USER MOD reduce.3.24.130724 H: found=0, std=0, add=1064, rem=0, adj=43 USER MOD reduce.3.24.130724 removed 1058 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 17 HIS : no HE2:sc= 1.87 K(o=3.1,f=-11!) USER MOD Set 1.2: A 21 LYS NZ :NH3+ 171:sc= 1.3 (180deg=0) USER MOD Set 1.3: B 132 SER OG : rot 180:sc= 0 USER MOD Set 1.4: B 141 MET CE :methyl 170:sc= -0.0602 (180deg=0) USER MOD Set 2.1: B 102 SER OG : rot -81:sc= 1.23 USER MOD Set 2.2: B 105 HIS : no HE2:sc= -0.584 K(o=1.7,f=0.5) USER MOD Set 2.3: B 108 ASN : amide:sc= 1.04 K(o=1.7,f=-1.4) USER MOD Set 3.1: A 46 TYR OH : rot 180:sc= 0.765 USER MOD Set 3.2: A 71 LYS NZ :NH3+ -178:sc= 1.01 (180deg=0) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 LYS NZ :NH3+ 139:sc= 2.14 (180deg=1.17) USER MOD Single : A 7 HIS : no HD1:sc= -0.254 X(o=-0.25,f=0) USER MOD Single : A 9 HIS : no HD1:sc= -0.259 X(o=-0.26,f=0) USER MOD Single : A 11 THR OG1 : rot 90:sc= 1.22 USER MOD Single : A 12 GLN :FLIP amide:sc= -0.126 F(o=-1,f=-0.13) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 20 HIS : no HD1:sc= 0 X(o=0,f=-0.011) USER MOD Single : A 24 GLN : amide:sc= 0.477 K(o=0.48,f=-0.81) USER MOD Single : A 29 THR OG1 : rot -90:sc= 0.436 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 MET CE :methyl 137:sc= -3.32! (180deg=-4.26!) USER MOD Single : A 42 ASN :FLIP amide:sc= 0 F(o=-1.5!,f=0) USER MOD Single : A 48 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.056) USER MOD Single : A 49 LYS NZ :NH3+ 160:sc= -0.0376 (180deg=-0.366) USER MOD Single : A 54 MET CE :methyl 167:sc= -1.28! (180deg=-2.43!) USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 ASN : amide:sc= 0.791 K(o=0.79,f=-0.039) USER MOD Single : A 60 SER OG : rot 180:sc= 0.706 USER MOD Single : A 64 TYR OH : rot 23:sc= 0.884 USER MOD Single : A 65 TYR OH : rot 180:sc= -2.37! USER MOD Single : A 66 HIS : no HE2:sc= 0.605 K(o=0.6,f=-2.3!) USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 GLN :FLIP amide:sc= -3.01! C(o=-3.7!,f=-3!) USER MOD Single : A 77 LYS NZ :NH3+ -139:sc= -0.265! (180deg=-4.84!) USER MOD Single : A 82 LYS NZ :NH3+ 176:sc= 0.965 (180deg=0.85) USER MOD Single : A 85 SER OG : rot -4:sc= 1.07 USER MOD Single : B 103 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 104 SER OG : rot 180:sc= 0 USER MOD Single : B 106 TYR OH : rot 180:sc= 0 USER MOD Single : B 109 GLN : amide:sc= -2.42! C(o=-2.4!,f=-5.2!) USER MOD Single : B 110 THR OG1 : rot 150:sc= 1.32 USER MOD Single : B 112 GLN : amide:sc= -0.0242 K(o=-0.024,f=-1.1) USER MOD Single : B 116 THR OG1 : rot 69:sc= 1.17 USER MOD Single : B 117 SER OG : rot 77:sc= 0.723 USER MOD Single : B 119 SER OG : rot 70:sc= 1.19 USER MOD Single : B 121 SER OG : rot -163:sc= -0.765! USER MOD Single : B 122 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 123 SER OG : rot 180:sc= 0 USER MOD Single : B 128 SER OG : rot 41:sc= 0.157 USER MOD Single : B 136 SER OG : rot 131:sc= 0.955 USER MOD Single : B 139 CYS SG : rot 180:sc= 0 USER MOD Single : B 143 SER OG : rot 180:sc= 0 USER MOD Single : B 147 SER OG : rot 7:sc= 1.08 USER MOD Single : B 150 MET CE :methyl 169:sc= 0 (180deg=-0.258) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -13.771 -0.639 13.646 1.00 0.00 N ATOM 2 CA GLY A 1 -15.171 -0.249 13.523 1.00 0.00 C ATOM 3 C GLY A 1 -15.288 1.179 13.145 1.00 0.00 C ATOM 4 O GLY A 1 -14.910 2.050 13.923 1.00 0.00 O ATOM 0 H1 GLY A 1 -13.712 -1.643 13.911 1.00 0.00 H new ATOM 0 H2 GLY A 1 -13.289 -0.493 12.736 1.00 0.00 H new ATOM 0 H3 GLY A 1 -13.312 -0.060 14.378 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -15.662 -0.870 12.773 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -15.686 -0.423 14.468 1.00 0.00 H new ATOM 10 N VAL A 2 -15.753 1.442 11.951 1.00 0.00 N ATOM 11 CA VAL A 2 -15.946 2.801 11.542 1.00 0.00 C ATOM 12 C VAL A 2 -17.411 3.171 11.637 1.00 0.00 C ATOM 13 O VAL A 2 -18.294 2.367 11.322 1.00 0.00 O ATOM 14 CB VAL A 2 -15.379 3.124 10.118 1.00 0.00 C ATOM 15 CG1 VAL A 2 -13.883 2.882 10.069 1.00 0.00 C ATOM 16 CG2 VAL A 2 -16.075 2.330 9.024 1.00 0.00 C ATOM 0 H VAL A 2 -16.001 0.739 11.255 1.00 0.00 H new ATOM 0 HA VAL A 2 -15.366 3.414 12.232 1.00 0.00 H new ATOM 0 HB VAL A 2 -15.577 4.179 9.931 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -13.510 3.112 9.071 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -13.387 3.522 10.799 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -13.676 1.838 10.302 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -15.646 2.590 8.056 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -15.940 1.264 9.206 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -17.139 2.566 9.024 1.00 0.00 H new ATOM 26 N ARG A 3 -17.670 4.373 12.066 1.00 0.00 N ATOM 27 CA ARG A 3 -19.037 4.864 12.227 1.00 0.00 C ATOM 28 C ARG A 3 -19.444 5.647 11.000 1.00 0.00 C ATOM 29 O ARG A 3 -20.231 6.590 11.052 1.00 0.00 O ATOM 30 CB ARG A 3 -19.238 5.697 13.533 1.00 0.00 C ATOM 31 CG ARG A 3 -18.418 6.996 13.683 1.00 0.00 C ATOM 32 CD ARG A 3 -16.994 6.749 14.169 1.00 0.00 C ATOM 33 NE ARG A 3 -16.961 6.124 15.483 1.00 0.00 N ATOM 34 CZ ARG A 3 -15.914 5.477 16.000 1.00 0.00 C ATOM 35 NH1 ARG A 3 -14.788 5.341 15.300 1.00 0.00 N ATOM 36 NH2 ARG A 3 -16.010 4.953 17.210 1.00 0.00 N ATOM 0 H ARG A 3 -16.951 5.051 12.318 1.00 0.00 H new ATOM 0 HA ARG A 3 -19.689 3.997 12.331 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -20.294 5.955 13.608 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -19.006 5.053 14.382 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -18.384 7.511 12.723 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -18.925 7.660 14.383 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -16.473 6.113 13.453 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -16.455 7.696 14.205 1.00 0.00 H new ATOM 0 HE ARG A 3 -17.804 6.185 16.054 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -14.721 5.733 14.361 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -13.993 4.845 15.704 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -16.878 5.045 17.738 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -15.216 4.456 17.615 1.00 0.00 H new ATOM 50 N LYS A 4 -18.954 5.189 9.886 1.00 0.00 N ATOM 51 CA LYS A 4 -19.104 5.867 8.646 1.00 0.00 C ATOM 52 C LYS A 4 -19.841 4.980 7.672 1.00 0.00 C ATOM 53 O LYS A 4 -19.367 3.893 7.328 1.00 0.00 O ATOM 54 CB LYS A 4 -17.720 6.241 8.146 1.00 0.00 C ATOM 55 CG LYS A 4 -16.949 7.009 9.188 1.00 0.00 C ATOM 56 CD LYS A 4 -15.520 7.306 8.804 1.00 0.00 C ATOM 57 CE LYS A 4 -14.909 8.220 9.829 1.00 0.00 C ATOM 58 NZ LYS A 4 -13.683 8.871 9.340 1.00 0.00 N ATOM 0 H LYS A 4 -18.430 4.316 9.820 1.00 0.00 H new ATOM 0 HA LYS A 4 -19.692 6.778 8.760 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -17.172 5.338 7.878 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -17.808 6.841 7.240 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -17.464 7.949 9.385 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -16.953 6.442 10.119 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -14.949 6.380 8.740 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -15.485 7.771 7.819 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -15.635 8.983 10.110 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -14.680 7.650 10.730 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -13.673 9.865 9.644 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -12.852 8.382 9.728 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -13.657 8.827 8.301 1.00 0.00 H new ATOM 72 N GLY A 5 -20.996 5.455 7.240 1.00 0.00 N ATOM 73 CA GLY A 5 -21.900 4.721 6.363 1.00 0.00 C ATOM 74 C GLY A 5 -21.286 4.251 5.063 1.00 0.00 C ATOM 75 O GLY A 5 -21.779 3.297 4.451 1.00 0.00 O ATOM 0 H GLY A 5 -21.342 6.381 7.493 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -22.281 3.854 6.902 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -22.756 5.356 6.135 1.00 0.00 H new ATOM 79 N TRP A 6 -20.200 4.879 4.641 1.00 0.00 N ATOM 80 CA TRP A 6 -19.527 4.471 3.429 1.00 0.00 C ATOM 81 C TRP A 6 -18.951 3.063 3.531 1.00 0.00 C ATOM 82 O TRP A 6 -18.582 2.478 2.515 1.00 0.00 O ATOM 83 CB TRP A 6 -18.450 5.467 2.987 1.00 0.00 C ATOM 84 CG TRP A 6 -17.360 5.710 3.979 1.00 0.00 C ATOM 85 CD1 TRP A 6 -17.266 6.761 4.801 1.00 0.00 C ATOM 86 CD2 TRP A 6 -16.208 4.898 4.241 1.00 0.00 C ATOM 87 NE1 TRP A 6 -16.119 6.689 5.528 1.00 0.00 N ATOM 88 CE2 TRP A 6 -15.464 5.550 5.228 1.00 0.00 C ATOM 89 CE3 TRP A 6 -15.736 3.695 3.739 1.00 0.00 C ATOM 90 CZ2 TRP A 6 -14.279 5.041 5.724 1.00 0.00 C ATOM 91 CZ3 TRP A 6 -14.566 3.194 4.232 1.00 0.00 C ATOM 92 CH2 TRP A 6 -13.854 3.862 5.210 1.00 0.00 C ATOM 0 H TRP A 6 -19.771 5.670 5.121 1.00 0.00 H new ATOM 0 HA TRP A 6 -20.296 4.460 2.657 1.00 0.00 H new ATOM 0 HB2 TRP A 6 -18.002 5.106 2.061 1.00 0.00 H new ATOM 0 HB3 TRP A 6 -18.930 6.419 2.759 1.00 0.00 H new ATOM 0 HD1 TRP A 6 -17.996 7.553 4.877 1.00 0.00 H new ATOM 0 HE1 TRP A 6 -15.803 7.390 6.198 1.00 0.00 H new ATOM 0 HE3 TRP A 6 -16.283 3.165 2.973 1.00 0.00 H new ATOM 0 HZ2 TRP A 6 -13.717 5.560 6.487 1.00 0.00 H new ATOM 0 HZ3 TRP A 6 -14.189 2.257 3.850 1.00 0.00 H new ATOM 0 HH2 TRP A 6 -12.933 3.432 5.575 1.00 0.00 H new ATOM 103 N HIS A 7 -18.856 2.511 4.757 1.00 0.00 N ATOM 104 CA HIS A 7 -18.371 1.130 4.921 1.00 0.00 C ATOM 105 C HIS A 7 -19.270 0.086 4.208 1.00 0.00 C ATOM 106 O HIS A 7 -18.884 -1.063 4.045 1.00 0.00 O ATOM 107 CB HIS A 7 -18.093 0.738 6.405 1.00 0.00 C ATOM 108 CG HIS A 7 -19.278 0.684 7.359 1.00 0.00 C ATOM 109 ND1 HIS A 7 -19.147 0.497 8.724 1.00 0.00 N ATOM 110 CD2 HIS A 7 -20.615 0.765 7.129 1.00 0.00 C ATOM 111 CE1 HIS A 7 -20.362 0.468 9.262 1.00 0.00 C ATOM 112 NE2 HIS A 7 -21.299 0.626 8.336 1.00 0.00 N ATOM 0 H HIS A 7 -19.102 2.986 5.625 1.00 0.00 H new ATOM 0 HA HIS A 7 -17.404 1.112 4.418 1.00 0.00 H new ATOM 0 HB2 HIS A 7 -17.615 -0.242 6.409 1.00 0.00 H new ATOM 0 HB3 HIS A 7 -17.370 1.447 6.809 1.00 0.00 H new ATOM 0 HD2 HIS A 7 -21.075 