USER MOD reduce.3.24.130724 H: found=0, std=0, add=801, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 799 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 66 HIS : no HD1:sc= -0.0114 X(o=0.11,f=-0.015) USER MOD Set 1.2: B 112 GLN : amide:sc= 0.126 X(o=0.11,f=-0.013) USER MOD Set 2.1: A 73 TYR OH : rot 180:sc= 0.554 USER MOD Set 2.2: A 77 LYS NZ :NH3+ 157:sc= 1.94 (180deg=0.0341) USER MOD Set 3.1: A 59 ASN : amide:sc= 0 X(o=-0.0066,f=-0.058) USER MOD Set 3.2: A 60 SER OG : rot 180:sc=-0.00661 USER MOD Set 4.1: A 46 TYR OH : rot 180:sc= -0.29 USER MOD Set 4.2: A 71 LYS NZ :NH3+ -118:sc= -0.251 (180deg=-1.78!) USER MOD Set 5.1: A 20 HIS : no HE2:sc= 0.74 K(o=1.8,f=-1.4) USER MOD Set 5.2: A 24 GLN : amide:sc= 0.892 K(o=1.8,f=-1.2) USER MOD Set 5.3: A 29 THR OG1 : rot -118:sc= 0.14 USER MOD Set 6.1: A 17 HIS : no HE2:sc= -2.05! K(o=-0.3!,f=-5.1) USER MOD Set 6.2: A 21 LYS NZ :NH3+ 177:sc= 1.84 (180deg=0.905) USER MOD Set 6.3: B 119 SER OG : rot -80:sc= -0.0855 USER MOD Set 7.1: A 12 GLN : amide:sc= -1.28! X(o=-0.46!,f=-0.19) USER MOD Set 7.2: A 16 SER OG : rot 160:sc= 0.829 USER MOD Single : A 7 HIS : no HD1:sc= -0.0192 X(o=-0.019,f=-0.16) USER MOD Single : A 9 HIS : no HD1:sc= -1.26 K(o=-1.3,f=-0.42) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 MET CE :methyl -176:sc= -4.58! (180deg=-4.69!) USER MOD Single : A 42 ASN : amide:sc= -1.02 K(o=-1,f=-4.5!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ -133:sc= 0.996 (180deg=0.733) USER MOD Single : A 54 MET CE :methyl 161:sc= -2.86! (180deg=-4.39!) USER MOD Single : A 55 TYR OH : rot 180:sc= -0.0492 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 64 TYR OH : rot 52:sc= 0.953 USER MOD Single : A 65 TYR OH : rot 27:sc= -1.59! USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 GLN : amide:sc= -0.593 K(o=-0.59,f=-1.2!) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 110 THR OG1 : rot 36:sc= 0.254 USER MOD Single : B 116 THR OG1 : rot 180:sc= 0 USER MOD Single : B 117 SER OG : rot 97:sc= 1.22 USER MOD Single : B 141 MET CE :methyl 165:sc= -0.0775 (180deg=-0.614) USER MOD Single : B 143 SER OG : rot 180:sc= 0 USER MOD Single : B 147 SER OG : rot 180:sc= 0.00613 USER MOD Single : B 150 MET CE :methyl 164:sc= -0.0634 (180deg=-0.407) USER MOD ----------------------------------------------------------------- ATOM 72 N GLY A 5 22.290 -0.403 -5.204 1.00 0.00 N ATOM 73 CA GLY A 5 22.934 -0.829 -3.960 1.00 0.00 C ATOM 74 C GLY A 5 22.061 -0.686 -2.730 1.00 0.00 C ATOM 75 O GLY A 5 22.264 -1.388 -1.720 1.00 0.00 O ATOM 0 HA2 GLY A 5 23.236 -1.872 -4.059 1.00 0.00 H new ATOM 0 HA3 GLY A 5 23.844 -0.246 -3.816 1.00 0.00 H new ATOM 79 N TRP A 6 21.079 0.188 -2.811 1.00 0.00 N ATOM 80 CA TRP A 6 20.148 0.407 -1.727 1.00 0.00 C ATOM 81 C TRP A 6 19.288 -0.833 -1.413 1.00 0.00 C ATOM 82 O TRP A 6 18.596 -0.860 -0.395 1.00 0.00 O ATOM 83 CB TRP A 6 19.263 1.635 -1.977 1.00 0.00 C ATOM 84 CG TRP A 6 18.383 1.574 -3.197 1.00 0.00 C ATOM 85 CD1 TRP A 6 18.656 2.075 -4.427 1.00 0.00 C ATOM 86 CD2 TRP A 6 17.072 1.002 -3.289 1.00 0.00 C ATOM 87 NE1 TRP A 6 17.597 1.867 -5.264 1.00 0.00 N ATOM 88 CE2 TRP A 6 16.622 1.205 -4.597 1.00 0.00 C ATOM 89 CE3 TRP A 6 16.242 0.338 -2.396 1.00 0.00 C ATOM 90 CZ2 TRP A 6 15.385 0.778 -5.031 1.00 0.00 C ATOM 91 CZ3 TRP A 6 15.010 -0.089 -2.830 1.00 0.00 C ATOM 92 CH2 TRP A 6 14.592 0.133 -4.135 1.00 0.00 C ATOM 0 H TRP A 6 20.905 0.767 -3.633 1.00 0.00 H new ATOM 0 HA TRP A 6 20.758 0.600 -0.845 1.00 0.00 H new ATOM 0 HB2 TRP A 6 18.629 1.786 -1.103 1.00 0.00 H new ATOM 0 HB3 TRP A 6 19.906 2.511 -2.060 1.00 0.00 H new ATOM 0 HD1 TRP A 6 19.577 2.567 -4.704 1.00 0.00 H new ATOM 0 HE1 TRP A 6 17.548 2.164 -6.239 1.00 0.00 H new ATOM 0 HE3 TRP A 6 16.559 0.160 -1.379 1.00 0.00 H new ATOM 0 HZ2 TRP A 6 15.058 0.950 -6.046 1.00 0.00 H new ATOM 0 HZ3 TRP A 6 14.356 -0.606 -2.144 1.00 0.00 H new ATOM 0 HH2 TRP A 6 13.617 -0.214 -4.445 1.00 0.00 H new ATOM 103 N HIS A 7 19.340 -1.857 -2.272 1.00 0.00 N ATOM 104 CA HIS A 7 18.572 -3.090 -2.054 1.00 0.00 C ATOM 105 C HIS A 7 18.973 -3.770 -0.735 1.00 0.00 C ATOM 106 O HIS A 7 18.170 -4.440 -0.103 1.00 0.00 O ATOM 107 CB HIS A 7 18.687 -4.084 -3.252 1.00 0.00 C ATOM 108 CG HIS A 7 20.030 -4.771 -3.455 1.00 0.00 C ATOM 109 ND1 HIS A 7 20.206 -6.139 -3.401 1.00 0.00 N ATOM 110 CD2 HIS A 7 21.240 -4.264 -3.780 1.00 0.00 C ATOM 111 CE1 HIS A 7 21.481 -6.407 -3.693 1.00 0.00 C ATOM 112 NE2 HIS A 7 22.153 -5.299 -3.933 1.00 0.00 N ATOM 0 H HIS A 7 19.904 -1.858 -3.122 1.00 0.00 H new ATOM 0 HA HIS A 7 17.524 -2.797 -1.983 1.00 0.00 H new ATOM 0 HB2 HIS A 7 17.928 -4.856 -3.126 1.00 0.00 H new ATOM 0 HB3 HIS A 7 18.442 -3.543 -4.166 1.00 0.00 H new ATOM 0 HD2 HIS A 7 21.463 -3.214 -3.902 1.00 0.00 H new ATOM 0 HE1 HIS A 7 21.905 -7.400 -3.728 1.00 0.00 H new ATOM 0 HE2 HIS A 7 23.139 -5.218 -4.180 1.00 0.00 H new ATOM 120 N GLU A 8 20.203 -3.555 -0.315 1.00 0.00 N ATOM 121 CA GLU A 8 20.711 -4.139 0.921 1.00 0.00 C ATOM 122 C GLU A 8 20.362 -3.273 2.117 1.00 0.00 C ATOM 123 O GLU A 8 20.620 -3.637 3.260 1.00 0.00 O ATOM 124 CB GLU A 8 22.217 -4.311 0.833 1.00 0.00 C ATOM 125 CG GLU A 8 22.653 -5.251 -0.264 1.00 0.00 C ATOM 126 CD GLU A 8 22.186 -6.665 -0.026 1.00 0.00 C ATOM 127 OE1 GLU A 8 21.064 -7.031 -0.442 1.00 0.00 O ATOM 128 OE2 GLU A 8 22.929 -7.441 0.579 1.00 0.00 O ATOM 0 H GLU A 8 20.879 -2.975 -0.813 1.00 0.00 H new ATOM 0 HA GLU A 8 20.241 -5.114 1.054 1.00 0.00 H new ATOM 0 HB2 GLU A 8 22.677 -3.336 0.669 1.00 0.00 H new ATOM 0 HB3 GLU A 8 22.589 -4.683 1.788 1.00 0.00 H new ATOM 0 HG2 GLU A 8 22.263 -4.898 -1.218 1.00 0.00 H new ATOM 0 HG3 GLU A 8 23.740 -5.238 -0.340 1.00 0.00 H new ATOM 135 N HIS A 9 19.784 -2.128 1.846 1.00 0.00 N ATOM 136 CA HIS A 9 19.405 -1.192 2.891 1.00 0.00 C ATOM 137 C HIS A 9 17.953 -1.371 3.246 1.00 0.00 C ATOM 138 O HIS A 9 17.512 -1.037 4.349 1.00 0.00 O ATOM 139 CB HIS A 9 19.646 0.251 2.451 1.00 0.00 C ATOM 140 CG HIS A 9 21.089 0.617 2.283 1.00 0.00 C ATOM 141 ND1 HIS A 9 21.774 1.453 3.130 1.00 0.00 N ATOM 142 CD2 HIS A 9 21.973 0.258 1.322 1.00 0.00 C ATOM 143 CE1 HIS A 9 23.017 1.582 2.672 1.00 0.00 C ATOM 144 NE2 HIS A 9 23.192 0.871 1.568 1.00 0.00 N ATOM 0 H HIS A 9 19.561 -1.814 0.901 1.00 0.00 H new ATOM 0 HA HIS A 9 20.023 -1.398 3.765 1.00 0.00 H new ATOM 0 HB2 HIS A 9 19.129 0.421 1.507 1.00 0.00 H new ATOM 0 HB3 HIS A 9 19.197 0.921 3.185 1.00 0.00 H new ATOM 0 HD2 HIS A 9 21.762 -0.402 0.494 1.00 0.00 H new ATOM 0 HE1 HIS A 9 23.781 2.186 3.138 1.00 0.00 H new ATOM 0 HE2 HIS A 9 24.045 0.791 1.015 1.00 0.00 H new ATOM 152 N VAL A 10 17.214 -1.884 2.310 1.00 0.00 N ATOM 153 CA VAL A 10 15.823 -2.132 2.501 1.00 0.00 C ATOM 154 C VAL A 10 15.636 -3.586 2.891 1.00 0.00 C ATOM 155 O VAL A 10 16.127 -4.494 2.218 1.00 0.00 O ATOM 156 CB VAL A 10 14.998 -1.742 1.235 1.00 0.00 C ATOM 157 CG1 VAL A 10 15.436 -2.460 -0.019 1.00 0.00 C ATOM 158 CG2 VAL A 10 13.501 -1.849 1.457 1.00 0.00 C ATOM 0 H VAL A 10 17.564 -2.143 1.388 1.00 0.00 H new ATOM 0 HA VAL A 10 15.443 -1.505 3.308 1.00 0.00 H new ATOM 0 HB VAL A 10 15.220 -0.688 1.067 1.00 0.00 H new ATOM 0 HG11 VAL A 10 14.818 -2.138 -0.857 1.00 0.00 H new ATOM 0 HG12 VAL A 10 16.480 -2.225 -0.227 1.00 0.00 H new ATOM 0 HG13 VAL A 10 15.327 -3.536 0.121 1.00 0.00 H new ATOM 0 HG21 VAL A 10 12.977 -1.566 0.544 1.00 0.00 H new ATOM 0 HG22 VAL A 10 13.245 -2.875 1.720 1.00 0.00 H new ATOM 0 HG23 VAL A 10 13.205 -1.182 2.267 1.00 0.00 H new ATOM 168 N THR A 11 15.005 -3.803 3.994 1.00 0.00 N ATOM 169 CA THR A 11 14.832 -5.128 4.486 1.00 0.00 C ATOM 170 C THR A 11 13.590 -5.758 3.866 1.00 0.00 C ATOM 171 O THR A 11 12.629 -5.049 3.518 1.00 0.00 O ATOM 172 CB THR A 11 14.656 -5.112 6.003 1.00 0.00 C ATOM 173 OG1 THR A 11 15.553 -4.145 6.582 1.00 0.00 O ATOM 174 CG2 THR A 11 14.988 -6.476 6.558 1.00 0.00 C ATOM 0 H THR A 11 14.597 -3.073 4.577 1.00 0.00 H new ATOM 0 HA THR A 11 15.718 -5.706 4.222 1.00 0.00 H new ATOM 0 HB THR A 11 13.625 -4.851 6.244 1.00 0.00 H new ATOM 0 HG1 THR A 11 15.438 -4.134 7.555 1.00 0.00 H new ATOM 0 HG21 THR A 11 14.863 -6.468 7.641 1.00 0.00 H new ATOM 0 HG22 THR A 11 14.321 -7.219 6.121 1.00 0.00 H new ATOM 0 HG23 THR A 11 16.020 -6.727 6.313 1.00 0.00 H new ATOM 182 N GLN A 12 13.604 -7.076 3.743 1.00 0.00 N ATOM 183 CA GLN A 12 12.479 -7.830 3.253 1.00 0.00 C ATOM 184 C GLN A 12 11.236 -7.545 4.105 1.00 0.00 C ATOM 185 O GLN A 12 10.164 -7.336 3.574 1.00 0.00 O ATOM 186 CB GLN A 12 12.844 -9.342 3.176 1.00 0.00 C ATOM 187 CG GLN A 12 11.720 -10.299 2.747 1.00 0.00 C ATOM 188 CD GLN A 12 10.709 -10.624 3.849 1.00 0.00 C ATOM 189 OE1 GLN A 12 9.532 -10.863 3.575 1.00 0.00 O ATOM 190 NE2 GLN A 12 11.147 -10.623 5.088 1.00 0.00 N ATOM 0 H GLN A 12 14.410 -7.652 3.986 1.00 0.00 H new ATOM 0 HA GLN A 12 12.233 -7.516 2.238 1.00 0.00 H new ATOM 0 HB2 GLN A 12 13.674 -9.457 2.479 1.00 0.00 H new ATOM 0 HB3 GLN A 12 13.204 -9.656 4.156 1.00 0.00 H new ATOM 0 HG2 GLN A 12 11.189 -9.860 1.902 1.00 0.00 H new ATOM 0 HG3 GLN A 12 12.166 -11.229 2.395 1.00 0.00 H new ATOM 0 HE21 GLN A 12 12.128 -10.421 5.282 1.00 0.00 H new ATOM 0 HE22 GLN A 12 10.506 -10.824 5.856 1.00 0.00 H new ATOM 199 N ASP A 13 11.402 -7.484 5.421 1.00 0.00 N ATOM 200 CA ASP A 13 10.264 -7.179 6.317 1.00 0.00 C ATOM 201 C ASP A 13 9.674 -5.814 6.043 1.00 0.00 C ATOM 202 O ASP A 13 8.466 -5.640 6.142 1.00 0.00 O ATOM 203 CB ASP A 13 10.624 -7.261 7.809 1.00 0.00 C ATOM 204 CG ASP A 13 10.838 -8.659 8.315 1.00 0.00 C ATOM 205 OD1 ASP A 13 9.850 -9.404 8.496 1.00 0.00 O ATOM 206 OD2 ASP A 13 11.997 -9.044 8.553 1.00 0.00 O ATOM 0 H ASP A 13 12.291 -7.637 5.896 1.00 0.00 H new ATOM 0 HA ASP A 13 9.528 -7.952 6.096 1.00 0.00 H new ATOM 0 HB2 ASP A 13 11.529 -6.680 7.985 1.00 0.00 H new ATOM 0 HB3 ASP A 13 9.828 -6.794 8.389 1.00 0.00 H new ATOM 211 N LEU A 14 10.515 -4.876 5.614 1.00 0.00 N ATOM 212 CA LEU A 14 10.095 -3.491 5.427 1.00 0.00 C ATOM 213 C LEU A 14 9.218 -3.443 4.198 1.00 0.00 C ATOM 214 O LEU A 14 8.069 -3.014 4.252 1.00 0.00 O ATOM 215 CB LEU A 14 11.372 -2.585 5.302 1.00 0.00 C ATOM 216 CG LEU A 14 11.241 -1.027 5.167 1.00 0.00 C ATOM 217 CD1 LEU A 14 10.755 -0.592 3.816 1.00 0.00 C ATOM 218 CD2 LEU A 14 10.348 -0.437 6.231 1.00 0.00 C ATOM 0 H LEU A 14 11.494 -5.052 5.389 1.00 0.00 H new ATOM 0 HA LEU A 14 9.520 -3.115 6.273 1.00 0.00 H new ATOM 0 HB2 LEU A 14 11.990 -2.780 6.178 1.00 0.00 H new ATOM 0 HB3 LEU A 14 11.930 -2.936 4.434 1.00 0.00 H new ATOM 0 HG LEU A 14 12.254 -0.647 5.300 1.00 0.00 H new ATOM 0 HD11 LEU A 14 10.686 0.495 3.787 1.00 0.00 H new ATOM 0 HD12 LEU A 14 11.454 -0.932 3.051 1.00 0.00 H new ATOM 0 HD13 LEU A 14 9.772 -1.023 3.627 1.00 0.00 H new ATOM 0 HD21 LEU A 14 10.287 0.643 6.097 1.00 0.00 H new ATOM 0 HD22 LEU A 14 9.351 -0.869 6.150 1.00 0.00 H new ATOM 0 HD23 LEU A 14 10.760 -0.658 7.216 1.00 0.00 H new ATOM 230 N ARG A 15 9.738 -3.983 3.122 1.00 0.00 N ATOM 231 CA ARG A 15 9.029 -4.014 1.865 1.00 0.00 C ATOM 232 C ARG A 15 7.753 -4.810 1.930 1.00 0.00 C ATOM 233 O ARG A 15 6.701 -4.346 1.493 1.00 0.00 O ATOM 234 CB ARG A 15 9.910 -4.495 0.743 1.00 0.00 C ATOM 235 CG ARG A 15 10.685 -5.741 0.987 1.00 0.00 C ATOM 236 CD ARG A 15 11.745 -5.896 -0.058 1.00 0.00 C ATOM 237 NE ARG A 15 11.184 -5.734 -1.433 1.00 0.00 N ATOM 238 CZ ARG A 15 11.665 -6.270 -2.562 1.00 0.00 C ATOM 239 NH1 ARG A 15 12.821 -6.939 -2.559 1.00 0.00 N ATOM 240 NH2 ARG A 15 10.993 -6.095 -3.706 1.00 0.00 N ATOM 0 H ARG A 15 10.663 -4.413 3.093 1.00 0.00 H new ATOM 0 HA ARG A 15 8.744 -2.983 1.655 1.00 0.00 H new ATOM 0 HB2 ARG A 15 9.286 -4.650 -0.137 1.00 0.00 H new ATOM 0 HB3 ARG A 15 10.614 -3.699 0.498 1.00 0.00 H new ATOM 0 HG2 ARG A 15 11.140 -5.708 1.977 1.00 0.00 H new ATOM 0 HG3 ARG A 15 10.018 -6.603 0.971 1.00 0.00 H new ATOM 0 HD2 ARG A 15 12.530 -5.157 0.106 1.00 0.00 H new ATOM 0 HD3 ARG A 15 12.208 -6.879 