USER MOD reduce.3.24.130724 H: found=0, std=0, add=801, rem=0, adj=28 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=-0.00131 X(o=-1,f=-1) USER MOD Set 1.2: B 112 GLN : amide:sc= -1.03 X(o=-1,f=-1.5) USER MOD Set 2.1: A 73 TYR OH : rot 180:sc= 0.782 USER MOD Set 2.2: A 77 LYS NZ :NH3+ 150:sc= 1.72 (180deg=0.0539) USER MOD Set 3.1: A 65 TYR OH : rot 152:sc= 0.544 USER MOD Set 3.2: B 116 THR OG1 : rot -38:sc= 1.19 USER MOD Set 4.1: A 7 HIS :FLIP no HD1:sc= 0.465 F(o=0,f=0.97) USER MOD Set 4.2: A 55 TYR OH : rot -141:sc= 0.506 USER MOD Set 5.1: A 46 TYR OH : rot -147:sc= 2.25 USER MOD Set 5.2: A 71 LYS NZ :NH3+ -148:sc= 1.5 (180deg=-0.568!) USER MOD Set 6.1: A 20 HIS : no HE2:sc= 0.00565 K(o=-0.26,f=-2.2) USER MOD Set 6.2: A 24 GLN : amide:sc= -0.266 K(o=-0.26,f=-4.2!) USER MOD Single : A 9 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 GLN :FLIP amide:sc= -0.0619 F(o=-1.7,f=-0.062) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 17 HIS : no HE2:sc= -3.69! C(o=-3.7!,f=-8!) USER MOD Single : A 21 LYS NZ :NH3+ -157:sc= 1.05 (180deg=0.423) USER MOD Single : A 29 THR OG1 : rot -123:sc= -0.446 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 MET CE :methyl -132:sc= -3.35! (180deg=-7.62!) USER MOD Single : A 42 ASN : amide:sc= -0.243 K(o=-0.24,f=-3.9!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ 168:sc= 1.21 (180deg=1.12) USER MOD Single : A 54 MET CE :methyl 165:sc= -1.62 (180deg=-2.48!) USER MOD Single : A 57 SER OG : rot 97:sc= 1.26 USER MOD Single : A 59 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 60 SER OG : rot 180:sc= -0.0465 USER MOD Single : A 64 TYR OH : rot 35:sc= 0.931 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 GLN : amide:sc= -0.177 K(o=-0.18,f=-1.6!) USER MOD Single : A 82 LYS NZ :NH3+ -133:sc= 1.02 (180deg=0.0556) USER MOD Single : B 110 THR OG1 : rot 180:sc= 0 USER MOD Single : B 117 SER OG : rot 92:sc= 1.24 USER MOD Single : B 119 SER OG : rot -89:sc= 1.26 USER MOD Single : B 141 MET CE :methyl 149:sc= -2.22! (180deg=-4.93!) USER MOD Single : B 143 SER OG : rot 180:sc= 0 USER MOD Single : B 147 SER OG : rot 180:sc= 0 USER MOD Single : B 150 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 72 N GLY A 5 22.738 -0.822 -4.878 1.00 0.00 N ATOM 73 CA GLY A 5 23.259 -1.148 -3.543 1.00 0.00 C ATOM 74 C GLY A 5 22.334 -0.869 -2.369 1.00 0.00 C ATOM 75 O GLY A 5 22.611 -1.295 -1.242 1.00 0.00 O ATOM 0 HA2 GLY A 5 23.521 -2.206 -3.528 1.00 0.00 H new ATOM 0 HA3 GLY A 5 24.182 -0.589 -3.391 1.00 0.00 H new ATOM 79 N TRP A 6 21.221 -0.216 -2.601 1.00 0.00 N ATOM 80 CA TRP A 6 20.293 0.067 -1.512 1.00 0.00 C ATOM 81 C TRP A 6 19.449 -1.170 -1.209 1.00 0.00 C ATOM 82 O TRP A 6 18.654 -1.200 -0.268 1.00 0.00 O ATOM 83 CB TRP A 6 19.419 1.293 -1.815 1.00 0.00 C ATOM 84 CG TRP A 6 18.618 1.205 -3.076 1.00 0.00 C ATOM 85 CD1 TRP A 6 18.990 1.648 -4.304 1.00 0.00 C ATOM 86 CD2 TRP A 6 17.303 0.660 -3.226 1.00 0.00 C ATOM 87 NE1 TRP A 6 17.984 1.431 -5.202 1.00 0.00 N ATOM 88 CE2 TRP A 6 16.937 0.821 -4.563 1.00 0.00 C ATOM 89 CE3 TRP A 6 16.405 0.060 -2.358 1.00 0.00 C ATOM 90 CZ2 TRP A 6 15.707 0.402 -5.051 1.00 0.00 C ATOM 91 CZ3 TRP A 6 15.185 -0.357 -2.843 1.00 0.00 C ATOM 92 CH2 TRP A 6 14.848 -0.182 -4.173 1.00 0.00 C ATOM 0 H TRP A 6 20.931 0.128 -3.516 1.00 0.00 H new ATOM 0 HA TRP A 6 20.872 0.312 -0.622 1.00 0.00 H new ATOM 0 HB2 TRP A 6 18.737 1.449 -0.979 1.00 0.00 H new ATOM 0 HB3 TRP A 6 20.061 2.172 -1.871 1.00 0.00 H new ATOM 0 HD1 TRP A 6 19.941 2.104 -4.537 1.00 0.00 H new ATOM 0 HE1 TRP A 6 18.008 1.683 -6.190 1.00 0.00 H new ATOM 0 HE3 TRP A 6 16.658 -0.079 -1.317 1.00 0.00 H new ATOM 0 HZ2 TRP A 6 15.442 0.535 -6.089 1.00 0.00 H new ATOM 0 HZ3 TRP A 6 14.480 -0.828 -2.174 1.00 0.00 H new ATOM 0 HH2 TRP A 6 13.882 -0.516 -4.522 1.00 0.00 H new ATOM 103 N HIS A 7 19.682 -2.184 -2.011 1.00 0.00 N ATOM 104 CA HIS A 7 19.040 -3.489 -1.947 1.00 0.00 C ATOM 105 C HIS A 7 19.352 -4.129 -0.583 1.00 0.00 C ATOM 106 O HIS A 7 18.538 -4.844 -0.011 1.00 0.00 O ATOM 107 CB HIS A 7 19.674 -4.330 -3.059 1.00 0.00 C ATOM 108 CG HIS A 7 18.861 -5.431 -3.632 1.00 0.00 C ATOM 109 ND1 HIS A 7 17.974 -5.388 -4.641 1.00 0.00 N flip ATOM 110 CD2 HIS A 7 18.971 -6.755 -3.273 1.00 0.00 C flip ATOM 111 CE1 HIS A 7 17.532 -6.680 -4.921 1.00 0.00 C flip ATOM 112 NE2 HIS A 7 18.169 -7.464 -4.068 1.00 0.00 N flip ATOM 0 H HIS A 7 20.361 -2.123 -2.769 1.00 0.00 H new ATOM 0 HA HIS A 7 17.959 -3.419 -2.066 1.00 0.00 H new ATOM 0 HB2 HIS A 7 19.952 -3.659 -3.872 1.00 0.00 H new ATOM 0 HB3 HIS A 7 20.597 -4.760 -2.671 1.00 0.00 H new ATOM 0 HD2 HIS A 7 19.597 -7.150 -2.486 1.00 0.00 H new ATOM 0 HE1 HIS A 7 16.819 -6.978 -5.676 1.00 0.00 H new ATOM 0 HE2 HIS A 7 18.061 -8.477 -4.024 1.00 0.00 H new ATOM 120 N GLU A 8 20.536 -3.820 -0.068 1.00 0.00 N ATOM 121 CA GLU A 8 21.005 -4.342 1.211 1.00 0.00 C ATOM 122 C GLU A 8 20.430 -3.539 2.379 1.00 0.00 C ATOM 123 O GLU A 8 20.663 -3.860 3.537 1.00 0.00 O ATOM 124 CB GLU A 8 22.535 -4.286 1.269 1.00 0.00 C ATOM 125 CG GLU A 8 23.233 -5.090 0.188 1.00 0.00 C ATOM 126 CD GLU A 8 24.736 -5.002 0.285 1.00 0.00 C ATOM 127 OE1 GLU A 8 25.336 -5.693 1.133 1.00 0.00 O ATOM 128 OE2 GLU A 8 25.355 -4.240 -0.491 1.00 0.00 O ATOM 0 H GLU A 8 21.201 -3.198 -0.527 1.00 0.00 H new ATOM 0 HA GLU A 8 20.667 -5.375 1.296 1.00 0.00 H new ATOM 0 HB2 GLU A 8 22.852 -3.246 1.193 1.00 0.00 H new ATOM 0 HB3 GLU A 8 22.863 -4.648 2.243 1.00 0.00 H new ATOM 0 HG2 GLU A 8 22.928 -6.134 0.261 1.00 0.00 H new ATOM 0 HG3 GLU A 8 22.913 -4.732 -0.791 1.00 0.00 H new ATOM 135 N HIS A 9 19.702 -2.487 2.072 1.00 0.00 N ATOM 136 CA HIS A 9 19.142 -1.629 3.106 1.00 0.00 C ATOM 137 C HIS A 9 17.654 -1.781 3.204 1.00 0.00 C ATOM 138 O HIS A 9 17.032 -1.372 4.186 1.00 0.00 O ATOM 139 CB HIS A 9 19.532 -0.168 2.887 1.00 0.00 C ATOM 140 CG HIS A 9 20.988 0.082 3.125 1.00 0.00 C ATOM 141 ND1 HIS A 9 21.497 0.647 4.269 1.00 0.00 N ATOM 142 CD2 HIS A 9 22.058 -0.217 2.351 1.00 0.00 C ATOM 143 CE1 HIS A 9 22.826 0.669 4.164 1.00 0.00 C ATOM 144 NE2 HIS A 9 23.218 0.152 3.011 1.00 0.00 N ATOM 0 H HIS A 9 19.482 -2.202 1.118 1.00 0.00 H new ATOM 0 HA HIS A 9 19.568 -1.949 4.057 1.00 0.00 H new ATOM 0 HB2 HIS A 9 19.279 0.122 1.867 1.00 0.00 H new ATOM 0 HB3 HIS A 9 18.945 0.464 3.553 1.00 0.00 H new ATOM 0 HD2 HIS A 9 22.014 -0.672 1.372 1.00 0.00 H new ATOM 0 HE1 HIS A 9 23.493 1.057 4.919 1.00 0.00 H new ATOM 0 HE2 HIS A 9 24.176 0.047 2.677 1.00 0.00 H new ATOM 152 N VAL A 10 17.081 -2.363 2.204 1.00 0.00 N ATOM 153 CA VAL A 10 15.683 -2.584 2.192 1.00 0.00 C ATOM 154 C VAL A 10 15.423 -4.047 2.539 1.00 0.00 C ATOM 155 O VAL A 10 15.766 -4.973 1.788 1.00 0.00 O ATOM 156 CB VAL A 10 15.080 -2.154 0.823 1.00 0.00 C ATOM 157 CG1 VAL A 10 15.676 -2.893 -0.351 1.00 0.00 C ATOM 158 CG2 VAL A 10 13.555 -2.166 0.827 1.00 0.00 C ATOM 0 H VAL A 10 17.573 -2.697 1.375 1.00 0.00 H new ATOM 0 HA VAL A 10 15.182 -1.971 2.942 1.00 0.00 H new ATOM 0 HB VAL A 10 15.373 -1.114 0.682 1.00 0.00 H new ATOM 0 HG11 VAL A 10 15.211 -2.545 -1.274 1.00 0.00 H new ATOM 0 HG12 VAL A 10 16.749 -2.706 -0.392 1.00 0.00 H new ATOM 0 HG13 VAL A 10 15.498 -3.962 -0.236 1.00 0.00 H new ATOM 0 HG21 VAL A 10 13.186 -1.858 -0.151 1.00 0.00 H new ATOM 0 HG22 VAL A 10 13.200 -3.172 1.049 1.00 0.00 H new ATOM 0 HG23 VAL A 10 13.188 -1.476 1.587 1.00 0.00 H new ATOM 168 N THR A 11 14.889 -4.242 3.699 1.00 0.00 N ATOM 169 CA THR A 11 14.651 -5.548 4.215 1.00 0.00 C ATOM 170 C THR A 11 13.366 -6.117 3.635 1.00 0.00 C ATOM 171 O THR A 11 12.435 -5.350 3.317 1.00 0.00 O ATOM 172 CB THR A 11 14.522 -5.467 5.733 1.00 0.00 C ATOM 173 OG1 THR A 11 15.579 -4.632 6.244 1.00 0.00 O ATOM 174 CG2 THR A 11 14.645 -6.846 6.343 1.00 0.00 C ATOM 0 H THR A 11 14.602 -3.488 4.323 1.00 0.00 H new ATOM 0 HA THR A 11 15.482 -6.198 3.941 1.00 0.00 H new ATOM 0 HB THR A 11 13.548 -5.050 5.990 1.00 0.00 H new ATOM 0 HG1 THR A 11 15.505 -4.571 7.219 1.00 0.00 H new ATOM 0 HG21 THR A 11 14.551 -6.774 7.427 1.00 0.00 H new ATOM 0 HG22 THR A 11 13.856 -7.488 5.952 1.00 0.00 H new ATOM 0 HG23 THR A 11 15.617 -7.270 6.090 1.00 0.00 H new ATOM 182 N GLN A 12 13.304 -7.446 3.508 1.00 0.00 N ATOM 183 CA GLN A 12 12.119 -8.128 3.017 1.00 0.00 C ATOM 184 C GLN A 12 10.916 -7.763 3.867 1.00 0.00 C ATOM 185 O GLN A 12 9.841 -7.525 3.351 1.00 0.00 O ATOM 186 CB GLN A 12 12.316 -9.666 2.954 1.00 0.00 C ATOM 187 CG GLN A 12 11.081 -10.425 2.439 1.00 0.00 C ATOM 188 CD GLN A 12 10.281 -11.179 3.522 1.00 0.00 C ATOM 189 OE1 GLN A 12 10.370 -10.762 4.761 1.00 0.00 O flip ATOM 190 NE2 GLN A 12 9.620 -12.171 3.228 1.00 0.00 N flip ATOM 0 H GLN A 12 14.075 -8.071 3.744 1.00 0.00 H new ATOM 0 HA GLN A 12 11.940 -7.793 1.995 1.00 0.00 H new ATOM 0 HB2 GLN A 12 13.165 -9.889 2.307 1.00 0.00 H new ATOM 0 HB3 GLN A 12 12.568 -10.033 3.949 1.00 0.00 H new ATOM 0 HG2 GLN A 12 10.417 -9.715 1.946 1.00 0.00 H new ATOM 0 HG3 GLN A 12 11.402 -11.140 1.682 1.00 0.00 H new ATOM 0 HE21 GLN A 12 9.565 -12.478 2.257 1.00 0.00 H new ATOM 0 HE22 GLN A 12 9.126 -12.689 3.955 1.00 0.00 H new ATOM 199 N ASP A 13 11.122 -7.675 5.168 1.00 0.00 N ATOM 200 CA ASP A 13 10.048 -7.319 6.096 1.00 0.00 C ATOM 201 C ASP A 13 9.537 -5.919 5.854 1.00 0.00 C ATOM 202 O ASP A 13 8.354 -5.684 5.927 1.00 0.00 O ATOM 203 CB ASP A 13 10.473 -7.466 7.560 1.00 0.00 C ATOM 204 CG ASP A 13 10.711 -8.893 7.961 1.00 0.00 C ATOM 205 OD1 ASP A 13 11.827 -9.395 7.762 1.00 0.00 O ATOM 206 OD2 ASP A 13 9.781 -9.556 8.462 1.00 0.00 O ATOM 0 H ASP A 13 12.024 -7.844 5.614 1.00 0.00 H new ATOM 0 HA ASP A 13 9.240 -8.025 5.902 1.00 0.00 H new ATOM 0 HB2 ASP A 13 11.383 -6.890 7.728 1.00 0.00 H new ATOM 0 HB3 ASP A 13 9.702 -7.038 8.201 1.00 0.00 H new ATOM 211 N LEU A 14 10.424 -5.019 5.442 1.00 0.00 N ATOM 212 CA LEU A 14 10.059 -3.612 5.283 1.00 0.00 C ATOM 213 C LEU A 14 9.209 -3.487 4.050 1.00 0.00 C ATOM 214 O LEU A 14 8.127 -2.920 4.074 1.00 0.00 O ATOM 215 CB LEU A 14 11.351 -2.728 5.194 1.00 0.00 C ATOM 216 CG LEU A 14 11.217 -1.170 5.070 1.00 0.00 C ATOM 217 CD1 LEU A 14 10.848 -0.733 3.681 1.00 0.00 C ATOM 218 CD2 LEU A 14 10.193 -0.613 6.032 1.00 0.00 C ATOM 0 H LEU A 14 11.394 -5.234 5.213 1.00 0.00 H new ATOM 0 HA LEU A 14 9.490 -3.259 6.143 1.00 0.00 H new ATOM 0 HB2 LEU A 14 11.949 -2.934 6.082 1.00 0.00 H new ATOM 0 HB3 LEU A 14 11.925 -3.075 4.335 1.00 0.00 H new ATOM 0 HG LEU A 14 12.203 -0.777 5.316 1.00 0.00 H new ATOM 0 HD11 LEU A 14 10.768 0.354 3.651 1.00 0.00 H new ATOM 0 HD12 LEU A 14 11.616 -1.060 2.980 1.00 0.00 H new ATOM 0 HD13 LEU A 14 9.891 -1.175 3.403 1.00 0.00 H new ATOM 0 HD21 LEU A 14 10.132 0.469 5.913 1.00 0.00 H new ATOM 0 HD22 LEU A 14 9.219 -1.056 5.824 1.00 0.00 H new ATOM 0 HD23 LEU A 14 10.488 -0.849 7.054 1.00 0.00 H new ATOM 230 N ARG A 15 9.681 -4.084 3.001 1.00 0.00 N ATOM 231 CA ARG A 15 9.013 -4.019 1.736 1.00 0.00 C ATOM 232 C ARG A 15 7.712 -4.799 1.732 1.00 0.00 C ATOM 233 O ARG A 15 6.704 -4.319 1.243 1.00 0.00 O ATOM 234 CB ARG A 15 9.928 -4.472 0.642 1.00 0.00 C ATOM 235 CG ARG A 15 10.481 -5.840 0.792 1.00 0.00 C ATOM 236 CD ARG A 15 11.491 -6.081 -0.256 1.00 0.00 C ATOM 237 NE ARG A 15 10.916 -5.854 -1.604 1.00 0.00 N ATOM 238 CZ ARG A 15 11.298 -6.434 -2.732 1.00 0.00 C ATOM 239 NH1 ARG A 15 12.318 -7.281 -2.741 1.00 0.00 N ATOM 240 NH2 ARG A 15 10.636 -6.169 -3.852 1.00 0.00 N ATOM 0 H ARG A 15 10.542 -4.631 2.996 1.00 0.00 H new ATOM 0 HA ARG A 15 8.747 -2.978 1.555 1.00 0.00 H new ATOM 0 HB2 ARG A 15 9.388 -4.420 -0.303 1.00 0.00 H new ATOM 0 HB3 ARG A 15 10.759 -3.770 0.574 1.00 0.00 H new ATOM 0 HG2 ARG A 15 10.930 -5.956 1.778 1.00 0.00 H new ATOM 0 HG3 ARG A 15 9.681 -6.577 0.718 1.00 0.00 H new ATOM 0 HD2 ARG A 15 12.344 -5.420 -0.104 1.00 0.00 H new ATOM 0 HD3 ARG A 15 11.862 -7.103 -0.181 1.00 0.00 H new ATOM 0 HE ARG A 15 10.150 -5.184 -1.669 1.00 0.00 H new ATOM 