USER MOD reduce.3.24.130724 H: found=0, std=0, add=783, rem=0, adj=32 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 46 TYR OH : rot 180:sc= 1.07 USER MOD Set 1.2: A 71 LYS NZ :NH3+ 167:sc= 1.23 (180deg=-0.00867) USER MOD Set 2.1: A 20 HIS : no HE2:sc= -0.0061 K(o=-0.0086,f=-1.6!) USER MOD Set 2.2: A 24 GLN : amide:sc=-0.00252 X(o=-0.0086,f=-0.4) USER MOD Set 3.1: A 17 HIS : no HE2:sc= 0.799 K(o=1.2,f=-1.9) USER MOD Set 3.2: A 21 LYS NZ :NH3+ -156:sc= 0.363 (180deg=-0.0295) USER MOD Single : A 4 LYS NZ :NH3+ 130:sc= 1.55 (180deg=1.09) USER MOD Single : A 7 HIS :FLIP no HE2:sc= -0.127 F(o=-0.76,f=-0.13) USER MOD Single : A 9 HIS :FLIP no HD1:sc= -0.203 F(o=-0.87,f=-0.2) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 GLN :FLIP amide:sc= -0.685 F(o=-1.7!,f=-0.69) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot -107:sc= -0.605 USER MOD Single : A 36 LYS NZ :NH3+ -162:sc= -1.34 (180deg=-1.93!) USER MOD Single : A 40 MET CE :methyl 177:sc= -3.97! (180deg=-4!) USER MOD Single : A 42 ASN :FLIP amide:sc= 0 F(o=-2,f=0) USER MOD Single : A 48 LYS NZ :NH3+ -166:sc= -0.0121 (180deg=-0.178) USER MOD Single : A 49 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.0903) USER MOD Single : A 54 MET CE :methyl 164:sc= -1.16 (180deg=-2.54!) USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 ASN : amide:sc= -0.328! X(o=-0.33!,f=-0.051) USER MOD Single : A 60 SER OG : rot 180:sc= 0.228 USER MOD Single : A 64 TYR OH : rot 22:sc= 0.957 USER MOD Single : A 65 TYR OH : rot 105:sc= 0.103 USER MOD Single : A 66 HIS : no HD1:sc= -0.0834 X(o=-0.083,f=0) 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 :FLIP amide:sc= -0.666 F(o=-2!,f=-0.67) USER MOD Single : A 77 LYS NZ :NH3+ -122:sc= -1.93! (180deg=-3.72!) USER MOD Single : A 82 LYS NZ :NH3+ 151:sc= 0.613 (180deg=-0.882!) USER MOD Single : B 116 THR OG1 : rot 180:sc= 0 USER MOD Single : B 117 SER OG : rot -101:sc= 0.388 USER MOD Single : B 141 MET CE :methyl -104:sc= -1.51! (180deg=-2.19) USER MOD Single : B 143 SER OG : rot 180:sc= 0.0588 USER MOD Single : B 147 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 50 N LYS A 4 -18.878 4.836 10.432 1.00 0.00 N ATOM 51 CA LYS A 4 -19.025 5.553 9.206 1.00 0.00 C ATOM 52 C LYS A 4 -19.748 4.662 8.229 1.00 0.00 C ATOM 53 O LYS A 4 -19.212 3.632 7.823 1.00 0.00 O ATOM 54 CB LYS A 4 -17.646 5.950 8.668 1.00 0.00 C ATOM 55 CG LYS A 4 -16.846 6.720 9.670 1.00 0.00 C ATOM 56 CD LYS A 4 -15.503 7.168 9.175 1.00 0.00 C ATOM 57 CE LYS A 4 -14.883 8.043 10.223 1.00 0.00 C ATOM 58 NZ LYS A 4 -13.787 8.869 9.693 1.00 0.00 N ATOM 0 HA LYS A 4 -19.598 6.467 9.360 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -17.098 5.052 8.381 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -17.769 6.550 7.766 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -17.417 7.596 9.978 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -16.706 6.103 10.557 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -14.866 6.307 8.974 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -15.607 7.714 8.237 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -15.648 8.691 10.649 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -14.505 7.420 11.034 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -13.931 9.860 9.975 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -12.881 8.529 10.074 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -13.773 8.803 8.655 1.00 0.00 H new ATOM 72 N GLY A 5 -20.957 5.067 7.862 1.00 0.00 N ATOM 73 CA GLY A 5 -21.858 4.278 7.017 1.00 0.00 C ATOM 74 C GLY A 5 -21.272 3.797 5.696 1.00 0.00 C ATOM 75 O GLY A 5 -21.761 2.825 5.109 1.00 0.00 O ATOM 0 H GLY A 5 -21.349 5.965 8.145 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -22.190 3.408 7.584 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -22.744 4.877 6.804 1.00 0.00 H new ATOM 79 N TRP A 6 -20.223 4.438 5.237 1.00 0.00 N ATOM 80 CA TRP A 6 -19.590 4.052 3.996 1.00 0.00 C ATOM 81 C TRP A 6 -18.856 2.716 4.119 1.00 0.00 C ATOM 82 O TRP A 6 -18.453 2.144 3.114 1.00 0.00 O ATOM 83 CB TRP A 6 -18.624 5.123 3.493 1.00 0.00 C ATOM 84 CG TRP A 6 -17.462 5.384 4.392 1.00 0.00 C ATOM 85 CD1 TRP A 6 -17.386 6.318 5.351 1.00 0.00 C ATOM 86 CD2 TRP A 6 -16.198 4.701 4.403 1.00 0.00 C ATOM 87 NE1 TRP A 6 -16.160 6.276 5.949 1.00 0.00 N ATOM 88 CE2 TRP A 6 -15.423 5.290 5.399 1.00 0.00 C ATOM 89 CE3 TRP A 6 -15.656 3.651 3.669 1.00 0.00 C ATOM 90 CZ2 TRP A 6 -14.143 4.872 5.687 1.00 0.00 C ATOM 91 CZ3 TRP A 6 -14.379 3.239 3.955 1.00 0.00 C ATOM 92 CH2 TRP A 6 -13.640 3.844 4.951 1.00 0.00 C ATOM 0 H TRP A 6 -19.788 5.232 5.706 1.00 0.00 H new ATOM 0 HA TRP A 6 -20.394 3.939 3.269 1.00 0.00 H new ATOM 0 HB2 TRP A 6 -18.249 4.824 2.514 1.00 0.00 H new ATOM 0 HB3 TRP A 6 -19.175 6.053 3.353 1.00 0.00 H new ATOM 0 HD1 TRP A 6 -18.179 7.003 5.612 1.00 0.00 H new ATOM 0 HE1 TRP A 6 -15.849 6.895 6.697 1.00 0.00 H new ATOM 0 HE3 TRP A 6 -16.229 3.170 2.890 1.00 0.00 H new ATOM 0 HZ2 TRP A 6 -13.561 5.342 6.466 1.00 0.00 H new ATOM 0 HZ3 TRP A 6 -13.945 2.427 3.391 1.00 0.00 H new ATOM 0 HH2 TRP A 6 -12.638 3.493 5.151 1.00 0.00 H new ATOM 103 N HIS A 7 -18.667 2.226 5.347 1.00 0.00 N ATOM 104 CA HIS A 7 -17.964 0.947 5.566 1.00 0.00 C ATOM 105 C HIS A 7 -18.666 -0.230 4.846 1.00 0.00 C ATOM 106 O HIS A 7 -18.061 -1.250 4.581 1.00 0.00 O ATOM 107 CB HIS A 7 -17.795 0.630 7.077 1.00 0.00 C ATOM 108 CG HIS A 7 -19.056 0.206 7.798 1.00 0.00 C ATOM 109 ND1 HIS A 7 -20.232 0.853 7.969 1.00 0.00 N flip ATOM 110 CD2 HIS A 7 -19.199 -1.001 8.442 1.00 0.00 C flip ATOM 111 CE1 HIS A 7 -21.091 0.055 8.704 1.00 0.00 C flip ATOM 112 NE2 HIS A 7 -20.420 -1.049 8.963 1.00 0.00 N flip ATOM 0 H HIS A 7 -18.985 2.685 6.200 1.00 0.00 H new ATOM 0 HA HIS A 7 -16.971 1.065 5.131 1.00 0.00 H new ATOM 0 HB2 HIS A 7 -17.053 -0.161 7.184 1.00 0.00 H new ATOM 0 HB3 HIS A 7 -17.393 1.513 7.573 1.00 0.00 H new ATOM 0 HD1 HIS A 7 -20.451 1.783 7.612 1.00 0.00 H new ATOM 0 HD2 HIS A 7 -18.449 -1.775 8.512 1.00 0.00 H new ATOM 0 HE1 HIS A 7 -22.102 0.289 9.003 1.00 0.00 H new ATOM 120 N GLU A 8 -19.934 -0.067 4.534 1.00 0.00 N ATOM 121 CA GLU A 8 -20.696 -1.097 3.839 1.00 0.00 C ATOM 122 C GLU A 8 -20.441 -1.022 2.339 1.00 0.00 C ATOM 123 O GLU A 8 -20.734 -1.949 1.593 1.00 0.00 O ATOM 124 CB GLU A 8 -22.170 -0.908 4.121 1.00 0.00 C ATOM 125 CG GLU A 8 -22.489 -0.940 5.591 1.00 0.00 C ATOM 126 CD GLU A 8 -23.927 -0.669 5.873 1.00 0.00 C ATOM 127 OE1 GLU A 8 -24.296 0.491 6.036 1.00 0.00 O ATOM 128 OE2 GLU A 8 -24.727 -1.628 5.924 1.00 0.00 O ATOM 0 H GLU A 8 -20.468 0.775 4.751 1.00 0.00 H new ATOM 0 HA GLU A 8 -20.380 -2.077 4.197 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -22.496 0.044 3.703 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -22.736 -1.689 3.614 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -22.221 -1.916 5.996 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -21.876 -0.202 6.108 1.00 0.00 H new ATOM 135 N HIS A 9 -19.847 0.066 1.924 1.00 0.00 N ATOM 136 CA HIS A 9 -19.581 0.338 0.518 1.00 0.00 C ATOM 137 C HIS A 9 -18.174 -0.119 0.150 1.00 0.00 C ATOM 138 O HIS A 9 -17.714 0.071 -0.981 1.00 0.00 O ATOM 139 CB HIS A 9 -19.684 1.847 0.236 1.00 0.00 C ATOM 140 CG HIS A 9 -21.041 2.471 0.432 1.00 0.00 C ATOM 141 ND1 HIS A 9 -21.785 2.609 1.561 1.00 0.00 N flip ATOM 142 CD2 HIS A 9 -21.752 3.104 -0.563 1.00 0.00 C flip ATOM 143 CE1 HIS A 9 -22.940 3.322 1.270 1.00 0.00 C flip ATOM 144 NE2 HIS A 9 -22.871 3.595 -0.023 1.00 0.00 N flip ATOM 0 H HIS A 9 -19.527 0.803 2.553 1.00 0.00 H new ATOM 0 HA HIS A 9 -20.319 -0.203 -0.074 1.00 0.00 H new ATOM 0 HB2 HIS A 9 -18.973 2.365 0.880 1.00 0.00 H new ATOM 0 HB3 HIS A 9 -19.371 2.025 -0.793 1.00 0.00 H new ATOM 0 HD2 HIS A 9 -21.457 3.189 -1.598 1.00 0.00 H new ATOM 0 HE1 HIS A 9 -23.729 3.596 1.955 1.00 0.00 H new ATOM 0 HE2 HIS A 9 -23.581 4.113 -0.541 1.00 0.00 H new ATOM 152 N VAL A 10 -17.494 -0.692 1.095 1.00 0.00 N ATOM 153 CA VAL A 10 -16.140 -1.121 0.899 1.00 0.00 C ATOM 154 C VAL A 10 -15.982 -2.574 1.339 1.00 0.00 C ATOM 155 O VAL A 10 -16.102 -2.902 2.512 1.00 0.00 O ATOM 156 CB VAL A 10 -15.157 -0.152 1.623 1.00 0.00 C ATOM 157 CG1 VAL A 10 -15.456 -0.001 3.092 1.00 0.00 C ATOM 158 CG2 VAL A 10 -13.702 -0.498 1.370 1.00 0.00 C ATOM 0 H VAL A 10 -17.862 -0.877 2.028 1.00 0.00 H new ATOM 0 HA VAL A 10 -15.890 -1.084 -0.161 1.00 0.00 H new ATOM 0 HB VAL A 10 -15.327 0.827 1.174 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -14.738 0.686 3.541 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -16.464 0.394 3.219 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -15.382 -0.973 3.580 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -13.063 0.209 1.898 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -13.500 -1.507 1.729 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -13.496 -0.445 0.301 1.00 0.00 H new ATOM 168 N THR A 11 -15.772 -3.441 0.396 1.00 0.00 N ATOM 169 CA THR A 11 -15.679 -4.842 0.693 1.00 0.00 C ATOM 170 C THR A 11 -14.231 -5.210 1.024 1.00 0.00 C ATOM 171 O THR A 11 -13.285 -4.502 0.616 1.00 0.00 O ATOM 172 CB THR A 11 -16.154 -5.664 -0.515 1.00 0.00 C ATOM 173 OG1 THR A 11 -17.294 -4.999 -1.104 1.00 0.00 O ATOM 174 CG2 THR A 11 -16.607 -7.040 -0.052 1.00 0.00 C ATOM 0 H THR A 11 -15.661 -3.204 -0.590 1.00 0.00 H new ATOM 0 HA THR A 11 -16.312 -5.064 1.552 1.00 0.00 H new ATOM 0 HB THR A 11 -15.338 -5.759 -1.232 1.00 0.00 H new ATOM 0 HG1 THR A 11 -17.608 -5.512 -1.878 1.00 0.00 H new ATOM 0 HG21 THR A 11 -16.943 -7.620 -0.911 1.00 0.00 H new ATOM 0 HG22 THR A 11 -15.775 -7.554 0.430 1.00 0.00 H new ATOM 0 HG23 THR A 11 -17.428 -6.933 0.657 1.00 0.00 H new ATOM 182 N GLN A 12 -14.064 -6.306 1.752 1.00 0.00 N ATOM 183 CA GLN A 12 -12.771 -6.832 2.131 1.00 0.00 C ATOM 184 C GLN A 12 -11.870 -7.031 0.905 1.00 0.00 C ATOM 185 O GLN A 12 -10.682 -6.755 0.968 1.00 0.00 O ATOM 186 CB GLN A 12 -12.964 -8.131 2.958 1.00 0.00 C ATOM 187 CG GLN A 12 -11.690 -8.824 3.486 1.00 0.00 C ATOM 188 CD GLN A 12 -10.923 -9.653 2.450 1.00 0.00 C ATOM 189 OE1 GLN A 12 -11.616 -10.190 1.470 1.00 0.00 O flip ATOM 190 NE2 GLN A 12 -9.705 -9.798 2.540 1.00 0.00 N flip ATOM 0 H GLN A 12 -14.845 -6.862 2.100 1.00 0.00 H new ATOM 0 HA GLN A 12 -12.255 -6.110 2.763 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -13.600 -7.897 3.812 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -13.508 -8.847 2.342 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -11.021 -8.063 3.887 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -11.966 -9.474 4.316 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -9.196 -9.368 3.312 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -9.204 -10.348 1.842 1.00 0.00 H new ATOM 199 N ASP A 13 -12.447 -7.458 -0.214 1.00 0.00 N ATOM 200 CA ASP A 13 -11.661 -7.678 -1.434 1.00 0.00 C ATOM 201 C ASP A 13 -11.035 -6.395 -1.946 1.00 0.00 C ATOM 202 O ASP A 13 -9.883 -6.401 -2.381 1.00 0.00 O ATOM 203 CB ASP A 13 -12.473 -8.332 -2.556 1.00 0.00 C ATOM 204 CG ASP A 13 -11.584 -8.742 -3.729 1.00 0.00 C ATOM 205 OD1 ASP A 13 -10.723 -9.631 -3.548 1.00 0.00 O ATOM 206 OD2 ASP A 13 -11.716 -8.186 -4.845 1.00 0.00 O ATOM 0 H ASP A 13 -13.443 -7.658 -0.307 1.00 0.00 H new ATOM 0 HA ASP A 13 -10.869 -8.368 -1.144 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -12.991 -9.209 -2.167 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -13.238 -7.638 -2.904 1.00 0.00 H