.00 0.00 H new ATOM 0 HD23 LEU A 36 1.416 -19.976 -2.455 1.00 0.00 H new ATOM 602 N ALA A 37 6.578 -22.259 -3.944 1.00 0.00 N ATOM 603 CA ALA A 37 7.830 -22.367 -4.677 1.00 0.00 C ATOM 604 C ALA A 37 7.667 -23.433 -5.768 1.00 0.00 C ATOM 605 O ALA A 37 6.773 -24.278 -5.649 1.00 0.00 O ATOM 606 CB ALA A 37 8.938 -22.765 -3.695 1.00 0.00 C ATOM 0 H ALA A 37 6.138 -23.165 -3.785 1.00 0.00 H new ATOM 0 HA ALA A 37 8.093 -21.418 -5.144 1.00 0.00 H new ATOM 0 HB1 ALA A 37 9.884 -22.850 -4.229 1.00 0.00 H new ATOM 0 HB2 ALA A 37 9.027 -22.005 -2.919 1.00 0.00 H new ATOM 0 HB3 ALA A 37 8.692 -23.723 -3.238 1.00 0.00 H new ATOM 612 N PRO A 38 8.496 -23.430 -6.828 1.00 0.00 N ATOM 613 CA PRO A 38 8.548 -24.542 -7.773 1.00 0.00 C ATOM 614 C PRO A 38 8.863 -25.857 -7.038 1.00 0.00 C ATOM 615 O PRO A 38 9.484 -25.809 -5.970 1.00 0.00 O ATOM 616 CB PRO A 38 9.662 -24.195 -8.770 1.00 0.00 C ATOM 617 CG PRO A 38 9.844 -22.685 -8.626 1.00 0.00 C ATOM 618 CD PRO A 38 9.498 -22.431 -7.161 1.00 0.00 C ATOM 0 HA PRO A 38 7.593 -24.684 -8.280 1.00 0.00 H new ATOM 0 HB2 PRO A 38 10.583 -24.730 -8.539 1.00 0.00 H new ATOM 0 HB3 PRO A 38 9.383 -24.466 -9.788 1.00 0.00 H new ATOM 0 HG2 PRO A 38 10.864 -22.378 -8.858 1.00 0.00 H new ATOM 0 HG3 PRO A 38 9.185 -22.134 -9.297 1.00 0.00 H new ATOM 0 HD2 PRO A 38 10.378 -22.529 -6.526 1.00 0.00 H new ATOM 0 HD3 PRO A 38 9.111 -21.422 -7.017 1.00 0.00 H new ATOM 626 N PRO A 39 8.505 -27.031 -7.587 1.00 0.00 N ATOM 627 CA PRO A 39 8.954 -28.320 -7.066 1.00 0.00 C ATOM 628 C PRO A 39 10.491 -28.364 -6.953 1.00 0.00 C ATOM 629 O PRO A 39 11.186 -28.491 -7.964 1.00 0.00 O ATOM 630 CB PRO A 39 8.372 -29.385 -8.012 1.00 0.00 C ATOM 631 CG PRO A 39 7.204 -28.673 -8.693 1.00 0.00 C ATOM 632 CD PRO A 39 7.668 -27.220 -8.761 1.00 0.00 C ATOM 0 HA PRO A 39 8.602 -28.503 -6.051 1.00 0.00 H new ATOM 0 HB2 PRO A 39 9.112 -29.722 -8.738 1.00 0.00 H new ATOM 0 HB3 PRO A 39 8.038 -30.266 -7.464 1.00 0.00 H new ATOM 0 HG2 PRO A 39 7.009 -29.080 -9.685 1.00 0.00 H new ATOM 0 HG3 PRO A 39 6.282 -28.774 -8.120 1.00 0.00 H new ATOM 0 HD2 PRO A 39 8.226 -27.027 -9.677 1.00 0.00 H new ATOM 0 HD3 PRO A 39 6.820 -26.535 -8.754 1.00 0.00 H new ATOM 846 N LYS A 57 2.603 -27.523 -11.221 1.00 0.00 N ATOM 847 CA LYS A 57 2.725 -27.909 -9.821 1.00 0.00 C ATOM 848 C LYS A 57 3.475 -26.828 -9.069 1.00 0.00 C ATOM 849 O LYS A 57 4.195 -26.024 -9.669 1.00 0.00 O ATOM 850 CB LYS A 57 3.516 -29.219 -9.708 1.00 0.00 C ATOM 851 CG LYS A 57 2.707 -30.414 -10.205 1.00 0.00 C ATOM 852 CD LYS A 57 3.630 -31.620 -10.401 1.00 0.00 C ATOM 853 CE LYS A 57 2.827 -32.847 -10.854 1.00 0.00 C ATOM 854 NZ LYS A 57 3.692 -34.032 -11.086 1.00 0.00 N ATOM 0 HA LYS A 57 1.728 -28.043 -9.401 1.00 0.00 H new ATOM 0 HB2 LYS A 57 4.437 -29.138 -10.285 1.00 0.00 H new ATOM 0 HB3 LYS A 57 3.804 -29.381 -8.669 1.00 0.00 H new ATOM 0 HG2 LYS A 57 1.923 -30.657 -9.488 1.00 0.00 H new ATOM 0 HG3 LYS A 57 2.214 -30.165 -11.145 1.00 0.00 H new ATOM 0 HD2 LYS A 57 4.393 -31.384 -11.143 1.00 0.00 H new ATOM 0 HD3 LYS A 57 4.149 -31.842 -9.469 1.00 0.00 H new ATOM 0 HE2 LYS A 57 2.079 -33.088 -10.099 1.00 0.00 H new ATOM 0 HE3 LYS A 57 2.288 -32.608 -11.771 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 3.106 -34.835 -11.390 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 4.390 -33.813 -11.825 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 4.187 -34.278 -10.205 1.00 0.00 H new ATOM 868 N ALA A 58 3.355 -26.877 -7.751 1.00 0.00 N ATOM 869 CA ALA A 58 4.156 -26.084 -6.827 1.00 0.00 C ATOM 870 C ALA A 58 4.281 -26.825 -5.493 1.00 0.00 C ATOM 871 O ALA A 58 3.698 -27.894 -5.305 1.00 0.00 O ATOM 872 CB ALA A 58 3.538 -24.686 -6.666 1.00 0.00 C ATOM 0 H ALA A 58 2.682 -27.483 -7.282 1.00 0.00 H new ATOM 0 HA ALA A 58 5.162 -25.947 -7.223 1.00 0.00 H new ATOM 0 HB1 ALA A 58 4.142 -24.099 -5.974 1.00 0.00 H new ATOM 0 HB2 ALA A 58 3.508 -24.187 -7.635 1.00 0.00 H new ATOM 0 HB3 ALA A 58 2.525 -24.779 -6.275 1.00 0.00 H new ATOM 878 N ILE A 59 5.033 -26.258 -4.555 1.00 0.00 N ATOM 879 CA ILE A 59 5.237 -26.774 -3.207 1.00 0.00 C ATOM 880 C ILE A 59 5.092 -25.594 -2.259 1.00 0.00 C ATOM 881 O ILE A 59 5.438 -24.467 -2.612 1.00 0.00 O ATOM 882 CB ILE A 59 6.616 -27.480 -3.115 1.00 0.00 C ATOM 883 CG1 ILE A 59 6.475 -28.878 -3.742 1.00 0.00 C ATOM 884 CG2 ILE A 59 7.147 -27.633 -1.678 1.00 0.00 C ATOM 885 CD1 ILE A 59 7.713 -29.775 -3.656 1.00 0.00 C ATOM 0 H ILE A 59 5.539 -25.388 -4.722 1.00 0.00 H new ATOM 0 HA ILE A 59 4.503 -27.533 -2.935 1.00 0.00 H new ATOM 0 HB ILE A 59 7.335 -26.854 -3.643 1.00 0.00 H new ATOM 0 HG12 ILE A 59 5.644 -29.391 -3.258 1.00 0.00 H new ATOM 0 HG13 ILE A 59 6.208 -28.759 -4.792 1.00 0.00 H new ATOM 0 HG21 ILE A 59 8.114 -28.135 -1.699 1.00 0.00 H new ATOM 0 HG22 ILE A 59 7.260 -26.648 -1.225 1.00 0.00 H new ATOM 0 HG23 ILE A 59 6.444 -28.224 -1.091 1.00 0.00 H new ATOM 0 HD11 ILE A 59 7.501 -30.734 -4.129 1.00 0.00 H new ATOM 0 HD12 ILE A 59 8.547 -29.295 -4.168 1.00 0.00 H new ATOM 0 HD13 ILE A 59 7.974 -29.936 -2.610 1.00 0.00 H new ATOM 897 N VAL A 60 4.589 -25.858 -1.056 1.00 0.00 N ATOM 898 CA VAL A 60 4.530 -24.843 -0.003 1.00 0.00 C ATOM 899 C VAL A 60 5.860 -24.935 0.744 1.00 0.00 C ATOM 900 O VAL A 60 6.234 -26.017 1.203 1.00 0.00 O ATOM 901 CB VAL A 60 3.311 -25.053 0.918 1.00 0.00 C ATOM 902 CG1 VAL A 60 3.183 -23.894 1.920 1.00 0.00 C ATOM 903 CG2 VAL A 60 1.984 -25.134 0.142 1.00 0.00 C ATOM 0 H VAL A 60 4.215 -26.767 -0.784 1.00 0.00 H new ATOM 0 HA VAL A 60 4.395 -23.843 -0.415 1.00 0.00 H new ATOM 0 HB VAL A 60 3.486 -26.001 1.427 1.00 0.00 H new ATOM 0 HG11 VAL A 60 2.317 -24.061 2.561 1.00 0.00 H new ATOM 0 HG12 VAL A 60 4.083 -23.842 2.533 1.00 0.00 H new ATOM 0 HG13 VAL A 60 3.058 -22.957 1.378 1.00 0.00 H new ATOM 0 HG21 VAL A 60 1.162 -25.282 0.842 1.00 0.00 H new ATOM 0 HG22 VAL A 60 1.828 -24.207 -0.410 1.00 0.00 H new ATOM 0 HG23 VAL A 60 2.021 -25.970 -0.556 1.00 0.00 H new ATOM 913 N LYS A 61 6.582 -23.822 0.874 1.00 0.00 N ATOM 914 CA LYS A 61 7.965 -23.789 1.347 1.00 0.00 C ATOM 915 C LYS A 61 8.135 -22.661 2.363 1.00 0.00 C ATOM 916 O LYS A 61 7.295 -21.761 2.433 1.00 0.00 O ATOM 917 CB LYS A 61 8.879 -23.591 0.119 1.00 0.00 C ATOM 918 CG LYS A 61 10.218 -24.330 0.253 1.00 0.00 C ATOM 919 CD LYS A 61 11.138 -24.027 -0.940 1.00 0.00 C ATOM 920 CE LYS A 61 12.306 -25.014 -1.053 1.00 0.00 C ATOM 921 NZ LYS A 61 13.220 -24.992 0.111 1.00 0.00 N ATOM 0 H LYS A 61 6.213 -22.898 0.648 1.00 0.00 H new ATOM 0 HA LYS A 61 8.232 -24.720 1.848 1.00 0.00 H new ATOM 0 HB2 LYS A 61 8.362 -23.942 -0.774 1.00 0.00 H new ATOM 0 HB3 LYS A 61 9.068 -22.527 -0.020 1.00 0.00 H new ATOM 0 HG2 LYS A 61 10.709 -24.034 1.180 1.00 0.00 H new ATOM 0 HG3 LYS A 61 10.040 -25.404 0.316 1.00 0.00 H new ATOM 0 HD2 LYS A 61 10.554 -24.055 -1.860 1.00 0.00 H new ATOM 0 HD3 LYS A 61 11.531 -23.015 -0.842 1.00 0.00 H new ATOM 0 HE2 LYS A 61 11.908 -26.022 -1.172 1.00 0.00 H new ATOM 0 HE3 LYS A 61 12.875 -24.788 -1.955 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 14.054 -25.580 -0.091 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 13.522 -24.014 0.297 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 12.727 -25.366 0.947 1.00 0.00 H new ATOM 935 N LYS A 62 9.240 -22.670 3.110 1.00 0.00 N ATOM 936 CA LYS A 62 9.650 -21.591 4.007 1.00 0.00 C ATOM 937 C LYS A 62 11.071 -21.200 3.611 1.00 0.00 C ATOM 938 O LYS A 62 11.876 -22.082 3.311 1.00 0.00 O ATOM 939 CB LYS A 62 9.559 -22.072 5.468 1.00 0.00 C ATOM 940 CG LYS A 62 9.959 -20.990 6.485 1.00 0.00 C ATOM 941 CD LYS A 62 9.867 -21.507 7.927 1.00 0.00 C ATOM 942 CE LYS A 62 10.443 -20.464 8.896 1.00 0.00 C ATOM 943 NZ LYS A 62 10.362 -20.906 10.309 1.00 0.00 N ATOM 0 H LYS A 62 9.894 -23.453 3.107 1.00 0.00 H new ATOM 0 HA LYS A 62 9.001 -20.719 3.925 1.00 0.00 H new ATOM 0 HB2 LYS A 62 8.539 -22.397 5.674 1.00 0.00 H new ATOM 0 HB3 LYS A 62 10.203 -22.941 5.599 1.00 0.00 H new ATOM 0 HG2 LYS A 62 10.977 -20.657 6.282 1.00 0.00 H new ATOM 0 HG3 LYS A 62 9.310 -20.122 6.367 1.00 0.00 H new ATOM 0 HD2 LYS A 62 8.828 -21.717 8.181 1.00 0.00 H new ATOM 0 HD3 LYS A 62 10.414 -22.445 8.022 1.00 0.00 H new ATOM 0 HE2 LYS A 62 11.484 -20.267 8.638 1.00 0.00 H new ATOM 0 HE3 LYS A 62 9.902 -19.525 8.779 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 10.586 -20.107 10.936 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 