USER MOD reduce.3.24.130724 H: found=0, std=0, add=783, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 781 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 65 TYR OH : rot 180:sc= -0.252 USER MOD Set 1.2: B 141 MET CE :methyl -147:sc= -0.876 (180deg=-2.7!) USER MOD Set 2.1: A 20 HIS : no HD1:sc= -0.322 K(o=-0.66,f=-1.3) USER MOD Set 2.2: A 24 GLN : amide:sc= -0.34 K(o=-0.66,f=-1.3!) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 2.4 (180deg=2.4) USER MOD Single : A 7 HIS :FLIP no HE2:sc= 0.336 F(o=-1.3,f=0.34) USER MOD Single : A 9 HIS : no HD1:sc= -0.175 X(o=-0.18,f=0) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 GLN :FLIP amide:sc= -0.813 F(o=-1.8!,f=-0.81) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 17 HIS : no HE2:sc= 0 X(o=0,f=-0.12) USER MOD Single : A 21 LYS NZ :NH3+ -165:sc= -0.0779 (180deg=-0.33) USER MOD Single : A 29 THR OG1 : rot -102:sc= 0.302 USER MOD Single : A 36 LYS NZ :NH3+ -144:sc= -1.56! (180deg=-3.74!) USER MOD Single : A 40 MET CE :methyl 163:sc= -4.15! (180deg=-4.53!) USER MOD Single : A 42 ASN :FLIP amide:sc= 0 F(o=-1.9!,f=0) USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0718) USER MOD Single : A 49 LYS NZ :NH3+ 161:sc= -0.0499 (180deg=-0.346) USER MOD Single : A 54 MET CE :methyl 166:sc= -1.61! (180deg=-2.83!) USER MOD Single : A 55 TYR OH : rot 180:sc= -1.15 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 ASN : amide:sc= 0.377 X(o=0.38,f=0) USER MOD Single : A 60 SER OG : rot 180:sc= -0.0108 USER MOD Single : A 64 TYR OH : rot 38:sc= 0.552 USER MOD Single : A 66 HIS : no HD1:sc= -0.188 X(o=-0.19,f=-0.0032) USER MOD Single : A 71 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00947) USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 GLN : amide:sc= -1.62! C(o=-1.6!,f=-1.3!) USER MOD Single : A 77 LYS NZ :NH3+ 138:sc= 1.08 (180deg=-0.272) USER MOD Single : A 82 LYS NZ :NH3+ 169:sc= 0.651 (180deg=0.538) USER MOD Single : B 116 THR OG1 : rot 180:sc= 0 USER MOD Single : B 117 SER OG : rot -162:sc= 0.493 USER MOD Single : B 143 SER OG : rot 180:sc= 0 USER MOD Single : B 147 SER OG : rot -80:sc= 1.19 USER MOD ----------------------------------------------------------------- ATOM 50 N LYS A 4 -19.470 5.652 10.132 1.00 0.00 N ATOM 51 CA LYS A 4 -19.274 5.823 8.734 1.00 0.00 C ATOM 52 C LYS A 4 -19.765 4.624 7.943 1.00 0.00 C ATOM 53 O LYS A 4 -19.019 3.685 7.648 1.00 0.00 O ATOM 54 CB LYS A 4 -17.846 6.270 8.377 1.00 0.00 C ATOM 55 CG LYS A 4 -16.702 5.438 8.971 1.00 0.00 C ATOM 56 CD LYS A 4 -15.344 6.091 8.695 1.00 0.00 C ATOM 57 CE LYS A 4 -15.212 7.431 9.414 1.00 0.00 C ATOM 58 NZ LYS A 4 -13.963 8.128 9.091 1.00 0.00 N ATOM 0 HA LYS A 4 -19.903 6.658 8.424 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -17.747 6.261 7.292 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -17.721 7.303 8.700 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -16.846 5.332 10.046 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -16.719 4.434 8.546 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -14.545 5.423 9.018 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -15.221 6.239 7.622 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -16.057 8.066 9.147 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -15.264 7.267 10.490 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -13.926 9.031 9.606 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -13.154 7.537 9.369 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -13.922 8.311 8.068 1.00 0.00 H new ATOM 72 N GLY A 5 -21.040 4.687 7.599 1.00 0.00 N ATOM 73 CA GLY A 5 -21.750 3.620 6.913 1.00 0.00 C ATOM 74 C GLY A 5 -21.262 3.328 5.516 1.00 0.00 C ATOM 75 O GLY A 5 -21.742 2.388 4.871 1.00 0.00 O ATOM 0 H GLY A 5 -21.624 5.500 7.793 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -21.671 2.710 7.508 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -22.808 3.879 6.866 1.00 0.00 H new ATOM 79 N TRP A 6 -20.295 4.096 5.035 1.00 0.00 N ATOM 80 CA TRP A 6 -19.722 3.840 3.737 1.00 0.00 C ATOM 81 C TRP A 6 -18.922 2.538 3.745 1.00 0.00 C ATOM 82 O TRP A 6 -18.540 2.035 2.691 1.00 0.00 O ATOM 83 CB TRP A 6 -18.871 5.010 3.223 1.00 0.00 C ATOM 84 CG TRP A 6 -17.678 5.362 4.055 1.00 0.00 C ATOM 85 CD1 TRP A 6 -17.605 6.337 4.982 1.00 0.00 C ATOM 86 CD2 TRP A 6 -16.380 4.755 4.016 1.00 0.00 C ATOM 87 NE1 TRP A 6 -16.344 6.402 5.498 1.00 0.00 N ATOM 88 CE2 TRP A 6 -15.582 5.434 4.933 1.00 0.00 C ATOM 89 CE3 TRP A 6 -15.820 3.709 3.295 1.00 0.00 C ATOM 90 CZ2 TRP A 6 -14.264 5.111 5.147 1.00 0.00 C ATOM 91 CZ3 TRP A 6 -14.500 3.387 3.512 1.00 0.00 C ATOM 92 CH2 TRP A 6 -13.739 4.084 4.427 1.00 0.00 C ATOM 0 H TRP A 6 -19.897 4.896 5.527 1.00 0.00 H new ATOM 0 HA TRP A 6 -20.553 3.733 3.040 1.00 0.00 H new ATOM 0 HB2 TRP A 6 -18.530 4.772 2.215 1.00 0.00 H new ATOM 0 HB3 TRP A 6 -19.508 5.891 3.144 1.00 0.00 H new ATOM 0 HD1 TRP A 6 -18.426 6.975 5.274 1.00 0.00 H new ATOM 0 HE1 TRP A 6 -16.025 7.072 6.198 1.00 0.00 H new ATOM 0 HE3 TRP A 6 -16.410 3.158 2.577 1.00 0.00 H new ATOM 0 HZ2 TRP A 6 -13.665 5.654 5.863 1.00 0.00 H new ATOM 0 HZ3 TRP A 6 -14.053 2.576 2.957 1.00 0.00 H new ATOM 0 HH2 TRP A 6 -12.705 3.808 4.575 1.00 0.00 H new ATOM 103 N HIS A 7 -18.670 1.992 4.946 1.00 0.00 N ATOM 104 CA HIS A 7 -17.981 0.705 5.082 1.00 0.00 C ATOM 105 C HIS A 7 -18.787 -0.409 4.391 1.00 0.00 C ATOM 106 O HIS A 7 -18.232 -1.409 3.933 1.00 0.00 O ATOM 107 CB HIS A 7 -17.716 0.337 6.566 1.00 0.00 C ATOM 108 CG HIS A 7 -18.933 -0.018 7.395 1.00 0.00 C ATOM 109 ND1 HIS A 7 -19.782 0.772 8.085 1.00 0.00 N flip ATOM 110 CD2 HIS A 7 -19.368 -1.313 7.609 1.00 0.00 C flip ATOM 111 CE1 HIS A 7 -20.735 -0.016 8.722 1.00 0.00 C flip ATOM 112 NE2 HIS A 7 -20.438 -1.266 8.403 1.00 0.00 N flip ATOM 0 H HIS A 7 -18.933 2.423 5.832 1.00 0.00 H new ATOM 0 HA HIS A 7 -17.011 0.803 4.594 1.00 0.00 H new ATOM 0 HB2 HIS A 7 -17.026 -0.506 6.592 1.00 0.00 H new ATOM 0 HB3 HIS A 7 -17.210 1.177 7.042 1.00 0.00 H new ATOM 0 HD1 HIS A 7 -19.733 1.790 8.132 1.00 0.00 H new ATOM 0 HD2 HIS A 7 -18.919 -2.207 7.203 1.00 0.00 H new ATOM 0 HE1 HIS A 7 -21.548 0.322 9.347 1.00 0.00 H new ATOM 120 N GLU A 8 -20.096 -0.199 4.274 1.00 0.00 N ATOM 121 CA GLU A 8 -20.970 -1.158 3.627 1.00 0.00 C ATOM 122 C GLU A 8 -20.845 -1.062 2.115 1.00 0.00 C ATOM 123 O GLU A 8 -21.430 -1.839 1.385 1.00 0.00 O ATOM 124 CB GLU A 8 -22.427 -0.946 4.043 1.00 0.00 C ATOM 125 CG GLU A 8 -22.668 -1.137 5.519 1.00 0.00 C ATOM 126 CD GLU A 8 -24.134 -1.078 5.893 1.00 0.00 C ATOM 127 OE1 GLU A 8 -24.820 -2.125 5.820 1.00 0.00 O ATOM 128 OE2 GLU A 8 -24.629 0.003 6.269 1.00 0.00 O ATOM 0 H GLU A 8 -20.571 0.633 4.623 1.00 0.00 H new ATOM 0 HA GLU A 8 -20.662 -2.154 3.946 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -22.734 0.061 3.761 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -23.059 -1.639 3.488 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -22.259 -2.099 5.826 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -22.127 -0.369 6.072 1.00 0.00 H new ATOM 135 N HIS A 9 -20.076 -0.109 1.660 1.00 0.00 N ATOM 136 CA HIS A 9 -19.902 0.137 0.245 1.00 0.00 C ATOM 137 C HIS A 9 -18.495 -0.210 -0.188 1.00 0.00 C ATOM 138 O HIS A 9 -18.066 0.126 -1.297 1.00 0.00 O ATOM 139 CB HIS A 9 -20.164 1.599 -0.070 1.00 0.00 C ATOM 140 CG HIS A 9 -21.575 2.048 0.127 1.00 0.00 C ATOM 141 ND1 HIS A 9 -22.470 2.238 -0.897 1.00 0.00 N ATOM 142 CD2 HIS A 9 -22.231 2.376 1.261 1.00 0.00 C ATOM 143 CE1 HIS A 9 -23.609 2.672 -0.375 1.00 0.00 C ATOM 144 NE2 HIS A 9 -23.520 2.773 0.944 1.00 0.00 N ATOM 0 H HIS A 9 -19.548 0.524 2.260 1.00 0.00 H new ATOM 0 HA HIS A 9 -20.612 -0.490 -0.294 1.00 0.00 H new ATOM 0 HB2 HIS A 9 -19.514 2.211 0.555 1.00 0.00 H new ATOM 0 HB3 HIS A 9 -19.881 1.788 -1.105 1.00 0.00 H new ATOM 0 HD2 HIS A 9 -21.816 2.335 2.257 1.00 0.00 H new ATOM 0 HE1 HIS A 9 -24.492 2.912 -0.948 1.00 0.00 H new ATOM 0 HE2 HIS A 9 -24.248 3.079 1.590 1.00 0.00 H new ATOM 152 N VAL A 10 -17.777 -0.850 0.687 1.00 0.00 N ATOM 153 CA VAL A 10 -16.428 -1.234 0.419 1.00 0.00 C ATOM 154 C VAL A 10 -16.190 -2.643 0.954 1.00 0.00 C ATOM 155 O VAL A 10 -16.202 -2.895 2.160 1.00 0.00 O ATOM 156 CB VAL A 10 -15.428 -0.175 1.002 1.00 0.00 C ATOM 157 CG1 VAL A 10 -15.637 0.087 2.471 1.00 0.00 C ATOM 158 CG2 VAL A 10 -13.986 -0.515 0.695 1.00 0.00 C ATOM 0 H VAL A 10 -18.115 -1.120 1.611 1.00 0.00 H new ATOM 0 HA VAL A 10 -16.249 -1.258 -0.656 1.00 0.00 H new ATOM 0 HB VAL A 10 -15.656 0.758 0.487 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -14.915 0.828 2.815 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -16.647 0.462 2.634 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -15.500 -0.839 3.029 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -13.334 0.248 1.120 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -13.740 -1.484 1.129 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -13.843 -0.554 -0.385 1.00 0.00 H new ATOM 168 N THR A 11 -16.030 -3.551 0.047 1.00 0.00 N ATOM 169 CA THR A 11 -15.864 -4.942 0.359 1.00 0.00 C ATOM 170 C THR A 11 -14.420 -5.220 0.748 1.00 0.00 C ATOM 171 O THR A 11 -13.501 -4.478 0.342 1.00 0.00 O ATOM 172 CB THR A 11 -16.210 -5.771 -0.885 1.00 0.00 C ATOM 173 OG1 THR A 11 -17.418 -5.258 -1.458 1.00 0.00 O ATOM 174 CG2 THR A 11 -16.415 -7.242 -0.539 1.00 0.00 C ATOM 0 H THR A 11 -16.010 -3.347 -0.952 1.00 0.00 H new ATOM 0 HA THR A 11 -16.518 -5.207 1.190 1.00 0.00 H new ATOM 0 HB THR A 11 -15.380 -5.698 -1.588 1.00 0.00 H new ATOM 0 HG1 THR A 11 -17.649 -5.779 -2.255 1.00 0.00 H new ATOM 0 HG21 THR A 11 -16.658 -7.798 -1.444 1.00 0.00 H new ATOM 0 HG22 THR A 11 -15.501 -7.644 -0.101 1.00 0.00 H new ATOM 0 HG23 THR A 11 -17.232 -7.337 0.176 1.00 0.00 H new ATOM 182 N GLN A 12 -14.228 -6.292 1.508 1.00 0.00 N ATOM 183 CA GLN A 12 -12.928 -6.772 1.925 1.00 0.00 C ATOM 184 C GLN A 12 -12.007 -6.932 0.722 1.00 0.00 C ATOM 185 O GLN A 12 -10.851 -6.605 0.795 1.00 0.00 O ATOM 186 CB GLN A 12 -13.101 -8.085 2.728 1.00 0.00 C ATOM 187 CG GLN A 12 -11.824 -8.799 3.198 1.00 0.00 C ATOM 188 CD GLN A 12 -11.092 -9.607 2.119 1.00 0.00 C ATOM 189 OE1 GLN A 12 -11.817 -10.124 1.151 1.00 0.00 O flip ATOM 190 NE2 GLN A 12 -9.873 -9.757 2.166 1.00 0.00 N flip ATOM 0 H GLN A 12 -14.998 -6.863 1.858 1.00 0.00 H new ATOM 0 HA GLN A 12 -12.452 -6.043 2.581 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -13.707 -7.865 3.607 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -13.671 -8.783 2.114 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -11.137 -8.054 3.600 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -12.082 -9.469 4.018 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -9.337 -9.344 2.929 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -9.397 -10.295 1.442 1.00 0.00 H new ATOM 199 N ASP A 13 -12.551 -7.385 -0.390 1.00 0.00 N ATOM 200 CA ASP A 13 -11.761 -7.567 -1.604 1.00 0.00 C ATOM 201 C ASP A 13 -11.138 -6.271 -2.104 1.00 0.00 C ATOM 202 O ASP A 13 -9.984 -6.272 -2.489 1.00 0.00 O ATOM 203 CB ASP A 13 -12.559 -8.213 -2.727 1.00 0.00 C ATOM 204 CG ASP A 13 -12.908 -9.647 -2.490 1.00 0.00 C ATOM 205 OD1 ASP A 13 -12.051 -10.524 -2.705 1.00 0.00 O ATOM 206 OD2 ASP A 13 -14.051 -9.931 -2.087 1.00 0.00 O ATOM 0 H ASP A 13 -13.535 -7.635 -0.484 1.00 0.00 H new ATOM 0 HA ASP A 13 -10.956 -8.243 -1.316 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -13.479 -7.647 -2.875 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -11.987 -8.139 -3.652 1.00 0.00 H new ATOM 211 N LEU A 14 -11.879 -5.147 -2.004 1.00 0.00 N ATOM 212 CA LEU A 14 -11.401 -3.851 -2.534 1.00 0.00 C ATOM 213 C LEU A 14 -10.271 -3.401 -1.667 1.00 0.00 C ATOM 214 O LEU A 14 -9.185 -3.092 -2.131 1.00 0.00 O ATOM 215 CB LEU A 14 -12.566 -2.799 -2.521 1.00 0.00 C ATOM 216 CG LEU A 14 -12.324 -1.354 -3.103 1.00 0.00 C ATOM 217 CD1 LEU A 14 -11.502 -0.480 -2.180 1.00 0.00 C ATOM 218 CD2 LEU A 14 -11.667 -1.396 -4.469 1.00 0.00 C ATOM 0 H LEU A 14 -12.800 -5.109 -1.567 1.00 0.00 H new ATOM 0 HA LEU A 14 -11.065 -3.955 -3.566 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -13.403 -3.234 -3.068 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -12.888 -2.683 -1.486 1.00 0.00 H new ATOM 0 HG LEU A 14 -13.316 -0.912 -3.197 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -11.368 0.502 -2.633 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -12.018 -0.372 -1.226 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -10.528 -0.940 -2.016 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -11.519 -0.379 -4.833 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -10.703 -1.899 -4.394 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -12.307 -1.940 -5.164 1.00 0.00 H new ATOM 230 N ARG A 15 -10.526 -3.430 -0.403 1.00 0.00 N ATOM 231 CA ARG A 15 -9.579 -2.994 0.559 1.00 0.00 C ATOM 232 C ARG A 15 -8.341 -3.858 0.598 1.00 0.00 C ATOM 233 O ARG A 15 -7.243 -3.350 0.525 1.00 0.00 O ATOM 234 CB ARG A 15 -10.226 -2.834 1.902 1.00 0.00 C ATOM 235 CG ARG A 15 -11.024 -3.980 2.400 1.00 0.00 C ATOM 236 CD ARG A 15 -11.889 -3.519 3.523 1.00 0.00 C ATOM 237 NE ARG A 15 -11.085 -2.791 4.522 1.00 0.00 N ATOM 238 CZ ARG A 15 -11.116 -2.953 5.841 1.00 0.00 C ATOM 239 NH1 ARG A 15 -11.999 -3.767 6.420 1.00 0.00 N ATOM 240 NH2 ARG A 15 -10.249 -2.292 6.575 1.00 0.00 N ATOM 0 H ARG A 15 -11.406 -3.760 -0.007 1.00 0.00 H new ATOM 0 HA ARG A 15 -9.224 -2.011 0.249 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -9.445 -2.621 2.632 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -10.875 -1.959 1.865 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -11.637 -4.389 1.597 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -10.364 -4.780 2.737 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -12.679 -2.873 3.141 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -12.376 -4.375 3.991 1.00 0.00 H new ATOM 0 HE ARG A 15 -10.437 -2.090 4.163 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -12.670 -4.281 5.849 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -12.004 -3.875 7.434 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -9.572 -1.672 6.130 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -10.253 -2.399 7.589 1.00 0.00 H new ATOM 254 N SER A 16 -8.526 -5.163 0.611 1.00 0.00 N ATOM 255 CA SER A 16 -7.428 -6.097 0.665 1.00 0.00 C ATOM 256 C SER A 16 -6.602 -6.017 -0.635 1.00 0.00 C ATOM 257 O SER A 16 -5.404 -6.276 -0.639 1.00 0.00 O ATOM 258 CB SER A 16 -7.977 -7.508 0.919 1.00 0.00 C ATOM 259 OG SER A 16 -6.963 -8.453 1.199 1.00 0.00 O ATOM 0 H SER A 16 -9.446 -5.603 0.584 1.00 0.00 H new ATOM 0 HA SER A 16 -6.758 -5.844 1.487 1.00 0.00 H new ATOM 0 HB2 SER A 16 -8.676 -7.475 1.755 1.00 0.00 H new ATOM 0 HB3 SER A 16 -8.540 -7.836 0.045 1.00 0.00 H new ATOM 0 HG SER A 16 -7.368 -9.332 1.354 1.00 0.00 H new ATOM 265 N HIS A 17 -7.258 -5.609 -1.716 1.00 0.00 N ATOM 266 CA HIS A 17 -6.619 -5.401 -3.018 1.00 0.00 C ATOM 267 C HIS A 17 -5.618 -4.251 -2.878 1.00 0.00 C ATOM 268 O HIS A 17 -4.440 -4.362 -3.255 1.00 0.00 O ATOM 269 CB HIS A 17 -7.727 -5.045 -4.043 1.00 0.00 C ATOM 270 CG HIS A 17 -7.337 -4.878 -5.478 1.00 0.00 C ATOM 271 ND1 HIS A 17 -7.725 -5.741 -6.473 1.00 0.00 N ATOM 272 CD2 HIS A 17 -6.675 -3.878 -6.094 1.00 0.00 C ATOM 273 CE1 HIS A 17 -7.299 -5.253 -7.635 1.00 0.00 C ATOM 274 NE2 HIS A 17 -6.652 -4.119 -7.462 1.00 0.00 N ATOM 0 H HIS A 17 -8.258 -5.410 -1.717 1.00 0.00 H new ATOM 0 HA HIS A 17 -6.091 -6.292 -3.357 1.00 0.00 H new ATOM 0 HB2 HIS A 17 -8.488 -5.823 -3.994 1.00 0.00 H new ATOM 0 HB3 HIS A 17 -8.197 -4.118 -3.716 1.00 0.00 H new ATOM 0 HD1 HIS A 17 -8.249 -6.606 -6.344 1.00 0.00 H new ATOM 0 HD2 HIS A 17 -6.233 -3.025 -5.602 1.00 0.00 H new ATOM 0 HE1 HIS A 17 -7.462 -5.724 -8.593 1.00 0.00 H new ATOM 282 N LEU A 18 -6.103 -3.174 -2.311 1.00 0.00 N ATOM 283 CA LEU A 18 -5.314 -1.983 -2.034 1.00 0.00 C ATOM 284 C LEU A 18 -4.206 -2.305 -1.023 1.00 0.00 C ATOM 285 O LEU A 18 -3.079 -1.857 -1.171 1.00 0.00 O ATOM 286 CB LEU A 18 -6.248 -0.849 -1.546 1.00 0.00 C ATOM 287 CG LEU A 18 -7.056 -0.052 -2.630 1.00 0.00 C ATOM 288 CD1 LEU A 18 -7.666 -0.926 -3.705 1.00 0.00 C ATOM 289 CD2 LEU A 18 -8.173 0.681 -1.980 1.00 0.00 C ATOM 0 H LEU A 18 -7.077 -3.092 -2.020 1.00 0.00 H new ATOM 0 HA LEU A 18 -4.823 -1.640 -2.944 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -6.963 -1.281 -0.846 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -5.644 -0.135 -0.986 1.00 0.00 H new ATOM 0 HG LEU A 18 -6.334 0.615 -3.101 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -8.208 -0.303 -4.416 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -6.876 -1.468 -4.225 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -8.354 -1.638 -3.248 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -8.733 1.234 -2.734 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -8.835 -0.029 -1.485 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -7.772 1.377 -1.243 1.00 0.00 H new ATOM 301 N VAL A 19 -4.541 -3.120 -0.039 1.00 0.00 N ATOM 302 CA VAL A 19 -3.594 -3.627 0.974 1.00 0.00 C ATOM 303 C VAL A 19 -2.433 -4.394 0.307 1.00 0.00 C ATOM 304 O VAL A 19 -1.259 -4.136 0.577 1.00 0.00 O ATOM 305 CB VAL A 19 -4.328 -4.590 1.958 1.00 0.00 C ATOM 306 CG1 VAL A 19 -3.392 -5.277 2.860 1.00 0.00 C ATOM 307 CG2 VAL A 19 -5.325 -3.872 2.787 1.00 0.00 C ATOM 0 H VAL A 19 -5.493 -3.462 0.093 1.00 0.00 H new ATOM 0 HA VAL A 19 -3.194 -2.770 1.516 1.00 0.00 H new ATOM 0 HB VAL A 19 -4.831 -5.325 1.330 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -3.947 -5.937 3.527 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -2.686 -5.865 2.273 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -2.848 -4.540 3.450 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -5.815 -4.577 3.459 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -4.824 -3.101 3.372 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -6.071 -3.410 2.140 1.00 0.00 H new ATOM 317 N HIS A 20 -2.788 -5.338 -0.537 1.00 0.00 N ATOM 318 CA HIS A 20 -1.840 -6.146 -1.291 1.00 0.00 C ATOM 319 C HIS A 20 -0.872 -5.245 -2.080 1.00 0.00 C ATOM 320 O HIS A 20 0.366 -5.443 -2.072 1.00 0.00 O ATOM 321 CB HIS A 20 -2.646 -7.080 -2.214 1.00 0.00 C ATOM 322 CG HIS A 20 -1.860 -7.778 -3.260 1.00 0.00 C ATOM 323 ND1 HIS A 20 -1.977 -7.488 -4.592 1.00 0.00 N ATOM 324 CD2 HIS A 20 -0.936 -8.756 -3.165 1.00 0.00 C ATOM 325 CE1 HIS A 20 -1.154 -8.261 -5.258 1.00 0.00 C ATOM 326 NE2 HIS A 20 -0.480 -9.067 -4.439 1.00 0.00 N ATOM 0 H HIS A 20 -3.762 -5.574 -0.726 1.00 0.00 H new ATOM 0 HA HIS A 20 -1.225 -6.748 -0.622 1.00 0.00 H new ATOM 0 HB2 HIS A 20 -3.144 -7.829 -1.598 1.00 0.00 H new ATOM 0 HB3 HIS A 20 -3.427 -6.496 -2.700 1.00 0.00 H new ATOM 0 HD2 HIS A 20 -0.605 -9.221 -2.248 1.00 0.00 H new ATOM 0 HE1 HIS A 20 -1.037 -8.246 -6.332 1.00 0.00 H new ATOM 0 HE2 HIS A 20 0.221 -9.763 -4.693 1.00 0.00 H new ATOM 334 N LYS A 21 -1.433 -4.254 -2.721 1.00 0.00 N ATOM 335 CA LYS A 21 -0.662 -3.295 -3.463 1.00 0.00 C ATOM 336 C LYS A 21 0.204 -2.445 -2.558 1.00 0.00 C ATOM 337 O LYS A 21 1.359 -2.155 -2.906 1.00 0.00 O ATOM 338 CB LYS A 21 -1.562 -2.471 -4.353 1.00 0.00 C ATOM 339 CG LYS A 21 -1.940 -3.216 -5.606 1.00 0.00 C ATOM 340 CD LYS A 21 -3.104 -2.578 -6.322 1.00 0.00 C ATOM 341 CE LYS A 21 -3.435 -3.298 -7.636 1.00 0.00 C ATOM 342 NZ LYS A 21 -2.268 -3.416 -8.543 1.00 0.00 N ATOM 0 H LYS A 21 -2.439 -4.090 -2.743 1.00 0.00 H new ATOM 0 HA LYS A 21 0.028 -3.837 -4.110 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -2.464 -2.198 -3.806 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -1.058 -1.542 -4.620 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -1.081 -3.255 -6.276 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -2.193 -4.245 -5.352 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -3.979 -2.589 -5.672 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -2.874 -1.533 -6.529 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -3.816 -4.294 -7.412 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -4.233 -2.760 -8.148 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -2.594 -3.672 -9.497 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -1.765 -2.507 -8.582 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -1.625 -4.152 -8.188 1.00 0.00 H new ATOM 356 N LEU A 22 -0.344 -2.058 -1.396 1.00 0.00 N ATOM 357 CA LEU A 22 0.405 -1.326 -0.379 1.00 0.00 C ATOM 358 C LEU A 22 1.690 -2.038 -0.078 1.00 0.00 C ATOM 359 O LEU A 22 2.746 -1.428 -0.146 1.00 0.00 O ATOM 360 CB LEU A 22 -0.413 -1.132 0.910 1.00 0.00 C ATOM 361 CG LEU A 22 -1.435 0.001 0.911 1.00 0.00 C ATOM 362 CD1 LEU A 22 -2.323 -0.091 2.137 1.00 0.00 C ATOM 363 CD2 LEU A 22 -0.715 1.310 0.962 1.00 0.00 C ATOM 0 H LEU A 22 -1.314 -2.245 -1.142 1.00 0.00 H new ATOM 0 HA LEU A 22 0.624 -0.335 -0.777 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -0.938 -2.063 1.123 1.00 0.00 H new ATOM 0 HB3 LEU A 22 0.283 -0.963 1.732 1.00 0.00 H new ATOM 0 HG LEU A 22 -2.042 -0.077 0.009 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -3.047 0.724 2.124 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -2.850 -1.045 2.134 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -1.711 -0.018 3.036 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -1.440 2.124 0.963 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -0.113 1.359 1.869 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -0.066 1.403 0.091 1.00 0.00 H new ATOM 375 N VAL A 23 1.590 -3.347 0.196 1.00 0.00 N ATOM 376 CA VAL A 23 2.763 -4.193 0.438 1.00 0.00 C ATOM 377 C VAL A 23 3.737 -4.081 -0.710 1.00 0.00 C ATOM 378 O VAL A 23 4.869 -3.775 -0.490 1.00 0.00 O ATOM 379 CB VAL A 23 2.398 -5.689 0.581 1.00 0.00 C ATOM 380 CG1 VAL A 23 3.665 -6.533 0.658 1.00 0.00 C ATOM 381 CG2 VAL A 23 1.560 -5.916 1.798 1.00 0.00 C ATOM 0 H VAL A 23 0.701 -3.844 0.255 1.00 0.00 H new ATOM 0 HA VAL A 23 3.201 -3.839 1.371 1.00 0.00 H new ATOM 0 HB VAL A 23 1.823 -5.986 -0.296 1.00 0.00 H new ATOM 0 HG11 VAL A 23 3.396 -7.585 0.759 1.00 0.00 H new ATOM 0 HG12 VAL A 23 4.251 -6.394 -0.251 1.00 0.00 H new ATOM 0 HG13 VAL A 23 4.255 -6.225 1.521 1.00 0.00 H new ATOM 0 HG21 VAL A 23 1.315 -6.975 1.879 1.00 0.00 H new ATOM 0 HG22 VAL A 23 2.113 -5.603 2.684 1.00 0.00 H new ATOM 0 HG23 VAL A 23 0.641 -5.336 1.720 1.00 0.00 H new ATOM 391 N GLN A 24 3.263 -4.309 -1.940 1.00 0.00 N ATOM 392 CA GLN A 24 4.145 -4.265 -3.113 1.00 0.00 C ATOM 393 C GLN A 24 4.970 -2.987 -3.208 1.00 0.00 C ATOM 394 O GLN A 24 6.127 -3.018 -3.636 1.00 0.00 O ATOM 395 CB GLN A 24 3.391 -4.495 -4.403 1.00 0.00 C ATOM 396 CG GLN A 24 2.964 -5.926 -4.588 1.00 0.00 C ATOM 397 CD GLN A 24 2.450 -6.194 -5.967 1.00 0.00 C ATOM 398 OE1 GLN A 24 2.831 -5.537 -6.933 1.00 0.00 O ATOM 399 NE2 GLN A 24 1.632 -7.165 -6.089 1.00 0.00 N ATOM 0 H GLN A 24 2.288 -4.523 -2.148 1.00 0.00 H new ATOM 0 HA GLN A 24 4.845 -5.088 -2.967 