new ATOM 211 N LEU A 14 -11.756 -5.276 -1.789 1.00 0.00 N ATOM 212 CA LEU A 14 -11.299 -3.993 -2.315 1.00 0.00 C ATOM 213 C LEU A 14 -10.136 -3.567 -1.491 1.00 0.00 C ATOM 214 O LEU A 14 -9.059 -3.322 -1.995 1.00 0.00 O ATOM 215 CB LEU A 14 -12.457 -2.938 -2.251 1.00 0.00 C ATOM 216 CG LEU A 14 -12.219 -1.479 -2.787 1.00 0.00 C ATOM 217 CD1 LEU A 14 -11.376 -0.642 -1.850 1.00 0.00 C ATOM 218 CD2 LEU A 14 -11.592 -1.479 -4.165 1.00 0.00 C ATOM 0 H LEU A 14 -12.653 -5.238 -1.304 1.00 0.00 H new ATOM 0 HA LEU A 14 -11.004 -4.081 -3.361 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -13.303 -3.351 -2.800 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -12.763 -2.855 -1.208 1.00 0.00 H new ATOM 0 HG LEU A 14 -13.209 -1.027 -2.847 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -11.245 0.355 -2.271 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -11.874 -0.565 -0.883 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -10.401 -1.112 -1.719 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -11.445 -0.452 -4.498 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -10.630 -1.990 -4.127 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -12.250 -1.996 -4.864 1.00 0.00 H new ATOM 230 N ARG A 15 -10.343 -3.571 -0.214 1.00 0.00 N ATOM 231 CA ARG A 15 -9.337 -3.154 0.697 1.00 0.00 C ATOM 232 C ARG A 15 -8.109 -4.033 0.663 1.00 0.00 C ATOM 233 O ARG A 15 -7.018 -3.529 0.573 1.00 0.00 O ATOM 234 CB ARG A 15 -9.895 -2.977 2.070 1.00 0.00 C ATOM 235 CG ARG A 15 -10.638 -4.119 2.642 1.00 0.00 C ATOM 236 CD ARG A 15 -11.443 -3.635 3.800 1.00 0.00 C ATOM 237 NE ARG A 15 -10.592 -2.851 4.745 1.00 0.00 N ATOM 238 CZ ARG A 15 -10.711 -2.792 6.078 1.00 0.00 C ATOM 239 NH1 ARG A 15 -11.760 -3.331 6.692 1.00 0.00 N ATOM 240 NH2 ARG A 15 -9.788 -2.159 6.785 1.00 0.00 N ATOM 0 H ARG A 15 -11.216 -3.864 0.223 1.00 0.00 H new ATOM 0 HA ARG A 15 -8.989 -2.175 0.366 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -9.071 -2.737 2.743 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -10.559 -2.112 2.058 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -11.289 -4.562 1.888 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -9.946 -4.898 2.962 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -12.265 -3.015 3.443 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -11.886 -4.484 4.321 1.00 0.00 H new ATOM 0 HE ARG A 15 -9.839 -2.301 4.331 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -12.486 -3.796 6.147 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -11.839 -3.279 7.708 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -8.996 -1.722 6.314 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -9.869 -2.108 7.800 1.00 0.00 H new ATOM 254 N SER A 16 -8.301 -5.345 0.642 1.00 0.00 N ATOM 255 CA SER A 16 -7.201 -6.290 0.578 1.00 0.00 C ATOM 256 C SER A 16 -6.403 -6.098 -0.722 1.00 0.00 C ATOM 257 O SER A 16 -5.185 -6.285 -0.748 1.00 0.00 O ATOM 258 CB SER A 16 -7.746 -7.721 0.688 1.00 0.00 C ATOM 259 OG SER A 16 -6.730 -8.708 0.558 1.00 0.00 O ATOM 0 H SER A 16 -9.223 -5.781 0.669 1.00 0.00 H new ATOM 0 HA SER A 16 -6.522 -6.111 1.412 1.00 0.00 H new ATOM 0 HB2 SER A 16 -8.244 -7.843 1.650 1.00 0.00 H new ATOM 0 HB3 SER A 16 -8.500 -7.878 -0.083 1.00 0.00 H new ATOM 0 HG SER A 16 -7.128 -9.600 0.637 1.00 0.00 H new ATOM 265 N HIS A 17 -7.093 -5.683 -1.774 1.00 0.00 N ATOM 266 CA HIS A 17 -6.484 -5.428 -3.072 1.00 0.00 C ATOM 267 C HIS A 17 -5.541 -4.226 -2.950 1.00 0.00 C ATOM 268 O HIS A 17 -4.394 -4.250 -3.427 1.00 0.00 O ATOM 269 CB HIS A 17 -7.604 -5.139 -4.093 1.00 0.00 C ATOM 270 CG HIS A 17 -7.195 -5.048 -5.527 1.00 0.00 C ATOM 271 ND1 HIS A 17 -7.410 -6.044 -6.450 1.00 0.00 N ATOM 272 CD2 HIS A 17 -6.634 -4.027 -6.206 1.00 0.00 C ATOM 273 CE1 HIS A 17 -6.982 -5.612 -7.630 1.00 0.00 C ATOM 274 NE2 HIS A 17 -6.497 -4.385 -7.541 1.00 0.00 N ATOM 0 H HIS A 17 -8.098 -5.512 -1.751 1.00 0.00 H new ATOM 0 HA HIS A 17 -5.910 -6.292 -3.407 1.00 0.00 H new ATOM 0 HB2 HIS A 17 -8.357 -5.921 -4.003 1.00 0.00 H new ATOM 0 HB3 HIS A 17 -8.084 -4.201 -3.815 1.00 0.00 H new ATOM 0 HD1 HIS A 17 -7.826 -6.956 -6.261 1.00 0.00 H new ATOM 0 HD2 HIS A 17 -6.338 -3.080 -5.779 1.00 0.00 H new ATOM 0 HE1 HIS A 17 -7.024 -6.187 -8.543 1.00 0.00 H new ATOM 282 N LEU A 18 -6.032 -3.201 -2.295 1.00 0.00 N ATOM 283 CA LEU A 18 -5.279 -1.984 -2.045 1.00 0.00 C ATOM 284 C LEU A 18 -4.122 -2.266 -1.086 1.00 0.00 C ATOM 285 O LEU A 18 -3.019 -1.790 -1.288 1.00 0.00 O ATOM 286 CB LEU A 18 -6.210 -0.871 -1.516 1.00 0.00 C ATOM 287 CG LEU A 18 -7.081 -0.103 -2.558 1.00 0.00 C ATOM 288 CD1 LEU A 18 -7.855 -1.008 -3.499 1.00 0.00 C ATOM 289 CD2 LEU A 18 -8.058 0.772 -1.851 1.00 0.00 C ATOM 0 H LEU A 18 -6.978 -3.184 -1.914 1.00 0.00 H new ATOM 0 HA LEU A 18 -4.851 -1.630 -2.983 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -6.880 -1.315 -0.780 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -5.596 -0.141 -0.989 1.00 0.00 H new ATOM 0 HG LEU A 18 -6.380 0.475 -3.161 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -8.436 -0.400 -4.193 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -7.158 -1.632 -4.059 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -8.528 -1.643 -2.922 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -8.664 1.306 -2.583 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -8.705 0.161 -1.221 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -7.521 1.490 -1.231 1.00 0.00 H new ATOM 301 N VAL A 19 -4.396 -3.078 -0.074 1.00 0.00 N ATOM 302 CA VAL A 19 -3.399 -3.559 0.898 1.00 0.00 C ATOM 303 C VAL A 19 -2.246 -4.271 0.157 1.00 0.00 C ATOM 304 O VAL A 19 -1.071 -3.983 0.386 1.00 0.00 O ATOM 305 CB VAL A 19 -4.069 -4.574 1.901 1.00 0.00 C ATOM 306 CG1 VAL A 19 -3.067 -5.277 2.732 1.00 0.00 C ATOM 307 CG2 VAL A 19 -5.042 -3.898 2.825 1.00 0.00 C ATOM 0 H VAL A 19 -5.335 -3.434 0.106 1.00 0.00 H new ATOM 0 HA VAL A 19 -3.009 -2.704 1.451 1.00 0.00 H new ATOM 0 HB VAL A 19 -4.597 -5.292 1.274 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -3.574 -5.966 3.408 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -2.387 -5.835 2.088 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -2.501 -4.549 3.313 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -5.478 -4.637 3.497 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -4.522 -3.138 3.409 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -5.833 -3.428 2.240 1.00 0.00 H new ATOM 317 N HIS A 20 -2.606 -5.191 -0.724 1.00 0.00 N ATOM 318 CA HIS A 20 -1.644 -5.940 -1.532 1.00 0.00 C ATOM 319 C HIS A 20 -0.773 -4.993 -2.375 1.00 0.00 C ATOM 320 O HIS A 20 0.447 -5.146 -2.450 1.00 0.00 O ATOM 321 CB HIS A 20 -2.399 -6.955 -2.416 1.00 0.00 C ATOM 322 CG HIS A 20 -1.579 -7.587 -3.497 1.00 0.00 C ATOM 323 ND1 HIS A 20 -1.768 -7.313 -4.822 1.00 0.00 N ATOM 324 CD2 HIS A 20 -0.550 -8.468 -3.439 1.00 0.00 C ATOM 325 CE1 HIS A 20 -0.889 -7.992 -5.526 1.00 0.00 C ATOM 326 NE2 HIS A 20 -0.113 -8.722 -4.738 1.00 0.00 N ATOM 0 H HIS A 20 -3.578 -5.444 -0.903 1.00 0.00 H new ATOM 0 HA HIS A 20 -0.970 -6.486 -0.872 1.00 0.00 H new ATOM 0 HB2 HIS A 20 -2.800 -7.742 -1.778 1.00 0.00 H new ATOM 0 HB3 HIS A 20 -3.251 -6.452 -2.874 1.00 0.00 H new ATOM 0 HD1 HIS A 20 -2.475 -6.684 -5.203 1.00 0.00 H new ATOM 0 HD2 HIS A 20 -0.139 -8.900 -2.539 1.00 0.00 H new ATOM 0 HE1 HIS A 20 -0.810 -7.959 -6.603 1.00 0.00 H new ATOM 334 N LYS A 21 -1.404 -4.016 -2.979 1.00 0.00 N ATOM 335 CA LYS A 21 -0.701 -3.026 -3.767 1.00 0.00 C ATOM 336 C LYS A 21 0.191 -2.159 -2.916 1.00 0.00 C ATOM 337 O LYS A 21 1.330 -1.864 -3.315 1.00 0.00 O ATOM 338 CB LYS A 21 -1.672 -2.223 -4.589 1.00 0.00 C ATOM 339 CG LYS A 21 -2.021 -2.923 -5.870 1.00 0.00 C ATOM 340 CD LYS A 21 -3.295 -2.395 -6.464 1.00 0.00 C ATOM 341 CE LYS A 21 -3.508 -2.924 -7.872 1.00 0.00 C ATOM 342 NZ LYS A 21 -3.552 -4.398 -7.943 1.00 0.00 N ATOM 0 H LYS A 21 -2.414 -3.882 -2.940 1.00 0.00 H new ATOM 0 HA LYS A 21 -0.039 -3.548 -4.458 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -2.579 -2.046 -4.011 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -1.241 -1.247 -4.813 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -1.208 -2.799 -6.585 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -2.122 -3.992 -5.684 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -4.138 -2.680 -5.835 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -3.266 -1.306 -6.483 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -4.440 -2.520 -8.267 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -2.706 -2.560 -8.514 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -3.293 -4.707 -8.902 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -2.881 -4.799 -7.257 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -4.513 -4.728 -7.721 1.00 0.00 H new ATOM 356 N LEU A 22 -0.316 -1.776 -1.740 1.00 0.00 N ATOM 357 CA LEU A 22 0.457 -1.054 -0.747 1.00 0.00 C ATOM 358 C LEU A 22 1.747 -1.781 -0.507 1.00 0.00 C ATOM 359 O LEU A 22 2.811 -1.189 -0.622 1.00 0.00 O ATOM 360 CB LEU A 22 -0.326 -0.928 0.562 1.00 0.00 C ATOM 361 CG LEU A 22 -1.265 0.269 0.700 1.00 0.00 C ATOM 362 CD1 LEU A 22 -2.271 0.026 1.811 1.00 0.00 C ATOM 363 CD2 LEU A 22 -0.451 1.468 1.078 1.00 0.00 C ATOM 0 H LEU A 22 -1.278 -1.963 -1.457 1.00 0.00 H new ATOM 0 HA LEU A 22 0.663 -0.049 -1.116 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -0.915 -1.836 0.693 1.00 0.00 H new ATOM 0 HB3 LEU A 22 0.391 -0.892 1.382 1.00 0.00 H new ATOM 0 HG LEU A 22 -1.789 0.420 -0.244 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -2.933 0.888 1.897 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -2.859 -0.862 1.581 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -1.744 -0.122 2.753 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -1.105 2.334 1.181 1.00 0.00 H new ATOM 0 HD22 LEU A 22 0.055 1.280 2.025 1.00 0.00 H new ATOM 0 HD23 LEU A 22 0.290 1.664 0.303 1.00 0.00 H new ATOM 375 N VAL A 23 1.632 -3.084 -0.240 1.00 0.00 N ATOM 376 CA VAL A 23 2.780 -3.959 -0.066 1.00 0.00 C ATOM 377 C VAL A 23 3.697 -3.896 -1.265 1.00 0.00 C ATOM 378 O VAL A 23 4.833 -3.642 -1.099 1.00 0.00 O ATOM 379 CB VAL A 23 2.369 -5.431 0.139 1.00 0.00 C ATOM 380 CG1 VAL A 23 3.602 -6.317 0.128 1.00 0.00 C ATOM 381 CG2 VAL A 23 1.623 -5.600 1.438 1.00 0.00 C ATOM 0 H VAL A 23 0.734 -3.558 -0.139 1.00 0.00 H new ATOM 0 HA VAL A 23 3.294 -3.603 0.827 1.00 0.00 H new ATOM 0 HB VAL A 23 1.709 -5.724 -0.677 1.00 0.00 H new ATOM 0 HG11 VAL A 23 3.305 -7.356 0.273 1.00 0.00 H new ATOM 0 HG12 VAL A 23 4.114 -6.216 -0.829 1.00 0.00 H new ATOM 0 HG13 VAL A 23 4.274 -6.016 0.932 1.00 0.00 H new ATOM 0 HG21 VAL A 23 1.342 -6.646 1.563 1.00 0.00 H new ATOM 0 HG22 VAL A 23 2.262 -5.294 2.267 1.00 0.00 H new ATOM 0 HG23 VAL A 23 0.725 -4.982 1.425 1.00 0.00 H new ATOM 391 N GLN A 24 3.172 -4.103 -2.472 1.00 0.00 N ATOM 392 CA GLN A 24 4.015 -4.118 -3.683 1.00 0.00 C ATOM 393 C GLN A 24 4.897 -2.871 -3.812 1.00 0.00 C ATOM 394 O GLN A 24 6.018 -2.949 -4.329 1.00 0.00 O ATOM 395 CB GLN A 24 3.199 -4.290 -4.960 1.00 0.00 C ATOM 396 CG GLN A 24 2.514 -5.633 -5.104 1.00 0.00 C ATOM 397 CD GLN A 24 1.891 -5.803 -6.476 1.00 0.00 C ATOM 398 OE1 GLN A 24 1.465 -4.836 -7.113 1.00 0.00 O ATOM 399 NE2 GLN A 24 1.847 -7.013 -6.947 1.00 0.00 N ATOM 0 H GLN A 24 2.179 -4.262 -2.644 1.00 0.00 H new ATOM 0 HA GLN A 24 4.663 -4.986 -3.560 1.00 0.00 H new ATOM 0 HB2 GLN A 24 2.442 -3.507 -4.998 1.00 