0.914 6.163 1.00 0.00 H new ATOM 0 HE1 HIS A 7 -20.561 0.333 10.315 1.00 0.00 H new ATOM 0 HE2 HIS A 7 -22.309 0.642 8.478 1.00 0.00 H new ATOM 120 N GLU A 8 -20.459 0.500 3.786 1.00 0.00 N ATOM 121 CA GLU A 8 -21.357 -0.375 3.032 1.00 0.00 C ATOM 122 C GLU A 8 -20.950 -0.391 1.561 1.00 0.00 C ATOM 123 O GLU A 8 -21.327 -1.275 0.798 1.00 0.00 O ATOM 124 CB GLU A 8 -22.791 0.139 3.098 1.00 0.00 C ATOM 125 CG GLU A 8 -23.383 0.254 4.480 1.00 0.00 C ATOM 126 CD GLU A 8 -24.828 0.668 4.415 1.00 0.00 C ATOM 127 OE1 GLU A 8 -25.694 -0.208 4.259 1.00 0.00 O ATOM 128 OE2 GLU A 8 -25.137 1.885 4.491 1.00 0.00 O ATOM 0 H GLU A 8 -20.827 1.437 3.952 1.00 0.00 H new ATOM 0 HA GLU A 8 -21.292 -1.372 3.469 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -22.828 1.120 2.625 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -23.422 -0.524 2.507 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -23.298 -0.702 4.997 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -22.818 0.982 5.062 1.00 0.00 H new ATOM 135 N HIS A 9 -20.161 0.586 1.191 1.00 0.00 N ATOM 136 CA HIS A 9 -19.810 0.843 -0.197 1.00 0.00 C ATOM 137 C HIS A 9 -18.384 0.400 -0.485 1.00 0.00 C ATOM 138 O HIS A 9 -17.767 0.827 -1.470 1.00 0.00 O ATOM 139 CB HIS A 9 -19.927 2.347 -0.472 1.00 0.00 C ATOM 140 CG HIS A 9 -21.297 2.936 -0.267 1.00 0.00 C ATOM 141 ND1 HIS A 9 -22.129 3.357 -1.282 1.00 0.00 N ATOM 142 CD2 HIS A 9 -21.956 3.210 0.887 1.00 0.00 C ATOM 143 CE1 HIS A 9 -23.233 3.860 -0.727 1.00 0.00 C ATOM 144 NE2 HIS A 9 -23.175 3.794 0.597 1.00 0.00 N ATOM 0 H HIS A 9 -19.735 1.238 1.849 1.00 0.00 H new ATOM 0 HA HIS A 9 -20.489 0.281 -0.838 1.00 0.00 H new ATOM 0 HB2 HIS A 9 -19.224 2.873 0.174 1.00 0.00 H new ATOM 0 HB3 HIS A 9 -19.619 2.536 -1.500 1.00 0.00 H new ATOM 0 HD2 HIS A 9 -21.585 3.003 1.880 1.00 0.00 H new ATOM 0 HE1 HIS A 9 -24.065 4.267 -1.282 1.00 0.00 H new ATOM 0 HE2 HIS A 9 -23.882 4.108 1.262 1.00 0.00 H new ATOM 152 N VAL A 10 -17.868 -0.434 0.359 1.00 0.00 N ATOM 153 CA VAL A 10 -16.528 -0.927 0.224 1.00 0.00 C ATOM 154 C VAL A 10 -16.485 -2.358 0.744 1.00 0.00 C ATOM 155 O VAL A 10 -17.026 -2.654 1.815 1.00 0.00 O ATOM 156 CB VAL A 10 -15.512 0.016 0.959 1.00 0.00 C ATOM 157 CG1 VAL A 10 -15.805 0.176 2.432 1.00 0.00 C ATOM 158 CG2 VAL A 10 -14.070 -0.372 0.713 1.00 0.00 C ATOM 0 H VAL A 10 -18.367 -0.798 1.171 1.00 0.00 H new ATOM 0 HA VAL A 10 -16.228 -0.933 -0.824 1.00 0.00 H new ATOM 0 HB VAL A 10 -15.657 0.998 0.509 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -15.066 0.840 2.880 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -16.800 0.602 2.561 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -15.761 -0.798 2.920 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -13.412 0.315 1.246 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -13.900 -1.388 1.071 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -13.857 -0.323 -0.355 1.00 0.00 H new ATOM 168 N THR A 11 -15.927 -3.242 -0.029 1.00 0.00 N ATOM 169 CA THR A 11 -15.889 -4.626 0.336 1.00 0.00 C ATOM 170 C THR A 11 -14.472 -4.991 0.788 1.00 0.00 C ATOM 171 O THR A 11 -13.511 -4.252 0.489 1.00 0.00 O ATOM 172 CB THR A 11 -16.254 -5.478 -0.886 1.00 0.00 C ATOM 173 OG1 THR A 11 -17.221 -4.768 -1.690 1.00 0.00 O ATOM 174 CG2 THR A 11 -16.854 -6.786 -0.444 1.00 0.00 C ATOM 0 H THR A 11 -15.488 -3.026 -0.924 1.00 0.00 H new ATOM 0 HA THR A 11 -16.596 -4.811 1.145 1.00 0.00 H new ATOM 0 HB THR A 11 -15.352 -5.672 -1.466 1.00 0.00 H new ATOM 0 HG1 THR A 11 -16.754 -4.213 -2.349 1.00 0.00 H new ATOM 0 HG21 THR A 11 -17.110 -7.383 -1.319 1.00 0.00 H new ATOM 0 HG22 THR A 11 -16.133 -7.329 0.168 1.00 0.00 H new ATOM 0 HG23 THR A 11 -17.754 -6.594 0.140 1.00 0.00 H new ATOM 182 N GLN A 12 -14.331 -6.127 1.490 1.00 0.00 N ATOM 183 CA GLN A 12 -13.033 -6.607 1.936 1.00 0.00 C ATOM 184 C GLN A 12 -12.106 -6.808 0.749 1.00 0.00 C ATOM 185 O GLN A 12 -10.924 -6.541 0.831 1.00 0.00 O ATOM 186 CB GLN A 12 -13.155 -7.909 2.750 1.00 0.00 C ATOM 187 CG GLN A 12 -11.817 -8.402 3.310 1.00 0.00 C ATOM 188 CD GLN A 12 -11.329 -9.718 2.708 1.00 0.00 C ATOM 189 OE1 GLN A 12 -11.729 -10.023 1.489 1.00 0.00 O flip ATOM 190 NE2 GLN A 12 -10.606 -10.470 3.362 1.00 0.00 N flip ATOM 0 H GLN A 12 -15.112 -6.727 1.757 1.00 0.00 H new ATOM 0 HA GLN A 12 -12.608 -5.847 2.592 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -13.849 -7.750 3.575 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -13.584 -8.686 2.117 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -11.061 -7.636 3.139 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -11.911 -8.523 4.389 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -10.313 -10.206 4.303 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -10.300 -11.357 2.963 1.00 0.00 H new ATOM 199 N ASP A 13 -12.669 -7.253 -0.345 1.00 0.00 N ATOM 200 CA ASP A 13 -11.924 -7.475 -1.579 1.00 0.00 C ATOM 201 C ASP A 13 -11.237 -6.200 -2.075 1.00 0.00 C ATOM 202 O ASP A 13 -10.064 -6.235 -2.418 1.00 0.00 O ATOM 203 CB ASP A 13 -12.839 -8.024 -2.662 1.00 0.00 C ATOM 204 CG ASP A 13 -12.102 -8.320 -3.941 1.00 0.00 C ATOM 205 OD1 ASP A 13 -11.588 -9.450 -4.094 1.00 0.00 O ATOM 206 OD2 ASP A 13 -12.057 -7.459 -4.824 1.00 0.00 O ATOM 0 H ASP A 13 -13.662 -7.476 -0.415 1.00 0.00 H new ATOM 0 HA ASP A 13 -11.147 -8.206 -1.356 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -13.317 -8.935 -2.302 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -13.633 -7.305 -2.862 1.00 0.00 H new ATOM 211 N LEU A 14 -11.942 -5.057 -1.990 1.00 0.00 N ATOM 212 CA LEU A 14 -11.420 -3.789 -2.517 1.00 0.00 C ATOM 213 C LEU A 14 -10.267 -3.387 -1.668 1.00 0.00 C ATOM 214 O LEU A 14 -9.165 -3.164 -2.143 1.00 0.00 O ATOM 215 CB LEU A 14 -12.537 -2.696 -2.482 1.00 0.00 C ATOM 216 CG LEU A 14 -12.234 -1.250 -3.010 1.00 0.00 C ATOM 217 CD1 LEU A 14 -11.416 -0.442 -2.032 1.00 0.00 C ATOM 218 CD2 LEU A 14 -11.528 -1.272 -4.350 1.00 0.00 C ATOM 0 H LEU A 14 -12.867 -4.988 -1.565 1.00 0.00 H new ATOM 0 HA LEU A 14 -11.100 -3.905 -3.552 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -13.384 -3.079 -3.052 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -12.866 -2.601 -1.447 1.00 0.00 H new ATOM 0 HG LEU A 14 -13.206 -0.772 -3.129 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -11.233 0.551 -2.444 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -11.959 -0.350 -1.092 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -10.464 -0.942 -1.854 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -11.338 -0.250 -4.678 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -10.582 -1.804 -4.254 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -12.156 -1.777 -5.084 1.00 0.00 H new ATOM 230 N ARG A 15 -10.521 -3.368 -0.399 1.00 0.00 N ATOM 231 CA ARG A 15 -9.563 -2.937 0.549 1.00 0.00 C ATOM 232 C ARG A 15 -8.340 -3.826 0.594 1.00 0.00 C ATOM 233 O ARG A 15 -7.232 -3.338 0.565 1.00 0.00 O ATOM 234 CB ARG A 15 -10.199 -2.767 1.890 1.00 0.00 C ATOM 235 CG ARG A 15 -10.859 -3.961 2.461 1.00 0.00 C ATOM 236 CD ARG A 15 -11.699 -3.544 3.606 1.00 0.00 C ATOM 237 NE ARG A 15 -10.904 -2.779 4.597 1.00 0.00 N ATOM 238 CZ ARG A 15 -11.112 -2.748 5.909 1.00 0.00 C ATOM 239 NH1 ARG A 15 -12.175 -3.349 6.439 1.00 0.00 N ATOM 240 NH2 ARG A 15 -10.253 -2.097 6.688 1.00 0.00 N ATOM 0 H ARG A 15 -11.412 -3.656 0.006 1.00 0.00 H new ATOM 0 HA ARG A 15 -9.195 -1.963 0.227 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -9.434 -2.431 2.591 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -10.938 -1.969 1.819 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -11.471 -4.452 1.704 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -10.112 -4.685 2.786 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -12.528 -2.933 3.250 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -12.133 -4.423 4.083 1.00 0.00 H new ATOM 0 HE ARG A 15 -10.126 -2.226 4.238 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -12.837 -3.838 5.837 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -12.327 -3.320 7.447 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -9.445 -1.629 6.277 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -10.402 -2.066 7.697 1.00 0.00 H new ATOM 254 N SER A 16 -8.548 -5.130 0.575 1.00 0.00 N ATOM 255 CA SER A 16 -7.464 -6.077 0.607 1.00 0.00 C ATOM 256 C SER A 16 -6.642 -5.986 -0.684 1.00 0.00 C ATOM 257 O SER A 16 -5.438 -6.237 -0.678 1.00 0.00 O ATOM 258 CB SER A 16 -8.016 -7.493 0.842 1.00 0.00 C ATOM 259 OG SER A 16 -6.997 -8.489 0.836 1.00 0.00 O ATOM 0 H SER A 16 -9.474 -5.555 0.537 1.00 0.00 H new ATOM 0 HA SER A 16 -6.795 -5.840 1.434 1.00 0.00 H new ATOM 0 HB2 SER A 16 -8.539 -7.520 1.798 1.00 0.00 H new ATOM 0 HB3 SER A 16 -8.750 -7.725 0.070 1.00 0.00 H new ATOM 0 HG SER A 16 -7.399 -9.369 0.991 1.00 0.00 H new ATOM 265 N HIS A 17 -7.287 -5.583 -1.770 1.00 0.00 N ATOM 266 CA HIS A 17 -6.612 -5.400 -3.041 1.00 0.00 C ATOM 267 C HIS A 17 -5.656 -4.209 -2.921 1.00 0.00 C ATOM 268 O HIS A 17 -4.512 -4.248 -3.401 1.00 0.00 O ATOM 269 CB HIS A 17 -7.639 -5.138 -4.153 1.00 0.00 C ATOM 270 CG HIS A 17 -7.074 -5.179 -5.542 1.00 0.00 C ATOM 271 ND1 HIS A 17 -7.086 -6.293 -6.355 1.00 0.00 N ATOM 272 CD2 HIS A 17 -6.489 -4.199 -6.260 1.00 0.00 C ATOM 273 CE1 HIS A 17 -6.514 -5.965 -7.512 1.00 0.00 C ATOM 274 NE2 HIS A 17 -6.129 -4.695 -7.506 1.00 0.00 N ATOM 0 H HIS A 17 -8.285 -5.376 -1.792 1.00 0.00 H new ATOM 0 HA HIS A 17 -6.053 -6.301 -3.294 1.00 0.00 H new ATOM 0 HB2 HIS A 17 -8.436 -5.878 -4.076 1.00 0.00 H new ATOM 0 HB3 HIS A 17 -8.094 -4.161 -3.988 1.00 0.00 H new ATOM 0 HD1 HIS A 17 -7.466 -7.208 -6.113 1.00 0.00 H new ATOM 0 HD2 HIS A 17 -6.326 -3.187 -5.919 1.00 0.00 H new ATOM 0 HE1 HIS A 17 -6.381 -6.642 -8.343 1.00 0.00 H new ATOM 282 N LEU A 18 -6.136 -3.169 -2.273 1.00 0.00 N ATOM 283 CA LEU A 18 -5.351 -1.971 -2.012 1.00 0.00 C ATOM 284 C LEU A 18 -4.221 -2.298 -1.041 1.00 0.00 C ATOM 285 O LEU A 18 -3.105 -1.856 -1.225 1.00 0.00 O ATOM 286 CB LEU A 18 -6.251 -0.822 -1.497 1.00 0.00 C ATOM 287 CG LEU A 18 -7.066 -0.011 -2.557 1.00 0.00 C ATOM 288 CD1 LEU A 18 -7.729 -0.879 -3.597 1.00 0.00 C ATOM 289 CD2 LEU A 18 -8.139 0.784 -1.883 1.00 0.00 C ATOM 0 H LEU A 18 -7.088 -3.126 -1.908 1.00 0.00 H new ATOM 0 HA LEU A 18 -4.903 -1.623 -2.943 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -6.957 -1.243 -0.781 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -5.621 -0.121 -0.949 1.00 0.00 H new ATOM 0 HG LEU A 18 -6.341 0.631 -3.057 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -8.277 -0.251 -4.300 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -6.970 -1.448 -4.134 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -8.420 -1.567 -3.110 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -8.700 1.345 -2.630 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -8.813 0.110 -1.353 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -7.687 1.477 -1.173 1.00 0.00 H new ATOM 301 N VAL A 19 -4.533 -3.110 -0.037 1.00 0.00 N ATOM 302 CA VAL A 19 -3.554 -3.639 0.933 1.00 0.00 C ATOM 303 C VAL A 19 -2.434 -4.395 0.186 1.00 0.00 C ATOM 304 O VAL A 19 -1.242 -4.197 0.444 1.00 0.00 O ATOM 305 CB VAL A 19 -4.255 -4.634 1.917 1.00 0.00 C ATOM 306 CG1 VAL A 19 -3.277 -5.314 2.793 1.00 0.00 C ATOM 307 CG2 VAL A 19 -5.268 -3.946 2.778 1.00 0.00 C ATOM 0 H VAL A 19 -5.486 -3.430 0.137 1.00 0.00 H new ATOM 0 HA VAL A 19 -3.133 -2.803 1.491 1.00 0.00 H new ATOM 0 HB VAL A 19 -4.757 -5.372 1.291 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -3.801 -5.997 3.462 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -2.570 -5.876 2.182 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -2.738 -4.572 3.381 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -5.731 -4.672 3.446 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -4.778 -3.171 3.368 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -6.033 -3.493 2.148 1.00 0.00 H new ATOM 317 N HIS A 20 -2.848 -5.255 -0.721 1.00 0.00 N ATOM 318 CA HIS A 20 -1.958 -6.024 -1.575 1.00 0.00 C ATOM 319 C HIS A 20 -1.001 -5.087 -2.333 1.00 0.00 C ATOM 320 O HIS A 20 0.224 -5.247 -2.278 1.00 0.00 O ATOM 321 CB HIS A 20 -2.823 -6.862 -2.537 1.00 0.00 C ATOM 322 CG HIS A 20 -2.099 -7.510 -3.664 1.00 0.00 C ATOM 323 ND1 HIS A 20 -2.229 -7.100 -4.967 1.00 0.00 N ATOM 324 CD2 HIS A 20 -1.245 -8.553 -3.677 1.00 0.00 C ATOM 325 CE1 HIS A 20 -1.475 -7.876 -5.723 1.00 0.00 C ATOM 326 NE2 HIS A 20 -0.845 -8.790 -4.995 1.00 0.00 N ATOM 0 H HIS A 20 -3.836 -5.445 -0.891 1.00 0.00 H new ATOM 0 HA HIS A 20 -1.337 -6.693 -0.979 1.00 0.00 H new ATOM 0 HB2 HIS A 20 -3.326 -7.638 -1.960 1.00 0.00 H new ATOM 0 HB3 HIS A 20 -3.599 -6.218 -2.951 1.00 0.00 H new ATOM 0 HD2 HIS A 20 -0.923 -9.113 -2.812 1.00 0.00 H new ATOM 0 HE1 HIS A 20 -1.383 -7.780 -6.795 1.00 0.00 H new ATOM 0 HE2 HIS A 20 -0.205 -9.512 -5.327 1.00 0.00 H new ATOM 334 N LYS A 21 -1.574 -4.102 -2.993 1.00 0.00 N ATOM 335 CA LYS A 21 -0.812 -3.105 -3.724 1.00 0.00 C ATOM 336 C LYS A 21 0.101 -2.308 -2.794 1.00 0.00 C ATOM 337 O LYS A 21 1.249 -2.009 -3.150 1.00 0.00 O ATOM 338 CB LYS A 21 -1.752 -2.201 -4.513 1.00 0.00 C ATOM 339 CG LYS A 21 -2.145 -2.774 -5.869 1.00 0.00 C ATOM 340 CD LYS A 21 -3.343 -2.045 -6.466 1.00 0.00 C ATOM 341 CE LYS A 21 -3.452 -2.241 -7.986 1.00 0.00 C ATOM 342 NZ LYS A 21 -3.648 -3.636 -8.392 1.00 0.00 N ATOM 0 H LYS A 21 -2.584 -3.968 -3.039 1.00 0.00 H new ATOM 0 HA LYS A 21 -0.162 -3.617 -4.434 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -2.653 -2.025 -3.926 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -1.274 -1.233 -4.661 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -1.299 -2.703 -6.553 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -2.380 -3.833 -5.762 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -4.256 -2.403 -5.990 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -3.264 -0.981 -6.245 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -4.283 -1.643 -8.361 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -2.547 -1.859 -8.458 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -3.864 -3.675 -9.409 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -2.781 -4.178 -8.202 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -4.438 -4.046 -7.854 1.00 0.00 H new ATOM 356 N LEU A 22 -0.415 -1.984 -1.608 1.00 0.00 N ATOM 357 CA LEU A 22 0.340 -1.314 -0.561 1.00 0.00 C ATOM 358 C LEU A 22 1.626 -2.042 -0.273 1.00 0.00 C ATOM 359 O LEU A 22 2.690 -1.429 -0.334 1.00 0.00 O ATOM 360 CB LEU A 22 -0.504 -1.158 0.708 1.00 0.00 C ATOM 361 CG LEU A 22 -1.329 0.125 0.818 1.00 0.00 C ATOM 362 CD1 LEU A 22 -2.438 -0.050 1.842 1.00 0.00 C ATOM 363 CD2 LEU A 22 -0.430 1.230 1.294 1.00 0.00 C ATOM 0 H LEU A 22 -1.381 -2.184 -1.349 1.00 0.00 H new ATOM 0 HA LEU A 22 0.596 -0.316 -0.916 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -1.183 -2.008 0.774 1.00 0.00 H new ATOM 0 HB3 LEU A 22 0.161 -1.213 1.570 1.00 0.00 H new ATOM 0 HG LEU A 22 -1.761 0.356 -0.155 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -3.018 0.870 1.911 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -3.090 -0.868 1.536 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -2.002 -0.278 2.815 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -1.002 2.154 1.378 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -0.017 0.969 2.268 1.00 0.00 H new ATOM 0 HD23 LEU A 22 0.383 1.370 0.581 1.00 0.00 H new ATOM 375 N VAL A 23 1.530 -3.355 -0.009 1.00 0.00 N ATOM 376 CA VAL A 23 2.714 -4.200 0.204 1.00 0.00 C ATOM 377 C VAL A 23 3.649 -4.079 -0.974 1.00 0.00 C ATOM 378 O VAL A 23 4.792 -3.827 -0.796 1.00 0.00 O ATOM 379 CB VAL A 23 2.353 -5.710 0.358 1.00 0.00 C ATOM 380 CG1 VAL A 23 3.616 -6.573 0.339 1.00 0.00 C ATOM 381 CG2 VAL A 23 1.626 -5.944 1.642 1.00 0.00 C ATOM 0 H VAL A 23 0.643 -3.854 0.062 1.00 0.00 H new ATOM 0 HA VAL A 23 3.179 -3.851 1.126 1.00 0.00 H new ATOM 0 HB VAL A 23 1.714 -5.987 -0.480 1.00 0.00 H new ATOM 0 HG11 VAL A 23 3.341 -7.622 0.448 1.00 0.00 H new ATOM 0 HG12 VAL A 23 4.139 -6.431 -0.606 1.00 0.00 H new ATOM 0 HG13 VAL A 23 4.268 -6.281 1.162 1.00 0.00 H new ATOM 0 HG21 VAL A 23 1.381 -7.002 1.734 1.00 0.00 H new ATOM 0 HG22 VAL A 23 2.258 -5.644 2.478 1.00 0.00 H new ATOM 0 HG23 VAL A 23 0.708 -5.357 1.652 1.00 0.00 H new ATOM 391 N GLN A 24 3.120 -4.209 -2.177 1.00 0.00 N ATOM 392 CA GLN A 24 3.951 -4.204 -3.385 1.00 0.00 C ATOM 393 C GLN A 24 4.797 -2.929 -3.534 1.00 0.00 C ATOM 394 O GLN A 24 5.905 -2.975 -4.078 1.00 0.00 O ATOM 395 CB GLN A 24 3.119 -4.430 -4.633 1.00 0.00 C ATOM 396 CG GLN A 24 2.311 -5.709 -4.610 1.00 0.00 C ATOM 397 CD GLN A 24 1.720 -6.017 -5.953 1.00 0.00 C ATOM 398 OE1 GLN A 24 0.618 -5.592 -6.294 1.00 0.00 O ATOM 399 NE2 GLN A 24 2.442 -6.752 -6.727 1.00 0.00 N ATOM 0 H GLN A 24 2.121 -4.320 -2.352 1.00 0.00 H new ATOM 0 HA GLN A 24 4.645 -5.036 -3.267 1.00 0.00 H new ATOM 0 HB2 GLN A 24 2.441 -3.586 -4.763 1.00 0.00 H new ATOM 0 HB3 GLN A 24 3.780 -4.445 -5.500 1.00 0.00 H new ATOM 0 HG2 GLN A 24 2.948 -6.536 -4.294 1.00 0.00 H new ATOM 0 HG3 GLN A 24 1.513 -5.622 -3.873 1.00 0.00 H new ATOM 0 HE21 GLN A 24 3.352 -7.087 -6.410 1.00 0.00 H new ATOM 0 HE22 GLN A 24 2.104 -6.999 -7.657 1.00 0.00 H new ATOM 408 N ALA A 25 4.259 -1.805 -3.105 1.00 0.00 N ATOM 409 CA ALA A 25 4.996 -0.558 -3.124 1.00 0.00 C ATOM 410 C ALA A 25 5.927 -0.418 -1.906 1.00 0.00 C ATOM 411 O ALA A 25 7.075 -0.041 -2.039 1.00 0.00 O ATOM 412 CB ALA A 25 4.037 0.591 -3.164 1.00 0.00 C ATOM 0 H ALA A 25 3.310 -1.730 -2.738 1.00 0.00 H new ATOM 0 HA ALA A 25 5.621 -0.555 -4.017 1.00 0.00 H new ATOM 0 HB1 ALA A 25 4.593 1.529 -3.178 1.00 0.00 H new ATOM 0 HB2 ALA A 25 3.422 0.520 -4.061 1.00 0.00 H new ATOM 0 HB3 ALA A 25 3.397 0.562 -2.282 1.00 0.00 H new ATOM 418 N ILE A 26 5.419 -0.728 -0.720 1.00 0.00 N ATOM 419 CA ILE A 26 6.187 -0.525 0.520 1.00 0.00 C ATOM 420 C ILE A 26 7.250 -1.628 0.681 1.00 0.00 C ATOM 421 O ILE A 26 8.270 -1.457 1.344 1.00 0.00 O ATOM 422 CB ILE A 26 5.220 -0.427 1.762 1.00 0.00 C ATOM 423 CG1 ILE A 26 5.912 0.132 3.042 1.00 0.00 C ATOM 424 CG2 ILE A 26 4.554 -1.766 2.042 1.00 0.00 C ATOM 425 CD1 ILE A 26 6.520 -0.906 3.977 1.00 0.00 C ATOM 0 H ILE A 26 4.487 -1.118 -0.582 1.00 0.00 H new ATOM 0 HA ILE A 26 6.720 0.424 0.460 1.00 0.00 H new ATOM 0 HB ILE A 26 4.451 0.297 1.492 1.00 0.00 H new ATOM 0 HG12 ILE A 26 6.699 0.821 2.735 1.00 0.00 H new ATOM 0 HG13 ILE A 26 5.180 0.713 3.603 1.00 0.00 H new ATOM 0 HG21 ILE A 26 3.893 -1.670 2.903 1.00 0.00 H new ATOM 0 HG22 ILE A 26 3.974 -2.073 1.172 1.00 0.00 H new ATOM 0 HG23 ILE A 26 5.317 -2.515 2.252 1.00 0.00 H new ATOM 0 HD11 ILE A 26 6.973 -0.404 4.832 1.00 0.00 H new ATOM 0 HD12 ILE A 26 5.740 -1.583 4.325 1.00 0.00 H new ATOM 0 HD13 ILE A 26 7.282 -1.474 3.444 1.00 0.00 H new ATOM 437 N PHE A 27 6.998 -2.718 0.050 1.00 0.00 N ATOM 438 CA PHE A 27 7.867 -3.843 -0.004 1.00 0.00 C ATOM 439 C PHE A 27 7.948 -4.293 -1.465 1.00 0.00 C ATOM 440 O PHE A 27 7.155 -5.134 -1.895 1.00 0.00 O ATOM 441 CB PHE A 27 7.327 -4.986 0.889 1.00 0.00 C ATOM 442 CG PHE A 27 7.376 -4.711 2.369 1.00 0.00 C ATOM 443 CD1 PHE A 27 8.591 -4.626 3.032 1.00 0.00 C ATOM 444 CD2 PHE A 27 6.211 -4.555 3.102 1.00 0.00 C ATOM 445 CE1 PHE A 27 8.640 -4.386 4.394 1.00 0.00 C ATOM 446 CE2 PHE A 27 6.254 -4.314 4.464 1.00 0.00 C ATOM 447 CZ PHE A 27 7.470 -4.231 5.110 1.00 0.00 C ATOM 0 H PHE A 27 6.133 -2.859 -0.472 1.00 0.00 H new ATOM 0 HA PHE A 27 8.857 -3.579 0.367 1.00 0.00 H new ATOM 0 HB2 PHE A 27 6.295 -5.192 0.606 1.00 0.00 H new ATOM 0 HB3 PHE A 27 7.900 -5.890 0.683 1.00 0.00 H new ATOM 0 HD1 PHE A 27 9.510 -4.749 2.479 1.00 0.00 H new ATOM 0 HD2 PHE A 27 5.255 -4.622 2.603 1.00 0.00 H new ATOM 0 HE1 PHE A 27 9.594 -4.320 4.897 1.00 0.00 H new ATOM 0 HE2 PHE A 27 5.337 -4.191 5.021 1.00 0.00 H new ATOM 0 HZ PHE A 27 7.507 -4.045 6.173 1.00 0.00 H new ATOM 457 N PRO A 28 8.845 -3.667 -2.273 1.00 0.00 N ATOM 458 CA PRO A 28 8.978 -3.981 -3.703 1.00 0.00 C ATOM 459 