1.00 0.00 H new ATOM 0 HB2 GLN A 24 2.510 -3.854 -4.422 1.00 0.00 H new ATOM 0 HB3 GLN A 24 4.019 -4.198 -5.243 1.00 0.00 H new ATOM 0 HG2 GLN A 24 3.809 -6.584 -4.384 1.00 0.00 H new ATOM 0 HG3 GLN A 24 2.189 -6.168 -3.861 1.00 0.00 H new ATOM 0 HE21 GLN A 24 1.337 -7.689 -5.266 1.00 0.00 H new ATOM 0 HE22 GLN A 24 1.273 -7.417 -7.010 1.00 0.00 H new ATOM 408 N ALA A 25 4.378 -1.878 -2.837 1.00 0.00 N ATOM 409 CA ALA A 25 5.078 -0.622 -2.848 1.00 0.00 C ATOM 410 C ALA A 25 5.941 -0.413 -1.596 1.00 0.00 C ATOM 411 O ALA A 25 7.086 -0.030 -1.686 1.00 0.00 O ATOM 412 CB ALA A 25 4.083 0.471 -2.948 1.00 0.00 C ATOM 0 H ALA A 25 3.409 -1.822 -2.523 1.00 0.00 H new ATOM 0 HA ALA A 25 5.753 -0.623 -3.704 1.00 0.00 H new ATOM 0 HB1 ALA A 25 4.598 1.432 -2.958 1.00 0.00 H new ATOM 0 HB2 ALA A 25 3.509 0.358 -3.868 1.00 0.00 H new ATOM 0 HB3 ALA A 25 3.409 0.429 -2.092 1.00 0.00 H new ATOM 418 N ILE A 26 5.389 -0.682 -0.432 1.00 0.00 N ATOM 419 CA ILE A 26 6.087 -0.397 0.826 1.00 0.00 C ATOM 420 C ILE A 26 7.178 -1.439 1.079 1.00 0.00 C ATOM 421 O ILE A 26 8.144 -1.205 1.805 1.00 0.00 O ATOM 422 CB ILE A 26 5.062 -0.307 2.019 1.00 0.00 C ATOM 423 CG1 ILE A 26 5.671 0.324 3.305 1.00 0.00 C ATOM 424 CG2 ILE A 26 4.462 -1.673 2.323 1.00 0.00 C ATOM 425 CD1 ILE A 26 6.384 -0.642 4.236 1.00 0.00 C ATOM 0 H ILE A 26 4.464 -1.096 -0.319 1.00 0.00 H new ATOM 0 HA ILE A 26 6.577 0.574 0.749 1.00 0.00 H new ATOM 0 HB ILE A 26 4.269 0.365 1.690 1.00 0.00 H new ATOM 0 HG12 ILE A 26 6.375 1.101 3.008 1.00 0.00 H new ATOM 0 HG13 ILE A 26 4.872 0.814 3.861 1.00 0.00 H new ATOM 0 HG21 ILE A 26 3.758 -1.585 3.150 1.00 0.00 H new ATOM 0 HG22 ILE A 26 3.941 -2.046 1.441 1.00 0.00 H new ATOM 0 HG23 ILE A 26 5.257 -2.367 2.596 1.00 0.00 H new ATOM 0 HD11 ILE A 26 6.769 -0.098 5.099 1.00 0.00 H new ATOM 0 HD12 ILE A 26 5.684 -1.407 4.572 1.00 0.00 H new ATOM 0 HD13 ILE A 26 7.211 -1.115 3.706 1.00 0.00 H new ATOM 437 N PHE A 27 7.016 -2.553 0.462 1.00 0.00 N ATOM 438 CA PHE A 27 7.910 -3.643 0.548 1.00 0.00 C ATOM 439 C PHE A 27 8.179 -4.186 -0.844 1.00 0.00 C ATOM 440 O PHE A 27 7.415 -5.017 -1.334 1.00 0.00 O ATOM 441 CB PHE A 27 7.322 -4.743 1.449 1.00 0.00 C ATOM 442 CG PHE A 27 7.402 -4.465 2.927 1.00 0.00 C ATOM 443 CD1 PHE A 27 8.632 -4.390 3.564 1.00 0.00 C ATOM 444 CD2 PHE A 27 6.252 -4.308 3.684 1.00 0.00 C ATOM 445 CE1 PHE A 27 8.712 -4.159 4.923 1.00 0.00 C ATOM 446 CE2 PHE A 27 6.326 -4.075 5.045 1.00 0.00 C ATOM 447 CZ PHE A 27 7.558 -4.000 5.665 1.00 0.00 C ATOM 0 H PHE A 27 6.217 -2.735 -0.145 1.00 0.00 H new ATOM 0 HA PHE A 27 8.849 -3.306 0.987 1.00 0.00 H new ATOM 0 HB2 PHE A 27 6.277 -4.893 1.179 1.00 0.00 H new ATOM 0 HB3 PHE A 27 7.842 -5.678 1.242 1.00 0.00 H new ATOM 0 HD1 PHE A 27 9.538 -4.514 2.990 1.00 0.00 H new ATOM 0 HD2 PHE A 27 5.286 -4.368 3.205 1.00 0.00 H new ATOM 0 HE1 PHE A 27 9.677 -4.103 5.406 1.00 0.00 H new ATOM 0 HE2 PHE A 27 5.422 -3.952 5.622 1.00 0.00 H new ATOM 0 HZ PHE A 27 7.619 -3.817 6.728 1.00 0.00 H new ATOM 457 N PRO A 28 9.216 -3.660 -1.548 1.00 0.00 N ATOM 458 CA PRO A 28 9.591 -4.163 -2.863 1.00 0.00 C ATOM 459 C PRO A 28 9.966 -5.643 -2.780 1.00 0.00 C ATOM 460 O PRO A 28 11.067 -6.005 -2.333 1.00 0.00 O ATOM 461 CB PRO A 28 10.794 -3.299 -3.282 1.00 0.00 C ATOM 462 CG PRO A 28 11.258 -2.637 -2.029 1.00 0.00 C ATOM 463 CD PRO A 28 10.058 -2.529 -1.134 1.00 0.00 C ATOM 0 HA PRO A 28 8.778 -4.098 -3.586 1.00 0.00 H new ATOM 0 HB2 PRO A 28 11.584 -3.910 -3.720 1.00 0.00 H new ATOM 0 HB3 PRO A 28 10.507 -2.563 -4.033 1.00 0.00 H new ATOM 0 HG2 PRO A 28 12.047 -3.219 -1.552 1.00 0.00 H new ATOM 0 HG3 PRO A 28 11.673 -1.652 -2.242 1.00 0.00 H new ATOM 0 HD2 PRO A 28 10.335 -2.599 -0.082 1.00 0.00 H new ATOM 0 HD3 PRO A 28 9.544 -1.577 -1.266 1.00 0.00 H new ATOM 471 N THR A 29 9.038 -6.480 -3.164 1.00 0.00 N ATOM 472 CA THR A 29 9.173 -7.893 -3.007 1.00 0.00 C ATOM 473 C THR A 29 10.277 -8.465 -3.914 1.00 0.00 C ATOM 474 O THR A 29 10.432 -8.045 -5.066 1.00 0.00 O ATOM 475 CB THR A 29 7.809 -8.619 -3.238 1.00 0.00 C ATOM 476 OG1 THR A 29 7.904 -9.999 -2.866 1.00 0.00 O ATOM 477 CG2 THR A 29 7.343 -8.519 -4.690 1.00 0.00 C ATOM 0 H THR A 29 8.161 -6.191 -3.598 1.00 0.00 H new ATOM 0 HA THR A 29 9.477 -8.079 -1.977 1.00 0.00 H new ATOM 0 HB THR A 29 7.074 -8.117 -2.609 1.00 0.00 H new ATOM 0 HG1 THR A 29 7.994 -10.550 -3.672 1.00 0.00 H new ATOM 0 HG21 THR A 29 6.391 -9.038 -4.803 1.00 0.00 H new ATOM 0 HG22 THR A 29 7.219 -7.471 -4.961 1.00 0.00 H new ATOM 0 HG23 THR A 29 8.086 -8.977 -5.343 1.00 0.00 H new ATOM 485 N PRO A 30 11.095 -9.396 -3.382 1.00 0.00 N ATOM 486 CA PRO A 30 12.158 -10.048 -4.147 1.00 0.00 C ATOM 487 C PRO A 30 11.602 -10.887 -5.285 1.00 0.00 C ATOM 488 O PRO A 30 12.240 -11.035 -6.332 1.00 0.00 O ATOM 489 CB PRO A 30 12.838 -10.974 -3.125 1.00 0.00 C ATOM 490 CG PRO A 30 11.861 -11.120 -2.008 1.00 0.00 C ATOM 491 CD PRO A 30 11.070 -9.849 -1.976 1.00 0.00 C ATOM 0 HA PRO A 30 12.829 -9.317 -4.599 1.00 0.00 H new ATOM 0 HB2 PRO A 30 13.075 -11.941 -3.568 1.00 0.00 H new ATOM 0 HB3 PRO A 30 13.777 -10.547 -2.772 1.00 0.00 H new ATOM 0 HG2 PRO A 30 11.210 -11.979 -2.170 1.00 0.00 H new ATOM 0 HG3 PRO A 30 12.375 -11.283 -1.060 1.00 0.00 H new ATOM 0 HD2 PRO A 30 10.052 -10.018 -1.626 1.00 0.00 H new ATOM 0 HD3 PRO A 30 11.518 -9.113 -1.308 1.00 0.00 H new ATOM 499 N ASP A 31 10.412 -11.411 -5.074 1.00 0.00 N ATOM 500 CA ASP A 31 9.759 -12.304 -6.011 1.00 0.00 C ATOM 501 C ASP A 31 8.295 -12.332 -5.671 1.00 0.00 C ATOM 502 O ASP A 31 7.949 -12.125 -4.504 1.00 0.00 O ATOM 503 CB ASP A 31 10.302 -13.712 -5.818 1.00 0.00 C ATOM 504 CG ASP A 31 9.776 -14.698 -6.812 1.00 0.00 C ATOM 505 OD1 ASP A 31 10.331 -14.810 -7.908 1.00 0.00 O ATOM 506 OD2 ASP A 31 8.816 -15.387 -6.513 1.00 0.00 O ATOM 0 H ASP A 31 9.863 -11.226 -4.235 1.00 0.00 H new ATOM 0 HA ASP A 31 9.929 -11.968 -7.034 1.00 0.00 H new ATOM 0 HB2 ASP A 31 11.390 -13.685 -5.886 1.00 0.00 H new ATOM 0 HB3 ASP A 31 10.053 -14.054 -4.813 1.00 0.00 H new ATOM 511 N PRO A 32 7.405 -12.544 -6.643 1.00 0.00 N ATOM 512 CA PRO A 32 5.978 -12.703 -6.381 1.00 0.00 C ATOM 513 C PRO A 32 5.654 -13.814 -5.356 1.00 0.00 C ATOM 514 O PRO A 32 4.632 -13.768 -4.683 1.00 0.00 O ATOM 515 CB PRO A 32 5.377 -13.068 -7.734 1.00 0.00 C ATOM 516 CG PRO A 32 6.530 -13.335 -8.642 1.00 0.00 C ATOM 517 CD PRO A 32 7.684 -12.561 -8.091 1.00 0.00 C ATOM 0 HA PRO A 32 5.575 -11.788 -5.946 1.00 0.00 H new ATOM 0 HB2 PRO A 32 4.735 -13.945 -7.651 1.00 0.00 H new ATOM 0 HB3 PRO A 32 4.759 -12.256 -8.118 1.00 0.00 H new ATOM 0 HG2 PRO A 32 6.758 -14.400 -8.678 1.00 0.00 H new ATOM 0 HG3 PRO A 32 6.303 -13.022 -9.661 1.00 0.00 H new ATOM 0 HD2 PRO A 32 8.637 -13.042 -8.314 1.00 0.00 H new ATOM 0 HD3 PRO A 32 7.731 -11.554 -8.506 1.00 0.00 H new ATOM 525 N ALA A 33 6.522 -14.793 -5.212 1.00 0.00 N ATOM 526 CA ALA A 33 6.261 -15.868 -4.276 1.00 0.00 C ATOM 527 C ALA A 33 6.517 -15.446 -2.836 1.00 0.00 C ATOM 528 O ALA A 33 6.124 -16.138 -1.895 1.00 0.00 O ATOM 529 CB ALA A 33 7.038 -17.122 -4.619 1.00 0.00 C ATOM 0 H ALA A 33 7.402 -14.868 -5.722 1.00 0.00 H new ATOM 0 HA ALA A 33 5.201 -16.103 -4.367 1.00 0.00 H new ATOM 0 HB1 ALA A 33 6.811 -17.901 -3.891 1.00 0.00 H new ATOM 0 HB2 ALA A 33 6.757 -17.463 -5.615 1.00 0.00 H new ATOM 0 HB3 ALA A 33 8.106 -16.905 -4.598 1.00 0.00 H new ATOM 535 N ALA A 34 7.143 -14.308 -2.650 1.00 0.00 N ATOM 536 CA ALA A 34 7.378 -13.804 -1.310 1.00 0.00 C ATOM 537 C ALA A 34 6.116 -13.129 -0.800 1.00 0.00 C ATOM 538 O ALA A 34 5.974 -12.834 0.383 1.00 0.00 O ATOM 539 CB ALA A 34 8.562 -12.854 -1.285 1.00 0.00 C ATOM 0 H ALA A 34 7.498 -13.715 -3.400 1.00 0.00 H new ATOM 0 HA ALA A 34 7.623 -14.637 -0.651 1.00 0.00 H new ATOM 0 HB1 ALA A 34 8.716 -12.491 -0.269 1.00 0.00 H new ATOM 0 HB2 ALA A 34 9.456 -13.378 -1.623 1.00 0.00 H new ATOM 0 HB3 ALA A 34 8.365 -12.010 -1.946 1.00 0.00 H new ATOM 545 N LEU A 35 5.170 -12.964 -1.706 1.00 0.00 N ATOM 546 CA LEU A 35 3.916 -12.312 -1.424 1.00 0.00 C ATOM 547 C LEU A 35 2.896 -13.311 -0.903 1.00 0.00 C ATOM 548 O LEU A 35 1.750 -12.969 -0.674 1.00 0.00 O ATOM 549 CB LEU A 35 3.379 -11.702 -2.692 1.00 0.00 C ATOM 550 CG LEU A 35 4.321 -10.785 -3.423 1.00 0.00 C ATOM 551 CD1 LEU A 35 3.819 -10.550 -4.815 1.00 0.00 C ATOM 552 CD2 LEU A 35 4.458 -9.484 -2.682 1.00 0.00 C ATOM 0 H LEU A 35 5.258 -13.285 -2.670 1.00 0.00 H new ATOM 0 HA LEU A 35 4.087 -11.545 -0.668 1.00 0.00 H new ATOM 0 HB2 LEU A 35 3.088 -12.507 -3.366 1.00 0.00 H new ATOM 0 HB3 LEU A 35 2.473 -11.146 -2.451 1.00 0.00 H new ATOM 0 HG LEU A 35 5.305 -11.251 -3.479 1.00 0.00 H new ATOM 0 HD11 LEU A 35 4.504 -9.885 -5.341 1.00 0.00 H new ATOM 0 HD12 LEU A 35 3.757 -11.501 -5.345 1.00 0.00 H new ATOM 0 HD13 LEU A 35 2.830 -10.093 -4.773 1.00 0.00 H new ATOM 0 HD21 LEU A 35 5.142 -8.829 -3.221 1.00 0.00 H new ATOM 0 HD22 LEU A 35 3.482 -9.005 -2.605 1.00 0.00 H new ATOM 0 HD23 LEU A 35 4.849 -9.674 -1.682 1.00 0.00 H new ATOM 564 N LYS A 36 3.302 -14.549 -0.800 1.00 0.00 N ATOM 565 CA LYS A 36 2.449 -15.606 -0.277 1.00 0.00 C ATOM 566 C LYS A 36 3.214 -16.448 0.728 1.00 0.00 C ATOM 567 O LYS A 36 2.789 -17.536 1.127 1.00 0.00 O ATOM 568 CB LYS A 36 1.902 -16.444 -1.424 1.00 0.00 C ATOM 569 CG LYS A 36 2.948 -16.882 -2.426 1.00 0.00 C ATOM 570 CD LYS A 36 2.365 -17.681 -3.599 1.00 0.00 C ATOM 571 CE LYS A 36 1.507 -16.845 -4.584 1.00 0.00 C ATOM 572 NZ LYS A 36 0.230 -16.334 -4.016 1.00 0.00 N ATOM 0 H LYS A 36 4.233 -14.863 -1.074 1.00 0.00 H new ATOM 0 HA LYS A 36 1.600 -15.166 0.247 1.00 0.00 H new ATOM 0 HB2 LYS A 36 1.416 -17.329 -1.013 1.00 0.00 H new ATOM 0 HB3 LYS A 36 1.134 -15.871 -1.944 1.00 0.00 H new ATOM 0 HG2 LYS A 36 3.461 -16.002 -2.814 1.00 0.00 H new ATOM 0 HG3 LYS A 36 3.697 -17.489 -1.918 1.00 0.00 H new ATOM 0 HD2 LYS A 36 3.184 -18.141 -4.151 1.00 0.00 H new ATOM 0 HD3 LYS A 36 1.753 -18.491 -3.202 1.00 0.00 H new ATOM 0 HE2 LYS A 36 2.099 -15.998 -4.932 1.00 0.00 H new ATOM 0 HE3 LYS A 36 1.281 -17.457 -5.458 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -0.507 -16.349 -4.750 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -0.062 -16.937 -3.220 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 0.365 -15.359 -3.681 1.00 0.00 H new ATOM 586 N ASP A 37 4.318 -15.899 1.152 1.00 0.00 N ATOM 587 CA ASP A 37 5.223 -16.532 2.097 1.00 0.00 C ATOM 588 C ASP A 37 4.862 -16.049 3.497 1.00 0.00 C ATOM 589 O ASP A 37 3.953 -15.233 3.652 1.00 0.00 O ATOM 590 CB ASP A 37 6.644 -16.101 1.740 1.00 0.00 C ATOM 591 CG ASP A 37 7.729 -16.634 2.621 1.00 0.00 C ATOM 592 OD1 ASP A 37 8.088 -17.806 2.530 1.00 0.00 O ATOM 593 OD2 ASP A 37 8.230 -15.863 3.445 1.00 0.00 O ATOM 0 H ASP A 37 4.630 -14.976 0.848 1.00 0.00 H new ATOM 0 HA ASP A 37 5.148 -17.619 2.061 1.00 0.00 H new ATOM 0 HB2 ASP A 37 6.850 -16.410 0.715 1.00 0.00 H new ATOM 0 HB3 ASP A 37 6.689 -15.012 1.760 1.00 0.00 H new ATOM 598 N ARG A 38 5.562 -16.511 4.495 1.00 0.00 N ATOM 599 CA ARG A 38 5.325 -16.081 5.849 1.00 0.00 C ATOM 600 C ARG A 38 5.779 -14.640 6.045 1.00 0.00 C ATOM 601 O ARG A 38 5.265 -13.937 6.903 1.00 0.00 O ATOM 602 CB ARG A 38 5.982 -17.009 6.847 1.00 0.00 C ATOM 603 CG ARG A 38 7.485 -16.847 7.070 1.00 0.00 C ATOM 604 CD ARG A 38 8.292 -17.451 5.966 1.00 0.00 C ATOM 605 NE ARG A 38 9.733 -17.366 6.222 1.00 0.00 N ATOM 606 CZ ARG A 38 10.681 -17.687 5.331 1.00 0.00 C ATOM 607 NH1 ARG A 38 10.352 -17.957 4.075 1.00 0.00 N ATOM 608 NH2 ARG A 38 11.956 -17.687 