0.00 H new ATOM 0 HB3 GLN A 24 3.856 -4.140 -5.817 1.00 0.00 H new ATOM 0 HG2 GLN A 24 3.237 -6.430 -4.932 1.00 0.00 H new ATOM 0 HG3 GLN A 24 1.743 -5.732 -4.340 1.00 0.00 H new ATOM 0 HE21 GLN A 24 2.208 -7.789 -6.393 1.00 0.00 H new ATOM 0 HE22 GLN A 24 1.451 -7.187 -7.871 1.00 0.00 H new ATOM 408 N ALA A 25 4.375 -1.731 -3.396 1.00 0.00 N ATOM 409 CA ALA A 25 5.142 -0.508 -3.405 1.00 0.00 C ATOM 410 C ALA A 25 6.055 -0.382 -2.183 1.00 0.00 C ATOM 411 O ALA A 25 7.209 -0.077 -2.308 1.00 0.00 O ATOM 412 CB ALA A 25 4.209 0.643 -3.425 1.00 0.00 C ATOM 0 H ALA A 25 3.421 -1.631 -3.048 1.00 0.00 H new ATOM 0 HA ALA A 25 5.775 -0.521 -4.292 1.00 0.00 H new ATOM 0 HB1 ALA A 25 4.778 1.573 -3.432 1.00 0.00 H new ATOM 0 HB2 ALA A 25 3.587 0.592 -4.319 1.00 0.00 H new ATOM 0 HB3 ALA A 25 3.575 0.613 -2.539 1.00 0.00 H new ATOM 418 N ILE A 26 5.531 -0.650 -1.007 1.00 0.00 N ATOM 419 CA ILE A 26 6.304 -0.428 0.219 1.00 0.00 C ATOM 420 C ILE A 26 7.326 -1.556 0.422 1.00 0.00 C ATOM 421 O ILE A 26 8.367 -1.390 1.048 1.00 0.00 O ATOM 422 CB ILE A 26 5.349 -0.236 1.455 1.00 0.00 C ATOM 423 CG1 ILE A 26 6.073 0.311 2.720 1.00 0.00 C ATOM 424 CG2 ILE A 26 4.609 -1.517 1.769 1.00 0.00 C ATOM 425 CD1 ILE A 26 6.729 -0.732 3.612 1.00 0.00 C ATOM 0 H ILE A 26 4.590 -1.016 -0.863 1.00 0.00 H new ATOM 0 HA ILE A 26 6.871 0.497 0.120 1.00 0.00 H new ATOM 0 HB ILE A 26 4.628 0.528 1.164 1.00 0.00 H new ATOM 0 HG12 ILE A 26 6.837 1.020 2.400 1.00 0.00 H new ATOM 0 HG13 ILE A 26 5.351 0.868 3.316 1.00 0.00 H new ATOM 0 HG21 ILE A 26 3.956 -1.359 2.627 1.00 0.00 H new ATOM 0 HG22 ILE A 26 4.011 -1.812 0.907 1.00 0.00 H new ATOM 0 HG23 ILE A 26 5.326 -2.304 2.000 1.00 0.00 H new ATOM 0 HD11 ILE A 26 7.202 -0.239 4.461 1.00 0.00 H new ATOM 0 HD12 ILE A 26 5.973 -1.430 3.973 1.00 0.00 H new ATOM 0 HD13 ILE A 26 7.482 -1.276 3.042 1.00 0.00 H new ATOM 437 N PHE A 27 7.025 -2.656 -0.139 1.00 0.00 N ATOM 438 CA PHE A 27 7.834 -3.806 -0.108 1.00 0.00 C ATOM 439 C PHE A 27 7.970 -4.335 -1.518 1.00 0.00 C ATOM 440 O PHE A 27 7.136 -5.139 -1.962 1.00 0.00 O ATOM 441 CB PHE A 27 7.205 -4.893 0.759 1.00 0.00 C ATOM 442 CG PHE A 27 7.151 -4.628 2.241 1.00 0.00 C ATOM 443 CD1 PHE A 27 8.293 -4.695 3.012 1.00 0.00 C ATOM 444 CD2 PHE A 27 5.951 -4.332 2.863 1.00 0.00 C ATOM 445 CE1 PHE A 27 8.239 -4.467 4.377 1.00 0.00 C ATOM 446 CE2 PHE A 27 5.892 -4.105 4.224 1.00 0.00 C ATOM 447 CZ PHE A 27 7.036 -4.171 4.981 1.00 0.00 C ATOM 0 H PHE A 27 6.159 -2.788 -0.662 1.00 0.00 H new ATOM 0 HA PHE A 27 8.805 -3.541 0.310 1.00 0.00 H new ATOM 0 HB2 PHE A 27 6.188 -5.064 0.406 1.00 0.00 H new ATOM 0 HB3 PHE A 27 7.758 -5.819 0.599 1.00 0.00 H new ATOM 0 HD1 PHE A 27 9.239 -4.928 2.546 1.00 0.00 H new ATOM 0 HD2 PHE A 27 5.047 -4.278 2.275 1.00 0.00 H new ATOM 0 HE1 PHE A 27 9.141 -4.521 4.969 1.00 0.00 H new ATOM 0 HE2 PHE A 27 4.947 -3.876 4.693 1.00 0.00 H new ATOM 0 HZ PHE A 27 6.993 -3.992 6.045 1.00 0.00 H new ATOM 457 N PRO A 28 8.942 -3.837 -2.296 1.00 0.00 N ATOM 458 CA PRO A 28 9.191 -4.367 -3.613 1.00 0.00 C ATOM 459 C PRO A 28 9.577 -5.836 -3.482 1.00 0.00 C ATOM 460 O PRO A 28 10.654 -6.179 -3.000 1.00 0.00 O ATOM 461 CB PRO A 28 10.342 -3.515 -4.169 1.00 0.00 C ATOM 462 CG PRO A 28 10.923 -2.813 -2.991 1.00 0.00 C ATOM 463 CD PRO A 28 9.839 -2.720 -1.959 1.00 0.00 C ATOM 0 HA PRO A 28 8.327 -4.324 -4.277 1.00 0.00 H new ATOM 0 HB2 PRO A 28 11.088 -4.138 -4.662 1.00 0.00 H new ATOM 0 HB3 PRO A 28 9.980 -2.803 -4.911 1.00 0.00 H new ATOM 0 HG2 PRO A 28 11.781 -3.360 -2.601 1.00 0.00 H new ATOM 0 HG3 PRO A 28 11.277 -1.820 -3.269 1.00 0.00 H new ATOM 0 HD2 PRO A 28 10.238 -2.817 -0.949 1.00 0.00 H new ATOM 0 HD3 PRO A 28 9.321 -1.762 -2.007 1.00 0.00 H new ATOM 471 N THR A 29 8.662 -6.688 -3.819 1.00 0.00 N ATOM 472 CA THR A 29 8.843 -8.083 -3.613 1.00 0.00 C ATOM 473 C THR A 29 9.860 -8.679 -4.604 1.00 0.00 C ATOM 474 O THR A 29 9.961 -8.228 -5.762 1.00 0.00 O ATOM 475 CB THR A 29 7.485 -8.838 -3.667 1.00 0.00 C ATOM 476 OG1 THR A 29 7.640 -10.175 -3.200 1.00 0.00 O ATOM 477 CG2 THR A 29 6.918 -8.862 -5.079 1.00 0.00 C ATOM 0 H THR A 29 7.770 -6.433 -4.244 1.00 0.00 H new ATOM 0 HA THR A 29 9.256 -8.215 -2.613 1.00 0.00 H new ATOM 0 HB THR A 29 6.789 -8.303 -3.021 1.00 0.00 H new ATOM 0 HG1 THR A 29 7.594 -10.794 -3.959 1.00 0.00 H new ATOM 0 HG21 THR A 29 5.969 -9.397 -5.081 1.00 0.00 H new ATOM 0 HG22 THR A 29 6.759 -7.841 -5.425 1.00 0.00 H new ATOM 0 HG23 THR A 29 7.620 -9.365 -5.744 1.00 0.00 H new ATOM 485 N PRO A 30 10.670 -9.638 -4.131 1.00 0.00 N ATOM 486 CA PRO A 30 11.629 -10.361 -4.966 1.00 0.00 C ATOM 487 C PRO A 30 10.925 -11.444 -5.808 1.00 0.00 C ATOM 488 O PRO A 30 11.341 -11.761 -6.927 1.00 0.00 O ATOM 489 CB PRO A 30 12.543 -11.016 -3.917 1.00 0.00 C ATOM 490 CG PRO A 30 11.631 -11.271 -2.769 1.00 0.00 C ATOM 491 CD PRO A 30 10.754 -10.064 -2.705 1.00 0.00 C ATOM 0 HA PRO A 30 12.151 -9.722 -5.678 1.00 0.00 H new ATOM 0 HB2 PRO A 30 12.985 -11.940 -4.291 1.00 0.00 H new ATOM 0 HB3 PRO A 30 13.367 -10.359 -3.637 1.00 0.00 H new ATOM 0 HG2 PRO A 30 11.046 -12.178 -2.922 1.00 0.00 H new ATOM 0 HG3 PRO A 30 12.189 -11.404 -1.842 1.00 0.00 H new ATOM 0 HD2 PRO A 30 9.772 -10.299 -2.295 1.00 0.00 H new ATOM 0 HD3 PRO A 30 11.184 -9.285 -2.075 1.00 0.00 H new ATOM 499 N ASP A 31 9.838 -11.965 -5.274 1.00 0.00 N ATOM 500 CA ASP A 31 9.082 -13.041 -5.885 1.00 0.00 C ATOM 501 C ASP A 31 7.629 -12.727 -5.742 1.00 0.00 C ATOM 502 O ASP A 31 7.205 -12.319 -4.665 1.00 0.00 O ATOM 503 CB ASP A 31 9.307 -14.386 -5.152 1.00 0.00 C ATOM 504 CG ASP A 31 10.691 -14.983 -5.243 1.00 0.00 C ATOM 505 OD1 ASP A 31 11.564 -14.612 -4.431 1.00 0.00 O ATOM 506 OD2 ASP A 31 10.903 -15.900 -6.066 1.00 0.00 O ATOM 0 H ASP A 31 9.448 -11.647 -4.387 1.00 0.00 H new ATOM 0 HA ASP A 31 9.403 -13.129 -6.923 1.00 0.00 H new ATOM 0 HB2 ASP A 31 9.066 -14.244 -4.099 1.00 0.00 H new ATOM 0 HB3 ASP A 31 8.596 -15.112 -5.547 1.00 0.00 H new ATOM 511 N PRO A 32 6.819 -12.907 -6.779 1.00 0.00 N ATOM 512 CA PRO A 32 5.378 -12.727 -6.659 1.00 0.00 C ATOM 513 C PRO A 32 4.759 -13.747 -5.687 1.00 0.00 C ATOM 514 O PRO A 32 3.666 -13.557 -5.173 1.00 0.00 O ATOM 515 CB PRO A 32 4.841 -12.913 -8.074 1.00 0.00 C ATOM 516 CG PRO A 32 5.930 -13.599 -8.833 1.00 0.00 C ATOM 517 CD PRO A 32 7.226 -13.232 -8.159 1.00 0.00 C ATOM 0 HA PRO A 32 5.125 -11.748 -6.251 1.00 0.00 H new ATOM 0 HB2 PRO A 32 3.929 -13.510 -8.071 1.00 0.00 H new ATOM 0 HB3 PRO A 32 4.592 -11.954 -8.528 1.00 0.00 H new ATOM 0 HG2 PRO A 32 5.784 -14.679 -8.828 1.00 0.00 H new ATOM 0 HG3 PRO A 32 5.933 -13.282 -9.876 1.00 0.00 H new ATOM 0 HD2 PRO A 32 7.938 -14.057 -8.183 1.00 0.00 H new ATOM 0 HD3 PRO A 32 7.705 -12.383 -8.646 1.00 0.00 H new ATOM 525 N ALA A 33 5.477 -14.818 -5.414 1.00 0.00 N ATOM 526 CA ALA A 33 5.005 -15.788 -4.455 1.00 0.00 C ATOM 527 C ALA A 33 5.310 -15.344 -3.024 1.00 0.00 C ATOM 528 O ALA A 33 4.715 -15.844 -2.085 1.00 0.00 O ATOM 529 CB ALA A 33 5.543 -17.177 -4.739 1.00 0.00 C ATOM 0 H ALA A 33 6.379 -15.035 -5.839 1.00 0.00 H new ATOM 0 HA ALA A 33 3.921 -15.845 -4.559 1.00 0.00 H new ATOM 0 HB1 ALA A 33 5.162 -17.874 -3.993 1.00 0.00 H new ATOM 0 HB2 ALA A 33 5.222 -17.496 -5.731 1.00 0.00 H new ATOM 0 HB3 ALA A 33 6.632 -17.161 -4.698 1.00 0.00 H new ATOM 535 N ALA A 34 6.201 -14.354 -2.851 1.00 0.00 N ATOM 536 CA ALA A 34 6.477 -13.818 -1.519 1.00 0.00 C ATOM 537 C ALA A 34 5.267 -13.042 -1.028 1.00 0.00 C ATOM 538 O ALA A 34 5.088 -12.824 0.163 1.00 0.00 O ATOM 539 CB ALA A 34 7.723 -12.947 -1.516 1.00 0.00 C ATOM 0 H ALA A 34 6.731 -13.919 -3.606 1.00 0.00 H new ATOM 0 HA ALA A 34 6.669 -14.649 -0.840 1.00 0.00 H new ATOM 0 HB1 ALA A 34 7.898 -12.566 -0.510 1.00 0.00 H new ATOM 0 HB2 ALA A 34 8.581 -13.539 -1.834 1.00 0.00 H new ATOM 0 HB3 ALA A 34 7.584 -12.111 -2.202 1.00 0.00 H new ATOM 545 N LEU A 35 4.398 -12.723 -1.975 1.00 0.00 N ATOM 546 CA LEU A 35 3.166 -11.990 -1.747 1.00 0.00 C ATOM 547 C LEU A 35 2.076 -12.923 -1.228 1.00 0.00 C ATOM 548 O LEU A 35 0.912 -12.580 -1.209 1.00 0.00 O ATOM 549 CB LEU A 35 2.712 -11.391 -3.060 1.00 0.00 C ATOM 550 CG LEU A 35 3.750 -10.555 -3.784 1.00 0.00 C ATOM 551 CD1 LEU A 35 3.300 -10.265 -5.188 1.00 0.00 C ATOM 552 CD2 LEU A 35 4.015 -9.277 -3.032 1.00 0.00 C ATOM 0 H LEU A 35 4.537 -12.976 -2.953 1.00 0.00 H new ATOM 0 HA LEU A 35 3.345 -11.211 -1.006 1.00 0.00 H new ATOM 0 HB2 LEU A 35 2.396 -12.199 -3.719 1.00 0.00 H new ATOM 0 HB3 LEU A 35 1.835 -10.771 -2.874 1.00 0.00 H new ATOM 0 HG LEU A 35 4.681 -11.120 -3.833 1.00 0.00 H new ATOM 0 HD11 LEU A 35 4.055 -9.664 -5.695 1.00 0.00 H new ATOM 0 HD12 LEU A 35 3.160 -11.202 -5.726 1.00 0.00 H new ATOM 0 HD13 LEU A 35 2.358 -9.718 -5.162 1.00 0.00 H new ATOM 0 HD21 LEU A 35 4.762 -8.689 -3.565 1.00 0.00 H new ATOM 0 HD22 LEU A 35 3.091 -8.704 -2.952 1.00 0.00 H new ATOM 0 HD23 LEU A 35 4.383 -9.512 -2.033 1.00 0.00 H new ATOM 564 N LYS A 36 2.418 -14.146 -1.014 1.00 0.00 N ATOM 565 CA LYS A 36 1.531 -15.066 -0.342 1.00 0.00 C ATOM 566 C LYS A 36 2.313 -15.914 0.655 1.00 0.00 C ATOM 567 O LYS A 36 1.804 -16.881 1.227 1.00 0.00 O ATOM 568 CB LYS A 36 0.768 -15.876 -1.380 1.00 0.00 C ATOM 569 CG LYS A 36 1.664 -16.447 -2.426 1.00 0.00 C ATOM 570 CD LYS A 36 0.928 -16.773 -3.720 1.00 0.00 C ATOM 571 CE LYS A 36 0.698 -15.533 -4.635 1.00 0.00 C ATOM 572 NZ LYS A 36 -0.182 -14.471 -4.056 1.00 0.00 N ATOM 0 H LYS A 36 3.313 -14.547 -1.293 1.00 0.00 H new ATOM 0 HA LYS A 36 0.786 -14.529 0.245 1.00 0.00 H new ATOM 0 HB2 LYS A 36 0.232 -16.685 -0.884 1.00 0.00 H new ATOM 0 HB3 LYS A 36 0.019 -15.241 -1.854 1.00 0.00 H new ATOM 0 HG2 LYS A 36 2.465 -15.739 -2.638 1.00 0.00 H new ATOM 0 HG3 LYS A 36 2.132 -17.353 -2.042 1.00 0.00 H new ATOM 0 HD2 LYS A 36 1.496 -17.522 -4.273 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -0.036 -17.219 -3.477 1.00 0.00 H new ATOM 0 HE2 LYS A 36 1.666 -15.091 -4.872 1.00 0.00 H new ATOM 0 HE3 LYS A 36 0.263 -15.871 -5.576 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -0.524 -13.850 -4.817 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -0.994 -14.914 -3.580 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 0.359 -13.909 -3.368 1.00 0.00 H new ATOM 586 N ASP A 37 3.546 -15.523 0.885 1.00 0.00 N ATOM 587 CA ASP A 37 4.462 -16.353 1.642 1.00 0.00 C ATOM 588 C ASP A 37 4.644 -15.786 3.061 1.00 0.00 C ATOM 589 O ASP A 37 3.896 -14.896 3.457 1.00 0.00 O ATOM 590 CB ASP A 37 5.791 -16.416 0.904 1.00 0.00 C ATOM 591 CG ASP A 37 6.519 -17.704 1.131 1.00 0.00 C ATOM 592 OD1 ASP A 37 7.239 -17.816 2.102 1.00 0.00 O ATOM 593 OD2 ASP A 37 6.373 -18.634 0.336 1.00 0.00 O ATOM 0 H ASP A 37 3.939 -14.639 0.561 1.00 0.00 H new ATOM 0 HA ASP A 37 4.059 -17.361 1.737 1.00 0.00 H new ATOM 0 HB2 ASP A 37 5.615 -16.287 -0.164 1.00 0.00 H new ATOM 0 HB3 ASP A 37 6.420 -15.586 1.226 1.00 0.00 H new ATOM 598 N ARG A 38 5.646 -16.268 3.815 1.00 0.00 N ATOM 599 CA ARG A 38 5.858 -15.824 5.222 1.00 0.00 C ATOM 600 C ARG A 38 6.155 -14.337 5.301 1.00 0.00 C ATOM 601 O ARG A 38 5.696 -13.655 6.197 1.00 0.00 O ATOM 602 CB ARG A 38 6.979 -16.620 5.975 1.00 0.00 C ATOM 603 CG ARG A 38 8.437 -16.286 5.609 1.00 0.00 C ATOM 604 CD ARG A 38 8.789 -16.759 4.234 1.00 0.00 C ATOM 605 NE ARG A 38 10.075 -16.284 3.764 1.00 0.00 N ATOM 606 CZ ARG A 38 10.586 -16.552 2.554 1.00 0.00 C ATOM 607 NH1 ARG A 38 9.894 -17.283 1.674 1.00 0.00 N ATOM 608 NH2 ARG A 38 11.763 -16.059 2.213 1.00 0.00 N ATOM 