0.034 1.00 0.00 H new ATOM 0 HE ARG A 15 10.349 -5.156 -1.521 1.00 0.00 H new ATOM 0 HH11 ARG A 15 13.346 -7.046 -1.691 1.00 0.00 H new ATOM 0 HH12 ARG A 15 13.178 -7.343 -3.425 1.00 0.00 H new ATOM 0 HH21 ARG A 15 10.125 -5.559 -3.711 1.00 0.00 H new ATOM 0 HH22 ARG A 15 11.348 -6.498 -4.573 1.00 0.00 H new ATOM 254 N SER A 16 7.825 -5.982 2.522 1.00 0.00 N ATOM 255 CA SER A 16 6.676 -6.825 2.645 1.00 0.00 C ATOM 256 C SER A 16 5.636 -6.189 3.591 1.00 0.00 C ATOM 257 O SER A 16 4.432 -6.480 3.507 1.00 0.00 O ATOM 258 CB SER A 16 7.107 -8.192 3.124 1.00 0.00 C ATOM 259 OG SER A 16 8.099 -8.744 2.261 1.00 0.00 O ATOM 0 H SER A 16 8.679 -6.367 2.926 1.00 0.00 H new ATOM 0 HA SER A 16 6.198 -6.937 1.672 1.00 0.00 H new ATOM 0 HB2 SER A 16 7.501 -8.119 4.138 1.00 0.00 H new ATOM 0 HB3 SER A 16 6.244 -8.856 3.164 1.00 0.00 H new ATOM 0 HG SER A 16 8.587 -9.451 2.733 1.00 0.00 H new ATOM 265 N HIS A 17 6.103 -5.308 4.474 1.00 0.00 N ATOM 266 CA HIS A 17 5.224 -4.573 5.349 1.00 0.00 C ATOM 267 C HIS A 17 4.405 -3.590 4.525 1.00 0.00 C ATOM 268 O HIS A 17 3.185 -3.492 4.710 1.00 0.00 O ATOM 269 CB HIS A 17 6.024 -3.833 6.426 1.00 0.00 C ATOM 270 CG HIS A 17 5.206 -3.205 7.497 1.00 0.00 C ATOM 271 ND1 HIS A 17 4.964 -3.797 8.715 1.00 0.00 N ATOM 272 CD2 HIS A 17 4.604 -1.994 7.538 1.00 0.00 C ATOM 273 CE1 HIS A 17 4.245 -2.957 9.444 1.00 0.00 C ATOM 274 NE2 HIS A 17 3.995 -1.832 8.771 1.00 0.00 N ATOM 0 H HIS A 17 7.093 -5.093 4.594 1.00 0.00 H new ATOM 0 HA HIS A 17 4.554 -5.271 5.851 1.00 0.00 H new ATOM 0 HB2 HIS A 17 6.721 -4.534 6.886 1.00 0.00 H new ATOM 0 HB3 HIS A 17 6.622 -3.059 5.945 1.00 0.00 H new ATOM 0 HD1 HIS A 17 5.283 -4.721 9.006 1.00 0.00 H new ATOM 0 HD2 HIS A 17 4.599 -1.270 6.737 1.00 0.00 H new ATOM 0 HE1 HIS A 17 3.906 -3.156 10.450 1.00 0.00 H new ATOM 282 N LEU A 18 5.061 -2.868 3.598 1.00 0.00 N ATOM 283 CA LEU A 18 4.309 -1.945 2.739 1.00 0.00 C ATOM 284 C LEU A 18 3.309 -2.724 1.904 1.00 0.00 C ATOM 285 O LEU A 18 2.195 -2.282 1.718 1.00 0.00 O ATOM 286 CB LEU A 18 5.165 -1.057 1.798 1.00 0.00 C ATOM 287 CG LEU A 18 6.226 -0.096 2.396 1.00 0.00 C ATOM 288 CD1 LEU A 18 5.867 0.421 3.751 1.00 0.00 C ATOM 289 CD2 LEU A 18 7.577 -0.705 2.386 1.00 0.00 C ATOM 0 H LEU A 18 6.067 -2.903 3.430 1.00 0.00 H new ATOM 0 HA LEU A 18 3.820 -1.257 3.429 1.00 0.00 H new ATOM 0 HB2 LEU A 18 5.682 -1.722 1.106 1.00 0.00 H new ATOM 0 HB3 LEU A 18 4.477 -0.453 1.206 1.00 0.00 H new ATOM 0 HG LEU A 18 6.242 0.775 1.741 1.00 0.00 H new ATOM 0 HD11 LEU A 18 6.654 1.086 4.107 1.00 0.00 H new ATOM 0 HD12 LEU A 18 4.927 0.969 3.694 1.00 0.00 H new ATOM 0 HD13 LEU A 18 5.758 -0.415 4.442 1.00 0.00 H new ATOM 0 HD21 LEU A 18 8.295 -0.004 2.812 1.00 0.00 H new ATOM 0 HD22 LEU A 18 7.568 -1.620 2.978 1.00 0.00 H new ATOM 0 HD23 LEU A 18 7.863 -0.939 1.361 1.00 0.00 H new ATOM 301 N VAL A 19 3.721 -3.908 1.436 1.00 0.00 N ATOM 302 CA VAL A 19 2.851 -4.818 0.664 1.00 0.00 C ATOM 303 C VAL A 19 1.553 -5.119 1.456 1.00 0.00 C ATOM 304 O VAL A 19 0.423 -5.008 0.920 1.00 0.00 O ATOM 305 CB VAL A 19 3.588 -6.167 0.336 1.00 0.00 C ATOM 306 CG1 VAL A 19 2.688 -7.136 -0.385 1.00 0.00 C ATOM 307 CG2 VAL A 19 4.820 -5.929 -0.503 1.00 0.00 C ATOM 0 H VAL A 19 4.665 -4.267 1.579 1.00 0.00 H new ATOM 0 HA VAL A 19 2.600 -4.322 -0.274 1.00 0.00 H new ATOM 0 HB VAL A 19 3.878 -6.599 1.294 1.00 0.00 H new ATOM 0 HG11 VAL A 19 3.236 -8.055 -0.593 1.00 0.00 H new ATOM 0 HG12 VAL A 19 1.823 -7.362 0.239 1.00 0.00 H new ATOM 0 HG13 VAL A 19 2.353 -6.693 -1.323 1.00 0.00 H new ATOM 0 HG21 VAL A 19 5.307 -6.881 -0.713 1.00 0.00 H new ATOM 0 HG22 VAL A 19 4.535 -5.453 -1.441 1.00 0.00 H new ATOM 0 HG23 VAL A 19 5.509 -5.281 0.038 1.00 0.00 H new ATOM 317 N HIS A 20 1.724 -5.459 2.734 1.00 0.00 N ATOM 318 CA HIS A 20 0.602 -5.732 3.624 1.00 0.00 C ATOM 319 C HIS A 20 -0.316 -4.508 3.706 1.00 0.00 C ATOM 320 O HIS A 20 -1.536 -4.629 3.588 1.00 0.00 O ATOM 321 CB HIS A 20 1.103 -6.163 5.031 1.00 0.00 C ATOM 322 CG HIS A 20 0.008 -6.428 6.048 1.00 0.00 C ATOM 323 ND1 HIS A 20 0.051 -5.994 7.358 1.00 0.00 N ATOM 324 CD2 HIS A 20 -1.167 -7.100 5.924 1.00 0.00 C ATOM 325 CE1 HIS A 20 -1.060 -6.392 7.966 1.00 0.00 C ATOM 326 NE2 HIS A 20 -1.842 -7.071 7.146 1.00 0.00 N ATOM 0 H HIS A 20 2.639 -5.552 3.176 1.00 0.00 H new ATOM 0 HA HIS A 20 0.025 -6.562 3.216 1.00 0.00 H new ATOM 0 HB2 HIS A 20 1.706 -7.065 4.925 1.00 0.00 H new ATOM 0 HB3 HIS A 20 1.759 -5.385 5.421 1.00 0.00 H new ATOM 0 HD1 HIS A 20 0.807 -5.459 7.785 1.00 0.00 H new ATOM 0 HD2 HIS A 20 -1.522 -7.580 5.024 1.00 0.00 H new ATOM 0 HE1 HIS A 20 -1.295 -6.187 9.000 1.00 0.00 H new ATOM 334 N LYS A 21 0.269 -3.329 3.853 1.00 0.00 N ATOM 335 CA LYS A 21 -0.537 -2.121 3.917 1.00 0.00 C ATOM 336 C LYS A 21 -1.155 -1.755 2.594 1.00 0.00 C ATOM 337 O LYS A 21 -2.213 -1.163 2.573 1.00 0.00 O ATOM 338 CB LYS A 21 0.152 -0.913 4.588 1.00 0.00 C ATOM 339 CG LYS A 21 0.170 -1.012 6.109 1.00 0.00 C ATOM 340 CD LYS A 21 1.196 -2.012 6.588 1.00 0.00 C ATOM 341 CE LYS A 21 0.970 -2.436 8.036 1.00 0.00 C ATOM 342 NZ LYS A 21 1.163 -1.340 9.006 1.00 0.00 N ATOM 0 H LYS A 21 1.276 -3.184 3.929 1.00 0.00 H new ATOM 0 HA LYS A 21 -1.351 -2.389 4.590 1.00 0.00 H new ATOM 0 HB2 LYS A 21 1.176 -0.835 4.222 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -0.362 0.002 4.294 1.00 0.00 H new ATOM 0 HG2 LYS A 21 0.388 -0.033 6.536 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -0.818 -1.303 6.467 1.00 0.00 H new ATOM 0 HD2 LYS A 21 1.167 -2.893 5.947 1.00 0.00 H new ATOM 0 HD3 LYS A 21 2.192 -1.580 6.491 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -0.042 -2.827 8.138 1.00 0.00 H new ATOM 0 HE3 LYS A 21 1.653 -3.250 8.279 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 0.945 -1.682 9.964 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 2.150 -1.015 8.971 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 0.530 -0.550 8.768 1.00 0.00 H new ATOM 356 N LEU A 22 -0.496 -2.104 1.493 1.00 0.00 N ATOM 357 CA LEU A 22 -1.051 -1.894 0.161 1.00 0.00 C ATOM 358 C LEU A 22 -2.391 -2.593 0.049 1.00 0.00 C ATOM 359 O LEU A 22 -3.358 -2.001 -0.416 1.00 0.00 O ATOM 360 CB LEU A 22 -0.073 -2.345 -0.945 1.00 0.00 C ATOM 361 CG LEU A 22 1.157 -1.444 -1.177 1.00 0.00 C ATOM 362 CD1 LEU A 22 2.153 -2.122 -2.100 1.00 0.00 C ATOM 363 CD2 LEU A 22 0.729 -0.149 -1.816 1.00 0.00 C ATOM 0 H LEU A 22 0.428 -2.536 1.498 1.00 0.00 H new ATOM 0 HA LEU A 22 -1.206 -0.825 0.014 1.00 0.00 H new ATOM 0 HB2 LEU A 22 0.278 -3.348 -0.703 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -0.626 -2.418 -1.882 1.00 0.00 H new ATOM 0 HG LEU A 22 1.624 -1.256 -0.210 1.00 0.00 H new ATOM 0 HD11 LEU A 22 3.013 -1.469 -2.250 1.00 0.00 H new ATOM 0 HD12 LEU A 22 2.483 -3.060 -1.653 1.00 0.00 H new ATOM 0 HD13 LEU A 22 1.679 -2.325 -3.061 1.00 0.00 H new ATOM 0 HD21 LEU A 22 1.602 0.483 -1.977 1.00 0.00 H new ATOM 0 HD22 LEU A 22 0.249 -0.356 -2.773 1.00 0.00 H new ATOM 0 HD23 LEU A 22 0.025 0.365 -1.161 1.00 0.00 H new ATOM 375 N VAL A 23 -2.443 -3.835 0.530 1.00 0.00 N ATOM 376 CA VAL A 23 -3.699 -4.589 0.612 1.00 0.00 C ATOM 377 C VAL A 23 -4.710 -3.897 1.540 1.00 0.00 C ATOM 378 O VAL A 23 -5.839 -3.653 1.164 1.00 0.00 O ATOM 379 CB VAL A 23 -3.457 -6.040 1.115 1.00 0.00 C ATOM 380 CG1 VAL A 23 -4.757 -6.669 1.626 1.00 0.00 C ATOM 381 CG2 VAL A 23 -2.954 -6.864 -0.030 1.00 0.00 C ATOM 0 H VAL A 23 -1.627 -4.344 0.871 1.00 0.00 H new ATOM 0 HA VAL A 23 -4.109 -4.625 -0.397 1.00 0.00 H new ATOM 0 HB VAL A 23 -2.734 -6.010 1.931 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -4.559 -7.684 1.972 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -5.149 -6.075 2.451 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -5.489 -6.697 0.819 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -2.779 -7.886 0.306 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -3.695 -6.867 -0.829 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -2.021 -6.440 -0.402 1.00 0.00 H new ATOM 391 N GLN A 24 -4.274 -3.579 2.728 1.00 0.00 N ATOM 392 CA GLN A 24 -5.136 -2.995 3.753 1.00 0.00 C ATOM 393 C GLN A 24 -5.675 -1.602 3.345 1.00 0.00 C ATOM 394 O GLN A 24 -6.718 -1.160 3.827 1.00 0.00 O ATOM 395 CB GLN A 24 -4.354 -2.933 5.057 1.00 0.00 C ATOM 396 CG GLN A 24 -3.944 -4.314 5.595 1.00 0.00 C ATOM 397 CD GLN A 24 -5.021 -5.006 6.404 1.00 0.00 C ATOM 398 OE1 GLN A 24 -6.215 -4.776 6.232 1.00 0.00 O ATOM 399 NE2 GLN A 24 -4.607 -5.895 7.262 1.00 0.00 N ATOM 0 H GLN A 24 -3.308 -3.713 3.027 1.00 0.00 H new ATOM 0 HA GLN A 24 -6.017 -3.625 3.879 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -3.458 -2.331 4.905 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -4.957 -2.424 5.809 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -3.669 -4.952 4.755 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -3.055 -4.201 6.215 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -3.608 -6.062 7.381 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -5.282 -6.424 7.815 1.00 0.00 H new ATOM 408 N ALA A 25 -4.945 -0.914 2.485 1.00 0.00 N ATOM 409 CA ALA A 25 -5.367 0.364 1.971 1.00 0.00 C ATOM 410 C ALA A 25 -6.348 0.209 0.835 1.00 0.00 C ATOM 411 O ALA A 25 -7.369 0.887 0.812 1.00 0.00 O ATOM 412 CB ALA A 25 -4.186 1.117 1.491 1.00 0.00 C ATOM 0 H ALA A 25 -4.044 -1.231 2.127 1.00 0.00 H new ATOM 0 HA ALA A 25 -5.861 0.904 2.779 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -4.505 2.084 1.102 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -3.491 1.269 2.317 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -3.692 0.553 0.700 1.00 0.00 H new ATOM 418 N ILE A 26 -6.043 -0.694 -0.098 1.00 0.00 N ATOM 419 CA ILE A 26 -6.890 -0.900 -1.274 1.00 0.00 C ATOM 420 C ILE A 26 -8.192 -1.570 -0.849 1.00 0.00 C ATOM 421 O ILE A 26 -9.259 -1.335 -1.428 1.00 0.00 O ATOM 422 CB ILE A 26 -6.176 -1.786 -2.375 1.00 0.00 C ATOM 423 CG1 ILE A 26 -7.030 -1.890 -3.639 1.00 0.00 C ATOM 424 CG2 ILE A 26 -5.838 -3.182 -1.865 1.00 0.00 C ATOM 425 CD1 ILE A 26 -6.544 -2.934 -4.630 1.00 0.00 C ATOM 0 H ILE A 26 -5.218 -1.293 -0.063 1.00 0.00 H new ATOM 0 HA ILE A 26 -7.090 0.077 -1.714 1.00 0.00 H new ATOM 0 HB ILE A 26 -5.240 -1.282 -2.616 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -8.056 -2.125 -3.354 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -7.051 -0.918 -4.132 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -5.350 -3.750 -2.657 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -5.168 -3.104 -1.009 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -6.754 -3.691 -1.564 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -7.203 -2.946 -5.498 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -5.530 -2.691 -4.947 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -6.550 -3.916 -4.157 1.00 0.00 H new ATOM 437 N PHE A 27 -8.091 -2.363 0.179 1.00 0.00 N ATOM 438 CA PHE A 27 -9.173 -3.114 0.673 1.00 0.00 C ATOM 439 C PHE A 27 -9.376 -2.910 2.158 1.00 0.00 C ATOM 440 O PHE A 27 -8.729 -3.578 2.977 1.00 0.00 O ATOM 441 CB PHE A 27 -8.971 -4.593 0.323 1.00 0.00 C ATOM 442 CG PHE A 27 -9.820 -5.038 -0.817 1.00 0.00 C ATOM 443 CD1 PHE A 27 -9.559 -4.603 -2.103 1.00 0.00 C ATOM 444 CD2 PHE A 27 -10.886 -5.884 -0.605 1.00 0.00 C ATOM 445 CE1 PHE A 27 -10.345 -5.002 -3.157 1.00 0.00 C ATOM 446 CE2 PHE A 27 -11.675 -6.288 -1.653 1.00 0.00 C ATOM 447 CZ PHE A 27 -11.405 -5.846 -2.933 1.00 0.00 C ATOM 0 H PHE A 27 -7.224 -2.498 0.700 1.00 0.00 H new ATOM 0 HA PHE A 27 -10.086 -2.762 0.194 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -7.923 -4.764 0.078 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -9.197 -5.203 1.198 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -8.725 -3.940 -2.282 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -11.103 -6.232 0.394 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -10.130 -4.654 -4.156 