5.681 1.00 0.00 N ATOM 0 H ARG A 38 6.312 -17.195 4.396 1.00 0.00 H new ATOM 0 HA ARG A 38 4.251 -16.122 6.031 1.00 0.00 H new ATOM 0 HB2 ARG A 38 5.483 -16.880 7.807 1.00 0.00 H new ATOM 0 HB3 ARG A 38 5.797 -18.034 6.527 1.00 0.00 H new ATOM 0 HG2 ARG A 38 7.725 -15.787 7.154 1.00 0.00 H new ATOM 0 HG3 ARG A 38 7.762 -17.313 8.016 1.00 0.00 H new ATOM 0 HD2 ARG A 38 8.008 -18.496 5.841 1.00 0.00 H new ATOM 0 HD3 ARG A 38 8.061 -16.943 5.030 1.00 0.00 H new ATOM 0 HE ARG A 38 10.034 -17.040 7.140 1.00 0.00 H new ATOM 0 HH11 ARG A 38 9.375 -17.921 3.785 1.00 0.00 H new ATOM 0 HH12 ARG A 38 11.076 -18.201 3.399 1.00 0.00 H new ATOM 0 HH21 ARG A 38 12.223 -17.442 6.634 1.00 0.00 H new ATOM 0 HH22 ARG A 38 12.672 -17.932 4.998 1.00 0.00 H new ATOM 622 N ARG A 39 6.735 -14.201 5.214 1.00 0.00 N ATOM 623 CA ARG A 39 7.180 -12.812 5.209 1.00 0.00 C ATOM 624 C ARG A 39 5.972 -11.911 4.930 1.00 0.00 C ATOM 625 O ARG A 39 5.836 -10.814 5.493 1.00 0.00 O ATOM 626 CB ARG A 39 8.217 -12.614 4.101 1.00 0.00 C ATOM 627 CG ARG A 39 8.736 -11.181 3.972 1.00 0.00 C ATOM 628 CD ARG A 39 9.743 -10.817 5.056 1.00 0.00 C ATOM 629 NE ARG A 39 11.056 -11.412 4.789 1.00 0.00 N ATOM 630 CZ ARG A 39 12.209 -11.050 5.378 1.00 0.00 C ATOM 631 NH1 ARG A 39 12.217 -10.191 6.396 1.00 0.00 N ATOM 632 NH2 ARG A 39 13.340 -11.569 4.952 1.00 0.00 N ATOM 0 H ARG A 39 7.213 -14.795 4.537 1.00 0.00 H new ATOM 0 HA ARG A 39 7.624 -12.561 6.172 1.00 0.00 H new ATOM 0 HB2 ARG A 39 9.061 -13.278 4.287 1.00 0.00 H new ATOM 0 HB3 ARG A 39 7.777 -12.916 3.150 1.00 0.00 H new ATOM 0 HG2 ARG A 39 9.200 -11.054 2.994 1.00 0.00 H new ATOM 0 HG3 ARG A 39 7.895 -10.489 4.017 1.00 0.00 H new ATOM 0 HD2 ARG A 39 9.839 -9.733 5.116 1.00 0.00 H new ATOM 0 HD3 ARG A 39 9.377 -11.159 6.024 1.00 0.00 H new ATOM 0 HE ARG A 39 11.098 -12.162 4.100 1.00 0.00 H new ATOM 0 HH11 ARG A 39 11.340 -9.798 6.739 1.00 0.00 H new ATOM 0 HH12 ARG A 39 13.100 -9.926 6.833 1.00 0.00 H new ATOM 0 HH21 ARG A 39 13.336 -12.239 4.183 1.00 0.00 H new ATOM 0 HH22 ARG A 39 14.221 -11.302 5.391 1.00 0.00 H new ATOM 646 N MET A 40 5.078 -12.428 4.100 1.00 0.00 N ATOM 647 CA MET A 40 3.889 -11.737 3.691 1.00 0.00 C ATOM 648 C MET A 40 2.982 -11.386 4.843 1.00 0.00 C ATOM 649 O MET A 40 2.475 -10.299 4.855 1.00 0.00 O ATOM 650 CB MET A 40 3.165 -12.502 2.571 1.00 0.00 C ATOM 651 CG MET A 40 1.696 -12.130 2.307 1.00 0.00 C ATOM 652 SD MET A 40 1.363 -10.361 2.053 1.00 0.00 S ATOM 653 CE MET A 40 2.513 -9.910 0.790 1.00 0.00 C ATOM 0 H MET A 40 5.171 -13.358 3.691 1.00 0.00 H new ATOM 0 HA MET A 40 4.202 -10.778 3.279 1.00 0.00 H new ATOM 0 HB2 MET A 40 3.723 -12.356 1.646 1.00 0.00 H new ATOM 0 HB3 MET A 40 3.208 -13.566 2.805 1.00 0.00 H new ATOM 0 HG2 MET A 40 1.355 -12.675 1.427 1.00 0.00 H new ATOM 0 HG3 MET A 40 1.096 -12.476 3.148 1.00 0.00 H new ATOM 0 HE1 MET A 40 2.211 -8.962 0.344 1.00 0.00 H new ATOM 0 HE2 MET A 40 3.508 -9.806 1.224 1.00 0.00 H new ATOM 0 HE3 MET A 40 2.531 -10.683 0.022 1.00 0.00 H new ATOM 663 N GLU A 41 2.854 -12.246 5.870 1.00 0.00 N ATOM 664 CA GLU A 41 1.913 -11.911 6.957 1.00 0.00 C ATOM 665 C GLU A 41 2.353 -10.629 7.657 1.00 0.00 C ATOM 666 O GLU A 41 1.542 -9.842 8.066 1.00 0.00 O ATOM 667 CB GLU A 41 1.716 -13.042 7.977 1.00 0.00 C ATOM 668 CG GLU A 41 2.888 -13.289 8.892 1.00 0.00 C ATOM 669 CD GLU A 41 2.647 -14.435 9.836 1.00 0.00 C ATOM 670 OE1 GLU A 41 2.625 -15.612 9.395 1.00 0.00 O ATOM 671 OE2 GLU A 41 2.447 -14.194 11.032 1.00 0.00 O ATOM 0 H GLU A 41 3.357 -13.128 5.972 1.00 0.00 H new ATOM 0 HA GLU A 41 0.942 -11.761 6.486 1.00 0.00 H new ATOM 0 HB2 GLU A 41 0.841 -12.813 8.586 1.00 0.00 H new ATOM 0 HB3 GLU A 41 1.496 -13.963 7.437 1.00 0.00 H new ATOM 0 HG2 GLU A 41 3.775 -13.495 8.294 1.00 0.00 H new ATOM 0 HG3 GLU A 41 3.094 -12.386 9.466 1.00 0.00 H new ATOM 678 N ASN A 42 3.658 -10.413 7.692 1.00 0.00 N ATOM 679 CA ASN A 42 4.252 -9.232 8.302 1.00 0.00 C ATOM 680 C ASN A 42 4.034 -8.015 7.409 1.00 0.00 C ATOM 681 O ASN A 42 3.599 -6.940 7.861 1.00 0.00 O ATOM 682 CB ASN A 42 5.755 -9.472 8.497 1.00 0.00 C ATOM 683 CG ASN A 42 6.511 -8.252 8.996 1.00 0.00 C ATOM 684 OD1 ASN A 42 7.044 -7.480 8.074 1.00 0.00 O flip ATOM 685 ND2 ASN A 42 6.640 -8.032 10.202 1.00 0.00 N flip ATOM 0 H ASN A 42 4.342 -11.057 7.295 1.00 0.00 H new ATOM 0 HA ASN A 42 3.781 -9.045 9.267 1.00 0.00 H new ATOM 0 HB2 ASN A 42 5.894 -10.289 9.205 1.00 0.00 H new ATOM 0 HB3 ASN A 42 6.188 -9.794 7.550 1.00 0.00 H new ATOM 0 HD21 ASN A 42 6.209 -8.657 10.883 1.00 0.00 H new ATOM 0 HD22 ASN A 42 7.177 -7.225 10.519 1.00 0.00 H new ATOM 692 N LEU A 43 4.320 -8.202 6.133 1.00 0.00 N ATOM 693 CA LEU A 43 4.211 -7.130 5.152 1.00 0.00 C ATOM 694 C LEU A 43 2.757 -6.681 5.040 1.00 0.00 C ATOM 695 O LEU A 43 2.439 -5.477 5.093 1.00 0.00 O ATOM 696 CB LEU A 43 4.701 -7.611 3.783 1.00 0.00 C ATOM 697 CG LEU A 43 6.016 -8.408 3.723 1.00 0.00 C ATOM 698 CD1 LEU A 43 6.356 -8.766 2.286 1.00 0.00 C ATOM 699 CD2 LEU A 43 7.169 -7.663 4.375 1.00 0.00 C ATOM 0 H LEU A 43 4.632 -9.093 5.747 1.00 0.00 H new ATOM 0 HA LEU A 43 4.829 -6.293 5.478 1.00 0.00 H new ATOM 0 HB2 LEU A 43 3.916 -8.229 3.346 1.00 0.00 H new ATOM 0 HB3 LEU A 43 4.812 -6.736 3.142 1.00 0.00 H new ATOM 0 HG LEU A 43 5.864 -9.326 4.291 1.00 0.00 H new ATOM 0 HD11 LEU A 43 7.289 -9.329 2.262 1.00 0.00 H new ATOM 0 HD12 LEU A 43 5.555 -9.372 1.863 1.00 0.00 H new ATOM 0 HD13 LEU A 43 6.468 -7.853 1.701 1.00 0.00 H new ATOM 0 HD21 LEU A 43 8.075 -8.265 4.308 1.00 0.00 H new ATOM 0 HD22 LEU A 43 7.325 -6.714 3.862 1.00 0.00 H new ATOM 0 HD23 LEU A 43 6.935 -7.475 5.423 1.00 0.00 H new ATOM 711 N VAL A 44 1.872 -7.654 4.941 1.00 0.00 N ATOM 712 CA VAL A 44 0.472 -7.397 4.806 1.00 0.00 C ATOM 713 C VAL A 44 -0.078 -6.885 6.121 1.00 0.00 C ATOM 714 O VAL A 44 -1.023 -6.142 6.130 1.00 0.00 O ATOM 715 CB VAL A 44 -0.325 -8.646 4.308 1.00 0.00 C ATOM 716 CG1 VAL A 44 -0.584 -9.680 5.393 1.00 0.00 C ATOM 717 CG2 VAL A 44 -1.593 -8.254 3.584 1.00 0.00 C ATOM 0 H VAL A 44 2.116 -8.644 4.953 1.00 0.00 H new ATOM 0 HA VAL A 44 0.346 -6.633 4.038 1.00 0.00 H new ATOM 0 HB VAL A 44 0.326 -9.140 3.587 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -1.141 -10.517 4.972 1.00 0.00 H new ATOM 0 HG12 VAL A 44 0.366 -10.039 5.788 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -1.163 -9.226 6.197 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -2.116 -9.152 3.255 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -2.235 -7.686 4.257 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -1.343 -7.642 2.718 1.00 0.00 H new ATOM 727 N ALA A 45 0.548 -7.276 7.233 1.00 0.00 N ATOM 728 CA ALA A 45 0.147 -6.782 8.555 1.00 0.00 C ATOM 729 C ALA A 45 0.260 -5.259 8.590 1.00 0.00 C ATOM 730 O ALA A 45 -0.677 -4.567 9.007 1.00 0.00 O ATOM 731 CB ALA A 45 0.981 -7.413 9.672 1.00 0.00 C ATOM 0 H ALA A 45 1.331 -7.930 7.247 1.00 0.00 H new ATOM 0 HA ALA A 45 -0.890 -7.070 8.727 1.00 0.00 H new ATOM 0 HB1 ALA A 45 0.654 -7.022 10.635 1.00 0.00 H new ATOM 0 HB2 ALA A 45 0.851 -8.495 9.656 1.00 0.00 H new ATOM 0 HB3 ALA A 45 2.033 -7.172 9.521 1.00 0.00 H new ATOM 737 N TYR A 46 1.400 -4.737 8.115 1.00 0.00 N ATOM 738 CA TYR A 46 1.576 -3.277 7.970 1.00 0.00 C ATOM 739 C TYR A 46 0.532 -2.714 7.023 1.00 0.00 C ATOM 740 O TYR A 46 -0.077 -1.685 7.300 1.00 0.00 O ATOM 741 CB TYR A 46 3.006 -2.902 7.446 1.00 0.00 C ATOM 742 CG TYR A 46 3.093 -1.485 6.817 1.00 0.00 C ATOM 743 CD1 TYR A 46 2.755 -1.286 5.472 1.00 0.00 C ATOM 744 CD2 TYR A 46 3.448 -0.364 7.556 1.00 0.00 C ATOM 745 CE1 TYR A 46 2.774 -0.038 4.897 1.00 0.00 C ATOM 746 CE2 TYR A 46 3.463 0.896 6.966 1.00 0.00 C ATOM 747 CZ TYR A 46 3.126 1.047 5.645 1.00 0.00 C ATOM 748 OH TYR A 46 3.133 2.304 5.072 1.00 0.00 O ATOM 0 H TYR A 46 2.206 -5.291 7.827 1.00 0.00 H new ATOM 0 HA TYR A 46 1.455 -2.841 8.962 1.00 0.00 H new ATOM 0 HB2 TYR A 46 3.714 -2.966 8.273 1.00 0.00 H new ATOM 0 HB3 TYR A 46 3.315 -3.638 6.704 1.00 0.00 H new ATOM 0 HD1 TYR A 46 2.472 -2.137 4.870 1.00 0.00 H new ATOM 0 HD2 TYR A 46 3.715 -0.471 8.597 1.00 0.00 H new ATOM 0 HE1 TYR A 46 2.511 0.083 3.857 1.00 0.00 H new ATOM 0 HE2 TYR A 46 3.742 1.760 7.551 1.00 0.00 H new ATOM 0 HH TYR A 46 3.406 2.967 5.740 1.00 0.00 H new ATOM 758 N ALA A 47 0.348 -3.366 5.910 1.00 0.00 N ATOM 759 CA ALA A 47 -0.569 -2.878 4.913 1.00 0.00 C ATOM 760 C ALA A 47 -1.990 -2.786 5.462 1.00 0.00 C ATOM 761 O ALA A 47 -2.652 -1.792 5.285 1.00 0.00 O ATOM 762 CB ALA A 47 -0.488 -3.726 3.680 1.00 0.00 C ATOM 0 H ALA A 47 0.820 -4.237 5.668 1.00 0.00 H new ATOM 0 HA ALA A 47 -0.281 -1.864 4.637 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -1.185 -3.348 2.932 1.00 0.00 H new ATOM 0 HB2 ALA A 47 0.526 -3.692 3.281 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -0.745 -4.756 3.929 1.00 0.00 H new ATOM 768 N LYS A 48 -2.399 -3.802 6.193 1.00 0.00 N ATOM 769 CA LYS A 48 -3.717 -3.867 6.823 1.00 0.00 C ATOM 770 C LYS A 48 -3.883 -2.794 7.887 1.00 0.00 C ATOM 771 O LYS A 48 -4.961 -2.213 8.032 1.00 0.00 O ATOM 772 CB LYS A 48 -3.901 -5.221 7.481 1.00 0.00 C ATOM 773 CG LYS A 48 -4.022 -6.389 6.518 1.00 0.00 C ATOM 774 CD LYS A 48 -3.946 -7.706 7.264 1.00 0.00 C ATOM 775 CE LYS A 48 -4.111 -8.911 6.344 1.00 0.00 C ATOM 776 NZ LYS A 48 -5.436 -8.963 5.681 1.00 0.00 N ATOM 0 H LYS A 48 -1.821 -4.623 6.374 1.00 0.00 H new ATOM 0 HA LYS A 48 -4.462 -3.709 6.043 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -3.057 -5.403 8.146 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -4.795 -5.188 8.103 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -4.966 -6.325 5.977 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -3.226 -6.339 5.775 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -2.987 -7.774 7.777 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -4.720 -7.730 8.031 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -3.332 -8.888 5.582 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -3.965 -9.824 6.922 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -5.538 -9.868 5.179 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -6.186 -8.878 6.397 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -5.515 -8.180 5.002 1.00 0.00 H new ATOM 790 N LYS A 49 -2.830 -2.549 8.647 1.00 0.00 N ATOM 791 CA LYS A 49 -2.896 -1.579 9.725 1.00 0.00 C ATOM 792 C LYS A 49 -2.978 -0.157 9.146 1.00 0.00 C ATOM 793 O LYS A 49 -3.734 0.697 9.630 1.00 0.00 O ATOM 794 CB LYS A 49 -1.701 -1.756 10.711 1.00 0.00 C ATOM 795 CG LYS A 49 -0.362 -1.396 10.193 1.00 0.00 C ATOM 796 CD LYS A 49 0.722 -1.674 11.221 1.00 0.00 C ATOM 797 CE LYS A 49 2.023 -0.961 10.876 1.00 0.00 C ATOM 798 NZ LYS A 49 1.897 0.512 11.001 1.00 0.00 N ATOM 0 H LYS A 49 -1.924 -3.005 8.539 1.00 0.00 H new ATOM 0 HA LYS A 49 -3.802 -1.750 10.306 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -1.898 -1.154 11.598 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -1.674 -2.797 11.032 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -0.157 -1.962 9.284 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -0.347 -0.340 9.922 1.00 0.00 H new ATOM 0 HD2 LYS A 49 0.381 -1.353 12.205 1.00 0.00 H new ATOM 0 HD3 LYS A 49 0.900 -2.748 11.280 1.00 0.00 H new ATOM 0 HE2 LYS A 49 2.816 -1.315 11.535 1.00 0.00 H new ATOM 0 HE3 LYS A 49 2.317 -1.215 9.858 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 2.843 0.936 11.078 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 1.415 0.892 10.161 