0 H ARG A 38 6.321 -16.959 3.487 1.00 0.00 H new ATOM 0 HA ARG A 38 4.916 -16.037 5.727 1.00 0.00 H new ATOM 0 HB2 ARG A 38 6.852 -16.455 7.045 1.00 0.00 H new ATOM 0 HB3 ARG A 38 6.819 -17.683 5.795 1.00 0.00 H new ATOM 0 HG2 ARG A 38 8.590 -15.209 5.673 1.00 0.00 H new ATOM 0 HG3 ARG A 38 9.108 -16.746 6.334 1.00 0.00 H new ATOM 0 HD2 ARG A 38 8.789 -17.849 4.224 1.00 0.00 H new ATOM 0 HD3 ARG A 38 8.015 -16.433 3.539 1.00 0.00 H new ATOM 0 HE ARG A 38 10.629 -15.707 4.397 1.00 0.00 H new ATOM 0 HH11 ARG A 38 8.971 -17.640 1.922 1.00 0.00 H new ATOM 0 HH12 ARG A 38 10.289 -17.483 0.755 1.00 0.00 H new ATOM 0 HH21 ARG A 38 12.281 -15.476 2.870 1.00 0.00 H new ATOM 0 HH22 ARG A 38 12.154 -16.262 1.293 1.00 0.00 H new ATOM 622 N ARG A 39 6.884 -13.830 4.324 1.00 0.00 N ATOM 623 CA ARG A 39 7.267 -12.439 4.318 1.00 0.00 C ATOM 624 C ARG A 39 6.018 -11.559 4.195 1.00 0.00 C ATOM 625 O ARG A 39 5.931 -10.502 4.822 1.00 0.00 O ATOM 626 CB ARG A 39 8.250 -12.155 3.175 1.00 0.00 C ATOM 627 CG ARG A 39 8.892 -10.764 3.209 1.00 0.00 C ATOM 628 CD ARG A 39 10.044 -10.622 4.236 1.00 0.00 C ATOM 629 NE ARG A 39 9.681 -10.916 5.642 1.00 0.00 N ATOM 630 CZ ARG A 39 9.872 -10.077 6.682 1.00 0.00 C ATOM 631 NH1 ARG A 39 10.271 -8.823 6.486 1.00 0.00 N ATOM 632 NH2 ARG A 39 9.655 -10.499 7.916 1.00 0.00 N ATOM 0 H ARG A 39 7.221 -14.366 3.524 1.00 0.00 H new ATOM 0 HA ARG A 39 7.769 -12.205 5.257 1.00 0.00 H new ATOM 0 HB2 ARG A 39 9.040 -12.905 3.200 1.00 0.00 H new ATOM 0 HB3 ARG A 39 7.727 -12.275 2.226 1.00 0.00 H new ATOM 0 HG2 ARG A 39 9.274 -10.528 2.216 1.00 0.00 H new ATOM 0 HG3 ARG A 39 8.123 -10.026 3.438 1.00 0.00 H new ATOM 0 HD2 ARG A 39 10.855 -11.288 3.941 1.00 0.00 H new ATOM 0 HD3 ARG A 39 10.432 -9.605 4.184 1.00 0.00 H new ATOM 0 HE ARG A 39 9.254 -11.821 5.839 1.00 0.00 H new ATOM 0 HH11 ARG A 39 10.437 -8.483 5.539 1.00 0.00 H new ATOM 0 HH12 ARG A 39 10.411 -8.202 7.283 1.00 0.00 H new ATOM 0 HH21 ARG A 39 9.344 -11.456 8.080 1.00 0.00 H new ATOM 0 HH22 ARG A 39 9.799 -9.867 8.704 1.00 0.00 H new ATOM 646 N MET A 40 5.019 -12.058 3.456 1.00 0.00 N ATOM 647 CA MET A 40 3.782 -11.353 3.217 1.00 0.00 C ATOM 648 C MET A 40 3.069 -11.053 4.512 1.00 0.00 C ATOM 649 O MET A 40 2.481 -10.045 4.604 1.00 0.00 O ATOM 650 CB MET A 40 2.843 -12.191 2.320 1.00 0.00 C ATOM 651 CG MET A 40 1.382 -11.700 2.246 1.00 0.00 C ATOM 652 SD MET A 40 0.975 -10.626 0.845 1.00 0.00 S ATOM 653 CE MET A 40 2.304 -9.475 0.802 1.00 0.00 C ATOM 0 H MET A 40 5.061 -12.974 3.008 1.00 0.00 H new ATOM 0 HA MET A 40 4.033 -10.417 2.718 1.00 0.00 H new ATOM 0 HB2 MET A 40 3.254 -12.208 1.310 1.00 0.00 H new ATOM 0 HB3 MET A 40 2.845 -13.219 2.683 1.00 0.00 H new ATOM 0 HG2 MET A 40 0.728 -12.571 2.212 1.00 0.00 H new ATOM 0 HG3 MET A 40 1.152 -11.165 3.167 1.00 0.00 H new ATOM 0 HE1 MET A 40 2.180 -8.807 -0.051 1.00 0.00 H new ATOM 0 HE2 MET A 40 2.310 -8.891 1.722 1.00 0.00 H new ATOM 0 HE3 MET A 40 3.248 -10.012 0.707 1.00 0.00 H new ATOM 663 N GLU A 41 3.165 -11.918 5.525 1.00 0.00 N ATOM 664 CA GLU A 41 2.405 -11.679 6.765 1.00 0.00 C ATOM 665 C GLU A 41 2.887 -10.387 7.452 1.00 0.00 C ATOM 666 O GLU A 41 2.103 -9.645 8.022 1.00 0.00 O ATOM 667 CB GLU A 41 2.451 -12.884 7.710 1.00 0.00 C ATOM 668 CG GLU A 41 3.733 -13.044 8.481 1.00 0.00 C ATOM 669 CD GLU A 41 3.863 -14.406 9.103 1.00 0.00 C ATOM 670 OE1 GLU A 41 3.334 -14.620 10.208 1.00 0.00 O ATOM 671 OE2 GLU A 41 4.485 -15.298 8.496 1.00 0.00 O ATOM 0 H GLU A 41 3.738 -12.762 5.520 1.00 0.00 H new ATOM 0 HA GLU A 41 1.358 -11.545 6.495 1.00 0.00 H new ATOM 0 HB2 GLU A 41 1.627 -12.801 8.419 1.00 0.00 H new ATOM 0 HB3 GLU A 41 2.281 -13.789 7.127 1.00 0.00 H new ATOM 0 HG2 GLU A 41 4.578 -12.870 7.815 1.00 0.00 H new ATOM 0 HG3 GLU A 41 3.781 -12.285 9.262 1.00 0.00 H new ATOM 678 N ASN A 42 4.180 -10.114 7.335 1.00 0.00 N ATOM 679 CA ASN A 42 4.773 -8.870 7.831 1.00 0.00 C ATOM 680 C ASN A 42 4.344 -7.723 6.947 1.00 0.00 C ATOM 681 O ASN A 42 3.929 -6.658 7.417 1.00 0.00 O ATOM 682 CB ASN A 42 6.313 -8.974 7.838 1.00 0.00 C ATOM 683 CG ASN A 42 6.996 -7.613 7.946 1.00 0.00 C ATOM 684 OD1 ASN A 42 7.336 -7.036 6.804 1.00 0.00 O flip ATOM 685 ND2 ASN A 42 7.232 -7.106 9.039 1.00 0.00 N flip ATOM 0 H ASN A 42 4.850 -10.745 6.895 1.00 0.00 H new ATOM 0 HA ASN A 42 4.430 -8.696 8.851 1.00 0.00 H new ATOM 0 HB2 ASN A 42 6.627 -9.600 8.673 1.00 0.00 H new ATOM 0 HB3 ASN A 42 6.644 -9.470 6.925 1.00 0.00 H new ATOM 0 HD21 ASN A 42 6.952 -7.585 9.895 1.00 0.00 H new ATOM 0 HD22 ASN A 42 7.708 -6.205 9.091 1.00 0.00 H new ATOM 692 N LEU A 43 4.434 -7.977 5.666 1.00 0.00 N ATOM 693 CA LEU A 43 4.096 -7.025 4.632 1.00 0.00 C ATOM 694 C LEU A 43 2.648 -6.542 4.788 1.00 0.00 C ATOM 695 O LEU A 43 2.376 -5.340 4.856 1.00 0.00 O ATOM 696 CB LEU A 43 4.278 -7.685 3.261 1.00 0.00 C ATOM 697 CG LEU A 43 5.696 -7.794 2.639 1.00 0.00 C ATOM 698 CD1 LEU A 43 6.811 -7.845 3.640 1.00 0.00 C ATOM 699 CD2 LEU A 43 5.824 -8.951 1.666 1.00 0.00 C ATOM 0 H LEU A 43 4.753 -8.875 5.301 1.00 0.00 H new ATOM 0 HA LEU A 43 4.755 -6.161 4.719 1.00 0.00 H new ATOM 0 HB2 LEU A 43 3.875 -8.695 3.331 1.00 0.00 H new ATOM 0 HB3 LEU A 43 3.653 -7.141 2.553 1.00 0.00 H new ATOM 0 HG LEU A 43 5.806 -6.859 2.089 1.00 0.00 H new ATOM 0 HD11 LEU A 43 7.765 -7.921 3.118 1.00 0.00 H new ATOM 0 HD12 LEU A 43 6.799 -6.938 4.245 1.00 0.00 H new ATOM 0 HD13 LEU A 43 6.681 -8.713 4.286 1.00 0.00 H new ATOM 0 HD21 LEU A 43 6.836 -8.977 1.263 1.00 0.00 H new ATOM 0 HD22 LEU A 43 5.615 -9.887 2.184 1.00 0.00 H new ATOM 0 HD23 LEU A 43 5.112 -8.821 0.851 1.00 0.00 H new ATOM 711 N VAL A 44 1.743 -7.492 4.872 1.00 0.00 N ATOM 712 CA VAL A 44 0.343 -7.229 5.013 1.00 0.00 C ATOM 713 C VAL A 44 0.027 -6.667 6.366 1.00 0.00 C ATOM 714 O VAL A 44 -0.854 -5.886 6.468 1.00 0.00 O ATOM 715 CB VAL A 44 -0.574 -8.451 4.683 1.00 0.00 C ATOM 716 CG1 VAL A 44 -0.457 -8.843 3.250 1.00 0.00 C ATOM 717 CG2 VAL A 44 -0.334 -9.633 5.604 1.00 0.00 C ATOM 0 H VAL A 44 1.972 -8.485 4.843 1.00 0.00 H new ATOM 0 HA VAL A 44 0.113 -6.477 4.258 1.00 0.00 H new ATOM 0 HB VAL A 44 -1.599 -8.127 4.862 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -1.107 -9.696 3.052 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -0.754 -8.006 2.618 1.00 0.00 H new ATOM 0 HG13 VAL A 44 0.575 -9.115 3.030 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -0.999 -10.451 5.327 1.00 0.00 H new ATOM 0 HG22 VAL A 44 0.702 -9.961 5.513 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -0.532 -9.338 6.634 1.00 0.00 H new ATOM 727 N ALA A 45 0.771 -7.058 7.396 1.00 0.00 N ATOM 728 CA ALA A 45 0.583 -6.485 8.735 1.00 0.00 C ATOM 729 C ALA A 45 0.717 -4.950 8.663 1.00 0.00 C ATOM 730 O ALA A 45 -0.155 -4.206 9.138 1.00 0.00 O ATOM 731 CB ALA A 45 1.596 -7.072 9.715 1.00 0.00 C ATOM 0 H ALA A 45 1.505 -7.763 7.336 1.00 0.00 H new ATOM 0 HA ALA A 45 -0.415 -6.736 9.095 1.00 0.00 H new ATOM 0 HB1 ALA A 45 1.442 -6.636 10.702 1.00 0.00 H new ATOM 0 HB2 ALA A 45 1.464 -8.153 9.771 1.00 0.00 H new ATOM 0 HB3 ALA A 45 2.606 -6.847 9.373 1.00 0.00 H new ATOM 737 N TYR A 46 1.786 -4.493 8.014 1.00 0.00 N ATOM 738 CA TYR A 46 1.996 -3.062 7.768 1.00 0.00 C ATOM 739 C TYR A 46 0.910 -2.501 6.866 1.00 0.00 C ATOM 740 O TYR A 46 0.347 -1.451 7.148 1.00 0.00 O ATOM 741 CB TYR A 46 3.389 -2.799 7.132 1.00 0.00 C ATOM 742 CG TYR A 46 3.519 -1.425 6.452 1.00 0.00 C ATOM 743 CD1 TYR A 46 3.144 -1.252 5.116 1.00 0.00 C ATOM 744 CD2 TYR A 46 3.972 -0.318 7.134 1.00 0.00 C ATOM 745 CE1 TYR A 46 3.221 -0.027 4.503 1.00 0.00 C ATOM 746 CE2 TYR A 46 4.051 0.912 6.510 1.00 0.00 C ATOM 747 CZ TYR A 46 3.675 1.048 5.203 1.00 0.00 C ATOM 748 OH TYR A 46 3.773 2.276 4.588 1.00 0.00 O ATOM 0 H TYR A 46 2.524 -5.093 7.647 1.00 0.00 H new ATOM 0 HA TYR A 46 1.952 -2.557 8.733 1.00 0.00 H new ATOM 0 HB2 TYR A 46 4.152 -2.883 7.906 1.00 0.00 H new ATOM 0 HB3 TYR A 46 3.594 -3.577 6.397 1.00 0.00 H new ATOM 0 HD1 TYR A 46 2.786 -2.102 4.554 1.00 0.00 H new ATOM 0 HD2 TYR A 46 4.269 -0.412 8.168 1.00 0.00 H new ATOM 0 HE1 TYR A 46 2.923 0.083 3.471 1.00 0.00 H new ATOM 0 HE2 TYR A 46 4.412 1.770 7.058 1.00 0.00 H new ATOM 0 HH TYR A 46 4.113 2.936 5.228 1.00 0.00 H new ATOM 758 N ALA A 47 0.646 -3.169 5.780 1.00 0.00 N ATOM 759 CA ALA A 47 -0.306 -2.669 4.825 1.00 0.00 C ATOM 760 C ALA A 47 -1.690 -2.526 5.440 1.00 0.00 C ATOM 761 O ALA A 47 -2.330 -1.535 5.245 1.00 0.00 O ATOM 762 CB ALA A 47 -0.307 -3.516 3.590 1.00 0.00 C ATOM 0 H ALA A 47 1.075 -4.061 5.532 1.00 0.00 H new ATOM 0 HA ALA A 47 -0.002 -1.666 4.527 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -1.033 -3.122 2.879 1.00 0.00 H new ATOM 0 HB2 ALA A 47 0.685 -3.503 3.139 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -0.574 -4.540 3.851 1.00 0.00 H new ATOM 768 N LYS A 48 -2.078 -3.491 6.249 1.00 0.00 N ATOM 769 CA LYS A 48 -3.361 -3.493 6.953 1.00 0.00 C ATOM 770 C LYS A 48 -3.436 -2.377 7.976 1.00 0.00 C ATOM 771 O LYS A 48 -4.471 -1.726 8.114 1.00 0.00 O ATOM 772 CB LYS A 48 -3.552 -4.813 7.676 1.00 0.00 C ATOM 773 CG LYS A 48 -3.812 -6.006 6.771 1.00 0.00 C ATOM 774 CD LYS A 48 -3.648 -7.299 7.541 1.00 0.00 C ATOM 775 CE LYS A 48 -4.067 -8.506 6.722 1.00 0.00 C ATOM 776 NZ LYS A 48 -5.516 -8.526 6.479 1.00 0.00 N ATOM 0 H LYS A 48 -1.507 -4.313 6.444 1.00 0.00 H new ATOM 0 HA LYS A 48 -4.142 -3.346 6.207 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -2.663 -5.015 8.273 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -4.387 -4.713 8.370 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -4.820 -5.946 6.360 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -3.122 -5.988 5.927 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -2.607 -7.411 7.844 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -4.243 -7.256 8.453 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -3.539 -8.499 5.768 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -3.773 -9.418 7.242 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -5.797 -9.465 6.131 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -6.020 -8.320 7.365 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -5.759 -7.807 5.768 1.00 0.00 H new ATOM 790 N LYS A 49 -2.351 -2.169 8.712 1.00 0.00 N ATOM 791 CA LYS A 49 -2.327 -1.141 9.739 1.00 0.00 C ATOM 792 C LYS A 49 -2.453 0.256 9.097 1.00 0.00 C ATOM 793 O LYS A 49 -3.218 1.128 9.573 1.00 0.00 O ATOM 794 CB LYS A 49 -1.060 -1.285 10.647 1.00 0.00 C ATOM 795 CG LYS A 49 0.258 -1.015 10.018 1.00 0.00 C ATOM 796 CD LYS A 49 1.401 -1.307 10.984 1.00 0.00 C ATOM 797 CE LYS A 49 2.714 -0.694 10.513 1.00 0.00 C ATOM 798 NZ LYS A 49 2.728 0.781 10.662 1.00 0.00 N ATOM 0 H LYS A 49 -1.483 -2.696 8.616 1.00 0.00 H new ATOM 0 HA LYS A 49 -3.187 -1.270 10.396 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -1.174 -0.611 11.496 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -1.043 -2.299 11.046 1.00 0.00 H new ATOM 0 HG2 LYS A 49 0.369 -1.628 9.123 1.00 0.00 H new ATOM 0 HG3 LYS A 49 0.305 0.026 9.699 1.00 0.00 H new ATOM 0 HD2 LYS A 49 1.151 -0.916 11.970 1.00 0.00 H new ATOM 0 HD3 LYS A 49 1.521 -2.385 11.089 1.00 0.00 H new ATOM 0 HE2 LYS A 49 3.538 -1.123 11.083 1.00 0.00 H new ATOM 0 HE3 LYS A 49 2.880 -0.954 9.467 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 3.696 1.135 10.525 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 2.100 1.208 9.951 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 2.397 1.037 11.614 