9.400 -21.247 10.512 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 11.043 -21.675 10.472 1.00 0.00 H new ATOM 957 N GLU A 63 11.381 -19.905 3.594 1.00 0.00 N ATOM 958 CA GLU A 63 12.663 -19.360 3.160 1.00 0.00 C ATOM 959 C GLU A 63 12.908 -18.042 3.898 1.00 0.00 C ATOM 960 O GLU A 63 11.977 -17.427 4.423 1.00 0.00 O ATOM 961 CB GLU A 63 12.653 -19.095 1.638 1.00 0.00 C ATOM 962 CG GLU A 63 12.752 -20.345 0.744 1.00 0.00 C ATOM 963 CD GLU A 63 14.023 -21.198 0.961 1.00 0.00 C ATOM 964 OE1 GLU A 63 15.039 -20.699 1.498 1.00 0.00 O ATOM 965 OE2 GLU A 63 14.023 -22.380 0.545 1.00 0.00 O ATOM 0 H GLU A 63 10.724 -19.184 3.892 1.00 0.00 H new ATOM 0 HA GLU A 63 13.452 -20.078 3.384 1.00 0.00 H new ATOM 0 HB2 GLU A 63 11.736 -18.562 1.386 1.00 0.00 H new ATOM 0 HB3 GLU A 63 13.484 -18.432 1.397 1.00 0.00 H new ATOM 0 HG2 GLU A 63 11.877 -20.971 0.920 1.00 0.00 H new ATOM 0 HG3 GLU A 63 12.715 -20.032 -0.299 1.00 0.00 H new ATOM 972 N LEU A 64 14.164 -17.596 3.943 1.00 0.00 N ATOM 973 CA LEU A 64 14.517 -16.260 4.413 1.00 0.00 C ATOM 974 C LEU A 64 13.924 -15.245 3.434 1.00 0.00 C ATOM 975 O LEU A 64 14.111 -15.388 2.225 1.00 0.00 O ATOM 976 CB LEU A 64 16.053 -16.139 4.458 1.00 0.00 C ATOM 977 CG LEU A 64 16.558 -14.825 5.087 1.00 0.00 C ATOM 978 CD1 LEU A 64 16.469 -14.864 6.616 1.00 0.00 C ATOM 979 CD2 LEU A 64 18.016 -14.583 4.681 1.00 0.00 C ATOM 0 H LEU A 64 14.966 -18.155 3.653 1.00 0.00 H new ATOM 0 HA LEU A 64 14.124 -16.074 5.412 1.00 0.00 H new ATOM 0 HB2 LEU A 64 16.457 -16.979 5.022 1.00 0.00 H new ATOM 0 HB3 LEU A 64 16.444 -16.218 3.444 1.00 0.00 H new ATOM 0 HG LEU A 64 15.923 -14.017 4.722 1.00 0.00 H new ATOM 0 HD11 LEU A 64 16.833 -13.922 7.026 1.00 0.00 H new ATOM 0 HD12 LEU A 64 15.432 -15.014 6.916 1.00 0.00 H new ATOM 0 HD13 LEU A 64 17.079 -15.684 6.995 1.00 0.00 H new ATOM 0 HD21 LEU A 64 18.369 -13.653 5.128 1.00 0.00 H new ATOM 0 HD22 LEU A 64 18.633 -15.411 5.031 1.00 0.00 H new ATOM 0 HD23 LEU A 64 18.085 -14.513 3.595 1.00 0.00 H new ATOM 991 N LEU A 65 13.258 -14.199 3.934 1.00 0.00 N ATOM 992 CA LEU A 65 12.618 -13.177 3.105 1.00 0.00 C ATOM 993 C LEU A 65 13.606 -12.596 2.109 1.00 0.00 C ATOM 994 O LEU A 65 13.264 -12.437 0.942 1.00 0.00 O ATOM 995 CB LEU A 65 12.003 -12.070 3.983 1.00 0.00 C ATOM 996 CG LEU A 65 11.246 -11.001 3.154 1.00 0.00 C ATOM 997 CD1 LEU A 65 10.090 -10.406 3.971 1.00 0.00 C ATOM 998 CD2 LEU A 65 12.135 -9.814 2.748 1.00 0.00 C ATOM 0 H LEU A 65 13.148 -14.038 4.935 1.00 0.00 H new ATOM 0 HA LEU A 65 11.812 -13.648 2.543 1.00 0.00 H new ATOM 0 HB2 LEU A 65 11.317 -12.520 4.701 1.00 0.00 H new ATOM 0 HB3 LEU A 65 12.793 -11.586 4.557 1.00 0.00 H new ATOM 0 HG LEU A 65 10.898 -11.523 2.263 1.00 0.00 H new ATOM 0 HD11 LEU A 65 9.570 -9.657 3.373 1.00 0.00 H new ATOM 0 HD12 LEU A 65 9.394 -11.198 4.247 1.00 0.00 H new ATOM 0 HD13 LEU A 65 10.485 -9.939 4.874 1.00 0.00 H new ATOM 0 HD21 LEU A 65 11.548 -9.100 2.170 1.00 0.00 H new ATOM 0 HD22 LEU A 65 12.521 -9.326 3.643 1.00 0.00 H new ATOM 0 HD23 LEU A 65 12.967 -10.173 2.143 1.00 0.00 H new ATOM 1010 N TYR A 66 14.828 -12.297 2.551 1.00 0.00 N ATOM 1011 CA TYR A 66 15.815 -11.628 1.717 1.00 0.00 C ATOM 1012 C TYR A 66 16.287 -12.501 0.546 1.00 0.00 C ATOM 1013 O TYR A 66 16.787 -11.957 -0.439 1.00 0.00 O ATOM 1014 CB TYR A 66 16.974 -11.132 2.591 1.00 0.00 C ATOM 1015 CG TYR A 66 16.511 -10.223 3.721 1.00 0.00 C ATOM 1016 CD1 TYR A 66 15.878 -9.000 3.421 1.00 0.00 C ATOM 1017 CD2 TYR A 66 16.653 -10.623 5.064 1.00 0.00 C ATOM 1018 CE1 TYR A 66 15.378 -8.185 4.451 1.00 0.00 C ATOM 1019 CE2 TYR A 66 16.167 -9.807 6.101 1.00 0.00 C ATOM 1020 CZ TYR A 66 15.525 -8.584 5.799 1.00 0.00 C ATOM 1021 OH TYR A 66 15.062 -7.796 6.811 1.00 0.00 O ATOM 0 H TYR A 66 15.156 -12.512 3.493 1.00 0.00 H new ATOM 0 HA TYR A 66 15.343 -10.763 1.251 1.00 0.00 H new ATOM 0 HB2 TYR A 66 17.499 -11.990 3.012 1.00 0.00 H new ATOM 0 HB3 TYR A 66 17.689 -10.595 1.968 1.00 0.00 H new ATOM 0 HD1 TYR A 66 15.776 -8.687 2.392 1.00 0.00 H new ATOM 0 HD2 TYR A 66 17.137 -11.560 5.298 1.00 0.00 H new ATOM 0 HE1 TYR A 66 14.882 -7.255 4.213 1.00 0.00 H new ATOM 0 HE2 TYR A 66 16.284 -10.115 7.130 1.00 0.00 H new ATOM 0 HH TYR A 66 15.247 -8.226 7.672 1.00 0.00 H new ATOM 1031 N ASP A 67 16.099 -13.826 0.603 1.00 0.00 N ATOM 1032 CA ASP A 67 16.325 -14.687 -0.558 1.00 0.00 C ATOM 1033 C ASP A 67 15.171 -14.536 -1.551 1.00 0.00 C ATOM 1034 O ASP A 67 15.409 -14.330 -2.741 1.00 0.00 O ATOM 1035 CB ASP A 67 16.465 -16.155 -0.145 1.00 0.00 C ATOM 1036 CG ASP A 67 16.685 -17.035 -1.386 1.00 0.00 C ATOM 1037 OD1 ASP A 67 17.820 -17.066 -1.913 1.00 0.00 O ATOM 1038 OD2 ASP A 67 15.733 -17.711 -1.834 1.00 0.00 O ATOM 0 H ASP A 67 15.792 -14.321 1.440 1.00 0.00 H new ATOM 0 HA ASP A 67 17.257 -14.377 -1.030 1.00 0.00 H new ATOM 0 HB2 ASP A 67 17.302 -16.269 0.544 1.00 0.00 H new ATOM 0 HB3 ASP A 67 15.569 -16.478 0.385 1.00 0.00 H new ATOM 1043 N VAL A 68 13.925 -14.568 -1.065 1.00 0.00 N ATOM 1044 CA VAL A 68 12.728 -14.439 -1.900 1.00 0.00 C ATOM 1045 C VAL A 68 12.688 -13.050 -2.560 1.00 0.00 C ATOM 1046 O VAL A 68 12.381 -12.929 -3.749 1.00 0.00 O ATOM 1047 CB VAL A 68 11.458 -14.742 -1.064 1.00 0.00 C ATOM 1048 CG1 VAL A 68 10.245 -14.923 -1.986 1.00 0.00 C ATOM 1049 CG2 VAL A 68 11.592 -16.045 -0.254 1.00 0.00 C ATOM 0 H VAL A 68 13.719 -14.685 -0.073 1.00 0.00 H new ATOM 0 HA VAL A 68 12.761 -15.173 -2.705 1.00 0.00 H new ATOM 0 HB VAL A 68 11.331 -13.896 -0.388 1.00 0.00 H new ATOM 0 HG11 VAL A 68 9.360 -15.135 -1.386 1.00 0.00 H new ATOM 0 HG12 VAL A 68 10.084 -14.010 -2.559 1.00 0.00 H new ATOM 0 HG13 VAL A 68 10.428 -15.753 -2.669 1.00 0.00 H new ATOM 0 HG21 VAL A 68 10.678 -16.215 0.315 1.00 0.00 H new ATOM 0 HG22 VAL A 68 11.757 -16.881 -0.934 1.00 0.00 H new ATOM 0 HG23 VAL A 68 12.436 -15.963 0.431 1.00 0.00 H new ATOM 1059 N ALA A 69 13.082 -12.006 -1.825 1.00 0.00 N ATOM 1060 CA ALA A 69 13.206 -10.636 -2.306 1.00 0.00 C ATOM 1061 C ALA A 69 14.202 -10.499 -3.464 1.00 0.00 C ATOM 1062 O ALA A 69 14.121 -9.530 -4.220 1.00 0.00 O ATOM 1063 CB ALA A 69 13.646 -9.744 -1.142 1.00 0.00 C ATOM 0 H ALA A 69 13.332 -12.101 -0.841 1.00 0.00 H new ATOM 0 HA ALA A 69 12.233 -10.330 -2.689 1.00 0.00 H new ATOM 0 HB1 ALA A 69 13.743 -8.715 -1.488 1.00 0.00 H new ATOM 0 HB2 ALA A 69 12.902 -9.791 -0.347 1.00 0.00 H new ATOM 0 HB3 ALA A 69 14.607 -10.090 -0.761 1.00 0.00 H new ATOM 1069 N GLY A 70 15.114 -11.464 -3.632 1.00 0.00 N ATOM 1070 CA GLY A 70 16.065 -11.512 -4.735 1.00 0.00 C ATOM 1071 C GLY A 70 15.392 -11.635 -6.107 1.00 0.00 C ATOM 1072 O GLY A 70 16.069 -11.449 -7.119 1.00 0.00 O ATOM 0 H GLY A 70 15.209 -12.248 -2.987 1.00 0.00 H new ATOM 0 HA2 GLY A 70 16.678 -10.611 -4.717 1.00 0.00 H new ATOM 0 HA3 GLY A 70 16.737 -12.358 -4.590 1.00 0.00 H new ATOM 1076 N SER A 71 14.085 -11.927 -6.153 1.00 0.00 N ATOM 1077 CA SER A 71 13.283 -11.937 -7.370 1.00 0.00 C ATOM 1078 C SER A 71 13.452 -10.627 -8.151 1.00 0.00 C ATOM 1079 O SER A 71 13.897 -10.643 -9.299 1.00 0.00 O ATOM 1080 CB SER A 71 11.819 -12.181 -6.997 1.00 0.00 C ATOM 1081 OG SER A 71 11.660 -13.411 -6.303 1.00 0.00 O ATOM 0 H SER A 71 13.548 -12.168 -5.320 1.00 0.00 H new ATOM 0 HA SER A 71 13.623 -12.741 -8.023 1.00 0.00 H new ATOM 0 HB2 SER A 71 11.459 -11.361 -6.375 1.00 0.00 H new ATOM 0 HB3 SER A 71 11.208 -12.189 -7.900 1.00 0.00 H new ATOM 0 HG SER A 71 11.756 -13.258 -5.340 1.00 0.00 H new ATOM 1087 N ASP A 72 13.143 -9.499 -7.508 1.00 0.00 N ATOM 1088 CA ASP A 72 13.429 -8.145 -7.968 1.00 0.00 C ATOM 1089 C ASP A 72 13.248 -7.156 -6.828 1.00 0.00 C ATOM 1090 O ASP A 72 14.140 -6.356 -6.541 1.00 0.00 O ATOM 1091 CB ASP A 72 12.505 -7.735 -9.120 1.00 0.00 C ATOM 1092 CG ASP A 72 12.898 -6.355 -9.669 1.00 0.00 C ATOM 1093 OD1 ASP A 72 14.022 -6.208 -10.200 1.00 0.00 O ATOM 1094 OD2 ASP A 72 12.078 -5.415 -9.591 1.00 0.00 O ATOM 0 H ASP A 72 12.663 -9.509 -6.608 1.00 0.00 H new ATOM 0 HA ASP A 72 14.460 -8.133 -8.320 1.00 0.00 H new ATOM 0 HB2 ASP A 72 12.558 -8.477 -9.917 1.00 0.00 H new ATOM 0 HB3 ASP A 72 11.472 -7.713 -8.773 1.00 0.00 H new ATOM 1099 N LYS A 73 12.094 -7.243 -6.169 1.00 0.00 N ATOM 1100 CA LYS A 73 11.579 -6.273 -5.210 1.00 0.00 C ATOM 1101 C LYS A 73 10.538 -6.978 -4.338 1.00 0.00 C ATOM 1102 O LYS A 73 10.153 -8.109 -4.637 1.00 0.00 O ATOM 1103 CB LYS A 73 10.922 -5.139 -6.022 1.00 0.00 C ATOM 1104 