0 HH11 ARG A 15 12.815 -7.490 -1.875 1.00 0.00 H new ATOM 0 HH12 ARG A 15 12.606 -7.723 -3.614 1.00 0.00 H new ATOM 0 HH21 ARG A 15 9.844 -5.526 -3.837 1.00 0.00 H new ATOM 0 HH22 ARG A 15 10.919 -6.608 -4.728 1.00 0.00 H new ATOM 254 N SER A 16 7.716 -5.975 2.337 1.00 0.00 N ATOM 255 CA SER A 16 6.530 -6.787 2.392 1.00 0.00 C ATOM 256 C SER A 16 5.513 -6.130 3.328 1.00 0.00 C ATOM 257 O SER A 16 4.308 -6.345 3.207 1.00 0.00 O ATOM 258 CB SER A 16 6.882 -8.219 2.825 1.00 0.00 C ATOM 259 OG SER A 16 5.754 -9.084 2.820 1.00 0.00 O ATOM 0 H SER A 16 8.532 -6.382 2.795 1.00 0.00 H new ATOM 0 HA SER A 16 6.080 -6.859 1.402 1.00 0.00 H new ATOM 0 HB2 SER A 16 7.645 -8.619 2.158 1.00 0.00 H new ATOM 0 HB3 SER A 16 7.314 -8.196 3.826 1.00 0.00 H new ATOM 0 HG SER A 16 6.029 -9.982 3.101 1.00 0.00 H new ATOM 265 N HIS A 17 6.005 -5.295 4.238 1.00 0.00 N ATOM 266 CA HIS A 17 5.138 -4.541 5.097 1.00 0.00 C ATOM 267 C HIS A 17 4.434 -3.457 4.275 1.00 0.00 C ATOM 268 O HIS A 17 3.240 -3.198 4.447 1.00 0.00 O ATOM 269 CB HIS A 17 5.918 -3.894 6.230 1.00 0.00 C ATOM 270 CG HIS A 17 5.023 -3.353 7.259 1.00 0.00 C ATOM 271 ND1 HIS A 17 4.711 -4.011 8.403 1.00 0.00 N ATOM 272 CD2 HIS A 17 4.302 -2.224 7.260 1.00 0.00 C ATOM 273 CE1 HIS A 17 3.816 -3.300 9.048 1.00 0.00 C ATOM 274 NE2 HIS A 17 3.525 -2.194 8.391 1.00 0.00 N ATOM 0 H HIS A 17 7.001 -5.133 4.389 1.00 0.00 H new ATOM 0 HA HIS A 17 4.404 -5.219 5.532 1.00 0.00 H new ATOM 0 HB2 HIS A 17 6.587 -4.628 6.678 1.00 0.00 H new ATOM 0 HB3 HIS A 17 6.543 -3.094 5.833 1.00 0.00 H new ATOM 0 HD1 HIS A 17 5.103 -4.902 8.708 1.00 0.00 H new ATOM 0 HD2 HIS A 17 4.328 -1.462 6.495 1.00 0.00 H new ATOM 0 HE1 HIS A 17 3.376 -3.583 9.993 1.00 0.00 H new ATOM 282 N LEU A 18 5.188 -2.817 3.407 1.00 0.00 N ATOM 283 CA LEU A 18 4.651 -1.815 2.498 1.00 0.00 C ATOM 284 C LEU A 18 3.614 -2.469 1.569 1.00 0.00 C ATOM 285 O LEU A 18 2.560 -1.895 1.302 1.00 0.00 O ATOM 286 CB LEU A 18 5.805 -1.104 1.735 1.00 0.00 C ATOM 287 CG LEU A 18 6.518 0.113 2.447 1.00 0.00 C ATOM 288 CD1 LEU A 18 6.645 -0.066 3.961 1.00 0.00 C ATOM 289 CD2 LEU A 18 7.912 0.294 1.877 1.00 0.00 C ATOM 0 H LEU A 18 6.191 -2.973 3.308 1.00 0.00 H new ATOM 0 HA LEU A 18 4.132 -1.035 3.056 1.00 0.00 H new ATOM 0 HB2 LEU A 18 6.565 -1.851 1.506 1.00 0.00 H new ATOM 0 HB3 LEU A 18 5.409 -0.750 0.783 1.00 0.00 H new ATOM 0 HG LEU A 18 5.892 0.986 2.261 1.00 0.00 H new ATOM 0 HD11 LEU A 18 7.143 0.804 4.390 1.00 0.00 H new ATOM 0 HD12 LEU A 18 5.653 -0.169 4.400 1.00 0.00 H new ATOM 0 HD13 LEU A 18 7.230 -0.961 4.174 1.00 0.00 H new ATOM 0 HD21 LEU A 18 8.401 1.134 2.370 1.00 0.00 H new ATOM 0 HD22 LEU A 18 8.494 -0.613 2.043 1.00 0.00 H new ATOM 0 HD23 LEU A 18 7.845 0.491 0.807 1.00 0.00 H new ATOM 301 N VAL A 19 3.901 -3.705 1.149 1.00 0.00 N ATOM 302 CA VAL A 19 2.951 -4.541 0.384 1.00 0.00 C ATOM 303 C VAL A 19 1.679 -4.775 1.224 1.00 0.00 C ATOM 304 O VAL A 19 0.555 -4.595 0.746 1.00 0.00 O ATOM 305 CB VAL A 19 3.571 -5.935 0.041 1.00 0.00 C ATOM 306 CG1 VAL A 19 2.586 -6.818 -0.670 1.00 0.00 C ATOM 307 CG2 VAL A 19 4.813 -5.801 -0.794 1.00 0.00 C ATOM 0 H VAL A 19 4.796 -4.160 1.326 1.00 0.00 H new ATOM 0 HA VAL A 19 2.716 -4.016 -0.542 1.00 0.00 H new ATOM 0 HB VAL A 19 3.836 -6.396 0.992 1.00 0.00 H new ATOM 0 HG11 VAL A 19 3.052 -7.778 -0.892 1.00 0.00 H new ATOM 0 HG12 VAL A 19 1.715 -6.976 -0.035 1.00 0.00 H new ATOM 0 HG13 VAL A 19 2.275 -6.342 -1.600 1.00 0.00 H new ATOM 0 HG21 VAL A 19 5.214 -6.791 -1.011 1.00 0.00 H new ATOM 0 HG22 VAL A 19 4.570 -5.295 -1.728 1.00 0.00 H new ATOM 0 HG23 VAL A 19 5.557 -5.220 -0.249 1.00 0.00 H new ATOM 317 N HIS A 20 1.892 -5.179 2.470 1.00 0.00 N ATOM 318 CA HIS A 20 0.830 -5.400 3.446 1.00 0.00 C ATOM 319 C HIS A 20 -0.065 -4.168 3.558 1.00 0.00 C ATOM 320 O HIS A 20 -1.293 -4.274 3.533 1.00 0.00 O ATOM 321 CB HIS A 20 1.460 -5.775 4.813 1.00 0.00 C ATOM 322 CG HIS A 20 0.551 -5.661 6.000 1.00 0.00 C ATOM 323 ND1 HIS A 20 0.792 -4.807 7.054 1.00 0.00 N ATOM 324 CD2 HIS A 20 -0.609 -6.292 6.280 1.00 0.00 C ATOM 325 CE1 HIS A 20 -0.199 -4.929 7.924 1.00 0.00 C ATOM 326 NE2 HIS A 20 -1.095 -5.824 7.513 1.00 0.00 N ATOM 0 H HIS A 20 2.825 -5.366 2.838 1.00 0.00 H new ATOM 0 HA HIS A 20 0.199 -6.226 3.117 1.00 0.00 H new ATOM 0 HB2 HIS A 20 1.825 -6.800 4.755 1.00 0.00 H new ATOM 0 HB3 HIS A 20 2.328 -5.137 4.980 1.00 0.00 H new ATOM 0 HD1 HIS A 20 1.596 -4.187 7.148 1.00 0.00 H new ATOM 0 HD2 HIS A 20 -1.086 -7.035 5.658 1.00 0.00 H new ATOM 0 HE1 HIS A 20 -0.271 -4.374 8.848 1.00 0.00 H new ATOM 334 N LYS A 21 0.548 -3.013 3.663 1.00 0.00 N ATOM 335 CA LYS A 21 -0.190 -1.780 3.734 1.00 0.00 C ATOM 336 C LYS A 21 -0.937 -1.489 2.462 1.00 0.00 C ATOM 337 O LYS A 21 -2.062 -1.026 2.521 1.00 0.00 O ATOM 338 CB LYS A 21 0.681 -0.615 4.170 1.00 0.00 C ATOM 339 CG LYS A 21 0.924 -0.611 5.660 1.00 0.00 C ATOM 340 CD LYS A 21 1.856 0.489 6.082 1.00 0.00 C ATOM 341 CE LYS A 21 1.941 0.571 7.592 1.00 0.00 C ATOM 342 NZ LYS A 21 0.640 0.910 8.212 1.00 0.00 N ATOM 0 H LYS A 21 1.561 -2.904 3.701 1.00 0.00 H new ATOM 0 HA LYS A 21 -0.943 -1.912 4.511 1.00 0.00 H new ATOM 0 HB2 LYS A 21 1.637 -0.663 3.648 1.00 0.00 H new ATOM 0 HB3 LYS A 21 0.205 0.321 3.879 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -0.027 -0.498 6.181 1.00 0.00 H new ATOM 0 HG3 LYS A 21 1.340 -1.572 5.961 1.00 0.00 H new ATOM 0 HD2 LYS A 21 2.848 0.311 5.666 1.00 0.00 H new ATOM 0 HD3 LYS A 21 1.508 1.441 5.680 1.00 0.00 H new ATOM 0 HE2 LYS A 21 2.291 -0.383 7.986 1.00 0.00 H new ATOM 0 HE3 LYS A 21 2.680 1.322 7.872 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 0.801 1.330 9.150 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 0.135 1.591 7.610 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 0.068 0.047 8.313 1.00 0.00 H new ATOM 356 N LEU A 22 -0.320 -1.773 1.314 1.00 0.00 N ATOM 357 CA LEU A 22 -0.979 -1.613 0.012 1.00 0.00 C ATOM 358 C LEU A 22 -2.280 -2.401 -0.017 1.00 0.00 C ATOM 359 O LEU A 22 -3.311 -1.881 -0.426 1.00 0.00 O ATOM 360 CB LEU A 22 -0.050 -2.044 -1.136 1.00 0.00 C ATOM 361 CG LEU A 22 1.152 -1.135 -1.426 1.00 0.00 C ATOM 362 CD1 LEU A 22 2.101 -1.803 -2.407 1.00 0.00 C ATOM 363 CD2 LEU A 22 0.678 0.158 -2.029 1.00 0.00 C ATOM 0 H LEU A 22 0.639 -2.116 1.257 1.00 0.00 H new ATOM 0 HA LEU A 22 -1.209 -0.557 -0.130 1.00 0.00 H new ATOM 0 HB2 LEU A 22 0.324 -3.043 -0.914 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -0.646 -2.121 -2.045 1.00 0.00 H new ATOM 0 HG LEU A 22 1.671 -0.947 -0.486 1.00 0.00 H new ATOM 0 HD11 LEU A 22 2.947 -1.144 -2.601 1.00 0.00 H new ATOM 0 HD12 LEU A 22 2.461 -2.741 -1.984 1.00 0.00 H new ATOM 0 HD13 LEU A 22 1.576 -2.004 -3.341 1.00 0.00 H new ATOM 0 HD21 LEU A 22 1.535 0.800 -2.233 1.00 0.00 H new ATOM 0 HD22 LEU A 22 0.148 -0.047 -2.959 1.00 0.00 H new ATOM 0 HD23 LEU A 22 0.007 0.660 -1.332 1.00 0.00 H new ATOM 375 N VAL A 23 -2.215 -3.637 0.462 1.00 0.00 N ATOM 376 CA VAL A 23 -3.385 -4.499 0.610 1.00 0.00 C ATOM 377 C VAL A 23 -4.415 -3.877 1.561 1.00 0.00 C ATOM 378 O VAL A 23 -5.561 -3.690 1.200 1.00 0.00 O ATOM 379 CB VAL A 23 -2.970 -5.887 1.161 1.00 0.00 C ATOM 380 CG1 VAL A 23 -4.176 -6.656 1.664 1.00 0.00 C ATOM 381 CG2 VAL A 23 -2.283 -6.687 0.083 1.00 0.00 C ATOM 0 H VAL A 23 -1.343 -4.074 0.761 1.00 0.00 H new ATOM 0 HA VAL A 23 -3.833 -4.612 -0.377 1.00 0.00 H new ATOM 0 HB VAL A 23 -2.285 -5.727 1.994 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -3.856 -7.626 2.045 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -4.659 -6.094 2.463 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -4.881 -6.802 0.846 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -1.995 -7.661 0.480 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -2.963 -6.824 -0.758 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -1.393 -6.155 -0.254 1.00 0.00 H new ATOM 391 N GLN A 24 -3.978 -3.550 2.761 1.00 0.00 N ATOM 392 CA GLN A 24 -4.857 -3.016 3.800 1.00 0.00 C ATOM 393 C GLN A 24 -5.498 -1.679 3.406 1.00 0.00 C ATOM 394 O GLN A 24 -6.567 -1.324 3.911 1.00 0.00 O ATOM 395 CB GLN A 24 -4.096 -2.895 5.123 1.00 0.00 C ATOM 396 CG GLN A 24 -3.710 -4.237 5.754 1.00 0.00 C ATOM 397 CD GLN A 24 -4.869 -4.939 6.430 1.00 0.00 C ATOM 398 OE1 GLN A 24 -6.021 -4.800 6.044 1.00 0.00 O ATOM 399 NE2 GLN A 24 -4.568 -5.695 7.448 1.00 0.00 N ATOM 0 H GLN A 24 -3.004 -3.644 3.050 1.00 0.00 H new ATOM 0 HA GLN A 24 -5.678 -3.722 3.925 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -3.190 -2.312 4.956 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -4.708 -2.337 5.831 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -3.300 -4.889 4.982 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -2.918 -4.072 6.485 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -3.596 -5.789 7.744 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -5.304 -6.193 7.949 1.00 0.00 H new ATOM 408 N ALA A 25 -4.828 -0.935 2.539 1.00 0.00 N ATOM 409 CA ALA A 25 -5.356 0.303 2.034 1.00 0.00 C ATOM 410 C ALA A 25 -6.331 0.071 0.902 1.00 0.00 C ATOM 411 O ALA A 25 -7.388 0.651 0.903 1.00 0.00 O ATOM 412 CB ALA A 25 -4.246 1.170 1.552 1.00 0.00 C ATOM 0 H ALA A 25 -3.908 -1.179 2.173 1.00 0.00 H new ATOM 0 HA ALA A 25 -5.886 0.793 2.851 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -4.655 2.106 1.171 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -3.564 1.380 2.376 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -3.705 0.659 0.755 1.00 0.00 H new ATOM 418 N ILE A 26 -5.974 -0.798 -0.057 1.00 0.00 N ATOM 419 CA ILE A 26 -6.835 -1.037 -1.231 1.00 0.00 C ATOM 420 C ILE A 26 -8.080 -1.794 -0.805 1.00 0.00 C ATOM 421 O ILE A 26 -9.154 -1.670 -1.398 1.00 0.00 O ATOM 422 CB ILE A 26 -6.103 -1.858 -2.374 1.00 0.00 C ATOM 423 CG1 ILE A 26 -6.999 -1.958 -3.600 1.00 0.00 C ATOM 424 CG2 ILE A 26 -5.730 -3.268 -1.925 1.00 0.00 C ATOM 425 CD1 ILE A 26 -6.492 -2.903 -4.666 1.00 0.00 C ATOM 0 H ILE A 26 -5.110 -1.340 -0.046 1.00 0.00 H new ATOM 0 HA ILE A 26 -7.092 -0.059 -1.638 1.00 0.00 H new ATOM 0 HB ILE A 26 -5.185 -1.320 -2.612 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -7.991 -2.283 -3.285 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -7.112 -0.965 -4.035 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -5.232 -3.790 -2.742 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -5.059 -3.211 -1.068 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -6.632 -3.811 -1.644 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -7.189 -2.914 -5.504 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -5.514 -2.569 -5.013 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -6.407 -3.907 -4.251 1.00 0.00 H new ATOM 437 N PHE A 27 -7.926 -2.551 0.226 1.00 0.00 N ATOM 438 CA PHE A 27 -8.953 -3.355 0.718 1.00 0.00 C ATOM 439 C PHE A 27 -9.079 -3.153 2.212 1.00 0.00 C ATOM 440 O PHE A 27 -8.381 -3.810 2.988 1.00 0.00 O ATOM 441 CB PHE A 27 -8.619 -4.805 0.397 1.00 0.00 C ATOM 442 CG PHE A 27 -9.631 -5.834 0.798 1.00 0.00 C ATOM 443 CD1 PHE A 27 -10.873 -5.885 0.198 1.00 0.00 C ATOM 444 CD2 PHE A 27 -9.313 -6.778 1.761 1.00 0.00 C ATOM 445 CE1 PHE A 27 -11.786 -6.857 0.555 1.00 0.00 C ATOM 446 CE2 PHE A 27 -10.222 -7.748 2.124 1.00 0.00 C ATOM 447 CZ PHE A 27 -11.462 -7.788 1.521 1.00 0.00 C ATOM 0 H PHE A 27 -7.055 -2.619 0.752 1.00 0.00 H new ATOM 0 HA PHE A 27 -9.904 -3.091 0.256 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -8.458 -4.887 -0.678 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -7.674 -5.051 0.880 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -11.133 -5.158 -0.557 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -8.342 -6.753 2.233 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -12.754 -6.889 0.078 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -9.964 -8.476 2.879 1.00 0.00 H new ATOM 0 HZ PHE A 27 -12.177 -8.546 