1.00 0.00 H new ATOM 812 N VAL A 50 -1.768 0.425 7.983 1.00 0.00 N ATOM 813 CA VAL A 50 -1.784 1.662 7.231 1.00 0.00 C ATOM 814 C VAL A 50 -3.131 1.849 6.537 1.00 0.00 C ATOM 815 O VAL A 50 -3.745 2.910 6.638 1.00 0.00 O ATOM 816 CB VAL A 50 -0.611 1.690 6.209 1.00 0.00 C ATOM 817 CG1 VAL A 50 -0.692 2.879 5.272 1.00 0.00 C ATOM 818 CG2 VAL A 50 0.700 1.732 6.954 1.00 0.00 C ATOM 0 H VAL A 50 -1.180 -0.300 7.572 1.00 0.00 H new ATOM 0 HA VAL A 50 -1.647 2.494 7.921 1.00 0.00 H new ATOM 0 HB VAL A 50 -0.681 0.787 5.603 1.00 0.00 H new ATOM 0 HG11 VAL A 50 0.148 2.854 4.578 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -1.626 2.838 4.712 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -0.657 3.802 5.851 1.00 0.00 H new ATOM 0 HG21 VAL A 50 1.524 1.752 6.240 1.00 0.00 H new ATOM 0 HG22 VAL A 50 0.737 2.627 7.575 1.00 0.00 H new ATOM 0 HG23 VAL A 50 0.788 0.848 7.585 1.00 0.00 H new ATOM 828 N GLU A 51 -3.591 0.800 5.880 1.00 0.00 N ATOM 829 CA GLU A 51 -4.866 0.787 5.177 1.00 0.00 C ATOM 830 C GLU A 51 -5.982 1.114 6.156 1.00 0.00 C ATOM 831 O GLU A 51 -6.783 1.995 5.897 1.00 0.00 O ATOM 832 CB GLU A 51 -5.046 -0.594 4.500 1.00 0.00 C ATOM 833 CG GLU A 51 -6.281 -0.809 3.627 1.00 0.00 C ATOM 834 CD GLU A 51 -7.559 -1.085 4.432 1.00 0.00 C ATOM 835 OE1 GLU A 51 -7.460 -1.566 5.571 1.00 0.00 O ATOM 836 OE2 GLU A 51 -8.662 -0.909 3.920 1.00 0.00 O ATOM 0 H GLU A 51 -3.083 -0.082 5.817 1.00 0.00 H new ATOM 0 HA GLU A 51 -4.895 1.545 4.394 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -4.166 -0.782 3.885 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -5.055 -1.351 5.284 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -6.436 0.074 3.006 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -6.098 -1.645 2.952 1.00 0.00 H new ATOM 843 N GLY A 52 -5.964 0.447 7.311 1.00 0.00 N ATOM 844 CA GLY A 52 -6.952 0.672 8.348 1.00 0.00 C ATOM 845 C GLY A 52 -6.974 2.105 8.808 1.00 0.00 C ATOM 846 O GLY A 52 -8.039 2.669 9.044 1.00 0.00 O ATOM 0 H GLY A 52 -5.266 -0.258 7.546 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -7.938 0.397 7.974 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -6.740 0.022 9.197 1.00 0.00 H new ATOM 850 N ASP A 53 -5.799 2.691 8.916 1.00 0.00 N ATOM 851 CA ASP A 53 -5.650 4.102 9.303 1.00 0.00 C ATOM 852 C ASP A 53 -6.365 5.021 8.301 1.00 0.00 C ATOM 853 O ASP A 53 -7.208 5.824 8.673 1.00 0.00 O ATOM 854 CB ASP A 53 -4.175 4.449 9.338 1.00 0.00 C ATOM 855 CG ASP A 53 -3.875 5.834 9.848 1.00 0.00 C ATOM 856 OD1 ASP A 53 -4.003 6.816 9.085 1.00 0.00 O ATOM 857 OD2 ASP A 53 -3.461 5.964 11.016 1.00 0.00 O ATOM 0 H ASP A 53 -4.915 2.214 8.741 1.00 0.00 H new ATOM 0 HA ASP A 53 -6.098 4.248 10.286 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -3.658 3.724 9.966 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -3.766 4.349 8.333 1.00 0.00 H new ATOM 862 N MET A 54 -6.036 4.883 7.035 1.00 0.00 N ATOM 863 CA MET A 54 -6.674 5.698 5.980 1.00 0.00 C ATOM 864 C MET A 54 -8.122 5.366 5.787 1.00 0.00 C ATOM 865 O MET A 54 -8.914 6.226 5.411 1.00 0.00 O ATOM 866 CB MET A 54 -5.910 5.685 4.652 1.00 0.00 C ATOM 867 CG MET A 54 -5.299 4.382 4.273 1.00 0.00 C ATOM 868 SD MET A 54 -3.583 4.606 3.703 1.00 0.00 S ATOM 869 CE MET A 54 -2.862 5.569 5.054 1.00 0.00 C ATOM 0 H MET A 54 -5.337 4.223 6.695 1.00 0.00 H new ATOM 0 HA MET A 54 -6.626 6.722 6.349 1.00 0.00 H new ATOM 0 HB2 MET A 54 -6.592 5.990 3.858 1.00 0.00 H new ATOM 0 HB3 MET A 54 -5.121 6.435 4.700 1.00 0.00 H new ATOM 0 HG2 MET A 54 -5.317 3.706 5.128 1.00 0.00 H new ATOM 0 HG3 MET A 54 -5.890 3.915 3.485 1.00 0.00 H new ATOM 0 HE1 MET A 54 -1.775 5.536 4.985 1.00 0.00 H new ATOM 0 HE2 MET A 54 -3.199 6.603 4.984 1.00 0.00 H new ATOM 0 HE3 MET A 54 -3.178 5.149 6.009 1.00 0.00 H new ATOM 879 N TYR A 55 -8.463 4.136 6.060 1.00 0.00 N ATOM 880 CA TYR A 55 -9.817 3.669 6.010 1.00 0.00 C ATOM 881 C TYR A 55 -10.628 4.458 7.032 1.00 0.00 C ATOM 882 O TYR A 55 -11.538 5.162 6.691 1.00 0.00 O ATOM 883 CB TYR A 55 -9.790 2.166 6.351 1.00 0.00 C ATOM 884 CG TYR A 55 -11.095 1.416 6.378 1.00 0.00 C ATOM 885 CD1 TYR A 55 -11.598 0.812 5.237 1.00 0.00 C ATOM 886 CD2 TYR A 55 -11.792 1.258 7.565 1.00 0.00 C ATOM 887 CE1 TYR A 55 -12.762 0.074 5.280 1.00 0.00 C ATOM 888 CE2 TYR A 55 -12.961 0.531 7.616 1.00 0.00 C ATOM 889 CZ TYR A 55 -13.442 -0.062 6.472 1.00 0.00 C ATOM 890 OH TYR A 55 -14.605 -0.814 6.526 1.00 0.00 O ATOM 0 H TYR A 55 -7.791 3.417 6.329 1.00 0.00 H new ATOM 0 HA TYR A 55 -10.272 3.808 5.030 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -9.138 1.673 5.629 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -9.323 2.056 7.330 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -11.071 0.921 4.301 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -11.412 1.713 8.467 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -13.140 -0.396 4.384 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -13.496 0.427 8.548 1.00 0.00 H new ATOM 0 HH TYR A 55 -14.957 -0.808 7.441 1.00 0.00 H new ATOM 900 N GLU A 56 -10.181 4.457 8.257 1.00 0.00 N ATOM 901 CA GLU A 56 -10.926 5.111 9.332 1.00 0.00 C ATOM 902 C GLU A 56 -10.821 6.644 9.250 1.00 0.00 C ATOM 903 O GLU A 56 -11.668 7.345 9.771 1.00 0.00 O ATOM 904 CB GLU A 56 -10.441 4.620 10.695 1.00 0.00 C ATOM 905 CG GLU A 56 -9.035 5.028 10.992 1.00 0.00 C ATOM 906 CD GLU A 56 -8.570 4.612 12.354 1.00 0.00 C ATOM 907 OE1 GLU A 56 -8.843 5.340 13.329 1.00 0.00 O ATOM 908 OE2 GLU A 56 -7.918 3.554 12.490 1.00 0.00 O ATOM 0 H GLU A 56 -9.309 4.016 8.550 1.00 0.00 H new ATOM 0 HA GLU A 56 -11.976 4.844 9.210 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -11.099 5.010 11.471 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -10.514 3.533 10.731 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -8.373 4.595 10.242 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -8.952 6.111 10.903 1.00 0.00 H new ATOM 915 N SER A 57 -9.803 7.141 8.596 1.00 0.00 N ATOM 916 CA SER A 57 -9.595 8.569 8.472 1.00 0.00 C ATOM 917 C SER A 57 -10.493 9.165 7.368 1.00 0.00 C ATOM 918 O SER A 57 -10.795 10.366 7.378 1.00 0.00 O ATOM 919 CB SER A 57 -8.103 8.854 8.183 1.00 0.00 C ATOM 920 OG SER A 57 -7.800 10.247 8.208 1.00 0.00 O ATOM 0 H SER A 57 -9.094 6.572 8.134 1.00 0.00 H new ATOM 0 HA SER A 57 -9.870 9.047 9.412 1.00 0.00 H new ATOM 0 HB2 SER A 57 -7.488 8.338 8.920 1.00 0.00 H new ATOM 0 HB3 SER A 57 -7.840 8.445 7.207 1.00 0.00 H new ATOM 0 HG SER A 57 -6.847 10.378 8.022 1.00 0.00 H new ATOM 926 N ALA A 58 -10.941 8.333 6.453 1.00 0.00 N ATOM 927 CA ALA A 58 -11.724 8.795 5.325 1.00 0.00 C ATOM 928 C ALA A 58 -13.208 8.915 5.646 1.00 0.00 C ATOM 929 O ALA A 58 -13.694 8.410 6.677 1.00 0.00 O ATOM 930 CB ALA A 58 -11.541 7.872 4.165 1.00 0.00 C ATOM 0 H ALA A 58 -10.776 7.327 6.468 1.00 0.00 H new ATOM 0 HA ALA A 58 -11.362 9.793 5.078 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -12.133 8.226 3.321 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -10.488 7.845 3.884 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -11.868 6.870 4.442 1.00 0.00 H new ATOM 936 N ASN A 59 -13.915 9.610 4.776 1.00 0.00 N ATOM 937 CA ASN A 59 -15.364 9.780 4.893 1.00 0.00 C ATOM 938 C ASN A 59 -16.059 8.934 3.829 1.00 0.00 C ATOM 939 O ASN A 59 -17.291 8.907 3.738 1.00 0.00 O ATOM 940 CB ASN A 59 -15.756 11.272 4.728 1.00 0.00 C ATOM 941 CG ASN A 59 -15.932 11.729 3.265 1.00 0.00 C ATOM 942 OD1 ASN A 59 -17.037 11.719 2.723 1.00 0.00 O ATOM 943 ND2 ASN A 59 -14.864 12.122 2.622 1.00 0.00 N ATOM 0 H ASN A 59 -13.508 10.076 3.965 1.00 0.00 H new ATOM 0 HA ASN A 59 -15.680 9.453 5.884 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -16.687 11.452 5.266 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -14.991 11.890 5.199 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -14.937 12.428 1.652 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -13.958 12.122 3.090 1.00 0.00 H new ATOM 950 N SER A 60 -15.264 8.253 3.031 1.00 0.00 N ATOM 951 CA SER A 60 -15.752 7.370 2.008 1.00 0.00 C ATOM 952 C SER A 60 -14.655 6.468 1.584 1.00 0.00 C ATOM 953 O SER A 60 -13.475 6.781 1.790 1.00 0.00 O ATOM 954 CB SER A 60 -16.266 8.143 0.810 1.00 0.00 C ATOM 955 OG SER A 60 -15.281 9.007 0.271 1.00 0.00 O ATOM 0 H SER A 60 -14.246 8.302 3.080 1.00 0.00 H new ATOM 0 HA SER A 60 -16.581 6.792 2.416 1.00 0.00 H new ATOM 0 HB2 SER A 60 -16.594 7.443 0.041 1.00 0.00 H new ATOM 0 HB3 SER A 60 -17.139 8.727 1.103 1.00 0.00 H new ATOM 0 HG SER A 60 -15.652 9.485 -0.500 1.00 0.00 H new ATOM 961 N ARG A 61 -15.006 5.346 0.989 1.00 0.00 N ATOM 962 CA ARG A 61 -13.980 4.450 0.529 1.00 0.00 C ATOM 963 C ARG A 61 -13.292 5.020 -0.682 1.00 0.00 C ATOM 964 O ARG A 61 -12.151 4.720 -0.946 1.00 0.00 O ATOM 965 CB ARG A 61 -14.449 3.011 0.272 1.00 0.00 C ATOM 966 CG ARG A 61 -15.327 2.747 -0.942 1.00 0.00 C ATOM 967 CD ARG A 61 -16.630 3.432 -0.883 1.00 0.00 C ATOM 968 NE ARG A 61 -17.534 2.907 -1.923 1.00 0.00 N ATOM 969 CZ ARG A 61 -18.412 3.619 -2.649 1.00 0.00 C ATOM 970 NH1 ARG A 61 -18.575 4.912 -2.437 1.00 0.00 N ATOM 971 NH2 ARG A 61 -19.151 3.014 -3.555 1.00 0.00 N ATOM 0 H ARG A 61 -15.965 5.044 0.819 1.00 0.00 H new ATOM 0 HA ARG A 61 -13.270 4.368 1.352 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -13.563 2.383 0.185 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -14.992 2.675 1.155 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -14.798 3.066 -1.840 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -15.493 1.674 -1.034 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -17.077 3.292 0.101 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -16.491 4.504 -1.020 1.00 0.00 H new ATOM 0 HE ARG A 61 -17.488 1.905 -2.109 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -18.031 5.383 -1.714 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -19.245 5.440 -2.996 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -19.055 2.009 -3.703 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -19.819 3.550 -4.109 1.00 0.00 H new ATOM 985 N ASP A 62 -14.008 5.882 -1.389 1.00 0.00 N ATOM 986 CA ASP A 62 -13.483 6.563 -2.561 1.00 0.00 C ATOM 987 C ASP A 62 -12.334 7.443 -2.114 1.00 0.00 C ATOM 988 O ASP A 62 -11.249 7.385 -2.667 1.00 0.00 O ATOM 989 CB ASP A 62 -14.595 7.409 -3.185 1.00 0.00 C ATOM 990 CG ASP A 62 -14.188 8.129 -4.470 1.00 0.00 C ATOM 991 OD1 ASP A 62 -13.483 9.156 -4.404 1.00 0.00 O ATOM 992 OD2 ASP A 62 -14.626 7.695 -5.572 1.00 0.00 O ATOM 0 H ASP A 62 -14.972 6.129 -1.165 1.00 0.00 H new ATOM 0 HA ASP A 62 -13.130 5.849 -3.305 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -15.450 6.766 -3.397 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -14.926 8.149 -2.456 1.00 0.00 H new ATOM 997 N GLU A 63 -12.578 8.193 -1.040 1.00 0.00 N ATOM 998 CA GLU A 63 -11.574 9.047 -0.431 1.00 0.00 C ATOM 999 C GLU A 63 -10.403 8.242 0.114 1.00 0.00 C ATOM 1000 O GLU A 63 -9.247 8.560 -0.173 1.00 0.00 O ATOM 1001 CB GLU A 63 -12.206 9.914 0.669 1.00 0.00 C ATOM 1002 CG GLU A 63 -11.210 10.649 1.555 1.00 0.00 C ATOM 1003 CD GLU A 63 -11.850 11.703 2.386 1.00 0.00 C ATOM 1004 OE1 GLU A 63 -12.340 11.392 3.488 1.00 0.00 O ATOM 1005 OE2 GLU A 63 -11.904 12.865 1.952 1.00 0.00 O ATOM 0 H GLU A 63 -13.483 8.221 -0.570 1.00 0.00 H new ATOM 0 HA GLU A 63 -11.179 9.702 -1.207 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -12.864 10.646 0.201 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -12.831 