CG LYS A 73 11.889 -4.045 -6.490 1.00 0.00 C ATOM 1105 CD LYS A 73 11.124 -2.867 -7.115 1.00 0.00 C ATOM 1106 CE LYS A 73 12.030 -2.053 -8.049 1.00 0.00 C ATOM 1107 NZ LYS A 73 12.115 -2.653 -9.404 1.00 0.00 N ATOM 0 H LYS A 73 11.462 -8.033 -6.298 1.00 0.00 H new ATOM 0 HA LYS A 73 12.363 -5.867 -4.571 1.00 0.00 H new ATOM 0 HB2 LYS A 73 10.433 -5.571 -6.895 1.00 0.00 H new ATOM 0 HB3 LYS A 73 10.142 -4.680 -5.415 1.00 0.00 H new ATOM 0 HG2 LYS A 73 12.481 -3.692 -5.646 1.00 0.00 H new ATOM 0 HG3 LYS A 73 12.587 -4.458 -7.218 1.00 0.00 H new ATOM 0 HD2 LYS A 73 10.265 -3.242 -7.672 1.00 0.00 H new ATOM 0 HD3 LYS A 73 10.736 -2.222 -6.327 1.00 0.00 H new ATOM 0 HE2 LYS A 73 11.649 -1.035 -8.127 1.00 0.00 H new ATOM 0 HE3 LYS A 73 13.029 -1.987 -7.618 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 13.065 -2.494 -9.795 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 11.933 -3.675 -9.343 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 11.407 -2.211 -10.024 1.00 0.00 H new ATOM 1121 N TYR A 74 10.031 -6.324 -3.294 1.00 0.00 N ATOM 1122 CA TYR A 74 8.935 -6.839 -2.474 1.00 0.00 C ATOM 1123 C TYR A 74 8.243 -5.682 -1.750 1.00 0.00 C ATOM 1124 O TYR A 74 8.801 -4.583 -1.669 1.00 0.00 O ATOM 1125 CB TYR A 74 9.459 -7.882 -1.473 1.00 0.00 C ATOM 1126 CG TYR A 74 10.353 -7.324 -0.378 1.00 0.00 C ATOM 1127 CD1 TYR A 74 11.694 -6.997 -0.655 1.00 0.00 C ATOM 1128 CD2 TYR A 74 9.833 -7.099 0.913 1.00 0.00 C ATOM 1129 CE1 TYR A 74 12.520 -6.463 0.348 1.00 0.00 C ATOM 1130 CE2 TYR A 74 10.650 -6.557 1.921 1.00 0.00 C ATOM 1131 CZ TYR A 74 12.001 -6.242 1.645 1.00 0.00 C ATOM 1132 OH TYR A 74 12.794 -5.727 2.626 1.00 0.00 O ATOM 0 H TYR A 74 10.373 -5.412 -2.990 1.00 0.00 H new ATOM 0 HA TYR A 74 8.206 -7.330 -3.118 1.00 0.00 H new ATOM 0 HB2 TYR A 74 8.607 -8.379 -1.009 1.00 0.00 H new ATOM 0 HB3 TYR A 74 10.013 -8.644 -2.021 1.00 0.00 H new ATOM 0 HD1 TYR A 74 12.091 -7.158 -1.646 1.00 0.00 H new ATOM 0 HD2 TYR A 74 8.803 -7.344 1.129 1.00 0.00 H new ATOM 0 HE1 TYR A 74 13.550 -6.222 0.129 1.00 0.00 H new ATOM 0 HE2 TYR A 74 10.246 -6.381 2.907 1.00 0.00 H new ATOM 0 HH TYR A 74 12.276 -5.640 3.453 1.00 0.00 H new ATOM 1142 N GLN A 75 7.038 -5.925 -1.226 1.00 0.00 N ATOM 1143 CA GLN A 75 6.236 -4.967 -0.464 1.00 0.00 C ATOM 1144 C GLN A 75 5.421 -5.742 0.582 1.00 0.00 C ATOM 1145 O GLN A 75 5.202 -6.943 0.418 1.00 0.00 O ATOM 1146 CB GLN A 75 5.265 -4.185 -1.385 1.00 0.00 C ATOM 1147 CG GLN A 75 5.846 -3.683 -2.719 1.00 0.00 C ATOM 1148 CD GLN A 75 4.864 -2.783 -3.471 1.00 0.00 C ATOM 1149 OE1 GLN A 75 4.833 -1.572 -3.263 1.00 0.00 O ATOM 1150 NE2 GLN A 75 4.045 -3.323 -4.361 1.00 0.00 N ATOM 0 H GLN A 75 6.578 -6.830 -1.326 1.00 0.00 H new ATOM 0 HA GLN A 75 6.904 -4.249 0.012 1.00 0.00 H new ATOM 0 HB2 GLN A 75 4.410 -4.825 -1.603 1.00 0.00 H new ATOM 0 HB3 GLN A 75 4.886 -3.326 -0.832 1.00 0.00 H new ATOM 0 HG2 GLN A 75 6.768 -3.134 -2.529 1.00 0.00 H new ATOM 0 HG3 GLN A 75 6.107 -4.537 -3.345 1.00 0.00 H new ATOM 0 HE21 GLN A 75 4.071 -4.328 -4.534 1.00 0.00 H new ATOM 0 HE22 GLN A 75 3.389 -2.734 -4.874 1.00 0.00 H new ATOM 1159 N VAL A 76 4.937 -5.077 1.633 1.00 0.00 N ATOM 1160 CA VAL A 76 3.940 -5.652 2.541 1.00 0.00 C ATOM 1161 C VAL A 76 2.589 -5.266 1.933 1.00 0.00 C ATOM 1162 O VAL A 76 2.418 -4.115 1.514 1.00 0.00 O ATOM 1163 CB VAL A 76 4.082 -5.101 3.979 1.00 0.00 C ATOM 1164 CG1 VAL A 76 3.240 -5.924 4.977 1.00 0.00 C ATOM 1165 CG2 VAL A 76 5.538 -5.084 4.473 1.00 0.00 C ATOM 0 H VAL A 76 5.223 -4.129 1.879 1.00 0.00 H new ATOM 0 HA VAL A 76 4.059 -6.731 2.634 1.00 0.00 H new ATOM 0 HB VAL A 76 3.720 -4.074 3.935 1.00 0.00 H new ATOM 0 HG11 VAL A 76 3.360 -5.513 5.980 1.00 0.00 H new ATOM 0 HG12 VAL A 76 2.189 -5.880 4.690 1.00 0.00 H new ATOM 0 HG13 VAL A 76 3.575 -6.961 4.967 1.00 0.00 H new ATOM 0 HG21 VAL A 76 5.573 -4.687 5.488 1.00 0.00 H new ATOM 0 HG22 VAL A 76 5.936 -6.099 4.466 1.00 0.00 H new ATOM 0 HG23 VAL A 76 6.138 -4.454 3.816 1.00 0.00 H new ATOM 1175 N ASN A 77 1.633 -6.194 1.857 1.00 0.00 N ATOM 1176 CA ASN A 77 0.334 -5.922 1.242 1.00 0.00 C ATOM 1177 C ASN A 77 -0.740 -6.839 1.818 1.00 0.00 C ATOM 1178 O ASN A 77 -1.140 -7.818 1.184 1.00 0.00 O ATOM 1179 CB ASN A 77 0.410 -6.024 -0.292 1.00 0.00 C ATOM 1180 CG ASN A 77 -0.890 -5.587 -0.971 1.00 0.00 C ATOM 1181 OD1 ASN A 77 -1.860 -5.174 -0.340 1.00 0.00 O ATOM 1182 ND2 ASN A 77 -0.916 -5.625 -2.290 1.00 0.00 N ATOM 0 H ASN A 77 1.736 -7.143 2.215 1.00 0.00 H new ATOM 0 HA ASN A 77 0.054 -4.896 1.481 1.00 0.00 H new ATOM 0 HB2 ASN A 77 1.231 -5.406 -0.654 1.00 0.00 H new ATOM 0 HB3 ASN A 77 0.636 -7.052 -0.574 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -1.746 -5.310 -2.793 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -0.107 -5.969 -2.806 1.00 0.00 H new ATOM 1189 N ASN A 78 -1.180 -6.554 3.049 1.00 0.00 N ATOM 1190 CA ASN A 78 -2.363 -7.196 3.623 1.00 0.00 C ATOM 1191 C ASN A 78 -3.569 -6.707 2.822 1.00 0.00 C ATOM 1192 O ASN A 78 -4.101 -5.631 3.105 1.00 0.00 O ATOM 1193 CB ASN A 78 -2.565 -6.850 5.105 1.00 0.00 C ATOM 1194 CG ASN A 78 -1.539 -7.452 6.047 1.00 0.00 C ATOM 1195 OD1 ASN A 78 -1.141 -8.600 5.895 1.00 0.00 O ATOM 1196 ND2 ASN A 78 -1.099 -6.697 7.038 1.00 0.00 N ATOM 0 H ASN A 78 -0.730 -5.879 3.668 1.00 0.00 H new ATOM 0 HA ASN A 78 -2.240 -8.278 3.569 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -2.546 -5.766 5.216 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -3.557 -7.185 5.409 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -0.414 -7.068 7.696 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -1.445 -5.743 7.145 1.00 0.00 H new ATOM 1203 N LYS A 79 -3.987 -7.473 1.809 1.00 0.00 N ATOM 1204 CA LYS A 79 -4.967 -6.995 0.825 1.00 0.00 C ATOM 1205 C LYS A 79 -6.306 -6.538 1.413 1.00 0.00 C ATOM 1206 O LYS A 79 -6.974 -5.725 0.773 1.00 0.00 O ATOM 1207 CB LYS A 79 -5.184 -8.024 -0.298 1.00 0.00 C ATOM 1208 CG LYS A 79 -3.949 -8.110 -1.212 1.00 0.00 C ATOM 1209 CD LYS A 79 -4.203 -8.815 -2.551 1.00 0.00 C ATOM 1210 CE LYS A 79 -5.234 -8.075 -3.419 1.00 0.00 C ATOM 1211 NZ LYS A 79 -5.103 -8.417 -4.855 1.00 0.00 N ATOM 0 H LYS A 79 -3.663 -8.427 1.648 1.00 0.00 H new ATOM 0 HA LYS A 79 -4.517 -6.095 0.406 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -5.389 -9.003 0.135 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -6.058 -7.746 -0.887 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -3.586 -7.101 -1.409 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -3.155 -8.637 -0.682 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -3.264 -8.897 -3.098 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -4.553 -9.830 -2.363 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -6.239 -8.323 -3.078 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -5.110 -7.000 -3.290 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -5.994 -8.201 -5.346 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -4.332 -7.860 -5.276 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -4.891 -9.430 -4.953 1.00 0.00 H new ATOM 1225 N HIS A 80 -6.700 -7.001 2.604 1.00 0.00 N ATOM 1226 CA HIS A 80 -7.982 -6.667 3.208 1.00 0.00 C ATOM 1227 C HIS A 80 -7.856 -6.355 4.691 1.00 0.00 C ATOM 1228 O HIS A 80 -8.871 -6.375 5.376 1.00 0.00 O ATOM 1229 CB HIS A 80 -9.013 -7.780 3.005 1.00 0.00 C ATOM 1230 CG HIS A 80 -9.134 -8.298 1.593 1.00 0.00 C ATOM 1231 ND1 HIS A 80 -9.887 -7.711 0.569 1.00 0.00 N ATOM 1232 CD2 HIS A 80 -8.507 -9.409 1.106 1.00 0.00 C ATOM 1233 CE1 HIS A 80 -9.690 -8.488 -0.512 1.00 0.00 C ATOM 1234 NE2 HIS A 80 -8.868 -9.511 -0.218 1.00 0.00 N ATOM 0 H HIS A 80 -6.129 -7.623 3.176 1.00 0.00 H new ATOM 0 HA HIS A 80 -8.328 -5.769 2.697 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -8.757 -8.613 3.659 1.00 0.00 H new ATOM 0 HB3 HIS A 80 -9.988 -7.412 3.324 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -7.856 -10.076 1.652 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -10.131 -8.314 -1.482 1.00 0.00 H new ATOM 0 HE2 HIS A 80 -8.564 -10.238 -0.866 1.00 0.00 H new ATOM 1242 N ASP A 81 -6.682 -5.975 5.207 1.00 0.00 N ATOM 1243 CA ASP A 81 -6.563 -5.443 6.581 1.00 0.00 C ATOM 1244 C ASP A 81 -7.393 -4.155 6.779 1.00 0.00 C ATOM 1245 O ASP A 81 -7.521 -3.638 7.888 1.00 0.00 O ATOM 1246 CB ASP A 81 -5.086 -5.218 6.926 1.00 0.00 C ATOM 1247 CG ASP A 81 -4.861 -4.579 8.308 1.00 0.00 C ATOM 1248 OD1 ASP A 