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 1.344 0.742 11.851 1.00 0.00 H new ATOM 812 N VAL A 50 -2.245 0.063 8.080 1.00 0.00 N ATOM 813 CA VAL A 50 -2.231 1.339 7.413 1.00 0.00 C ATOM 814 C VAL A 50 -3.518 1.559 6.636 1.00 0.00 C ATOM 815 O VAL A 50 -4.115 2.634 6.707 1.00 0.00 O ATOM 816 CB VAL A 50 -0.965 1.477 6.528 1.00 0.00 C ATOM 817 CG1 VAL A 50 -1.046 2.655 5.576 1.00 0.00 C ATOM 818 CG2 VAL A 50 0.229 1.646 7.432 1.00 0.00 C ATOM 0 H VAL A 50 -1.642 -0.640 7.652 1.00 0.00 H new ATOM 0 HA VAL A 50 -2.182 2.129 8.162 1.00 0.00 H new ATOM 0 HB VAL A 50 -0.878 0.578 5.918 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -0.134 2.705 4.981 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -1.904 2.531 4.916 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -1.158 3.577 6.147 1.00 0.00 H new ATOM 0 HG21 VAL A 50 1.131 1.745 6.828 1.00 0.00 H new ATOM 0 HG22 VAL A 50 0.100 2.540 8.041 1.00 0.00 H new ATOM 0 HG23 VAL A 50 0.320 0.775 8.081 1.00 0.00 H new ATOM 828 N GLU A 51 -3.965 0.528 5.945 1.00 0.00 N ATOM 829 CA GLU A 51 -5.212 0.565 5.209 1.00 0.00 C ATOM 830 C GLU A 51 -6.346 0.857 6.172 1.00 0.00 C ATOM 831 O GLU A 51 -7.155 1.735 5.919 1.00 0.00 O ATOM 832 CB GLU A 51 -5.388 -0.765 4.455 1.00 0.00 C ATOM 833 CG GLU A 51 -6.631 -0.920 3.586 1.00 0.00 C ATOM 834 CD GLU A 51 -7.877 -1.351 4.377 1.00 0.00 C ATOM 835 OE1 GLU A 51 -7.758 -2.234 5.256 1.00 0.00 O ATOM 836 OE2 GLU A 51 -8.986 -0.845 4.130 1.00 0.00 O ATOM 0 H GLU A 51 -3.471 -0.362 5.879 1.00 0.00 H new ATOM 0 HA GLU A 51 -5.210 1.360 4.464 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -4.513 -0.911 3.821 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -5.388 -1.571 5.189 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -6.836 0.026 3.086 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -6.432 -1.656 2.807 1.00 0.00 H new ATOM 843 N GLY A 52 -6.336 0.168 7.313 1.00 0.00 N ATOM 844 CA GLY A 52 -7.325 0.383 8.350 1.00 0.00 C ATOM 845 C GLY A 52 -7.346 1.815 8.834 1.00 0.00 C ATOM 846 O GLY A 52 -8.405 2.392 9.024 1.00 0.00 O ATOM 0 H GLY A 52 -5.645 -0.548 7.536 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -8.311 0.116 7.970 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -7.117 -0.279 9.190 1.00 0.00 H new ATOM 850 N ASP A 53 -6.172 2.387 8.993 1.00 0.00 N ATOM 851 CA ASP A 53 -6.011 3.781 9.427 1.00 0.00 C ATOM 852 C ASP A 53 -6.726 4.746 8.471 1.00 0.00 C ATOM 853 O ASP A 53 -7.587 5.533 8.890 1.00 0.00 O ATOM 854 CB ASP A 53 -4.536 4.113 9.471 1.00 0.00 C ATOM 855 CG ASP A 53 -4.240 5.491 10.008 1.00 0.00 C ATOM 856 OD1 ASP A 53 -4.140 5.648 11.239 1.00 0.00 O ATOM 857 OD2 ASP A 53 -4.057 6.432 9.207 1.00 0.00 O ATOM 0 H ASP A 53 -5.289 1.905 8.827 1.00 0.00 H new ATOM 0 HA ASP A 53 -6.456 3.893 10.416 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -4.025 3.375 10.089 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -4.123 4.028 8.466 1.00 0.00 H new ATOM 862 N MET A 54 -6.402 4.651 7.189 1.00 0.00 N ATOM 863 CA MET A 54 -7.035 5.499 6.158 1.00 0.00 C ATOM 864 C MET A 54 -8.498 5.181 5.971 1.00 0.00 C ATOM 865 O MET A 54 -9.309 6.077 5.737 1.00 0.00 O ATOM 866 CB MET A 54 -6.265 5.503 4.819 1.00 0.00 C ATOM 867 CG MET A 54 -5.680 4.191 4.396 1.00 0.00 C ATOM 868 SD MET A 54 -3.975 4.383 3.811 1.00 0.00 S ATOM 869 CE MET A 54 -3.221 5.274 5.181 1.00 0.00 C ATOM 0 H MET A 54 -5.706 3.999 6.826 1.00 0.00 H new ATOM 0 HA MET A 54 -6.979 6.518 6.540 1.00 0.00 H new ATOM 0 HB2 MET A 54 -6.940 5.847 4.035 1.00 0.00 H new ATOM 0 HB3 MET A 54 -5.458 6.233 4.888 1.00 0.00 H new ATOM 0 HG2 MET A 54 -5.702 3.494 5.234 1.00 0.00 H new ATOM 0 HG3 MET A 54 -6.291 3.757 3.604 1.00 0.00 H new ATOM 0 HE1 MET A 54 -2.136 5.245 5.081 1.00 0.00 H new ATOM 0 HE2 MET A 54 -3.559 6.310 5.171 1.00 0.00 H new ATOM 0 HE3 MET A 54 -3.511 4.807 6.122 1.00 0.00 H new ATOM 879 N TYR A 55 -8.831 3.927 6.124 1.00 0.00 N ATOM 880 CA TYR A 55 -10.196 3.442 6.058 1.00 0.00 C ATOM 881 C TYR A 55 -11.015 4.090 7.187 1.00 0.00 C ATOM 882 O TYR A 55 -12.106 4.546 6.982 1.00 0.00 O ATOM 883 CB TYR A 55 -10.144 1.917 6.213 1.00 0.00 C ATOM 884 CG TYR A 55 -11.441 1.166 6.240 1.00 0.00 C ATOM 885 CD1 TYR A 55 -12.107 0.851 5.071 1.00 0.00 C ATOM 886 CD2 TYR A 55 -11.965 0.712 7.441 1.00 0.00 C ATOM 887 CE1 TYR A 55 -13.263 0.107 5.099 1.00 0.00 C ATOM 888 CE2 TYR A 55 -13.124 -0.022 7.477 1.00 0.00 C ATOM 889 CZ TYR A 55 -13.770 -0.324 6.303 1.00 0.00 C ATOM 890 OH TYR A 55 -14.912 -1.087 6.332 1.00 0.00 O ATOM 0 H TYR A 55 -8.148 3.191 6.303 1.00 0.00 H new ATOM 0 HA TYR A 55 -10.672 3.698 5.111 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -9.545 1.519 5.394 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -9.610 1.694 7.137 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -11.715 1.193 4.125 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -11.452 0.940 8.364 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -13.772 -0.138 4.178 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -13.525 -0.360 8.421 1.00 0.00 H new ATOM 0 HH TYR A 55 -15.134 -1.308 7.261 1.00 0.00 H new ATOM 900 N GLU A 56 -10.456 4.161 8.371 1.00 0.00 N ATOM 901 CA GLU A 56 -11.165 4.787 9.470 1.00 0.00 C ATOM 902 C GLU A 56 -11.042 6.301 9.439 1.00 0.00 C ATOM 903 O GLU A 56 -11.789 6.998 10.118 1.00 0.00 O ATOM 904 CB GLU A 56 -10.710 4.263 10.819 1.00 0.00 C ATOM 905 CG GLU A 56 -10.918 2.785 11.002 1.00 0.00 C ATOM 906 CD GLU A 56 -10.707 2.373 12.426 1.00 0.00 C ATOM 907 OE1 GLU A 56 -9.558 2.182 12.852 1.00 0.00 O ATOM 908 OE2 GLU A 56 -11.706 2.247 13.153 1.00 0.00 O ATOM 0 H GLU A 56 -9.529 3.801 8.600 1.00 0.00 H new ATOM 0 HA GLU A 56 -12.214 4.522 9.336 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -9.651 4.489 10.947 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -11.247 4.795 11.604 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -11.928 2.517 10.691 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -10.230 2.237 10.358 1.00 0.00 H new ATOM 915 N SER A 57 -10.117 6.811 8.677 1.00 0.00 N ATOM 916 CA SER A 57 -9.909 8.240 8.600 1.00 0.00 C ATOM 917 C SER A 57 -10.847 8.900 7.561 1.00 0.00 C ATOM 918 O SER A 57 -11.479 9.930 7.845 1.00 0.00 O ATOM 919 CB SER A 57 -8.435 8.537 8.275 1.00 0.00 C ATOM 920 OG SER A 57 -8.120 9.900 8.470 1.00 0.00 O ATOM 0 H SER A 57 -9.488 6.259 8.094 1.00 0.00 H new ATOM 0 HA SER A 57 -10.153 8.671 9.571 1.00 0.00 H new ATOM 0 HB2 SER A 57 -7.793 7.922 8.905 1.00 0.00 H new ATOM 0 HB3 SER A 57 -8.228 8.260 7.241 1.00 0.00 H new ATOM 0 HG SER A 57 -7.176 10.051 8.256 1.00 0.00 H new ATOM 926 N ALA A 58 -10.971 8.283 6.398 1.00 0.00 N ATOM 927 CA ALA A 58 -11.737 8.838 5.279 1.00 0.00 C ATOM 928 C ALA A 58 -13.238 8.869 5.523 1.00 0.00 C ATOM 929 O ALA A 58 -13.765 8.192 6.412 1.00 0.00 O ATOM 930 CB ALA A 58 -11.469 8.043 4.048 1.00 0.00 C ATOM 0 H ALA A 58 -10.544 7.379 6.196 1.00 0.00 H new ATOM 0 HA ALA A 58 -11.408 9.871 5.166 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -12.039 8.457 3.216 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -10.405 8.083 3.814 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -11.766 7.007 4.212 1.00 0.00 H new ATOM 936 N ASN A 59 -13.924 9.646 4.718 1.00 0.00 N ATOM 937 CA ASN A 59 -15.373 9.794 4.819 1.00 0.00 C ATOM 938 C ASN A 59 -16.059 9.056 3.710 1.00 0.00 C ATOM 939 O ASN A 59 -17.284 9.027 3.654 1.00 0.00 O ATOM 940 CB ASN A 59 -15.794 11.263 4.776 1.00 0.00 C ATOM 941 CG ASN A 59 -15.249 12.077 5.918 1.00 0.00 C ATOM 942 OD1 ASN A 59 -15.877 12.192 6.964 1.00 0.00 O ATOM 943 ND2 ASN A 59 -14.085 12.642 5.739 1.00 0.00 N ATOM 0 H ASN A 59 -13.501 10.197 3.971 1.00 0.00 H new ATOM 0 HA ASN A 59 -15.670 9.373 5.779 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -15.460 11.701 3.836 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -16.882 11.321 4.786 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -13.670 13.201 6.484 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -13.591 12.524 4.854 1.00 0.00 H new ATOM 950 N SER A 60 -15.279 8.463 2.834 1.00 0.00 N ATOM 951 CA SER A 60 -15.797 7.680 1.736 1.00 0.00 C ATOM 952 C SER A 60 -14.756 6.660 1.354 1.00 0.00 C ATOM 953 O SER A 60 -13.569 6.862 1.632 1.00 0.00 O ATOM 954 CB SER A 60 -16.064 8.547 0.522 1.00 0.00 C ATOM 955 OG SER A 60 -16.860 9.690 0.822 1.00 0.00 O ATOM 0 H SER A 60 -14.261 8.511 2.864 1.00 0.00 H new ATOM 0 HA SER A 60 -16.730 7.213 2.051 1.00 0.00 H new ATOM 0 HB2 SER A 60 -15.114 8.873 0.098 1.00 0.00 H new ATOM 0 HB3 SER A 60 -16.565 7.951 -0.241 1.00 0.00 H new ATOM 0 HG SER A 60 -17.000 10.214 0.006 1.00 0.00 H new ATOM 961 N ARG A 61 -15.168 5.582 0.711 1.00 0.00 N ATOM 962 CA ARG A 61 -14.199 4.582 0.272 1.00 0.00 C ATOM 963 C ARG A 61 -13.382 5.090 -0.878 1.00 0.00 C ATOM 964 O ARG A 61 -12.211 4.801 -0.969 1.00 0.00 O ATOM 965 CB ARG A 61 -14.760 3.153 -0.009 1.00 0.00 C ATOM 966 CG ARG A 61 -15.747 2.987 -1.161 1.00 0.00 C ATOM 967 CD ARG A 61 -16.995 3.722 -0.902 1.00 0.00 C ATOM 968 NE ARG A 61 -18.044 3.385 -1.880 1.00 0.00 N ATOM 969 CZ ARG A 61 -19.167 4.091 -2.116 1.00 0.00 C ATOM 970 NH1 ARG A 61 -19.387 5.254 -1.511 1.00 0.00 N ATOM 971 NH2 ARG A 61 -20.056 3.631 -2.984 1.00 0.00 N ATOM 0 H ARG A 61 -16.140 5.375 0.483 1.00 0.00 H new ATOM 0 HA ARG A 61 -13.556 4.437 1.140 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -13.913 2.492 -0.196 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -15.245 2.799 0.901 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -15.295 3.347 -2.085 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -15.968 1.929 -1.305 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -17.349 3.493 0.103 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -16.799 4.794 -0.935 1.00 0.00 H new ATOM 0 HE ARG A 61 -17.907 2.537 -2.430 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -18.700 5.626 -0.856 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -20.243 5.774 -1.702 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -19.887 2.749 -3.468 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -20.909 4.159 -3.169 1.00 0.00 H new ATOM 985 N ASP A 62 -14.002 5.882 -1.738 1.00 0.00 N ATOM 986 CA ASP A 62 -13.290 6.518 -2.840 1.00 0.00 C ATOM 987 C ASP A 62 -12.228 7.439 -2.283 1.00 0.00 C ATOM 988 O ASP A 62 -11.125 7.471 -2.768 1.00 0.00 O ATOM 989 CB ASP A 62 -14.253 7.297 -3.725 1.00 0.00 C ATOM 990 CG ASP A 62 -13.564 8.111 -4.790 1.00 0.00 C ATOM 991 OD1 ASP A 62 -13.216 7.570 -5.845 1.00 0.00 O ATOM 992 OD2 ASP A 62 -13.382 9.336 -4.594 1.00 0.00 O ATOM 0 H ASP A 62 -14.997 6.101 -1.696 1.00 0.00 H new ATOM 0 HA ASP A 62 -12.819 5.748 -3.451 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -14.942 6.599 -4.201 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -14.851 7.961 -3.101 1.00 0.00 H new ATOM 997 N GLU A 63 -12.572 8.130 -1.203 1.00 0.00 N ATOM 998 CA GLU A 63 -11.658 9.019 -0.514 1.00 0.00 C ATOM 999 C GLU A 63 -10.502 8.258 0.105 1.00 0.00 C ATOM 1000 O GLU A 63 -9.339 8.630 -0.082 1.00 0.00 O ATOM 1001 CB GLU A 63 -12.404 9.818 0.545 1.00 0.00 C ATOM 1002 CG GLU A 63 -11.516 10.649 1.456 1.00 0.00 C ATOM 1003 CD GLU A 63 -12.295 11.688 2.180 1.00 0.00 C ATOM 1004 OE1 GLU A 63 -12.733 12.669 1.542 1.00 0.00 O ATOM 1005 OE2 GLU A 63 -12.536 11.534 3.384 1.00 0.00 O ATOM 0 H GLU A 63 -13.500 8.086 -0.782 1.00 0.00 H new ATOM 0 HA GLU A 63 -11.240 9.708 -1.248 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -13.113 