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -12.508 -6.952 -1.476 1.00 0.00 H new ATOM 0 HZ PHE A 27 -12.027 -6.164 -3.757 1.00 0.00 H new ATOM 457 N PRO A 28 -10.208 -1.913 2.538 1.00 0.00 N ATOM 458 CA PRO A 28 -10.615 -1.742 3.915 1.00 0.00 C ATOM 459 C PRO A 28 -11.441 -2.944 4.315 1.00 0.00 C ATOM 460 O PRO A 28 -12.595 -3.106 3.900 1.00 0.00 O ATOM 461 CB PRO A 28 -11.451 -0.468 3.912 1.00 0.00 C ATOM 462 CG PRO A 28 -11.882 -0.298 2.495 1.00 0.00 C ATOM 463 CD PRO A 28 -10.781 -0.870 1.662 1.00 0.00 C ATOM 0 HA PRO A 28 -9.786 -1.664 4.618 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -12.309 -0.556 4.578 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -10.869 0.388 4.254 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -12.823 -0.816 2.308 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -12.044 0.754 2.259 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -11.157 -1.289 0.729 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -10.041 -0.115 1.397 1.00 0.00 H new ATOM 471 N THR A 29 -10.822 -3.783 5.063 1.00 0.00 N ATOM 472 CA THR A 29 -11.312 -5.071 5.367 1.00 0.00 C ATOM 473 C THR A 29 -12.682 -5.184 6.002 1.00 0.00 C ATOM 474 O THR A 29 -12.928 -4.695 7.107 1.00 0.00 O ATOM 475 CB THR A 29 -10.271 -5.864 6.095 1.00 0.00 C ATOM 476 OG1 THR A 29 -9.466 -4.971 6.911 1.00 0.00 O ATOM 477 CG2 THR A 29 -9.425 -6.537 5.083 1.00 0.00 C ATOM 0 H THR A 29 -9.922 -3.579 5.497 1.00 0.00 H new ATOM 0 HA THR A 29 -11.507 -5.509 4.388 1.00 0.00 H new ATOM 0 HB THR A 29 -10.733 -6.605 6.748 1.00 0.00 H new ATOM 0 HG1 THR A 29 -8.533 -5.006 6.612 1.00 0.00 H new ATOM 0 HG21 THR A 29 -8.655 -7.124 5.584 1.00 0.00 H new ATOM 0 HG22 THR A 29 -10.043 -7.195 4.472 1.00 0.00 H new ATOM 0 HG23 THR A 29 -8.953 -5.788 4.447 1.00 0.00 H new ATOM 485 N PRO A 30 -13.606 -5.849 5.281 1.00 0.00 N ATOM 486 CA PRO A 30 -14.927 -6.135 5.789 1.00 0.00 C ATOM 487 C PRO A 30 -14.886 -7.344 6.712 1.00 0.00 C ATOM 488 O PRO A 30 -15.779 -7.560 7.531 1.00 0.00 O ATOM 489 CB PRO A 30 -15.731 -6.450 4.526 1.00 0.00 C ATOM 490 CG PRO A 30 -14.732 -7.014 3.580 1.00 0.00 C ATOM 491 CD PRO A 30 -13.439 -6.313 3.871 1.00 0.00 C ATOM 0 HA PRO A 30 -15.351 -5.317 6.371 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -16.530 -7.163 4.731 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -16.200 -5.554 4.120 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -14.631 -8.091 3.717 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -15.039 -6.852 2.547 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -12.586 -6.984 3.767 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -13.273 -5.478 3.190 1.00 0.00 H new ATOM 499 N ASP A 31 -13.823 -8.115 6.560 1.00 0.00 N ATOM 500 CA ASP A 31 -13.560 -9.316 7.304 1.00 0.00 C ATOM 501 C ASP A 31 -12.090 -9.497 7.222 1.00 0.00 C ATOM 502 O ASP A 31 -11.503 -9.175 6.186 1.00 0.00 O ATOM 503 CB ASP A 31 -14.193 -10.589 6.658 1.00 0.00 C ATOM 504 CG ASP A 31 -15.701 -10.606 6.539 1.00 0.00 C ATOM 505 OD1 ASP A 31 -16.393 -10.858 7.544 1.00 0.00 O ATOM 506 OD2 ASP A 31 -16.222 -10.423 5.421 1.00 0.00 O ATOM 0 H ASP A 31 -13.092 -7.903 5.881 1.00 0.00 H new ATOM 0 HA ASP A 31 -13.970 -9.213 8.309 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -13.771 -10.712 5.661 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -13.887 -11.457 7.243 1.00 0.00 H new ATOM 511 N PRO A 32 -11.441 -9.999 8.263 1.00 0.00 N ATOM 512 CA PRO A 32 -10.022 -10.299 8.190 1.00 0.00 C ATOM 513 C PRO A 32 -9.790 -11.543 7.334 1.00 0.00 C ATOM 514 O PRO A 32 -8.682 -11.829 6.893 1.00 0.00 O ATOM 515 CB PRO A 32 -9.604 -10.533 9.635 1.00 0.00 C ATOM 516 CG PRO A 32 -10.860 -10.890 10.361 1.00 0.00 C ATOM 517 CD PRO A 32 -12.005 -10.265 9.603 1.00 0.00 C ATOM 0 HA PRO A 32 -9.443 -9.499 7.728 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -8.868 -11.334 9.706 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -9.145 -9.640 10.060 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -10.979 -11.972 10.415 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -10.830 -10.521 11.386 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -12.862 -10.936 9.550 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -12.348 -9.348 10.082 1.00 0.00 H new ATOM 525 N ALA A 33 -10.871 -12.241 7.051 1.00 0.00 N ATOM 526 CA ALA A 33 -10.830 -13.406 6.219 1.00 0.00 C ATOM 527 C ALA A 33 -10.643 -13.027 4.754 1.00 0.00 C ATOM 528 O ALA A 33 -10.307 -13.870 3.931 1.00 0.00 O ATOM 529 CB ALA A 33 -12.060 -14.258 6.410 1.00 0.00 C ATOM 0 H ALA A 33 -11.802 -12.008 7.397 1.00 0.00 H new ATOM 0 HA ALA A 33 -9.968 -14.000 6.522 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -11.999 -15.135 5.765 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -12.124 -14.577 7.450 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -12.947 -13.679 6.153 1.00 0.00 H new ATOM 535 N ALA A 34 -10.832 -11.742 4.438 1.00 0.00 N ATOM 536 CA ALA A 34 -10.598 -11.244 3.090 1.00 0.00 C ATOM 537 C ALA A 34 -9.096 -11.257 2.791 1.00 0.00 C ATOM 538 O ALA A 34 -8.667 -11.342 1.641 1.00 0.00 O ATOM 539 CB ALA A 34 -11.164 -9.835 2.937 1.00 0.00 C ATOM 0 H ALA A 34 -11.146 -11.033 5.101 1.00 0.00 H new ATOM 0 HA ALA A 34 -11.106 -11.892 2.376 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -10.981 -9.477 1.924 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -12.237 -9.851 3.128 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -10.679 -9.169 3.650 1.00 0.00 H new ATOM 545 N LEU A 35 -8.312 -11.258 3.860 1.00 0.00 N ATOM 546 CA LEU A 35 -6.854 -11.234 3.789 1.00 0.00 C ATOM 547 C LEU A 35 -6.323 -12.676 3.731 1.00 0.00 C ATOM 548 O LEU A 35 -5.135 -12.920 3.822 1.00 0.00 O ATOM 549 CB LEU A 35 -6.319 -10.539 5.042 1.00 0.00 C ATOM 550 CG LEU A 35 -7.011 -9.233 5.403 1.00 0.00 C ATOM 551 CD1 LEU A 35 -7.026 -9.040 6.907 1.00 0.00 C ATOM 552 CD2 LEU A 35 -6.305 -8.080 4.738 1.00 0.00 C ATOM 0 H LEU A 35 -8.673 -11.276 4.814 1.00 0.00 H new ATOM 0 HA LEU A 35 -6.528 -10.698 2.898 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -6.409 -11.224 5.885 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -5.256 -10.342 4.903 1.00 0.00 H new ATOM 0 HG LEU A 35 -8.041 -9.272 5.050 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -7.524 -8.101 7.148 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -7.562 -9.866 7.375 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -6.002 -9.014 7.281 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -6.805 -7.147 5.000 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -5.269 -8.044 5.076 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -6.329 -8.213 3.656 1.00 0.00 H new ATOM 564 N LYS A 36 -7.226 -13.626 3.711 1.00 0.00 N ATOM 565 CA LYS A 36 -6.874 -15.030 3.524 1.00 0.00 C ATOM 566 C LYS A 36 -7.841 -15.692 2.532 1.00 0.00 C ATOM 567 O LYS A 36 -7.970 -16.919 2.477 1.00 0.00 O ATOM 568 CB LYS A 36 -6.841 -15.758 4.868 1.00 0.00 C ATOM 569 CG LYS A 36 -8.078 -15.512 5.693 1.00 0.00 C ATOM 570 CD LYS A 36 -8.054 -16.222 7.039 1.00 0.00 C ATOM 571 CE LYS A 36 -6.909 -15.750 7.922 1.00 0.00 C ATOM 572 NZ LYS A 36 -6.958 -16.385 9.250 1.00 0.00 N ATOM 0 H LYS A 36 -8.226 -13.458 3.823 1.00 0.00 H new ATOM 0 HA LYS A 36 -5.873 -15.094 3.098 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -6.732 -16.829 4.694 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -5.964 -15.436 5.430 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -8.190 -14.440 5.857 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -8.952 -15.841 5.132 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -9.000 -16.052 7.553 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -7.967 -17.297 6.879 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -5.958 -15.980 7.442 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -6.956 -14.667 8.033 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -6.164 -16.042 9.828 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -7.856 -16.144 9.717 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -6.889 -17.417 9.144 1.00 0.00 H new ATOM 586 N ASP A 37 -8.511 -14.864 1.762 1.00 0.00 N ATOM 587 CA ASP A 37 -9.530 -15.305 0.813 1.00 0.00 C ATOM 588 C ASP A 37 -8.846 -15.615 -0.508 1.00 0.00 C ATOM 589 O ASP A 37 -7.626 -15.460 -0.611 1.00 0.00 O ATOM 590 CB ASP A 37 -10.519 -14.148 0.621 1.00 0.00 C ATOM 591 CG ASP A 37 -11.774 -14.512 -0.108 1.00 0.00 C ATOM 592 OD1 ASP A 37 -12.690 -15.065 0.514 1.00 0.00 O ATOM 593 OD2 ASP A 37 -11.863 -14.258 -1.318 1.00 0.00 O ATOM 0 H ASP A 37 -8.368 -13.854 1.771 1.00 0.00 H new ATOM 0 HA ASP A 37 -10.053 -16.191 1.172 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -10.786 -13.750 1.600 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -10.019 -13.347 0.077 1.00 0.00 H new ATOM 598 N ARG A 38 -9.588 -16.023 -1.523 1.00 0.00 N ATOM 599 CA ARG A 38 -8.976 -16.220 -2.825 1.00 0.00 C ATOM 600 C ARG A 38 -8.635 -14.843 -3.382 1.00 0.00 C ATOM 601 O ARG A 38 -7.664 -14.664 -4.099 1.00 0.00 O ATOM 602 CB ARG A 38 -9.886 -17.002 -3.810 1.00 0.00 C ATOM 603 CG ARG A 38 -10.767 -16.149 -4.741 1.00 0.00 C ATOM 604 CD ARG A 38 -11.988 -15.587 -4.055 1.00 0.00 C ATOM 605 NE ARG A 38 -13.077 -16.554 -4.020 1.00 0.00 N ATOM 606 CZ ARG A 38 -14.111 -16.512 -3.198 1.00 0.00 C ATOM 607 NH1 ARG A 38 -14.069 -15.764 -2.110 1.00 0.00 N ATOM 608 NH2 ARG A 38 -15.167 -17.267 -3.440 1.00 0.00 N ATOM 0 H ARG A 38 -10.588 -16.220 -1.475 1.00 0.00 H new ATOM 0 HA ARG A 38 -8.081 -16.831 -2.707 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -9.254 -17.642 -4.426 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -10.535 -17.658 -3.230 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -10.173 -15.327 -5.141 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -11.082 -16.757 -5.589 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -11.731 -15.291 -3.038 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -12.316 -14.687 -4.575 1.00 0.00 H new ATOM 0 HE ARG A 38 -13.038 -17.327 -4.684 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -13.235 -15.215 -1.901 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -14.870 -15.736 -1.479 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -15.181 -17.877 -4.257 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -15.969 -17.240 -2.810 1.00 0.00 H new ATOM 622 N ARG A 39 -9.428 -13.850 -2.950 1.00 0.00 N ATOM 623 CA ARG A 39 -9.261 -12.476 -3.365 1.00 0.00 C ATOM 624 C ARG A 39 -7.928 -11.946 -2.837 1.00 0.00 C ATOM 625 O ARG A 39 -7.338 -11.027 -3.402 1.00 0.00 O ATOM 626 CB ARG A 39 -10.418 -11.624 -2.833 1.00 0.00 C ATOM 627 CG ARG A 39 -10.494 -10.236 -3.441 1.00 0.00 C ATOM 628 CD ARG A 39 -11.572 -9.387 -2.801 1.00 0.00 C ATOM 629 NE ARG A 39 -12.905 -10.004 -2.811 1.00 0.00 N ATOM 630 CZ ARG A 39 -14.058 -9.322 -2.905 1.00 0.00 C ATOM 631 NH1 ARG A 39 -14.077 -8.090 -3.393 1.00 0.00 N ATOM 632 NH2 ARG A 39 -15.206 -9.914 -2.611 1.00 0.00 N ATOM 0 H ARG A 39 -10.202 -13.993 -2.301 1.00 0.00 H new ATOM 0 HA ARG A 39 -9.262 -12.423 -4.454 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -11.356 -12.145 -3.024 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -10.319 -11.531 -1.751 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -9.530 -9.740 -3.330 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -10.688 -10.320 -4.510 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -11.289 -9.176 -1.770 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -11.622 -8.430 -3.320 1.00 0.00 H new ATOM 0 HE ARG A 39 -12.959 -11.020 -2.742 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -13.210 -7.650 -3.702 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -14.959 -7.581 -3.460 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -15.215 -10.889 -2.313 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -16.081 -9.394 -2.683 1.00 0.00 H new ATOM 646 N MET A 40 -7.437 -12.579 -1.774 1.00 0.00 N ATOM 647 CA MET A 40 -6.177 -12.218 -1.160 1.00 0.00 C ATOM 648 C MET A 40 -5.023 -12.413 -2.118 1.00 0.00 C ATOM 649 O MET A 40 -4.157 -11.564 -2.176 1.00 0.00 O ATOM 650 CB MET A 40 -5.922 -13.007 0.152 1.00 0.00 C ATOM 651 CG MET A 40 -4.448 -13.034 0.643 1.00 0.00 C ATOM 652 SD MET A 40 -3.842 -11.583 1.581 1.00 0.00 S ATOM 653 CE MET A 40 -4.658 -10.205 0.832 1.00 0.00 C ATOM 0 H MET A 40 -7.910 -13.359 -1.318 1.00 0.00 H new ATOM 0 HA MET A 40 -6.245 -11.160 -0.907 1.00 0.00 H new ATOM 0 HB2 MET A 40 -6.541 -12.577 0.940 1.00 0.00 H new ATOM 0 HB3 MET A 40 -6.257 -14.034 0.008 1.00 0.00 H new ATOM 0 HG2 MET A 40 -4.318 -13.917 1.269 1.00 0.00 H new ATOM 0 HG3 MET A 40 -3.806 -13.163 -0.228 1.00 0.00 H new ATOM 0 HE1 MET A 40 -4.300 -9.280 1.285 1.00 0.00 H new ATOM 0 HE2 MET A 40 -4.444 -10.192 -0.237 1.00 0.00 H new ATOM 0 HE3 MET A 40 -5.734 -10.292 0.986 1.00 0.00 H new ATOM 663 N GLU A 41 -5.024 -13.500 -2.899 1.00 0.00 N ATOM 664 CA GLU A 41 -3.908 -13.725 -3.807 1.00 0.00 C ATOM 665 C GLU A 41 -3.886 -12.638 -4.861 1.00 0.00 C ATOM 666 O GLU A 41 -2.850 -12.137 -5.203 1.00 0.00 O ATOM 667 CB GLU A 41 -3.923 -15.116 -4.457 1.00 0.00 C ATOM 668 CG GLU A 41 -4.972 -15.325 -5.518 1.00 0.00 C ATOM 669 CD GLU A 41 -4.942 -16.707 -6.076 1.00 0.00 C ATOM 670 OE1 GLU A 41 -4.082 -17.000 -6.916 1.00 0.00 O ATOM 671 OE2 GLU A 41 -5.781 -17.539 -5.688 1.00 0.00 O ATOM 0 H GLU A 41 -5.757 -14.209 -2.919 1.00 0.00 H new ATOM 0 HA GLU A 41 -2.995 -13.685 -3.213 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -2.944 -15.303 -4.897 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -4.068 -15.862 -3.675 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -5.957 -15.127 -5.096 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -4.820 -14.607 -6.323 1.00 0.00 H new ATOM 678 N ASN A 42 -5.070 -12.227 -5.285 1.00 0.00 N ATOM 679 CA ASN A 42 -5.242 -11.179 -6.274 1.00 0.00 C ATOM 680 C ASN A 42 -4.727 -9.854 -5.740 1.00 0.00 C ATOM 681 O ASN A 42 -4.012 -9.119 -6.427 1.00 0.00 O ATOM 682 CB ASN A 42 -6.733 -11.083 -6.654 1.00 0.00 C ATOM 683 CG ASN A 42 -7.114 -9.802 -7.380 1.00 0.00 C ATOM 684 OD1 ASN A 42 -7.003 -9.703 -8.595 1.00 0.00 O ATOM 685 ND2 ASN A 42 -7.635 -8.842 -6.646 1.00 0.00 N ATOM 0 H ASN A 42 -5.949 -12.618 -4.947 1.00 0.00 H new ATOM 0 HA ASN A 42 -4.664 -11.420 -7.166 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -6.990 -11.934 -7.284 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -7.333 -11.165 -5.747 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -7.961 -7.982 -7.088 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -7.713 -8.958 -5.636 1.00 0.00 H new ATOM 692 N LEU A 43 -5.063 -9.587 -4.506 1.00 0.00 N ATOM 693 CA LEU A 43 -4.693 -8.362 -3.830 1.00 0.00 C ATOM 694 C LEU A 43 -3.228 -8.326 -3.480 1.00 0.00 C ATOM 695 O LEU A 43 -2.572 -7.315 -3.681 1.00 0.00 O ATOM 696 CB LEU A 43 -5.548 -8.193 -2.594 1.00 0.00 C ATOM 697 CG LEU A 43 -7.028 -8.020 -2.867 1.00 0.00 C ATOM 698 CD1 LEU A 43 -7.816 -8.034 -1.578 1.00 0.00 C ATOM 699 CD2 LEU A 43 -7.254 -6.735 -3.610 1.00 0.00 C ATOM 0 H LEU A 43 -5.612 -10.223 -3.928 1.00 0.00 H new ATOM 0 HA LEU A 43 -4.870 -7.530 -4.512 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -5.410 -9.063 -1.952 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -5.191 -7.326 -2.038 1.00 0.00 H new ATOM 0 HG LEU A 43 -7.375 -8.853 -3.479 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -8.876 -7.908 -1.798 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -7.662 -8.985 -1.068 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -7.479 -7.219 -0.937 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -8.319 -6.611 -3.806 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -6.896 -5.899 -3.009 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -6.711 -6.761 -4.555 1.00 0.00 H new ATOM 711 N VAL A 44 -2.704 -9.420 -2.982 1.00 0.00 N ATOM 712 CA VAL A 44 -1.323 -9.452 -2.612 1.00 0.00 C ATOM 713 C VAL A 44 -0.454 -9.494 -3.863 1.00 0.00 C ATOM 714 O VAL A 44 0.578 -8.879 -3.890 1.00 0.00 O ATOM 715 CB VAL A 44 -0.968 -10.588 -1.597 1.00 0.00 C ATOM 716 CG1 VAL A 44 -0.883 -11.964 -2.233 1.00 0.00 C ATOM 717 CG2 VAL A 44 0.280 -10.243 -0.796 1.00 0.00 C ATOM 0 H VAL A 44 -3.214 -10.290 -2.827 1.00 0.00 H new ATOM 0 HA VAL A 44 -1.111 -8.531 -2.069 1.00 0.00 H new ATOM 0 HB VAL A 44 -1.803 -10.648 -0.899 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -0.633 -12.702 -1.471 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -1.843 -12.217 -2.683 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -0.111 -11.962 -3.003 1.00 0.00 H new ATOM 0 HG21 VAL A 44 0.501 -11.052 -0.100 1.00 0.00 H new ATOM 0 HG22 VAL A 44 1.122 -10.109 -1.475 1.00 0.00 H new ATOM 0 HG23 VAL A 44 0.112 -9.321 -0.240 1.00 0.00 H new ATOM 727 N ALA A 45 -0.924 -10.170 -4.928 1.00 0.00 N ATOM 728 CA ALA A 45 -0.209 -10.193 -6.207 1.00 0.00 C ATOM 729 C ALA A 45 -0.126 -8.778 -6.755 1.00 0.00 C ATOM 730 O ALA A 45 0.906 -8.360 -7.287 1.00 0.00 O ATOM 731 CB ALA A 45 -0.898 -11.114 -7.215 1.00 0.00 C ATOM 0 H ALA A 45 -1.793 -10.704 -4.923 1.00 0.00 H new ATOM 0 HA ALA A 45 0.795 -10.584 -6.040 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -0.342 -11.108 -8.153 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -0.929 -12.129 -6.818 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -1.914 -10.763 -7.393 1.00 0.00 H new ATOM 737 N TYR A 46 -1.219 -8.047 -6.599 1.00 0.00 N ATOM 738 CA TYR A 46 -1.285 -6.633 -6.935 1.00 0.00 C ATOM 739 C TYR A 46 -0.294 -5.856 -6.086 1.00 0.00 C ATOM 740 O TYR A 46 0.473 -5.080 -6.602 1.00 0.00 O ATOM 741 CB TYR A 46 -2.734 -6.104 -6.724 1.00 0.00 C ATOM 742 CG TYR A 46 -2.854 -4.607 -6.424 1.00 0.00 C ATOM 743 CD1 TYR A 46 -2.939 -3.670 -7.425 1.00 0.00 C ATOM 744 CD2 TYR A 46 -2.870 -4.150 -5.104 1.00 0.00 C ATOM 745 CE1 TYR A 46 -3.035 -2.324 -7.125 1.00 0.00 C ATOM 746 CE2 TYR A 46 -2.967 -2.809 -4.804 1.00 0.00 C ATOM 747 CZ TYR A 46 -3.050 -1.900 -5.821 1.00 0.00 C ATOM 748 OH TYR A 46 -3.145 -0.546 -5.544 1.00 0.00 O ATOM 0 H TYR A 46 -2.094 -8.422 -6.232 1.00 0.00 H new ATOM 0 HA TYR A 46 -1.021 -6.496 -7.984 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -3.316 -6.325 -7.619 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -3.188 -6.659 -5.903 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -2.931 -3.988 -8.457 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -2.805 -4.866 -4.298 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -3.099 -1.600 -7.924 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -2.977 -2.479 -3.776 1.00 0.00 H new ATOM 0 HH TYR A 46 -3.144 -0.410 -4.574 1.00 0.00 H new ATOM 758 N ALA A 47 -0.306 -6.092 -4.799 1.00 0.00 N ATOM 759 CA ALA A 47 0.564 -5.385 -3.888 1.00 0.00 C ATOM 760 C ALA A 47 2.028 -5.647 -4.223 1.00 0.00 C ATOM 761 O ALA A 47 2.828 -4.739 -4.250 1.00 0.00 O ATOM 762 CB ALA A 47 0.241 -5.762 -2.458 1.00 0.00 C ATOM 0 H ALA A 47 -0.916 -6.777 -4.352 1.00 0.00 H new ATOM 0 HA ALA A 47 0.394 -4.314 -3.999 1.00 0.00 H new ATOM 0 HB1 ALA A 47 0.903 -5.223 -1.781 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -0.794 -5.501 -2.238 1.00 0.00 H new ATOM 0 HB3 ALA A 47 0.381 -6.835 -2.324 1.00 0.00 H new ATOM 768 N LYS A 48 2.332 -6.883 -4.544 1.00 0.00 N ATOM 769 CA LYS A 48 3.675 -7.304 -4.916 1.00 0.00 C ATOM 770 C LYS A 48 4.110 -6.695 -6.234 1.00 0.00 C ATOM 771 O LYS A 48 5.244 -6.213 -6.359 1.00 0.00 O ATOM 772 CB LYS A 48 3.718 -8.806 -5.040 1.00 0.00 C ATOM 773 CG LYS A 48 3.456 -9.531 -3.740 1.00 0.00 C ATOM 774 CD LYS A 48 3.402 -11.018 -3.949 1.00 0.00 C ATOM 775 CE LYS A 48 3.109 -11.741 -2.653 1.00 0.00 C ATOM 776 NZ LYS A 48 3.214 -13.205 -2.793 1.00 0.00 N ATOM 0 H LYS A 48 1.648 -7.640 -4.556 1.00 0.00 H new ATOM 0 HA LYS A 48 4.355 -6.962 -4.136 1.00 0.00 H new ATOM 0 HB2 LYS A 48 2.980 -9.122 -5.777 1.00 0.00 H new ATOM 0 HB3 LYS A 48 4.696 -9.102 -5.420 1.00 0.00 H new ATOM 0 HG2 LYS A 48 4.240 -9.290 -3.022 1.00 0.00 H new ATOM 0 HG3 LYS A 48 2.515 -9.187 -3.312 1.00 0.00 H new ATOM 0 HD2 LYS A 48 2.633 -11.257 -4.684 1.00 0.00 H new ATOM 0 HD3 LYS A 48 4.351 -11.366 -4.356 1.00 0.00 H new ATOM 0 HE2 LYS A 48 3.803 -11.401 -1.885 1.00 0.00 H new ATOM 0 HE3 LYS A 48 2.106 -11.482 -2.314 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 3.005 -13.657 -1.880 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 2.533 -13.535 -3.507 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 4.178 -13.457 -3.091 1.00 0.00 H new ATOM 790 N LYS A 49 3.217 -6.723 -7.219 1.00 0.00 N ATOM 791 CA LYS A 49 3.525 -6.193 -8.538 1.00 0.00 C ATOM 792 C LYS A 49 3.754 -4.689 -8.429 1.00 0.00 C ATOM 793 O LYS A 49 4.688 -4.145 -9.013 1.00 0.00 O ATOM 794 CB LYS A 49 2.397 -6.524 -9.561 1.00 0.00 C ATOM 795 CG LYS A 49 1.138 -5.744 -9.428 1.00 0.00 C ATOM 796 CD LYS A 49 0.122 -6.161 -10.466 1.00 0.00 C ATOM 797 CE LYS A 49 -0.964 -5.113 -10.633 1.00 0.00 C ATOM 798 NZ LYS A 49 -0.456 -3.849 -11.255 1.00 0.00 N ATOM 0 H LYS A 49 2.277 -7.107 -7.126 1.00 0.00 H new ATOM 0 HA LYS A 49 4.434 -6.666 -8.910 1.00 0.00 H new ATOM 0 HB2 LYS A 49 2.790 -6.370 -10.566 1.00 0.00 H new ATOM 0 HB3 LYS A 49 2.155 -7.583 -9.472 1.00 0.00 H new ATOM 0 HG2 LYS A 49 0.722 -5.888 -8.431 1.00 0.00 H new ATOM 0 HG3 LYS A 49 1.353 -4.681 -9.533 1.00 0.00 H new ATOM 0 HD2 LYS A 49 0.622 -6.324 -11.421 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -0.328 -7.110 -10.175 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -1.765 -5.521 -11.250 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -1.397 -4.885 -9.659 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -0.801 -3.032 -10.712 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 0.584 -3.854 -11.251 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -0.798 -3.782 -12.235 1.00 0.00 H new ATOM 812 N VAL A 50 2.921 -4.058 -7.611 1.00 0.00 N ATOM 813 CA VAL A 50 2.979 -2.651 -7.338 1.00 0.00 C ATOM 814 C VAL A 50 4.277 -2.306 -6.620 1.00 0.00 C ATOM 815 O VAL A 50 5.019 -1.445 -7.073 1.00 0.00 O ATOM 816 CB VAL A 50 1.720 -2.215 -6.513 1.00 0.00 C ATOM 817 CG1 VAL A 50 1.894 -0.878 -5.841 1.00 0.00 C ATOM 818 CG2 VAL A 50 0.512 -2.154 -7.425 1.00 0.00 C ATOM 0 H VAL A 50 2.170 -4.535 -7.112 1.00 0.00 H new ATOM 0 HA VAL A 50 2.969 -2.097 -8.277 1.00 0.00 H new ATOM 0 HB VAL A 50 1.581 -2.960 -5.730 1.00 0.00 H new ATOM 0 HG11 VAL A 50 0.990 -0.630 -5.285 1.00 0.00 H new ATOM 0 HG12 VAL A 50 2.741 -0.923 -5.156 1.00 0.00 H new ATOM 0 HG13 VAL A 50 2.078 -0.113 -6.595 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -0.363 -1.851 -6.850 1.00 0.00 H new ATOM 0 HG22 VAL A 50 0.692 -1.430 -8.220 1.00 0.00 H new ATOM 0 HG23 VAL A 50 0.336 -3.137 -7.862 1.00 0.00 H new ATOM 828 N GLU A 51 4.553 -3.034 -5.547 1.00 0.00 N ATOM 829 CA GLU A 51 5.749 -2.861 -4.732 1.00 0.00 C ATOM 830 C GLU A 51 6.994 -2.948 -5.609 1.00 0.00 C ATOM 831 O GLU A 51 7.800 -2.038 -5.621 1.00 0.00 O ATOM 832 CB GLU A 51 5.741 -3.937 -3.624 1.00 0.00 C ATOM 833 CG GLU A 51 6.818 -3.858 -2.533 1.00 0.00 C ATOM 834 CD GLU A 51 8.186 -4.392 -2.942 1.00 0.00 C ATOM 835 OE1 GLU A 51 8.257 -5.374 -3.737 1.00 0.00 O ATOM 836 OE2 GLU A 51 9.202 -3.893 -2.439 1.00 0.00 O ATOM 0 H GLU A 51 3.940 -3.777 -5.211 1.00 0.00 H new ATOM 0 HA GLU A 51 5.760 -1.877 -4.262 1.00 0.00 H new ATOM 0 HB2 GLU A 51 4.768 -3.905 -3.135 1.00 0.00 H new ATOM 0 HB3 GLU A 51 5.824 -4.912 -4.105 1.00 0.00 H new ATOM 0 HG2 GLU A 51 6.927 -2.818 -2.225 1.00 0.00 H new ATOM 0 HG3 GLU A 51 6.473 -4.414 -1.661 1.00 0.00 H new ATOM 843 N GLY A 52 7.081 -4.008 -6.403 1.00 0.00 N ATOM 844 CA GLY A 52 8.228 -4.214 -7.274 1.00 0.00 C ATOM 845 C GLY A 52 8.379 -3.130 -8.329 1.00 0.00 C ATOM 846 O GLY