1.804 1.00 0.00 H new ATOM 457 N PRO A 28 -9.852 -2.144 2.637 1.00 0.00 N ATOM 458 CA PRO A 28 -10.248 -2.006 4.019 1.00 0.00 C ATOM 459 C PRO A 28 -11.023 -3.257 4.397 1.00 0.00 C ATOM 460 O PRO A 28 -12.199 -3.417 4.036 1.00 0.00 O ATOM 461 CB PRO A 28 -11.175 -0.785 4.002 1.00 0.00 C ATOM 462 CG PRO A 28 -11.562 -0.671 2.577 1.00 0.00 C ATOM 463 CD PRO A 28 -10.344 -1.031 1.834 1.00 0.00 C ATOM 0 HA PRO A 28 -9.425 -1.886 4.723 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -12.044 -0.930 4.644 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -10.665 0.112 4.353 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -12.387 -1.341 2.335 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -11.891 0.340 2.335 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -10.559 -1.326 0.807 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -9.630 -0.208 1.787 1.00 0.00 H new ATOM 471 N THR A 29 -10.353 -4.157 5.023 1.00 0.00 N ATOM 472 CA THR A 29 -10.899 -5.429 5.281 1.00 0.00 C ATOM 473 C THR A 29 -11.960 -5.376 6.391 1.00 0.00 C ATOM 474 O THR A 29 -11.878 -4.555 7.313 1.00 0.00 O ATOM 475 CB THR A 29 -9.779 -6.472 5.575 1.00 0.00 C ATOM 476 OG1 THR A 29 -10.317 -7.795 5.586 1.00 0.00 O ATOM 477 CG2 THR A 29 -9.079 -6.199 6.894 1.00 0.00 C ATOM 0 H THR A 29 -9.403 -4.025 5.371 1.00 0.00 H new ATOM 0 HA THR A 29 -11.414 -5.762 4.380 1.00 0.00 H new ATOM 0 HB THR A 29 -9.043 -6.382 4.776 1.00 0.00 H new ATOM 0 HG1 THR A 29 -10.122 -8.220 6.447 1.00 0.00 H new ATOM 0 HG21 THR A 29 -8.306 -6.950 7.058 1.00 0.00 H new ATOM 0 HG22 THR A 29 -8.623 -5.209 6.866 1.00 0.00 H new ATOM 0 HG23 THR A 29 -9.804 -6.241 7.706 1.00 0.00 H new ATOM 485 N PRO A 30 -13.025 -6.173 6.250 1.00 0.00 N ATOM 486 CA PRO A 30 -14.059 -6.281 7.270 1.00 0.00 C ATOM 487 C PRO A 30 -13.614 -7.181 8.424 1.00 0.00 C ATOM 488 O PRO A 30 -14.085 -7.050 9.559 1.00 0.00 O ATOM 489 CB PRO A 30 -15.213 -6.946 6.513 1.00 0.00 C ATOM 490 CG PRO A 30 -14.552 -7.760 5.456 1.00 0.00 C ATOM 491 CD PRO A 30 -13.336 -6.989 5.049 1.00 0.00 C ATOM 0 HA PRO A 30 -14.310 -5.319 7.716 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -15.814 -7.569 7.175 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -15.883 -6.203 6.080 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -14.282 -8.746 5.834 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -15.219 -7.915 4.608 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -12.510 -7.651 4.788 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -13.530 -6.363 4.178 1.00 0.00 H new ATOM 499 N ASP A 31 -12.694 -8.071 8.123 1.00 0.00 N ATOM 500 CA ASP A 31 -12.246 -9.079 9.057 1.00 0.00 C ATOM 501 C ASP A 31 -10.858 -9.510 8.665 1.00 0.00 C ATOM 502 O ASP A 31 -10.564 -9.605 7.476 1.00 0.00 O ATOM 503 CB ASP A 31 -13.153 -10.288 8.944 1.00 0.00 C ATOM 504 CG ASP A 31 -12.827 -11.382 9.915 1.00 0.00 C ATOM 505 OD1 ASP A 31 -13.243 -11.309 11.083 1.00 0.00 O ATOM 506 OD2 ASP A 31 -12.155 -12.339 9.514 1.00 0.00 O ATOM 0 H ASP A 31 -12.232 -8.115 7.215 1.00 0.00 H new ATOM 0 HA ASP A 31 -12.260 -8.679 10.071 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -14.185 -9.972 9.100 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -13.090 -10.684 7.930 1.00 0.00 H new ATOM 511 N PRO A 32 -9.986 -9.778 9.621 1.00 0.00 N ATOM 512 CA PRO A 32 -8.627 -10.225 9.345 1.00 0.00 C ATOM 513 C PRO A 32 -8.532 -11.510 8.499 1.00 0.00 C ATOM 514 O PRO A 32 -7.540 -11.723 7.802 1.00 0.00 O ATOM 515 CB PRO A 32 -8.034 -10.483 10.712 1.00 0.00 C ATOM 516 CG PRO A 32 -9.176 -10.469 11.669 1.00 0.00 C ATOM 517 CD PRO A 32 -10.220 -9.615 11.062 1.00 0.00 C ATOM 0 HA PRO A 32 -8.108 -9.469 8.755 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -7.516 -11.442 10.737 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -7.301 -9.718 10.969 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -9.551 -11.478 11.841 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -8.867 -10.075 12.637 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -11.221 -9.938 11.347 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -10.120 -8.575 11.372 1.00 0.00 H new ATOM 525 N ALA A 33 -9.553 -12.349 8.513 1.00 0.00 N ATOM 526 CA ALA A 33 -9.470 -13.587 7.766 1.00 0.00 C ATOM 527 C ALA A 33 -9.734 -13.374 6.279 1.00 0.00 C ATOM 528 O ALA A 33 -9.531 -14.280 5.465 1.00 0.00 O ATOM 529 CB ALA A 33 -10.355 -14.675 8.347 1.00 0.00 C ATOM 0 H ALA A 33 -10.426 -12.201 9.019 1.00 0.00 H new ATOM 0 HA ALA A 33 -8.443 -13.938 7.863 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -10.256 -15.582 7.750 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -10.052 -14.881 9.374 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -11.394 -14.344 8.335 1.00 0.00 H new ATOM 535 N ALA A 34 -10.153 -12.179 5.906 1.00 0.00 N ATOM 536 CA ALA A 34 -10.332 -11.863 4.500 1.00 0.00 C ATOM 537 C ALA A 34 -8.960 -11.602 3.863 1.00 0.00 C ATOM 538 O ALA A 34 -8.805 -11.590 2.643 1.00 0.00 O ATOM 539 CB ALA A 34 -11.258 -10.668 4.330 1.00 0.00 C ATOM 0 H ALA A 34 -10.374 -11.418 6.548 1.00 0.00 H new ATOM 0 HA ALA A 34 -10.800 -12.708 3.994 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -11.378 -10.449 3.269 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -12.231 -10.897 4.766 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -10.830 -9.801 4.833 1.00 0.00 H new ATOM 545 N LEU A 35 -7.952 -11.477 4.718 1.00 0.00 N ATOM 546 CA LEU A 35 -6.590 -11.202 4.299 1.00 0.00 C ATOM 547 C LEU A 35 -5.850 -12.517 3.995 1.00 0.00 C ATOM 548 O LEU A 35 -4.657 -12.528 3.723 1.00 0.00 O ATOM 549 CB LEU A 35 -5.855 -10.463 5.409 1.00 0.00 C ATOM 550 CG LEU A 35 -6.570 -9.242 5.983 1.00 0.00 C ATOM 551 CD1 LEU A 35 -5.936 -8.831 7.289 1.00 0.00 C ATOM 552 CD2 LEU A 35 -6.537 -8.089 5.003 1.00 0.00 C ATOM 0 H LEU A 35 -8.061 -11.565 5.728 1.00 0.00 H new ATOM 0 HA LEU A 35 -6.617 -10.589 3.398 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -5.664 -11.164 6.222 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -4.884 -10.146 5.027 1.00 0.00 H new ATOM 0 HG LEU A 35 -7.611 -9.510 6.163 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -6.455 -7.959 7.687 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -6.006 -9.652 8.002 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -4.888 -8.584 7.123 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -7.052 -7.231 5.434 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -5.502 -7.822 4.790 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -7.033 -8.383 4.078 1.00 0.00 H new ATOM 564 N LYS A 36 -6.560 -13.621 4.088 1.00 0.00 N ATOM 565 CA LYS A 36 -6.008 -14.942 3.778 1.00 0.00 C ATOM 566 C LYS A 36 -6.986 -15.696 2.884 1.00 0.00 C ATOM 567 O LYS A 36 -6.924 -16.916 2.714 1.00 0.00 O ATOM 568 CB LYS A 36 -5.704 -15.704 5.076 1.00 0.00 C ATOM 569 CG LYS A 36 -6.903 -15.883 6.001 1.00 0.00 C ATOM 570 CD LYS A 36 -6.514 -16.474 7.351 1.00 0.00 C ATOM 571 CE LYS A 36 -5.550 -15.565 8.107 1.00 0.00 C ATOM 572 NZ LYS A 36 -5.226 -16.077 9.447 1.00 0.00 N ATOM 0 H LYS A 36 -7.537 -13.638 4.380 1.00 0.00 H new ATOM 0 HA LYS A 36 -5.067 -14.840 3.238 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -5.308 -16.687 4.821 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -4.919 -15.175 5.617 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -7.386 -14.918 6.156 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -7.635 -16.532 5.521 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -7.410 -16.633 7.951 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -6.053 -17.450 7.202 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -4.631 -15.457 7.531 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -5.988 -14.571 8.198 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -4.568 -15.424 9.919 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -6.098 -16.156 10.009 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -4.782 -17.014 9.363 1.00 0.00 H new ATOM 586 N ASP A 37 -7.851 -14.930 2.277 1.00 0.00 N ATOM 587 CA ASP A 37 -8.914 -15.425 1.410 1.00 0.00 C ATOM 588 C ASP A 37 -8.368 -15.667 -0.013 1.00 0.00 C ATOM 589 O ASP A 37 -7.199 -15.403 -0.279 1.00 0.00 O ATOM 590 CB ASP A 37 -10.014 -14.369 1.403 1.00 0.00 C ATOM 591 CG ASP A 37 -11.186 -14.678 0.555 1.00 0.00 C ATOM 592 OD1 ASP A 37 -12.085 -15.427 0.975 1.00 0.00 O ATOM 593 OD2 ASP A 37 -11.225 -14.182 -0.549 1.00 0.00 O ATOM 0 H ASP A 37 -7.845 -13.914 2.367 1.00 0.00 H new ATOM 0 HA ASP A 37 -9.307 -16.376 1.771 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -10.357 -14.220 2.427 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -9.585 -13.424 1.070 1.00 0.00 H new ATOM 598 N ARG A 38 -9.196 -16.160 -0.911 1.00 0.00 N ATOM 599 CA ARG A 38 -8.797 -16.409 -2.285 1.00 0.00 C ATOM 600 C ARG A 38 -8.587 -15.085 -3.021 1.00 0.00 C ATOM 601 O ARG A 38 -7.688 -14.952 -3.837 1.00 0.00 O ATOM 602 CB ARG A 38 -9.828 -17.297 -3.010 1.00 0.00 C ATOM 603 CG ARG A 38 -11.108 -16.622 -3.571 1.00 0.00 C ATOM 604 CD ARG A 38 -12.087 -16.218 -2.483 1.00 0.00 C ATOM 605 NE ARG A 38 -13.285 -15.543 -3.010 1.00 0.00 N ATOM 606 CZ ARG A 38 -14.216 -14.916 -2.258 1.00 0.00 C ATOM 607 NH1 ARG A 38 -13.992 -14.664 -0.977 1.00 0.00 N ATOM 608 NH2 ARG A 38 -15.339 -14.479 -2.813 1.00 0.00 N ATOM 0 H ARG A 38 -10.167 -16.400 -0.710 1.00 0.00 H new ATOM 0 HA ARG A 38 -7.851 -16.950 -2.279 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -9.320 -17.789 -3.839 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -10.140 -18.079 -2.318 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -10.826 -15.739 -4.145 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -11.601 -17.307 -4.261 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -12.391 -17.105 -1.928 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -11.585 -15.557 -1.777 1.00 0.00 H new ATOM 0 HE ARG A 38 -13.423 -15.549 -4.021 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -13.110 -14.944 -0.549 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -14.702 -14.190 -0.419 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -15.502 -14.616 -3.811 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -16.040 -14.006 -2.242 1.00 0.00 H new ATOM 622 N ARG A 39 -9.382 -14.087 -2.648 1.00 0.00 N ATOM 623 CA ARG A 39 -9.305 -12.753 -3.224 1.00 0.00 C ATOM 624 C ARG A 39 -8.007 -12.072 -2.790 1.00 0.00 C ATOM 625 O ARG A 39 -7.496 -11.140 -3.444 1.00 0.00 O ATOM 626 CB ARG A 39 -10.543 -11.971 -2.784 1.00 0.00 C ATOM 627 CG ARG A 39 -10.517 -10.476 -3.033 1.00 0.00 C ATOM 628 CD ARG A 39 -11.861 -9.861 -2.691 1.00 0.00 C ATOM 629 NE ARG A 39 -12.378 -10.323 -1.387 1.00 0.00 N ATOM 630 CZ ARG A 39 -13.630 -10.107 -0.955 1.00 0.00 C ATOM 631 NH1 ARG A 39 -14.434 -9.291 -1.633 1.00 0.00 N ATOM 632 NH2 ARG A 39 -14.067 -10.691 0.158 1.00 0.00 N ATOM 0 H ARG A 39 -10.102 -14.184 -1.932 1.00 0.00 H new ATOM 0 HA ARG A 39 -9.290 -12.798 -4.313 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -11.411 -12.388 -3.295 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -10.691 -12.138 -1.717 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -9.734 -10.014 -2.431 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -10.274 -10.279 -4.077 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -11.767 -8.775 -2.677 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -12.580 -10.109 -3.472 1.00 0.00 H new ATOM 0 HE ARG A 39 -11.744 -10.838 -0.777 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -14.098 -8.831 -2.479 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -15.386 -9.126 -1.306 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -13.449 -11.306 0.687 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -15.020 -10.523 0.482 1.00 0.00 H new ATOM 646 N MET A 40 -7.451 -12.583 -1.714 1.00 0.00 N ATOM 647 