C PRO A 28 9.332 -5.446 -3.914 1.00 0.00 C ATOM 460 O PRO A 28 10.457 -5.868 -3.647 1.00 0.00 O ATOM 461 CB PRO A 28 10.114 -3.062 -4.189 1.00 0.00 C ATOM 462 CG PRO A 28 10.822 -2.629 -2.949 1.00 0.00 C ATOM 463 CD PRO A 28 9.789 -2.614 -1.859 1.00 0.00 C ATOM 0 HA PRO A 28 8.049 -3.820 -4.250 1.00 0.00 H new ATOM 0 HB2 PRO A 28 10.788 -3.591 -4.863 1.00 0.00 H new ATOM 0 HB3 PRO A 28 9.721 -2.206 -4.738 1.00 0.00 H new ATOM 0 HG2 PRO A 28 11.634 -3.314 -2.706 1.00 0.00 H new ATOM 0 HG3 PRO A 28 11.265 -1.642 -3.079 1.00 0.00 H new ATOM 0 HD2 PRO A 28 10.229 -2.828 -0.885 1.00 0.00 H new ATOM 0 HD3 PRO A 28 9.300 -1.643 -1.781 1.00 0.00 H new ATOM 471 N THR A 29 8.375 -6.212 -4.368 1.00 0.00 N ATOM 472 CA THR A 29 8.542 -7.624 -4.460 1.00 0.00 C ATOM 473 C THR A 29 9.265 -8.028 -5.764 1.00 0.00 C ATOM 474 O THR A 29 9.010 -7.466 -6.838 1.00 0.00 O ATOM 475 CB THR A 29 7.178 -8.367 -4.297 1.00 0.00 C ATOM 476 OG1 THR A 29 7.393 -9.761 -4.071 1.00 0.00 O ATOM 477 CG2 THR A 29 6.273 -8.185 -5.513 1.00 0.00 C ATOM 0 H THR A 29 7.466 -5.870 -4.681 1.00 0.00 H new ATOM 0 HA THR A 29 9.181 -7.935 -3.634 1.00 0.00 H new ATOM 0 HB THR A 29 6.678 -7.925 -3.435 1.00 0.00 H new ATOM 0 HG1 THR A 29 7.409 -10.233 -4.930 1.00 0.00 H new ATOM 0 HG21 THR A 29 5.337 -8.720 -5.353 1.00 0.00 H new ATOM 0 HG22 THR A 29 6.065 -7.125 -5.657 1.00 0.00 H new ATOM 0 HG23 THR A 29 6.770 -8.581 -6.399 1.00 0.00 H new ATOM 485 N PRO A 30 10.216 -8.971 -5.672 1.00 0.00 N ATOM 486 CA PRO A 30 10.956 -9.461 -6.828 1.00 0.00 C ATOM 487 C PRO A 30 10.173 -10.502 -7.617 1.00 0.00 C ATOM 488 O PRO A 30 10.448 -10.755 -8.795 1.00 0.00 O ATOM 489 CB PRO A 30 12.190 -10.105 -6.204 1.00 0.00 C ATOM 490 CG PRO A 30 11.746 -10.562 -4.855 1.00 0.00 C ATOM 491 CD PRO A 30 10.682 -9.599 -4.410 1.00 0.00 C ATOM 0 HA PRO A 30 11.177 -8.663 -7.537 1.00 0.00 H new ATOM 0 HB2 PRO A 30 12.546 -10.941 -6.806 1.00 0.00 H new ATOM 0 HB3 PRO A 30 13.012 -9.393 -6.129 1.00 0.00 H new ATOM 0 HG2 PRO A 30 11.356 -11.579 -4.898 1.00 0.00 H new ATOM 0 HG3 PRO A 30 12.580 -10.570 -4.154 1.00 0.00 H new ATOM 0 HD2 PRO A 30 9.869 -10.112 -3.895 1.00 0.00 H new ATOM 0 HD3 PRO A 30 11.080 -8.857 -3.718 1.00 0.00 H new ATOM 499 N ASP A 31 9.198 -11.091 -6.972 1.00 0.00 N ATOM 500 CA ASP A 31 8.411 -12.151 -7.551 1.00 0.00 C ATOM 501 C ASP A 31 7.100 -12.257 -6.833 1.00 0.00 C ATOM 502 O ASP A 31 6.980 -11.782 -5.709 1.00 0.00 O ATOM 503 CB ASP A 31 9.151 -13.493 -7.474 1.00 0.00 C ATOM 504 CG ASP A 31 9.524 -13.937 -6.092 1.00 0.00 C ATOM 505 OD1 ASP A 31 10.636 -13.620 -5.632 1.00 0.00 O ATOM 506 OD2 ASP A 31 8.746 -14.672 -5.469 1.00 0.00 O ATOM 0 H ASP A 31 8.925 -10.846 -6.020 1.00 0.00 H new ATOM 0 HA ASP A 31 8.238 -11.914 -8.601 1.00 0.00 H new ATOM 0 HB2 ASP A 31 8.526 -14.261 -7.929 1.00 0.00 H new ATOM 0 HB3 ASP A 31 10.059 -13.424 -8.074 1.00 0.00 H new ATOM 511 N PRO A 32 6.077 -12.855 -7.445 1.00 0.00 N ATOM 512 CA PRO A 32 4.792 -12.991 -6.804 1.00 0.00 C ATOM 513 C PRO A 32 4.738 -14.107 -5.750 1.00 0.00 C ATOM 514 O PRO A 32 3.718 -14.296 -5.084 1.00 0.00 O ATOM 515 CB PRO A 32 3.826 -13.250 -7.948 1.00 0.00 C ATOM 516 CG PRO A 32 4.649 -13.882 -9.016 1.00 0.00 C ATOM 517 CD PRO A 32 6.061 -13.391 -8.828 1.00 0.00 C ATOM 0 HA PRO A 32 4.547 -12.095 -6.234 1.00 0.00 H new ATOM 0 HB2 PRO A 32 3.013 -13.906 -7.637 1.00 0.00 H new ATOM 0 HB3 PRO A 32 3.371 -12.323 -8.297 1.00 0.00 H new ATOM 0 HG2 PRO A 32 4.605 -14.969 -8.945 1.00 0.00 H new ATOM 0 HG3 PRO A 32 4.274 -13.612 -10.003 1.00 0.00 H new ATOM 0 HD2 PRO A 32 6.783 -14.198 -8.951 1.00 0.00 H new ATOM 0 HD3 PRO A 32 6.316 -12.621 -9.557 1.00 0.00 H new ATOM 525 N ALA A 33 5.828 -14.825 -5.565 1.00 0.00 N ATOM 526 CA ALA A 33 5.831 -15.872 -4.574 1.00 0.00 C ATOM 527 C ALA A 33 6.402 -15.365 -3.258 1.00 0.00 C ATOM 528 O ALA A 33 6.220 -15.969 -2.202 1.00 0.00 O ATOM 529 CB ALA A 33 6.526 -17.130 -5.052 1.00 0.00 C ATOM 0 H ALA A 33 6.702 -14.704 -6.077 1.00 0.00 H new ATOM 0 HA ALA A 33 4.793 -16.158 -4.402 1.00 0.00 H new ATOM 0 HB1 ALA A 33 6.497 -17.883 -4.265 1.00 0.00 H new ATOM 0 HB2 ALA A 33 6.019 -17.512 -5.938 1.00 0.00 H new ATOM 0 HB3 ALA A 33 7.563 -16.902 -5.298 1.00 0.00 H new ATOM 535 N ALA A 34 7.093 -14.253 -3.318 1.00 0.00 N ATOM 536 CA ALA A 34 7.560 -13.557 -2.124 1.00 0.00 C ATOM 537 C ALA A 34 6.352 -12.973 -1.388 1.00 0.00 C ATOM 538 O ALA A 34 6.395 -12.668 -0.200 1.00 0.00 O ATOM 539 CB ALA A 34 8.550 -12.467 -2.524 1.00 0.00 C ATOM 0 H ALA A 34 7.352 -13.797 -4.193 1.00 0.00 H new ATOM 0 HA ALA A 34 8.074 -14.247 -1.455 1.00 0.00 H new ATOM 0 HB1 ALA A 34 8.899 -11.947 -1.632 1.00 0.00 H new ATOM 0 HB2 ALA A 34 9.400 -12.918 -3.037 1.00 0.00 H new ATOM 0 HB3 ALA A 34 8.060 -11.757 -3.190 1.00 0.00 H new ATOM 545 N LEU A 35 5.251 -12.917 -2.112 1.00 0.00 N ATOM 546 CA LEU A 35 4.003 -12.390 -1.628 1.00 0.00 C ATOM 547 C LEU A 35 3.182 -13.464 -0.925 1.00 0.00 C ATOM 548 O LEU A 35 2.065 -13.218 -0.517 1.00 0.00 O ATOM 549 CB LEU A 35 3.197 -11.888 -2.792 1.00 0.00 C ATOM 550 CG LEU A 35 3.887 -10.886 -3.682 1.00 0.00 C ATOM 551 CD1 LEU A 35 3.097 -10.700 -4.945 1.00 0.00 C ATOM 552 CD2 LEU A 35 4.048 -9.574 -2.949 1.00 0.00 C ATOM 0 H LEU A 35 5.205 -13.247 -3.076 1.00 0.00 H new ATOM 0 HA LEU A 35 4.229 -11.590 -0.923 1.00 0.00 H new ATOM 0 HB2 LEU A 35 2.900 -12.743 -3.400 1.00 0.00 H new ATOM 0 HB3 LEU A 35 2.282 -11.436 -2.409 1.00 0.00 H new ATOM 0 HG LEU A 35 4.878 -11.255 -3.946 1.00 0.00 H new ATOM 0 HD11 LEU A 35 3.600 -9.975 -5.585 1.00 0.00 H new ATOM 0 HD12 LEU A 35 3.018 -11.653 -5.468 1.00 0.00 H new ATOM 0 HD13 LEU A 35 2.099 -10.337 -4.700 1.00 0.00 H new ATOM 0 HD21 LEU A 35 4.547 -8.854 -3.597 1.00 0.00 H new ATOM 0 HD22 LEU A 35 3.067 -9.191 -2.669 1.00 0.00 H new ATOM 0 HD23 LEU A 35 4.646 -9.730 -2.051 1.00 0.00 H new ATOM 564 N LYS A 36 3.703 -14.657 -0.835 1.00 0.00 N ATOM 565 CA LYS A 36 2.994 -15.745 -0.165 1.00 0.00 C ATOM 566 C LYS A 36 3.950 -16.448 0.773 1.00 0.00 C ATOM 567 O LYS A 36 3.773 -17.609 1.149 1.00 0.00 O ATOM 568 CB LYS A 36 2.403 -16.702 -1.204 1.00 0.00 C ATOM 569 CG LYS A 36 3.437 -17.331 -2.104 1.00 0.00 C ATOM 570 CD LYS A 36 2.815 -18.093 -3.262 1.00 0.00 C ATOM 571 CE LYS A 36 2.087 -17.161 -4.228 1.00 0.00 C ATOM 572 NZ LYS A 36 1.528 -17.884 -5.380 1.00 0.00 N ATOM 0 H LYS A 36 4.615 -14.914 -1.213 1.00 0.00 H new ATOM 0 HA LYS A 36 2.164 -15.353 0.422 1.00 0.00 H new ATOM 0 HB2 LYS A 36 1.854 -17.490 -0.689 1.00 0.00 H new ATOM 0 HB3 LYS A 36 1.682 -16.160 -1.816 1.00 0.00 H new ATOM 0 HG2 LYS A 36 4.094 -16.554 -2.496 1.00 0.00 H new ATOM 0 HG3 LYS A 36 4.059 -18.009 -1.519 1.00 0.00 H new ATOM 0 HD2 LYS A 36 3.592 -18.637 -3.798 1.00 0.00 H new ATOM 0 HD3 LYS A 36 2.116 -18.834 -2.875 1.00 0.00 H new ATOM 0 HE2 LYS A 36 1.284 -16.647 -3.699 1.00 0.00 H new ATOM 0 HE3 LYS A 36 2.777 -16.395 -4.582 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 1.043 -17.213 -6.009 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 2.296 -18.354 -5.901 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 0.849 -18.598 -5.046 1.00 0.00 H new ATOM 586 N ASP A 37 4.952 -15.707 1.166 1.00 0.00 N ATOM 587 CA ASP A 37 5.984 -16.176 2.060 1.00 0.00 C ATOM 588 C ASP A 37 5.468 -16.056 3.482 1.00 0.00 C ATOM 589 O ASP A 37 4.432 -15.438 3.715 1.00 0.00 O ATOM 590 CB ASP A 37 7.194 -15.273 1.892 1.00 0.00 C ATOM 591 CG ASP A 37 8.418 -15.726 2.615 1.00 0.00 C ATOM 592 OD1 ASP A 37 9.088 -16.648 2.144 1.00 0.00 O ATOM 593 OD2 ASP A 37 8.711 -15.148 3.661 1.00 0.00 O ATOM 0 H ASP A 37 5.079 -14.740 0.869 1.00 0.00 H new ATOM 0 HA ASP A 37 6.252 -17.211 1.845 1.00 0.00 H new ATOM 0 HB2 ASP A 37 7.425 -15.193 0.830 1.00 0.00 H new ATOM 0 HB3 ASP A 37 6.934 -14.273 2.238 1.00 0.00 H new ATOM 598 N ARG A 38 6.180 -16.596 4.425 1.00 0.00 N ATOM 599 CA ARG A 38 5.778 -16.516 5.810 1.00 0.00 C ATOM 600 C ARG A 38 5.950 -15.073 6.319 1.00 0.00 C ATOM 601 O ARG A 38 5.264 -14.621 7.227 1.00 0.00 O ATOM 602 CB ARG A 38 6.574 -17.527 6.653 1.00 0.00 C ATOM 603 CG ARG A 38 7.945 -17.075 7.204 1.00 0.00 C ATOM 604 CD ARG A 38 9.001 -16.885 6.128 1.00 0.00 C ATOM 605 NE ARG A 38 9.393 -18.140 5.484 1.00 0.00 N ATOM 606 CZ ARG A 38 10.525 -18.311 4.778 1.00 0.00 C ATOM 607 NH1 ARG A 38 11.401 -17.306 4.657 1.00 0.00 N ATOM 608 NH2 ARG A 38 10.774 -19.490 4.204 1.00 0.00 N ATOM 0 H ARG A 38 7.051 -17.102 4.265 1.00 0.00 H new ATOM 0 HA ARG A 38 4.724 -16.777 5.903 1.00 0.00 H new ATOM 0 HB2 ARG A 38 5.953 -17.823 7.498 1.00 0.00 H new ATOM 0 HB3 ARG A 38 6.733 -18.419 6.047 1.00 0.00 H new ATOM 0 HG2 ARG A 38 7.818 -16.138 7.746 1.00 0.00 H new ATOM 0 HG3 ARG A 38 8.300 -17.814 7.923 1.00 0.00 H new ATOM 0 HD2 ARG A 38 8.622 -16.198 5.372 1.00 0.00 H new ATOM 0 HD3 ARG A 38 9.882 -16.419 6.569 1.00 0.00 H new ATOM 0 HE ARG A 38 8.765 -18.939 5.577 1.00 0.00 H new ATOM 0 HH11 ARG A 38 11.211 -16.408 5.101 1.00 0.00 H new ATOM 0 HH12 ARG A 38 12.259 -17.439 4.121 1.00 0.00 H new ATOM 0 HH21 ARG A 38 10.107 -20.256 4.302 1.00 0.00 H new ATOM 0 HH22 ARG A 38 11.631 -19.625 3.667 1.00 0.00 H new ATOM 622 N ARG A 39 6.856 -14.362 5.677 1.00 0.00 N ATOM 623 CA ARG A 39 7.165 -12.973 5.965 1.00 0.00 C ATOM 624 C ARG A 39 6.090 -12.060 5.376 1.00 0.00 C ATOM 625 O ARG A 39 5.950 -10.881 5.769 1.00 0.00 O ATOM 626 CB ARG A 39 8.531 -12.710 5.375 1.00 0.00 C ATOM 627 CG ARG A 39 9.028 -11.293 5.339 1.00 0.00 C ATOM 628 CD ARG A 39 10.448 -11.285 4.806 1.00 0.00 C ATOM 629 NE ARG A 39 10.597 -12.176 3.632 1.00 0.00 N ATOM 630 CZ ARG A 39 11.606 -12.158 2.764 1.00 0.00 C ATOM 631 NH1 ARG A 39 12.618 -11.316 2.925 1.00 0.00 N ATOM 632 NH2 ARG A 39 11.610 -13.019 1.756 1.00 0.00 N ATOM 0 H ARG A 39 7.416 -14.746 4.916 1.00 0.00 H new ATOM 0 HA ARG A 39 7.178 -12.769 7.036 1.00 0.00 H new ATOM 0 HB2 ARG A 39 9.255 -13.303 5.934 1.00 0.00 H new ATOM 0 HB3 ARG A 39 8.531 -13.089 4.353 1.00 0.00 H new ATOM 0 HG2 ARG A 39 8.384 -10.683 4.705 1.00 0.00 H new ATOM 0 HG3 ARG A 39 8.998 -10.857 6.338 1.00 