81 -5.093 -5.254 9.336 1.00 0.00 O ATOM 1249 OD2 ASP A 81 -4.378 -3.425 8.370 1.00 0.00 O ATOM 0 H ASP A 81 -5.798 -6.023 4.700 1.00 0.00 H new ATOM 0 HA ASP A 81 -6.975 -6.182 7.268 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -4.564 -6.174 6.889 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -4.638 -4.581 6.164 1.00 0.00 H new ATOM 1254 N ASP A 82 -8.006 -3.650 5.704 1.00 0.00 N ATOM 1255 CA ASP A 82 -8.901 -2.490 5.723 1.00 0.00 C ATOM 1256 C ASP A 82 -10.343 -2.921 6.028 1.00 0.00 C ATOM 1257 O ASP A 82 -11.212 -2.083 6.276 1.00 0.00 O ATOM 1258 CB ASP A 82 -8.829 -1.787 4.360 1.00 0.00 C ATOM 1259 CG ASP A 82 -9.688 -0.510 4.313 1.00 0.00 C ATOM 1260 OD1 ASP A 82 -9.395 0.450 5.062 1.00 0.00 O ATOM 1261 OD2 ASP A 82 -10.622 -0.433 3.483 1.00 0.00 O ATOM 0 H ASP A 82 -7.890 -4.048 4.772 1.00 0.00 H new ATOM 0 HA ASP A 82 -8.586 -1.803 6.508 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -7.792 -1.533 4.140 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -9.161 -2.474 3.582 1.00 0.00 H new ATOM 1266 N LYS A 83 -10.602 -4.235 6.021 1.00 0.00 N ATOM 1267 CA LYS A 83 -11.934 -4.825 6.065 1.00 0.00 C ATOM 1268 C LYS A 83 -12.011 -5.938 7.107 1.00 0.00 C ATOM 1269 O LYS A 83 -13.004 -6.017 7.831 1.00 0.00 O ATOM 1270 CB LYS A 83 -12.303 -5.401 4.680 1.00 0.00 C ATOM 1271 CG LYS A 83 -11.941 -4.509 3.476 1.00 0.00 C ATOM 1272 CD LYS A 83 -12.457 -5.063 2.138 1.00 0.00 C ATOM 1273 CE LYS A 83 -13.990 -5.013 2.036 1.00 0.00 C ATOM 1274 NZ LYS A 83 -14.479 -5.473 0.712 1.00 0.00 N ATOM 0 H LYS A 83 -9.861 -4.935 5.983 1.00 0.00 H new ATOM 0 HA LYS A 83 -12.638 -4.039 6.340 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -11.805 -6.363 4.561 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -13.376 -5.593 4.659 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -12.353 -3.512 3.633 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -10.858 -4.401 3.424 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -12.022 -4.490 1.319 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -12.121 -6.093 2.020 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -14.425 -5.635 2.818 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -14.331 -3.993 2.213 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -15.517 -5.422 0.689 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -14.086 -4.864 -0.034 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -14.177 -6.455 0.552 1.00 0.00 H new ATOM 1288 N TYR A 84 -10.973 -6.773 7.196 1.00 0.00 N ATOM 1289 CA TYR A 84 -10.970 -8.013 7.963 1.00 0.00 C ATOM 1290 C TYR A 84 -9.561 -8.397 8.422 1.00 0.00 C ATOM 1291 O TYR A 84 -8.562 -7.950 7.864 1.00 0.00 O ATOM 1292 CB TYR A 84 -11.484 -9.151 7.059 1.00 0.00 C ATOM 1293 CG TYR A 84 -12.928 -9.033 6.616 1.00 0.00 C ATOM 1294 CD1 TYR A 84 -13.965 -9.229 7.548 1.00 0.00 C ATOM 1295 CD2 TYR A 84 -13.234 -8.736 5.275 1.00 0.00 C ATOM 1296 CE1 TYR A 84 -15.307 -9.119 7.144 1.00 0.00 C ATOM 1297 CE2 TYR A 84 -14.574 -8.624 4.862 1.00 0.00 C ATOM 1298 CZ TYR A 84 -15.619 -8.814 5.798 1.00 0.00 C ATOM 1299 OH TYR A 84 -16.924 -8.710 5.418 1.00 0.00 O ATOM 0 H TYR A 84 -10.088 -6.596 6.721 1.00 0.00 H new ATOM 0 HA TYR A 84 -11.601 -7.864 8.839 1.00 0.00 H new ATOM 0 HB2 TYR A 84 -10.853 -9.199 6.171 1.00 0.00 H new ATOM 0 HB3 TYR A 84 -11.361 -10.096 7.589 1.00 0.00 H new ATOM 0 HD1 TYR A 84 -13.729 -9.464 8.575 1.00 0.00 H new ATOM 0 HD2 TYR A 84 -12.437 -8.594 4.560 1.00 0.00 H new ATOM 0 HE1 TYR A 84 -16.100 -9.267 7.862 1.00 0.00 H new ATOM 0 HE2 TYR A 84 -14.805 -8.393 3.833 1.00 0.00 H new ATOM 0 HH TYR A 84 -16.970 -8.495 4.463 1.00 0.00 H new ATOM 1309 N SER A 85 -9.510 -9.283 9.415 1.00 0.00 N ATOM 1310 CA SER A 85 -8.367 -10.053 9.914 1.00 0.00 C ATOM 1311 C SER A 85 -8.931 -10.927 11.048 1.00 0.00 C ATOM 1312 O SER A 85 -8.735 -10.617 12.225 1.00 0.00 O ATOM 1313 CB SER A 85 -7.171 -9.197 10.361 1.00 0.00 C ATOM 1314 OG SER A 85 -6.443 -8.731 9.234 1.00 0.00 O ATOM 0 H SER A 85 -10.353 -9.503 9.945 1.00 0.00 H new ATOM 0 HA SER A 85 -7.937 -10.653 9.112 1.00 0.00 H new ATOM 0 HB2 SER A 85 -7.523 -8.350 10.950 1.00 0.00 H new ATOM 0 HB3 SER A 85 -6.517 -9.784 11.006 1.00 0.00 H new ATOM 0 HG SER A 85 -7.037 -8.212 8.653 1.00 0.00 H new ATOM 1320 N PRO A 86 -9.723 -11.968 10.717 1.00 0.00 N ATOM 1321 CA PRO A 86 -10.454 -12.772 11.698 1.00 0.00 C ATOM 1322 C PRO A 86 -9.553 -13.607 12.615 1.00 0.00 C ATOM 1323 O PRO A 86 -10.028 -14.145 13.617 1.00 0.00 O ATOM 1324 CB PRO A 86 -11.365 -13.689 10.877 1.00 0.00 C ATOM 1325 CG PRO A 86 -10.679 -13.791 9.519 1.00 0.00 C ATOM 1326 CD PRO A 86 -10.032 -12.420 9.367 1.00 0.00 C ATOM 0 HA PRO A 86 -11.000 -12.113 12.373 1.00 0.00 H new ATOM 0 HB2 PRO A 86 -11.468 -14.668 11.344 1.00 0.00 H new ATOM 0 HB3 PRO A 86 -12.368 -13.273 10.785 1.00 0.00 H new ATOM 0 HG2 PRO A 86 -9.940 -14.592 9.498 1.00 0.00 H new ATOM 0 HG3 PRO A 86 -11.392 -13.993 8.719 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -9.129 -12.480 8.760 1.00 0.00 H new ATOM 0 HD3 PRO A 86 -10.706 -11.724 8.868 1.00 0.00 H new ATOM 1334 N LEU A 87 -8.273 -13.743 12.267 1.00 0.00 N ATOM 1335 CA LEU A 87 -7.325 -14.629 12.931 1.00 0.00 C ATOM 1336 C LEU A 87 -6.227 -13.777 13.575 1.00 0.00 C ATOM 1337 O LEU A 87 -5.775 -12.817 12.945 1.00 0.00 O ATOM 1338 CB LEU A 87 -6.723 -15.601 11.900 1.00 0.00 C ATOM 1339 CG LEU A 87 -7.733 -16.584 11.276 1.00 0.00 C ATOM 1340 CD1 LEU A 87 -7.046 -17.399 10.178 1.00 0.00 C ATOM 1341 CD2 LEU A 87 -8.335 -17.541 12.313 1.00 0.00 C ATOM 0 H LEU A 87 -7.858 -13.224 11.493 1.00 0.00 H new ATOM 0 HA LEU A 87 -7.826 -15.213 13.703 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -6.260 -15.021 11.101 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -5.929 -16.173 12.380 1.00 0.00 H new ATOM 0 HG LEU A 87 -8.547 -15.991 10.860 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -7.762 -18.093 9.738 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -6.672 -16.727 9.406 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -6.214 -17.958 10.606 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -9.040 -18.212 11.823 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -7.539 -18.125 12.775 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -8.855 -16.966 13.080 1.00 0.00 H new ATOM 1353 N PRO A 88 -5.781 -14.099 14.803 1.00 0.00 N ATOM 1354 CA PRO A 88 -4.644 -13.430 15.418 1.00 0.00 C ATOM 1355 C PRO A 88 -3.348 -13.872 14.732 1.00 0.00 C ATOM 1356 O PRO A 88 -3.285 -14.953 14.136 1.00 0.00 O ATOM 1357 CB PRO A 88 -4.684 -13.843 16.893 1.00 0.00 C ATOM 1358 CG PRO A 88 -5.307 -15.236 16.846 1.00 0.00 C ATOM 1359 CD PRO A 88 -6.294 -15.141 15.682 1.00 0.00 C ATOM 0 HA PRO A 88 -4.686 -12.345 15.320 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -3.687 -13.862 17.333 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -5.283 -13.154 17.489 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -4.556 -16.007 16.675 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -5.810 -15.483 17.781 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -6.369 -16.093 15.156 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -7.294 -14.893 16.038 1.00 0.00 H new ATOM 1367 N CYS A 89 -2.294 -13.060 14.870 1.00 0.00 N ATOM 1368 CA CYS A 89 -0.992 -13.308 14.255 1.00 0.00 C ATOM 1369 C CYS A 89 -0.489 -14.719 14.558 1.00 0.00 C ATOM 1370 O CYS A 89 -0.021 -15.398 13.648 1.00 0.00 O ATOM 1371 CB CYS A 89 0.017 -12.253 14.724 1.00 0.00 C ATOM 1372 SG CYS A 89 -0.589 -10.583 14.333 1.00 0.00 S ATOM 0 H CYS A 89 -2.325 -12.202 15.420 1.00 0.00 H new ATOM 0 HA CYS A 89 -1.104 -13.231 13.174 1.00 0.00 H new ATOM 0 HB2 CYS A 89 0.179 -12.347 15.798 1.00 0.00 H new ATOM 0 HB3 CYS A 89 0.980 -12.420 14.241 1.00 0.00 H new ATOM 0 HG CYS A 89 0.276 -9.701 14.739 1.00 0.00 H new ATOM 1378 N SER A 90 -0.644 -15.182 15.802 1.00 0.00 N ATOM 1379 CA SER A 90 -0.209 -16.502 16.230 1.00 0.00 C ATOM 1380 C SER A 90 -0.783 -17.594 15.325 1.00 0.00 C ATOM 1381 O SER A 90 -0.025 -18.332 14.705 1.00 0.00 O ATOM 1382 CB SER A 90 -0.586 -16.708 17.706 1.00 0.00 C ATOM 1383 OG SER A 90 -0.269 -15.550 18.468 1.00 0.00 O ATOM 0 H SER A 90 -1.082 -14.638 16.545 1.00 0.00 H new ATOM 0 HA SER A 90 0.875 -16.573 16.142 1.00 0.00 H new ATOM 0 HB2 SER A 90 -1.651 -16.924 17.788 1.00 0.00 H new ATOM 0 HB3 SER A 90 -0.054 -17.571 18.106 1.00 0.00 H