CA MET A 40 -6.212 -12.092 -1.191 1.00 0.00 C ATOM 648 C MET A 40 -5.080 -12.286 -2.166 1.00 0.00 C ATOM 649 O MET A 40 -4.279 -11.386 -2.316 1.00 0.00 O ATOM 650 CB MET A 40 -5.891 -12.688 0.198 1.00 0.00 C ATOM 651 CG MET A 40 -4.430 -12.573 0.663 1.00 0.00 C ATOM 652 SD MET A 40 -3.741 -10.908 0.557 1.00 0.00 S ATOM 653 CE MET A 40 -5.030 -9.952 1.305 1.00 0.00 C ATOM 0 H MET A 40 -7.853 -13.354 -1.181 1.00 0.00 H new ATOM 0 HA MET A 40 -6.329 -11.018 -1.049 1.00 0.00 H new ATOM 0 HB2 MET A 40 -6.525 -12.198 0.936 1.00 0.00 H new ATOM 0 HB3 MET A 40 -6.167 -13.743 0.191 1.00 0.00 H new ATOM 0 HG2 MET A 40 -4.362 -12.916 1.695 1.00 0.00 H new ATOM 0 HG3 MET A 40 -3.817 -13.245 0.063 1.00 0.00 H new ATOM 0 HE1 MET A 40 -5.256 -9.091 0.676 1.00 0.00 H new ATOM 0 HE2 MET A 40 -5.924 -10.567 1.412 1.00 0.00 H new ATOM 0 HE3 MET A 40 -4.705 -9.609 2.287 1.00 0.00 H new ATOM 663 N GLU A 41 -5.038 -13.416 -2.895 1.00 0.00 N ATOM 664 CA GLU A 41 -3.918 -13.604 -3.807 1.00 0.00 C ATOM 665 C GLU A 41 -3.907 -12.543 -4.859 1.00 0.00 C ATOM 666 O GLU A 41 -2.885 -12.096 -5.225 1.00 0.00 O ATOM 667 CB GLU A 41 -3.767 -15.034 -4.385 1.00 0.00 C ATOM 668 CG GLU A 41 -4.862 -15.554 -5.306 1.00 0.00 C ATOM 669 CD GLU A 41 -4.891 -14.970 -6.699 1.00 0.00 C ATOM 670 OE1 GLU A 41 -3.977 -15.264 -7.501 1.00 0.00 O ATOM 671 OE2 GLU A 41 -5.866 -14.296 -7.051 1.00 0.00 O ATOM 0 H GLU A 41 -5.727 -14.167 -2.870 1.00 0.00 H new ATOM 0 HA GLU A 41 -3.021 -13.491 -3.198 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -2.825 -15.075 -4.931 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -3.680 -15.725 -3.547 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -4.755 -16.636 -5.389 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -5.826 -15.364 -4.834 1.00 0.00 H new ATOM 678 N ASN A 42 -5.084 -12.088 -5.247 1.00 0.00 N ATOM 679 CA ASN A 42 -5.230 -11.025 -6.227 1.00 0.00 C ATOM 680 C ASN A 42 -4.732 -9.700 -5.668 1.00 0.00 C ATOM 681 O ASN A 42 -3.951 -8.993 -6.306 1.00 0.00 O ATOM 682 CB ASN A 42 -6.704 -10.905 -6.664 1.00 0.00 C ATOM 683 CG ASN A 42 -6.983 -9.673 -7.516 1.00 0.00 C ATOM 684 OD1 ASN A 42 -6.807 -9.691 -8.731 1.00 0.00 O ATOM 685 ND2 ASN A 42 -7.466 -8.616 -6.898 1.00 0.00 N ATOM 0 H ASN A 42 -5.970 -12.446 -4.890 1.00 0.00 H new ATOM 0 HA ASN A 42 -4.624 -11.274 -7.098 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -6.983 -11.797 -7.225 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -7.337 -10.876 -5.777 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -7.706 -7.780 -7.430 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -7.600 -8.633 -5.887 1.00 0.00 H new ATOM 692 N LEU A 43 -5.168 -9.389 -4.467 1.00 0.00 N ATOM 693 CA LEU A 43 -4.819 -8.132 -3.816 1.00 0.00 C ATOM 694 C LEU A 43 -3.351 -8.068 -3.467 1.00 0.00 C ATOM 695 O LEU A 43 -2.690 -7.060 -3.720 1.00 0.00 O ATOM 696 CB LEU A 43 -5.680 -7.944 -2.585 1.00 0.00 C ATOM 697 CG LEU A 43 -7.177 -7.908 -2.860 1.00 0.00 C ATOM 698 CD1 LEU A 43 -7.956 -7.925 -1.568 1.00 0.00 C ATOM 699 CD2 LEU A 43 -7.535 -6.686 -3.689 1.00 0.00 C ATOM 0 H LEU A 43 -5.773 -9.993 -3.911 1.00 0.00 H new ATOM 0 HA LEU A 43 -5.011 -7.318 -4.515 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -5.472 -8.753 -1.885 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -5.391 -7.015 -2.094 1.00 0.00 H new ATOM 0 HG LEU A 43 -7.445 -8.798 -3.429 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -9.024 -7.899 -1.786 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -7.721 -8.834 -1.014 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -7.687 -7.055 -0.969 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -8.609 -6.675 -3.877 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -7.252 -5.783 -3.147 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -7.001 -6.721 -4.639 1.00 0.00 H new ATOM 711 N VAL A 44 -2.827 -9.139 -2.920 1.00 0.00 N ATOM 712 CA VAL A 44 -1.444 -9.163 -2.556 1.00 0.00 C ATOM 713 C VAL A 44 -0.576 -9.270 -3.807 1.00 0.00 C ATOM 714 O VAL A 44 0.479 -8.692 -3.851 1.00 0.00 O ATOM 715 CB VAL A 44 -1.098 -10.258 -1.498 1.00 0.00 C ATOM 716 CG1 VAL A 44 -1.104 -11.666 -2.059 1.00 0.00 C ATOM 717 CG2 VAL A 44 0.186 -9.930 -0.750 1.00 0.00 C ATOM 0 H VAL A 44 -3.340 -9.998 -2.721 1.00 0.00 H new ATOM 0 HA VAL A 44 -1.223 -8.218 -2.060 1.00 0.00 H new ATOM 0 HB VAL A 44 -1.908 -10.242 -0.769 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -0.855 -12.374 -1.268 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -2.094 -11.896 -2.454 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -0.367 -11.742 -2.859 1.00 0.00 H new ATOM 0 HG21 VAL A 44 0.394 -10.715 -0.023 1.00 0.00 H new ATOM 0 HG22 VAL A 44 1.012 -9.863 -1.458 1.00 0.00 H new ATOM 0 HG23 VAL A 44 0.073 -8.977 -0.233 1.00 0.00 H new ATOM 727 N ALA A 45 -1.071 -9.964 -4.845 1.00 0.00 N ATOM 728 CA ALA A 45 -0.347 -10.074 -6.127 1.00 0.00 C ATOM 729 C ALA A 45 -0.171 -8.690 -6.717 1.00 0.00 C ATOM 730 O ALA A 45 0.913 -8.309 -7.156 1.00 0.00 O ATOM 731 CB ALA A 45 -1.095 -10.972 -7.115 1.00 0.00 C ATOM 0 H ALA A 45 -1.964 -10.456 -4.824 1.00 0.00 H new ATOM 0 HA ALA A 45 0.626 -10.527 -5.939 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -0.535 -11.032 -8.048 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -1.201 -11.971 -6.691 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -2.083 -10.554 -7.310 1.00 0.00 H new ATOM 737 N TYR A 46 -1.254 -7.943 -6.682 1.00 0.00 N ATOM 738 CA TYR A 46 -1.295 -6.550 -7.087 1.00 0.00 C ATOM 739 C TYR A 46 -0.318 -5.729 -6.266 1.00 0.00 C ATOM 740 O TYR A 46 0.446 -4.950 -6.812 1.00 0.00 O ATOM 741 CB TYR A 46 -2.745 -6.037 -6.924 1.00 0.00 C ATOM 742 CG TYR A 46 -2.925 -4.539 -6.740 1.00 0.00 C ATOM 743 CD1 TYR A 46 -2.875 -3.966 -5.465 1.00 0.00 C ATOM 744 CD2 TYR A 46 -3.161 -3.709 -7.808 1.00 0.00 C ATOM 745 CE1 TYR A 46 -3.054 -2.623 -5.278 1.00 0.00 C ATOM 746 CE2 TYR A 46 -3.347 -2.361 -7.614 1.00 0.00 C ATOM 747 CZ TYR A 46 -3.291 -1.828 -6.358 1.00 0.00 C ATOM 748 OH TYR A 46 -3.486 -0.485 -6.183 1.00 0.00 O ATOM 0 H TYR A 46 -2.156 -8.296 -6.363 1.00 0.00 H new ATOM 0 HA TYR A 46 -0.996 -6.452 -8.131 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -3.314 -6.342 -7.802 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -3.189 -6.541 -6.065 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -2.691 -4.598 -4.609 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -3.201 -4.118 -8.807 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -3.008 -2.198 -4.286 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -3.539 -1.719 -8.461 1.00 0.00 H new ATOM 0 HH TYR A 46 -4.120 -0.156 -6.855 1.00 0.00 H new ATOM 758 N ALA A 47 -0.337 -5.915 -4.975 1.00 0.00 N ATOM 759 CA ALA A 47 0.530 -5.171 -4.102 1.00 0.00 C ATOM 760 C ALA A 47 1.995 -5.491 -4.391 1.00 0.00 C ATOM 761 O ALA A 47 2.811 -4.595 -4.497 1.00 0.00 O ATOM 762 CB ALA A 47 0.165 -5.432 -2.659 1.00 0.00 C ATOM 0 H ALA A 47 -0.948 -6.580 -4.501 1.00 0.00 H new ATOM 0 HA ALA A 47 0.394 -4.106 -4.290 1.00 0.00 H new ATOM 0 HB1 ALA A 47 0.828 -4.863 -2.007 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -0.866 -5.126 -2.483 1.00 0.00 H new ATOM 0 HB3 ALA A 47 0.269 -6.495 -2.444 1.00 0.00 H new ATOM 768 N LYS A 48 2.290 -6.767 -4.589 1.00 0.00 N ATOM 769 CA LYS A 48 3.644 -7.237 -4.907 1.00 0.00 C ATOM 770 C LYS A 48 4.126 -6.677 -6.240 1.00 0.00 C ATOM 771 O LYS A 48 5.272 -6.244 -6.363 1.00 0.00 O ATOM 772 CB LYS A 48 3.674 -8.765 -4.989 1.00 0.00 C ATOM 773 CG LYS A 48 3.337 -9.487 -3.696 1.00 0.00 C ATOM 774 CD LYS A 48 3.182 -10.978 -3.938 1.00 0.00 C ATOM 775 CE LYS A 48 2.708 -11.703 -2.689 1.00 0.00 C ATOM 776 NZ LYS A 48 2.573 -13.160 -2.911 1.00 0.00 N ATOM 0 H LYS A 48 1.598 -7.515 -4.535 1.00 0.00 H new ATOM 0 HA LYS A 48 4.301 -6.889 -4.110 1.00 0.00 H new ATOM 0 HB2 LYS A 48 2.973 -9.086 -5.759 1.00 0.00 H new ATOM 0 HB3 LYS A 48 4.667 -9.076 -5.313 1.00 0.00 H new ATOM 0 HG2 LYS A 48 4.123 -9.313 -2.961 1.00 0.00 H new ATOM 0 HG3 LYS A 48 2.415 -9.084 -3.278 1.00 0.00 H new ATOM 0 HD2 LYS A 48 2.471 -11.144 -4.747 1.00 0.00 H new ATOM 0 HD3 LYS A 48 4.136 -11.395 -4.262 1.00 0.00 H new ATOM 0 HE2 LYS A 48 3.412 -11.524 -1.877 1.00 0.00 H new ATOM 0 HE3 LYS A 48 1.748 -11.294 -2.375 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 2.248 -13.616 -2.035 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 1.882 -13.333 -3.669 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 3.494 -13.556 -3.186 1.00 0.00 H new ATOM 790 N LYS A 49 3.259 -6.697 -7.235 1.00 0.00 N ATOM 791 CA LYS A 49 3.619 -6.244 -8.571 1.00 0.00 C ATOM 792 C LYS A 49 3.851 -4.719 -8.583 1.00 0.00 C ATOM 793 O LYS A 49 4.811 -4.213 -9.203 1.00 0.00 O ATOM 794 CB LYS A 49 2.544 -6.696 -9.599 1.00 0.00 C ATOM 795 CG LYS A 49 1.227 -6.014 -9.542 1.00 0.00 C ATOM 796 CD LYS A 49 0.241 -6.698 -10.463 1.00 0.00 C ATOM 797 CE LYS A 49 -0.933 -5.808 -10.771 1.00 0.00 C ATOM 798 NZ LYS A 49 -0.563 -4.718 -11.703 1.00 0.00 N ATOM 0 H LYS A 49 2.297 -7.023 -7.145 1.00 0.00 H new ATOM 0 HA LYS A 49 4.561 -6.706 -8.868 1.00 0.00 H new ATOM 0 HB2 LYS A 49 2.954 -6.558 -10.600 1.00 0.00 H new ATOM 0 HB3 LYS A 49 2.378 -7.765 -9.467 1.00 0.00 H new ATOM 0 HG2 LYS A 49 0.848 -6.025 -8.520 1.00 0.00 H new ATOM 0 HG3 LYS A 49 1.339 -4.969 -9.829 1.00 0.00 H new ATOM 0 HD2 LYS A 49 0.741 -6.977 -11.391 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -0.111 -7.620 -10.001 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -1.736 -6.402 -11.206 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -1.319 -5.381 -9.845 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -1.425 -4.252 -12.051 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 0.030 -4.023 -11.206 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -0.034 -5.113 -12.507 1.00 0.00 H new ATOM 812 N VAL A 50 3.009 -4.016 -7.844 1.00 0.00 N ATOM 813 CA VAL A 50 3.100 -2.582 -7.688 1.00 0.00 C ATOM 814 C VAL A 50 4.384 -2.225 -6.924 1.00 0.00 C ATOM 815 O VAL A 50 5.204 -1.436 -7.408 1.00 0.00 O ATOM 816 CB VAL A 50 1.808 -2.035 -6.976 1.00 0.00 C ATOM 817 CG1 VAL A 50 1.964 -0.617 -6.472 1.00 0.00 C ATOM 818 CG2 VAL A 50 0.626 -2.089 -7.937 1.00 0.00 C ATOM 0 H VAL A 50 2.234 -4.435 -7.330 1.00 0.00 H new ATOM 0 HA VAL A 50 3.156 -2.103 -8.666 1.00 0.00 H new ATOM 0 HB VAL A 50 1.636 -2.675 -6.110 1.00 0.00 H new ATOM 0 HG11 VAL A 50 1.039 -0.298 -5.991 1.00 0.00 H new ATOM 0 HG12 VAL A 50 2.781 -0.575 -5.752 1.00 0.00 H new ATOM 0 HG13 VAL A 50 2.184 0.045 -7.310 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -0.266 -1.709 -7.439 1.00 0.00 H new ATOM 0 HG22 VAL A 50 0.841 -1.477 -8.813 1.00 0.00 H new ATOM 0 HG23 VAL A 50 0.457 -3.120 -8.248 1.00 0.00 H new ATOM 828 N GLU A 51 4.579 -2.883 -5.787 1.00 0.00 N ATOM 829 CA GLU A 51 5.748 -2.701 -4.921 1.00 0.00 C ATOM 830 C GLU A 51 7.016 -2.962 -5.713 1.00 0.00 C ATOM 831 O GLU A 51 7.927 -2.138 -5.725 1.00 0.00 O ATOM 832 CB GLU A 51 5.619 -3.653 -3.704 1.00 0.00 C ATOM 833 CG GLU A 51 6.703 -3.583 -2.617 1.00 0.00 C ATOM 834 CD GLU A 51 8.018 -4.309 -2.962 1.00 0.00 C ATOM 835 OE1 GLU A 51 7.995 -5.296 -3.723 1.00 0.00 O ATOM 836 OE2 GLU A 51 9.075 -3.953 -2.418 1.00 0.00 O ATOM 0 H GLU A 51 3.918 -3.573 -5.430 1.00 0.00 H new ATOM 0 HA GLU A 51 5.799 -1.677 -4.552 1.00 0.00 H new ATOM 0 HB2 GLU A 51 4.657 -3.460 -3.229 1.00 0.00 H new ATOM 0 HB3 GLU A 51 5.589 -4.675 -4.081 1.00 0.00 H new ATOM 0 HG2 GLU A 51 6.926 -2.536 -2.414 1.00 0.00 H new ATOM 0 HG3 GLU A 51 6.302 -4.007 -1.697 1.00 0.00 H new ATOM 843 N GLY A 52 7.022 -4.079 -6.426 1.00 0.00 N ATOM 844 CA GLY A 52 8.154 -4.468 -7.233 1.00 0.00 C ATOM 845 C GLY A 52 8.508 -3.429 -8.262 1.00 0.00 C ATOM 846 O GLY A 52 9.685 -3.132 -8.469 1.00 0.00 O ATOM 0 H GLY A 52 6.242 -4.735 -6.457 1.00 0.00 H new ATOM 0 HA2 GLY A 