0.00 H new ATOM 0 HD2 ARG A 39 10.727 -10.268 4.529 1.00 0.00 H new ATOM 0 HD3 ARG A 39 11.134 -11.601 5.592 1.00 0.00 H new ATOM 0 HE ARG A 39 9.861 -12.864 3.475 1.00 0.00 H new ATOM 0 HH11 ARG A 39 12.627 -10.676 3.719 1.00 0.00 H new ATOM 0 HH12 ARG A 39 13.387 -11.309 2.255 1.00 0.00 H new ATOM 0 HH21 ARG A 39 10.845 -13.686 1.652 1.00 0.00 H new ATOM 0 HH22 ARG A 39 12.378 -13.015 1.085 1.00 0.00 H new ATOM 646 N MET A 40 5.297 -12.622 4.470 1.00 0.00 N ATOM 647 CA MET A 40 4.186 -11.910 3.869 1.00 0.00 C ATOM 648 C MET A 40 3.200 -11.462 4.916 1.00 0.00 C ATOM 649 O MET A 40 2.667 -10.379 4.803 1.00 0.00 O ATOM 650 CB MET A 40 3.535 -12.719 2.713 1.00 0.00 C ATOM 651 CG MET A 40 2.039 -12.470 2.407 1.00 0.00 C ATOM 652 SD MET A 40 1.541 -10.738 2.124 1.00 0.00 S ATOM 653 CE MET A 40 2.675 -10.183 0.879 1.00 0.00 C ATOM 0 H MET A 40 5.409 -13.579 4.136 1.00 0.00 H new ATOM 0 HA MET A 40 4.576 -11.004 3.405 1.00 0.00 H new ATOM 0 HB2 MET A 40 4.100 -12.516 1.803 1.00 0.00 H new ATOM 0 HB3 MET A 40 3.659 -13.779 2.936 1.00 0.00 H new ATOM 0 HG2 MET A 40 1.771 -13.050 1.524 1.00 0.00 H new ATOM 0 HG3 MET A 40 1.451 -12.862 3.237 1.00 0.00 H new ATOM 0 HE1 MET A 40 2.137 -9.601 0.130 1.00 0.00 H new ATOM 0 HE2 MET A 40 3.444 -9.561 1.338 1.00 0.00 H new ATOM 0 HE3 MET A 40 3.142 -11.045 0.402 1.00 0.00 H new ATOM 663 N GLU A 41 3.034 -12.239 5.995 1.00 0.00 N ATOM 664 CA GLU A 41 2.088 -11.833 7.014 1.00 0.00 C ATOM 665 C GLU A 41 2.506 -10.510 7.635 1.00 0.00 C ATOM 666 O GLU A 41 1.684 -9.710 7.930 1.00 0.00 O ATOM 667 CB GLU A 41 1.795 -12.932 8.068 1.00 0.00 C ATOM 668 CG GLU A 41 2.846 -13.198 9.151 1.00 0.00 C ATOM 669 CD GLU A 41 2.880 -12.170 10.260 1.00 0.00 C ATOM 670 OE1 GLU A 41 1.846 -11.998 10.964 1.00 0.00 O ATOM 671 OE2 GLU A 41 3.916 -11.532 10.457 1.00 0.00 O ATOM 0 H GLU A 41 3.525 -13.115 6.172 1.00 0.00 H new ATOM 0 HA GLU A 41 1.131 -11.679 6.516 1.00 0.00 H new ATOM 0 HB2 GLU A 41 0.861 -12.673 8.567 1.00 0.00 H new ATOM 0 HB3 GLU A 41 1.623 -13.867 7.535 1.00 0.00 H new ATOM 0 HG2 GLU A 41 2.658 -14.179 9.588 1.00 0.00 H new ATOM 0 HG3 GLU A 41 3.829 -13.241 8.682 1.00 0.00 H new ATOM 678 N ASN A 42 3.813 -10.283 7.741 1.00 0.00 N ATOM 679 CA ASN A 42 4.354 -9.035 8.296 1.00 0.00 C ATOM 680 C ASN A 42 4.115 -7.907 7.327 1.00 0.00 C ATOM 681 O ASN A 42 3.656 -6.825 7.704 1.00 0.00 O ATOM 682 CB ASN A 42 5.869 -9.173 8.583 1.00 0.00 C ATOM 683 CG ASN A 42 6.560 -7.840 8.911 1.00 0.00 C ATOM 684 OD1 ASN A 42 7.123 -7.200 7.899 1.00 0.00 O flip ATOM 685 ND2 ASN A 42 6.615 -7.414 10.067 1.00 0.00 N flip ATOM 0 H ASN A 42 4.526 -10.951 7.448 1.00 0.00 H new ATOM 0 HA ASN A 42 3.846 -8.822 9.236 1.00 0.00 H new ATOM 0 HB2 ASN A 42 6.011 -9.860 9.417 1.00 0.00 H new ATOM 0 HB3 ASN A 42 6.355 -9.620 7.716 1.00 0.00 H new ATOM 0 HD21 ASN A 42 6.170 -7.933 10.824 1.00 0.00 H new ATOM 0 HD22 ASN A 42 7.106 -6.542 10.267 1.00 0.00 H new ATOM 692 N LEU A 43 4.417 -8.181 6.066 1.00 0.00 N ATOM 693 CA LEU A 43 4.252 -7.206 4.994 1.00 0.00 C ATOM 694 C LEU A 43 2.784 -6.766 4.902 1.00 0.00 C ATOM 695 O LEU A 43 2.461 -5.564 4.948 1.00 0.00 O ATOM 696 CB LEU A 43 4.695 -7.824 3.657 1.00 0.00 C ATOM 697 CG LEU A 43 6.017 -8.625 3.648 1.00 0.00 C ATOM 698 CD1 LEU A 43 6.345 -9.122 2.252 1.00 0.00 C ATOM 699 CD2 LEU A 43 7.165 -7.812 4.196 1.00 0.00 C ATOM 0 H LEU A 43 4.782 -9.082 5.756 1.00 0.00 H new ATOM 0 HA LEU A 43 4.869 -6.334 5.210 1.00 0.00 H new ATOM 0 HB2 LEU A 43 3.899 -8.483 3.310 1.00 0.00 H new ATOM 0 HB3 LEU A 43 4.783 -7.020 2.927 1.00 0.00 H new ATOM 0 HG LEU A 43 5.874 -9.487 4.299 1.00 0.00 H new ATOM 0 HD11 LEU A 43 7.280 -9.682 2.275 1.00 0.00 H new ATOM 0 HD12 LEU A 43 5.543 -9.770 1.899 1.00 0.00 H new ATOM 0 HD13 LEU A 43 6.448 -8.272 1.578 1.00 0.00 H new ATOM 0 HD21 LEU A 43 8.077 -8.409 4.174 1.00 0.00 H new ATOM 0 HD22 LEU A 43 7.301 -6.918 3.587 1.00 0.00 H new ATOM 0 HD23 LEU A 43 6.947 -7.521 5.224 1.00 0.00 H new ATOM 711 N VAL A 44 1.898 -7.741 4.838 1.00 0.00 N ATOM 712 CA VAL A 44 0.491 -7.480 4.698 1.00 0.00 C ATOM 713 C VAL A 44 -0.092 -6.938 6.005 1.00 0.00 C ATOM 714 O VAL A 44 -1.037 -6.180 5.977 1.00 0.00 O ATOM 715 CB VAL A 44 -0.297 -8.735 4.199 1.00 0.00 C ATOM 716 CG1 VAL A 44 -0.510 -9.781 5.279 1.00 0.00 C ATOM 717 CG2 VAL A 44 -1.592 -8.355 3.512 1.00 0.00 C ATOM 0 H VAL A 44 2.139 -8.731 4.882 1.00 0.00 H new ATOM 0 HA VAL A 44 0.377 -6.715 3.930 1.00 0.00 H new ATOM 0 HB VAL A 44 0.340 -9.208 3.451 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -1.063 -10.624 4.865 1.00 0.00 H new ATOM 0 HG12 VAL A 44 0.456 -10.126 5.647 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -1.077 -9.345 6.102 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -2.107 -9.257 3.181 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -2.227 -7.809 4.210 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -1.375 -7.725 2.650 1.00 0.00 H new ATOM 727 N ALA A 45 0.500 -7.314 7.140 1.00 0.00 N ATOM 728 CA ALA A 45 0.054 -6.822 8.445 1.00 0.00 C ATOM 729 C ALA A 45 0.204 -5.302 8.504 1.00 0.00 C ATOM 730 O ALA A 45 -0.739 -4.587 8.894 1.00 0.00 O ATOM 731 CB ALA A 45 0.798 -7.508 9.603 1.00 0.00 C ATOM 0 H ALA A 45 1.290 -7.958 7.182 1.00 0.00 H new ATOM 0 HA ALA A 45 -1.000 -7.074 8.563 1.00 0.00 H new ATOM 0 HB1 ALA A 45 0.436 -7.113 10.552 1.00 0.00 H new ATOM 0 HB2 ALA A 45 0.619 -8.582 9.565 1.00 0.00 H new ATOM 0 HB3 ALA A 45 1.867 -7.315 9.514 1.00 0.00 H new ATOM 737 N TYR A 46 1.372 -4.813 8.062 1.00 0.00 N ATOM 738 CA TYR A 46 1.625 -3.374 7.925 1.00 0.00 C ATOM 739 C TYR A 46 0.628 -2.769 6.965 1.00 0.00 C ATOM 740 O TYR A 46 0.047 -1.722 7.242 1.00 0.00 O ATOM 741 CB TYR A 46 3.072 -3.096 7.411 1.00 0.00 C ATOM 742 CG TYR A 46 3.246 -1.703 6.774 1.00 0.00 C ATOM 743 CD1 TYR A 46 2.969 -1.506 5.416 1.00 0.00 C ATOM 744 CD2 TYR A 46 3.628 -0.599 7.514 1.00 0.00 C ATOM 745 CE1 TYR A 46 3.069 -0.272 4.835 1.00 0.00 C ATOM 746 CE2 TYR A 46 3.726 0.649 6.920 1.00 0.00 C ATOM 747 CZ TYR A 46 3.446 0.799 5.585 1.00 0.00 C ATOM 748 OH TYR A 46 3.542 2.042 4.999 1.00 0.00 O ATOM 0 H TYR A 46 2.161 -5.400 7.792 1.00 0.00 H new ATOM 0 HA TYR A 46 1.518 -2.920 8.910 1.00 0.00 H new ATOM 0 HB2 TYR A 46 3.769 -3.195 8.243 1.00 0.00 H new ATOM 0 HB3 TYR A 46 3.340 -3.857 6.678 1.00 0.00 H new ATOM 0 HD1 TYR A 46 2.669 -2.350 4.812 1.00 0.00 H new ATOM 0 HD2 TYR A 46 3.852 -0.711 8.565 1.00 0.00 H new ATOM 0 HE1 TYR A 46 2.850 -0.148 3.785 1.00 0.00 H new ATOM 0 HE2 TYR A 46 4.023 1.505 7.508 1.00 0.00 H new ATOM 0 HH TYR A 46 3.822 2.699 5.670 1.00 0.00 H new ATOM 758 N ALA A 47 0.443 -3.413 5.836 1.00 0.00 N ATOM 759 CA ALA A 47 -0.434 -2.880 4.829 1.00 0.00 C ATOM 760 C ALA A 47 -1.852 -2.747 5.364 1.00 0.00 C ATOM 761 O ALA A 47 -2.485 -1.735 5.163 1.00 0.00 O ATOM 762 CB ALA A 47 -0.369 -3.708 3.580 1.00 0.00 C ATOM 0 H ALA A 47 0.886 -4.300 5.596 1.00 0.00 H new ATOM 0 HA ALA A 47 -0.099 -1.877 4.566 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -1.040 -3.289 2.830 1.00 0.00 H new ATOM 0 HB2 ALA A 47 0.651 -3.707 3.196 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -0.671 -4.731 3.805 1.00 0.00 H new ATOM 768 N LYS A 48 -2.295 -3.750 6.107 1.00 0.00 N ATOM 769 CA LYS A 48 -3.603 -3.741 6.750 1.00 0.00 C ATOM 770 C LYS A 48 -3.716 -2.622 7.775 1.00 0.00 C ATOM 771 O LYS A 48 -4.696 -1.902 7.790 1.00 0.00 O ATOM 772 CB LYS A 48 -3.858 -5.067 7.453 1.00 0.00 C ATOM 773 CG LYS A 48 -4.058 -6.256 6.532 1.00 0.00 C ATOM 774 CD LYS A 48 -4.030 -7.545 7.329 1.00 0.00 C ATOM 775 CE LYS A 48 -4.270 -8.768 6.458 1.00 0.00 C ATOM 776 NZ LYS A 48 -5.634 -8.805 5.883 1.00 0.00 N ATOM 0 H LYS A 48 -1.756 -4.598 6.283 1.00 0.00 H new ATOM 0 HA LYS A 48 -4.343 -3.581 5.966 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -3.018 -5.277 8.115 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -4.741 -4.962 8.083 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -5.010 -6.164 6.009 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -3.277 -6.272 5.772 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -3.065 -7.640 7.827 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -4.789 -7.503 8.110 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -3.539 -8.781 5.649 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -4.106 -9.668 7.051 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -5.782 -9.713 5.398 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -6.335 -8.701 6.644 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -5.745 -8.027 5.202 1.00 0.00 H new ATOM 790 N LYS A 49 -2.700 -2.473 8.617 1.00 0.00 N ATOM 791 CA LYS A 49 -2.745 -1.481 9.694 1.00 0.00 C ATOM 792 C LYS A 49 -2.804 -0.054 9.123 1.00 0.00 C ATOM 793 O LYS A 49 -3.561 0.817 9.609 1.00 0.00 O ATOM 794 CB LYS A 49 -1.562 -1.682 10.686 1.00 0.00 C ATOM 795 CG LYS A 49 -0.203 -1.406 10.170 1.00 0.00 C ATOM 796 CD LYS A 49 0.844 -1.715 11.224 1.00 0.00 C ATOM 797 CE LYS A 49 2.173 -1.065 10.907 1.00 0.00 C ATOM 798 NZ LYS A 49 2.102 0.409 11.008 1.00 0.00 N ATOM 0 H LYS A 49 -1.840 -3.020 8.579 1.00 0.00 H new ATOM 0 HA LYS A 49 -3.661 -1.629 10.266 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -1.733 -1.042 11.552 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -1.588 -2.712 11.041 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -0.018 -2.007 9.279 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -0.128 -0.361 9.871 1.00 0.00 H new ATOM 0 HD2 LYS A 49 0.493 -1.369 12.196 1.00 0.00 H new ATOM 0 HD3 LYS A 49 0.976 -2.794 11.299 1.00 0.00 H new ATOM 0 HE2 LYS A 49 2.933 -1.440 11.592 1.00 0.00 H new ATOM 0 HE3 LYS A 49 2.484 -1.346 9.901 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 3.061 0.796 11.122 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 1.673 0.796 10.143 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 1.522 0.673 11.830 1.00 0.00 H new ATOM 812 N VAL A 50 -2.064 0.149 8.059 1.00 0.00 N ATOM 813 CA VAL A 50 -2.018 1.411 7.370 1.00 0.00 C ATOM 814 C VAL A 50 -3.316 1.653 6.610 1.00 0.00 C ATOM 815 O VAL A 50 -3.901 2.736 6.698 1.00 0.00 O ATOM 816 CB VAL A 50 -0.779 1.467 6.438 1.00 0.00 C ATOM 817 CG1 VAL A 50 -0.823 2.648 5.493 1.00 0.00 C ATOM 818 CG2 VAL A 50 0.465 1.547 7.287 1.00 0.00 C ATOM 0 H VAL A 50 -1.470 -0.569 7.644 1.00 0.00 H new ATOM 0 HA VAL A 50 -1.918 2.214 8.100 1.00 0.00 H new ATOM 0 HB VAL A 50 -0.776 0.564 5.827 1.00 0.00 H new ATOM 0 HG11 VAL A 50 0.066 2.643 4.862 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -1.713 2.580 4.867 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -0.854 3.573 6.068 1.00 0.00 H new ATOM 0 HG21 VAL A 50 1.343 1.587 6.643 1.00 0.00 H new ATOM 0 HG22 VAL A 50 0.427 2.444 7.905 1.00 0.00 H new ATOM 0 HG23 VAL A 50 0.525 0.668 7.928 1.00 0.00 H new ATOM 828 N GLU A 51 -3.781 0.626 5.912 1.00 0.00 N ATOM 829 CA GLU A 51 -5.039 0.665 5.178 1.00 0.00 C ATOM 830 C GLU A 51 -6.158 1.014 6.141 1.00 0.00 C ATOM 831 O GLU A 51 -6.957 1.895 5.871 1.00 0.00 O ATOM 832 CB GLU A 51 -5.259 -0.702 4.493 1.00 0.00 C ATOM 833 CG GLU A 51 -6.504 -0.870 3.626 1.00 0.00 C ATOM 834 CD GLU A 51 -7.799 -1.133 4.422 1.00 0.00 C ATOM 835 OE1 GLU A 51 -7.729 -1.673 5.543 1.00 0.00 O ATOM 836 OE2 GLU A 51 -8.891 -0.858 3.928 1.00 0.00 O ATOM 0 H GLU A 51 -3.291 -0.266 5.838 1.00 0.00 H new ATOM 0 HA GLU A 51 -5.020 1.428 4.400 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -4.388 -0.910 3.872 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -5.286 -1.466 5.270 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -6.637 0.029 3.024 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -6.342 -1.696 2.934 1.00 0.00 H new ATOM 843 N GLY A 52 -6.144 0.361 7.295 1.00 0.00 N ATOM 844 CA GLY A 52 -7.120 0.594 8.327 1.00 0.00 C ATOM 845 C GLY A 52 -7.126 2.022 8.793 1.00 0.00 C ATOM 846 O GLY A 52 -8.193 2.595 9.022 1.00 0.00 O ATOM 0 H GLY A 52 -5.449 -0.346 7.533 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -8.110 0.332 7.954 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -6.914 -0.061 9.173 1.00 0.00 H new ATOM 850 N ASP A 53 -5.947 2.593 8.915 1.00 0.00 N ATOM 851 CA ASP A 53 -5.779 3.992 9.324 1.00 0.00 C ATOM 852 C ASP A 53 -6.445 4.939 8.334 1.00 0.00 C ATOM 853 O ASP A 53 -7.257 5.773 8.705 1.00 0.00 O ATOM 854 CB ASP A 53 -4.310 4.319 9.414 1.00 0.00 C ATOM 855 CG ASP A 53 -4.037 5.732 9.868 1.00 0.00 C ATOM 856 OD1 ASP A 53 -4.114 5.995 11.079 1.00 0.00 O ATOM 857 OD2 ASP A 53 -3.692 6.600 9.022 1.00 0.00 O ATOM 0 H ASP A 53 -5.068 2.108 8.735 1.00 0.00 H new ATOM 0 HA ASP A 53 -6.252 4.121 10.297 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -3.833 3.625 10.105 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -3.850 4.164 8.438 1.00 0.00 H new ATOM 862 N MET A 54 -6.110 4.795 7.079 1.00 0.00 N ATOM 863 CA MET A 54 -6.713 5.630 6.031 1.00 0.00 C ATOM 864 C MET A 54 -8.179 5.343 5.840 1.00 0.00 C ATOM 865 O MET A 54 -8.952 6.244 5.508 1.00 0.00 O ATOM 866 CB MET A 54 -5.929 5.594 4.712 1.00 0.00 C ATOM 867 CG MET A 54 -5.356 4.264 4.340 1.00 0.00 C ATOM 868 SD MET A 54 -3.621 4.416 3.800 1.00 0.00 S ATOM 869 CE MET A 54 -2.884 5.373 5.141 1.00 0.00 C ATOM 0 H MET A 54 -5.428 4.116 6.742 1.00 0.00 H new ATOM 0 HA MET A 54 -6.644 6.657 6.389 1.00 0.00 H new ATOM 0 HB2 MET A 54 -6.588 5.924 3.909 1.00 0.00 H new ATOM 0 HB3 MET A 54 -5.115 6.316 4.773 1.00 0.00 H new ATOM 0 HG2 MET A 54 -5.415 3.589 5.194 1.00 0.00 H new ATOM 0 HG3 MET A 54 -5.950 3.821 3.541 1.00 0.00 H new ATOM 0 HE1 MET A 54 -1.798 5.340 5.057 1.00 0.00 H new ATOM 0 HE2 MET A 54 -3.222 6.408 5.078 1.00 0.00 H new ATOM 0 HE3 MET A 54 -3.187 4.950 6.099 1.00 0.00 H new ATOM 879 N TYR A 55 -8.560 4.111 6.093 1.00 0.00 N ATOM 880 CA TYR A 55 -9.925 3.682 6.023 1.00 0.00 C ATOM 881 C TYR A 55 -10.724 4.448 7.070 1.00 0.00 C ATOM 882 O TYR A 55 -11.632 5.156 6.748 1.00 0.00 O ATOM 883 CB TYR A 55 -9.950 2.161 6.272 1.00 0.00 C ATOM 884 CG TYR A 55 -11.271 1.449 6.147 1.00 0.00 C ATOM 885 CD1 TYR A 55 -11.724 0.982 4.920 1.00 0.00 C ATOM 886 CD2 TYR A 55 -12.036 1.203 7.265 1.00 0.00 C ATOM 887 CE1 TYR A 55 -12.914 0.288 4.817 1.00 0.00 C ATOM 888 CE2 TYR A 55 -13.232 0.517 7.176 1.00 0.00 C ATOM 889 CZ TYR A 55 -13.667 0.061 5.950 1.00 0.00 C ATOM 890 OH TYR A 55 -14.857 -0.635 5.862 1.00 0.00 O ATOM 0 H TYR A 55 -7.911 3.370 6.358 1.00 0.00 H new ATOM 0 HA TYR A 55 -10.372 3.882 5.049 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -9.252 1.696 5.575 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -9.566 1.980 7.276 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -11.137 1.164 4.032 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -11.695 1.552 8.228 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -13.252 -0.074 3.857 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -13.823 0.339 8.062 1.00 0.00 H new ATOM 0 HH TYR A 55 -15.260 -0.707 6.752 1.00 0.00 H new ATOM 900 N GLU A 56 -10.281 4.403 8.301 1.00 0.00 N ATOM 901 CA GLU A 56 -11.014 5.062 9.392 1.00 0.00 C ATOM 902 C GLU A 56 -10.871 6.587 9.323 1.00 0.00 C ATOM 903 O GLU A 56 -11.673 7.302 9.888 1.00 0.00 O ATOM 904 CB GLU A 56 -10.522 4.572 10.753 1.00 0.00 C ATOM 905 CG GLU A 56 -9.109 4.996 11.031 1.00 0.00 C ATOM 906 CD GLU A 56 -8.570 4.557 12.370 1.00 0.00 C ATOM 907 OE1 GLU A 56 -8.843 5.230 13.386 1.00 0.00 O ATOM 908 OE2 GLU A 56 -7.837 3.547 12.433 1.00 0.00 O ATOM 0 H GLU A 56 -9.426 3.926 8.588 1.00 0.00 H new ATOM 0 HA GLU A 56 -12.066 4.802 9.273 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -11.176 4.959 11.535 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -10.588 3.485 10.791 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -8.464 4.599 10.247 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -9.052 6.083 10.970 1.00 0.00 H new ATOM 915 N SER A 57 -9.854 7.064 8.651 1.00 0.00 N ATOM 916 CA SER A 57 -9.613 8.483 8.554 1.00 0.00 C ATOM 917 C SER A 57 -10.552 9.150 7.535 1.00 0.00 C ATOM 918 O SER A 57 -11.124 10.208 7.816 1.00 0.00 O ATOM 919 CB SER A 57 -8.147 8.740 8.181 1.00 0.00 C ATOM 920 OG SER A 57 -7.819 10.118 8.254 1.00 0.00 O ATOM 0 H SER A 57 -9.174 6.485 8.159 1.00 0.00 H new ATOM 0 HA SER A 57 -9.819 8.927 9.528 1.00 0.00 H new ATOM 0 HB2 SER A 57 -7.497 8.176 8.850 1.00 0.00 H new ATOM 0 HB3 SER A 57 -7.959 8.375 7.171 1.00 0.00 H new ATOM 0 HG SER A 57 -6.878 10.244 8.011 1.00 0.00 H new ATOM 926 N ALA A 58 -10.749 8.505 6.395 1.00 0.00 N ATOM 927 CA ALA A 58 -11.507 9.087 5.288 1.00 0.00 C ATOM 928 C ALA A 58 -13.008 9.207 5.559 1.00 0.00 C ATOM 929 O ALA A 58 -13.558 8.565 6.469 1.00 0.00 O ATOM 930 CB ALA A 58 -11.283 8.284 4.043 1.00 0.00 C ATOM 0 H ALA A 58 -10.392 7.568 6.208 1.00 0.00 H new ATOM 0 HA ALA A 58 -11.135 10.104 5.165 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -11.850 8.721 3.221 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -10.222 8.287 3.794 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -11.614 7.259 4.207 1.00 0.00 H new ATOM 936 N ASN A 59 -13.665 10.039 4.764 1.00 0.00 N ATOM 937 CA ASN A 59 -15.109 10.251 4.875 1.00 0.00 C ATOM 938 C ASN A 59 -15.837 9.496 3.769 1.00 0.00 C ATOM 939 O ASN A 59 -17.064 9.583 3.643 1.00 0.00 O ATOM 940 CB ASN A 59 -15.462 11.761 4.847 1.00 0.00 C ATOM 941 CG ASN A 59 -15.619 12.374 3.447 1.00 0.00 C ATOM 942 OD1 ASN A 59 -16.727 12.456 2.909 1.00 0.00 O ATOM 943 ND2 ASN A 59 -14.544 12.790 2.857 1.00 0.00 N ATOM 0 H ASN A 59 -13.220 10.585 4.027 1.00 0.00 H new ATOM 0 HA ASN A 59 -15.439 9.860 5.837 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -16.391 11.910 5.397 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -14.685 12.309 5.380 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -14.600 13.198 1.924 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -13.642 12.710 3.325 1.00 0.00 H new ATOM 950 N SER A 60 -15.083 8.741 3.000 1.00 0.00 N ATOM 951 CA SER A 60 -15.611 7.874 1.980 1.00 0.00 C ATOM 952 C SER A 60 -14.589 6.845 1.649 1.00 0.00 C ATOM 953 O SER A 60 -13.400 7.035 1.931 1.00 0.00 O ATOM 954 CB SER A 60 -15.977 8.638 0.724 1.00 0.00 C ATOM 955 OG SER A 60 -14.872 9.344 0.214 1.00 0.00 O ATOM 0 H SER A 60 -14.066 8.715 3.071 1.00 0.00 H new ATOM 0 HA SER A 60 -16.520 7.410 2.363 1.00 0.00 H new ATOM 0 HB2 SER A 60 -16.348 7.945 -0.031 1.00 0.00 H new ATOM 0 HB3 SER A 60 -16.787 9.334 0.942 1.00 0.00 H new ATOM 0 HG SER A 60 -15.138 9.826 -0.597 1.00 0.00 H new ATOM 961 N ARG A 61 -15.017 5.749 1.056 1.00 0.00 N ATOM 962 CA ARG A 61 -14.064 4.754 0.644 1.00 0.00 C ATOM 963 C ARG A 61 -13.293 5.270 -0.553 1.00 0.00 C ATOM 964 O ARG A 61 -12.182 4.872 -0.801 1.00 0.00 O ATOM 965 CB ARG A 61 -14.680 3.378 0.338 1.00 0.00 C ATOM 966 CG ARG A 61 -15.465 3.231 -0.956 1.00 0.00 C ATOM 967 CD ARG A 61 -16.673 4.080 -1.020 1.00 0.00 C ATOM 968 NE ARG A 61 -17.541 3.606 -2.109 1.00 0.00 N ATOM 969 CZ ARG A 61 -18.308 4.359 -2.918 1.00 0.00 C ATOM 970 NH1 ARG A 61 -18.429 5.662 -2.716 1.00 0.00 N ATOM 971 NH2 ARG A 61 -18.987 3.777 -3.905 1.00 0.00 N ATOM 0 H ARG A 61 -15.993 5.533 0.855 1.00 0.00 H new ATOM 0 HA ARG A 61 -13.397 4.588 1.490 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -13.874 2.644 0.328 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -15.341 3.114 1.164 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -14.814 3.477 -1.795 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -15.758 2.188 -1.076 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -17.208 4.044 -0.071 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -16.393 5.120 -1.189 1.00 0.00 H new ATOM 0 HE ARG A 61 -17.564 2.599 -2.268 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -17.938 6.106 -1.940 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -19.014 6.222 -3.336 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -18.923 2.768 -4.043 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -19.571 4.340 -4.523 1.00 0.00 H new ATOM 985 N ASP A 62 -13.910 6.192 -1.269 1.00 0.00 N ATOM 986 CA ASP A 62 -13.299 6.798 -2.429 