A 52 9.498 -2.727 -8.656 1.00 0.00 O ATOM 0 H GLY A 52 6.370 -4.737 -6.461 1.00 0.00 H new ATOM 0 HA2 GLY A 52 9.134 -4.252 -6.669 1.00 0.00 H new ATOM 0 HA3 GLY A 52 8.133 -5.182 -7.767 1.00 0.00 H new ATOM 850 N ASP A 53 7.245 -2.650 -8.841 1.00 0.00 N ATOM 851 CA ASP A 53 7.206 -1.584 -9.863 1.00 0.00 C ATOM 852 C ASP A 53 7.900 -0.339 -9.305 1.00 0.00 C ATOM 853 O ASP A 53 8.878 0.163 -9.861 1.00 0.00 O ATOM 854 CB ASP A 53 5.726 -1.252 -10.198 1.00 0.00 C ATOM 855 CG ASP A 53 5.517 -0.296 -11.376 1.00 0.00 C ATOM 856 OD1 ASP A 53 6.006 0.859 -11.337 1.00 0.00 O ATOM 857 OD2 ASP A 53 4.792 -0.671 -12.337 1.00 0.00 O ATOM 0 H ASP A 53 6.322 -2.985 -8.563 1.00 0.00 H new ATOM 0 HA ASP A 53 7.716 -1.913 -10.769 1.00 0.00 H new ATOM 0 HB2 ASP A 53 5.202 -2.184 -10.411 1.00 0.00 H new ATOM 0 HB3 ASP A 53 5.259 -0.819 -9.313 1.00 0.00 H new ATOM 862 N MET A 54 7.434 0.082 -8.157 1.00 0.00 N ATOM 863 CA MET A 54 7.948 1.279 -7.488 1.00 0.00 C ATOM 864 C MET A 54 9.308 1.079 -6.852 1.00 0.00 C ATOM 865 O MET A 54 10.082 2.025 -6.745 1.00 0.00 O ATOM 866 CB MET A 54 6.928 1.870 -6.520 1.00 0.00 C ATOM 867 CG MET A 54 6.244 0.899 -5.623 1.00 0.00 C ATOM 868 SD MET A 54 4.530 1.394 -5.306 1.00 0.00 S ATOM 869 CE MET A 54 3.922 1.649 -6.983 1.00 0.00 C ATOM 0 H MET A 54 6.685 -0.388 -7.648 1.00 0.00 H new ATOM 0 HA MET A 54 8.108 2.018 -8.273 1.00 0.00 H new ATOM 0 HB2 MET A 54 7.431 2.614 -5.902 1.00 0.00 H new ATOM 0 HB3 MET A 54 6.169 2.397 -7.099 1.00 0.00 H new ATOM 0 HG2 MET A 54 6.261 -0.092 -6.076 1.00 0.00 H new ATOM 0 HG3 MET A 54 6.785 0.828 -4.679 1.00 0.00 H new ATOM 0 HE1 MET A 54 2.832 1.623 -6.983 1.00 0.00 H new ATOM 0 HE2 MET A 54 4.262 2.617 -7.350 1.00 0.00 H new ATOM 0 HE3 MET A 54 4.303 0.861 -7.632 1.00 0.00 H new ATOM 879 N TYR A 55 9.593 -0.141 -6.457 1.00 0.00 N ATOM 880 CA TYR A 55 10.895 -0.522 -5.926 1.00 0.00 C ATOM 881 C TYR A 55 11.949 -0.233 -6.992 1.00 0.00 C ATOM 882 O TYR A 55 12.890 0.511 -6.770 1.00 0.00 O ATOM 883 CB TYR A 55 10.848 -2.025 -5.588 1.00 0.00 C ATOM 884 CG TYR A 55 12.097 -2.648 -5.017 1.00 0.00 C ATOM 885 CD1 TYR A 55 12.345 -2.641 -3.650 1.00 0.00 C ATOM 886 CD2 TYR A 55 13.001 -3.286 -5.844 1.00 0.00 C ATOM 887 CE1 TYR A 55 13.469 -3.259 -3.132 1.00 0.00 C ATOM 888 CE2 TYR A 55 14.120 -3.892 -5.340 1.00 0.00 C ATOM 889 CZ TYR A 55 14.356 -3.881 -3.986 1.00 0.00 C ATOM 890 OH TYR A 55 15.477 -4.517 -3.482 1.00 0.00 O ATOM 0 H TYR A 55 8.924 -0.910 -6.493 1.00 0.00 H new ATOM 0 HA TYR A 55 11.145 0.038 -5.025 1.00 0.00 H new ATOM 0 HB2 TYR A 55 10.037 -2.185 -4.878 1.00 0.00 H new ATOM 0 HB3 TYR A 55 10.587 -2.567 -6.497 1.00 0.00 H new ATOM 0 HD1 TYR A 55 11.652 -2.148 -2.984 1.00 0.00 H new ATOM 0 HD2 TYR A 55 12.821 -3.307 -6.909 1.00 0.00 H new ATOM 0 HE1 TYR A 55 13.651 -3.255 -2.067 1.00 0.00 H new ATOM 0 HE2 TYR A 55 14.817 -4.379 -6.006 1.00 0.00 H new ATOM 0 HH TYR A 55 15.993 -4.903 -4.220 1.00 0.00 H new ATOM 900 N GLU A 56 11.709 -0.750 -8.178 1.00 0.00 N ATOM 901 CA GLU A 56 12.616 -0.574 -9.301 1.00 0.00 C ATOM 902 C GLU A 56 12.588 0.859 -9.847 1.00 0.00 C ATOM 903 O GLU A 56 13.581 1.344 -10.389 1.00 0.00 O ATOM 904 CB GLU A 56 12.284 -1.583 -10.395 1.00 0.00 C ATOM 905 CG GLU A 56 12.662 -3.011 -10.053 1.00 0.00 C ATOM 906 CD GLU A 56 14.153 -3.212 -10.073 1.00 0.00 C ATOM 907 OE1 GLU A 56 14.848 -2.798 -9.142 1.00 0.00 O ATOM 908 OE2 GLU A 56 14.668 -3.775 -11.057 1.00 0.00 O ATOM 0 H GLU A 56 10.881 -1.305 -8.395 1.00 0.00 H new ATOM 0 HA GLU A 56 13.631 -0.753 -8.945 1.00 0.00 H new ATOM 0 HB2 GLU A 56 11.215 -1.541 -10.601 1.00 0.00 H new ATOM 0 HB3 GLU A 56 12.797 -1.292 -11.311 1.00 0.00 H new ATOM 0 HG2 GLU A 56 12.274 -3.264 -9.066 1.00 0.00 H new ATOM 0 HG3 GLU A 56 12.193 -3.692 -10.764 1.00 0.00 H new ATOM 915 N SER A 57 11.467 1.527 -9.687 1.00 0.00 N ATOM 916 CA SER A 57 11.292 2.888 -10.164 1.00 0.00 C ATOM 917 C SER A 57 12.101 3.899 -9.315 1.00 0.00 C ATOM 918 O SER A 57 12.431 4.993 -9.791 1.00 0.00 O ATOM 919 CB SER A 57 9.790 3.245 -10.145 1.00 0.00 C ATOM 920 OG SER A 57 9.514 4.503 -10.755 1.00 0.00 O ATOM 0 H SER A 57 10.645 1.143 -9.221 1.00 0.00 H new ATOM 0 HA SER A 57 11.671 2.948 -11.184 1.00 0.00 H new ATOM 0 HB2 SER A 57 9.229 2.465 -10.661 1.00 0.00 H new ATOM 0 HB3 SER A 57 9.438 3.261 -9.114 1.00 0.00 H new ATOM 0 HG SER A 57 8.551 4.680 -10.718 1.00 0.00 H new ATOM 926 N ALA A 58 12.427 3.534 -8.092 1.00 0.00 N ATOM 927 CA ALA A 58 13.117 4.424 -7.198 1.00 0.00 C ATOM 928 C ALA A 58 14.614 4.182 -7.187 1.00 0.00 C ATOM 929 O ALA A 58 15.106 3.185 -7.710 1.00 0.00 O ATOM 930 CB ALA A 58 12.565 4.282 -5.805 1.00 0.00 C ATOM 0 H ALA A 58 12.220 2.617 -7.697 1.00 0.00 H new ATOM 0 HA ALA A 58 12.954 5.439 -7.560 1.00 0.00 H new ATOM 0 HB1 ALA A 58 13.093 4.959 -5.134 1.00 0.00 H new ATOM 0 HB2 ALA A 58 11.503 4.528 -5.808 1.00 0.00 H new ATOM 0 HB3 ALA A 58 12.699 3.256 -5.464 1.00 0.00 H new ATOM 936 N ASN A 59 15.329 5.108 -6.582 1.00 0.00 N ATOM 937 CA ASN A 59 16.784 5.019 -6.453 1.00 0.00 C ATOM 938 C ASN A 59 17.165 5.040 -4.979 1.00 0.00 C ATOM 939 O ASN A 59 18.324 5.221 -4.619 1.00 0.00 O ATOM 940 CB ASN A 59 17.483 6.179 -7.193 1.00 0.00 C ATOM 941 CG ASN A 59 17.167 7.547 -6.606 1.00 0.00 C ATOM 942 OD1 ASN A 59 17.846 8.019 -5.695 1.00 0.00 O ATOM 943 ND2 ASN A 59 16.177 8.203 -7.140 1.00 0.00 N ATOM 0 H ASN A 59 14.926 5.946 -6.163 1.00 0.00 H new ATOM 0 HA ASN A 59 17.113 4.084 -6.906 1.00 0.00 H new ATOM 0 HB2 ASN A 59 18.561 6.020 -7.166 1.00 0.00 H new ATOM 0 HB3 ASN A 59 17.185 6.164 -8.241 1.00 0.00 H new ATOM 0 HD21 ASN A 59 15.944 9.138 -6.804 1.00 0.00 H new ATOM 0 HD22 ASN A 59 15.634 7.782 -7.894 1.00 0.00 H new ATOM 950 N SER A 60 16.185 4.846 -4.134 1.00 0.00 N ATOM 951 CA SER A 60 16.381 4.772 -2.702 1.00 0.00 C ATOM 952 C SER A 60 15.236 4.007 -2.140 1.00 0.00 C ATOM 953 O SER A 60 14.146 4.037 -2.718 1.00 0.00 O ATOM 954 CB SER A 60 16.356 6.147 -2.059 1.00 0.00 C ATOM 955 OG SER A 60 17.276 7.051 -2.651 1.00 0.00 O ATOM 0 H SER A 60 15.213 4.733 -4.422 1.00 0.00 H new ATOM 0 HA SER A 60 17.347 4.308 -2.505 1.00 0.00 H new ATOM 0 HB2 SER A 60 15.350 6.559 -2.134 1.00 0.00 H new ATOM 0 HB3 SER A 60 16.582 6.050 -0.997 1.00 0.00 H new ATOM 0 HG SER A 60 17.217 7.919 -2.201 1.00 0.00 H new ATOM 961 N ARG A 61 15.436 3.327 -1.033 1.00 0.00 N ATOM 962 CA ARG A 61 14.323 2.621 -0.441 1.00 0.00 C ATOM 963 C ARG A 61 13.364 3.586 0.193 1.00 0.00 C ATOM 964 O ARG A 61 12.202 3.399 0.118 1.00 0.00 O ATOM 965 CB ARG A 61 14.702 1.505 0.532 1.00 0.00 C ATOM 966 CG ARG A 61 15.175 1.910 1.916 1.00 0.00 C ATOM 967 CD ARG A 61 16.459 2.628 1.882 1.00 0.00 C ATOM 968 NE ARG A 61 16.977 2.798 3.240 1.00 0.00 N ATOM 969 CZ ARG A 61 18.173 3.275 3.594 1.00 0.00 C ATOM 970 NH1 ARG A 61 19.037 3.713 2.689 1.00 0.00 N ATOM 971 NH2 ARG A 61 18.494 3.314 4.867 1.00 0.00 N ATOM 0 H ARG A 61 16.325 3.248 -0.539 1.00 0.00 H new ATOM 0 HA ARG A 61 13.838 2.108 -1.271 1.00 0.00 H new ATOM 0 HB2 ARG A 61 13.836 0.854 0.650 1.00 0.00 H new ATOM 0 HB3 ARG A 61 15.488 0.909 0.069 1.00 0.00 H new ATOM 0 HG2 ARG A 61 14.421 2.542 2.384 1.00 0.00 H new ATOM 0 HG3 ARG A 61 15.276 1.020 2.537 1.00 0.00 H new ATOM 0 HD2 ARG A 61 17.178 2.075 1.277 1.00 0.00 H new ATOM 0 HD3 ARG A 61 16.327 3.602 1.410 1.00 0.00 H new ATOM 0 HE ARG A 61 16.356 2.522 4.000 1.00 0.00 H new ATOM 0 HH11 ARG A 61 18.794 3.690 1.699 1.00 0.00 H new ATOM 0 HH12 ARG A 61 19.945 4.073 2.983 1.00 0.00 H new ATOM 0 HH21 ARG A 61 17.833 2.983 5.570 1.00 0.00 H new ATOM 0 HH22 ARG A 61 19.404 3.676 5.153 1.00 0.00 H new ATOM 985 N ASP A 62 13.889 4.645 0.785 1.00 0.00 N ATOM 986 CA ASP A 62 13.062 5.687 1.406 1.00 0.00 C ATOM 987 C ASP A 62 12.269 6.405 0.309 1.00 0.00 C ATOM 988 O ASP A 62 11.155 6.846 0.524 1.00 0.00 O ATOM 989 CB ASP A 62 13.967 6.681 2.129 1.00 0.00 C ATOM 990 CG ASP A 62 13.210 7.797 2.814 1.00 0.00 C ATOM 991 OD1 ASP A 62 12.966 8.838 2.190 1.00 0.00 O ATOM 992 OD2 ASP A 62 12.890 7.668 4.004 1.00 0.00 O ATOM 0 H ASP A 62 14.893 4.814 0.853 1.00 0.00 H new ATOM 0 HA ASP A 62 12.372 5.244 2.124 1.00 0.00 H new ATOM 0 HB2 ASP A 62 14.561 6.147 2.871 1.00 0.00 H new ATOM 0 HB3 ASP A 62 14.665 7.113 1.412 1.00 0.00 H new ATOM 997 N GLU A 63 12.861 6.466 -0.890 1.00 0.00 N ATOM 998 CA GLU A 63 12.199 7.042 -2.060 1.00 0.00 C ATOM 999 C GLU A 63 11.102 6.114 -2.531 1.00 0.00 C ATOM 1000 O GLU A 63 9.992 6.541 -2.760 1.00 0.00 O ATOM 1001 CB GLU A 63 13.179 7.270 -3.217 1.00 0.00 C ATOM 1002 CG GLU A 63 12.508 7.801 -4.480 1.00 0.00 C ATOM 1003 CD GLU A 63 11.886 9.166 -4.273 1.00 0.00 C ATOM 1004 OE1 GLU A 63 12.628 10.158 -4.133 1.00 0.00 O ATOM 1005 OE2 GLU A 63 10.662 9.273 -4.279 1.00 0.00 O ATOM 0 H GLU A 63 13.803 6.120 -1.073 1.00 0.00 H new ATOM 0 HA GLU A 63 11.788 8.006 -1.761 1.00 0.00 H new ATOM 0 HB2 GLU A 63 13.948 7.974 -2.899 1.00 0.00 H new ATOM 0 HB3 GLU A 63 13.682 6.331 -3.448 1.00 0.00 H new ATOM 0 HG2 GLU A 63 13.244 7.858 -5.282 1.00 0.00 H new ATOM 0 HG3 GLU A 63 11.739 7.099 -4.802 1.00 0.00 H new ATOM 1012 N TYR A 64 11.430 4.831 -2.657 1.00 0.00 N ATOM 1013 CA TYR A 64 10.477 3.833 -3.090 1.00 0.00 C ATOM 1014 C TYR A 64 9.341 3.766 -2.084 1.00 0.00 C ATOM 1015 O TYR A 64 8.193 3.685 -2.443 1.00 0.00 O ATOM 1016 CB TYR A 64 11.201 2.475 -3.339 1.00 0.00 C ATOM 1017 CG TYR A 64 10.672 1.296 -2.598 1.00 0.00 C ATOM 1018 CD1 TYR A 64 9.614 0.564 -3.096 1.00 0.00 C ATOM 1019 CD2 TYR A 64 11.221 0.932 -1.388 1.00 0.00 C ATOM 1020 CE1 TYR A 64 9.118 -0.504 -2.415 1.00 0.00 C ATOM 1021 CE2 TYR A 64 10.721 -0.143 -0.689 1.00 0.00 C ATOM 1022 CZ TYR A 64 9.667 -0.854 -1.217 1.00 0.00 C ATOM 1023 OH TYR A 64 9.167 -1.914 -0.552 1.00 0.00 O ATOM 0 H TYR A 64 12.361 4.463 -2.461 1.00 0.00 H new ATOM 0 HA TYR A 64 10.029 4.102 -4.047 1.00 0.00 H new ATOM 0 HB2 TYR A 64 11.158 2.255 -4.406 1.00 0.00 H new ATOM 0 HB3 TYR A 64 12.253 2.597 -3.081 1.00 0.00 H new ATOM 0 HD1 TYR A 64 9.173 0.843 -4.041 1.00 0.00 H new ATOM 0 HD2 TYR A 64 12.050 1.495 -0.985 1.00 0.00 H new ATOM 0 HE1 TYR A 64 8.294 -1.072 -2.821 1.00 0.00 H new ATOM 0 HE2 TYR A 64 11.150 -0.425 0.261 1.00 0.00 H new ATOM 0 HH TYR A 64 9.135 -2.690 -1.150 1.00 0.00 H new ATOM 1033 N TYR A 65 9.710 3.871 -0.837 1.00 0.00 N ATOM 1034 CA TYR A 65 8.810 3.974 0.271 1.00 0.00 C ATOM 1035 C TYR A 65 7.927 5.199 0.084 1.00 0.00 C ATOM 1036 O TYR A 65 6.743 5.114 0.217 1.00 0.00 O ATOM 1037 CB TYR A 65 9.684 4.145 1.516 1.00 0.00 C ATOM 1038 CG TYR A 65 9.030 4.445 2.839 1.00 0.00 C ATOM 1039 CD1 TYR A 65 8.238 5.570 3.036 1.00 0.00 C ATOM 1040 CD2 TYR A 65 9.263 3.636 3.903 1.00 0.00 C ATOM 1041 CE1 TYR A 65 7.694 5.851 4.242 1.00 0.00 C ATOM 1042 CE2 TYR A 65 8.743 3.913 5.115 1.00 0.00 C ATOM 1043 CZ TYR A 65 7.950 5.018 5.291 1.00 0.00 C ATOM 1044 OH TYR A 65 7.447 5.300 6.523 1.00 0.00 O ATOM 0 H TYR A 65 10.691 3.888 -0.557 1.00 0.00 H new ATOM 0 HA TYR A 65 8.167 3.098 0.358 1.00 0.00 H new ATOM 0 HB2 TYR A 65 10.264 3.230 1.637 1.00 0.00 H new ATOM 0 HB3 TYR A 65 10.393 4.947 1.311 1.00 0.00 H new ATOM 0 HD1 TYR A 65 8.052 6.236 2.206 1.00 0.00 H new ATOM 0 HD2 TYR A 65 9.875 2.755 3.777 1.00 0.00 H new ATOM 0 HE1 TYR A 65 7.067 6.721 4.372 1.00 0.00 H new ATOM 0 HE2 TYR A 65 8.952 3.262 5.951 1.00 0.00 H new ATOM 0 HH TYR A 65 6.629 5.831 6.429 1.00 0.00 H new ATOM 1054 N HIS A 66 8.542 6.329 -0.235 1.00 0.00 N ATOM 1055 CA HIS A 66 7.844 7.610 -0.347 1.00 0.00 C ATOM 1056 C HIS A 66 6.849 7.568 -1.477 1.00 0.00 C ATOM 1057 O HIS A 66 5.674 7.800 -1.265 1.00 0.00 O ATOM 1058 CB HIS A 66 8.835 8.765 -0.578 1.00 0.00 C ATOM 1059 CG HIS A 66 8.290 10.135 -0.268 1.00 0.00 C ATOM 1060 ND1 HIS A 66 8.774 10.932 0.751 1.00 0.00 N ATOM 1061 CD2 HIS A 66 7.301 10.851 -0.860 1.00 0.00 C ATOM 1062 CE1 HIS A 66 8.083 12.071 0.751 1.00 0.00 C ATOM 1063 NE2 HIS A 66 7.171 12.076 -0.211 1.00 0.00 N ATOM 0 H HIS