9.280 1.298 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -10.711 9.932 2.206 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -10.440 11.102 0.931 1.00 0.00 H new ATOM 1012 N TYR A 64 -10.703 7.179 0.863 1.00 0.00 N ATOM 1013 CA TYR A 64 -9.672 6.375 1.489 1.00 0.00 C ATOM 1014 C TYR A 64 -8.767 5.742 0.437 1.00 0.00 C ATOM 1015 O TYR A 64 -7.545 5.823 0.538 1.00 0.00 O ATOM 1016 CB TYR A 64 -10.304 5.353 2.481 1.00 0.00 C ATOM 1017 CG TYR A 64 -10.019 3.903 2.246 1.00 0.00 C ATOM 1018 CD1 TYR A 64 -8.926 3.292 2.807 1.00 0.00 C ATOM 1019 CD2 TYR A 64 -10.856 3.151 1.459 1.00 0.00 C ATOM 1020 CE1 TYR A 64 -8.677 1.973 2.584 1.00 0.00 C ATOM 1021 CE2 TYR A 64 -10.616 1.839 1.223 1.00 0.00 C ATOM 1022 CZ TYR A 64 -9.524 1.249 1.788 1.00 0.00 C ATOM 1023 OH TYR A 64 -9.269 -0.055 1.551 1.00 0.00 O ATOM 0 H TYR A 64 -11.655 6.861 1.046 1.00 0.00 H new ATOM 0 HA TYR A 64 -9.024 7.014 2.089 1.00 0.00 H new ATOM 0 HB2 TYR A 64 -9.965 5.605 3.486 1.00 0.00 H new ATOM 0 HB3 TYR A 64 -11.385 5.491 2.465 1.00 0.00 H new ATOM 0 HD1 TYR A 64 -8.256 3.864 3.432 1.00 0.00 H new ATOM 0 HD2 TYR A 64 -11.725 3.616 1.018 1.00 0.00 H new ATOM 0 HE1 TYR A 64 -7.816 1.500 3.032 1.00 0.00 H new ATOM 0 HE2 TYR A 64 -11.282 1.267 0.594 1.00 0.00 H new ATOM 0 HH TYR A 64 -8.691 -0.409 2.258 1.00 0.00 H new ATOM 1033 N TYR A 65 -9.384 5.183 -0.596 1.00 0.00 N ATOM 1034 CA TYR A 65 -8.676 4.598 -1.706 1.00 0.00 C ATOM 1035 C TYR A 65 -7.856 5.658 -2.413 1.00 0.00 C ATOM 1036 O TYR A 65 -6.676 5.461 -2.645 1.00 0.00 O ATOM 1037 CB TYR A 65 -9.687 3.895 -2.646 1.00 0.00 C ATOM 1038 CG TYR A 65 -9.234 3.566 -4.065 1.00 0.00 C ATOM 1039 CD1 TYR A 65 -7.924 3.196 -4.385 1.00 0.00 C ATOM 1040 CD2 TYR A 65 -10.145 3.652 -5.089 1.00 0.00 C ATOM 1041 CE1 TYR A 65 -7.561 2.932 -5.691 1.00 0.00 C ATOM 1042 CE2 TYR A 65 -9.791 3.395 -6.381 1.00 0.00 C ATOM 1043 CZ TYR A 65 -8.500 3.037 -6.686 1.00 0.00 C ATOM 1044 OH TYR A 65 -8.143 2.801 -7.998 1.00 0.00 O ATOM 0 H TYR A 65 -10.399 5.127 -0.679 1.00 0.00 H new ATOM 0 HA TYR A 65 -7.976 3.841 -1.354 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -9.995 2.964 -2.169 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -10.573 4.526 -2.716 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -7.186 3.116 -3.600 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -11.165 3.929 -4.866 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -6.547 2.645 -5.927 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -10.528 3.473 -7.167 1.00 0.00 H new ATOM 0 HH TYR A 65 -8.488 1.928 -8.279 1.00 0.00 H new ATOM 1054 N HIS A 66 -8.469 6.794 -2.682 1.00 0.00 N ATOM 1055 CA HIS A 66 -7.821 7.887 -3.385 1.00 0.00 C ATOM 1056 C HIS A 66 -6.559 8.345 -2.652 1.00 0.00 C ATOM 1057 O HIS A 66 -5.480 8.336 -3.219 1.00 0.00 O ATOM 1058 CB HIS A 66 -8.801 9.063 -3.563 1.00 0.00 C ATOM 1059 CG HIS A 66 -8.300 10.165 -4.444 1.00 0.00 C ATOM 1060 ND1 HIS A 66 -8.728 10.367 -5.729 1.00 0.00 N ATOM 1061 CD2 HIS A 66 -7.398 11.138 -4.196 1.00 0.00 C ATOM 1062 CE1 HIS A 66 -8.091 11.427 -6.219 1.00 0.00 C ATOM 1063 NE2 HIS A 66 -7.266 11.938 -5.320 1.00 0.00 N ATOM 0 H HIS A 66 -9.435 6.987 -2.418 1.00 0.00 H new ATOM 0 HA HIS A 66 -7.522 7.527 -4.370 1.00 0.00 H new ATOM 0 HB2 HIS A 66 -9.735 8.681 -3.976 1.00 0.00 H new ATOM 0 HB3 HIS A 66 -9.033 9.477 -2.582 1.00 0.00 H new ATOM 0 HD2 HIS A 66 -6.863 11.272 -3.267 1.00 0.00 H new ATOM 0 HE1 HIS A 66 -8.229 11.818 -7.216 1.00 0.00 H new ATOM 0 HE2 HIS A 66 -6.660 12.751 -5.431 1.00 0.00 H new ATOM 1071 N LEU A 67 -6.693 8.684 -1.383 1.00 0.00 N ATOM 1072 CA LEU A 67 -5.574 9.220 -0.622 1.00 0.00 C ATOM 1073 C LEU A 67 -4.471 8.170 -0.392 1.00 0.00 C ATOM 1074 O LEU A 67 -3.271 8.500 -0.366 1.00 0.00 O ATOM 1075 CB LEU A 67 -6.069 9.900 0.693 1.00 0.00 C ATOM 1076 CG LEU A 67 -6.749 9.014 1.756 1.00 0.00 C ATOM 1077 CD1 LEU A 67 -5.744 8.300 2.607 1.00 0.00 C ATOM 1078 CD2 LEU A 67 -7.693 9.802 2.632 1.00 0.00 C ATOM 0 H LEU A 67 -7.562 8.599 -0.856 1.00 0.00 H new ATOM 0 HA LEU A 67 -5.104 10.002 -1.219 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -5.212 10.385 1.161 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -6.770 10.688 0.418 1.00 0.00 H new ATOM 0 HG LEU A 67 -7.331 8.273 1.208 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -6.262 7.686 3.344 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -5.121 7.664 1.978 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -5.117 9.030 3.119 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -8.149 9.137 3.366 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -7.141 10.587 3.148 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -8.472 10.251 2.016 1.00 0.00 H new ATOM 1090 N LEU A 68 -4.857 6.901 -0.271 1.00 0.00 N ATOM 1091 CA LEU A 68 -3.872 5.861 -0.058 1.00 0.00 C ATOM 1092 C LEU A 68 -3.154 5.583 -1.378 1.00 0.00 C ATOM 1093 O LEU A 68 -1.963 5.254 -1.400 1.00 0.00 O ATOM 1094 CB LEU A 68 -4.518 4.592 0.587 1.00 0.00 C ATOM 1095 CG LEU A 68 -5.232 3.552 -0.279 1.00 0.00 C ATOM 1096 CD1 LEU A 68 -4.233 2.587 -0.874 1.00 0.00 C ATOM 1097 CD2 LEU A 68 -6.237 2.799 0.555 1.00 0.00 C ATOM 0 H LEU A 68 -5.824 6.580 -0.316 1.00 0.00 H new ATOM 0 HA LEU A 68 -3.123 6.192 0.661 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -3.729 4.071 1.129 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -5.237 4.940 1.328 1.00 0.00 H new ATOM 0 HG LEU A 68 -5.748 4.065 -1.091 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -4.756 1.853 -1.487 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -3.521 3.135 -1.492 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -3.700 2.076 -0.073 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -6.743 2.059 -0.065 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -5.725 2.296 1.375 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -6.970 3.497 0.959 1.00 0.00 H new ATOM 1109 N ALA A 69 -3.889 5.769 -2.472 1.00 0.00 N ATOM 1110 CA ALA A 69 -3.367 5.629 -3.812 1.00 0.00 C ATOM 1111 C ALA A 69 -2.349 6.731 -4.092 1.00 0.00 C ATOM 1112 O ALA A 69 -1.361 6.517 -4.768 1.00 0.00 O ATOM 1113 CB ALA A 69 -4.501 5.666 -4.826 1.00 0.00 C ATOM 0 H ALA A 69 -4.876 6.024 -2.443 1.00 0.00 H new ATOM 0 HA ALA A 69 -2.865 4.666 -3.901 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -4.094 5.560 -5.831 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -5.194 4.849 -4.627 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -5.029 6.616 -4.747 1.00 0.00 H new ATOM 1119 N GLU A 70 -2.589 7.892 -3.530 1.00 0.00 N ATOM 1120 CA GLU A 70 -1.671 9.028 -3.650 1.00 0.00 C ATOM 1121 C GLU A 70 -0.377 8.708 -2.920 1.00 0.00 C ATOM 1122 O GLU A 70 0.736 8.950 -3.426 1.00 0.00 O ATOM 1123 CB GLU A 70 -2.299 10.256 -3.008 1.00 0.00 C ATOM 1124 CG GLU A 70 -3.598 10.685 -3.648 1.00 0.00 C ATOM 1125 CD GLU A 70 -3.427 11.361 -4.968 1.00 0.00 C ATOM 1126 OE1 GLU A 70 -3.276 12.595 -4.989 1.00 0.00 O ATOM 1127 OE2 GLU A 70 -3.467 10.689 -6.005 1.00 0.00 O ATOM 0 H GLU A 70 -3.422 8.088 -2.975 1.00 0.00 H new ATOM 0 HA GLU A 70 -1.470 9.219 -4.704 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -2.476 10.051 -1.952 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -1.590 11.083 -3.058 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -4.234 9.809 -3.779 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -4.120 11.360 -2.970 1.00 0.00 H new ATOM 1134 N LYS A 71 -0.530 8.152 -1.730 1.00 0.00 N ATOM 1135 CA LYS A 71 0.596 7.806 -0.902 1.00 0.00 C ATOM 1136 C LYS A 71 1.421 6.677 -1.535 1.00 0.00 C ATOM 1137 O LYS A 71 2.653 6.739 -1.556 1.00 0.00 O ATOM 1138 CB LYS A 71 0.123 7.516 0.566 1.00 0.00 C ATOM 1139 CG LYS A 71 0.245 6.081 1.132 1.00 0.00 C ATOM 1140 CD LYS A 71 1.697 5.713 1.464 1.00 0.00 C ATOM 1141 CE LYS A 71 1.792 4.524 2.401 1.00 0.00 C ATOM 1142 NZ LYS A 71 3.177 4.336 2.898 1.00 0.00 N ATOM 0 H LYS A 71 -1.437 7.931 -1.319 1.00 0.00 H new ATOM 0 HA LYS A 71 1.277 8.654 -0.837 1.00 0.00 H new ATOM 0 HB2 LYS A 71 0.683 8.177 1.227 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -0.925 7.808 0.636 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -0.365 5.993 2.031 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -0.152 5.371 0.407 1.00 0.00 H new ATOM 0 HD2 LYS A 71 2.232 5.489 0.541 1.00 0.00 H new ATOM 0 HD3 LYS A 71 2.192 6.571 1.919 1.00 0.00 H new ATOM 0 HE2 LYS A 71 1.118 4.669 3.245 1.00 0.00 H new ATOM 0 HE3 LYS A 71 1.464 3.623 1.882 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 3.172 3.667 3.694 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 3.772 3.960 2.133 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 3.559 5.250 3.216 1.00 0.00 H new ATOM 1156 N ILE A 72 0.761 5.675 -2.073 1.00 0.00 N ATOM 1157 CA ILE A 72 1.481 4.568 -2.661 1.00 0.00 C ATOM 1158 C ILE A 72 2.281 5.032 -3.889 1.00 0.00 C ATOM 1159 O ILE A 72 3.460 4.745 -4.010 1.00 0.00 O ATOM 1160 CB ILE A 72 0.564 3.358 -3.006 1.00 0.00 C ATOM 1161 CG1 ILE A 72 1.398 2.235 -3.501 1.00 0.00 C ATOM 1162 CG2 ILE A 72 -0.502 3.692 -3.997 1.00 0.00 C ATOM 1163 CD1 ILE A 72 0.618 1.056 -4.002 1.00 0.00 C ATOM 0 H ILE A 72 -0.256 5.604 -2.116 1.00 0.00 H new ATOM 0 HA ILE A 72 2.179 4.210 -1.905 1.00 0.00 H new ATOM 0 HB ILE A 72 0.048 3.070 -2.090 1.00 0.00 H new ATOM 0 HG12 ILE A 72 2.037 2.600 -4.305 1.00 0.00 H new ATOM 0 HG13 ILE A 72 2.055 1.905 -2.697 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -1.106 2.806 -4.194 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -1.137 4.482 -3.596 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -0.042 4.032 -4.925 1.00 0.00 H new ATOM 0 HD11 ILE A 72 1.306 0.283 -4.344 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -0.001 0.660 -3.197 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -0.019 1.367 -4.830 1.00 0.00 H new ATOM 1175 N TYR A 73 1.622 5.786 -4.728 1.00 0.00 N ATOM 1176 CA TYR A 73 2.163 6.392 -5.930 1.00 0.00 C ATOM 1177 C TYR A 73 3.482 7.156 -5.617 1.00 0.00 C ATOM 1178 O TYR A 73 4.563 6.869 -6.214 1.00 0.00 O ATOM 1179 CB TYR A 73 1.065 7.349 -6.420 1.00 0.00 C ATOM 1180 CG TYR A 73 1.290 8.100 -7.692 1.00 0.00 C ATOM 1181 CD1 TYR A 73 1.929 9.313 -7.679 1.00 0.00 C ATOM 1182 CD2 TYR A 73 0.805 7.624 -8.896 1.00 0.00 C ATOM 1183 CE1 TYR A 73 2.096 10.047 -8.844 1.00 0.00 C ATOM 1184 CE2 TYR A 73 0.969 8.334 -10.062 1.00 0.00 C ATOM 1185 CZ TYR A 73 1.612 9.545 -10.037 1.00 0.00 C ATOM 1186 OH TYR A 73 1.772 10.260 -11.211 1.00 0.00 O ATOM 0 H TYR A 73 0.637 6.010 -4.589 1.00 0.00 H new ATOM 0 HA TYR A 73 2.418 5.651 -6.687 1.00 0.00 H new ATOM 0 HB2 TYR A 73 0.148 6.771 -6.534 1.00 0.00 H new ATOM 0 HB3 TYR A 73 0.885 8.079 -5.631 1.00 0.00 H new ATOM 0 HD1 TYR A 73 2.309 9.703 -6.746 1.00 0.00 H new ATOM 0 HD2 TYR A 73 0.287 6.676 -8.921 1.00 0.00 H new ATOM 0 HE1 TYR A 73 2.600 11.002 -8.819 1.00 0.00 H new ATOM 0 HE2 TYR A 73 0.593 7.939 -10.994 1.00 0.00 H new ATOM 0 HH TYR A 73 1.374 9.761 -11.955 1.00 0.00 H new ATOM 1196 N LYS A 74 3.415 8.073 -4.644 1.00 0.00 N ATOM 1197 CA LYS A 74 4.579 8.878 -4.270 1.00 0.00 C ATOM 1198 C LYS A 74 5.693 7.991 -3.711 1.00 0.00 C ATOM 1199 O LYS A 74 6.871 8.293 -3.864 1.00 0.00 O ATOM 1200 CB LYS A 74 4.225 9.993 -3.268 1.00 0.00 C ATOM 1201 CG LYS A 74 3.859 9.488 -1.888 1.00 0.00 C ATOM 1202 CD LYS A 74 3.601 10.613 -0.892 1.00 0.00 C ATOM 1203 CE LYS A 74 2.461 11.524 -1.314 1.00 0.00 C ATOM 1204 NZ LYS