10.480 0.048 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -12.986 9.129 1.157 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -11.021 9.997 2.176 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -10.733 11.126 0.866 1.00 0.00 H new ATOM 1012 N TYR A 64 -10.821 7.186 0.820 1.00 0.00 N ATOM 1013 CA TYR A 64 -9.821 6.395 1.476 1.00 0.00 C ATOM 1014 C TYR A 64 -8.888 5.757 0.441 1.00 0.00 C ATOM 1015 O TYR A 64 -7.673 5.838 0.572 1.00 0.00 O ATOM 1016 CB TYR A 64 -10.501 5.390 2.452 1.00 0.00 C ATOM 1017 CG TYR A 64 -10.238 3.948 2.238 1.00 0.00 C ATOM 1018 CD1 TYR A 64 -9.157 3.343 2.822 1.00 0.00 C ATOM 1019 CD2 TYR A 64 -11.073 3.191 1.442 1.00 0.00 C ATOM 1020 CE1 TYR A 64 -8.908 2.026 2.628 1.00 0.00 C ATOM 1021 CE2 TYR A 64 -10.826 1.864 1.235 1.00 0.00 C ATOM 1022 CZ TYR A 64 -9.737 1.290 1.835 1.00 0.00 C ATOM 1023 OH TYR A 64 -9.473 -0.008 1.644 1.00 0.00 O ATOM 0 H TYR A 64 -11.776 6.853 0.953 1.00 0.00 H new ATOM 0 HA TYR A 64 -9.178 7.020 2.096 1.00 0.00 H new ATOM 0 HB2 TYR A 64 -10.190 5.642 3.466 1.00 0.00 H new ATOM 0 HB3 TYR A 64 -11.578 5.547 2.401 1.00 0.00 H new ATOM 0 HD1 TYR A 64 -8.494 3.924 3.446 1.00 0.00 H new ATOM 0 HD2 TYR A 64 -11.932 3.653 0.977 1.00 0.00 H new ATOM 0 HE1 TYR A 64 -8.055 1.560 3.100 1.00 0.00 H new ATOM 0 HE2 TYR A 64 -11.480 1.276 0.608 1.00 0.00 H new ATOM 0 HH TYR A 64 -9.135 -0.399 2.477 1.00 0.00 H new ATOM 1033 N TYR A 65 -9.484 5.209 -0.614 1.00 0.00 N ATOM 1034 CA TYR A 65 -8.761 4.638 -1.731 1.00 0.00 C ATOM 1035 C TYR A 65 -7.893 5.704 -2.400 1.00 0.00 C ATOM 1036 O TYR A 65 -6.734 5.470 -2.649 1.00 0.00 O ATOM 1037 CB TYR A 65 -9.780 3.990 -2.704 1.00 0.00 C ATOM 1038 CG TYR A 65 -9.337 3.671 -4.122 1.00 0.00 C ATOM 1039 CD1 TYR A 65 -8.066 3.205 -4.435 1.00 0.00 C ATOM 1040 CD2 TYR A 65 -10.235 3.838 -5.151 1.00 0.00 C ATOM 1041 CE1 TYR A 65 -7.722 2.927 -5.742 1.00 0.00 C ATOM 1042 CE2 TYR A 65 -9.902 3.561 -6.444 1.00 0.00 C ATOM 1043 CZ TYR A 65 -8.650 3.109 -6.741 1.00 0.00 C ATOM 1044 OH TYR A 65 -8.323 2.843 -8.044 1.00 0.00 O ATOM 0 H TYR A 65 -10.498 5.151 -0.712 1.00 0.00 H new ATOM 0 HA TYR A 65 -8.080 3.858 -1.391 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -10.126 3.062 -2.250 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -10.642 4.654 -2.769 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -7.341 3.059 -3.648 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -11.229 4.198 -4.929 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -6.731 2.569 -5.979 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -10.628 3.699 -7.231 1.00 0.00 H new ATOM 0 HH TYR A 65 -9.096 3.025 -8.619 1.00 0.00 H new ATOM 1054 N HIS A 66 -8.459 6.887 -2.614 1.00 0.00 N ATOM 1055 CA HIS A 66 -7.763 8.012 -3.264 1.00 0.00 C ATOM 1056 C HIS A 66 -6.509 8.398 -2.492 1.00 0.00 C ATOM 1057 O HIS A 66 -5.421 8.384 -3.041 1.00 0.00 O ATOM 1058 CB HIS A 66 -8.721 9.233 -3.383 1.00 0.00 C ATOM 1059 CG HIS A 66 -8.204 10.464 -4.113 1.00 0.00 C ATOM 1060 ND1 HIS A 66 -8.833 11.014 -5.209 1.00 0.00 N ATOM 1061 CD2 HIS A 66 -7.163 11.291 -3.838 1.00 0.00 C ATOM 1062 CE1 HIS A 66 -8.179 12.125 -5.556 1.00 0.00 C ATOM 1063 NE2 HIS A 66 -7.156 12.340 -4.755 1.00 0.00 N ATOM 0 H HIS A 66 -9.419 7.102 -2.343 1.00 0.00 H new ATOM 0 HA HIS A 66 -7.461 7.697 -4.263 1.00 0.00 H new ATOM 0 HB2 HIS A 66 -9.629 8.900 -3.886 1.00 0.00 H new ATOM 0 HB3 HIS A 66 -9.007 9.535 -2.376 1.00 0.00 H new ATOM 0 HD2 HIS A 66 -6.453 11.157 -3.035 1.00 0.00 H new ATOM 0 HE1 HIS A 66 -8.453 12.763 -6.384 1.00 0.00 H new ATOM 0 HE2 HIS A 66 -6.494 13.115 -4.797 1.00 0.00 H new ATOM 1071 N LEU A 67 -6.665 8.700 -1.220 1.00 0.00 N ATOM 1072 CA LEU A 67 -5.548 9.177 -0.421 1.00 0.00 C ATOM 1073 C LEU A 67 -4.481 8.088 -0.209 1.00 0.00 C ATOM 1074 O LEU A 67 -3.265 8.373 -0.186 1.00 0.00 O ATOM 1075 CB LEU A 67 -6.049 9.830 0.906 1.00 0.00 C ATOM 1076 CG LEU A 67 -6.799 8.937 1.920 1.00 0.00 C ATOM 1077 CD1 LEU A 67 -5.851 8.130 2.752 1.00 0.00 C ATOM 1078 CD2 LEU A 67 -7.714 9.739 2.820 1.00 0.00 C ATOM 0 H LEU A 67 -7.549 8.625 -0.716 1.00 0.00 H new ATOM 0 HA LEU A 67 -5.043 9.965 -0.980 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -5.185 10.258 1.414 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -6.706 10.659 0.642 1.00 0.00 H new ATOM 0 HG LEU A 67 -7.413 8.257 1.329 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -6.415 7.515 3.453 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -5.255 7.488 2.104 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -5.192 8.799 3.305 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -8.219 9.069 3.515 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -7.127 10.467 3.380 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -8.456 10.259 2.214 1.00 0.00 H new ATOM 1090 N LEU A 68 -4.920 6.835 -0.109 1.00 0.00 N ATOM 1091 CA LEU A 68 -3.991 5.757 0.094 1.00 0.00 C ATOM 1092 C LEU A 68 -3.266 5.477 -1.214 1.00 0.00 C ATOM 1093 O LEU A 68 -2.088 5.109 -1.223 1.00 0.00 O ATOM 1094 CB LEU A 68 -4.700 4.508 0.694 1.00 0.00 C ATOM 1095 CG LEU A 68 -5.406 3.503 -0.210 1.00 0.00 C ATOM 1096 CD1 LEU A 68 -4.407 2.516 -0.772 1.00 0.00 C ATOM 1097 CD2 LEU A 68 -6.452 2.767 0.585 1.00 0.00 C ATOM 0 H LEU A 68 -5.900 6.557 -0.166 1.00 0.00 H new ATOM 0 HA LEU A 68 -3.241 6.041 0.832 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -3.951 3.957 1.263 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -5.439 4.871 1.408 1.00 0.00 H new ATOM 0 HG LEU A 68 -5.879 4.035 -1.036 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -4.922 1.803 -1.416 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -3.654 3.050 -1.352 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -3.923 1.982 0.046 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -6.959 2.048 -0.058 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -5.977 2.241 1.413 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -7.179 3.479 0.977 1.00 0.00 H new ATOM 1109 N ALA A 69 -3.979 5.689 -2.315 1.00 0.00 N ATOM 1110 CA ALA A 69 -3.436 5.553 -3.643 1.00 0.00 C ATOM 1111 C ALA A 69 -2.343 6.567 -3.847 1.00 0.00 C ATOM 1112 O ALA A 69 -1.311 6.269 -4.404 1.00 0.00 O ATOM 1113 CB ALA A 69 -4.523 5.752 -4.672 1.00 0.00 C ATOM 0 H ALA A 69 -4.961 5.963 -2.300 1.00 0.00 H new ATOM 0 HA ALA A 69 -3.024 4.551 -3.759 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -4.101 5.647 -5.672 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -5.303 5.004 -4.527 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -4.951 6.748 -4.561 1.00 0.00 H new ATOM 1119 N GLU A 70 -2.569 7.745 -3.335 1.00 0.00 N ATOM 1120 CA GLU A 70 -1.619 8.828 -3.420 1.00 0.00 C ATOM 1121 C GLU A 70 -0.335 8.484 -2.677 1.00 0.00 C ATOM 1122 O GLU A 70 0.782 8.670 -3.208 1.00 0.00 O ATOM 1123 CB GLU A 70 -2.244 10.086 -2.855 1.00 0.00 C ATOM 1124 CG GLU A 70 -3.339 10.656 -3.727 1.00 0.00 C ATOM 1125 CD GLU A 70 -2.798 11.360 -4.939 1.00 0.00 C ATOM 1126 OE1 GLU A 70 -2.086 12.391 -4.773 1.00 0.00 O ATOM 1127 OE2 GLU A 70 -3.039 10.912 -6.065 1.00 0.00 O ATOM 0 H GLU A 70 -3.428 7.987 -2.840 1.00 0.00 H new ATOM 0 HA GLU A 70 -1.360 8.993 -4.466 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -2.652 9.868 -1.868 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -1.468 10.839 -2.720 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -4.003 9.852 -4.044 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -3.939 11.354 -3.143 1.00 0.00 H new ATOM 1134 N LYS A 71 -0.477 7.958 -1.462 1.00 0.00 N ATOM 1135 CA LYS A 71 0.692 7.604 -0.689 1.00 0.00 C ATOM 1136 C LYS A 71 1.431 6.409 -1.294 1.00 0.00 C ATOM 1137 O LYS A 71 2.647 6.421 -1.384 1.00 0.00 O ATOM 1138 CB LYS A 71 0.392 7.447 0.835 1.00 0.00 C ATOM 1139 CG LYS A 71 -0.503 6.271 1.266 1.00 0.00 C ATOM 1140 CD LYS A 71 0.257 4.940 1.460 1.00 0.00 C ATOM 1141 CE LYS A 71 1.361 5.014 2.531 1.00 0.00 C ATOM 1142 NZ LYS A 71 0.869 5.484 3.854 1.00 0.00 N ATOM 0 H LYS A 71 -1.371 7.774 -1.007 1.00 0.00 H new ATOM 0 HA LYS A 71 1.379 8.448 -0.750 1.00 0.00 H new ATOM 0 HB2 LYS A 71 1.344 7.354 1.357 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -0.074 8.369 1.183 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -1.003 6.531 2.199 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -1.282 6.127 0.517 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -0.454 4.161 1.736 1.00 0.00 H new ATOM 0 HD3 LYS A 71 0.702 4.643 0.510 1.00 0.00 H new ATOM 0 HE2 LYS A 71 1.810 4.028 2.648 1.00 0.00 H new ATOM 0 HE3 LYS A 71 2.148 5.684 2.185 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 1.653 5.479 4.538 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 0.496 6.450 3.762 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 0.114 4.852 4.188 1.00 0.00 H new ATOM 1156 N ILE A 72 0.701 5.407 -1.767 1.00 0.00 N ATOM 1157 CA ILE A 72 1.353 4.239 -2.336 1.00 0.00 C ATOM 1158 C ILE A 72 2.122 4.626 -3.614 1.00 0.00 C ATOM 1159 O ILE A 72 3.282 4.267 -3.785 1.00 0.00 O ATOM 1160 CB ILE A 72 0.371 3.046 -2.618 1.00 0.00 C ATOM 1161 CG1 ILE A 72 1.140 1.833 -3.049 1.00 0.00 C ATOM 1162 CG2 ILE A 72 -0.663 3.371 -3.620 1.00 0.00 C ATOM 1163 CD1 ILE A 72 0.294 0.710 -3.563 1.00 0.00 C ATOM 0 H ILE A 72 -0.319 5.379 -1.768 1.00 0.00 H new ATOM 0 HA ILE A 72 2.054 3.879 -1.583 1.00 0.00 H new ATOM 0 HB ILE A 72 -0.149 2.843 -1.682 1.00 0.00 H new ATOM 0 HG12 ILE A 72 1.846 2.124 -3.827 1.00 0.00 H new ATOM 0 HG13 ILE A 72 1.727 1.472 -2.204 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -1.309 2.506 -3.770 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -1.259 4.213 -3.268 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -0.185 3.635 -4.564 1.00 0.00 H new ATOM 0 HD11 ILE A 72 0.933 -0.125 -3.851 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -0.395 0.387 -2.783 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -0.273 1.049 -4.430 1.00 0.00 H new ATOM 1175 N TYR A 73 1.475 5.410 -4.449 1.00 0.00 N ATOM 1176 CA TYR A 73 2.004 5.898 -5.696 1.00 0.00 C ATOM 1177 C TYR A 73 3.329 6.662 -5.471 1.00 0.00 C ATOM 1178 O TYR A 73 4.361 6.370 -6.139 1.00 0.00 O ATOM 1179 CB TYR A 73 0.920 6.790 -6.320 1.00 0.00 C ATOM 1180 CG TYR A 73 1.246 7.516 -7.595 1.00 0.00 C ATOM 1181 CD1 TYR A 73 1.890 8.736 -7.559 1.00 0.00 C ATOM 1182 CD2 TYR A 73 0.858 7.009 -8.828 1.00 0.00 C ATOM 1183 CE1 TYR A 73 2.151 9.436 -8.715 1.00 0.00 C ATOM 1184 CE2 TYR A 73 1.122 7.699 -9.993 1.00 0.00 C ATOM 1185 CZ TYR A 73 1.766 8.913 -9.933 1.00 0.00 C ATOM 1186 OH TYR A 73 2.038 9.610 -11.096 1.00 0.00 O ATOM 0 H TYR A 73 0.526 5.736 -4.266 1.00 0.00 H new ATOM 0 HA TYR A 73 2.245 5.077 -6.371 1.00 0.00 H new ATOM 0 HB2 TYR A 73 0.043 6.169 -6.505 1.00 0.00 H new ATOM 0 HB3 TYR A 73 0.633 7.534 -5.577 1.00 0.00 H new ATOM 0 HD1 TYR A 73 2.194 9.148 -6.608 1.00 0.00 H new ATOM 0 HD2 TYR A 73 0.342 6.061 -8.876 1.00 0.00 H new ATOM 0 HE1 TYR A 73 2.655 10.390 -8.669 1.00 0.00 H new ATOM 0 HE2 TYR A 73 0.825 7.288 -10.947 1.00 0.00 H new ATOM 0 HH TYR A 73 1.703 9.105 -11.866 1.00 0.00 H new ATOM 1196 N LYS A 74 3.334 7.596 -4.522 1.00 0.00 N ATOM 1197 CA LYS A 74 4.536 8.391 -4.260 1.00 0.00 C ATOM 1198 C LYS A 74 5.659 7.514 -3.692 1.00 0.00 C ATOM 1199 O LYS A 74 6.832 7.731 -3.987 1.00 0.00 O ATOM 1200 CB LYS A 74 4.244 9.583 -3.341 1.00 0.00 C ATOM 1201 CG LYS A 74 3.915 9.212 -1.908 1.00 0.00 C ATOM 1202 CD LYS A 74 3.566 10.433 -1.059 1.00 0.00 C