52 9.014 -4.644 -6.587 1.00 0.00 H new ATOM 0 HA3 GLY A 52 7.933 -5.411 -7.733 1.00 0.00 H new ATOM 850 N ASP A 53 7.490 -2.838 -8.872 1.00 0.00 N ATOM 851 CA ASP A 53 7.702 -1.806 -9.881 1.00 0.00 C ATOM 852 C ASP A 53 8.416 -0.624 -9.295 1.00 0.00 C ATOM 853 O ASP A 53 9.485 -0.261 -9.754 1.00 0.00 O ATOM 854 CB ASP A 53 6.385 -1.350 -10.480 1.00 0.00 C ATOM 855 CG ASP A 53 6.591 -0.342 -11.591 1.00 0.00 C ATOM 856 OD1 ASP A 53 6.863 -0.762 -12.738 1.00 0.00 O ATOM 857 OD2 ASP A 53 6.477 0.883 -11.338 1.00 0.00 O ATOM 0 H ASP A 53 6.510 -3.054 -8.687 1.00 0.00 H new ATOM 0 HA ASP A 53 8.317 -2.242 -10.668 1.00 0.00 H new ATOM 0 HB2 ASP A 53 5.844 -2.213 -10.868 1.00 0.00 H new ATOM 0 HB3 ASP A 53 5.764 -0.909 -9.700 1.00 0.00 H new ATOM 862 N MET A 54 7.864 -0.073 -8.245 1.00 0.00 N ATOM 863 CA MET A 54 8.464 1.090 -7.569 1.00 0.00 C ATOM 864 C MET A 54 9.812 0.773 -6.939 1.00 0.00 C ATOM 865 O MET A 54 10.675 1.639 -6.850 1.00 0.00 O ATOM 866 CB MET A 54 7.486 1.757 -6.581 1.00 0.00 C ATOM 867 CG MET A 54 6.631 0.824 -5.779 1.00 0.00 C ATOM 868 SD MET A 54 4.912 1.408 -5.694 1.00 0.00 S ATOM 869 CE MET A 54 4.502 1.668 -7.431 1.00 0.00 C ATOM 0 H MET A 54 6.995 -0.400 -7.824 1.00 0.00 H new ATOM 0 HA MET A 54 8.667 1.827 -8.346 1.00 0.00 H new ATOM 0 HB2 MET A 54 8.061 2.375 -5.892 1.00 0.00 H new ATOM 0 HB3 MET A 54 6.833 2.426 -7.141 1.00 0.00 H new ATOM 0 HG2 MET A 54 6.657 -0.170 -6.225 1.00 0.00 H new ATOM 0 HG3 MET A 54 7.036 0.732 -4.771 1.00 0.00 H new ATOM 0 HE1 MET A 54 3.422 1.764 -7.539 1.00 0.00 H new ATOM 0 HE2 MET A 54 4.985 2.578 -7.787 1.00 0.00 H new ATOM 0 HE3 MET A 54 4.851 0.819 -8.018 1.00 0.00 H new ATOM 879 N TYR A 55 9.997 -0.470 -6.553 1.00 0.00 N ATOM 880 CA TYR A 55 11.250 -0.950 -6.008 1.00 0.00 C ATOM 881 C TYR A 55 12.328 -0.858 -7.096 1.00 0.00 C ATOM 882 O TYR A 55 13.362 -0.239 -6.914 1.00 0.00 O ATOM 883 CB TYR A 55 11.048 -2.407 -5.558 1.00 0.00 C ATOM 884 CG TYR A 55 12.217 -3.069 -4.875 1.00 0.00 C ATOM 885 CD1 TYR A 55 12.391 -2.958 -3.510 1.00 0.00 C ATOM 886 CD2 TYR A 55 13.124 -3.834 -5.596 1.00 0.00 C ATOM 887 CE1 TYR A 55 13.436 -3.588 -2.875 1.00 0.00 C ATOM 888 CE2 TYR A 55 14.178 -4.465 -4.969 1.00 0.00 C ATOM 889 CZ TYR A 55 14.330 -4.337 -3.605 1.00 0.00 C ATOM 890 OH TYR A 55 15.378 -4.974 -2.968 1.00 0.00 O ATOM 0 H TYR A 55 9.273 -1.186 -6.609 1.00 0.00 H new ATOM 0 HA TYR A 55 11.567 -0.351 -5.154 1.00 0.00 H new ATOM 0 HB2 TYR A 55 10.194 -2.440 -4.881 1.00 0.00 H new ATOM 0 HB3 TYR A 55 10.784 -3.001 -6.433 1.00 0.00 H new ATOM 0 HD1 TYR A 55 11.696 -2.367 -2.932 1.00 0.00 H new ATOM 0 HD2 TYR A 55 13.002 -3.937 -6.664 1.00 0.00 H new ATOM 0 HE1 TYR A 55 13.555 -3.495 -1.806 1.00 0.00 H new ATOM 0 HE2 TYR A 55 14.878 -5.054 -5.542 1.00 0.00 H new ATOM 0 HH TYR A 55 16.183 -4.915 -3.524 1.00 0.00 H new ATOM 900 N GLU A 56 12.029 -1.412 -8.251 1.00 0.00 N ATOM 901 CA GLU A 56 12.960 -1.415 -9.382 1.00 0.00 C ATOM 902 C GLU A 56 13.121 -0.018 -9.983 1.00 0.00 C ATOM 903 O GLU A 56 14.144 0.305 -10.561 1.00 0.00 O ATOM 904 CB GLU A 56 12.469 -2.372 -10.449 1.00 0.00 C ATOM 905 CG GLU A 56 12.452 -3.826 -10.020 1.00 0.00 C ATOM 906 CD GLU A 56 11.856 -4.710 -11.078 1.00 0.00 C ATOM 907 OE1 GLU A 56 12.256 -4.589 -12.245 1.00 0.00 O ATOM 908 OE2 GLU A 56 10.992 -5.549 -10.762 1.00 0.00 O ATOM 0 H GLU A 56 11.140 -1.874 -8.442 1.00 0.00 H new ATOM 0 HA GLU A 56 13.933 -1.738 -9.012 1.00 0.00 H new ATOM 0 HB2 GLU A 56 11.462 -2.081 -10.746 1.00 0.00 H new ATOM 0 HB3 GLU A 56 13.103 -2.272 -11.330 1.00 0.00 H new ATOM 0 HG2 GLU A 56 13.469 -4.153 -9.803 1.00 0.00 H new ATOM 0 HG3 GLU A 56 11.881 -3.927 -9.097 1.00 0.00 H new ATOM 915 N SER A 57 12.135 0.787 -9.787 1.00 0.00 N ATOM 916 CA SER A 57 12.059 2.124 -10.337 1.00 0.00 C ATOM 917 C SER A 57 12.835 3.175 -9.514 1.00 0.00 C ATOM 918 O SER A 57 13.385 4.121 -10.075 1.00 0.00 O ATOM 919 CB SER A 57 10.585 2.507 -10.453 1.00 0.00 C ATOM 920 OG SER A 57 9.924 1.720 -11.433 1.00 0.00 O ATOM 0 H SER A 57 11.324 0.537 -9.221 1.00 0.00 H new ATOM 0 HA SER A 57 12.538 2.115 -11.316 1.00 0.00 H new ATOM 0 HB2 SER A 57 10.096 2.376 -9.488 1.00 0.00 H new ATOM 0 HB3 SER A 57 10.500 3.562 -10.713 1.00 0.00 H new ATOM 0 HG SER A 57 9.464 0.973 -10.997 1.00 0.00 H new ATOM 926 N ALA A 58 12.878 3.010 -8.211 1.00 0.00 N ATOM 927 CA ALA A 58 13.520 3.985 -7.339 1.00 0.00 C ATOM 928 C ALA A 58 15.020 3.763 -7.226 1.00 0.00 C ATOM 929 O ALA A 58 15.543 2.684 -7.567 1.00 0.00 O ATOM 930 CB ALA A 58 12.916 3.909 -5.975 1.00 0.00 C ATOM 0 H ALA A 58 12.476 2.209 -7.724 1.00 0.00 H new ATOM 0 HA ALA A 58 13.359 4.968 -7.781 1.00 0.00 H new ATOM 0 HB1 ALA A 58 13.397 4.638 -5.323 1.00 0.00 H new ATOM 0 HB2 ALA A 58 11.849 4.125 -6.037 1.00 0.00 H new ATOM 0 HB3 ALA A 58 13.061 2.908 -5.568 1.00 0.00 H new ATOM 936 N ASN A 59 15.714 4.762 -6.723 1.00 0.00 N ATOM 937 CA ASN A 59 17.159 4.662 -6.530 1.00 0.00 C ATOM 938 C ASN A 59 17.519 4.672 -5.067 1.00 0.00 C ATOM 939 O ASN A 59 18.683 4.816 -4.694 1.00 0.00 O ATOM 940 CB ASN A 59 17.955 5.712 -7.321 1.00 0.00 C ATOM 941 CG ASN A 59 17.987 5.428 -8.816 1.00 0.00 C ATOM 942 OD1 ASN A 59 18.848 4.701 -9.296 1.00 0.00 O ATOM 943 ND2 ASN A 59 17.089 6.013 -9.562 1.00 0.00 N ATOM 0 H ASN A 59 15.309 5.654 -6.439 1.00 0.00 H new ATOM 0 HA ASN A 59 17.454 3.697 -6.943 1.00 0.00 H new ATOM 0 HB2 ASN A 59 17.517 6.696 -7.152 1.00 0.00 H new ATOM 0 HB3 ASN A 59 18.976 5.749 -6.941 1.00 0.00 H new ATOM 0 HD21 ASN A 59 17.093 5.870 -10.572 1.00 0.00 H new ATOM 0 HD22 ASN A 59 16.384 6.613 -9.135 1.00 0.00 H new ATOM 950 N SER A 60 16.520 4.486 -4.248 1.00 0.00 N ATOM 951 CA SER A 60 16.676 4.296 -2.841 1.00 0.00 C ATOM 952 C SER A 60 15.395 3.728 -2.309 1.00 0.00 C ATOM 953 O SER A 60 14.332 3.923 -2.912 1.00 0.00 O ATOM 954 CB SER A 60 17.046 5.584 -2.114 1.00 0.00 C ATOM 955 OG SER A 60 16.116 6.611 -2.368 1.00 0.00 O ATOM 0 H SER A 60 15.548 4.463 -4.556 1.00 0.00 H new ATOM 0 HA SER A 60 17.504 3.609 -2.665 1.00 0.00 H new ATOM 0 HB2 SER A 60 17.096 5.395 -1.042 1.00 0.00 H new ATOM 0 HB3 SER A 60 18.039 5.906 -2.427 1.00 0.00 H new ATOM 0 HG SER A 60 16.383 7.421 -1.885 1.00 0.00 H new ATOM 961 N ARG A 61 15.472 3.010 -1.218 1.00 0.00 N ATOM 962 CA ARG A 61 14.276 2.412 -0.663 1.00 0.00 C ATOM 963 C ARG A 61 13.367 3.453 -0.077 1.00 0.00 C ATOM 964 O ARG A 61 12.189 3.334 -0.170 1.00 0.00 O ATOM 965 CB ARG A 61 14.537 1.267 0.338 1.00 0.00 C ATOM 966 CG ARG A 61 15.126 1.641 1.693 1.00 0.00 C ATOM 967 CD ARG A 61 16.470 2.269 1.572 1.00 0.00 C ATOM 968 NE ARG A 61 17.034 2.544 2.887 1.00 0.00 N ATOM 969 CZ ARG A 61 18.156 3.224 3.148 1.00 0.00 C ATOM 970 NH1 ARG A 61 18.890 3.735 2.179 1.00 0.00 N ATOM 971 NH2 ARG A 61 18.532 3.402 4.391 1.00 0.00 N ATOM 0 H ARG A 61 16.332 2.825 -0.701 1.00 0.00 H new ATOM 0 HA ARG A 61 13.774 1.942 -1.508 1.00 0.00 H new ATOM 0 HB2 ARG A 61 13.593 0.750 0.512 1.00 0.00 H new ATOM 0 HB3 ARG A 61 15.210 0.552 -0.136 1.00 0.00 H new ATOM 0 HG2 ARG A 61 14.451 2.329 2.203 1.00 0.00 H new ATOM 0 HG3 ARG A 61 15.199 0.748 2.314 1.00 0.00 H new ATOM 0 HD2 ARG A 61 17.136 1.609 1.017 1.00 0.00 H new ATOM 0 HD3 ARG A 61 16.393 3.196 1.003 1.00 0.00 H new ATOM 0 HE ARG A 61 16.521 2.181 3.690 1.00 0.00 H new ATOM 0 HH11 ARG A 61 18.606 3.615 1.207 1.00 0.00 H new ATOM 0 HH12 ARG A 61 19.742 4.250 2.402 1.00 0.00 H new ATOM 0 HH21 ARG A 61 17.970 3.023 5.153 1.00 0.00 H new ATOM 0 HH22 ARG A 61 19.387 3.920 4.596 1.00 0.00 H new ATOM 985 N ASP A 62 13.943 4.500 0.477 1.00 0.00 N ATOM 986 CA ASP A 62 13.167 5.598 1.055 1.00 0.00 C ATOM 987 C ASP A 62 12.383 6.300 -0.066 1.00 0.00 C ATOM 988 O ASP A 62 11.255 6.713 0.125 1.00 0.00 O ATOM 989 CB ASP A 62 14.116 6.580 1.742 1.00 0.00 C ATOM 990 CG ASP A 62 13.411 7.746 2.390 1.00 0.00 C ATOM 991 OD1 ASP A 62 13.134 8.754 1.707 1.00 0.00 O ATOM 992 OD2 ASP A 62 13.144 7.694 3.604 1.00 0.00 O ATOM 0 H ASP A 62 14.954 4.622 0.543 1.00 0.00 H new ATOM 0 HA ASP A 62 12.464 5.216 1.795 1.00 0.00 H new ATOM 0 HB2 ASP A 62 14.691 6.047 2.499 1.00 0.00 H new ATOM 0 HB3 ASP A 62 14.828 6.958 1.008 1.00 0.00 H new ATOM 997 N GLU A 63 12.999 6.387 -1.254 1.00 0.00 N ATOM 998 CA GLU A 63 12.340 6.935 -2.437 1.00 0.00 C ATOM 999 C GLU A 63 11.205 6.042 -2.898 1.00 0.00 C ATOM 1000 O GLU A 63 10.090 6.526 -3.157 1.00 0.00 O ATOM 1001 CB GLU A 63 13.344 7.158 -3.567 1.00 0.00 C ATOM 1002 CG GLU A 63 12.722 7.434 -4.925 1.00 0.00 C ATOM 1003 CD GLU A 63 13.715 7.927 -5.911 1.00 0.00 C ATOM 1004 OE1 GLU A 63 14.595 7.153 -6.314 1.00 0.00 O ATOM 1005 OE2 GLU A 63 13.655 9.111 -6.290 1.00 0.00 O ATOM 0 H GLU A 63 13.959 6.081 -1.416 1.00 0.00 H new ATOM 0 HA GLU A 63 11.916 7.900 -2.161 1.00 0.00 H new ATOM 0 HB2 GLU A 63 13.989 7.996 -3.301 1.00 0.00 H new ATOM 0 HB3 GLU A 63 13.982 6.278 -3.647 1.00 0.00 H new ATOM 0 HG2 GLU A 63 12.261 6.522 -5.303 1.00 0.00 H new ATOM 0 HG3 GLU A 63 11.927 8.171 -4.815 1.00 0.00 H new ATOM 1012 N TYR A 64 11.482 4.748 -2.973 1.00 0.00 N ATOM 1013 CA TYR A 64 10.502 3.766 -3.403 1.00 0.00 C ATOM 1014 C TYR A 64 9.331 3.749 -2.425 1.00 0.00 C ATOM 1015 O TYR A 64 8.172 3.807 -2.828 1.00 0.00 O ATOM 1016 CB TYR A 64 11.205 2.383 -3.596 1.00 0.00 C ATOM 1017 CG TYR A 64 10.663 1.216 -2.834 1.00 0.00 C ATOM 1018 CD1 TYR A 64 9.603 0.488 -3.318 1.00 0.00 C ATOM 1019 CD2 TYR A 64 11.220 0.844 -1.623 1.00 0.00 C ATOM 1020 CE1 TYR A 64 9.108 -0.573 -2.626 1.00 0.00 C ATOM 1021 CE2 TYR A 64 10.727 -0.212 -0.921 1.00 0.00 C ATOM 1022 CZ TYR A 64 9.670 -0.917 -1.425 1.00 0.00 C ATOM 1023 OH TYR A 64 9.171 -1.957 -0.732 1.00 0.00 O ATOM 0 H TYR A 64 12.392 4.352 -2.737 1.00 0.00 H new ATOM 0 HA TYR A 64 10.077 4.028 -4.372 1.00 0.00 H new ATOM 0 HB2 TYR A 64 11.172 2.135 -4.657 1.00 0.00 H new ATOM 0 HB3 TYR A 64 12.255 2.500 -3.328 1.00 0.00 H new ATOM 0 HD1 TYR A 64 9.156 0.762 -4.262 1.00 0.00 H new ATOM 0 HD2 TYR A 64 12.058 1.400 -1.230 1.00 0.00 H new ATOM 0 HE1 TYR A 64 8.278 -1.140 -3.020 1.00 0.00 H new ATOM 0 HE2 TYR A 64 11.167 -0.491 0.025 1.00 0.00 H new ATOM 0 HH TYR A 64 8.872 -2.652 -1.355 1.00 0.00 H new ATOM 1033 N TYR A 65 9.675 3.758 -1.152 1.00 0.00 N ATOM 1034 CA TYR A 65 8.753 3.838 -0.044 1.00 0.00 C ATOM 1035 C TYR A 65 7.899 5.084 -0.185 1.00 0.00 C ATOM 1036 O TYR A 65 6.695 5.010 -0.128 1.00 0.00 O ATOM 1037 CB TYR A 65 9.638 3.948 1.215 1.00 0.00 C ATOM 1038 CG TYR A 65 9.022 4.292 2.560 1.00 0.00 C ATOM 1039 CD1 TYR A 65 8.188 5.399 2.758 1.00 0.00 C ATOM 1040 CD2 TYR A 65 9.339 3.539 3.639 1.00 0.00 C ATOM 1041 CE1 TYR A 65 7.695 5.703 3.989 1.00 0.00 C ATOM 1042 CE2 TYR A 65 8.868 3.841 4.864 1.00 0.00 C ATOM 1043 CZ TYR A 65 8.044 4.918 5.048 1.00 0.00 C ATOM 1044 OH TYR A 65 7.591 5.211 6.300 1.00 0.00 O ATOM 0 H TYR A 65 10.649 3.707 -0.852 1.00 0.00 H new ATOM 0 HA TYR A 65 8.086 2.977 0.002 1.00 0.00 H new ATOM 0 HB2 TYR A 65 10.153 2.994 1.331 1.00 0.00 H new ATOM 0 HB3 TYR A 65 10.400 4.699 1.008 1.00 0.00 H new ATOM 0 HD1 TYR A 65 7.931 6.025 1.916 1.00 0.00 H new ATOM 0 HD2 TYR A 65 9.982 2.680 3.515 1.00 0.00 H new ATOM 0 HE1 TYR A 65 7.039 6.550 4.125 1.00 0.00 H new ATOM 0 HE2 TYR A 65 9.143 3.227 5.709 1.00 0.00 H new ATOM 0 HH TYR A 65 7.532 4.387 6.828 1.00 0.00 H new ATOM 1054 N HIS A 66 8.550 6.215 -0.424 1.00 0.00 N ATOM 1055 CA HIS A 66 7.884 7.505 -0.456 1.00 0.00 C ATOM 1056 C HIS A 66 6.873 7.581 -1.573 1.00 0.00 C ATOM 1057 O HIS A 66 5.726 7.926 -1.338 1.00 0.00 O ATOM 1058 CB HIS A 66 8.899 8.656 -0.574 1.00 0.00 C ATOM 1059 CG HIS A 66 8.288 10.026 -0.466 1.00 0.00 C ATOM 1060 ND1 HIS A 66 8.057 10.854 -1.540 1.00 0.00 N ATOM 1061 CD2 HIS A 66 7.849 10.698 0.625 1.00 0.00 C ATOM 1062 CE1 HIS A 66 7.489 11.975 -1.081 1.00 0.00 C ATOM 1063 NE2 HIS A 66 7.343 11.929 0.232 1.00 0.00 N ATOM 0 H HIS A 66 9.554 6.261 -0.601 1.00 0.00 H new ATOM 0 HA HIS A 66 7.352 7.612 0.489 