1.00 0.00 C ATOM 987 C ASP A 62 -12.140 7.644 -1.964 1.00 0.00 C ATOM 988 O ASP A 62 -11.038 7.508 -2.461 1.00 0.00 O ATOM 989 CB ASP A 62 -14.318 7.659 -3.158 1.00 0.00 C ATOM 990 CG ASP A 62 -13.782 8.262 -4.446 1.00 0.00 C ATOM 991 OD1 ASP A 62 -13.062 9.265 -4.403 1.00 0.00 O ATOM 992 OD2 ASP A 62 -14.093 7.736 -5.527 1.00 0.00 O ATOM 0 H ASP A 62 -14.846 6.539 -1.060 1.00 0.00 H new ATOM 0 HA ASP A 62 -12.946 6.029 -3.116 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -15.197 7.056 -3.385 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -14.645 8.462 -2.497 1.00 0.00 H new ATOM 997 N GLU A 63 -12.393 8.460 -0.944 1.00 0.00 N ATOM 998 CA GLU A 63 -11.369 9.281 -0.338 1.00 0.00 C ATOM 999 C GLU A 63 -10.261 8.436 0.257 1.00 0.00 C ATOM 1000 O GLU A 63 -9.087 8.727 0.042 1.00 0.00 O ATOM 1001 CB GLU A 63 -11.968 10.231 0.710 1.00 0.00 C ATOM 1002 CG GLU A 63 -10.946 10.907 1.607 1.00 0.00 C ATOM 1003 CD GLU A 63 -11.510 12.036 2.391 1.00 0.00 C ATOM 1004 OE1 GLU A 63 -12.069 11.804 3.478 1.00 0.00 O ATOM 1005 OE2 GLU A 63 -11.413 13.182 1.931 1.00 0.00 O ATOM 0 H GLU A 63 -13.315 8.565 -0.521 1.00 0.00 H new ATOM 0 HA GLU A 63 -10.928 9.891 -1.126 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -12.546 10.999 0.197 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -12.665 9.671 1.333 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -10.530 10.169 2.293 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -10.122 11.274 0.995 1.00 0.00 H new ATOM 1012 N TYR A 64 -10.634 7.366 0.957 1.00 0.00 N ATOM 1013 CA TYR A 64 -9.663 6.509 1.610 1.00 0.00 C ATOM 1014 C TYR A 64 -8.769 5.845 0.582 1.00 0.00 C ATOM 1015 O TYR A 64 -7.547 5.902 0.691 1.00 0.00 O ATOM 1016 CB TYR A 64 -10.373 5.502 2.569 1.00 0.00 C ATOM 1017 CG TYR A 64 -10.134 4.045 2.314 1.00 0.00 C ATOM 1018 CD1 TYR A 64 -9.063 3.393 2.871 1.00 0.00 C ATOM 1019 CD2 TYR A 64 -10.989 3.330 1.514 1.00 0.00 C ATOM 1020 CE1 TYR A 64 -8.850 2.071 2.627 1.00 0.00 C ATOM 1021 CE2 TYR A 64 -10.785 2.016 1.257 1.00 0.00 C ATOM 1022 CZ TYR A 64 -9.713 1.387 1.819 1.00 0.00 C ATOM 1023 OH TYR A 64 -9.492 0.086 1.567 1.00 0.00 O ATOM 0 H TYR A 64 -11.604 7.077 1.083 1.00 0.00 H new ATOM 0 HA TYR A 64 -9.009 7.112 2.240 1.00 0.00 H new ATOM 0 HB2 TYR A 64 -10.059 5.725 3.589 1.00 0.00 H new ATOM 0 HB3 TYR A 64 -11.446 5.684 2.519 1.00 0.00 H new ATOM 0 HD1 TYR A 64 -8.381 3.935 3.510 1.00 0.00 H new ATOM 0 HD2 TYR A 64 -11.844 3.826 1.079 1.00 0.00 H new ATOM 0 HE1 TYR A 64 -8.004 1.566 3.069 1.00 0.00 H new ATOM 0 HE2 TYR A 64 -11.463 1.473 0.615 1.00 0.00 H new ATOM 0 HH TYR A 64 -8.940 -0.296 2.281 1.00 0.00 H new ATOM 1033 N TYR A 65 -9.393 5.280 -0.439 1.00 0.00 N ATOM 1034 CA TYR A 65 -8.702 4.649 -1.524 1.00 0.00 C ATOM 1035 C TYR A 65 -7.813 5.649 -2.234 1.00 0.00 C ATOM 1036 O TYR A 65 -6.645 5.381 -2.457 1.00 0.00 O ATOM 1037 CB TYR A 65 -9.731 3.941 -2.460 1.00 0.00 C ATOM 1038 CG TYR A 65 -9.347 3.744 -3.916 1.00 0.00 C ATOM 1039 CD1 TYR A 65 -8.060 3.390 -4.325 1.00 0.00 C ATOM 1040 CD2 TYR A 65 -10.298 3.943 -4.886 1.00 0.00 C ATOM 1041 CE1 TYR A 65 -7.758 3.252 -5.657 1.00 0.00 C ATOM 1042 CE2 TYR A 65 -10.000 3.810 -6.206 1.00 0.00 C ATOM 1043 CZ TYR A 65 -8.741 3.470 -6.592 1.00 0.00 C ATOM 1044 OH TYR A 65 -8.458 3.370 -7.926 1.00 0.00 O ATOM 0 H TYR A 65 -10.409 5.253 -0.528 1.00 0.00 H new ATOM 0 HA TYR A 65 -8.036 3.872 -1.150 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -9.950 2.961 -2.036 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -10.658 4.514 -2.433 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -7.292 3.223 -3.584 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -11.303 4.211 -4.595 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -6.761 2.976 -5.966 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -10.765 3.975 -6.950 1.00 0.00 H new ATOM 0 HH TYR A 65 -9.267 3.554 -8.447 1.00 0.00 H new ATOM 1054 N HIS A 66 -8.335 6.810 -2.512 1.00 0.00 N ATOM 1055 CA HIS A 66 -7.585 7.808 -3.220 1.00 0.00 C ATOM 1056 C HIS A 66 -6.421 8.360 -2.439 1.00 0.00 C ATOM 1057 O HIS A 66 -5.344 8.469 -2.976 1.00 0.00 O ATOM 1058 CB HIS A 66 -8.468 8.898 -3.802 1.00 0.00 C ATOM 1059 CG HIS A 66 -9.150 8.450 -5.068 1.00 0.00 C ATOM 1060 ND1 HIS A 66 -10.508 8.428 -5.262 1.00 0.00 N ATOM 1061 CD2 HIS A 66 -8.606 7.999 -6.227 1.00 0.00 C ATOM 1062 CE1 HIS A 66 -10.745 7.975 -6.490 1.00 0.00 C ATOM 1063 NE2 HIS A 66 -9.623 7.700 -7.125 1.00 0.00 N ATOM 0 H HIS A 66 -9.282 7.090 -2.257 1.00 0.00 H new ATOM 0 HA HIS A 66 -7.139 7.285 -4.066 1.00 0.00 H new ATOM 0 HB2 HIS A 66 -9.219 9.188 -3.067 1.00 0.00 H new ATOM 0 HB3 HIS A 66 -7.865 9.783 -4.007 1.00 0.00 H new ATOM 0 HD1 HIS A 66 -11.214 8.710 -4.582 1.00 0.00 H new ATOM 0 HD2 HIS A 66 -7.549 7.890 -6.421 1.00 0.00 H new ATOM 0 HE1 HIS A 66 -11.731 7.849 -6.913 1.00 0.00 H new ATOM 1071 N LEU A 67 -6.606 8.639 -1.161 1.00 0.00 N ATOM 1072 CA LEU A 67 -5.515 9.200 -0.371 1.00 0.00 C ATOM 1073 C LEU A 67 -4.435 8.143 -0.118 1.00 0.00 C ATOM 1074 O LEU A 67 -3.237 8.458 -0.057 1.00 0.00 O ATOM 1075 CB LEU A 67 -6.027 9.883 0.939 1.00 0.00 C ATOM 1076 CG LEU A 67 -6.611 8.995 2.055 1.00 0.00 C ATOM 1077 CD1 LEU A 67 -5.527 8.420 2.927 1.00 0.00 C ATOM 1078 CD2 LEU A 67 -7.612 9.753 2.896 1.00 0.00 C ATOM 0 H LEU A 67 -7.479 8.492 -0.654 1.00 0.00 H new ATOM 0 HA LEU A 67 -5.051 9.999 -0.949 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -5.197 10.446 1.365 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -6.792 10.607 0.658 1.00 0.00 H new ATOM 0 HG LEU A 67 -7.129 8.170 1.567 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -5.975 7.799 3.703 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -4.855 7.813 2.320 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -4.965 9.231 3.390 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -8.004 9.098 3.673 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -7.124 10.611 3.357 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -8.431 10.098 2.265 1.00 0.00 H new ATOM 1090 N LEU A 68 -4.848 6.878 -0.018 1.00 0.00 N ATOM 1091 CA LEU A 68 -3.892 5.817 0.181 1.00 0.00 C ATOM 1092 C LEU A 68 -3.154 5.583 -1.124 1.00 0.00 C ATOM 1093 O LEU A 68 -1.958 5.270 -1.132 1.00 0.00 O ATOM 1094 CB LEU A 68 -4.572 4.535 0.750 1.00 0.00 C ATOM 1095 CG LEU A 68 -5.323 3.570 -0.167 1.00 0.00 C ATOM 1096 CD1 LEU A 68 -4.362 2.604 -0.830 1.00 0.00 C ATOM 1097 CD2 LEU A 68 -6.351 2.808 0.634 1.00 0.00 C ATOM 0 H LEU A 68 -5.822 6.579 -0.072 1.00 0.00 H new ATOM 0 HA LEU A 68 -3.161 6.104 0.936 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -3.796 3.958 1.253 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -5.276 4.860 1.517 1.00 0.00 H new ATOM 0 HG LEU A 68 -5.823 4.145 -0.947 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -4.917 1.926 -1.478 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -3.637 3.161 -1.423 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -3.839 2.029 -0.066 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -6.886 2.120 -0.021 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -5.853 2.244 1.423 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -7.058 3.508 1.079 1.00 0.00 H new ATOM 1109 N ALA A 69 -3.874 5.790 -2.227 1.00 0.00 N ATOM 1110 CA ALA A 69 -3.316 5.707 -3.551 1.00 0.00 C ATOM 1111 C ALA A 69 -2.277 6.812 -3.729 1.00 0.00 C ATOM 1112 O ALA A 69 -1.246 6.594 -4.296 1.00 0.00 O ATOM 1113 CB ALA A 69 -4.417 5.798 -4.616 1.00 0.00 C ATOM 0 H ALA A 69 -4.867 6.021 -2.212 1.00 0.00 H new ATOM 0 HA ALA A 69 -2.828 4.741 -3.677 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -3.970 5.733 -5.608 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -5.122 4.978 -4.481 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -4.942 6.748 -4.516 1.00 0.00 H new ATOM 1119 N GLU A 70 -2.545 7.976 -3.164 1.00 0.00 N ATOM 1120 CA GLU A 70 -1.610 9.113 -3.218 1.00 0.00 C ATOM 1121 C GLU A 70 -0.323 8.773 -2.477 1.00 0.00 C ATOM 1122 O GLU A 70 0.803 9.055 -2.946 1.00 0.00 O ATOM 1123 CB GLU A 70 -2.219 10.336 -2.544 1.00 0.00 C ATOM 1124 CG GLU A 70 -3.502 10.822 -3.161 1.00 0.00 C ATOM 1125 CD GLU A 70 -3.333 11.332 -4.555 1.00 0.00 C ATOM 1126 OE1 GLU A 70 -2.466 12.192 -4.775 1.00 0.00 O ATOM 1127 OE2 GLU A 70 -4.063 10.888 -5.454 1.00 0.00 O ATOM 0 H GLU A 70 -3.408 8.171 -2.656 1.00 0.00 H new ATOM 0 HA GLU A 70 -1.404 9.322 -4.268 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -2.402 10.102 -1.495 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -1.491 11.147 -2.567 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -4.226 10.007 -3.165 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -3.918 11.615 -2.540 1.00 0.00 H new ATOM 1134 N LYS A 71 -0.488 8.172 -1.322 1.00 0.00 N ATOM 1135 CA LYS A 71 0.626 7.836 -0.482 1.00 0.00 C ATOM 1136 C LYS A 71 1.450 6.704 -1.113 1.00 0.00 C ATOM 1137 O LYS A 71 2.678 6.757 -1.139 1.00 0.00 O ATOM 1138 CB LYS A 71 0.124 7.535 0.971 1.00 0.00 C ATOM 1139 CG LYS A 71 0.073 6.071 1.447 1.00 0.00 C ATOM 1140 CD LYS A 71 1.440 5.605 1.946 1.00 0.00 C ATOM 1141 CE LYS A 71 1.363 4.293 2.698 1.00 0.00 C ATOM 1142 NZ LYS A 71 2.617 4.037 3.442 1.00 0.00 N ATOM 0 H LYS A 71 -1.397 7.905 -0.944 1.00 0.00 H new ATOM 0 HA LYS A 71 1.308 8.682 -0.398 1.00 0.00 H new ATOM 0 HB2 LYS A 71 0.763 8.085 1.662 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -0.880 7.949 1.066 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -0.662 5.971 2.245 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -0.256 5.431 0.628 1.00 0.00 H new ATOM 0 HD2 LYS A 71 2.115 5.495 1.098 1.00 0.00 H new ATOM 0 HD3 LYS A 71 1.866 6.369 2.596 1.00 0.00 H new ATOM 0 HE2 LYS A 71 0.522 4.315 3.391 1.00 0.00 H new ATOM 0 HE3 LYS A 71 1.178 3.478 1.998 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 2.554 3.117 3.922 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 3.418 4.028 2.779 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 2.761 4.787 4.148 1.00 