ATOM 1203 CE LYS A 74 2.345 11.175 -1.585 1.00 0.00 C ATOM 1204 NZ LYS A 74 2.054 12.385 -0.796 1.00 0.00 N ATOM 0 H LYS A 74 2.535 7.820 -3.930 1.00 0.00 H new ATOM 0 HA LYS A 74 4.872 8.797 -5.214 1.00 0.00 H new ATOM 0 HB2 LYS A 74 5.110 10.245 -3.341 1.00 0.00 H new ATOM 0 HB3 LYS A 74 3.410 10.149 -3.756 1.00 0.00 H new ATOM 0 HG2 LYS A 74 3.078 8.514 -1.899 1.00 0.00 H new ATOM 0 HG3 LYS A 74 4.766 8.695 -1.464 1.00 0.00 H new ATOM 0 HD2 LYS A 74 3.382 10.118 -0.032 1.00 0.00 H new ATOM 0 HD3 LYS A 74 4.418 11.112 -1.036 1.00 0.00 H new ATOM 0 HE2 LYS A 74 2.509 11.452 -2.626 1.00 0.00 H new ATOM 0 HE3 LYS A 74 1.480 10.512 -1.564 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 1.216 12.861 -1.187 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 1.872 12.119 0.193 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 2.869 13.030 -0.837 1.00 0.00 H new ATOM 1218 N ILE A 75 5.285 6.503 -2.919 1.00 0.00 N ATOM 1219 CA ILE A 75 6.231 5.556 -2.378 1.00 0.00 C ATOM 1220 C ILE A 75 6.894 4.767 -3.521 1.00 0.00 C ATOM 1221 O ILE A 75 8.107 4.548 -3.514 1.00 0.00 O ATOM 1222 CB ILE A 75 5.536 4.600 -1.332 1.00 0.00 C ATOM 1223 CG1 ILE A 75 5.655 5.121 0.116 1.00 0.00 C ATOM 1224 CG2 ILE A 75 6.062 3.190 -1.409 1.00 0.00 C ATOM 1225 CD1 ILE A 75 5.104 6.506 0.376 1.00 0.00 C ATOM 0 H ILE A 75 4.317 6.323 -2.654 1.00 0.00 H new ATOM 0 HA ILE A 75 7.011 6.099 -1.844 1.00 0.00 H new ATOM 0 HB ILE A 75 4.481 4.591 -1.605 1.00 0.00 H new ATOM 0 HG12 ILE A 75 5.144 4.420 0.775 1.00 0.00 H new ATOM 0 HG13 ILE A 75 6.708 5.113 0.397 1.00 0.00 H new ATOM 0 HG21 ILE A 75 5.553 2.571 -0.670 1.00 0.00 H new ATOM 0 HG22 ILE A 75 5.881 2.788 -2.406 1.00 0.00 H new ATOM 0 HG23 ILE A 75 7.133 3.190 -1.207 1.00 0.00 H new ATOM 0 HD11 ILE A 75 5.244 6.762 1.426 1.00 0.00 H new ATOM 0 HD12 ILE A 75 5.629 7.230 -0.247 1.00 0.00 H new ATOM 0 HD13 ILE A 75 4.041 6.525 0.137 1.00 0.00 H new ATOM 1237 N GLN A 76 6.099 4.413 -4.528 1.00 0.00 N ATOM 1238 CA GLN A 76 6.599 3.640 -5.655 1.00 0.00 C ATOM 1239 C GLN A 76 7.652 4.402 -6.417 1.00 0.00 C ATOM 1240 O GLN A 76 8.725 3.873 -6.721 1.00 0.00 O ATOM 1241 CB GLN A 76 5.478 3.187 -6.578 1.00 0.00 C ATOM 1242 CG GLN A 76 4.437 2.378 -5.837 1.00 0.00 C ATOM 1243 CD GLN A 76 3.660 1.431 -6.697 1.00 0.00 C ATOM 1244 OE1 GLN A 76 4.144 0.943 -7.717 1.00 0.00 O ATOM 1245 NE2 GLN A 76 2.477 1.117 -6.269 1.00 0.00 N ATOM 0 H GLN A 76 5.108 4.650 -4.584 1.00 0.00 H new ATOM 0 HA GLN A 76 7.062 2.743 -5.245 1.00 0.00 H new ATOM 0 HB2 GLN A 76 5.006 4.058 -7.033 1.00 0.00 H new ATOM 0 HB3 GLN A 76 5.894 2.590 -7.390 1.00 0.00 H new ATOM 0 HG2 GLN A 76 4.930 1.811 -5.047 1.00 0.00 H new ATOM 0 HG3 GLN A 76 3.741 3.062 -5.351 1.00 0.00 H new ATOM 0 HE21 GLN A 76 2.112 1.545 -5.418 1.00 0.00 H new ATOM 0 HE22 GLN A 76 1.911 0.442 -6.783 1.00 0.00 H new ATOM 1254 N LYS A 77 7.380 5.655 -6.688 1.00 0.00 N ATOM 1255 CA LYS A 77 8.373 6.454 -7.381 1.00 0.00 C ATOM 1256 C LYS A 77 9.592 6.745 -6.553 1.00 0.00 C ATOM 1257 O LYS A 77 10.679 6.826 -7.097 1.00 0.00 O ATOM 1258 CB LYS A 77 7.788 7.670 -8.042 1.00 0.00 C ATOM 1259 CG LYS A 77 6.742 8.379 -7.227 1.00 0.00 C ATOM 1260 CD LYS A 77 5.710 9.007 -8.124 1.00 0.00 C ATOM 1261 CE LYS A 77 5.183 8.025 -9.210 1.00 0.00 C ATOM 1262 NZ LYS A 77 4.872 6.679 -8.718 1.00 0.00 N ATOM 0 H LYS A 77 6.512 6.135 -6.451 1.00 0.00 H new ATOM 0 HA LYS A 77 8.736 5.828 -8.196 1.00 0.00 H new ATOM 0 HB2 LYS A 77 8.593 8.370 -8.265 1.00 0.00 H new ATOM 0 HB3 LYS A 77 7.350 7.375 -8.995 1.00 0.00 H new ATOM 0 HG2 LYS A 77 6.262 7.674 -6.549 1.00 0.00 H new ATOM 0 HG3 LYS A 77 7.211 9.146 -6.610 1.00 0.00 H new ATOM 0 HD2 LYS A 77 4.873 9.357 -7.519 1.00 0.00 H new ATOM 0 HD3 LYS A 77 6.141 9.883 -8.610 1.00 0.00 H new ATOM 0 HE2 LYS A 77 4.285 8.449 -9.660 1.00 0.00 H new ATOM 0 HE3 LYS A 77 5.929 7.945 -10.001 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 3.983 6.350 -9.145 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 5.641 6.029 -8.976 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 4.771 6.702 -7.683 1.00 0.00 H new ATOM 1276 N GLU A 78 9.418 6.847 -5.242 1.00 0.00 N ATOM 1277 CA GLU A 78 10.537 7.056 -4.343 1.00 0.00 C ATOM 1278 C GLU A 78 11.499 5.886 -4.452 1.00 0.00 C ATOM 1279 O GLU A 78 12.678 6.079 -4.722 1.00 0.00 O ATOM 1280 CB GLU A 78 10.049 7.169 -2.900 1.00 0.00 C ATOM 1281 CG GLU A 78 11.105 7.631 -1.894 1.00 0.00 C ATOM 1282 CD GLU A 78 11.712 8.989 -2.204 1.00 0.00 C ATOM 1283 OE1 GLU A 78 11.199 9.727 -3.079 1.00 0.00 O ATOM 1284 OE2 GLU A 78 12.713 9.353 -1.567 1.00 0.00 O ATOM 0 H GLU A 78 8.510 6.788 -4.780 1.00 0.00 H new ATOM 0 HA GLU A 78 11.041 7.982 -4.622 1.00 0.00 H new ATOM 0 HB2 GLU A 78 9.211 7.865 -2.869 1.00 0.00 H new ATOM 0 HB3 GLU A 78 9.668 6.198 -2.584 1.00 0.00 H new ATOM 0 HG2 GLU A 78 10.654 7.665 -0.902 1.00 0.00 H new ATOM 0 HG3 GLU A 78 11.903 6.889 -1.856 1.00 0.00 H new ATOM 1291 N LEU A 79 10.970 4.670 -4.305 1.00 0.00 N ATOM 1292 CA LEU A 79 11.791 3.473 -4.329 1.00 0.00 C ATOM 1293 C LEU A 79 12.512 3.294 -5.657 1.00 0.00 C ATOM 1294 O LEU A 79 13.720 3.002 -5.677 1.00 0.00 O ATOM 1295 CB LEU A 79 10.993 2.205 -3.901 1.00 0.00 C ATOM 1296 CG LEU A 79 9.770 1.785 -4.740 1.00 0.00 C ATOM 1297 CD1 LEU A 79 10.156 0.953 -5.957 1.00 0.00 C ATOM 1298 CD2 LEU A 79 8.771 1.047 -3.899 1.00 0.00 C ATOM 0 H LEU A 79 9.974 4.495 -4.168 1.00 0.00 H new ATOM 0 HA LEU A 79 12.570 3.611 -3.579 1.00 0.00 H new ATOM 0 HB2 LEU A 79 11.688 1.366 -3.886 1.00 0.00 H new ATOM 0 HB3 LEU A 79 10.655 2.357 -2.876 1.00 0.00 H new ATOM 0 HG LEU A 79 9.313 2.704 -5.108 1.00 0.00 H new ATOM 0 HD11 LEU A 79 9.258 0.684 -6.513 1.00 0.00 H new ATOM 0 HD12 LEU A 79 10.820 1.533 -6.598 1.00 0.00 H new ATOM 0 HD13 LEU A 79 10.667 0.047 -5.631 1.00 0.00 H new ATOM 0 HD21 LEU A 79 7.918 0.762 -4.514 1.00 0.00 H new ATOM 0 HD22 LEU A 79 9.235 0.152 -3.484 1.00 0.00 H new ATOM 0 HD23 LEU A 79 8.434 1.690 -3.086 1.00 0.00 H new ATOM 1310 N GLU A 80 11.812 3.516 -6.762 1.00 0.00 N ATOM 1311 CA GLU A 80 12.427 3.321 -8.045 1.00 0.00 C ATOM 1312 C GLU A 80 13.487 4.366 -8.342 1.00 0.00 C ATOM 1313 O GLU A 80 14.575 4.013 -8.746 1.00 0.00 O ATOM 1314 CB GLU A 80 11.417 3.153 -9.192 1.00 0.00 C ATOM 1315 CG GLU A 80 10.450 4.294 -9.380 1.00 0.00 C ATOM 1316 CD GLU A 80 9.521 4.077 -10.550 1.00 0.00 C ATOM 1317 OE1 GLU A 80 9.885 4.439 -11.690 1.00 0.00 O ATOM 1318 OE2 GLU A 80 8.414 3.520 -10.364 1.00 0.00 O ATOM 0 H GLU A 80 10.840 3.824 -6.786 1.00 0.00 H new ATOM 0 HA GLU A 80 12.945 2.364 -7.980 1.00 0.00 H new ATOM 0 HB2 GLU A 80 11.969 3.012 -10.121 1.00 0.00 H new ATOM 0 HB3 GLU A 80 10.846 2.241 -9.019 1.00 0.00 H new ATOM 0 HG2 GLU A 80 9.861 4.421 -8.471 1.00 0.00 H new ATOM 0 HG3 GLU A 80 11.008 5.218 -9.530 1.00 0.00 H new ATOM 1325 N GLU A 81 13.217 5.636 -8.064 1.00 0.00 N ATOM 1326 CA GLU A 81 14.206 6.654 -8.373 1.00 0.00 C ATOM 1327 C GLU A 81 15.375 6.607 -7.404 1.00 0.00 C ATOM 1328 O GLU A 81 16.500 6.875 -7.799 1.00 0.00 O ATOM 1329 CB GLU A 81 13.634 8.071 -8.448 1.00 0.00 C ATOM 1330 CG GLU A 81 13.092 8.594 -7.147 1.00 0.00 C ATOM 1331 CD GLU A 81 12.681 10.024 -7.231 1.00 0.00 C ATOM 1332 OE1 GLU A 81 13.544 10.905 -7.011 1.00 0.00 O ATOM 1333 OE2 GLU A 81 11.504 10.305 -7.447 1.00 0.00 O ATOM 0 H GLU A 81 12.353 5.975 -7.640 1.00 0.00 H new ATOM 0 HA GLU A 81 14.562 6.411 -9.374 1.00 0.00 H new ATOM 0 HB2 GLU A 81 14.414 8.746 -8.800 1.00 0.00 H new ATOM 0 HB3 GLU A 81 12.838 8.089 -9.192 1.00 0.00 H new ATOM 0 HG2 GLU A 81 12.236 7.991 -6.846 1.00 0.00 H new ATOM 0 HG3 GLU A 81 13.849 8.482 -6.371 1.00 0.00 H new ATOM 1340 N LYS A 82 15.127 6.239 -6.135 1.00 0.00 N ATOM 1341 CA LYS A 82 16.219 6.165 -5.183 1.00 0.00 C ATOM 1342 C LYS A 82 17.172 5.055 -5.566 1.00 0.00 C ATOM 1343 O LYS A 82 18.387 5.212 -5.498 1.00 0.00 O ATOM 1344 CB LYS A 82 15.749 6.087 -3.670 1.00 0.00 C ATOM 1345 CG LYS A 82 15.019 4.798 -3.179 1.00 0.00 C ATOM 1346 CD LYS A 82 15.940 3.574 -3.017 1.00 0.00 C ATOM 1347 CE LYS A 82 17.089 3.813 -2.056 1.00 0.00 C ATOM 1348 NZ LYS A 82 18.060 2.696 -2.085 1.00 0.00 N ATOM 0 H LYS A 82 14.208 5.998 -5.765 1.00 0.00 H new ATOM 0 HA LYS A 82 16.760 7.110 -5.240 1.00 0.00 H new ATOM 0 HB2 LYS A 82 16.629 6.228 -3.043 1.00 0.00 H new ATOM 0 HB3 LYS A 82 15.087 6.933 -3.485 1.00 0.00 H new ATOM 0 HG2 LYS A 82 14.540 5.007 -2.223 1.00 0.00 H new ATOM 0 HG3 LYS A 82 14.226 4.551 -3.885 1.00 0.00 H new ATOM 0 HD2 LYS A 82 15.350 2.728 -2.664 1.00 0.00 H new ATOM 0 HD3 LYS A 82 16.342 3.298 -3.992 1.00 0.00 H new ATOM 0 HE2 LYS A 82 17.595 4.743 -2.315 1.00 0.00 H new ATOM 0 HE3 LYS A 82 16.700 3.933 -1.045 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 18.918 2.969 -1.565 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 17.637 1.857 -1.639 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 18.308 2.477 -3.071 1.00 0.00 H new ATOM 1362 N ARG A 83 16.606 3.944 -5.998 1.00 0.00 N ATOM 1363 CA ARG A 83 17.375 2.788 -6.374 1.00 0.00 C ATOM 1364 C ARG A 83 18.008 2.947 -7.776 1.00 0.00 C ATOM 1365 O ARG A 83 19.053 2.338 -8.075 1.00 0.00 O ATOM 1366 CB ARG A 83 16.503 1.508 -6.231 1.00 0.00 C ATOM 1367 CG ARG A 83 17.164 0.192 -6.639 1.00 0.00 C ATOM 1368 CD ARG A 83 18.514 -0.029 -5.964 1.00 0.00 C ATOM 1369 NE ARG A 83 18.477 -0.092 -4.501 1.00 0.00 N ATOM 1370 CZ ARG A 83 19.585 0.009 -3.739 1.00 0.00 C ATOM 1371 NH1 ARG A 83 20.757 0.287 -4.299 1.00 0.00 N ATOM 1372 NH2 ARG A 83 19.508 -0.121 -2.434 1.00 0.00 N ATOM 0 H ARG A 83 15.598 3.824 -6.096 1.00 0.00 H new ATOM 0 HA ARG A 83 18.220 2.685 -5.693 1.00 0.00 H new ATOM 0 HB2 ARG A 83 16.186 1.424 -5.192 1.00 0.00 H new ATOM 0 HB3 ARG A 83 15.602 1.639 -6.830 1.00 0.00 H new ATOM 0 HG2 ARG A 83 16.499 -0.635 -6.390 1.00 0.00 H new ATOM 0 HG3 ARG A 83 17.298 0.179 -7.721 1.00 0.00 H new ATOM 0 HD2 ARG A 83 18.943 -0.957 -6.341 1.00 0.00 H new ATOM 0 HD3 ARG A 83 19.186 0.776 -6.260 1.00 0.00 H new ATOM 0 HE ARG A 83 17.576 -0.217 -4.040 1.00 0.00 H new ATOM 0 HH11 ARG A 83 20.820 0.425 -5.308 1.00 0.00 H new ATOM 0 HH12 ARG A 83 21.594 0.363 -3.720 1.00 0.00 H new ATOM 0 HH21 ARG A 83 18.606 -0.299 -1.992 1.00 0.00 H new ATOM 0 HH22 ARG A 83 20.350 -0.044 -1.863 1.00 0.00 H new ATOM 1649 N LEU B 114 11.609 3.141 3.710 1.00 0.00 N ATOM 1650 CA LEU B 114 11.436 2.394 2.495 1.00 0.00 C ATOM 1651 C LEU B 114 12.789 1.883 2.018 1.00 0.00 C ATOM 1652 O LEU B 114 12.859 0.908 1.308 1.00 0.00 O ATOM 1653 CB LEU B 114 10.737 3.243 1.435 1.00 0.00 C ATOM 1654 CG LEU B 114 10.373 2.567 0.113 1.00 0.00 C ATOM 1655 CD1 LEU B 114 9.452 1.361 0.337 1.00 0.00 C ATOM 1656 CD2 LEU B 114 9.708 3.585 -0.788 1.00 0.00 C ATOM 0 HA LEU B 114 10.795 1.533 2.683 1.00 0.00 H new ATOM 0 HB2 LEU B 114 9.821 3.640 1.873 1.00 0.00 H new ATOM 0 HB3 LEU B 114 11.378 4.095 1.211 1.00 0.00 H new ATOM 0 HG LEU B 114 11.282 2.194 -0.358 1.00 0.00 H new ATOM 0 HD11 LEU B 114 9.212 0.903 -0.623 1.00 0.00 H new ATOM 0 HD12 LEU B 114 9.956 0.632 0.971 1.00 0.00 H new ATOM 0 HD13 LEU B 114 8.533 1.690 0.822 1.00 0.00 H new ATOM 0 HD21 LEU B 114 9.443 3.115 -1.735 1.00 0.00 H new ATOM 0 HD22 LEU B 114 8.806 3.963 -0.306 1.00 0.00 H new ATOM 0 HD23 LEU B 114 10.395 4.411 -0.973 1.00 0.00 H new ATOM 1668 N LEU B 115 13.865 2.547 2.443 1.00 0.00 N ATOM 1669 CA LEU B 115 15.215 2.072 2.183 1.00 0.00 C ATOM 1670 C LEU B 115 15.442 0.779 2.935 1.00 0.00 C ATOM 1671 O LEU B 115 16.034 -0.152 2.405 1.00 0.00 O ATOM 