1.00 0.00 H new ATOM 0 HB2 HIS A 66 9.652 8.543 0.206 1.00 0.00 H new ATOM 0 HB3 HIS A 66 9.415 8.574 -1.530 1.00 0.00 H new ATOM 0 HD2 HIS A 66 7.887 10.333 1.641 1.00 0.00 H new ATOM 0 HE1 HIS A 66 7.190 12.807 -1.701 1.00 0.00 H new ATOM 0 HE2 HIS A 66 6.941 12.649 0.832 1.00 0.00 H new ATOM 1071 N LEU A 67 7.279 7.212 -2.768 1.00 0.00 N ATOM 1072 CA LEU A 67 6.396 7.328 -3.905 1.00 0.00 C ATOM 1073 C LEU A 67 5.249 6.312 -3.836 1.00 0.00 C ATOM 1074 O LEU A 67 4.126 6.586 -4.310 1.00 0.00 O ATOM 1075 CB LEU A 67 7.187 7.316 -5.248 1.00 0.00 C ATOM 1076 CG LEU A 67 7.957 6.050 -5.644 1.00 0.00 C ATOM 1077 CD1 LEU A 67 7.052 5.047 -6.303 1.00 0.00 C ATOM 1078 CD2 LEU A 67 9.129 6.378 -6.549 1.00 0.00 C ATOM 0 H LEU A 67 8.203 6.834 -2.975 1.00 0.00 H new ATOM 0 HA LEU A 67 5.913 8.304 -3.867 1.00 0.00 H new ATOM 0 HB2 LEU A 67 6.480 7.536 -6.048 1.00 0.00 H new ATOM 0 HB3 LEU A 67 7.900 8.140 -5.218 1.00 0.00 H new ATOM 0 HG LEU A 67 8.348 5.608 -4.727 1.00 0.00 H new ATOM 0 HD11 LEU A 67 7.626 4.161 -6.572 1.00 0.00 H new ATOM 0 HD12 LEU A 67 6.255 4.768 -5.614 1.00 0.00 H new ATOM 0 HD13 LEU A 67 6.617 5.484 -7.202 1.00 0.00 H new ATOM 0 HD21 LEU A 67 9.654 5.460 -6.812 1.00 0.00 H new ATOM 0 HD22 LEU A 67 8.764 6.860 -7.456 1.00 0.00 H new ATOM 0 HD23 LEU A 67 9.812 7.051 -6.030 1.00 0.00 H new ATOM 1090 N LEU A 68 5.510 5.159 -3.219 1.00 0.00 N ATOM 1091 CA LEU A 68 4.475 4.164 -3.057 1.00 0.00 C ATOM 1092 C LEU A 68 3.530 4.602 -1.938 1.00 0.00 C ATOM 1093 O LEU A 68 2.321 4.411 -2.034 1.00 0.00 O ATOM 1094 CB LEU A 68 5.083 2.742 -2.831 1.00 0.00 C ATOM 1095 CG LEU A 68 5.457 2.267 -1.431 1.00 0.00 C ATOM 1096 CD1 LEU A 68 4.237 1.740 -0.710 1.00 0.00 C ATOM 1097 CD2 LEU A 68 6.490 1.188 -1.524 1.00 0.00 C ATOM 0 H LEU A 68 6.418 4.903 -2.832 1.00 0.00 H new ATOM 0 HA LEU A 68 3.891 4.086 -3.974 1.00 0.00 H new ATOM 0 HB2 LEU A 68 4.371 2.022 -3.234 1.00 0.00 H new ATOM 0 HB3 LEU A 68 5.983 2.678 -3.442 1.00 0.00 H new ATOM 0 HG LEU A 68 5.860 3.111 -0.871 1.00 0.00 H new ATOM 0 HD11 LEU A 68 4.520 1.405 0.288 1.00 0.00 H new ATOM 0 HD12 LEU A 68 3.492 2.532 -0.629 1.00 0.00 H new ATOM 0 HD13 LEU A 68 3.818 0.903 -1.268 1.00 0.00 H new ATOM 0 HD21 LEU A 68 6.755 0.851 -0.522 1.00 0.00 H new ATOM 0 HD22 LEU A 68 6.090 0.350 -2.095 1.00 0.00 H new ATOM 0 HD23 LEU A 68 7.378 1.576 -2.023 1.00 0.00 H new ATOM 1109 N ALA A 69 4.098 5.223 -0.888 1.00 0.00 N ATOM 1110 CA ALA A 69 3.328 5.749 0.226 1.00 0.00 C ATOM 1111 C ALA A 69 2.401 6.864 -0.270 1.00 0.00 C ATOM 1112 O ALA A 69 1.272 6.980 0.163 1.00 0.00 O ATOM 1113 CB ALA A 69 4.255 6.237 1.344 1.00 0.00 C ATOM 0 H ALA A 69 5.104 5.368 -0.799 1.00 0.00 H new ATOM 0 HA ALA A 69 2.712 4.954 0.645 1.00 0.00 H new ATOM 0 HB1 ALA A 69 3.657 6.627 2.168 1.00 0.00 H new ATOM 0 HB2 ALA A 69 4.865 5.407 1.699 1.00 0.00 H new ATOM 0 HB3 ALA A 69 4.903 7.025 0.961 1.00 0.00 H new ATOM 1119 N GLU A 70 2.892 7.638 -1.216 1.00 0.00 N ATOM 1120 CA GLU A 70 2.114 8.677 -1.893 1.00 0.00 C ATOM 1121 C GLU A 70 0.954 8.073 -2.659 1.00 0.00 C ATOM 1122 O GLU A 70 -0.197 8.539 -2.575 1.00 0.00 O ATOM 1123 CB GLU A 70 3.017 9.408 -2.859 1.00 0.00 C ATOM 1124 CG GLU A 70 3.866 10.463 -2.210 1.00 0.00 C ATOM 1125 CD GLU A 70 3.051 11.690 -1.910 1.00 0.00 C ATOM 1126 OE1 GLU A 70 2.761 12.454 -2.874 1.00 0.00 O ATOM 1127 OE2 GLU A 70 2.653 11.904 -0.751 1.00 0.00 O ATOM 0 H GLU A 70 3.854 7.569 -1.547 1.00 0.00 H new ATOM 0 HA GLU A 70 1.715 9.362 -1.145 1.00 0.00 H new ATOM 0 HB2 GLU A 70 3.666 8.685 -3.354 1.00 0.00 H new ATOM 0 HB3 GLU A 70 2.406 9.871 -3.634 1.00 0.00 H new ATOM 0 HG2 GLU A 70 4.298 10.073 -1.288 1.00 0.00 H new ATOM 0 HG3 GLU A 70 4.696 10.723 -2.866 1.00 0.00 H new ATOM 1134 N LYS A 71 1.260 7.034 -3.404 1.00 0.00 N ATOM 1135 CA LYS A 71 0.282 6.337 -4.187 1.00 0.00 C ATOM 1136 C LYS A 71 -0.769 5.696 -3.283 1.00 0.00 C ATOM 1137 O LYS A 71 -1.973 5.812 -3.530 1.00 0.00 O ATOM 1138 CB LYS A 71 1.004 5.335 -5.150 1.00 0.00 C ATOM 1139 CG LYS A 71 0.641 3.842 -5.086 1.00 0.00 C ATOM 1140 CD LYS A 71 -0.759 3.567 -5.612 1.00 0.00 C ATOM 1141 CE LYS A 71 -1.025 2.097 -5.795 1.00 0.00 C ATOM 1142 NZ LYS A 71 -2.355 1.876 -6.390 1.00 0.00 N ATOM 0 H LYS A 71 2.203 6.652 -3.479 1.00 0.00 H new ATOM 0 HA LYS A 71 -0.269 7.032 -4.821 1.00 0.00 H new ATOM 0 HB2 LYS A 71 0.824 5.673 -6.171 1.00 0.00 H new ATOM 0 HB3 LYS A 71 2.076 5.420 -4.970 1.00 0.00 H new ATOM 0 HG2 LYS A 71 1.364 3.269 -5.666 1.00 0.00 H new ATOM 0 HG3 LYS A 71 0.714 3.496 -4.055 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -1.492 3.983 -4.921 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -0.893 4.079 -6.565 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -0.258 1.661 -6.435 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -0.963 1.589 -4.833 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -2.750 0.981 -6.036 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -2.986 2.660 -6.130 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -2.269 1.830 -7.425 1.00 0.00 H new ATOM 1156 N ILE A 72 -0.331 5.073 -2.224 1.00 0.00 N ATOM 1157 CA ILE A 72 -1.242 4.406 -1.346 1.00 0.00 C ATOM 1158 C ILE A 72 -2.105 5.435 -0.584 1.00 0.00 C ATOM 1159 O ILE A 72 -3.283 5.221 -0.382 1.00 0.00 O ATOM 1160 CB ILE A 72 -0.509 3.415 -0.402 1.00 0.00 C ATOM 1161 CG1 ILE A 72 -1.488 2.513 0.264 1.00 0.00 C ATOM 1162 CG2 ILE A 72 0.330 4.103 0.644 1.00 0.00 C ATOM 1163 CD1 ILE A 72 -0.865 1.666 1.345 1.00 0.00 C ATOM 0 H ILE A 72 0.650 5.015 -1.951 1.00 0.00 H new ATOM 0 HA ILE A 72 -1.919 3.798 -1.946 1.00 0.00 H new ATOM 0 HB ILE A 72 0.168 2.838 -1.032 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -2.290 3.111 0.696 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -1.942 1.863 -0.484 1.00 0.00 H new ATOM 0 HG21 ILE A 72 0.815 3.355 1.271 1.00 0.00 H new ATOM 0 HG22 ILE A 72 1.089 4.716 0.157 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -0.306 4.737 1.262 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -1.628 1.030 1.794 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -0.081 1.044 0.913 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -0.435 2.312 2.111 1.00 0.00 H new ATOM 1175 N TYR A 73 -1.499 6.564 -0.244 1.00 0.00 N ATOM 1176 CA TYR A 73 -2.163 7.703 0.397 1.00 0.00 C ATOM 1177 C TYR A 73 -3.374 8.159 -0.418 1.00 0.00 C ATOM 1178 O TYR A 73 -4.521 8.207 0.101 1.00 0.00 O ATOM 1179 CB TYR A 73 -1.102 8.845 0.558 1.00 0.00 C ATOM 1180 CG TYR A 73 -1.599 10.294 0.686 1.00 0.00 C ATOM 1181 CD1 TYR A 73 -1.976 11.010 -0.446 1.00 0.00 C ATOM 1182 CD2 TYR A 73 -1.657 10.944 1.905 1.00 0.00 C ATOM 1183 CE1 TYR A 73 -2.405 12.304 -0.368 1.00 0.00 C ATOM 1184 CE2 TYR A 73 -2.087 12.258 1.988 1.00 0.00 C ATOM 1185 CZ TYR A 73 -2.459 12.928 0.842 1.00 0.00 C ATOM 1186 OH TYR A 73 -2.925 14.227 0.909 1.00 0.00 O ATOM 0 H TYR A 73 -0.505 6.723 -0.409 1.00 0.00 H new ATOM 0 HA TYR A 73 -2.545 7.420 1.378 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -0.504 8.620 1.441 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -0.432 8.799 -0.301 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -1.928 10.529 -1.412 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -1.364 10.421 2.803 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -2.701 12.831 -1.263 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -2.131 12.755 2.946 1.00 0.00 H new ATOM 0 HH TYR A 73 -2.905 14.534 1.839 1.00 0.00 H new ATOM 1196 N LYS A 74 -3.135 8.440 -1.696 1.00 0.00 N ATOM 1197 CA LYS A 74 -4.176 8.948 -2.562 1.00 0.00 C ATOM 1198 C LYS A 74 -5.231 7.896 -2.787 1.00 0.00 C ATOM 1199 O LYS A 74 -6.406 8.214 -2.903 1.00 0.00 O ATOM 1200 CB LYS A 74 -3.612 9.487 -3.887 1.00 0.00 C ATOM 1201 CG LYS A 74 -3.013 8.436 -4.809 1.00 0.00 C ATOM 1202 CD LYS A 74 -2.345 9.057 -6.033 1.00 0.00 C ATOM 1203 CE LYS A 74 -1.154 9.925 -5.650 1.00 0.00 C ATOM 1204 NZ LYS A 74 -0.494 10.504 -6.831 1.00 0.00 N ATOM 0 H LYS A 74 -2.228 8.322 -2.148 1.00 0.00 H new ATOM 0 HA LYS A 74 -4.645 9.796 -2.062 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -4.410 10.003 -4.420 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -2.846 10.230 -3.663 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -2.281 7.846 -4.258 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -3.796 7.750 -5.133 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -2.016 8.266 -6.708 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -3.073 9.659 -6.578 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -1.486 10.727 -4.990 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -0.435 9.328 -5.089 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 0.311 11.088 -6.527 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -0.154 9.739 -7.448 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -1.172 11.095 -7.353 1.00 0.00 H new ATOM 1218 N ILE A 75 -4.809 6.641 -2.797 1.00 0.00 N ATOM 1219 CA ILE A 75 -5.717 5.535 -2.941 1.00 0.00 C ATOM 1220 C ILE A 75 -6.654 5.443 -1.741 1.00 0.00 C ATOM 1221 O ILE A 75 -7.868 5.338 -1.926 1.00 0.00 O ATOM 1222 CB ILE A 75 -4.952 4.183 -3.217 1.00 0.00 C ATOM 1223 CG1 ILE A 75 -4.894 3.874 -4.714 1.00 0.00 C ATOM 1224 CG2 ILE A 75 -5.533 2.991 -2.466 1.00 0.00 C ATOM 1225 CD1 ILE A 75 -4.211 4.918 -5.578 1.00 0.00 C ATOM 0 H ILE A 75 -3.830 6.371 -2.705 1.00 0.00 H new ATOM 0 HA ILE A 75 -6.336 5.718 -3.819 1.00 0.00 H new ATOM 0 HB ILE A 75 -3.942 4.338 -2.838 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -4.378 2.923 -4.850 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -5.913 3.739 -5.078 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -4.958 2.096 -2.703 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -5.486 3.179 -1.393 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -6.571 2.844 -2.764 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -4.228 4.596 -6.619 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -4.736 5.868 -5.484 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -3.178 5.040 -5.252 1.00 0.00 H new ATOM 1237 N GLN A 76 -6.091 5.564 -0.528 1.00 0.00 N ATOM 1238 CA GLN A 76 -6.872 5.437 0.701 1.00 0.00 C ATOM 1239 C GLN A 76 -7.957 6.443 0.757 1.00 0.00 C ATOM 1240 O GLN A 76 -9.136 6.099 0.905 1.00 0.00 O ATOM 1241 CB GLN A 76 -6.025 5.571 1.959 1.00 0.00 C ATOM 1242 CG GLN A 76 -4.950 4.544 2.065 1.00 0.00 C ATOM 1243 CD GLN A 76 -4.525 4.289 3.502 1.00 0.00 C ATOM 1244 OE1 GLN A 76 -5.320 4.433 4.440 1.00 0.00 O ATOM 1245 NE2 GLN A 76 -3.292 3.885 3.693 1.00 0.00 N ATOM 0 H GLN A 76 -5.099 5.749 -0.378 1.00 0.00 H new ATOM 0 HA GLN A 76 -7.293 4.432 0.674 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -5.572 6.562 1.979 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -6.673 5.499 2.833 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -5.299 3.611 1.622 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -4.085 4.868 1.486 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -2.662 3.777 2.898 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -2.963 3.679 4.636 1.00 0.00 H new ATOM 1254 N LYS A 77 -7.589 7.688 0.597 1.00 0.00 N ATOM 1255 CA LYS A 77 -8.561 8.712 0.688 1.00 0.00 C ATOM 1256 C LYS A 77 -9.556 8.670 -0.452 1.00 0.00 C ATOM 1257 O LYS A 77 -10.730 8.896 -0.220 1.00 0.00 O ATOM 1258 CB LYS A 77 -7.910 10.049 0.838 1.00 0.00 C ATOM 1259 CG LYS A 77 -6.802 10.305 -0.156 1.00 0.00 C ATOM 1260 CD LYS A 77 -6.247 11.679 0.002 1.00 0.00 C ATOM 1261 CE LYS A 77 -5.788 11.963 1.420 1.00 0.00 C ATOM 1262 NZ LYS A 77 -5.519 13.399 1.643 1.00 0.00 N ATOM 0 H LYS A 77 -6.637 8.000 0.407 1.00 0.00 H new ATOM 0 HA LYS A 77 -9.146 8.532 1.590 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -8.668 10.825 0.731 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -7.507 10.135 1.847 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -6.008 