A 66 9.542 6.387 -0.425 1.00 0.00 H new ATOM 0 HA HIS A 66 7.319 7.785 0.592 1.00 0.00 H new ATOM 0 HB2 HIS A 66 9.720 8.594 0.035 1.00 0.00 H new ATOM 0 HB3 HIS A 66 9.159 8.745 -1.619 1.00 0.00 H new ATOM 0 HD2 HIS A 66 6.709 10.523 -1.701 1.00 0.00 H new ATOM 0 HE1 HIS A 66 8.245 12.884 1.444 1.00 0.00 H new ATOM 0 HE2 HIS A 66 6.511 12.822 -0.430 1.00 0.00 H new ATOM 1071 N LEU A 67 7.319 7.242 -2.664 1.00 0.00 N ATOM 1072 CA LEU A 67 6.465 7.204 -3.823 1.00 0.00 C ATOM 1073 C LEU A 67 5.380 6.112 -3.715 1.00 0.00 C ATOM 1074 O LEU A 67 4.266 6.280 -4.226 1.00 0.00 O ATOM 1075 CB LEU A 67 7.276 7.193 -5.172 1.00 0.00 C ATOM 1076 CG LEU A 67 8.389 6.135 -5.373 1.00 0.00 C ATOM 1077 CD1 LEU A 67 7.852 4.757 -5.375 1.00 0.00 C ATOM 1078 CD2 LEU A 67 9.134 6.359 -6.666 1.00 0.00 C ATOM 0 H LEU A 67 8.293 6.999 -2.847 1.00 0.00 H new ATOM 0 HA LEU A 67 5.912 8.143 -3.847 1.00 0.00 H new ATOM 0 HB2 LEU A 67 6.560 7.075 -5.985 1.00 0.00 H new ATOM 0 HB3 LEU A 67 7.732 8.176 -5.289 1.00 0.00 H new ATOM 0 HG LEU A 67 9.070 6.251 -4.530 1.00 0.00 H new ATOM 0 HD11 LEU A 67 8.668 4.049 -5.519 1.00 0.00 H new ATOM 0 HD12 LEU A 67 7.361 4.556 -4.423 1.00 0.00 H new ATOM 0 HD13 LEU A 67 7.131 4.649 -6.185 1.00 0.00 H new ATOM 0 HD21 LEU A 67 9.908 5.599 -6.776 1.00 0.00 H new ATOM 0 HD22 LEU A 67 8.439 6.293 -7.503 1.00 0.00 H new ATOM 0 HD23 LEU A 67 9.594 7.347 -6.654 1.00 0.00 H new ATOM 1090 N LEU A 68 5.685 5.018 -3.013 1.00 0.00 N ATOM 1091 CA LEU A 68 4.698 3.988 -2.818 1.00 0.00 C ATOM 1092 C LEU A 68 3.707 4.457 -1.763 1.00 0.00 C ATOM 1093 O LEU A 68 2.502 4.227 -1.887 1.00 0.00 O ATOM 1094 CB LEU A 68 5.344 2.608 -2.467 1.00 0.00 C ATOM 1095 CG LEU A 68 5.612 2.240 -1.011 1.00 0.00 C ATOM 1096 CD1 LEU A 68 4.345 1.712 -0.364 1.00 0.00 C ATOM 1097 CD2 LEU A 68 6.693 1.204 -0.947 1.00 0.00 C ATOM 0 H LEU A 68 6.592 4.837 -2.583 1.00 0.00 H new ATOM 0 HA LEU A 68 4.164 3.819 -3.753 1.00 0.00 H new ATOM 0 HB2 LEU A 68 4.701 1.833 -2.884 1.00 0.00 H new ATOM 0 HB3 LEU A 68 6.295 2.551 -2.996 1.00 0.00 H new ATOM 0 HG LEU A 68 5.935 3.130 -0.470 1.00 0.00 H new ATOM 0 HD11 LEU A 68 4.548 1.452 0.675 1.00 0.00 H new ATOM 0 HD12 LEU A 68 3.571 2.478 -0.402 1.00 0.00 H new ATOM 0 HD13 LEU A 68 4.005 0.826 -0.900 1.00 0.00 H new ATOM 0 HD21 LEU A 68 6.884 0.941 0.093 1.00 0.00 H new ATOM 0 HD22 LEU A 68 6.378 0.315 -1.494 1.00 0.00 H new ATOM 0 HD23 LEU A 68 7.604 1.601 -1.394 1.00 0.00 H new ATOM 1109 N ALA A 69 4.221 5.145 -0.726 1.00 0.00 N ATOM 1110 CA ALA A 69 3.397 5.679 0.321 1.00 0.00 C ATOM 1111 C ALA A 69 2.460 6.707 -0.267 1.00 0.00 C ATOM 1112 O ALA A 69 1.335 6.780 0.113 1.00 0.00 O ATOM 1113 CB ALA A 69 4.241 6.260 1.458 1.00 0.00 C ATOM 0 H ALA A 69 5.217 5.334 -0.611 1.00 0.00 H new ATOM 0 HA ALA A 69 2.807 4.875 0.760 1.00 0.00 H new ATOM 0 HB1 ALA A 69 3.584 6.655 2.233 1.00 0.00 H new ATOM 0 HB2 ALA A 69 4.871 5.477 1.880 1.00 0.00 H new ATOM 0 HB3 ALA A 69 4.870 7.062 1.071 1.00 0.00 H new ATOM 1119 N GLU A 70 2.954 7.447 -1.237 1.00 0.00 N ATOM 1120 CA GLU A 70 2.181 8.416 -1.999 1.00 0.00 C ATOM 1121 C GLU A 70 1.081 7.761 -2.825 1.00 0.00 C ATOM 1122 O GLU A 70 -0.059 8.244 -2.864 1.00 0.00 O ATOM 1123 CB GLU A 70 3.108 9.180 -2.913 1.00 0.00 C ATOM 1124 CG GLU A 70 3.805 10.323 -2.245 1.00 0.00 C ATOM 1125 CD GLU A 70 2.859 11.489 -2.053 1.00 0.00 C ATOM 1126 OE1 GLU A 70 2.612 12.224 -3.043 1.00 0.00 O ATOM 1127 OE2 GLU A 70 2.343 11.689 -0.951 1.00 0.00 O ATOM 0 H GLU A 70 3.930 7.393 -1.528 1.00 0.00 H new ATOM 0 HA GLU A 70 1.699 9.087 -1.289 1.00 0.00 H new ATOM 0 HB2 GLU A 70 3.855 8.495 -3.313 1.00 0.00 H new ATOM 0 HB3 GLU A 70 2.537 9.560 -3.760 1.00 0.00 H new ATOM 0 HG2 GLU A 70 4.196 10.003 -1.279 1.00 0.00 H new ATOM 0 HG3 GLU A 70 4.659 10.636 -2.846 1.00 0.00 H new ATOM 1134 N LYS A 71 1.399 6.671 -3.488 1.00 0.00 N ATOM 1135 CA LYS A 71 0.405 6.025 -4.312 1.00 0.00 C ATOM 1136 C LYS A 71 -0.637 5.316 -3.455 1.00 0.00 C ATOM 1137 O LYS A 71 -1.820 5.290 -3.784 1.00 0.00 O ATOM 1138 CB LYS A 71 1.045 5.102 -5.386 1.00 0.00 C ATOM 1139 CG LYS A 71 1.717 3.800 -4.905 1.00 0.00 C ATOM 1140 CD LYS A 71 0.724 2.655 -4.614 1.00 0.00 C ATOM 1141 CE LYS A 71 -0.148 2.388 -5.820 1.00 0.00 C ATOM 1142 NZ LYS A 71 -0.968 1.169 -5.709 1.00 0.00 N ATOM 0 H LYS A 71 2.315 6.223 -3.474 1.00 0.00 H new ATOM 0 HA LYS A 71 -0.122 6.798 -4.871 1.00 0.00 H new ATOM 0 HB2 LYS A 71 0.269 4.834 -6.103 1.00 0.00 H new ATOM 0 HB3 LYS A 71 1.791 5.684 -5.927 1.00 0.00 H new ATOM 0 HG2 LYS A 71 2.427 3.468 -5.662 1.00 0.00 H new ATOM 0 HG3 LYS A 71 2.289 4.010 -4.001 1.00 0.00 H new ATOM 0 HD2 LYS A 71 1.271 1.751 -4.347 1.00 0.00 H new ATOM 0 HD3 LYS A 71 0.101 2.915 -3.758 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -0.806 3.243 -5.976 1.00 0.00 H new ATOM 0 HE3 LYS A 71 0.486 2.308 -6.703 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -0.700 0.501 -6.459 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -0.811 0.728 -4.780 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -1.973 1.416 -5.809 1.00 0.00 H new ATOM 1156 N ILE A 72 -0.210 4.766 -2.344 1.00 0.00 N ATOM 1157 CA ILE A 72 -1.132 4.099 -1.477 1.00 0.00 C ATOM 1158 C ILE A 72 -2.007 5.152 -0.789 1.00 0.00 C ATOM 1159 O ILE A 72 -3.195 4.966 -0.618 1.00 0.00 O ATOM 1160 CB ILE A 72 -0.413 3.148 -0.467 1.00 0.00 C ATOM 1161 CG1 ILE A 72 -1.399 2.263 0.216 1.00 0.00 C ATOM 1162 CG2 ILE A 72 0.405 3.876 0.577 1.00 0.00 C ATOM 1163 CD1 ILE A 72 -0.780 1.427 1.294 1.00 0.00 C ATOM 0 H ILE A 72 0.760 4.770 -2.027 1.00 0.00 H new ATOM 0 HA ILE A 72 -1.774 3.444 -2.066 1.00 0.00 H new ATOM 0 HB ILE A 72 0.280 2.556 -1.065 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -2.192 2.875 0.647 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -1.866 1.610 -0.521 1.00 0.00 H new ATOM 0 HG21 ILE A 72 0.874 3.151 1.242 1.00 0.00 H new ATOM 0 HG22 ILE A 72 1.176 4.470 0.086 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -0.245 4.532 1.156 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -1.546 0.803 1.756 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -0.006 0.792 0.863 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -0.337 2.077 2.049 1.00 0.00 H new ATOM 1175 N TYR A 73 -1.387 6.278 -0.493 1.00 0.00 N ATOM 1176 CA TYR A 73 -2.010 7.475 0.052 1.00 0.00 C ATOM 1177 C TYR A 73 -3.168 7.922 -0.816 1.00 0.00 C ATOM 1178 O TYR A 73 -4.291 8.088 -0.319 1.00 0.00 O ATOM 1179 CB TYR A 73 -0.899 8.543 0.141 1.00 0.00 C ATOM 1180 CG TYR A 73 -1.248 10.010 0.129 1.00 0.00 C ATOM 1181 CD1 TYR A 73 -1.488 10.665 -1.065 1.00 0.00 C ATOM 1182 CD2 TYR A 73 -1.256 10.746 1.280 1.00 0.00 C ATOM 1183 CE1 TYR A 73 -1.738 12.002 -1.102 1.00 0.00 C ATOM 1184 CE2 TYR A 73 -1.513 12.092 1.256 1.00 0.00 C ATOM 1185 CZ TYR A 73 -1.751 12.714 0.060 1.00 0.00 C ATOM 1186 OH TYR A 73 -2.017 14.055 0.032 1.00 0.00 O ATOM 0 H TYR A 73 -0.383 6.391 -0.632 1.00 0.00 H new ATOM 0 HA TYR A 73 -2.435 7.293 1.039 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -0.341 8.352 1.058 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -0.216 8.367 -0.690 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -1.477 10.104 -1.988 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -1.057 10.260 2.223 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -1.925 12.495 -2.045 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -1.528 12.659 2.175 1.00 0.00 H new ATOM 0 HH TYR A 73 -1.989 14.413 0.944 1.00 0.00 H new ATOM 1196 N LYS A 74 -2.907 8.077 -2.112 1.00 0.00 N ATOM 1197 CA LYS A 74 -3.922 8.547 -3.029 1.00 0.00 C ATOM 1198 C LYS A 74 -5.025 7.518 -3.176 1.00 0.00 C ATOM 1199 O LYS A 74 -6.173 7.876 -3.255 1.00 0.00 O ATOM 1200 CB LYS A 74 -3.335 8.948 -4.397 1.00 0.00 C ATOM 1201 CG LYS A 74 -2.808 7.795 -5.222 1.00 0.00 C ATOM 1202 CD LYS A 74 -2.186 8.246 -6.539 1.00 0.00 C ATOM 1203 CE LYS A 74 -0.984 9.169 -6.346 1.00 0.00 C ATOM 1204 NZ LYS A 74 -0.353 9.506 -7.635 1.00 0.00 N ATOM 0 H LYS A 74 -2.003 7.883 -2.542 1.00 0.00 H new ATOM 0 HA LYS A 74 -4.354 9.452 -2.603 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -4.105 9.465 -4.970 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -2.526 9.661 -4.235 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -2.064 7.250 -4.642 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -3.622 7.100 -5.429 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -1.876 7.369 -7.107 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -2.941 8.761 -7.134 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -1.302 10.083 -5.845 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -0.253 8.687 -5.696 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 0.460 10.134 -7.470 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -0.029 8.635 -8.101 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -1.044 9.988 -8.245 1.00 0.00 H new ATOM 1218 N ILE A 75 -4.664 6.231 -3.132 1.00 0.00 N ATOM 1219 CA ILE A 75 -5.640 5.164 -3.232 1.00 0.00 C ATOM 1220 C ILE A 75 -6.594 5.209 -2.045 1.00 0.00 C ATOM 1221 O ILE A 75 -7.817 5.095 -2.214 1.00 0.00 O ATOM 1222 CB ILE A 75 -4.941 3.751 -3.371 1.00 0.00 C ATOM 1223 CG1 ILE A 75 -4.816 3.318 -4.839 1.00 0.00 C ATOM 1224 CG2 ILE A 75 -5.638 2.662 -2.566 1.00 0.00 C ATOM 1225 CD1 ILE A 75 -4.068 4.270 -5.746 1.00 0.00 C ATOM 0 H ILE A 75 -3.701 5.913 -3.028 1.00 0.00 H new ATOM 0 HA ILE A 75 -6.224 5.316 -4.140 1.00 0.00 H new ATOM 0 HB ILE A 75 -3.941 3.878 -2.956 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -4.318 2.349 -4.871 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -5.818 3.174 -5.242 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -5.113 1.717 -2.702 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -5.634 2.931 -1.510 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -6.667 2.558 -2.910 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -4.041 3.864 -6.757 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -4.573 5.236 -5.756 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -3.050 4.397 -5.379 1.00 0.00 H new ATOM 1237 N GLN A 76 -6.029 5.446 -0.863 1.00 0.00 N ATOM 1238 CA GLN A 76 -6.804 5.478 0.356 1.00 0.00 C ATOM 1239 C GLN A 76 -7.797 6.591 0.332 1.00 0.00 C ATOM 1240 O GLN A 76 -8.985 6.381 0.573 1.00 0.00 O ATOM 1241 CB GLN A 76 -5.924 5.617 1.581 1.00 0.00 C ATOM 1242 CG GLN A 76 -4.969 4.485 1.738 1.00 0.00 C ATOM 1243 CD GLN A 76 -4.396 4.380 3.137 1.00 0.00 C ATOM 1244 OE1 GLN A 76 -5.042 4.747 4.123 1.00 0.00 O ATOM 1245 NE2 GLN A 76 -3.188 3.887 3.239 1.00 0.00 N ATOM 0 H GLN A 76 -5.032 5.618 -0.733 1.00 0.00 H new ATOM 0 HA GLN A 76 -7.331 4.526 0.416 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -5.366 6.551 1.517 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -6.553 5.681 2.469 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -5.476 3.553 1.489 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -4.153 4.605 1.026 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -2.684 3.594 2.402 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -2.750 3.796 4.156 1.00 0.00 H new ATOM 1254 N LYS A 77 -7.336 7.776 -0.002 1.00 0.00 N ATOM 1255 CA LYS A 77 -8.205 8.880 -0.002 1.00 0.00 C ATOM 1256 C LYS A 77 -9.164 8.845 -1.173 1.00 0.00 C ATOM 1257 O LYS A 77 -10.269 9.292 -1.029 1.00 0.00 O ATOM 1258 CB LYS A 77 -7.431 10.165 0.088 1.00 0.00 C ATOM 1259 CG LYS A 77 -6.329 10.294 -0.940 1.00 0.00 C ATOM 1260 CD LYS A 77 -5.639 11.619 -0.837 1.00 0.00 C ATOM 1261 CE LYS A 77 -5.116 11.903 0.568 1.00 0.00 C ATOM 1262 NZ LYS A 77 -4.696 13.319 0.741 1.00 0.00 N ATOM 0 H LYS A 77 -6.373 7.976 -0.271 1.00 0.00 H new ATOM 0 HA LYS A 77 -8.830 8.822 0.889 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -8.121 11.001 -0.027 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -6.996 10.246 1.084 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -5.604 