1672 CB LEU B 115 16.275 3.111 2.577 1.00 0.00 C ATOM 1673 CG LEU B 115 17.742 2.682 2.452 1.00 0.00 C ATOM 1674 CD1 LEU B 115 18.057 2.212 1.044 1.00 0.00 C ATOM 1675 CD2 LEU B 115 18.654 3.831 2.838 1.00 0.00 C ATOM 0 H LEU B 115 13.822 3.419 2.971 1.00 0.00 H new ATOM 0 HA LEU B 115 15.316 1.901 1.111 1.00 0.00 H new ATOM 0 HB2 LEU B 115 16.127 3.998 1.961 1.00 0.00 H new ATOM 0 HB3 LEU B 115 16.094 3.406 3.611 1.00 0.00 H new ATOM 0 HG LEU B 115 17.912 1.847 3.132 1.00 0.00 H new ATOM 0 HD11 LEU B 115 19.104 1.914 0.985 1.00 0.00 H new ATOM 0 HD12 LEU B 115 17.423 1.361 0.794 1.00 0.00 H new ATOM 0 HD13 LEU B 115 17.870 3.023 0.340 1.00 0.00 H new ATOM 0 HD21 LEU B 115 19.694 3.517 2.746 1.00 0.00 H new ATOM 0 HD22 LEU B 115 18.471 4.678 2.177 1.00 0.00 H new ATOM 0 HD23 LEU B 115 18.453 4.124 3.868 1.00 0.00 H new ATOM 1687 N THR B 116 14.968 0.721 4.161 1.00 0.00 N ATOM 1688 CA THR B 116 15.030 -0.495 4.942 1.00 0.00 C ATOM 1689 C THR B 116 14.275 -1.631 4.204 1.00 0.00 C ATOM 1690 O THR B 116 14.771 -2.762 4.106 1.00 0.00 O ATOM 1691 CB THR B 116 14.447 -0.245 6.348 1.00 0.00 C ATOM 1692 OG1 THR B 116 15.113 0.901 6.904 1.00 0.00 O ATOM 1693 CG2 THR B 116 14.685 -1.438 7.264 1.00 0.00 C ATOM 0 H THR B 116 14.532 1.508 4.641 1.00 0.00 H new ATOM 0 HA THR B 116 16.068 -0.804 5.061 1.00 0.00 H new ATOM 0 HB THR B 116 13.372 -0.085 6.265 1.00 0.00 H new ATOM 0 HG1 THR B 116 14.759 1.083 7.799 1.00 0.00 H new ATOM 0 HG21 THR B 116 14.263 -1.232 8.247 1.00 0.00 H new ATOM 0 HG22 THR B 116 14.207 -2.322 6.842 1.00 0.00 H new ATOM 0 HG23 THR B 116 15.756 -1.616 7.359 1.00 0.00 H new ATOM 1701 N SER B 117 13.120 -1.301 3.636 1.00 0.00 N ATOM 1702 CA SER B 117 12.354 -2.247 2.827 1.00 0.00 C ATOM 1703 C SER B 117 13.112 -2.608 1.517 1.00 0.00 C ATOM 1704 O SER B 117 13.133 -3.752 1.091 1.00 0.00 O ATOM 1705 CB SER B 117 11.027 -1.634 2.472 1.00 0.00 C ATOM 1706 OG SER B 117 10.315 -1.206 3.622 1.00 0.00 O ATOM 0 H SER B 117 12.690 -0.380 3.721 1.00 0.00 H new ATOM 0 HA SER B 117 12.211 -3.158 3.408 1.00 0.00 H new ATOM 0 HB2 SER B 117 11.186 -0.785 1.807 1.00 0.00 H new ATOM 0 HB3 SER B 117 10.427 -2.360 1.924 1.00 0.00 H new ATOM 0 HG SER B 117 9.370 -1.083 3.395 1.00 0.00 H new ATOM 1712 N ASP B 118 13.717 -1.609 0.902 1.00 0.00 N ATOM 1713 CA ASP B 118 14.517 -1.754 -0.331 1.00 0.00 C ATOM 1714 C ASP B 118 15.719 -2.659 -0.080 1.00 0.00 C ATOM 1715 O ASP B 118 16.146 -3.415 -0.944 1.00 0.00 O ATOM 1716 CB ASP B 118 14.939 -0.346 -0.816 1.00 0.00 C ATOM 1717 CG ASP B 118 15.958 -0.304 -1.939 1.00 0.00 C ATOM 1718 OD1 ASP B 118 15.673 -0.747 -3.063 1.00 0.00 O ATOM 1719 OD2 ASP B 118 17.057 0.230 -1.708 1.00 0.00 O ATOM 0 H ASP B 118 13.674 -0.648 1.241 1.00 0.00 H new ATOM 0 HA ASP B 118 13.925 -2.227 -1.114 1.00 0.00 H new ATOM 0 HB2 ASP B 118 14.046 0.186 -1.143 1.00 0.00 H new ATOM 0 HB3 ASP B 118 15.343 0.203 0.035 1.00 0.00 H new ATOM 1958 N MET B 141 -11.887 -0.368 -12.729 1.00 0.00 N ATOM 1959 CA MET B 141 -11.017 0.496 -11.972 1.00 0.00 C ATOM 1960 C MET B 141 -9.628 0.570 -12.555 1.00 0.00 C ATOM 1961 O MET B 141 -8.928 1.513 -12.304 1.00 0.00 O ATOM 1962 CB MET B 141 -10.957 0.066 -10.504 1.00 0.00 C ATOM 1963 CG MET B 141 -10.321 -1.299 -10.242 1.00 0.00 C ATOM 1964 SD MET B 141 -10.407 -1.794 -8.501 1.00 0.00 S ATOM 1965 CE MET B 141 -9.556 -0.437 -7.707 1.00 0.00 C ATOM 0 HA MET B 141 -11.446 1.496 -12.029 1.00 0.00 H new ATOM 0 HB2 MET B 141 -10.401 0.819 -9.946 1.00 0.00 H new ATOM 0 HB3 MET B 141 -11.971 0.057 -10.105 1.00 0.00 H new ATOM 0 HG2 MET B 141 -10.821 -2.050 -10.853 1.00 0.00 H new ATOM 0 HG3 MET B 141 -9.278 -1.275 -10.557 1.00 0.00 H new ATOM 0 HE1 MET B 141 -9.021 -0.805 -6.831 1.00 0.00 H new ATOM 0 HE2 MET B 141 -8.846 0.006 -8.406 1.00 0.00 H new ATOM 0 HE3 MET B 141 -10.281 0.317 -7.399 1.00 0.00 H new ATOM 1975 N GLU B 142 -9.267 -0.424 -13.341 1.00 0.00 N ATOM 1976 CA GLU B 142 -7.908 -0.580 -13.932 1.00 0.00 C ATOM 1977 C GLU B 142 -7.190 0.692 -14.395 1.00 0.00 C ATOM 1978 O GLU B 142 -6.086 0.965 -13.934 1.00 0.00 O ATOM 1979 CB GLU B 142 -7.872 -1.643 -15.012 1.00 0.00 C ATOM 1980 CG GLU B 142 -7.606 -3.027 -14.467 1.00 0.00 C ATOM 1981 CD GLU B 142 -6.239 -3.103 -13.820 1.00 0.00 C ATOM 1982 OE1 GLU B 142 -5.219 -3.149 -14.551 1.00 0.00 O ATOM 1983 OE2 GLU B 142 -6.150 -3.083 -12.591 1.00 0.00 O ATOM 0 H GLU B 142 -9.907 -1.173 -13.606 1.00 0.00 H new ATOM 0 HA GLU B 142 -7.324 -0.905 -13.071 1.00 0.00 H new ATOM 0 HB2 GLU B 142 -8.823 -1.645 -15.545 1.00 0.00 H new ATOM 0 HB3 GLU B 142 -7.100 -1.390 -15.738 1.00 0.00 H new ATOM 0 HG2 GLU B 142 -8.372 -3.288 -13.737 1.00 0.00 H new ATOM 0 HG3 GLU B 142 -7.672 -3.758 -15.273 1.00 0.00 H new ATOM 1990 N SER B 143 -7.796 1.481 -15.247 1.00 0.00 N ATOM 1991 CA SER B 143 -7.112 2.660 -15.750 1.00 0.00 C ATOM 1992 C SER B 143 -6.991 3.723 -14.640 1.00 0.00 C ATOM 1993 O SER B 143 -5.999 4.465 -14.561 1.00 0.00 O ATOM 1994 CB SER B 143 -7.821 3.216 -16.992 1.00 0.00 C ATOM 1995 OG SER B 143 -7.043 4.225 -17.616 1.00 0.00 O ATOM 0 H SER B 143 -8.741 1.339 -15.604 1.00 0.00 H new ATOM 0 HA SER B 143 -6.104 2.376 -16.053 1.00 0.00 H new ATOM 0 HB2 SER B 143 -8.009 2.408 -17.699 1.00 0.00 H new ATOM 0 HB3 SER B 143 -8.791 3.624 -16.709 1.00 0.00 H new ATOM 0 HG SER B 143 -7.516 4.562 -18.405 1.00 0.00 H new ATOM 2001 N ILE B 144 -7.963 3.732 -13.749 1.00 0.00 N ATOM 2002 CA ILE B 144 -8.004 4.680 -12.657 1.00 0.00 C ATOM 2003 C ILE B 144 -6.975 4.287 -11.593 1.00 0.00 C ATOM 2004 O ILE B 144 -6.222 5.120 -11.116 1.00 0.00 O ATOM 2005 CB ILE B 144 -9.429 4.751 -12.021 1.00 0.00 C ATOM 2006 CG1 ILE B 144 -10.496 5.102 -13.084 1.00 0.00 C ATOM 2007 CG2 ILE B 144 -9.476 5.747 -10.859 1.00 0.00 C ATOM 2008 CD1 ILE B 144 -10.281 6.439 -13.784 1.00 0.00 C ATOM 0 H ILE B 144 -8.747 3.080 -13.763 1.00 0.00 H new ATOM 0 HA ILE B 144 -7.763 5.667 -13.052 1.00 0.00 H new ATOM 0 HB ILE B 144 -9.657 3.762 -11.622 1.00 0.00 H new ATOM 0 HG12 ILE B 144 -10.514 4.313 -13.835 1.00 0.00 H new ATOM 0 HG13 ILE B 144 -11.476 5.110 -12.607 1.00 0.00 H new ATOM 0 HG21 ILE B 144 -10.482 5.771 -10.440 1.00 0.00 H new ATOM 0 HG22 ILE B 144 -8.769 5.440 -10.088 1.00 0.00 H new ATOM 0 HG23 ILE B 144 -9.210 6.740 -11.220 1.00 0.00 H new ATOM 0 HD11 ILE B 144 -11.076 6.601 -14.512 1.00 0.00 H new ATOM 0 HD12 ILE B 144 -10.295 7.242 -13.047 1.00 0.00 H new ATOM 0 HD13 ILE B 144 -9.318 6.432 -14.295 1.00 0.00 H new ATOM 2020 N ILE B 145 -6.920 3.004 -11.266 1.00 0.00 N ATOM 2021 CA ILE B 145 -5.998 2.512 -10.258 1.00 0.00 C ATOM 2022 C ILE B 145 -4.562 2.606 -10.765 1.00 0.00 C ATOM 2023 O ILE B 145 -3.642 2.821 -9.995 1.00 0.00 O ATOM 2024 CB ILE B 145 -6.352 1.067 -9.741 1.00 0.00 C ATOM 2025 CG1 ILE B 145 -5.445 0.673 -8.571 1.00 0.00 C ATOM 2026 CG2 ILE B 145 -6.260 0.033 -10.850 1.00 0.00 C ATOM 2027 CD1 ILE B 145 -5.810 -0.630 -7.908 1.00 0.00 C ATOM 0 H ILE B 145 -7.507 2.284 -11.687 1.00 0.00 H new ATOM 0 HA ILE B 145 -6.100 3.158 -9.386 1.00 0.00 H new ATOM 0 HB ILE B 145 -7.385 1.091 -9.394 1.00 0.00 H new ATOM 0 HG12 ILE B 145 -4.418 0.608 -8.930 1.00 0.00 H new ATOM 0 HG13 ILE B 145 -5.472 1.466 -7.824 1.00 0.00 H new ATOM 0 HG21 ILE B 145 -6.512 -0.950 -10.452 1.00 0.00 H new ATOM 0 HG22 ILE B 145 -6.957 0.291 -11.647 1.00 0.00 H new ATOM 0 HG23 ILE B 145 -5.245 0.015 -11.247 1.00 0.00 H new ATOM 0 HD11 ILE B 145 -5.116 -0.830 -7.092 1.00 0.00 H new ATOM 0 HD12 ILE B 145 -6.824 -0.566 -7.514 1.00 0.00 H new ATOM 0 HD13 ILE B 145 -5.754 -1.438 -8.638 1.00 0.00 H new ATOM 2039 N ARG B 146 -4.389 2.464 -12.062 1.00 0.00 N ATOM 2040 CA ARG B 146 -3.099 2.663 -12.675 1.00 0.00 C ATOM 2041 C ARG B 146 -2.681 4.125 -12.476 1.00 0.00 C ATOM 2042 O ARG B 146 -1.718 4.407 -11.770 1.00 0.00 O ATOM 2043 CB ARG B 146 -3.169 2.316 -14.172 1.00 0.00 C ATOM 2044 CG ARG B 146 -1.865 2.486 -14.946 1.00 0.00 C ATOM 2045 CD ARG B 146 -0.760 1.568 -14.440 1.00 0.00 C ATOM 2046 NE ARG B 146 -1.143 0.149 -14.480 1.00 0.00 N ATOM 2047 CZ ARG B 146 -0.362 -0.858 -14.892 1.00 0.00 C ATOM 2048 NH1 ARG B 146 0.842 -0.624 -15.420 1.00 0.00 N ATOM 2049 NH2 ARG B 146 -0.805 -2.105 -14.807 1.00 0.00 N ATOM 0 H ARG B 146 -5.132 2.210 -12.713 1.00 0.00 H new ATOM 0 HA ARG B 146 -2.360 2.010 -12.212 1.00 0.00 H new ATOM 0 HB2 ARG B 146 -3.499 1.282 -14.273 1.00 0.00 H new ATOM 0 HB3 ARG B 146 -3.932 2.941 -14.637 1.00 0.00 H new ATOM 0 HG2 ARG B 146 -2.045 2.284 -16.002 1.00 0.00 H new ATOM 0 HG3 ARG B 146 -1.535 3.522 -14.871 1.00 0.00 H new ATOM 0 HD2 ARG B 146 0.136 1.716 -15.043 1.00 0.00 H new ATOM 0 HD3 ARG B 146 -0.504 1.843 -13.417 1.00 0.00 H new ATOM 0 HE ARG B 146 -2.084 -0.089 -14.167 1.00 0.00 H new ATOM 0 HH11 ARG B 146 1.180 0.334 -15.515 1.00 0.00 H new ATOM 0 HH12 ARG B 146 1.424 -1.403 -15.729 1.00 0.00 H new ATOM 0 HH21 ARG B 146 -1.734 -2.292 -14.430 1.00 0.00 H new ATOM 0 HH22 ARG B 146 -0.217 -2.878 -15.119 1.00 0.00 H new ATOM 2063 N SER B 147 -3.477 5.033 -13.023 1.00 0.00 N ATOM 2064 CA SER B 147 -3.202 6.461 -12.968 1.00 0.00 C ATOM 2065 C SER B 147 -3.006 6.968 -11.534 1.00 0.00 C ATOM 2066 O SER B 147 -1.989 7.601 -11.220 1.00 0.00 O ATOM 2067 CB SER B 147 -4.353 7.238 -13.651 1.00 0.00 C ATOM 2068 OG SER B 147 -4.180 8.653 -13.566 1.00 0.00 O ATOM 0 H SER B 147 -4.336 4.798 -13.520 1.00 0.00 H new ATOM 0 HA SER B 147 -2.266 6.634 -13.498 1.00 0.00 H new ATOM 0 HB2 SER B 147 -4.414 6.944 -14.699 1.00 0.00 H new ATOM 0 HB3 SER B 147 -5.300 6.962 -13.187 1.00 0.00 H new ATOM 0 HG SER B 147 -4.466 8.965 -12.682 1.00 0.00 H new ATOM 2074 N GLU B 148 -3.965 6.693 -10.689 1.00 0.00 N ATOM 2075 CA GLU B 148 -3.990 7.233 -9.352 1.00 0.00 C ATOM 2076 C GLU B 148 -3.129 6.477 -8.367 1.00 0.00 C ATOM 2077 O GLU B 148 -2.376 7.073 -7.616 1.00 0.00 O ATOM 2078 CB GLU B 148 -5.420 7.301 -8.845 1.00 0.00 C ATOM 2079 CG GLU B 148 -6.344 8.028 -9.796 1.00 0.00 C ATOM 2080 CD GLU B 148 -5.839 9.397 -10.141 1.00 0.00 C ATOM 2081 OE1 GLU B 148 -5.967 10.312 -9.310 1.00 0.00 O ATOM 2082 OE2 GLU B 148 -5.333 9.590 -11.271 1.00 0.00 O ATOM 0 H GLU B 148 -4.755 6.086 -10.908 1.00 0.00 H new ATOM 0 HA GLU B 148 -3.563 8.233 -9.423 1.00 0.00 H new ATOM 0 HB2 GLU B 148 -5.793 6.289 -8.686 1.00 0.00 H new ATOM 0 HB3 GLU B 148 -5.434 7.802 -7.877 1.00 0.00 H new ATOM 0 HG2 GLU B 148 -6.456 7.443 -10.709 1.00 0.00 H new ATOM 0 HG3 GLU B 148 -7.334 8.110 -9.347 1.00 0.00 H new ATOM 2089 N LEU B 149 -3.225 5.180 -8.382 1.00 0.00 N ATOM 2090 CA LEU B 149 -2.626 4.397 -7.334 1.00 0.00 C ATOM 2091 C LEU B 149 -1.227 3.930 -7.665 1.00 0.00 C ATOM 2092 O LEU B 149 -0.376 3.885 -6.772 1.00 0.00 O ATOM 2093 CB LEU B 149 -3.597 3.241 -6.908 1.00 0.00 C ATOM 2094 CG LEU B 149 -3.216 2.352 -5.694 1.00 0.00 C ATOM 2095 CD1 LEU B 149 -4.456 1.789 -5.033 1.00 0.00 C ATOM 2096 CD2 LEU B 149 -2.346 1.193 -6.112 1.00 0.00 C ATOM 0 H LEU B 149 -3.708 4.642 -9.101 1.00 0.00 H new ATOM 0 HA LEU B 149 -2.485 5.041 -6.466 1.00 0.00 H new ATOM 0 HB2 LEU B 149 -4.569 3.687 -6.698 1.00 0.00 H new ATOM 0 HB3 LEU B 149 -3.727 2.585 -7.769 1.00 0.00 H new ATOM 0 HG LEU B 149 -2.670 2.988 -4.997 1.00 0.00 H new ATOM 0 HD11 LEU B 149 -4.166 1.169 -4.185 1.00 0.00 H new ATOM 0 HD12 LEU B 149 -5.087 2.607 -4.686 1.00 0.00 H new ATOM 0 HD13 LEU B 149 -5.009 1.185 -5.752 1.00 0.00 H new ATOM 0 HD21 LEU B 149 -2.098 0.591 -5.238 1.00 0.00 H new ATOM 0 HD22 LEU B 149 -2.882 0.579 -6.836 1.00 0.00 H new ATOM 0 HD23 LEU B 149 -1.429 1.571 -6.565 1.00 0.00 H new