9.571 -0.018 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -7.182 10.177 -1.170 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -5.407 11.808 -0.681 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -7.005 12.408 -0.284 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -6.551 11.625 2.121 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -4.885 11.389 1.630 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -5.707 13.637 2.638 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -4.524 13.605 1.420 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -6.136 13.967 1.028 1.00 0.00 H new ATOM 1276 N GLU A 78 -9.091 8.293 -1.659 1.00 0.00 N ATOM 1277 CA GLU A 78 -9.955 8.236 -2.840 1.00 0.00 C ATOM 1278 C GLU A 78 -11.076 7.258 -2.578 1.00 0.00 C ATOM 1279 O GLU A 78 -12.244 7.583 -2.732 1.00 0.00 O ATOM 1280 CB GLU A 78 -9.166 7.779 -4.095 1.00 0.00 C ATOM 1281 CG GLU A 78 -9.841 8.112 -5.423 1.00 0.00 C ATOM 1282 CD GLU A 78 -10.020 9.597 -5.627 1.00 0.00 C ATOM 1283 OE1 GLU A 78 -9.001 10.334 -5.681 1.00 0.00 O ATOM 1284 OE2 GLU A 78 -11.172 10.052 -5.772 1.00 0.00 O ATOM 0 H GLU A 78 -8.123 8.025 -1.835 1.00 0.00 H new ATOM 0 HA GLU A 78 -10.349 9.235 -3.029 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -8.180 8.242 -4.077 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -9.013 6.701 -4.040 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -9.246 7.706 -6.241 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -10.814 7.623 -5.464 1.00 0.00 H new ATOM 1291 N LEU A 79 -10.711 6.081 -2.099 1.00 0.00 N ATOM 1292 CA LEU A 79 -11.667 5.034 -1.881 1.00 0.00 C ATOM 1293 C LEU A 79 -12.652 5.357 -0.772 1.00 0.00 C ATOM 1294 O LEU A 79 -13.875 5.166 -0.951 1.00 0.00 O ATOM 1295 CB LEU A 79 -10.988 3.663 -1.719 1.00 0.00 C ATOM 1296 CG LEU A 79 -10.037 3.422 -0.547 1.00 0.00 C ATOM 1297 CD1 LEU A 79 -10.779 2.985 0.713 1.00 0.00 C ATOM 1298 CD2 LEU A 79 -9.008 2.403 -0.949 1.00 0.00 C ATOM 0 H LEU A 79 -9.751 5.836 -1.856 1.00 0.00 H new ATOM 0 HA LEU A 79 -12.273 4.966 -2.784 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -11.778 2.914 -1.657 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -10.432 3.465 -2.635 1.00 0.00 H new ATOM 0 HG LEU A 79 -9.543 4.363 -0.304 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -10.064 2.825 1.520 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -11.488 3.760 1.005 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -11.316 2.057 0.516 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -8.326 2.227 -0.117 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -9.505 1.470 -1.215 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -8.446 2.772 -1.807 1.00 0.00 H new ATOM 1310 N GLU A 80 -12.156 5.890 0.328 1.00 0.00 N ATOM 1311 CA GLU A 80 -13.006 6.229 1.445 1.00 0.00 C ATOM 1312 C GLU A 80 -13.996 7.334 1.076 1.00 0.00 C ATOM 1313 O GLU A 80 -15.208 7.160 1.245 1.00 0.00 O ATOM 1314 CB GLU A 80 -12.192 6.593 2.695 1.00 0.00 C ATOM 1315 CG GLU A 80 -11.437 5.418 3.309 1.00 0.00 C ATOM 1316 CD GLU A 80 -10.770 5.764 4.624 1.00 0.00 C ATOM 1317 OE1 GLU A 80 -9.614 6.220 4.634 1.00 0.00 O ATOM 1318 OE2 GLU A 80 -11.403 5.570 5.690 1.00 0.00 O ATOM 0 H GLU A 80 -11.167 6.097 0.469 1.00 0.00 H new ATOM 0 HA GLU A 80 -13.585 5.339 1.692 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -11.478 7.375 2.436 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -12.864 7.011 3.444 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -12.129 4.591 3.466 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -10.681 5.072 2.605 1.00 0.00 H new ATOM 1325 N GLU A 81 -13.507 8.425 0.488 1.00 0.00 N ATOM 1326 CA GLU A 81 -14.382 9.542 0.147 1.00 0.00 C ATOM 1327 C GLU A 81 -15.362 9.196 -0.971 1.00 0.00 C ATOM 1328 O GLU A 81 -16.473 9.722 -0.998 1.00 0.00 O ATOM 1329 CB GLU A 81 -13.634 10.860 -0.137 1.00 0.00 C ATOM 1330 CG GLU A 81 -12.683 10.828 -1.311 1.00 0.00 C ATOM 1331 CD GLU A 81 -12.000 12.150 -1.529 1.00 0.00 C ATOM 1332 OE1 GLU A 81 -11.285 12.626 -0.636 1.00 0.00 O ATOM 1333 OE2 GLU A 81 -12.205 12.763 -2.601 1.00 0.00 O ATOM 0 H GLU A 81 -12.526 8.557 0.242 1.00 0.00 H new ATOM 0 HA GLU A 81 -14.967 9.723 1.049 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -14.370 11.645 -0.309 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -13.073 11.139 0.755 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -11.931 10.056 -1.146 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -13.231 10.552 -2.212 1.00 0.00 H new ATOM 1340 N LYS A 82 -14.964 8.326 -1.895 1.00 0.00 N ATOM 1341 CA LYS A 82 -15.865 7.938 -2.967 1.00 0.00 C ATOM 1342 C LYS A 82 -16.972 7.017 -2.460 1.00 0.00 C ATOM 1343 O LYS A 82 -18.106 7.095 -2.927 1.00 0.00 O ATOM 1344 CB LYS A 82 -15.110 7.368 -4.193 1.00 0.00 C ATOM 1345 CG LYS A 82 -14.518 5.975 -4.058 1.00 0.00 C ATOM 1346 CD LYS A 82 -15.548 4.893 -4.308 1.00 0.00 C ATOM 1347 CE LYS A 82 -14.950 3.536 -4.134 1.00 0.00 C ATOM 1348 NZ LYS A 82 -14.609 3.236 -2.726 1.00 0.00 N ATOM 0 H LYS A 82 -14.044 7.887 -1.922 1.00 0.00 H new ATOM 0 HA LYS A 82 -16.356 8.843 -3.324 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -15.796 7.363 -5.040 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -14.302 8.056 -4.442 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -13.695 5.861 -4.763 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -14.101 5.854 -3.058 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -16.385 5.017 -3.621 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -15.947 4.992 -5.317 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -15.650 2.786 -4.501 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -14.051 3.459 -4.745 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -13.649 2.839 -2.678 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -14.650 4.111 -2.165 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -15.288 2.547 -2.344 1.00 0.00 H new ATOM 1587 N THR B 110 0.849 12.267 7.825 1.00 0.00 N ATOM 1588 CA THR B 110 0.014 11.385 8.587 1.00 0.00 C ATOM 1589 C THR B 110 0.140 9.934 8.047 1.00 0.00 C ATOM 1590 O THR B 110 0.360 8.992 8.812 1.00 0.00 O ATOM 1591 CB THR B 110 -1.474 11.889 8.638 1.00 0.00 C ATOM 1592 OG1 THR B 110 -2.310 10.961 9.330 1.00 0.00 O ATOM 1593 CG2 THR B 110 -2.045 12.168 7.249 1.00 0.00 C ATOM 0 HA THR B 110 0.360 11.383 9.621 1.00 0.00 H new ATOM 0 HB THR B 110 -1.459 12.832 9.185 1.00 0.00 H new ATOM 0 HG1 THR B 110 -3.229 11.300 9.348 1.00 0.00 H new ATOM 0 HG21 THR B 110 -3.075 12.513 7.342 1.00 0.00 H new ATOM 0 HG22 THR B 110 -1.448 12.936 6.758 1.00 0.00 H new ATOM 0 HG23 THR B 110 -2.021 11.254 6.655 1.00 0.00 H new ATOM 1601 N LEU B 111 0.113 9.787 6.728 1.00 0.00 N ATOM 1602 CA LEU B 111 0.236 8.484 6.088 1.00 0.00 C ATOM 1603 C LEU B 111 1.647 7.953 6.208 1.00 0.00 C ATOM 1604 O LEU B 111 1.845 6.782 6.529 1.00 0.00 O ATOM 1605 CB LEU B 111 -0.200 8.523 4.608 1.00 0.00 C ATOM 1606 CG LEU B 111 -1.695 8.278 4.294 1.00 0.00 C ATOM 1607 CD1 LEU B 111 -2.090 6.866 4.667 1.00 0.00 C ATOM 1608 CD2 LEU B 111 -2.603 9.282 4.988 1.00 0.00 C ATOM 0 H LEU B 111 0.006 10.563 6.075 1.00 0.00 H new ATOM 0 HA LEU B 111 -0.438 7.807 6.612 1.00 0.00 H new ATOM 0 HB2 LEU B 111 0.073 9.498 4.203 1.00 0.00 H new ATOM 0 HB3 LEU B 111 0.383 7.778 4.066 1.00 0.00 H new ATOM 0 HG LEU B 111 -1.823 8.414 3.220 1.00 0.00 H new ATOM 0 HD11 LEU B 111 -3.145 6.711 4.439 1.00 0.00 H new ATOM 0 HD12 LEU B 111 -1.488 6.157 4.098 1.00 0.00 H new ATOM 0 HD13 LEU B 111 -1.922 6.711 5.733 1.00 0.00 H new ATOM 0 HD21 LEU B 111 -3.642 9.068 4.736 1.00 0.00 H new ATOM 0 HD22 LEU B 111 -2.469 9.209 6.067 1.00 0.00 H new ATOM 0 HD23 LEU B 111 -2.350 10.290 4.659 1.00 0.00 H new ATOM 1620 N GLN B 112 2.626 8.825 5.995 1.00 0.00 N ATOM 1621 CA GLN B 112 4.033 8.435 6.078 1.00 0.00 C ATOM 1622 C GLN B 112 4.350 7.974 7.495 1.00 0.00 C ATOM 1623 O GLN B 112 5.134 7.043 7.705 1.00 0.00 O ATOM 1624 CB GLN B 112 4.974 9.591 5.705 1.00 0.00 C ATOM 1625 CG GLN B 112 4.630 10.327 4.415 1.00 0.00 C ATOM 1626 CD GLN B 112 4.450 9.425 3.218 1.00 0.00 C ATOM 1627 OE1 GLN B 112 3.355 8.952 2.945 1.00 0.00 O ATOM 1628 NE2 GLN B 112 5.502 9.207 2.487 1.00 0.00 N ATOM 0 H GLN B 112 2.474 9.807 5.764 1.00 0.00 H new ATOM 0 HA GLN B 112 4.193 7.626 5.366 1.00 0.00 H new ATOM 0 HB2 GLN B 112 4.979 10.311 6.523 1.00 0.00 H new ATOM 0 HB3 GLN B 112 5.987 9.199 5.620 1.00 0.00 H new ATOM 0 HG2 GLN B 112 3.713 10.896 4.568 1.00 0.00 H new ATOM 0 HG3 GLN B 112 5.420 11.046 4.198 1.00 0.00 H new ATOM 0 HE21 GLN B 112 6.398 9.619 2.747 1.00 0.00 H new ATOM 0 HE22 GLN B 112 5.432 8.624 1.653 1.00 0.00 H new ATOM 1637 N ASP B 113 3.714 8.620 8.463 1.00 0.00 N ATOM 1638 CA ASP B 113 3.887 8.282 9.865 1.00 0.00 C ATOM 1639 C ASP B 113 3.327 6.907 10.139 1.00 0.00 C ATOM 1640 O ASP B 113 3.982 6.090 10.787 1.00 0.00 O ATOM 1641 CB ASP B 113 3.240 9.328 10.776 1.00 0.00 C ATOM 1642 CG ASP B 113 3.441 9.053 12.247 1.00 0.00 C ATOM 1643 OD1 ASP B 113 4.584 9.164 12.735 1.00 0.00 O ATOM 1644 OD2 ASP B 113 2.449 8.782 12.952 1.00 0.00 O ATOM 0 H ASP B 113 3.066 9.390 8.297 1.00 0.00 H new ATOM 0 HA ASP B 113 4.954 8.276 10.085 1.00 0.00 H new ATOM 0 HB2 ASP B 113 3.651 10.309 10.538 1.00 0.00 H new ATOM 0 HB3 ASP B 113 2.171 9.371 10.565 1.00 0.00 H new ATOM 1649 N LEU B 114 2.138 6.632 9.601 1.00 0.00 N ATOM 1650 CA LEU B 114 1.504 5.314 9.738 1.00 0.00 C ATOM 1651 C LEU B 114 2.398 4.242 9.114 1.00 0.00 C ATOM 1652 O LEU B 114 2.587 3.151 9.685 1.00 0.00 O ATOM 1653 CB LEU B 114 0.121 5.288 9.065 1.00 0.00 C ATOM 1654 CG LEU B 114 -0.899 6.330 9.545 1.00 0.00 C ATOM 1655 CD1 LEU B 114 -2.231 6.141 8.843 1.00 0.00 C ATOM 1656 CD2 LEU B 114 -1.075 6.283 11.052 1.00 0.00 C ATOM 0 H LEU B 114 1.591 7.305 9.064 1.00 0.00 H new ATOM 0 HA LEU B 114 1.371 5.111 10.801 1.00 0.00 H new ATOM 0 HB2 LEU B 114 0.262 5.419 7.992 1.00 0.00 H new ATOM 0 HB3 LEU B 114 -0.310 4.298 9.211 1.00 0.00 H new ATOM 0 HG LEU B 114 -0.510 7.315 9.288 1.00 0.00 H new ATOM 0 HD11 LEU B 114 -2.939 6.890 9.198 1.00 0.00 H new ATOM 0 HD12 LEU B 114 -2.094 6.252 7.767 1.00 0.00 H new ATOM 0 HD13 LEU B 114 -2.618 5.145 9.059 1.00 0.00 H new ATOM 0 HD21 LEU B 114 -1.804 7.034 11.357 1.00 0.00 H new ATOM 0 HD22 LEU B 114 -1.427 5.294 11.347 1.00 0.00 H new ATOM 0 HD23 LEU B 114 -0.120 6.487 11.536 1.00 0.00 H new ATOM 1668 N LEU B 115 2.953 4.567 7.939 1.00 0.00 N ATOM 1669 CA LEU B 115 3.908 3.711 7.249 1.00 0.00 C ATOM 1670 C LEU B 115 5.060 3.348 8.164 1.00 0.00 C ATOM 1671 O LEU B 115 5.267 2.173 8.461 1.00 0.00 O ATOM 1672 CB LEU B 115 4.470 4.401 5.997 1.00 0.00 C ATOM 1673 CG LEU B 115 3.838 4.080 4.625 1.00 0.00 C ATOM 1674 CD1 LEU B 115 4.190 2.668 4.192 1.00 0.00 C ATOM 1675 CD2 LEU B 115 2.326 4.270 4.633 1.00 0.00 C ATOM 0 H LEU B 115 2.747 5.435 7.444 1.00 0.00 H new ATOM 0 HA LEU B 115 3.375 2.808 6.952 1.00 0.00 H new ATOM 0 HB2 LEU B 115 4.395 5.477 6.151 1.00 0.00 H new ATOM 0 HB3 LEU B 115 5.531 4.161 5.936 1.00 0.00 H new ATOM 0 HG LEU B 115 4.253 4.786 3.906 1.00 0.00 H new ATOM 0 HD11 LEU B 115 3.736 2.461 3.223 1.00 0.00 H new ATOM 0 HD12 LEU B 115 5.273 2.571 4.113 1.00 0.00 H new ATOM 0 HD13 LEU B 115 3.815 1.957 4.928 1.00 0.00 H new ATOM 0 HD21 LEU B 115 1.924 4.033 3.648 1.00 0.00 H new ATOM 0 HD22 LEU B 115 1.880 3.608 5.375 1.00 0.00 H new ATOM 0 HD23 LEU B 115 2.091 5.305 4.881 1.00 0.00 H new ATOM 1687 N THR B 116 5.760 4.369 8.649 1.00 0.00 N ATOM 1688 CA THR B 116 6.949 4.199 9.477 1.00 0.00 C ATOM 1689 C THR B 116 6.622 3.443 10.780 1.00 0.00 C ATOM 1690 O THR B 116 7.332 2.495 11.169 1.00 0.00 O ATOM 1691 CB THR B 116 7.566 5.581 9.845 1.00 0.00 C ATOM 1692 OG1 THR B 116 7.715 6.403 8.661 1.00 0.00 O ATOM 1693 CG2 THR B 116 8.939 5.399 10.480 1.00 0.00 C ATOM 0 H THR B 116 5.516 5.344 8.477 1.00 0.00 