new ATOM 0 HG SER A 90 -0.517 -15.697 19.405 1.00 0.00 H new ATOM 1389 N LYS A 91 -2.108 -17.657 15.179 1.00 0.00 N ATOM 1390 CA LYS A 91 -2.800 -18.634 14.340 1.00 0.00 C ATOM 1391 C LYS A 91 -2.426 -18.481 12.871 1.00 0.00 C ATOM 1392 O LYS A 91 -2.273 -19.499 12.202 1.00 0.00 O ATOM 1393 CB LYS A 91 -4.327 -18.513 14.503 1.00 0.00 C ATOM 1394 CG LYS A 91 -4.860 -18.887 15.898 1.00 0.00 C ATOM 1395 CD LYS A 91 -4.674 -20.372 16.247 1.00 0.00 C ATOM 1396 CE LYS A 91 -5.361 -20.680 17.586 1.00 0.00 C ATOM 1397 NZ LYS A 91 -5.228 -22.106 17.977 1.00 0.00 N ATOM 0 H LYS A 91 -2.743 -17.015 15.652 1.00 0.00 H new ATOM 0 HA LYS A 91 -2.482 -19.622 14.672 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -4.622 -17.488 14.280 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -4.809 -19.151 13.762 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -4.352 -18.279 16.647 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -5.920 -18.639 15.952 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -5.096 -20.996 15.459 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -3.612 -20.611 16.309 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -4.930 -20.051 18.365 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -6.418 -20.422 17.516 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -5.708 -22.263 18.886 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -5.662 -22.708 17.248 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -4.221 -22.348 18.071 1.00 0.00 H new ATOM 1411 N ILE A 92 -2.257 -17.259 12.361 1.00 0.00 N ATOM 1412 CA ILE A 92 -1.870 -17.052 10.964 1.00 0.00 C ATOM 1413 C ILE A 92 -0.516 -17.735 10.722 1.00 0.00 C ATOM 1414 O ILE A 92 -0.370 -18.514 9.778 1.00 0.00 O ATOM 1415 CB ILE A 92 -1.841 -15.541 10.630 1.00 0.00 C ATOM 1416 CG1 ILE A 92 -3.243 -14.903 10.758 1.00 0.00 C ATOM 1417 CG2 ILE A 92 -1.310 -15.318 9.202 1.00 0.00 C ATOM 1418 CD1 ILE A 92 -3.196 -13.380 10.928 1.00 0.00 C ATOM 0 H ILE A 92 -2.382 -16.398 12.894 1.00 0.00 H new ATOM 0 HA ILE A 92 -2.603 -17.502 10.295 1.00 0.00 H new ATOM 0 HB ILE A 92 -1.177 -15.062 11.349 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -3.829 -15.146 9.871 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -3.759 -15.342 11.612 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -1.296 -14.251 8.982 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -0.299 -15.719 9.123 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -1.959 -15.827 8.489 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -4.211 -12.992 11.012 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -2.636 -13.132 11.830 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -2.707 -12.932 10.063 1.00 0.00 H new ATOM 1430 N ILE A 93 0.463 -17.480 11.593 1.00 0.00 N ATOM 1431 CA ILE A 93 1.800 -18.054 11.499 1.00 0.00 C ATOM 1432 C ILE A 93 1.698 -19.569 11.675 1.00 0.00 C ATOM 1433 O ILE A 93 2.282 -20.318 10.894 1.00 0.00 O ATOM 1434 CB ILE A 93 2.707 -17.406 12.570 1.00 0.00 C ATOM 1435 CG1 ILE A 93 2.841 -15.888 12.330 1.00 0.00 C ATOM 1436 CG2 ILE A 93 4.102 -18.047 12.594 1.00 0.00 C ATOM 1437 CD1 ILE A 93 3.345 -15.143 13.569 1.00 0.00 C ATOM 0 H ILE A 93 0.344 -16.859 12.394 1.00 0.00 H new ATOM 0 HA ILE A 93 2.244 -17.855 10.524 1.00 0.00 H new ATOM 0 HB ILE A 93 2.233 -17.577 13.536 1.00 0.00 H new ATOM 0 HG12 ILE A 93 3.526 -15.713 11.501 1.00 0.00 H new ATOM 0 HG13 ILE A 93 1.873 -15.483 12.035 1.00 0.00 H new ATOM 0 HG21 ILE A 93 4.711 -17.565 13.359 1.00 0.00 H new ATOM 0 HG22 ILE A 93 4.010 -19.110 12.819 1.00 0.00 H new ATOM 0 HG23 ILE A 93 4.577 -17.922 11.621 1.00 0.00 H new ATOM 0 HD11 ILE A 93 3.422 -14.079 13.347 1.00 0.00 H new ATOM 0 HD12 ILE A 93 2.647 -15.293 14.393 1.00 0.00 H new ATOM 0 HD13 ILE A 93 4.326 -15.527 13.850 1.00 0.00 H new ATOM 1449 N GLN A 94 0.941 -20.022 12.677 1.00 0.00 N ATOM 1450 CA GLN A 94 0.795 -21.440 12.976 1.00 0.00 C ATOM 1451 C GLN A 94 0.234 -22.177 11.755 1.00 0.00 C ATOM 1452 O GLN A 94 0.758 -23.228 11.406 1.00 0.00 O ATOM 1453 CB GLN A 94 0.041 -21.674 14.309 1.00 0.00 C ATOM 1454 CG GLN A 94 -1.387 -22.239 14.247 1.00 0.00 C ATOM 1455 CD GLN A 94 -1.439 -23.735 13.891 1.00 0.00 C ATOM 1456 OE1 GLN A 94 -0.672 -24.544 14.406 1.00 0.00 O ATOM 1457 NE2 GLN A 94 -2.333 -24.140 13.003 1.00 0.00 N ATOM 0 H GLN A 94 0.414 -19.412 13.302 1.00 0.00 H new ATOM 0 HA GLN A 94 1.773 -21.884 13.160 1.00 0.00 H new ATOM 0 HB2 GLN A 94 0.641 -22.352 14.916 1.00 0.00 H new ATOM 0 HB3 GLN A 94 -0.000 -20.723 14.839 1.00 0.00 H new ATOM 0 HG2 GLN A 94 -1.872 -22.086 15.211 1.00 0.00 H new ATOM 0 HG3 GLN A 94 -1.960 -21.678 13.509 1.00 0.00 H new ATOM 0 HE21 GLN A 94 -2.969 -23.467 12.576 1.00 0.00 H new ATOM 0 HE22 GLN A 94 -2.386 -25.126 12.745 1.00 0.00 H new ATOM 1466 N ARG A 95 -0.769 -21.617 11.064 1.00 0.00 N ATOM 1467 CA ARG A 95 -1.303 -22.192 9.830 1.00 0.00 C ATOM 1468 C ARG A 95 -0.225 -22.204 8.757 1.00 0.00 C ATOM 1469 O ARG A 95 -0.017 -23.242 8.132 1.00 0.00 O ATOM 1470 CB ARG A 95 -2.532 -21.400 9.344 1.00 0.00 C ATOM 1471 CG ARG A 95 -3.807 -21.676 10.160 1.00 0.00 C ATOM 1472 CD ARG A 95 -4.437 -23.038 9.831 1.00 0.00 C ATOM 1473 NE ARG A 95 -5.079 -23.043 8.503 1.00 0.00 N ATOM 1474 CZ ARG A 95 -5.332 -24.121 7.747 1.00 0.00 C ATOM 1475 NH1 ARG A 95 -4.903 -25.332 8.092 1.00 0.00 N ATOM 1476 NH2 ARG A 95 -6.025 -23.974 6.621 1.00 0.00 N ATOM 0 H ARG A 95 -1.230 -20.753 11.348 1.00 0.00 H new ATOM 0 HA ARG A 95 -1.618 -23.216 10.032 1.00 0.00 H new ATOM 0 HB2 ARG A 95 -2.307 -20.334 9.387 1.00 0.00 H new ATOM 0 HB3 ARG A 95 -2.720 -21.644 8.298 1.00 0.00 H new ATOM 0 HG2 ARG A 95 -3.569 -21.638 11.223 1.00 0.00 H new ATOM 0 HG3 ARG A 95 -4.535 -20.888 9.968 1.00 0.00 H new ATOM 0 HD2 ARG A 95 -3.669 -23.811 9.865 1.00 0.00 H new ATOM 0 HD3 ARG A 95 -5.176 -23.289 10.592 1.00 0.00 H new ATOM 0 HE ARG A 95 -5.358 -22.138 8.123 1.00 0.00 H new ATOM 0 HH11 ARG A 95 -4.367 -25.458 8.951 1.00 0.00 H new ATOM 0 HH12 ARG A 95 -5.110 -26.135 7.498 1.00 0.00 H new ATOM 0 HH21 ARG A 95 -6.356 -23.050 6.343 1.00 0.00 H new ATOM 0 HH22 ARG A 95 -6.225 -24.785 6.036 1.00 0.00 H new ATOM 1490 N ALA A 96 0.479 -21.088 8.554 1.00 0.00 N ATOM 1491 CA ALA A 96 1.500 -20.997 7.523 1.00 0.00 C ATOM 1492 C ALA A 96 2.505 -22.136 7.681 1.00 0.00 C ATOM 1493 O ALA A 96 2.735 -22.902 6.748 1.00 0.00 O ATOM 1494 CB ALA A 96 2.184 -19.623 7.586 1.00 0.00 C ATOM 0 H ALA A 96 0.355 -20.233 9.097 1.00 0.00 H new ATOM 0 HA ALA A 96 1.038 -21.096 6.541 1.00 0.00 H new ATOM 0 HB1 ALA A 96 2.948 -19.561 6.811 1.00 0.00 H new ATOM 0 HB2 ALA A 96 1.443 -18.840 7.428 1.00 0.00 H new ATOM 0 HB3 ALA A 96 2.648 -19.492 8.564 1.00 0.00 H new ATOM 1500 N GLU A 97 3.051 -22.288 8.884 1.00 0.00 N ATOM 1501 CA GLU A 97 4.101 -23.257 9.164 1.00 0.00 C ATOM 1502 C GLU A 97 3.570 -24.695 9.256 1.00 0.00 C ATOM 1503 O GLU A 97 4.345 -25.636 9.085 1.00 0.00 O ATOM 1504 CB GLU A 97 4.848 -22.861 10.447 1.00 0.00 C ATOM 1505 CG GLU A 97 5.553 -21.502 10.309 1.00 0.00 C ATOM 1506 CD GLU A 97 6.544 -21.253 11.459 1.00 0.00 C ATOM 1507 OE1 GLU A 97 6.131 -21.194 12.639 1.00 0.00 O ATOM 1508 OE2 GLU A 97 7.757 -21.122 11.178 1.00 0.00 O ATOM 0 H GLU A 97 2.774 -21.737 9.697 1.00 0.00 H new ATOM 0 HA GLU A 97 4.795 -23.241 8.324 1.00 0.00 H new ATOM 0 HB2 GLU A 97 4.144 -22.821 11.278 1.00 0.00 H new ATOM 0 HB3 GLU A 97 5.584 -23.628 10.689 1.00 0.00 H new ATOM 0 HG2 GLU A 97 6.083 -21.463 9.357 1.00 0.00 H new ATOM 0 HG3 GLU A 97 4.808 -20.706 10.292 1.00 0.00 H new ATOM 1515 N GLU A 98 2.269 -24.899 9.484 1.00 0.00 N ATOM 1516 CA GLU A 98 1.628 -26.197 9.517 1.00 0.00 C ATOM 1517 C GLU A 98 1.531 -26.744 8.087 1.00 0.00 C ATOM 1518 O GLU A 98 1.516 -27.959 7.884 1.00 0.00 O ATOM 1519 CB GLU A 98 0.263 -25.978 10.197 1.00 0.00 C ATOM 1520 CG GLU A 98 -0.811 -27.020 9.930 1.00 0.00 C ATOM 1521 CD GLU A 98 -2.122 -26.640 10.645 1.00 0.00 C ATOM 1522 OE1 GLU A 98 -2.205 -26.757 11.889 1.00 0.00 O ATOM 1523 OE2 GLU A 98 -3.076 -26.202 9.964 1.00 0.00 O ATOM 0 H GLU A 98 1.619 -24.132 9.655 1.00 0.00 H new ATOM 0 HA GLU A 98 2.184 -26.946 10.081 1.00 0.00 H new ATOM 0 HB2 GLU A 98 0.425 -25.925 11.274 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -0.121 -25.007 9.884 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -0.986 -27.104 8.857 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -0.472 -27.997 