9.492 -0.801 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -6.746 10.176 -1.940 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -4.808 11.647 -1.542 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -6.332 12.408 -1.129 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -5.891 11.665 1.296 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -4.270 11.248 0.777 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -4.723 13.568 1.750 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -3.728 13.441 0.380 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -5.343 13.940 0.214 1.00 0.00 H new ATOM 1276 N GLU A 78 -8.750 8.244 -2.301 1.00 0.00 N ATOM 1277 CA GLU A 78 -9.600 8.142 -3.493 1.00 0.00 C ATOM 1278 C GLU A 78 -10.868 7.396 -3.131 1.00 0.00 C ATOM 1279 O GLU A 78 -11.979 7.892 -3.343 1.00 0.00 O ATOM 1280 CB GLU A 78 -8.895 7.363 -4.620 1.00 0.00 C ATOM 1281 CG GLU A 78 -9.428 7.664 -6.014 1.00 0.00 C ATOM 1282 CD GLU A 78 -9.061 9.051 -6.497 1.00 0.00 C ATOM 1283 OE1 GLU A 78 -9.525 10.040 -5.922 1.00 0.00 O ATOM 1284 OE2 GLU A 78 -8.329 9.168 -7.492 1.00 0.00 O ATOM 0 H GLU A 78 -7.828 7.821 -2.410 1.00 0.00 H new ATOM 0 HA GLU A 78 -9.817 9.152 -3.841 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -7.830 7.592 -4.593 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -8.997 6.295 -4.427 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -9.038 6.926 -6.714 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -10.513 7.560 -6.013 1.00 0.00 H new ATOM 1291 N LEU A 79 -10.695 6.218 -2.533 1.00 0.00 N ATOM 1292 CA LEU A 79 -11.825 5.400 -2.165 1.00 0.00 C ATOM 1293 C LEU A 79 -12.653 6.038 -1.044 1.00 0.00 C ATOM 1294 O LEU A 79 -13.910 6.011 -1.086 1.00 0.00 O ATOM 1295 CB LEU A 79 -11.398 3.931 -1.872 1.00 0.00 C ATOM 1296 CG LEU A 79 -10.353 3.669 -0.765 1.00 0.00 C ATOM 1297 CD1 LEU A 79 -10.980 3.624 0.625 1.00 0.00 C ATOM 1298 CD2 LEU A 79 -9.574 2.399 -1.056 1.00 0.00 C ATOM 0 H LEU A 79 -9.785 5.820 -2.299 1.00 0.00 H new ATOM 0 HA LEU A 79 -12.494 5.348 -3.024 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -12.297 3.370 -1.617 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -11.011 3.508 -2.799 1.00 0.00 H new ATOM 0 HG LEU A 79 -9.660 4.510 -0.768 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -10.205 3.437 1.368 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -11.464 4.578 0.837 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -11.720 2.825 0.665 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -8.843 2.231 -0.265 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -10.260 1.553 -1.101 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -9.059 2.499 -2.011 1.00 0.00 H new ATOM 1310 N GLU A 80 -11.964 6.652 -0.083 1.00 0.00 N ATOM 1311 CA GLU A 80 -12.592 7.282 1.034 1.00 0.00 C ATOM 1312 C GLU A 80 -13.462 8.441 0.565 1.00 0.00 C ATOM 1313 O GLU A 80 -14.635 8.452 0.834 1.00 0.00 O ATOM 1314 CB GLU A 80 -11.509 7.767 1.977 1.00 0.00 C ATOM 1315 CG GLU A 80 -11.776 7.544 3.452 1.00 0.00 C ATOM 1316 CD GLU A 80 -12.870 8.413 4.056 1.00 0.00 C ATOM 1317 OE1 GLU A 80 -12.565 9.567 4.482 1.00 0.00 O ATOM 1318 OE2 GLU A 80 -14.025 7.947 4.186 1.00 0.00 O ATOM 0 H GLU A 80 -10.946 6.716 -0.075 1.00 0.00 H new ATOM 0 HA GLU A 80 -13.238 6.573 1.552 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -10.575 7.269 1.716 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -11.359 8.834 1.811 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -12.043 6.498 3.602 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -10.851 7.719 4.002 1.00 0.00 H new ATOM 1325 N GLU A 81 -12.900 9.359 -0.213 1.00 0.00 N ATOM 1326 CA GLU A 81 -13.635 10.545 -0.635 1.00 0.00 C ATOM 1327 C GLU A 81 -14.749 10.224 -1.627 1.00 0.00 C ATOM 1328 O GLU A 81 -15.801 10.870 -1.592 1.00 0.00 O ATOM 1329 CB GLU A 81 -12.718 11.652 -1.169 1.00 0.00 C ATOM 1330 CG GLU A 81 -11.949 11.294 -2.416 1.00 0.00 C ATOM 1331 CD GLU A 81 -11.056 12.402 -2.879 1.00 0.00 C ATOM 1332 OE1 GLU A 81 -11.517 13.284 -3.662 1.00 0.00 O ATOM 1333 OE2 GLU A 81 -9.877 12.423 -2.519 1.00 0.00 O ATOM 0 H GLU A 81 -11.943 9.306 -0.563 1.00 0.00 H new ATOM 0 HA GLU A 81 -14.109 10.930 0.268 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -13.322 12.536 -1.373 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -12.008 11.924 -0.388 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -11.349 10.404 -2.226 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -12.650 11.041 -3.211 1.00 0.00 H new ATOM 1340 N LYS A 82 -14.546 9.221 -2.503 1.00 0.00 N ATOM 1341 CA LYS A 82 -15.597 8.851 -3.452 1.00 0.00 C ATOM 1342 C LYS A 82 -16.797 8.291 -2.709 1.00 0.00 C ATOM 1343 O LYS A 82 -17.949 8.497 -3.112 1.00 0.00 O ATOM 1344 CB LYS A 82 -15.083 7.918 -4.608 1.00 0.00 C ATOM 1345 CG LYS A 82 -14.597 6.516 -4.221 1.00 0.00 C ATOM 1346 CD LYS A 82 -15.746 5.535 -4.006 1.00 0.00 C ATOM 1347 CE LYS A 82 -15.240 4.174 -3.588 1.00 0.00 C ATOM 1348 NZ LYS A 82 -16.352 3.251 -3.242 1.00 0.00 N ATOM 0 H LYS A 82 -13.689 8.671 -2.569 1.00 0.00 H new ATOM 0 HA LYS A 82 -15.922 9.756 -3.965 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -15.888 7.807 -5.334 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -14.265 8.430 -5.115 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -13.940 6.135 -5.003 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -14.003 6.580 -3.309 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -16.420 5.924 -3.243 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -16.324 5.443 -4.925 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -14.649 3.743 -4.396 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -14.577 4.281 -2.730 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -15.963 2.329 -2.961 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -16.902 3.650 -2.454 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -16.971 3.128 -4.069 1.00 0.00 H new ATOM 1587 N THR B 110 0.408 11.370 7.786 1.00 0.00 N ATOM 1588 CA THR B 110 -0.299 10.310 8.467 1.00 0.00 C ATOM 1589 C THR B 110 0.120 8.935 7.926 1.00 0.00 C ATOM 1590 O THR B 110 0.422 8.009 8.693 1.00 0.00 O ATOM 1591 CB THR B 110 -1.807 10.513 8.235 1.00 0.00 C ATOM 1592 OG1 THR B 110 -2.162 11.857 8.596 1.00 0.00 O ATOM 1593 CG2 THR B 110 -2.617 9.537 9.055 1.00 0.00 C ATOM 0 HA THR B 110 -0.062 10.342 9.530 1.00 0.00 H new ATOM 0 HB THR B 110 -2.026 10.337 7.182 1.00 0.00 H new ATOM 0 HG1 THR B 110 -1.429 12.464 8.360 1.00 0.00 H new ATOM 0 HG21 THR B 110 -3.679 9.702 8.873 1.00 0.00 H new ATOM 0 HG22 THR B 110 -2.354 8.518 8.772 1.00 0.00 H new ATOM 0 HG23 THR B 110 -2.403 9.686 10.113 1.00 0.00 H new ATOM 1601 N LEU B 111 0.212 8.860 6.616 1.00 0.00 N ATOM 1602 CA LEU B 111 0.493 7.635 5.911 1.00 0.00 C ATOM 1603 C LEU B 111 1.930 7.171 6.145 1.00 0.00 C ATOM 1604 O LEU B 111 2.159 6.030 6.568 1.00 0.00 O ATOM 1605 CB LEU B 111 0.209 7.795 4.393 1.00 0.00 C ATOM 1606 CG LEU B 111 -1.271 8.001 3.930 1.00 0.00 C ATOM 1607 CD1 LEU B 111 -2.149 6.859 4.379 1.00 0.00 C ATOM 1608 CD2 LEU B 111 -1.867 9.330 4.395 1.00 0.00 C ATOM 0 H LEU B 111 0.091 9.666 6.002 1.00 0.00 H new ATOM 0 HA LEU B 111 -0.172 6.867 6.307 1.00 0.00 H new ATOM 0 HB2 LEU B 111 0.790 8.645 4.034 1.00 0.00 H new ATOM 0 HB3 LEU B 111 0.594 6.909 3.888 1.00 0.00 H new ATOM 0 HG LEU B 111 -1.240 8.024 2.841 1.00 0.00 H new ATOM 0 HD11 LEU B 111 -3.171 7.032 4.042 1.00 0.00 H new ATOM 0 HD12 LEU B 111 -1.779 5.926 3.953 1.00 0.00 H new ATOM 0 HD13 LEU B 111 -2.132 6.793 5.467 1.00 0.00 H new ATOM 0 HD21 LEU B 111 -2.895 9.411 4.041 1.00 0.00 H new ATOM 0 HD22 LEU B 111 -1.854 9.374 5.484 1.00 0.00 H new ATOM 0 HD23 LEU B 111 -1.278 10.154 3.992 1.00 0.00 H new ATOM 1620 N GLN B 112 2.893 8.063 5.916 1.00 0.00 N ATOM 1621 CA GLN B 112 4.300 7.701 6.052 1.00 0.00 C ATOM 1622 C GLN B 112 4.645 7.388 7.481 1.00 0.00 C ATOM 1623 O GLN B 112 5.318 6.390 7.752 1.00 0.00 O ATOM 1624 CB GLN B 112 5.272 8.772 5.540 1.00 0.00 C ATOM 1625 CG GLN B 112 5.173 9.106 4.066 1.00 0.00 C ATOM 1626 CD GLN B 112 6.436 9.800 3.574 1.00 0.00 C ATOM 1627 OE1 GLN B 112 6.574 11.019 3.632 1.00 0.00 O ATOM 1628 NE2 GLN B 112 7.364 9.025 3.082 1.00 0.00 N ATOM 0 H GLN B 112 2.726 9.030 5.639 1.00 0.00 H new ATOM 0 HA GLN B 112 4.421 6.818 5.425 1.00 0.00 H new ATOM 0 HB2 GLN B 112 5.109 9.686 6.111 1.00 0.00 H new ATOM 0 HB3 GLN B 112 6.289 8.442 5.750 1.00 0.00 H new ATOM 0 HG2 GLN B 112 5.010 8.193 3.493 1.00 0.00 H new ATOM 0 HG3 GLN B 112 4.310 9.749 3.893 1.00 0.00 H new ATOM 0 HE21 GLN B 112 7.220 8.016 3.047 1.00 0.00 H new ATOM 0 HE22 GLN B 112 8.233 9.429 2.732 1.00 0.00 H new ATOM 1637 N ASP B 113 4.163 8.216 8.391 1.00 0.00 N ATOM 1638 CA ASP B 113 4.455 8.047 9.808 1.00 0.00 C ATOM 1639 C ASP B 113 3.918 6.725 10.314 1.00 0.00 C ATOM 1640 O ASP B 113 4.627 5.987 11.002 1.00 0.00 O ATOM 1641 CB ASP B 113 3.903 9.206 10.637 1.00 0.00 C ATOM 1642 CG ASP B 113 4.211 9.062 12.106 1.00 0.00 C ATOM 1643 OD1 ASP B 113 5.344 9.374 12.525 1.00 0.00 O ATOM 1644 OD2 ASP B 113 3.323 8.656 12.871 1.00 0.00 O ATOM 0 H ASP B 113 3.566 9.015 8.176 1.00 0.00 H new ATOM 0 HA ASP B 113 5.539 8.046 9.922 1.00 0.00 H new ATOM 0 HB2 ASP B 113 4.323 10.143 10.271 1.00 0.00 H new ATOM 0 HB3 ASP B 113 2.823 9.265 10.499 1.00 0.00 H new ATOM 1649 N LEU B 114 2.691 6.397 9.918 1.00 0.00 N ATOM 1650 CA LEU B 114 2.064 5.138 10.311 1.00 0.00 C ATOM 1651 C LEU B 114 2.907 3.958 9.829 1.00 0.00 C ATOM 1652 O LEU B 114 3.171 3.024 10.590 1.00 0.00 O ATOM 1653 CB LEU B 114 0.643 5.040 9.736 1.00 0.00 C ATOM 1654 CG LEU B 114 -0.166 3.788 10.108 1.00 0.00 C ATOM 1655 CD1 LEU B 114 -0.413 3.720 11.613 1.00 0.00 C ATOM 1656 CD2 LEU B 114 -1.480 3.761 9.346 1.00 0.00 C ATOM 0 H LEU B 114 2.110 6.988 9.323 1.00 0.00 H new ATOM 0 HA LEU B 114 2.001 5.108 11.399 1.00 0.00 H new ATOM 0 HB2 LEU B 114 0.083 5.916 10.062 1.00 0.00 H new ATOM 0 HB3 LEU B 114 0.711 5.091 8.649 1.00 0.00 H new ATOM 0 HG LEU B 114 0.417 2.911 9.826 1.00 0.00 H new ATOM 0 HD11 LEU B 114 -0.988 2.824 11.847 1.00 0.00 H new ATOM 0 HD12 LEU B 114 0.542 3.686 12.137 1.00 0.00 H new ATOM 0 HD13 LEU B 114 -0.970 4.602 11.930 1.00 0.00 H new ATOM 0 HD21 LEU B 114 -2.042 2.868 9.621 1.00 0.00 H new ATOM 0 HD22 LEU B 114 -2.063 4.647 9.595 1.00 0.00 H new ATOM 0 HD23 LEU B 114 -1.279 3.748 8.275 1.00 0.00 H new ATOM 1668 N LEU B 115 3.355 4.033 8.575 1.00 0.00 N ATOM 1669 CA LEU B 115 4.196 2.997 7.981 1.00 0.00 C ATOM 1670 C LEU B 115 5.467 2.761 8.783 1.00 0.00 C ATOM 1671 O LEU B 115 5.657 1.691 9.328 1.00 0.00 O ATOM 1672 CB LEU B 115 4.616 3.369 6.571 1.00 0.00 C ATOM 1673 CG LEU B 115 3.548 3.399 5.483 1.00 0.00 C ATOM 1674 CD1 LEU B 115 4.185 3.764 4.151 1.00 0.00 C ATOM 1675 CD2 LEU B 115 2.815 2.065 5.388 1.00 0.00 C ATOM 0 H LEU B 115 3.146 4.809 7.947 1.00 0.00 H new ATOM 0 HA LEU B 115 3.589 2.092 7.976 1.00 0.00 H new ATOM 0 HB2 LEU B 115 5.078 4.356 6.611 1.00 0.00 H new ATOM 0 HB3 LEU B 115 5.389 2.667 6.258 1.00 0.00 H new ATOM 0 HG LEU B 115 2.809 4.157 5.743 1.00 0.00 H new ATOM 0 HD11 LEU B 115 3.420 3.785 3.375 1.00 0.00 H new ATOM 0 HD12 LEU B 115 4.651 4.746 4.228 1.00 0.00 H new ATOM 0 HD13 LEU B 115 4.942 3.023 3.894 1.00 0.00 H new ATOM 0 HD21 LEU B 115 2.060 2.120 4.603 1.00 0.00 H new ATOM 0 HD22 LEU B 115 3.527 1.274 5.152 1.00 0.00 H new ATOM 0 HD23 LEU B 115 2.333 1.846 6.341 1.00 0.00 H new ATOM 1687 N THR B 116 6.310 3.784 8.874 1.00 0.00 N ATOM 1688 CA THR B 116 7.622 3.665 9.505 1.00 0.00 C ATOM 1689 C THR B 116 7.508 3.254 10.980 1.00 0.00 C ATOM 1690 O THR B 116 8.324 2.468 11.488 1.00 0.00 O ATOM 1691 CB THR B 116 8.476 4.980 9.331 1.00 0.00 C ATOM 1692 OG1 THR B 116 9.800 4.813 9.841 1.00 0.00 O ATOM 1693 CG2 THR B 116 7.825 6.182 10.011 1.00 0.00 C ATOM 0 H THR B 116 6.105 4.716 8.514 1.00 0.00 H new