A 74 2.275 12.622 -0.350 1.00 0.00 N ATOM 0 H LYS A 74 2.572 8.274 -4.106 1.00 0.00 H new ATOM 0 HA LYS A 74 4.934 9.363 -5.179 1.00 0.00 H new ATOM 0 HB2 LYS A 74 5.073 10.672 -3.182 1.00 0.00 H new ATOM 0 HB3 LYS A 74 3.391 10.572 -3.665 1.00 0.00 H new ATOM 0 HG2 LYS A 74 2.969 8.863 -1.960 1.00 0.00 H new ATOM 0 HG3 LYS A 74 4.664 8.856 -1.513 1.00 0.00 H new ATOM 0 HD2 LYS A 74 3.374 10.183 0.084 1.00 0.00 H new ATOM 0 HD3 LYS A 74 4.509 11.205 -0.776 1.00 0.00 H new ATOM 0 HE2 LYS A 74 2.666 11.935 -2.303 1.00 0.00 H new ATOM 0 HE3 LYS A 74 1.540 10.946 -1.394 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 1.490 13.229 -0.662 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 2.056 12.228 0.587 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 3.147 13.186 -0.293 1.00 0.00 H new ATOM 1218 N ILE A 75 5.305 6.911 -3.063 1.00 0.00 N ATOM 1219 CA ILE A 75 6.244 5.958 -2.525 1.00 0.00 C ATOM 1220 C ILE A 75 6.966 5.202 -3.631 1.00 0.00 C ATOM 1221 O ILE A 75 8.172 4.958 -3.534 1.00 0.00 O ATOM 1222 CB ILE A 75 5.544 4.988 -1.515 1.00 0.00 C ATOM 1223 CG1 ILE A 75 5.745 5.455 -0.082 1.00 0.00 C ATOM 1224 CG2 ILE A 75 5.995 3.543 -1.665 1.00 0.00 C ATOM 1225 CD1 ILE A 75 5.293 6.870 0.206 1.00 0.00 C ATOM 0 H ILE A 75 4.327 6.673 -2.896 1.00 0.00 H new ATOM 0 HA ILE A 75 7.003 6.512 -1.972 1.00 0.00 H new ATOM 0 HB ILE A 75 4.481 5.016 -1.756 1.00 0.00 H new ATOM 0 HG12 ILE A 75 5.209 4.777 0.582 1.00 0.00 H new ATOM 0 HG13 ILE A 75 6.803 5.372 0.165 1.00 0.00 H new ATOM 0 HG21 ILE A 75 5.473 2.922 -0.937 1.00 0.00 H new ATOM 0 HG22 ILE A 75 5.766 3.193 -2.671 1.00 0.00 H new ATOM 0 HG23 ILE A 75 7.070 3.478 -1.494 1.00 0.00 H new ATOM 0 HD11 ILE A 75 5.479 7.105 1.254 1.00 0.00 H new ATOM 0 HD12 ILE A 75 5.846 7.565 -0.426 1.00 0.00 H new ATOM 0 HD13 ILE A 75 4.227 6.961 -0.002 1.00 0.00 H new ATOM 1237 N GLN A 76 6.256 4.883 -4.701 1.00 0.00 N ATOM 1238 CA GLN A 76 6.857 4.114 -5.764 1.00 0.00 C ATOM 1239 C GLN A 76 7.914 4.940 -6.460 1.00 0.00 C ATOM 1240 O GLN A 76 9.011 4.450 -6.769 1.00 0.00 O ATOM 1241 CB GLN A 76 5.844 3.619 -6.772 1.00 0.00 C ATOM 1242 CG GLN A 76 4.627 2.974 -6.199 1.00 0.00 C ATOM 1243 CD GLN A 76 3.932 2.124 -7.217 1.00 0.00 C ATOM 1244 OE1 GLN A 76 3.079 1.255 -6.765 1.00 0.00 O flip ATOM 1245 NE2 GLN A 76 4.083 2.331 -8.416 1.00 0.00 N flip ATOM 0 H GLN A 76 5.281 5.142 -4.850 1.00 0.00 H new ATOM 0 HA GLN A 76 7.310 3.234 -5.307 1.00 0.00 H new ATOM 0 HB2 GLN A 76 5.531 4.461 -7.389 1.00 0.00 H new ATOM 0 HB3 GLN A 76 6.335 2.905 -7.433 1.00 0.00 H new ATOM 0 HG2 GLN A 76 4.907 2.362 -5.341 1.00 0.00 H new ATOM 0 HG3 GLN A 76 3.944 3.741 -5.835 1.00 0.00 H new ATOM 0 HE21 GLN A 76 4.763 3.022 -8.733 1.00 0.00 H new ATOM 0 HE22 GLN A 76 3.528 1.812 -9.097 1.00 0.00 H new ATOM 1254 N LYS A 77 7.614 6.194 -6.692 1.00 0.00 N ATOM 1255 CA LYS A 77 8.609 7.059 -7.280 1.00 0.00 C ATOM 1256 C LYS A 77 9.742 7.367 -6.318 1.00 0.00 C ATOM 1257 O LYS A 77 10.884 7.522 -6.738 1.00 0.00 O ATOM 1258 CB LYS A 77 7.986 8.286 -7.886 1.00 0.00 C ATOM 1259 CG LYS A 77 7.030 9.003 -6.985 1.00 0.00 C ATOM 1260 CD LYS A 77 5.964 9.735 -7.774 1.00 0.00 C ATOM 1261 CE LYS A 77 5.143 8.788 -8.670 1.00 0.00 C ATOM 1262 NZ LYS A 77 5.716 8.571 -10.016 1.00 0.00 N ATOM 0 H LYS A 77 6.715 6.631 -6.490 1.00 0.00 H new ATOM 0 HA LYS A 77 9.071 6.516 -8.105 1.00 0.00 H new ATOM 0 HB2 LYS A 77 8.779 8.975 -8.177 1.00 0.00 H new ATOM 0 HB3 LYS A 77 7.462 8.000 -8.798 1.00 0.00 H new ATOM 0 HG2 LYS A 77 6.558 8.288 -6.311 1.00 0.00 H new ATOM 0 HG3 LYS A 77 7.577 9.713 -6.365 1.00 0.00 H new ATOM 0 HD2 LYS A 77 5.295 10.250 -7.085 1.00 0.00 H new ATOM 0 HD3 LYS A 77 6.434 10.499 -8.393 1.00 0.00 H new ATOM 0 HE2 LYS A 77 5.048 7.825 -8.169 1.00 0.00 H new ATOM 0 HE3 LYS A 77 4.136 9.191 -8.778 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 5.022 8.853 -10.738 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 6.578 9.143 -10.123 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 5.951 7.565 -10.135 1.00 0.00 H new ATOM 1276 N GLU A 78 9.431 7.390 -5.020 1.00 0.00 N ATOM 1277 CA GLU A 78 10.437 7.602 -3.988 1.00 0.00 C ATOM 1278 C GLU A 78 11.426 6.445 -4.013 1.00 0.00 C ATOM 1279 O GLU A 78 12.635 6.652 -4.002 1.00 0.00 O ATOM 1280 CB GLU A 78 9.777 7.710 -2.598 1.00 0.00 C ATOM 1281 CG GLU A 78 10.719 8.121 -1.465 1.00 0.00 C ATOM 1282 CD GLU A 78 9.986 8.522 -0.188 1.00 0.00 C ATOM 1283 OE1 GLU A 78 9.582 7.639 0.598 1.00 0.00 O ATOM 1284 OE2 GLU A 78 9.807 9.760 0.031 1.00 0.00 O ATOM 0 H GLU A 78 8.484 7.263 -4.662 1.00 0.00 H new ATOM 0 HA GLU A 78 10.962 8.537 -4.185 1.00 0.00 H new ATOM 0 HB2 GLU A 78 8.963 8.433 -2.654 1.00 0.00 H new ATOM 0 HB3 GLU A 78 9.331 6.747 -2.348 1.00 0.00 H new ATOM 0 HG2 GLU A 78 11.394 7.294 -1.244 1.00 0.00 H new ATOM 0 HG3 GLU A 78 11.336 8.955 -1.799 1.00 0.00 H new ATOM 1291 N LEU A 79 10.906 5.226 -4.098 1.00 0.00 N ATOM 1292 CA LEU A 79 11.744 4.052 -4.098 1.00 0.00 C ATOM 1293 C LEU A 79 12.621 3.962 -5.324 1.00 0.00 C ATOM 1294 O LEU A 79 13.814 3.638 -5.203 1.00 0.00 O ATOM 1295 CB LEU A 79 10.945 2.748 -3.836 1.00 0.00 C ATOM 1296 CG LEU A 79 9.871 2.319 -4.847 1.00 0.00 C ATOM 1297 CD1 LEU A 79 10.449 1.570 -6.046 1.00 0.00 C ATOM 1298 CD2 LEU A 79 8.818 1.499 -4.183 1.00 0.00 C ATOM 0 H LEU A 79 9.907 5.034 -4.167 1.00 0.00 H new ATOM 0 HA LEU A 79 12.422 4.165 -3.252 1.00 0.00 H new ATOM 0 HB2 LEU A 79 11.663 1.933 -3.753 1.00 0.00 H new ATOM 0 HB3 LEU A 79 10.462 2.847 -2.864 1.00 0.00 H new ATOM 0 HG LEU A 79 9.424 3.236 -5.231 1.00 0.00 H new ATOM 0 HD11 LEU A 79 9.643 1.293 -6.725 1.00 0.00 H new ATOM 0 HD12 LEU A 79 11.159 2.212 -6.568 1.00 0.00 H new ATOM 0 HD13 LEU A 79 10.959 0.670 -5.702 1.00 0.00 H new ATOM 0 HD21 LEU A 79 8.068 1.206 -4.918 1.00 0.00 H new ATOM 0 HD22 LEU A 79 9.270 0.606 -3.751 1.00 0.00 H new ATOM 0 HD23 LEU A 79 8.345 2.084 -3.394 1.00 0.00 H new ATOM 1310 N GLU A 80 12.072 4.290 -6.487 1.00 0.00 N ATOM 1311 CA GLU A 80 12.850 4.162 -7.689 1.00 0.00 C ATOM 1312 C GLU A 80 13.960 5.194 -7.748 1.00 0.00 C ATOM 1313 O GLU A 80 15.074 4.846 -8.065 1.00 0.00 O ATOM 1314 CB GLU A 80 12.003 4.117 -8.975 1.00 0.00 C ATOM 1315 CG GLU A 80 11.243 5.380 -9.315 1.00 0.00 C ATOM 1316 CD GLU A 80 10.426 5.232 -10.581 1.00 0.00 C ATOM 1317 OE1 GLU A 80 11.016 5.103 -11.669 1.00 0.00 O ATOM 1318 OE2 GLU A 80 9.181 5.240 -10.522 1.00 0.00 O ATOM 0 H GLU A 80 11.120 4.635 -6.612 1.00 0.00 H new ATOM 0 HA GLU A 80 13.325 3.182 -7.639 1.00 0.00 H new ATOM 0 HB2 GLU A 80 12.660 3.876 -9.811 1.00 0.00 H new ATOM 0 HB3 GLU A 80 11.288 3.299 -8.886 1.00 0.00 H new ATOM 0 HG2 GLU A 80 10.583 5.639 -8.487 1.00 0.00 H new ATOM 0 HG3 GLU A 80 11.946 6.205 -9.433 1.00 0.00 H new ATOM 1325 N GLU A 81 13.678 6.443 -7.357 1.00 0.00 N ATOM 1326 CA GLU A 81 14.705 7.483 -7.396 1.00 0.00 C ATOM 1327 C GLU A 81 15.833 7.189 -6.402 1.00 0.00 C ATOM 1328 O GLU A 81 17.024 7.274 -6.752 1.00 0.00 O ATOM 1329 CB GLU A 81 14.137 8.900 -7.149 1.00 0.00 C ATOM 1330 CG GLU A 81 13.464 9.095 -5.802 1.00 0.00 C ATOM 1331 CD GLU A 81 13.188 10.529 -5.488 1.00 0.00 C ATOM 1332 OE1 GLU A 81 12.121 11.051 -5.846 1.00 0.00 O ATOM 1333 OE2 GLU A 81 14.043 11.177 -4.858 1.00 0.00 O ATOM 0 H GLU A 81 12.767 6.751 -7.017 1.00 0.00 H new ATOM 0 HA GLU A 81 15.109 7.467 -8.408 1.00 0.00 H new ATOM 0 HB2 GLU A 81 14.949 9.622 -7.241 1.00 0.00 H new ATOM 0 HB3 GLU A 81 13.417 9.129 -7.935 1.00 0.00 H new ATOM 0 HG2 GLU A 81 12.527 8.539 -5.787 1.00 0.00 H new ATOM 0 HG3 GLU A 81 14.097 8.674 -5.021 1.00 0.00 H new ATOM 1340 N LYS A 82 15.456 6.785 -5.182 1.00 0.00 N ATOM 1341 CA LYS A 82 16.423 6.559 -4.127 1.00 0.00 C ATOM 1342 C LYS A 82 17.352 5.393 -4.470 1.00 0.00 C ATOM 1343 O LYS A 82 18.566 5.486 -4.300 1.00 0.00 O ATOM 1344 CB LYS A 82 15.718 6.400 -2.732 1.00 0.00 C ATOM 1345 CG LYS A 82 14.833 5.154 -2.557 1.00 0.00 C ATOM 1346 CD LYS A 82 15.605 3.980 -1.969 1.00 0.00 C ATOM 1347 CE LYS A 82 14.880 2.661 -2.173 1.00 0.00 C ATOM 1348 NZ LYS A 82 13.552 2.581 -1.518 1.00 0.00 N ATOM 0 H LYS A 82 14.488 6.611 -4.912 1.00 0.00 H new ATOM 0 HA LYS A 82 17.058 7.441 -4.047 1.00 0.00 H new ATOM 0 HB2 LYS A 82 16.487 6.386 -1.959 1.00 0.00 H new ATOM 0 HB3 LYS A 82 15.105 7.284 -2.555 1.00 0.00 H new ATOM 0 HG2 LYS A 82 13.992 5.396 -1.907 1.00 0.00 H new ATOM 0 HG3 LYS A 82 14.417 4.867 -3.523 1.00 0.00 H new ATOM 0 HD2 LYS A 82 16.591 3.927 -2.431 1.00 0.00 H new ATOM 0 HD3 LYS A 82 15.761 4.146 -0.903 1.00 0.00 H new ATOM 0 HE2 LYS A 82 14.754 2.492 -3.242 1.00 0.00 H new ATOM 0 HE3 LYS A 82 15.507 1.854 -1.794 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 12.937 1.938 -2.057 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 13.664 2.222 -0.549 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 13.122 3.527 -1.489 1.00 0.00 H new ATOM 1362 N ARG A 83 16.786 4.320 -5.009 1.00 0.00 N ATOM 1363 CA ARG A 83 17.570 3.149 -5.331 1.00 0.00 C ATOM 1364 C ARG A 83 18.357 3.359 -6.622 1.00 0.00 C ATOM 1365 O ARG A 83 19.433 2.766 -6.813 1.00 0.00 O ATOM 1366 CB ARG A 83 16.677 1.903 -5.418 1.00 0.00 C ATOM 1367 CG ARG A 83 17.447 0.591 -5.441 1.00 0.00 C ATOM 1368 CD ARG A 83 16.515 -0.608 -5.400 1.00 0.00 C ATOM 1369 NE ARG A 83 15.720 -0.758 -6.622 1.00 0.00 N ATOM 1370 CZ ARG A 83 14.573 -1.457 -6.706 1.00 0.00 C ATOM 1371 NH1 ARG A 83 13.930 -1.850 -5.591 1.00 0.00 N ATOM 1372 NH2 ARG A 83 14.049 -1.701 -7.902 1.00 0.00 N ATOM 0 H ARG A 83 15.793 4.243 -5.229 1.00 0.00 H new ATOM 0 HA ARG A 83 18.289 2.988 -4.528 1.00 0.00 H new ATOM 0 HB2 ARG A 83 15.995 1.897 -4.568 1.00 0.00 H new ATOM 0 HB3 ARG A 83 16.065 1.969 -6.317 1.00 0.00 H new ATOM 0 HG2 ARG A 83 18.060 0.545 -6.341 1.00 0.00 H new ATOM 0 HG3 ARG A 83 18.127 0.553 -4.590 1.00 0.00 H new ATOM 0 HD2 ARG A 83 17.102 -1.512 -5.242 1.00 0.00 H new ATOM 0 HD3 ARG A 83 15.844 -0.511 -4.546 1.00 0.00 H new ATOM 0 HE ARG A 83 16.060 -0.301 -7.468 1.00 0.00 H new ATOM 0 HH11 ARG A 83 14.311 -1.618 -4.674 1.00 0.00 H new ATOM 0 HH12 ARG A 83 13.061 -2.379 -5.663 1.00 0.00 H new ATOM 0 HH21 ARG A 83 14.516 -1.360 -8.742 1.00 0.00 H new ATOM 0 HH22 ARG A 83 13.180 -2.230 -7.980 1.00 0.00 H new ATOM 1649 N LEU B 114 10.934 2.513 4.021 1.00 0.00 N ATOM 1650 CA LEU B 114 10.889 1.967 2.679 1.00 0.00 C ATOM 1651 C LEU B 114 12.246 1.426 2.254 1.00 0.00 C ATOM 1652 O LEU B 114 12.311 0.486 1.531 1.00 0.00 O ATOM 1653 CB LEU B 114 10.388 3.024 1.691 1.00 0.00 C ATOM 1654 CG LEU B 114 10.233 2.627 0.222 1.00 0.00 C ATOM 1655 CD1 LEU B 114 9.332 1.405 0.070 1.00 0.00 C ATOM 1656 CD2 LEU B 114 9.653 3.810 -0.538 1.00 0.00 C ATOM 0 HA LEU B 114 10.189 1.131 2.678 1.00 0.00 H new ATOM 0 HB2 LEU B 114 9.419 3.377 2.044 1.00 0.00 H new ATOM 0 HB3 LEU B 114 11.072 3.872 1.736 1.00 0.00 H new ATOM 0 HG LEU B 114 11.210 2.362 -0.183 1.00 0.00 H new ATOM 0 HD11 LEU B 114 9.242 1.148 -0.986 1.00 0.00 H new ATOM 0 HD12 LEU B 114 9.765 0.564 0.612 1.00 0.00 H new ATOM 0 HD13 LEU B 114 8.345 1.628 0.475 1.00 0.00 H new ATOM 0 HD21 LEU B 114 9.535 3.545 -1.589 1.00 0.00 H new ATOM 0 HD22 LEU B 114 8.681 4.071 -0.119 1.00 0.00 H new ATOM 0 HD23 LEU B 114 10.326 4.663 -0.452 1.00 0.00 H new ATOM 1668 N LEU B 115 13.324 2.022 2.718 1.00 0.00 N ATOM 1669 CA LEU B 115 14.668 1.549 2.374 1.00 0.00 C ATOM 1670 C LEU B 115 14.948 0.208 3.045 1.00 0.00 C ATOM 1671 O LEU B 115 15.435 -0.742 2.402 1.00 0.00 O ATOM 1672 CB LEU B 115 15.728 2.585 