10.275 1.00 0.00 H new ATOM 1530 N LEU A 99 1.494 -25.847 7.094 1.00 0.00 N ATOM 1531 CA LEU A 99 1.185 -26.183 5.711 1.00 0.00 C ATOM 1532 C LEU A 99 2.431 -26.262 4.825 1.00 0.00 C ATOM 1533 O LEU A 99 2.320 -26.762 3.705 1.00 0.00 O ATOM 1534 CB LEU A 99 0.156 -25.166 5.188 1.00 0.00 C ATOM 1535 CG LEU A 99 -1.190 -25.246 5.945 1.00 0.00 C ATOM 1536 CD1 LEU A 99 -2.063 -24.051 5.569 1.00 0.00 C ATOM 1537 CD2 LEU A 99 -1.972 -26.534 5.653 1.00 0.00 C ATOM 0 H LEU A 99 1.682 -24.855 7.238 1.00 0.00 H new ATOM 0 HA LEU A 99 0.759 -27.186 5.674 1.00 0.00 H new ATOM 0 HB2 LEU A 99 0.564 -24.160 5.283 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -0.017 -25.341 4.126 1.00 0.00 H new ATOM 0 HG LEU A 99 -0.948 -25.240 7.008 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -3.011 -24.110 6.104 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -1.551 -23.127 5.839 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -2.251 -24.061 4.495 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -2.906 -26.528 6.215 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -2.190 -26.593 4.587 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -1.376 -27.397 5.950 1.00 0.00 H new ATOM 1549 N VAL A 100 3.602 -25.825 5.299 1.00 0.00 N ATOM 1550 CA VAL A 100 4.883 -26.043 4.625 1.00 0.00 C ATOM 1551 C VAL A 100 5.116 -27.547 4.426 1.00 0.00 C ATOM 1552 O VAL A 100 4.772 -28.365 5.284 1.00 0.00 O ATOM 1553 CB VAL A 100 6.013 -25.379 5.447 1.00 0.00 C ATOM 1554 CG1 VAL A 100 7.428 -25.679 4.926 1.00 0.00 C ATOM 1555 CG2 VAL A 100 5.859 -23.853 5.455 1.00 0.00 C ATOM 0 H VAL A 100 3.686 -25.304 6.172 1.00 0.00 H new ATOM 0 HA VAL A 100 4.875 -25.583 3.637 1.00 0.00 H new ATOM 0 HB VAL A 100 5.910 -25.806 6.444 1.00 0.00 H new ATOM 0 HG11 VAL A 100 8.162 -25.177 5.557 1.00 0.00 H new ATOM 0 HG12 VAL A 100 7.604 -26.754 4.950 1.00 0.00 H new ATOM 0 HG13 VAL A 100 7.523 -25.318 3.902 1.00 0.00 H new ATOM 0 HG21 VAL A 100 6.665 -23.409 6.039 1.00 0.00 H new ATOM 0 HG22 VAL A 100 5.902 -23.478 4.433 1.00 0.00 H new ATOM 0 HG23 VAL A 100 4.900 -23.586 5.899 1.00 0.00 H new ATOM 1565 N GLY A 101 5.741 -27.900 3.299 1.00 0.00 N ATOM 1566 CA GLY A 101 6.244 -29.236 3.015 1.00 0.00 C ATOM 1567 C GLY A 101 5.307 -30.049 2.124 1.00 0.00 C ATOM 1568 O GLY A 101 5.700 -31.129 1.676 1.00 0.00 O ATOM 0 H GLY A 101 5.913 -27.240 2.540 1.00 0.00 H new ATOM 0 HA2 GLY A 101 7.218 -29.157 2.532 1.00 0.00 H new ATOM 0 HA3 GLY A 101 6.396 -29.768 3.954 1.00 0.00 H new ATOM 1572 N GLN A 102 4.088 -29.564 1.858 1.00 0.00 N ATOM 1573 CA GLN A 102 3.159 -30.248 0.965 1.00 0.00 C ATOM 1574 C GLN A 102 3.428 -29.821 -0.476 1.00 0.00 C ATOM 1575 O GLN A 102 3.944 -28.726 -0.725 1.00 0.00 O ATOM 1576 CB GLN A 102 1.701 -29.982 1.379 1.00 0.00 C ATOM 1577 CG GLN A 102 1.174 -28.595 0.983 1.00 0.00 C ATOM 1578 CD GLN A 102 -0.199 -28.338 1.596 1.00 0.00 C ATOM 1579 OE1 GLN A 102 -1.232 -28.744 1.069 1.00 0.00 O ATOM 1580 NE2 GLN A 102 -0.233 -27.673 2.735 1.00 0.00 N ATOM 0 H GLN A 102 3.726 -28.696 2.253 1.00 0.00 H new ATOM 0 HA GLN A 102 3.316 -31.324 1.038 1.00 0.00 H new ATOM 0 HB2 GLN A 102 1.063 -30.742 0.928 1.00 0.00 H new ATOM 0 HB3 GLN A 102 1.616 -30.095 2.460 1.00 0.00 H new ATOM 0 HG2 GLN A 102 1.874 -27.828 1.314 1.00 0.00 H new ATOM 0 HG3 GLN A 102 1.111 -28.522 -0.103 1.00 0.00 H new ATOM 0 HE21 GLN A 102 0.634 -27.343 3.159 1.00 0.00 H new ATOM 0 HE22 GLN A 102 -1.126 -27.489 3.192 1.00 0.00 H new ATOM 1589 N GLU A 103 2.998 -30.649 -1.423 1.00 0.00 N ATOM 1590 CA GLU A 103 2.966 -30.298 -2.833 1.00 0.00 C ATOM 1591 C GLU A 103 1.528 -29.920 -3.183 1.00 0.00 C ATOM 1592 O GLU A 103 0.579 -30.408 -2.560 1.00 0.00 O ATOM 1593 CB GLU A 103 3.445 -31.460 -3.722 1.00 0.00 C ATOM 1594 CG GLU A 103 4.655 -32.269 -3.226 1.00 0.00 C ATOM 1595 CD GLU A 103 4.965 -33.440 -4.178 1.00 0.00 C ATOM 1596 OE1 GLU A 103 5.370 -33.206 -5.338 1.00 0.00 O ATOM 1597 OE2 GLU A 103 4.804 -34.613 -3.769 1.00 0.00 O ATOM 0 H GLU A 103 2.659 -31.591 -1.228 1.00 0.00 H new ATOM 0 HA GLU A 103 3.644 -29.464 -3.015 1.00 0.00 H new ATOM 0 HB2 GLU A 103 2.611 -32.148 -3.858 1.00 0.00 H new ATOM 0 HB3 GLU A 103 3.688 -31.056 -4.705 1.00 0.00 H new ATOM 0 HG2 GLU A 103 5.526 -31.618 -3.150 1.00 0.00 H new ATOM 0 HG3 GLU A 103 4.455 -32.652 -2.225 1.00 0.00 H new ATOM 1604 N VAL A 104 1.358 -29.090 -4.208 1.00 0.00 N ATOM 1605 CA VAL A 104 0.078 -28.698 -4.753 1.00 0.00 C ATOM 1606 C VAL A 104 0.144 -28.862 -6.271 1.00 0.00 C ATOM 1607 O VAL A 104 1.194 -28.677 -6.892 1.00 0.00 O ATOM 1608 CB VAL A 104 -0.262 -27.265 -4.312 1.00 0.00 C ATOM 1609 CG1 VAL A 104 -0.588 -27.188 -2.813 1.00 0.00 C ATOM 1610 CG2 VAL A 104 0.820 -26.232 -4.642 1.00 0.00 C ATOM 0 H VAL A 104 2.144 -28.659 -4.695 1.00 0.00 H new ATOM 0 HA VAL A 104 -0.728 -29.329 -4.378 1.00 0.00 H new ATOM 0 HB VAL A 104 -1.145 -27.009 -4.897 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -0.822 -26.158 -2.544 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -1.445 -27.824 -2.594 1.00 0.00 H new ATOM 0 HG13 VAL A 104 0.272 -27.527 -2.236 1.00 0.00 H new ATOM 0 HG21 VAL A 104 0.501 -25.248 -4.298 1.00 0.00 H new ATOM 0 HG22 VAL A 104 1.750 -26.507 -4.144 1.00 0.00 H new ATOM 0 HG23 VAL A 104 0.980 -26.205 -5.720 1.00 0.00 H new ATOM 1620 N LEU A 105 -0.985 -29.216 -6.881 1.00 0.00 N ATOM 1621 CA LEU A 105 -1.045 -29.639 -8.278 1.00 0.00 C ATOM 1622 C LEU A 105 -1.598 -28.507 -9.149 1.00 0.00 C ATOM 1623 O LEU A 105 -2.451 -28.691 -10.022 1.00 0.00 O ATOM 1624 CB LEU A 105 -1.897 -30.905 -8.411 1.00 0.00 C ATOM 1625 CG LEU A 105 -1.396 -32.224 -7.782 1.00 0.00 C ATOM 1626 CD1 LEU A 105 0.027 -32.571 -8.232 1.00 0.00 C ATOM 1627 CD2 LEU A 105 -1.471 -32.262 -6.250 1.00 0.00 C ATOM 0 H LEU A 105 -1.892 -29.217 -6.415 1.00 0.00 H new ATOM 0 HA LEU A 105 -0.038 -29.871 -8.624 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -2.875 -30.688 -7.981 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -2.049 -31.087 -9.475 1.00 0.00 H new ATOM 0 HG LEU A 105 -2.090 -32.977 -8.154 1.00 0.00 H new ATOM 0 HD11 LEU A 105 0.338 -33.506 -7.765 1.00 0.00 H new ATOM 0 HD12 LEU A 105 0.049 -32.682 -9.316 1.00 0.00 H new ATOM 0 HD13 LEU A 105 0.707 -31.773 -7.935 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -1.100 -33.222 -5.891 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -0.860 -31.460 -5.836 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -2.506 -32.131 -5.933 1.00 0.00 H new ATOM 1639 N TYR A 106 -1.121 -27.313 -8.846 1.00 0.00 N ATOM 1640 CA TYR A 106 -1.303 -26.105 -9.629 1.00 0.00 C ATOM 1641 C TYR A 106 0.008 -25.325 -9.623 1.00 0.00 C ATOM 1642 O TYR A 106 0.759 -25.366 -8.645 1.00 0.00 O ATOM 1643 CB TYR A 106 -2.472 -25.276 -9.078 1.00 0.00 C ATOM 1644 CG TYR A 106 -2.442 -24.955 -7.587 1.00 0.00 C ATOM 1645 CD1 TYR A 106 -1.548 -23.995 -7.069 1.00 0.00 C ATOM 1646 CD2 TYR A 106 -3.342 -25.603 -6.717 1.00 0.00 C ATOM 1647 CE1 TYR A 106 -1.554 -23.681 -5.698 1.00 0.00 C ATOM 1648 CE2 TYR A 106 -3.361 -25.288 -5.347 1.00 0.00 C ATOM 1649 CZ TYR A 106 -2.469 -24.321 -4.831 1.00 0.00 C ATOM 1650 OH TYR A 106 -2.499 -24.018 -3.503 1.00 0.00 O ATOM 0 H TYR A 106 -0.568 -27.152 -8.004 1.00 0.00 H new ATOM 0 HA TYR A 106 -1.558 -26.355 -10.659 1.00 0.00 H new ATOM 0 HB2 TYR A 106 -2.511 -24.336 -9.628 1.00 0.00 H new ATOM 0 HB3 TYR A 106 -3.398 -25.809 -9.293 1.00 0.00 H new ATOM 0 HD1 TYR A 106 -0.854 -23.497 -7.730 1.00 0.00 H new ATOM 0 HD2 TYR A 106 -4.022 -26.347 -7.106 1.00 0.00 H new ATOM 0 HE1 TYR A 106 -0.860 -22.951 -5.308 1.00 0.00 H new ATOM 0 HE2 TYR A 106 -4.058 -25.785 -4.689 1.00 0.00 H new ATOM 0 HH TYR A 106 -3.191 -24.553 -3.061 1.00 0.00 H new ATOM 1660 N LYS A 107 0.296 -24.613 -10.713 1.00 0.00 N ATOM 1661 CA LYS A 107 1.428 -23.717 -10.822 1.00 0.00 C ATOM 1662 C LYS A 107 1.334 -22.590 -9.791 1.00 0.00 C ATOM 1663 O LYS A 107 0.238 -22.117 -9.483 1.00 0.00 O ATOM 1664 CB LYS A 107 1.399 -23.113 -12.232 1.00 0.00 C ATOM 1665 CG LYS A 107 2.809 -22.879 -12.762 1.00 0.00 C ATOM 1666 CD LYS A 107 2.852 -21.900 -13.948 1.00 0.00 C ATOM 1667 CE LYS A 107 2.023 -22.330 -15.171 1.00 0.00 C ATOM 1668 NZ LYS A 107 2.690 -23.377 -15.984 1.00 0.00 N ATOM 0 H LYS A 107 -0.270 -24.650 -11.560 1.00 0.00 H new ATOM 0 HA LYS A 107 2.352 -24.265 -10.640 1.00 0.00 H new ATOM 0 HB2 LYS A 107 0.861 -23.781 -12.905 1.00 0.00 H new ATOM 0 HB3 LYS