H new ATOM 0 HA THR B 116 7.664 3.617 8.895 1.00 0.00 H new ATOM 0 HB THR B 116 6.893 6.068 10.550 1.00 0.00 H new ATOM 0 HG1 THR B 116 7.984 5.841 7.905 1.00 0.00 H new ATOM 0 HG21 THR B 116 9.356 6.374 10.731 1.00 0.00 H new ATOM 0 HG22 THR B 116 8.844 4.801 11.386 1.00 0.00 H new ATOM 0 HG23 THR B 116 9.600 4.892 9.778 1.00 0.00 H new ATOM 1701 N SER B 117 5.519 3.830 11.401 1.00 0.00 N ATOM 1702 CA SER B 117 5.130 3.300 12.699 1.00 0.00 C ATOM 1703 C SER B 117 4.857 1.798 12.660 1.00 0.00 C ATOM 1704 O SER B 117 5.337 1.050 13.516 1.00 0.00 O ATOM 1705 CB SER B 117 3.921 4.055 13.254 1.00 0.00 C ATOM 1706 OG SER B 117 4.195 5.452 13.360 1.00 0.00 O ATOM 0 H SER B 117 4.869 4.519 11.021 1.00 0.00 H new ATOM 0 HA SER B 117 5.977 3.452 13.368 1.00 0.00 H new ATOM 0 HB2 SER B 117 3.060 3.898 12.604 1.00 0.00 H new ATOM 0 HB3 SER B 117 3.658 3.657 14.234 1.00 0.00 H new ATOM 0 HG SER B 117 3.914 5.904 12.537 1.00 0.00 H new ATOM 1712 N ASP B 118 4.110 1.336 11.688 1.00 0.00 N ATOM 1713 CA ASP B 118 3.837 -0.088 11.640 1.00 0.00 C ATOM 1714 C ASP B 118 5.031 -0.875 11.130 1.00 0.00 C ATOM 1715 O ASP B 118 5.352 -1.909 11.682 1.00 0.00 O ATOM 1716 CB ASP B 118 2.607 -0.456 10.814 1.00 0.00 C ATOM 1717 CG ASP B 118 1.280 -0.030 11.375 1.00 0.00 C ATOM 1718 OD1 ASP B 118 0.730 -0.714 12.272 1.00 0.00 O ATOM 1719 OD2 ASP B 118 0.724 0.956 10.875 1.00 0.00 O ATOM 0 H ASP B 118 3.692 1.895 10.944 1.00 0.00 H new ATOM 0 HA ASP B 118 3.630 -0.360 12.675 1.00 0.00 H new ATOM 0 HB2 ASP B 118 2.716 -0.017 9.822 1.00 0.00 H new ATOM 0 HB3 ASP B 118 2.593 -1.538 10.684 1.00 0.00 H new ATOM 1724 N SER B 119 5.710 -0.370 10.109 1.00 0.00 N ATOM 1725 CA SER B 119 6.784 -1.135 9.468 1.00 0.00 C ATOM 1726 C SER B 119 8.012 -1.307 10.351 1.00 0.00 C ATOM 1727 O SER B 119 8.450 -2.422 10.618 1.00 0.00 O ATOM 1728 CB SER B 119 7.173 -0.486 8.135 1.00 0.00 C ATOM 1729 OG SER B 119 7.520 0.882 8.312 1.00 0.00 O ATOM 0 H SER B 119 5.544 0.553 9.707 1.00 0.00 H new ATOM 0 HA SER B 119 6.390 -2.136 9.291 1.00 0.00 H new ATOM 0 HB2 SER B 119 8.014 -1.024 7.697 1.00 0.00 H new ATOM 0 HB3 SER B 119 6.343 -0.566 7.433 1.00 0.00 H new ATOM 0 HG SER B 119 6.716 1.437 8.230 1.00 0.00 H new ATOM 1958 N MET B 141 -14.645 0.432 -5.884 1.00 0.00 N ATOM 1959 CA MET B 141 -13.338 1.000 -6.269 1.00 0.00 C ATOM 1960 C MET B 141 -12.662 0.054 -7.235 1.00 0.00 C ATOM 1961 O MET B 141 -11.791 0.449 -8.034 1.00 0.00 O ATOM 1962 CB MET B 141 -12.477 1.110 -5.019 1.00 0.00 C ATOM 1963 CG MET B 141 -11.203 1.934 -5.122 1.00 0.00 C ATOM 1964 SD MET B 141 -11.528 3.686 -5.450 1.00 0.00 S ATOM 1965 CE MET B 141 -9.890 4.392 -5.204 1.00 0.00 C ATOM 0 HA MET B 141 -13.471 1.978 -6.731 1.00 0.00 H new ATOM 0 HB2 MET B 141 -13.090 1.534 -4.223 1.00 0.00 H new ATOM 0 HB3 MET B 141 -12.203 0.102 -4.708 1.00 0.00 H new ATOM 0 HG2 MET B 141 -10.639 1.841 -4.194 1.00 0.00 H new ATOM 0 HG3 MET B 141 -10.577 1.530 -5.917 1.00 0.00 H new ATOM 0 HE1 MET B 141 -9.767 5.259 -5.852 1.00 0.00 H new ATOM 0 HE2 MET B 141 -9.778 4.698 -4.164 1.00 0.00 H new ATOM 0 HE3 MET B 141 -9.132 3.647 -5.447 1.00 0.00 H new ATOM 1975 N GLU B 142 -13.087 -1.206 -7.156 1.00 0.00 N ATOM 1976 CA GLU B 142 -12.577 -2.289 -7.965 1.00 0.00 C ATOM 1977 C GLU B 142 -12.475 -1.979 -9.460 1.00 0.00 C ATOM 1978 O GLU B 142 -11.717 -2.601 -10.132 1.00 0.00 O ATOM 1979 CB GLU B 142 -13.275 -3.618 -7.706 1.00 0.00 C ATOM 1980 CG GLU B 142 -12.856 -4.298 -6.405 1.00 0.00 C ATOM 1981 CD GLU B 142 -13.495 -5.657 -6.254 1.00 0.00 C ATOM 1982 OE1 GLU B 142 -13.155 -6.572 -7.025 1.00 0.00 O ATOM 1983 OE2 GLU B 142 -14.351 -5.847 -5.382 1.00 0.00 O ATOM 0 H GLU B 142 -13.816 -1.500 -6.506 1.00 0.00 H new ATOM 0 HA GLU B 142 -11.548 -2.399 -7.624 1.00 0.00 H new ATOM 0 HB2 GLU B 142 -14.352 -3.453 -7.687 1.00 0.00 H new ATOM 0 HB3 GLU B 142 -13.071 -4.292 -8.538 1.00 0.00 H new ATOM 0 HG2 GLU B 142 -11.771 -4.401 -6.382 1.00 0.00 H new ATOM 0 HG3 GLU B 142 -13.135 -3.669 -5.560 1.00 0.00 H new ATOM 1990 N SER B 143 -13.284 -1.067 -9.968 1.00 0.00 N ATOM 1991 CA SER B 143 -13.185 -0.623 -11.356 1.00 0.00 C ATOM 1992 C SER B 143 -11.747 -0.092 -11.678 1.00 0.00 C ATOM 1993 O SER B 143 -11.012 -0.650 -12.535 1.00 0.00 O ATOM 1994 CB SER B 143 -14.233 0.460 -11.576 1.00 0.00 C ATOM 1995 OG SER B 143 -15.516 -0.043 -11.228 1.00 0.00 O ATOM 0 H SER B 143 -14.027 -0.612 -9.437 1.00 0.00 H new ATOM 0 HA SER B 143 -13.367 -1.460 -12.030 1.00 0.00 H new ATOM 0 HB2 SER B 143 -13.998 1.336 -10.972 1.00 0.00 H new ATOM 0 HB3 SER B 143 -14.227 0.780 -12.618 1.00 0.00 H new ATOM 0 HG SER B 143 -16.190 0.655 -11.368 1.00 0.00 H new ATOM 2001 N ILE B 144 -11.311 0.926 -10.956 1.00 0.00 N ATOM 2002 CA ILE B 144 -9.988 1.458 -11.175 1.00 0.00 C ATOM 2003 C ILE B 144 -8.911 0.518 -10.654 1.00 0.00 C ATOM 2004 O ILE B 144 -7.777 0.525 -11.131 1.00 0.00 O ATOM 2005 CB ILE B 144 -9.802 2.965 -10.764 1.00 0.00 C ATOM 2006 CG1 ILE B 144 -10.346 3.301 -9.360 1.00 0.00 C ATOM 2007 CG2 ILE B 144 -10.442 3.875 -11.800 1.00 0.00 C ATOM 2008 CD1 ILE B 144 -9.527 2.794 -8.202 1.00 0.00 C ATOM 0 H ILE B 144 -11.849 1.391 -10.225 1.00 0.00 H new ATOM 0 HA ILE B 144 -9.858 1.499 -12.256 1.00 0.00 H new ATOM 0 HB ILE B 144 -8.726 3.136 -10.725 1.00 0.00 H new ATOM 0 HG12 ILE B 144 -10.432 4.384 -9.274 1.00 0.00 H new ATOM 0 HG13 ILE B 144 -11.353 2.894 -9.274 1.00 0.00 H new ATOM 0 HG21 ILE B 144 -10.306 4.915 -11.504 1.00 0.00 H new ATOM 0 HG22 ILE B 144 -9.972 3.709 -12.770 1.00 0.00 H new ATOM 0 HG23 ILE B 144 -11.507 3.654 -11.870 1.00 0.00 H new ATOM 0 HD11 ILE B 144 -10.001 3.087 -7.265 1.00 0.00 H new ATOM 0 HD12 ILE B 144 -9.461 1.707 -8.251 1.00 0.00 H new ATOM 0 HD13 ILE B 144 -8.525 3.221 -8.251 1.00 0.00 H new ATOM 2020 N ILE B 145 -9.294 -0.327 -9.700 1.00 0.00 N ATOM 2021 CA ILE B 145 -8.415 -1.388 -9.214 1.00 0.00 C ATOM 2022 C ILE B 145 -8.196 -2.418 -10.316 1.00 0.00 C ATOM 2023 O ILE B 145 -7.120 -2.914 -10.470 1.00 0.00 O ATOM 2024 CB ILE B 145 -9.001 -2.099 -7.971 1.00 0.00 C ATOM 2025 CG1 ILE B 145 -9.223 -1.112 -6.810 1.00 0.00 C ATOM 2026 CG2 ILE B 145 -8.195 -3.345 -7.554 1.00 0.00 C ATOM 2027 CD1 ILE B 145 -8.021 -0.238 -6.481 1.00 0.00 C ATOM 0 H ILE B 145 -10.208 -0.298 -9.248 1.00 0.00 H new ATOM 0 HA ILE B 145 -7.470 -0.926 -8.929 1.00 0.00 H new ATOM 0 HB ILE B 145 -9.982 -2.477 -8.257 1.00 0.00 H new ATOM 0 HG12 ILE B 145 -10.068 -0.468 -7.055 1.00 0.00 H new ATOM 0 HG13 ILE B 145 -9.500 -1.676 -5.919 1.00 0.00 H new ATOM 0 HG21 ILE B 145 -8.656 -3.799 -6.677 1.00 0.00 H new ATOM 0 HG22 ILE B 145 -8.187 -4.064 -8.373 1.00 0.00 H new ATOM 0 HG23 ILE B 145 -7.172 -3.054 -7.317 1.00 0.00 H new ATOM 0 HD11 ILE B 145 -8.269 0.425 -5.652 1.00 0.00 H new ATOM 0 HD12 ILE B 145 -7.178 -0.869 -6.201 1.00 0.00 H new ATOM 0 HD13 ILE B 145 -7.754 0.357 -7.354 1.00 0.00 H new ATOM 2039 N ARG B 146 -9.247 -2.709 -11.079 1.00 0.00 N ATOM 2040 CA ARG B 146 -9.207 -3.648 -12.201 1.00 0.00 C ATOM 2041 C ARG B 146 -8.179 -3.136 -13.182 1.00 0.00 C ATOM 2042 O ARG B 146 -7.326 -3.885 -13.683 1.00 0.00 O ATOM 2043 CB ARG B 146 -10.589 -3.703 -12.881 1.00 0.00 C ATOM 2044 CG ARG B 146 -10.851 -4.931 -13.747 1.00 0.00 C ATOM 2045 CD ARG B 146 -10.934 -6.191 -12.888 1.00 0.00 C ATOM 2046 NE ARG B 146 -11.930 -6.043 -11.809 1.00 0.00 N ATOM 2047 CZ ARG B 146 -11.930 -6.717 -10.650 1.00 0.00 C ATOM 2048 NH1 ARG B 146 -11.111 -7.753 -10.473 1.00 0.00 N ATOM 2049 NH2 ARG B 146 -12.796 -6.382 -9.703 1.00 0.00 N ATOM 0 H ARG B 146 -10.167 -2.293 -10.934 1.00 0.00 H new ATOM 0 HA ARG B 146 -8.949 -4.650 -11.857 1.00 0.00 H new ATOM 0 HB2 ARG B 146 -11.356 -3.656 -12.108 1.00 0.00 H new ATOM 0 HB3 ARG B 146 -10.705 -2.813 -13.500 1.00 0.00 H new ATOM 0 HG2 ARG B 146 -11.781 -4.800 -14.300 1.00 0.00 H new ATOM 0 HG3 ARG B 146 -10.055 -5.039 -14.484 1.00 0.00 H new ATOM 0 HD2 ARG B 146 -11.198 -7.043 -13.514 1.00 0.00 H new ATOM 0 HD3 ARG B 146 -9.956 -6.404 -12.456 1.00 0.00 H new ATOM 0 HE ARG B 146 -12.682 -5.371 -11.958 1.00 0.00 H new ATOM 0 HH11 ARG B 146 -10.479 -8.037 -11.222 1.00 0.00 H new ATOM 0 HH12 ARG B 146 -11.116 -8.262 -9.589 1.00 0.00 H new ATOM 0 HH21 ARG B 146 -13.453 -5.618 -9.860 1.00 0.00 H new ATOM 0 HH22 ARG B 146 -12.805 -6.888 -8.818 1.00 0.00 H new ATOM 2063 N SER B 147 -8.242 -1.838 -13.405 1.00 0.00 N ATOM 2064 CA SER B 147 -7.291 -1.155 -14.241 1.00 0.00 C ATOM 2065 C SER B 147 -5.841 -1.335 -13.721 1.00 0.00 C ATOM 2066 O SER B 147 -4.953 -1.720 -14.485 1.00 0.00 O ATOM 2067 CB SER B 147 -7.682 0.312 -14.349 1.00 0.00 C ATOM 2068 OG SER B 147 -9.020 0.424 -14.844 1.00 0.00 O ATOM 0 H SER B 147 -8.959 -1.231 -13.007 1.00 0.00 H new ATOM 0 HA SER B 147 -7.311 -1.595 -15.238 1.00 0.00 H new ATOM 0 HB2 SER B 147 -7.605 0.791 -13.373 1.00 0.00 H new ATOM 0 HB3 SER B 147 -6.994 0.833 -15.015 1.00 0.00 H new ATOM 0 HG SER B 147 -9.266 1.370 -14.910 1.00 0.00 H new ATOM 2074 N GLU B 148 -5.622 -1.120 -12.421 1.00 0.00 N ATOM 2075 CA GLU B 148 -4.283 -1.258 -11.845 1.00 0.00 C ATOM 2076 C GLU B 148 -3.831 -2.728 -11.750 1.00 0.00 C ATOM 2077 O GLU B 148 -2.665 -3.036 -11.957 1.00 0.00 O ATOM 2078 CB GLU B 148 -4.167 -0.620 -10.465 1.00 0.00 C ATOM 2079 CG GLU B 148 -4.438 0.869 -10.385 1.00 0.00 C ATOM 2080 CD GLU B 148 -4.068 1.423 -9.018 1.00 0.00 C ATOM 2081 OE1 GLU B 148 -4.655 1.013 -8.013 1.00 0.00 O ATOM 2082 OE2 GLU B 148 -3.115 2.245 -8.923 1.00 0.00 O ATOM 0 H GLU B 148 -6.346 -0.853 -11.754 1.00 0.00 H new ATOM 0 HA GLU B 148 -3.627 -0.727 -12.535 1.00 0.00 H new ATOM 0 HB2 GLU B 148 -4.859 -1.129 -9.794 1.00 0.00 H new ATOM 0 HB3 GLU B 148 -3.162 -0.805 -10.087 1.00 0.00 H new ATOM 0 HG2 GLU B 148 -3.868 1.387 -11.156 1.00 0.00 H new ATOM 0 HG3 GLU B 148 -5.492 1.061 -10.585 1.00 0.00 H new ATOM 2089 N LEU B 149 -4.736 -3.637 -11.436 1.00 0.00 N ATOM 2090 CA LEU B 149 -4.365 -5.032 -11.327 1.00 0.00 C ATOM 2091 C LEU B 149 -4.007 -5.587 -12.688 1.00 0.00 C ATOM 2092 O LEU B 149 -3.257 -6.540 -12.789 1.00 0.00 O ATOM 2093 CB LEU B 149 -5.394 -5.918 -10.526 1.00 0.00 C ATOM 2094 CG LEU B 149 -6.835 -6.055 -11.058 1.00 0.00 C ATOM 2095 CD1 LEU B 149 -6.918 -6.952 -12.292 1.00 0.00 C ATOM 2096 CD2 LEU B 149 -7.762 -6.564 -9.970 1.00 0.00 C ATOM 0 H LEU B 149 -5.720 -3.437 -11.255 1.00 0.00 H new ATOM 0 HA LEU B 149 -3.471 -5.078 -10.706 1.00 0.00 H new ATOM 0 HB2 LEU B 149 -4.975 -6.921 -10.449 1.00 0.00 H new ATOM 0 HB3 LEU B 149 -5.454 -5.519 -9.513 1.00 0.00 H new ATOM 0 HG LEU B 149 -7.157 -5.059 -11.362 1.00 0.00 H new ATOM 0 HD11 LEU B 149 -7.953 -7.015 -12.627 1.00 0.00 H new ATOM 0 HD12 LEU B 149 -6.304 -6.532 -13.089 1.00 0.00 H new ATOM 0 HD13 LEU B 149 -6.556 -7.949 -12.042 1.00 0.00 H new ATOM 0 HD21 LEU B 149 -8.773 -6.653 -10.366 1.00 0.00 H new ATOM 0 HD22 LEU B 149 -7.419 -7.540 -9.627 1.00 0.00 H new ATOM 0 HD23 LEU B 149 -7.760 -5.865 -9.134 1.00 0.00 H new ATOM 2108 N MET B 150 -4.536 -4.975 -13.730 1.00 0.00 N ATOM 2109 CA MET B 150 -4.143 -5.331 -15.066 1.00 0.00 C ATOM 2110 C MET B 150 -2.835 -4.613 -15.411 1.00 0.00 C ATOM 2111 O MET B 150 -1.801 -5.251 -15.609 1.00 0.00 O ATOM 2112 CB MET B 150 -5.236 -4.986 -16.082 1.00 0.00 C ATOM 2113 CG MET B 150 -4.905 -5.433 -17.497 1.00 0.00 C ATOM 2114 SD MET B 150 -4.681 -7.219 -17.611 1.00 0.00 S ATOM 2115 CE MET B 150 -4.256 -7.393 -19.343 1.00 0.00 C ATOM 0 H MET B 150 -5.234 -4.234 -13.671 1.00 0.00 H new ATOM 0 HA MET B 150 -3.991 -6.409 -15.113 1.00 0.00 H new ATOM 0 HB2 MET B 150 -6.171 -5.451 -15.771 1.00 0.00 H new ATOM 0 HB3 MET B 150 -5.399 -3.908 -16.078 1.00 0.00 H new ATOM 0 HG2 MET B 150 -5.705 -5.125 -18.170 1.00 0.00 H new ATOM 0 HG3 MET B 150 -3.996 -4.932 -17.831 1.00 0.00 H new ATOM 0 HE1 MET B 150 -4.086 -8.445 -19.572 1.00 0.00 H new ATOM 0 HE2 MET B 150 -5.073 -7.015 -19.958 1.00 0.00 H new ATOM 0 HE3 MET B 150 -3.350 -6.825 -19.554 1.00 0.00 H new