2.764 1.00 0.00 C ATOM 1673 CG LEU B 115 17.185 2.225 2.456 1.00 0.00 C ATOM 1674 CD1 LEU B 115 17.385 1.981 0.964 1.00 0.00 C ATOM 1675 CD2 LEU B 115 18.103 3.325 2.941 1.00 0.00 C ATOM 0 H LEU B 115 13.307 2.835 3.334 1.00 0.00 H new ATOM 0 HA LEU B 115 14.717 1.410 1.294 1.00 0.00 H new ATOM 0 HB2 LEU B 115 15.493 3.520 2.256 1.00 0.00 H new ATOM 0 HB3 LEU B 115 15.643 2.774 3.834 1.00 0.00 H new ATOM 0 HG LEU B 115 17.430 1.302 2.981 1.00 0.00 H new ATOM 0 HD11 LEU B 115 18.428 1.727 0.773 1.00 0.00 H new ATOM 0 HD12 LEU B 115 16.747 1.159 0.641 1.00 0.00 H new ATOM 0 HD13 LEU B 115 17.124 2.882 0.410 1.00 0.00 H new ATOM 0 HD21 LEU B 115 19.137 3.061 2.718 1.00 0.00 H new ATOM 0 HD22 LEU B 115 17.850 4.258 2.438 1.00 0.00 H new ATOM 0 HD23 LEU B 115 17.984 3.450 4.017 1.00 0.00 H new ATOM 1687 N THR B 116 14.608 0.125 4.314 1.00 0.00 N ATOM 1688 CA THR B 116 14.757 -1.090 5.083 1.00 0.00 C ATOM 1689 C THR B 116 13.890 -2.216 4.468 1.00 0.00 C ATOM 1690 O THR B 116 14.252 -3.385 4.487 1.00 0.00 O ATOM 1691 CB THR B 116 14.358 -0.813 6.552 1.00 0.00 C ATOM 1692 OG1 THR B 116 15.127 0.316 7.024 1.00 0.00 O ATOM 1693 CG2 THR B 116 14.642 -2.018 7.446 1.00 0.00 C ATOM 0 H THR B 116 14.218 0.905 4.843 1.00 0.00 H new ATOM 0 HA THR B 116 15.796 -1.420 5.060 1.00 0.00 H new ATOM 0 HB THR B 116 13.288 -0.608 6.593 1.00 0.00 H new ATOM 0 HG1 THR B 116 14.887 0.509 7.954 1.00 0.00 H new ATOM 0 HG21 THR B 116 14.350 -1.788 8.471 1.00 0.00 H new ATOM 0 HG22 THR B 116 14.073 -2.877 7.090 1.00 0.00 H new ATOM 0 HG23 THR B 116 15.707 -2.250 7.416 1.00 0.00 H new ATOM 1701 N SER B 117 12.769 -1.837 3.916 1.00 0.00 N ATOM 1702 CA SER B 117 11.895 -2.762 3.235 1.00 0.00 C ATOM 1703 C SER B 117 12.422 -3.115 1.810 1.00 0.00 C ATOM 1704 O SER B 117 12.455 -4.269 1.420 1.00 0.00 O ATOM 1705 CB SER B 117 10.519 -2.136 3.169 1.00 0.00 C ATOM 1706 OG SER B 117 10.095 -1.758 4.482 1.00 0.00 O ATOM 0 H SER B 117 12.432 -0.874 3.924 1.00 0.00 H new ATOM 0 HA SER B 117 11.856 -3.702 3.786 1.00 0.00 H new ATOM 0 HB2 SER B 117 10.538 -1.262 2.517 1.00 0.00 H new ATOM 0 HB3 SER B 117 9.809 -2.841 2.737 1.00 0.00 H new ATOM 0 HG SER B 117 9.464 -2.424 4.826 1.00 0.00 H new ATOM 1712 N ASP B 118 12.875 -2.099 1.093 1.00 0.00 N ATOM 1713 CA ASP B 118 13.324 -2.192 -0.322 1.00 0.00 C ATOM 1714 C ASP B 118 14.513 -3.119 -0.463 1.00 0.00 C ATOM 1715 O ASP B 118 14.647 -3.845 -1.443 1.00 0.00 O ATOM 1716 CB ASP B 118 13.754 -0.804 -0.796 1.00 0.00 C ATOM 1717 CG ASP B 118 13.761 -0.609 -2.298 1.00 0.00 C ATOM 1718 OD1 ASP B 118 14.517 -1.270 -3.016 1.00 0.00 O ATOM 1719 OD2 ASP B 118 13.021 0.288 -2.756 1.00 0.00 O ATOM 0 H ASP B 118 12.950 -1.155 1.472 1.00 0.00 H new ATOM 0 HA ASP B 118 12.496 -2.580 -0.915 1.00 0.00 H new ATOM 0 HB2 ASP B 118 13.088 -0.064 -0.353 1.00 0.00 H new ATOM 0 HB3 ASP B 118 14.755 -0.601 -0.415 1.00 0.00 H new ATOM 1958 N MET B 141 -10.426 -2.150 -11.270 1.00 0.00 N ATOM 1959 CA MET B 141 -9.861 -0.821 -11.268 1.00 0.00 C ATOM 1960 C MET B 141 -8.699 -0.675 -12.228 1.00 0.00 C ATOM 1961 O MET B 141 -8.255 0.410 -12.421 1.00 0.00 O ATOM 1962 CB MET B 141 -9.396 -0.430 -9.881 1.00 0.00 C ATOM 1963 CG MET B 141 -10.491 -0.219 -8.891 1.00 0.00 C ATOM 1964 SD MET B 141 -9.886 -0.029 -7.206 1.00 0.00 S ATOM 1965 CE MET B 141 -9.186 -1.657 -6.921 1.00 0.00 C ATOM 0 HA MET B 141 -10.661 -0.158 -11.597 1.00 0.00 H new ATOM 0 HB2 MET B 141 -8.729 -1.206 -9.504 1.00 0.00 H new ATOM 0 HB3 MET B 141 -8.810 0.486 -9.954 1.00 0.00 H new ATOM 0 HG2 MET B 141 -11.060 0.668 -9.170 1.00 0.00 H new ATOM 0 HG3 MET B 141 -11.178 -1.064 -8.932 1.00 0.00 H new ATOM 0 HE1 MET B 141 -9.855 -2.234 -6.283 1.00 0.00 H new ATOM 0 HE2 MET B 141 -9.060 -2.171 -7.874 1.00 0.00 H new ATOM 0 HE3 MET B 141 -8.217 -1.556 -6.433 1.00 0.00 H new ATOM 1975 N GLU B 142 -8.215 -1.790 -12.796 1.00 0.00 N ATOM 1976 CA GLU B 142 -6.927 -1.891 -13.578 1.00 0.00 C ATOM 1977 C GLU B 142 -6.410 -0.578 -14.250 1.00 0.00 C ATOM 1978 O GLU B 142 -5.311 -0.109 -13.923 1.00 0.00 O ATOM 1979 CB GLU B 142 -6.982 -3.031 -14.602 1.00 0.00 C ATOM 1980 CG GLU B 142 -5.656 -3.265 -15.301 1.00 0.00 C ATOM 1981 CD GLU B 142 -5.662 -4.456 -16.217 1.00 0.00 C ATOM 1982 OE1 GLU B 142 -5.368 -5.568 -15.752 1.00 0.00 O ATOM 1983 OE2 GLU B 142 -5.926 -4.309 -17.429 1.00 0.00 O ATOM 0 H GLU B 142 -8.706 -2.682 -12.735 1.00 0.00 H new ATOM 0 HA GLU B 142 -6.186 -2.108 -12.808 1.00 0.00 H new ATOM 0 HB2 GLU B 142 -7.288 -3.949 -14.100 1.00 0.00 H new ATOM 0 HB3 GLU B 142 -7.745 -2.806 -15.348 1.00 0.00 H new ATOM 0 HG2 GLU B 142 -5.396 -2.376 -15.876 1.00 0.00 H new ATOM 0 HG3 GLU B 142 -4.877 -3.398 -14.550 1.00 0.00 H new ATOM 1990 N SER B 143 -7.194 0.003 -15.143 1.00 0.00 N ATOM 1991 CA SER B 143 -6.820 1.235 -15.854 1.00 0.00 C ATOM 1992 C SER B 143 -6.608 2.399 -14.872 1.00 0.00 C ATOM 1993 O SER B 143 -5.618 3.146 -14.934 1.00 0.00 O ATOM 1994 CB SER B 143 -7.949 1.546 -16.827 1.00 0.00 C ATOM 1995 OG SER B 143 -9.206 1.343 -16.178 1.00 0.00 O ATOM 0 H SER B 143 -8.111 -0.360 -15.403 1.00 0.00 H new ATOM 0 HA SER B 143 -5.878 1.099 -16.385 1.00 0.00 H new ATOM 0 HB2 SER B 143 -7.870 2.576 -17.176 1.00 0.00 H new ATOM 0 HB3 SER B 143 -7.873 0.905 -17.705 1.00 0.00 H new ATOM 0 HG SER B 143 -9.933 1.545 -16.803 1.00 0.00 H new ATOM 2001 N ILE B 144 -7.510 2.479 -13.948 1.00 0.00 N ATOM 2002 CA ILE B 144 -7.544 3.478 -12.922 1.00 0.00 C ATOM 2003 C ILE B 144 -6.402 3.242 -11.934 1.00 0.00 C ATOM 2004 O ILE B 144 -5.773 4.189 -11.470 1.00 0.00 O ATOM 2005 CB ILE B 144 -8.917 3.423 -12.206 1.00 0.00 C ATOM 2006 CG1 ILE B 144 -10.060 3.717 -13.200 1.00 0.00 C ATOM 2007 CG2 ILE B 144 -8.976 4.336 -11.010 1.00 0.00 C ATOM 2008 CD1 ILE B 144 -9.947 5.056 -13.918 1.00 0.00 C ATOM 0 H ILE B 144 -8.283 1.817 -13.883 1.00 0.00 H new ATOM 0 HA ILE B 144 -7.415 4.468 -13.360 1.00 0.00 H new ATOM 0 HB ILE B 144 -9.046 2.410 -11.826 1.00 0.00 H new ATOM 0 HG12 ILE B 144 -10.090 2.922 -13.945 1.00 0.00 H new ATOM 0 HG13 ILE B 144 -11.008 3.686 -12.663 1.00 0.00 H new ATOM 0 HG21 ILE B 144 -9.958 4.261 -10.543 1.00 0.00 H new ATOM 0 HG22 ILE B 144 -8.210 4.045 -10.292 1.00 0.00 H new ATOM 0 HG23 ILE B 144 -8.803 5.364 -11.328 1.00 0.00 H new ATOM 0 HD11 ILE B 144 -10.792 5.178 -14.596 1.00 0.00 H new ATOM 0 HD12 ILE B 144 -9.950 5.863 -13.185 1.00 0.00 H new ATOM 0 HD13 ILE B 144 -9.018 5.086 -14.487 1.00 0.00 H new ATOM 2020 N ILE B 145 -6.133 1.968 -11.645 1.00 0.00 N ATOM 2021 CA ILE B 145 -5.017 1.567 -10.792 1.00 0.00 C ATOM 2022 C ILE B 145 -3.741 2.148 -11.328 1.00 0.00 C ATOM 2023 O ILE B 145 -2.987 2.786 -10.598 1.00 0.00 O ATOM 2024 CB ILE B 145 -4.878 0.012 -10.703 1.00 0.00 C ATOM 2025 CG1 ILE B 145 -5.983 -0.597 -9.841 1.00 0.00 C ATOM 2026 CG2 ILE B 145 -3.500 -0.424 -10.217 1.00 0.00 C ATOM 2027 CD1 ILE B 145 -5.996 -0.107 -8.401 1.00 0.00 C ATOM 0 H ILE B 145 -6.684 1.185 -11.997 1.00 0.00 H new ATOM 0 HA ILE B 145 -5.216 1.945 -9.789 1.00 0.00 H new ATOM 0 HB ILE B 145 -4.991 -0.369 -11.718 1.00 0.00 H new ATOM 0 HG12 ILE B 145 -6.948 -0.374 -10.297 1.00 0.00 H new ATOM 0 HG13 ILE B 145 -5.873 -1.681 -9.842 1.00 0.00 H new ATOM 0 HG21 ILE B 145 -3.457 -1.512 -10.173 1.00 0.00 H new ATOM 0 HG22 ILE B 145 -2.739 -0.058 -10.906 1.00 0.00 H new ATOM 0 HG23 ILE B 145 -3.318 -0.014 -9.224 1.00 0.00 H new ATOM 0 HD11 ILE B 145 -6.811 -0.589 -7.860 1.00 0.00 H new ATOM 0 HD12 ILE B 145 -5.048 -0.354 -7.924 1.00 0.00 H new ATOM 0 HD13 ILE B 145 -6.139 0.973 -8.386 1.00 0.00 H new ATOM 2039 N ARG B 146 -3.532 1.957 -12.607 1.00 0.00 N ATOM 2040 CA ARG B 146 -2.365 2.464 -13.260 1.00 0.00 C ATOM 2041 C ARG B 146 -2.291 3.982 -13.110 1.00 0.00 C ATOM 2042 O ARG B 146 -1.446 4.488 -12.382 1.00 0.00 O ATOM 2043 CB ARG B 146 -2.344 2.046 -14.740 1.00 0.00 C ATOM 2044 CG ARG B 146 -2.251 0.539 -14.973 1.00 0.00 C ATOM 2045 CD ARG B 146 -0.967 -0.032 -14.392 1.00 0.00 C ATOM 2046 NE ARG B 146 -0.821 -1.475 -14.640 1.00 0.00 N ATOM 2047 CZ ARG B 146 0.298 -2.178 -14.428 1.00 0.00 C ATOM 2048 NH1 ARG B 146 1.362 -1.593 -13.905 1.00 0.00 N ATOM 2049 NH2 ARG B 146 0.342 -3.467 -14.741 1.00 0.00 N ATOM 0 H ARG B 146 -4.169 1.446 -13.218 1.00 0.00 H new ATOM 0 HA ARG B 146 -1.484 2.034 -12.784 1.00 0.00 H new ATOM 0 HB2 ARG B 146 -3.247 2.420 -15.223 1.00 0.00 H new ATOM 0 HB3 ARG B 146 -1.498 2.529 -15.229 1.00 0.00 H new ATOM 0 HG2 ARG B 146 -3.110 0.045 -14.518 1.00 0.00 H new ATOM 0 HG3 ARG B 146 -2.293 0.331 -16.042 1.00 0.00 H new ATOM 0 HD2 ARG B 146 -0.114 0.494 -14.821 1.00 0.00 H new ATOM 0 HD3 ARG B 146 -0.947 0.151 -13.318 1.00 0.00 H new ATOM 0 HE ARG B 146 -1.633 -1.977 -15.000 1.00 0.00 H new ATOM 0 HH11 ARG B 146 1.332 -0.603 -13.662 1.00 0.00 H new ATOM 0 HH12 ARG B 146 2.213 -2.132 -13.745 1.00 0.00 H new ATOM 0 HH21 ARG B 146 -0.477 -3.922 -15.143 1.00 0.00 H new ATOM 0 HH22 ARG B 146 1.195 -4.002 -14.579 1.00 0.00 H new ATOM 2063 N SER B 147 -3.237 4.680 -13.694 1.00 0.00 N ATOM 2064 CA SER B 147 -3.222 6.133 -13.717 1.00 0.00 C ATOM 2065 C SER B 147 -3.288 6.804 -12.327 1.00 0.00 C ATOM 2066 O SER B 147 -2.393 7.591 -11.970 1.00 0.00 O ATOM 2067 CB SER B 147 -4.351 6.625 -14.619 1.00 0.00 C ATOM 2068 OG SER B 147 -4.150 6.153 -15.945 1.00 0.00 O ATOM 0 H SER B 147 -4.039 4.263 -14.167 1.00 0.00 H new ATOM 0 HA SER B 147 -2.252 6.431 -14.114 1.00 0.00 H new ATOM 0 HB2 SER B 147 -5.311 6.274 -14.240 1.00 0.00 H new ATOM 0 HB3 SER B 147 -4.385 7.714 -14.612 1.00 0.00 H new ATOM 0 HG SER B 147 -4.878 6.470 -16.519 1.00 0.00 H new ATOM 2074 N GLU B 148 -4.289 6.468 -11.541 1.00 0.00 N ATOM 2075 CA GLU B 148 -4.503 7.137 -10.276 1.00 0.00 C ATOM 2076 C GLU B 148 -3.621 6.604 -9.159 1.00 0.00 C ATOM 2077 O GLU B 148 -3.171 7.369 -8.296 1.00 0.00 O ATOM 2078 CB GLU B 148 -5.970 7.081 -9.838 1.00 0.00 C ATOM 2079 CG GLU B 148 -6.957 7.658 -10.834 1.00 0.00 C ATOM 2080 CD GLU B 148 -8.265 8.026 -10.176 1.00 0.00 C ATOM 2081 OE1 GLU B 148 -9.029 7.142 -9.757 1.00 0.00 O ATOM 2082 OE2 GLU B 148 -8.534 9.232 -10.039 1.00 0.00 O ATOM 0 H GLU B 148 -4.966 5.736 -11.756 1.00 0.00 H new ATOM 0 HA GLU B 148 -4.223 8.175 -10.455 1.00 0.00 H new ATOM 0 HB2 GLU B 148 -6.237 6.042 -9.645 1.00 0.00 H new ATOM 0 HB3 GLU B 148 -6.073 7.617 -8.895 1.00 0.00 H new ATOM 0 HG2 GLU B 148 -6.525 8.542 -11.304 1.00 0.00 H new ATOM 0 HG3 GLU B 148 -7.140 6.933 -11.627 1.00 0.00 H new ATOM 2089 N LEU B 149 -3.364 5.315 -9.166 1.00 0.00 N ATOM 2090 CA LEU B 149 -2.705 4.705 -8.043 1.00 0.00 C ATOM 2091 C LEU B 149 -1.207 4.546 -8.213 1.00 0.00 C ATOM 2092 O LEU B 149 -0.483 4.689 -7.237 1.00 0.00 O ATOM 2093 CB LEU B 149 -3.454 3.398 -7.607 1.00 0.00 C ATOM 2094 CG LEU B 149 -2.885 2.573 -6.429 1.00 0.00 C ATOM 2095 CD1 LEU B 149 -4.005 1.847 -5.707 1.00 0.00 C ATOM 2096 CD2 LEU B 149 -1.891 1.538 -6.923 1.00 0.00 C ATOM 0 H LEU B 149 -3.599 4.679 -9.928 1.00 0.00 H new ATOM 0 HA LEU B 149 -2.776 5.402 -7.208 1.00 0.00 H new ATOM 0 HB2 LEU B 149 -4.478 3.673 -7.354 1.00 0.00 H new ATOM 0 HB3 LEU B 149 -3.506 2.741 -8.476 1.00 0.00 H new ATOM 0 HG LEU B 149 -2.386 3.267 -5.752 1.00 0.00 H new ATOM 0 HD11 LEU B 149 -3.591 1.270 -4.880 1.00 0.00 H new ATOM 0 HD12 LEU B 149 -4.720 2.574 -5.321 1.00 0.00 H new ATOM 0 HD13 LEU B 149 -4.510 1.175 -6.401 1.00 0.00 H new ATOM 0 HD21 LEU B 149 -1.505 0.971 -6.076 1.00 0.00 H new ATOM 0 HD22 LEU B 149 -2.387 0.860 -7.618 1.00 0.00 H new ATOM 0 HD23 LEU B 149 -1.066 2.039 -7.430 1.00 0.00 H new