A 107 0.853 -22.170 -12.215 1.00 0.00 H new ATOM 0 HG2 LYS A 107 3.434 -22.493 -11.957 1.00 0.00 H new ATOM 0 HG3 LYS A 107 3.238 -23.833 -13.070 1.00 0.00 H new ATOM 0 HD2 LYS A 107 2.497 -20.926 -13.610 1.00 0.00 H new ATOM 0 HD3 LYS A 107 3.889 -21.771 -14.257 1.00 0.00 H new ATOM 0 HE2 LYS A 107 1.055 -22.701 -14.835 1.00 0.00 H new ATOM 0 HE3 LYS A 107 1.831 -21.459 -15.797 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 2.085 -23.626 -16.793 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 3.602 -23.018 -16.331 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 2.850 -24.221 -15.399 1.00 0.00 H new ATOM 1682 N LEU A 108 2.480 -22.078 -9.349 1.00 0.00 N ATOM 1683 CA LEU A 108 2.600 -20.913 -8.475 1.00 0.00 C ATOM 1684 C LEU A 108 2.393 -19.587 -9.236 1.00 0.00 C ATOM 1685 O LEU A 108 3.272 -18.723 -9.261 1.00 0.00 O ATOM 1686 CB LEU A 108 3.917 -20.957 -7.673 1.00 0.00 C ATOM 1687 CG LEU A 108 5.244 -20.952 -8.466 1.00 0.00 C ATOM 1688 CD1 LEU A 108 6.330 -20.308 -7.599 1.00 0.00 C ATOM 1689 CD2 LEU A 108 5.690 -22.370 -8.849 1.00 0.00 C ATOM 0 H LEU A 108 3.385 -22.478 -9.599 1.00 0.00 H new ATOM 0 HA LEU A 108 1.789 -20.956 -7.748 1.00 0.00 H new ATOM 0 HB2 LEU A 108 3.927 -20.101 -6.998 1.00 0.00 H new ATOM 0 HB3 LEU A 108 3.901 -21.853 -7.052 1.00 0.00 H new ATOM 0 HG LEU A 108 5.087 -20.390 -9.387 1.00 0.00 H new ATOM 0 HD11 LEU A 108 7.273 -20.297 -8.145 1.00 0.00 H new ATOM 0 HD12 LEU A 108 6.041 -19.286 -7.354 1.00 0.00 H new ATOM 0 HD13 LEU A 108 6.450 -20.882 -6.680 1.00 0.00 H new ATOM 0 HD21 LEU A 108 6.626 -22.319 -9.405 1.00 0.00 H new ATOM 0 HD22 LEU A 108 5.836 -22.962 -7.945 1.00 0.00 H new ATOM 0 HD23 LEU A 108 4.925 -22.837 -9.469 1.00 0.00 H new ATOM 1701 N THR A 109 1.253 -19.429 -9.910 1.00 0.00 N ATOM 1702 CA THR A 109 0.848 -18.144 -10.476 1.00 0.00 C ATOM 1703 C THR A 109 0.610 -17.142 -9.338 1.00 0.00 C ATOM 1704 O THR A 109 0.313 -17.547 -8.211 1.00 0.00 O ATOM 1705 CB THR A 109 -0.431 -18.328 -11.311 1.00 0.00 C ATOM 1706 OG1 THR A 109 -1.389 -19.056 -10.566 1.00 0.00 O ATOM 1707 CG2 THR A 109 -0.151 -19.076 -12.616 1.00 0.00 C ATOM 0 H THR A 109 0.588 -20.184 -10.078 1.00 0.00 H new ATOM 0 HA THR A 109 1.634 -17.760 -11.126 1.00 0.00 H new ATOM 0 HB THR A 109 -0.810 -17.335 -11.554 1.00 0.00 H new ATOM 0 HG1 THR A 109 -2.202 -19.169 -11.101 1.00 0.00 H new ATOM 0 HG21 THR A 109 -1.078 -19.187 -13.178 1.00 0.00 H new ATOM 0 HG22 THR A 109 0.569 -18.514 -13.211 1.00 0.00 H new ATOM 0 HG23 THR A 109 0.256 -20.062 -12.390 1.00 0.00 H new ATOM 1715 N SER A 110 0.655 -15.838 -9.641 1.00 0.00 N ATOM 1716 CA SER A 110 0.297 -14.787 -8.689 1.00 0.00 C ATOM 1717 C SER A 110 -1.066 -15.102 -8.056 1.00 0.00 C ATOM 1718 O SER A 110 -1.203 -15.054 -6.835 1.00 0.00 O ATOM 1719 CB SER A 110 0.298 -13.434 -9.418 1.00 0.00 C ATOM 1720 OG SER A 110 0.063 -12.342 -8.545 1.00 0.00 O ATOM 0 H SER A 110 0.941 -15.485 -10.554 1.00 0.00 H new ATOM 0 HA SER A 110 1.026 -14.738 -7.880 1.00 0.00 H new ATOM 0 HB2 SER A 110 1.257 -13.295 -9.917 1.00 0.00 H new ATOM 0 HB3 SER A 110 -0.467 -13.444 -10.195 1.00 0.00 H new ATOM 0 HG SER A 110 0.075 -11.506 -9.056 1.00 0.00 H new ATOM 1726 N GLU A 111 -2.049 -15.506 -8.871 1.00 0.00 N ATOM 1727 CA GLU A 111 -3.398 -15.807 -8.407 1.00 0.00 C ATOM 1728 C GLU A 111 -3.406 -16.992 -7.438 1.00 0.00 C ATOM 1729 O GLU A 111 -4.076 -16.924 -6.407 1.00 0.00 O ATOM 1730 CB GLU A 111 -4.317 -16.093 -9.606 1.00 0.00 C ATOM 1731 CG GLU A 111 -4.517 -14.859 -10.498 1.00 0.00 C ATOM 1732 CD GLU A 111 -5.492 -15.150 -11.653 1.00 0.00 C ATOM 1733 OE1 GLU A 111 -6.721 -14.982 -11.479 1.00 0.00 O ATOM 1734 OE2 GLU A 111 -5.042 -15.530 -12.758 1.00 0.00 O ATOM 0 H GLU A 111 -1.924 -15.632 -9.875 1.00 0.00 H new ATOM 0 HA GLU A 111 -3.771 -14.935 -7.869 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -3.893 -16.903 -10.200 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -5.286 -16.437 -9.244 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -4.898 -14.033 -9.898 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -3.556 -14.542 -10.903 1.00 0.00 H new ATOM 1741 N ASN A 112 -2.669 -18.072 -7.724 1.00 0.00 N ATOM 1742 CA ASN A 112 -2.683 -19.246 -6.853 1.00 0.00 C ATOM 1743 C ASN A 112 -1.949 -18.969 -5.544 1.00 0.00 C ATOM 1744 O ASN A 112 -2.387 -19.436 -4.490 1.00 0.00 O ATOM 1745 CB ASN A 112 -2.078 -20.469 -7.554 1.00 0.00 C ATOM 1746 CG ASN A 112 -3.058 -21.147 -8.511 1.00 0.00 C ATOM 1747 OD1 ASN A 112 -4.266 -21.181 -8.282 1.00 0.00 O ATOM 1748 ND2 ASN A 112 -2.571 -21.703 -9.605 1.00 0.00 N ATOM 0 H ASN A 112 -2.064 -18.155 -8.541 1.00 0.00 H new ATOM 0 HA ASN A 112 -3.725 -19.467 -6.623 1.00 0.00 H new ATOM 0 HB2 ASN A 112 -1.190 -20.163 -8.107 1.00 0.00 H new ATOM 0 HB3 ASN A 112 -1.753 -21.189 -6.803 1.00 0.00 H new ATOM 0 HD21 ASN A 112 -3.197 -22.164 -10.265 1.00 0.00 H new ATOM 0 HD22 ASN A 112 -1.568 -21.672 -9.790 1.00 0.00 H new ATOM 1755 N CYS A 113 -0.857 -18.204 -5.582 1.00 0.00 N ATOM 1756 CA CYS A 113 -0.136 -17.840 -4.372 1.00 0.00 C ATOM 1757 C CYS A 113 -0.987 -16.902 -3.513 1.00 0.00 C ATOM 1758 O CYS A 113 -1.070 -17.104 -2.303 1.00 0.00 O ATOM 1759 CB CYS A 113 1.205 -17.199 -4.731 1.00 0.00 C ATOM 1760 SG CYS A 113 2.156 -18.328 -5.777 1.00 0.00 S ATOM 0 H CYS A 113 -0.456 -17.827 -6.441 1.00 0.00 H new ATOM 0 HA CYS A 113 0.065 -18.740 -3.791 1.00 0.00 H new ATOM 0 HB2 CYS A 113 1.041 -16.256 -5.252 1.00 0.00 H new ATOM 0 HB3 CYS A 113 1.764 -16.969 -3.824 1.00 0.00 H new ATOM 0 HG CYS A 113 1.663 -18.324 -6.980 1.00 0.00 H new ATOM 1766 N GLU A 114 -1.653 -15.920 -4.132 1.00 0.00 N ATOM 1767 CA GLU A 114 -2.578 -15.012 -3.463 1.00 0.00 C ATOM 1768 C GLU A 114 -3.688 -15.818 -2.781 1.00 0.00 C ATOM 1769 O GLU A 114 -3.991 -15.580 -1.610 1.00 0.00 O ATOM 1770 CB GLU A 114 -3.158 -14.020 -4.487 1.00 0.00 C ATOM 1771 CG GLU A 114 -4.148 -13.022 -3.868 1.00 0.00 C ATOM 1772 CD GLU A 114 -4.866 -12.204 -4.953 1.00 0.00 C ATOM 1773 OE1 GLU A 114 -5.877 -12.685 -5.514 1.00 0.00 O ATOM 1774 OE2 GLU A 114 -4.451 -11.057 -5.227 1.00 0.00 O ATOM 0 H GLU A 114 -1.559 -15.735 -5.131 1.00 0.00 H new ATOM 0 HA GLU A 114 -2.051 -14.443 -2.697 1.00 0.00 H new ATOM 0 HB2 GLU A 114 -2.341 -13.470 -4.953 1.00 0.00 H new ATOM 0 HB3 GLU A 114 -3.660 -14.577 -5.278 1.00 0.00 H new ATOM 0 HG2 GLU A 114 -4.883 -13.559 -3.268 1.00 0.00 H new ATOM 0 HG3 GLU A 114 -3.617 -12.350 -3.194 1.00 0.00 H new ATOM 1781 N HIS A 115 -4.266 -16.784 -3.502 1.00 0.00 N ATOM 1782 CA HIS A 115 -5.352 -17.633 -3.032 1.00 0.00 C ATOM 1783 C HIS A 115 -4.918 -18.376 -1.772 1.00 0.00 C ATOM 1784 O HIS A 115 -5.555 -18.231 -0.727 1.00 0.00 O ATOM 1785 CB HIS A 115 -5.762 -18.580 -4.175 1.00 0.00 C ATOM 1786 CG HIS A 115 -6.784 -19.634 -3.821 1.00 0.00 C ATOM 1787 ND1 HIS A 115 -8.135 -19.608 -4.185 1.00 0.00 N ATOM 1788 CD2 HIS A 115 -6.517 -20.815 -3.188 1.00 0.00 C ATOM 1789 CE1 HIS A 115 -8.654 -20.765 -3.733 1.00 0.00 C ATOM 1790 NE2 HIS A 115 -7.707 -21.504 -3.130 1.00 0.00 N ATOM 0 H HIS A 115 -3.978 -16.999 -4.457 1.00 0.00 H new ATOM 0 HA HIS A 115 -6.225 -17.040 -2.759 1.00 0.00 H new ATOM 0 HB2 HIS A 115 -6.156 -17.980 -4.995 1.00 0.00 H new ATOM 0 HB3 HIS A 115 -4.867 -19.079 -4.547 1.00 0.00 H new ATOM 0 HD2 HIS A 115 -5.561 -21.143 -2.808 1.00 0.00 H new ATOM 0 HE1 HIS A 115 -9.688 -21.059 -3.840 1.00 0.00 H new ATOM 0 HE2 HIS A 115 -7.846 -22.419 -2.702 1.00 0.00 H new ATOM 1798 N PHE A 116 -3.801 -19.111 -1.838 1.00 0.00 N ATOM 1799 CA PHE A 116 -3.301 -19.856 -0.691 1.00 0.00 C ATOM 1800 C PHE A 116 -3.035 -18.926 0.486 1.00 0.00 C ATOM 1801 O PHE A 116 -3.469 -19.200 1.603 1.00 0.00 O ATOM 1802 CB PHE A 116 -2.015 -20.606 -1.093 1.00 0.00 C ATOM 1803 CG PHE A 116 -1.099 -20.983 0.067 1.00 0.00 C ATOM 1804 CD1 PHE A 116 -1.266 -22.206 0.745 1.00 0.00 C ATOM 1805 CD2 PHE A 116 -0.093 -20.087 0.490 1.00 0.00 C ATOM 1806 CE1 PHE A 116 -0.439 -22.523 1.839 1.00 0.00 C ATOM 1807 CE2 PHE A 116 0.709 -20.386 1.605 1.00 0.00 C ATOM 1808 CZ PHE A 116 0.543 -21.614 2.271 1.00 0.00 C ATOM 0 H PHE A 116 -3.230 -19.202 -2.678 1.00 0.00 H new ATOM 0 HA PHE A 116 -4.056 -20.577 -0.378 1.00 0.00 H new ATOM 0 HB2 PHE A 116 -2.294 -21.515 -1.626 1.00 0.00 H new ATOM 0 HB3 PHE A 116 -1.454 -19.986 -1.792 1.00 0.00 H new ATOM 0 HD1 PHE A 116 -2.029 -22.901 0.426 1.00 0.00 H new ATOM 0 HD2 PHE A 116 0.062 -19.163 -0.048 1.00 0.00 H