ATOM 0 HA THR B 116 8.154 2.866 8.989 1.00 0.00 H new ATOM 0 HB THR B 116 8.524 5.172 8.259 1.00 0.00 H new ATOM 0 HG1 THR B 116 10.305 5.644 9.718 1.00 0.00 H new ATOM 0 HG21 THR B 116 8.448 7.064 9.865 1.00 0.00 H new ATOM 0 HG22 THR B 116 6.841 6.357 9.577 1.00 0.00 H new ATOM 0 HG23 THR B 116 7.721 5.984 11.078 1.00 0.00 H new ATOM 1701 N SER B 117 6.450 3.694 11.630 1.00 0.00 N ATOM 1702 CA SER B 117 6.276 3.392 13.033 1.00 0.00 C ATOM 1703 C SER B 117 5.926 1.923 13.218 1.00 0.00 C ATOM 1704 O SER B 117 6.574 1.198 13.987 1.00 0.00 O ATOM 1705 CB SER B 117 5.195 4.281 13.644 1.00 0.00 C ATOM 1706 OG SER B 117 5.506 5.656 13.454 1.00 0.00 O ATOM 0 H SER B 117 5.707 4.255 11.214 1.00 0.00 H new ATOM 0 HA SER B 117 7.215 3.592 13.549 1.00 0.00 H new ATOM 0 HB2 SER B 117 4.231 4.055 13.188 1.00 0.00 H new ATOM 0 HB3 SER B 117 5.102 4.068 14.709 1.00 0.00 H new ATOM 0 HG SER B 117 5.026 5.995 12.669 1.00 0.00 H new ATOM 1712 N ASP B 118 4.962 1.472 12.458 1.00 0.00 N ATOM 1713 CA ASP B 118 4.464 0.125 12.590 1.00 0.00 C ATOM 1714 C ASP B 118 5.447 -0.878 11.961 1.00 0.00 C ATOM 1715 O ASP B 118 5.553 -2.012 12.396 1.00 0.00 O ATOM 1716 CB ASP B 118 3.065 0.043 11.955 1.00 0.00 C ATOM 1717 CG ASP B 118 2.291 -1.202 12.321 1.00 0.00 C ATOM 1718 OD1 ASP B 118 1.948 -1.370 13.509 1.00 0.00 O ATOM 1719 OD2 ASP B 118 1.963 -2.000 11.414 1.00 0.00 O ATOM 0 H ASP B 118 4.501 2.023 11.734 1.00 0.00 H new ATOM 0 HA ASP B 118 4.378 -0.139 13.644 1.00 0.00 H new ATOM 0 HB2 ASP B 118 2.489 0.917 12.258 1.00 0.00 H new ATOM 0 HB3 ASP B 118 3.167 0.088 10.871 1.00 0.00 H new ATOM 1724 N SER B 119 6.168 -0.452 10.943 1.00 0.00 N ATOM 1725 CA SER B 119 7.131 -1.317 10.293 1.00 0.00 C ATOM 1726 C SER B 119 8.434 -1.452 11.076 1.00 0.00 C ATOM 1727 O SER B 119 8.850 -2.547 11.415 1.00 0.00 O ATOM 1728 CB SER B 119 7.438 -0.830 8.876 1.00 0.00 C ATOM 1729 OG SER B 119 8.258 -1.755 8.186 1.00 0.00 O ATOM 0 H SER B 119 6.105 0.487 10.549 1.00 0.00 H new ATOM 0 HA SER B 119 6.667 -2.302 10.251 1.00 0.00 H new ATOM 0 HB2 SER B 119 6.507 -0.685 8.328 1.00 0.00 H new ATOM 0 HB3 SER B 119 7.935 0.139 8.921 1.00 0.00 H new ATOM 0 HG SER B 119 9.191 -1.635 8.462 1.00 0.00 H new ATOM 1958 N MET B 141 -14.054 0.768 -6.191 1.00 0.00 N ATOM 1959 CA MET B 141 -12.623 0.880 -6.331 1.00 0.00 C ATOM 1960 C MET B 141 -12.121 -0.267 -7.216 1.00 0.00 C ATOM 1961 O MET B 141 -11.278 -0.066 -8.076 1.00 0.00 O ATOM 1962 CB MET B 141 -11.968 0.832 -4.940 1.00 0.00 C ATOM 1963 CG MET B 141 -10.544 1.342 -4.888 1.00 0.00 C ATOM 1964 SD MET B 141 -10.449 3.087 -5.332 1.00 0.00 S ATOM 1965 CE MET B 141 -8.700 3.397 -5.106 1.00 0.00 C ATOM 0 HA MET B 141 -12.359 1.828 -6.800 1.00 0.00 H new ATOM 0 HB2 MET B 141 -12.574 1.418 -4.249 1.00 0.00 H new ATOM 0 HB3 MET B 141 -11.983 -0.198 -4.583 1.00 0.00 H new ATOM 0 HG2 MET B 141 -10.142 1.198 -3.885 1.00 0.00 H new ATOM 0 HG3 MET B 141 -9.923 0.758 -5.567 1.00 0.00 H new ATOM 0 HE1 MET B 141 -8.432 4.338 -5.586 1.00 0.00 H new ATOM 0 HE2 MET B 141 -8.476 3.456 -4.041 1.00 0.00 H new ATOM 0 HE3 MET B 141 -8.126 2.585 -5.553 1.00 0.00 H new ATOM 1975 N GLU B 142 -12.721 -1.452 -7.028 1.00 0.00 N ATOM 1976 CA GLU B 142 -12.415 -2.668 -7.773 1.00 0.00 C ATOM 1977 C GLU B 142 -12.482 -2.495 -9.273 1.00 0.00 C ATOM 1978 O GLU B 142 -11.863 -3.242 -9.983 1.00 0.00 O ATOM 1979 CB GLU B 142 -13.281 -3.849 -7.365 1.00 0.00 C ATOM 1980 CG GLU B 142 -13.002 -4.398 -5.983 1.00 0.00 C ATOM 1981 CD GLU B 142 -13.756 -5.676 -5.743 1.00 0.00 C ATOM 1982 OE1 GLU B 142 -15.004 -5.637 -5.682 1.00 0.00 O ATOM 1983 OE2 GLU B 142 -13.120 -6.759 -5.673 1.00 0.00 O ATOM 0 H GLU B 142 -13.453 -1.588 -6.331 1.00 0.00 H new ATOM 0 HA GLU B 142 -11.381 -2.883 -7.505 1.00 0.00 H new ATOM 0 HB2 GLU B 142 -14.327 -3.548 -7.416 1.00 0.00 H new ATOM 0 HB3 GLU B 142 -13.144 -4.649 -8.092 1.00 0.00 H new ATOM 0 HG2 GLU B 142 -11.933 -4.577 -5.869 1.00 0.00 H new ATOM 0 HG3 GLU B 142 -13.284 -3.660 -5.232 1.00 0.00 H new ATOM 1990 N SER B 143 -13.279 -1.568 -9.748 1.00 0.00 N ATOM 1991 CA SER B 143 -13.355 -1.293 -11.171 1.00 0.00 C ATOM 1992 C SER B 143 -11.994 -0.734 -11.684 1.00 0.00 C ATOM 1993 O SER B 143 -11.317 -1.352 -12.553 1.00 0.00 O ATOM 1994 CB SER B 143 -14.488 -0.307 -11.413 1.00 0.00 C ATOM 1995 OG SER B 143 -15.687 -0.769 -10.782 1.00 0.00 O ATOM 0 H SER B 143 -13.888 -0.987 -9.171 1.00 0.00 H new ATOM 0 HA SER B 143 -13.558 -2.210 -11.723 1.00 0.00 H new ATOM 0 HB2 SER B 143 -14.217 0.673 -11.022 1.00 0.00 H new ATOM 0 HB3 SER B 143 -14.654 -0.188 -12.484 1.00 0.00 H new ATOM 0 HG SER B 143 -16.409 -0.127 -10.942 1.00 0.00 H new ATOM 2001 N ILE B 144 -11.546 0.365 -11.088 1.00 0.00 N ATOM 2002 CA ILE B 144 -10.291 0.973 -11.489 1.00 0.00 C ATOM 2003 C ILE B 144 -9.113 0.128 -11.020 1.00 0.00 C ATOM 2004 O ILE B 144 -8.046 0.115 -11.627 1.00 0.00 O ATOM 2005 CB ILE B 144 -10.191 2.499 -11.100 1.00 0.00 C ATOM 2006 CG1 ILE B 144 -10.461 2.798 -9.594 1.00 0.00 C ATOM 2007 CG2 ILE B 144 -11.130 3.319 -11.967 1.00 0.00 C ATOM 2008 CD1 ILE B 144 -9.290 2.558 -8.661 1.00 0.00 C ATOM 0 H ILE B 144 -12.031 0.847 -10.332 1.00 0.00 H new ATOM 0 HA ILE B 144 -10.254 0.982 -12.578 1.00 0.00 H new ATOM 0 HB ILE B 144 -9.155 2.784 -11.280 1.00 0.00 H new ATOM 0 HG12 ILE B 144 -10.772 3.838 -9.498 1.00 0.00 H new ATOM 0 HG13 ILE B 144 -11.298 2.183 -9.264 1.00 0.00 H new ATOM 0 HG21 ILE B 144 -11.054 4.371 -11.691 1.00 0.00 H new ATOM 0 HG22 ILE B 144 -10.856 3.198 -13.015 1.00 0.00 H new ATOM 0 HG23 ILE B 144 -12.154 2.978 -11.818 1.00 0.00 H new ATOM 0 HD11 ILE B 144 -9.584 2.796 -7.639 1.00 0.00 H new ATOM 0 HD12 ILE B 144 -8.988 1.512 -8.717 1.00 0.00 H new ATOM 0 HD13 ILE B 144 -8.454 3.193 -8.955 1.00 0.00 H new ATOM 2020 N ILE B 145 -9.352 -0.624 -9.965 1.00 0.00 N ATOM 2021 CA ILE B 145 -8.404 -1.583 -9.464 1.00 0.00 C ATOM 2022 C ILE B 145 -8.297 -2.763 -10.406 1.00 0.00 C ATOM 2023 O ILE B 145 -7.246 -3.310 -10.559 1.00 0.00 O ATOM 2024 CB ILE B 145 -8.759 -2.036 -8.020 1.00 0.00 C ATOM 2025 CG1 ILE B 145 -8.463 -0.911 -7.010 1.00 0.00 C ATOM 2026 CG2 ILE B 145 -8.157 -3.392 -7.608 1.00 0.00 C ATOM 2027 CD1 ILE B 145 -7.057 -0.334 -7.090 1.00 0.00 C ATOM 0 H ILE B 145 -10.220 -0.582 -9.430 1.00 0.00 H new ATOM 0 HA ILE B 145 -7.428 -1.100 -9.414 1.00 0.00 H new ATOM 0 HB ILE B 145 -9.833 -2.223 -8.012 1.00 0.00 H new ATOM 0 HG12 ILE B 145 -9.180 -0.105 -7.165 1.00 0.00 H new ATOM 0 HG13 ILE B 145 -8.626 -1.294 -6.003 1.00 0.00 H new ATOM 0 HG21 ILE B 145 -8.456 -3.628 -6.587 1.00 0.00 H new ATOM 0 HG22 ILE B 145 -8.518 -4.170 -8.281 1.00 0.00 H new ATOM 0 HG23 ILE B 145 -7.070 -3.340 -7.664 1.00 0.00 H new ATOM 0 HD11 ILE B 145 -6.943 0.450 -6.342 1.00 0.00 H new ATOM 0 HD12 ILE B 145 -6.329 -1.123 -6.903 1.00 0.00 H new ATOM 0 HD13 ILE B 145 -6.891 0.084 -8.083 1.00 0.00 H new ATOM 2039 N ARG B 146 -9.396 -3.123 -11.052 1.00 0.00 N ATOM 2040 CA ARG B 146 -9.400 -4.205 -12.025 1.00 0.00 C ATOM 2041 C ARG B 146 -8.487 -3.830 -13.164 1.00 0.00 C ATOM 2042 O ARG B 146 -7.667 -4.639 -13.605 1.00 0.00 O ATOM 2043 CB ARG B 146 -10.813 -4.469 -12.565 1.00 0.00 C ATOM 2044 CG ARG B 146 -10.921 -5.672 -13.481 1.00 0.00 C ATOM 2045 CD ARG B 146 -10.620 -6.961 -12.737 1.00 0.00 C ATOM 2046 NE ARG B 146 -10.712 -8.121 -13.610 1.00 0.00 N ATOM 2047 CZ ARG B 146 -10.788 -9.393 -13.207 1.00 0.00 C ATOM 2048 NH1 ARG B 146 -10.810 -9.695 -11.906 1.00 0.00 N ATOM 2049 NH2 ARG B 146 -10.854 -10.355 -14.108 1.00 0.00 N ATOM 0 H ARG B 146 -10.304 -2.677 -10.918 1.00 0.00 H new ATOM 0 HA ARG B 146 -9.054 -5.116 -11.538 1.00 0.00 H new ATOM 0 HB2 ARG B 146 -11.490 -4.608 -11.722 1.00 0.00 H new ATOM 0 HB3 ARG B 146 -11.153 -3.585 -13.105 1.00 0.00 H new ATOM 0 HG2 ARG B 146 -11.924 -5.720 -13.905 1.00 0.00 H new ATOM 0 HG3 ARG B 146 -10.228 -5.560 -14.315 1.00 0.00 H new ATOM 0 HD2 ARG B 146 -9.620 -6.908 -12.307 1.00 0.00 H new ATOM 0 HD3 ARG B 146 -11.318 -7.074 -11.907 1.00 0.00 H new ATOM 0 HE ARG B 146 -10.719 -7.949 -14.615 1.00 0.00 H new ATOM 0 HH11 ARG B 146 -10.769 -8.951 -11.209 1.00 0.00 H new ATOM 0 HH12 ARG B 146 -10.868 -10.669 -11.610 1.00 0.00 H new ATOM 0 HH21 ARG B 146 -10.847 -10.125 -15.102 1.00 0.00 H new ATOM 0 HH22 ARG B 146 -10.912 -11.329 -13.811 1.00 0.00 H new ATOM 2063 N SER B 147 -8.617 -2.587 -13.607 1.00 0.00 N ATOM 2064 CA SER B 147 -7.761 -2.061 -14.655 1.00 0.00 C ATOM 2065 C SER B 147 -6.268 -2.143 -14.219 1.00 0.00 C ATOM 2066 O SER B 147 -5.409 -2.706 -14.930 1.00 0.00 O ATOM 2067 CB SER B 147 -8.179 -0.620 -14.927 1.00 0.00 C ATOM 2068 OG SER B 147 -9.592 -0.561 -15.144 1.00 0.00 O ATOM 0 H SER B 147 -9.309 -1.925 -13.255 1.00 0.00 H new ATOM 0 HA SER B 147 -7.866 -2.648 -15.567 1.00 0.00 H new ATOM 0 HB2 SER B 147 -7.904 0.014 -14.084 1.00 0.00 H new ATOM 0 HB3 SER B 147 -7.651 -0.236 -15.800 1.00 0.00 H new ATOM 0 HG SER B 147 -9.858 0.366 -15.317 1.00 0.00 H new ATOM 2074 N GLU B 148 -6.006 -1.634 -13.031 1.00 0.00 N ATOM 2075 CA GLU B 148 -4.690 -1.619 -12.405 1.00 0.00 C ATOM 2076 C GLU B 148 -4.106 -3.036 -12.194 1.00 0.00 C ATOM 2077 O GLU B 148 -2.950 -3.290 -12.518 1.00 0.00 O ATOM 2078 CB GLU B 148 -4.821 -0.861 -11.079 1.00 0.00 C ATOM 2079 CG GLU B 148 -3.701 -1.039 -10.068 1.00 0.00 C ATOM 2080 CD GLU B 148 -2.343 -0.538 -10.491 1.00 0.00 C ATOM 2081 OE1 GLU B 148 -2.080 0.675 -10.352 1.00 0.00 O ATOM 2082 OE2 GLU B 148 -1.486 -1.345 -10.877 1.00 0.00 O ATOM 0 H GLU B 148 -6.726 -1.203 -12.451 1.00 0.00 H new ATOM 0 HA GLU B 148 -3.983 -1.119 -13.067 1.00 0.00 H new ATOM 0 HB2 GLU B 148 -4.908 0.202 -11.304 1.00 0.00 H new ATOM 0 HB3 GLU B 148 -5.755 -1.165 -10.606 1.00 0.00 H new ATOM 0 HG2 GLU B 148 -3.984 -0.528 -9.148 1.00 0.00 H new ATOM 0 HG3 GLU B 148 -3.617 -2.100 -9.831 1.00 0.00 H new ATOM 2089 N LEU B 149 -4.897 -3.949 -11.664 1.00 0.00 N ATOM 2090 CA LEU B 149 -4.406 -5.273 -11.359 1.00 0.00 C ATOM 2091 C LEU B 149 -4.147 -6.076 -12.621 1.00 0.00 C ATOM 2092 O LEU B 149 -3.245 -6.905 -12.658 1.00 0.00 O ATOM 2093 CB LEU B 149 -5.305 -6.044 -10.326 1.00 0.00 C ATOM 2094 CG LEU B 149 -6.760 -6.397 -10.712 1.00 0.00 C ATOM 2095 CD1 LEU B 149 -6.843 -7.590 -11.662 1.00 0.00 C ATOM 2096 CD2 LEU B 149 -7.587 -6.650 -9.472 1.00 0.00 C ATOM 0 H LEU B 149 -5.880 -3.796 -11.437 1.00 0.00 H new ATOM 0 HA LEU B 149 -3.446 -5.139 -10.860 1.00 0.00 H new ATOM 0 HB2 LEU B 149 -4.796 -6.975 -10.078 1.00 0.00 H new ATOM 0 HB3 LEU B 149 -5.342 -5.448 -9.414 1.00 0.00 H new ATOM 0 HG LEU B 149 -7.165 -5.538 -11.246 1.00 0.00 H new ATOM 0 HD11 LEU B 149 -7.887 -7.794 -11.900 1.00 0.00 H new ATOM 0 HD12 LEU B 149 -6.300 -7.363 -12.579 1.00 0.00 H new ATOM 0 HD13 LEU B 149 -6.402 -8.466 -11.186 1.00 0.00 H new ATOM 0 HD21 LEU B 149 -8.609 -6.897 -9.760 1.00 0.00 H new ATOM 0 HD22 LEU B 149 -7.157 -7.480 -8.911 1.00 0.00 H new ATOM 0 HD23 LEU B 149 -7.592 -5.755 -8.849 1.00 0.00 H new ATOM 2108 N MET B 150 -4.927 -5.801 -13.661 1.00 0.00 N ATOM 2109 CA MET B 150 -4.805 -6.523 -14.907 1.00 0.00 C ATOM 2110 C MET B 150 -3.588 -6.051 -15.677 1.00 0.00 C ATOM 2111 O MET B 150 -2.726 -6.858 -16.052 1.00 0.00 O ATOM 2112 CB MET B 150 -6.068 -6.380 -15.760 1.00 0.00 C ATOM 2113 CG MET B 150 -6.047 -7.229 -17.025 1.00 0.00 C ATOM 2114 SD MET B 150 -5.895 -9.004 -16.677 1.00 0.00 S ATOM 2115 CE MET B 150 -7.409 -9.313 -15.758 1.00 0.00 C ATOM 0 H MET B 150 -5.649 -5.081 -13.658 1.00 0.00 H new ATOM 0 HA MET B 150 -4.681 -7.580 -14.670 1.00 0.00 H new ATOM 0 HB2 MET B 150 -6.935 -6.657 -15.160 1.00 0.00 H new ATOM 0 HB3 MET B 150 -6.193 -5.333 -16.037 1.00 0.00 H new ATOM 0 HG2 MET B 150 -6.961 -7.051 -17.592 1.00 0.00 H new ATOM 0 HG3 MET B 150 -5.215 -6.914 -17.655 1.00 0.00 H new ATOM 0 HE1 MET B 150 -7.600 -10.386 -15.722 1.00 0.00 H new ATOM 0 HE2 MET B 150 -7.304 -8.928 -14.744 1.00 0.00 H new ATOM 0 HE3 MET B 150 -8.242 -8.813 -16.251 1.00 0.00 H new