new ATOM 0 HE1 PHE A 116 -0.559 -23.468 2.348 1.00 0.00 H new ATOM 0 HE2 PHE A 116 1.448 -19.677 1.948 1.00 0.00 H new ATOM 0 HZ PHE A 116 1.171 -21.859 3.115 1.00 0.00 H new ATOM 1818 N VAL A 117 -2.315 -17.832 0.251 1.00 0.00 N ATOM 1819 CA VAL A 117 -1.833 -17.016 1.352 1.00 0.00 C ATOM 1820 C VAL A 117 -2.995 -16.270 2.029 1.00 0.00 C ATOM 1821 O VAL A 117 -2.971 -16.060 3.244 1.00 0.00 O ATOM 1822 CB VAL A 117 -0.665 -16.136 0.863 1.00 0.00 C ATOM 1823 CG1 VAL A 117 -1.094 -14.826 0.194 1.00 0.00 C ATOM 1824 CG2 VAL A 117 0.275 -15.846 2.015 1.00 0.00 C ATOM 0 H VAL A 117 -2.058 -17.497 -0.678 1.00 0.00 H new ATOM 0 HA VAL A 117 -1.419 -17.635 2.148 1.00 0.00 H new ATOM 0 HB VAL A 117 -0.160 -16.712 0.087 1.00 0.00 H new ATOM 0 HG11 VAL A 117 -0.210 -14.271 -0.119 1.00 0.00 H new ATOM 0 HG12 VAL A 117 -1.710 -15.047 -0.677 1.00 0.00 H new ATOM 0 HG13 VAL A 117 -1.667 -14.227 0.901 1.00 0.00 H new ATOM 0 HG21 VAL A 117 1.099 -15.224 1.665 1.00 0.00 H new ATOM 0 HG22 VAL A 117 -0.266 -15.322 2.803 1.00 0.00 H new ATOM 0 HG23 VAL A 117 0.670 -16.783 2.407 1.00 0.00 H new ATOM 1834 N ASN A 118 -4.050 -15.923 1.280 1.00 0.00 N ATOM 1835 CA ASN A 118 -5.239 -15.298 1.853 1.00 0.00 C ATOM 1836 C ASN A 118 -5.973 -16.282 2.758 1.00 0.00 C ATOM 1837 O ASN A 118 -6.484 -15.879 3.802 1.00 0.00 O ATOM 1838 CB ASN A 118 -6.167 -14.725 0.768 1.00 0.00 C ATOM 1839 CG ASN A 118 -5.759 -13.305 0.390 1.00 0.00 C ATOM 1840 OD1 ASN A 118 -6.465 -12.343 0.673 1.00 0.00 O ATOM 1841 ND2 ASN A 118 -4.588 -13.131 -0.200 1.00 0.00 N ATOM 0 H ASN A 118 -4.099 -16.067 0.271 1.00 0.00 H new ATOM 0 HA ASN A 118 -4.913 -14.454 2.461 1.00 0.00 H new ATOM 0 HB2 ASN A 118 -6.136 -15.363 -0.115 1.00 0.00 H new ATOM 0 HB3 ASN A 118 -7.196 -14.728 1.127 1.00 0.00 H new ATOM 0 HD21 ASN A 118 -4.265 -12.190 -0.424 1.00 0.00 H new ATOM 0 HD22 ASN A 118 -4.008 -13.938 -0.431 1.00 0.00 H new ATOM 1848 N GLU A 119 -5.946 -17.575 2.432 1.00 0.00 N ATOM 1849 CA GLU A 119 -6.441 -18.632 3.298 1.00 0.00 C ATOM 1850 C GLU A 119 -5.770 -18.613 4.677 1.00 0.00 C ATOM 1851 O GLU A 119 -6.400 -18.983 5.665 1.00 0.00 O ATOM 1852 CB GLU A 119 -6.245 -19.991 2.602 1.00 0.00 C ATOM 1853 CG GLU A 119 -7.441 -20.902 2.849 1.00 0.00 C ATOM 1854 CD GLU A 119 -7.196 -22.331 2.337 1.00 0.00 C ATOM 1855 OE1 GLU A 119 -7.476 -22.615 1.150 1.00 0.00 O ATOM 1856 OE2 GLU A 119 -6.749 -23.193 3.128 1.00 0.00 O ATOM 0 H GLU A 119 -5.574 -17.916 1.546 1.00 0.00 H new ATOM 0 HA GLU A 119 -7.504 -18.464 3.473 1.00 0.00 H new ATOM 0 HB2 GLU A 119 -6.112 -19.840 1.531 1.00 0.00 H new ATOM 0 HB3 GLU A 119 -5.337 -20.467 2.972 1.00 0.00 H new ATOM 0 HG2 GLU A 119 -7.658 -20.932 3.917 1.00 0.00 H new ATOM 0 HG3 GLU A 119 -8.320 -20.487 2.356 1.00 0.00 H new ATOM 1863 N LEU A 120 -4.517 -18.158 4.771 1.00 0.00 N ATOM 1864 CA LEU A 120 -3.795 -18.085 6.032 1.00 0.00 C ATOM 1865 C LEU A 120 -4.197 -16.833 6.801 1.00 0.00 C ATOM 1866 O LEU A 120 -4.511 -16.919 7.985 1.00 0.00 O ATOM 1867 CB LEU A 120 -2.276 -18.061 5.811 1.00 0.00 C ATOM 1868 CG LEU A 120 -1.744 -19.147 4.867 1.00 0.00 C ATOM 1869 CD1 LEU A 120 -0.239 -18.959 4.723 1.00 0.00 C ATOM 1870 CD2 LEU A 120 -2.039 -20.560 5.363 1.00 0.00 C ATOM 0 H LEU A 120 -3.979 -17.830 3.969 1.00 0.00 H new ATOM 0 HA LEU A 120 -4.054 -18.976 6.604 1.00 0.00 H new ATOM 0 HB2 LEU A 120 -1.997 -17.085 5.413 1.00 0.00 H new ATOM 0 HB3 LEU A 120 -1.781 -18.165 6.777 1.00 0.00 H new ATOM 0 HG LEU A 120 -2.252 -19.040 3.908 1.00 0.00 H new ATOM 0 HD11 LEU A 120 0.161 -19.722 4.055 1.00 0.00 H new ATOM 0 HD12 LEU A 120 -0.034 -17.971 4.310 1.00 0.00 H new ATOM 0 HD13 LEU A 120 0.234 -19.049 5.701 1.00 0.00 H new ATOM 0 HD21 LEU A 120 -1.639 -21.285 4.654 1.00 0.00 H new ATOM 0 HD22 LEU A 120 -1.572 -20.709 6.337 1.00 0.00 H new ATOM 0 HD23 LEU A 120 -3.117 -20.697 5.453 1.00 0.00 H new ATOM 1882 N ARG A 121 -4.170 -15.665 6.145 1.00 0.00 N ATOM 1883 CA ARG A 121 -4.419 -14.391 6.819 1.00 0.00 C ATOM 1884 C ARG A 121 -5.890 -14.241 7.212 1.00 0.00 C ATOM 1885 O ARG A 121 -6.167 -13.649 8.255 1.00 0.00 O ATOM 1886 CB ARG A 121 -3.915 -13.229 5.940 1.00 0.00 C ATOM 1887 CG ARG A 121 -4.176 -11.818 6.505 1.00 0.00 C ATOM 1888 CD ARG A 121 -3.548 -11.577 7.879 1.00 0.00 C ATOM 1889 NE ARG A 121 -3.893 -10.245 8.414 1.00 0.00 N ATOM 1890 CZ ARG A 121 -3.046 -9.320 8.884 1.00 0.00 C ATOM 1891 NH1 ARG A 121 -1.737 -9.550 8.957 1.00 0.00 N ATOM 1892 NH2 ARG A 121 -3.544 -8.157 9.286 1.00 0.00 N ATOM 0 H ARG A 121 -3.978 -15.580 5.147 1.00 0.00 H new ATOM 0 HA ARG A 121 -3.858 -14.368 7.754 1.00 0.00 H new ATOM 0 HB2 ARG A 121 -2.843 -13.349 5.787 1.00 0.00 H new ATOM 0 HB3 ARG A 121 -4.387 -13.304 4.961 1.00 0.00 H new ATOM 0 HG2 ARG A 121 -3.788 -11.079 5.804 1.00 0.00 H new ATOM 0 HG3 ARG A 121 -5.252 -11.658 6.575 1.00 0.00 H new ATOM 0 HD2 ARG A 121 -3.886 -12.346 8.573 1.00 0.00 H new ATOM 0 HD3 ARG A 121 -2.464 -11.669 7.805 1.00 0.00 H new ATOM 0 HE ARG A 121 -4.884 -10.003 8.427 1.00 0.00 H new ATOM 0 HH11 ARG A 121 -1.359 -10.447 8.651 1.00 0.00 H new ATOM 0 HH12 ARG A 121 -1.112 -8.830 9.319 1.00 0.00 H new ATOM 0 HH21 ARG A 121 -4.548 -7.986 9.232 1.00 0.00 H new ATOM 0 HH22 ARG A 121 -2.922 -7.434 9.648 1.00 0.00 H new ATOM 1906 N TYR A 122 -6.823 -14.781 6.422 1.00 0.00 N ATOM 1907 CA TYR A 122 -8.255 -14.523 6.593 1.00 0.00 C ATOM 1908 C TYR A 122 -9.079 -15.813 6.689 1.00 0.00 C ATOM 1909 O TYR A 122 -10.308 -15.749 6.702 1.00 0.00 O ATOM 1910 CB TYR A 122 -8.783 -13.605 5.471 1.00 0.00 C ATOM 1911 CG TYR A 122 -7.925 -12.394 5.130 1.00 0.00 C ATOM 1912 CD1 TYR A 122 -8.042 -11.185 5.847 1.00 0.00 C ATOM 1913 CD2 TYR A 122 -7.006 -12.482 4.068 1.00 0.00 C ATOM 1914 CE1 TYR A 122 -7.226 -10.084 5.518 1.00 0.00 C ATOM 1915 CE2 TYR A 122 -6.177 -11.396 3.747 1.00 0.00 C ATOM 1916 CZ TYR A 122 -6.278 -10.192 4.476 1.00 0.00 C ATOM 1917 OH TYR A 122 -5.434 -9.160 4.194 1.00 0.00 O ATOM 0 H TYR A 122 -6.607 -15.408 5.647 1.00 0.00 H new ATOM 0 HA TYR A 122 -8.374 -14.008 7.546 1.00 0.00 H new ATOM 0 HB2 TYR A 122 -8.904 -14.203 4.568 1.00 0.00 H new ATOM 0 HB3 TYR A 122 -9.774 -13.253 5.755 1.00 0.00 H new ATOM 0 HD1 TYR A 122 -8.759 -11.103 6.650 1.00 0.00 H new ATOM 0 HD2 TYR A 122 -6.938 -13.394 3.494 1.00 0.00 H new ATOM 0 HE1 TYR A 122 -7.325 -9.157 6.063 1.00 0.00 H new ATOM 0 HE2 TYR A 122 -5.462 -11.482 2.942 1.00 0.00 H new ATOM 0 HH TYR A 122 -4.849 -9.410 3.448 1.00 0.00 H new ATOM 1927 N GLY A 123 -8.444 -16.987 6.749 1.00 0.00 N ATOM 1928 CA GLY A 123 -9.120 -18.266 6.954 1.00 0.00 C ATOM 1929 C GLY A 123 -9.638 -18.876 5.649 1.00 0.00 C ATOM 1930 O GLY A 123 -9.772 -20.097 5.560 1.00 0.00 O ATOM 0 H GLY A 123 -7.432 -17.074 6.655 1.00 0.00 H new ATOM 0 HA2 GLY A 123 -8.431 -18.965 7.428 1.00 0.00 H new ATOM 0 HA3 GLY A 123 -9.955 -18.125 7.641 1.00 0.00 H new ATOM 1934 N VAL A 124 -9.891 -18.055 4.627 1.00 0.00 N ATOM 1935 CA VAL A 124 -10.371 -18.438 3.315 1.00 0.00 C ATOM 1936 C VAL A 124 -9.697 -17.526 2.281 1.00 0.00 C ATOM 1937 O VAL A 124 -9.494 -16.337 2.549 1.00 0.00 O ATOM 1938 CB VAL A 124 -11.908 -18.299 3.264 1.00 0.00 C ATOM 1939 CG1 VAL A 124 -12.606 -19.511 3.901 1.00 0.00 C ATOM 1940 CG2 VAL A 124 -12.471 -17.017 3.905 1.00 0.00 C ATOM 0 H VAL A 124 -9.755 -17.047 4.707 1.00 0.00 H new ATOM 0 HA VAL A 124 -10.125 -19.477 3.097 1.00 0.00 H new ATOM 0 HB VAL A 124 -12.125 -18.242 2.197 1.00 0.00 H new ATOM 0 HG11 VAL A 124 -13.687 -19.378 3.847 1.00 0.00 H new ATOM 0 HG12 VAL A 124 -12.324 -20.417 3.364 1.00 0.00 H new ATOM 0 HG13 VAL A 124 -12.303 -19.599 4.944 1.00 0.00 H new ATOM 0 HG21 VAL A 124 -13.558 -17.014 3.818 1.00 0.00 H new ATOM 0 HG22 VAL A 124 -12.191 -16.983 4.958 1.00 0.00 H new ATOM 0 HG23 VAL A 124 -12.063 -16.145 3.393 1.00 0.00 H new ATOM 1950 N ALA A 125 -9.326 -18.087 1.123 1.00 0.00 N ATOM 1951 CA ALA A 125 -8.895 -17.318 -0.035 1.00 0.00 C ATOM 1952 C ALA A 125 -9.897 -16.203 -0.351 1.00 0.00 C ATOM 1953 O ALA A 125 -9.458 -15.086 -0.691 1.00 0.00 O ATOM 1954 CB ALA A 125 -8.750 -18.247 -1.238 1.00 0.00 C ATOM 1955 OXT ALA A 125 -11.121 -16.461 -0.318 1.00 0.00 O ATOM 0 H ALA A 125 -9.319 -19.095 0.970 1.00 0.00 H new ATOM 0 HA ALA A 125 -7.933 -16.858 0.188 1.00 0.00 H new ATOM 0 HB1 ALA A 125 -8.427 -17.671 -2.105 1.00 0.00 H new ATOM 0 HB2 ALA A 125 -8.010 -19.016 -1.017 1.00 0.00 H new ATOM 0 HB3 ALA A 125 -9.709 -18.718 -1.452 1.00 0.00 H new