0.00 H new ATOM 1156 N ILE A 72 0.780 5.722 -1.679 1.00 0.00 N ATOM 1157 CA ILE A 72 1.476 4.602 -2.277 1.00 0.00 C ATOM 1158 C ILE A 72 2.226 5.076 -3.532 1.00 0.00 C ATOM 1159 O ILE A 72 3.328 4.635 -3.820 1.00 0.00 O ATOM 1160 CB ILE A 72 0.504 3.437 -2.622 1.00 0.00 C ATOM 1161 CG1 ILE A 72 1.268 2.190 -2.889 1.00 0.00 C ATOM 1162 CG2 ILE A 72 -0.388 3.746 -3.780 1.00 0.00 C ATOM 1163 CD1 ILE A 72 0.428 1.040 -3.381 1.00 0.00 C ATOM 0 H ILE A 72 -0.237 5.676 -1.738 1.00 0.00 H new ATOM 0 HA ILE A 72 2.192 4.216 -1.552 1.00 0.00 H new ATOM 0 HB ILE A 72 -0.138 3.299 -1.752 1.00 0.00 H new ATOM 0 HG12 ILE A 72 2.040 2.403 -3.628 1.00 0.00 H new ATOM 0 HG13 ILE A 72 1.777 1.887 -1.974 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -1.042 2.896 -3.972 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -0.992 4.624 -3.550 1.00 0.00 H new ATOM 0 HG23 ILE A 72 0.219 3.944 -4.664 1.00 0.00 H new ATOM 0 HD11 ILE A 72 1.064 0.171 -3.551 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -0.328 0.796 -2.635 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -0.061 1.320 -4.314 1.00 0.00 H new ATOM 1175 N TYR A 73 1.614 6.017 -4.206 1.00 0.00 N ATOM 1176 CA TYR A 73 2.103 6.649 -5.405 1.00 0.00 C ATOM 1177 C TYR A 73 3.473 7.276 -5.125 1.00 0.00 C ATOM 1178 O TYR A 73 4.488 6.945 -5.796 1.00 0.00 O ATOM 1179 CB TYR A 73 1.041 7.713 -5.770 1.00 0.00 C ATOM 1180 CG TYR A 73 1.235 8.623 -6.948 1.00 0.00 C ATOM 1181 CD1 TYR A 73 1.988 9.763 -6.825 1.00 0.00 C ATOM 1182 CD2 TYR A 73 0.587 8.389 -8.149 1.00 0.00 C ATOM 1183 CE1 TYR A 73 2.113 10.659 -7.869 1.00 0.00 C ATOM 1184 CE2 TYR A 73 0.708 9.264 -9.205 1.00 0.00 C ATOM 1185 CZ TYR A 73 1.474 10.404 -9.060 1.00 0.00 C ATOM 1186 OH TYR A 73 1.593 11.297 -10.110 1.00 0.00 O ATOM 0 H TYR A 73 0.708 6.384 -3.915 1.00 0.00 H new ATOM 0 HA TYR A 73 2.243 5.951 -6.231 1.00 0.00 H new ATOM 0 HB2 TYR A 73 0.100 7.185 -5.925 1.00 0.00 H new ATOM 0 HB3 TYR A 73 0.910 8.348 -4.894 1.00 0.00 H new ATOM 0 HD1 TYR A 73 2.494 9.964 -5.892 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -0.024 7.505 -8.259 1.00 0.00 H new ATOM 0 HE1 TYR A 73 2.708 11.553 -7.751 1.00 0.00 H new ATOM 0 HE2 TYR A 73 0.207 9.060 -10.140 1.00 0.00 H new ATOM 0 HH TYR A 73 1.082 10.968 -10.879 1.00 0.00 H new ATOM 1196 N LYS A 74 3.520 8.122 -4.095 1.00 0.00 N ATOM 1197 CA LYS A 74 4.750 8.805 -3.747 1.00 0.00 C ATOM 1198 C LYS A 74 5.803 7.803 -3.295 1.00 0.00 C ATOM 1199 O LYS A 74 6.961 7.973 -3.590 1.00 0.00 O ATOM 1200 CB LYS A 74 4.540 9.901 -2.686 1.00 0.00 C ATOM 1201 CG LYS A 74 4.271 9.393 -1.280 1.00 0.00 C ATOM 1202 CD LYS A 74 3.999 10.525 -0.293 1.00 0.00 C ATOM 1203 CE LYS A 74 2.750 11.324 -0.645 1.00 0.00 C ATOM 1204 NZ LYS A 74 2.523 12.437 0.299 1.00 0.00 N ATOM 0 H LYS A 74 2.724 8.344 -3.497 1.00 0.00 H new ATOM 0 HA LYS A 74 5.104 9.309 -4.647 1.00 0.00 H new ATOM 0 HB2 LYS A 74 5.425 10.537 -2.663 1.00 0.00 H new ATOM 0 HB3 LYS A 74 3.704 10.529 -2.995 1.00 0.00 H new ATOM 0 HG2 LYS A 74 3.416 8.718 -1.298 1.00 0.00 H new ATOM 0 HG3 LYS A 74 5.128 8.813 -0.936 1.00 0.00 H new ATOM 0 HD2 LYS A 74 3.889 10.110 0.709 1.00 0.00 H new ATOM 0 HD3 LYS A 74 4.859 11.195 -0.268 1.00 0.00 H new ATOM 0 HE2 LYS A 74 2.845 11.720 -1.656 1.00 0.00 H new ATOM 0 HE3 LYS A 74 1.883 10.663 -0.642 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 1.664 12.955 0.025 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 2.406 12.058 1.261 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 3.338 13.082 0.278 1.00 0.00 H new ATOM 1218 N ILE A 75 5.370 6.725 -2.633 1.00 0.00 N ATOM 1219 CA ILE A 75 6.277 5.689 -2.182 1.00 0.00 C ATOM 1220 C ILE A 75 6.952 5.001 -3.370 1.00 0.00 C ATOM 1221 O ILE A 75 8.149 4.716 -3.333 1.00 0.00 O ATOM 1222 CB ILE A 75 5.549 4.643 -1.247 1.00 0.00 C ATOM 1223 CG1 ILE A 75 5.696 4.998 0.246 1.00 0.00 C ATOM 1224 CG2 ILE A 75 6.014 3.224 -1.490 1.00 0.00 C ATOM 1225 CD1 ILE A 75 5.125 6.328 0.653 1.00 0.00 C ATOM 0 H ILE A 75 4.391 6.556 -2.402 1.00 0.00 H new ATOM 0 HA ILE A 75 7.054 6.166 -1.585 1.00 0.00 H new ATOM 0 HB ILE A 75 4.493 4.699 -1.512 1.00 0.00 H new ATOM 0 HG12 ILE A 75 5.214 4.219 0.836 1.00 0.00 H new ATOM 0 HG13 ILE A 75 6.755 4.983 0.503 1.00 0.00 H new ATOM 0 HG21 ILE A 75 5.482 2.547 -0.821 1.00 0.00 H new ATOM 0 HG22 ILE A 75 5.811 2.947 -2.524 1.00 0.00 H new ATOM 0 HG23 ILE A 75 7.085 3.154 -1.300 1.00 0.00 H new ATOM 0 HD11 ILE A 75 5.281 6.479 1.721 1.00 0.00 H new ATOM 0 HD12 ILE A 75 5.622 7.123 0.097 1.00 0.00 H new ATOM 0 HD13 ILE A 75 4.057 6.347 0.436 1.00 0.00 H new ATOM 1237 N GLN A 76 6.201 4.789 -4.432 1.00 0.00 N ATOM 1238 CA GLN A 76 6.733 4.095 -5.579 1.00 0.00 C ATOM 1239 C GLN A 76 7.767 4.922 -6.285 1.00 0.00 C ATOM 1240 O GLN A 76 8.855 4.434 -6.620 1.00 0.00 O ATOM 1241 CB GLN A 76 5.638 3.625 -6.513 1.00 0.00 C ATOM 1242 CG GLN A 76 4.685 2.695 -5.812 1.00 0.00 C ATOM 1243 CD GLN A 76 3.940 1.766 -6.725 1.00 0.00 C ATOM 1244 OE1 GLN A 76 2.791 1.320 -6.284 1.00 0.00 O flip ATOM 1245 NE2 GLN A 76 4.416 1.411 -7.803 1.00 0.00 N flip ATOM 0 H GLN A 76 5.229 5.086 -4.521 1.00 0.00 H new ATOM 0 HA GLN A 76 7.234 3.198 -5.216 1.00 0.00 H new ATOM 0 HB2 GLN A 76 5.092 4.486 -6.899 1.00 0.00 H new ATOM 0 HB3 GLN A 76 6.081 3.118 -7.370 1.00 0.00 H new ATOM 0 HG2 GLN A 76 5.243 2.102 -5.087 1.00 0.00 H new ATOM 0 HG3 GLN A 76 3.964 3.289 -5.251 1.00 0.00 H new ATOM 0 HE21 GLN A 76 5.315 1.782 -8.111 1.00 0.00 H new ATOM 0 HE22 GLN A 76 3.912 0.745 -8.389 1.00 0.00 H new ATOM 1254 N LYS A 77 7.479 6.178 -6.467 1.00 0.00 N ATOM 1255 CA LYS A 77 8.462 7.022 -7.089 1.00 0.00 C ATOM 1256 C LYS A 77 9.633 7.312 -6.162 1.00 0.00 C ATOM 1257 O LYS A 77 10.765 7.502 -6.627 1.00 0.00 O ATOM 1258 CB LYS A 77 7.829 8.253 -7.665 1.00 0.00 C ATOM 1259 CG LYS A 77 6.940 8.991 -6.717 1.00 0.00 C ATOM 1260 CD LYS A 77 5.857 9.743 -7.451 1.00 0.00 C ATOM 1261 CE LYS A 77 4.905 8.797 -8.221 1.00 0.00 C ATOM 1262 NZ LYS A 77 5.399 8.341 -9.532 1.00 0.00 N ATOM 0 H LYS A 77 6.603 6.631 -6.205 1.00 0.00 H new ATOM 0 HA LYS A 77 8.892 6.479 -7.931 1.00 0.00 H new ATOM 0 HB2 LYS A 77 8.616 8.926 -8.005 1.00 0.00 H new ATOM 0 HB3 LYS A 77 7.249 7.971 -8.544 1.00 0.00 H new ATOM 0 HG2 LYS A 77 6.487 8.288 -6.018 1.00 0.00 H new ATOM 0 HG3 LYS A 77 7.534 9.689 -6.127 1.00 0.00 H new ATOM 0 HD2 LYS A 77 5.281 10.334 -6.739 1.00 0.00 H new ATOM 0 HD3 LYS A 77 6.314 10.443 -8.150 1.00 0.00 H new ATOM 0 HE2 LYS A 77 4.708 7.923 -7.601 1.00 0.00 H new ATOM 0 HE3 LYS A 77 3.952 9.306 -8.367 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 4.618 8.349 -10.219 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 6.154 8.977 -9.859 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 5.773 7.375 -9.445 1.00 0.00 H new ATOM 1276 N GLU A 78 9.361 7.293 -4.856 1.00 0.00 N ATOM 1277 CA GLU A 78 10.372 7.466 -3.824 1.00 0.00 C ATOM 1278 C GLU A 78 11.381 6.330 -3.938 1.00 0.00 C ATOM 1279 O GLU A 78 12.594 6.558 -3.972 1.00 0.00 O ATOM 1280 CB GLU A 78 9.728 7.383 -2.435 1.00 0.00 C ATOM 1281 CG GLU A 78 10.612 7.850 -1.294 1.00 0.00 C ATOM 1282 CD GLU A 78 10.704 9.354 -1.201 1.00 0.00 C ATOM 1283 OE1 GLU A 78 11.254 9.985 -2.115 1.00 0.00 O ATOM 1284 OE2 GLU A 78 10.249 9.929 -0.187 1.00 0.00 O ATOM 0 H GLU A 78 8.420 7.155 -4.486 1.00 0.00 H new ATOM 0 HA GLU A 78 10.850 8.437 -3.953 1.00 0.00 H new ATOM 0 HB2 GLU A 78 8.816 7.980 -2.437 1.00 0.00 H new ATOM 0 HB3 GLU A 78 9.433 6.350 -2.248 1.00 0.00 H new ATOM 0 HG2 GLU A 78 10.223 7.456 -0.355 1.00 0.00 H new ATOM 0 HG3 GLU A 78 11.612 7.437 -1.423 1.00 0.00 H new ATOM 1291 N LEU A 79 10.867 5.094 -4.020 1.00 0.00 N ATOM 1292 CA LEU A 79 11.711 3.919 -4.095 1.00 0.00 C ATOM 1293 C LEU A 79 12.538 3.900 -5.358 1.00 0.00 C ATOM 1294 O LEU A 79 13.741 3.619 -5.308 1.00 0.00 O ATOM 1295 CB LEU A 79 10.922 2.594 -3.855 1.00 0.00 C ATOM 1296 CG LEU A 79 9.806 2.197 -4.834 1.00 0.00 C ATOM 1297 CD1 LEU A 79 10.344 1.464 -6.053 1.00 0.00 C ATOM 1298 CD2 LEU A 79 8.757 1.368 -4.139 1.00 0.00 C ATOM 0 H LEU A 79 9.867 4.894 -4.035 1.00 0.00 H new ATOM 0 HA LEU A 79 12.419 3.985 -3.269 1.00 0.00 H new ATOM 0 HB2 LEU A 79 11.646 1.780 -3.836 1.00 0.00 H new ATOM 0 HB3 LEU A 79 10.480 2.651 -2.860 1.00 0.00 H new ATOM 0 HG LEU A 79 9.348 3.120 -5.188 1.00 0.00 H new ATOM 0 HD11 LEU A 79 9.518 1.204 -6.715 1.00 0.00 H new ATOM 0 HD12 LEU A 79 11.046 2.107 -6.584 1.00 0.00 H new ATOM 0 HD13 LEU A 79 10.854 0.555 -5.735 1.00 0.00 H new ATOM 0 HD21 LEU A 79 7.977 1.098 -4.850 1.00 0.00 H new ATOM 0 HD22 LEU A 79 9.214 0.462 -3.741 1.00 0.00 H new ATOM 0 HD23 LEU A 79 8.321 1.943 -3.323 1.00 0.00 H new ATOM 1310 N GLU A 80 11.925 4.257 -6.463 1.00 0.00 N ATOM 1311 CA GLU A 80 12.617 4.299 -7.720 1.00 0.00 C ATOM 1312 C GLU A 80 13.768 5.290 -7.723 1.00 0.00 C ATOM 1313 O GLU A 80 14.881 4.941 -8.133 1.00 0.00 O ATOM 1314 CB GLU A 80 11.656 4.511 -8.884 1.00 0.00 C ATOM 1315 CG GLU A 80 10.904 3.246 -9.271 1.00 0.00 C ATOM 1316 CD GLU A 80 11.835 2.165 -9.802 1.00 0.00 C ATOM 1317 OE1 GLU A 80 12.582 1.533 -9.018 1.00 0.00 O ATOM 1318 OE2 GLU A 80 11.876 1.963 -11.033 1.00 0.00 O ATOM 0 H GLU A 80 10.942 4.523 -6.511 1.00 0.00 H new ATOM 0 HA GLU A 80 13.073 3.319 -7.861 1.00 0.00 H new ATOM 0 HB2 GLU A 80 10.938 5.287 -8.619 1.00 0.00 H new ATOM 0 HB3 GLU A 80 12.214 4.874 -9.747 1.00 0.00 H new ATOM 0 HG2 GLU A 80 10.365 2.865 -8.403 1.00 0.00 H new ATOM 0 HG3 GLU A 80 10.158 3.486 -10.029 1.00 0.00 H new ATOM 1325 N GLU A 81 13.550 6.483 -7.205 1.00 0.00 N ATOM 1326 CA GLU A 81 14.614 7.470 -7.192 1.00 0.00 C ATOM 1327 C GLU A 81 15.661 7.167 -6.120 1.00 0.00 C ATOM 1328 O GLU A 81 16.841 7.435 -6.325 1.00 0.00 O ATOM 1329 CB GLU A 81 14.091 8.904 -7.065 1.00 0.00 C ATOM 1330 CG GLU A 81 13.323 9.195 -5.797 1.00 0.00 C ATOM 1331 CD GLU A 81 12.849 10.610 -5.750 1.00 0.00 C ATOM 1332 OE1 GLU A 81 13.635 11.494 -5.393 1.00 0.00 O ATOM 1333 OE2 GLU A 81 11.683 10.874 -6.084 1.00 0.00 O ATOM 0 H GLU A 81 12.667 6.789 -6.796 1.00 0.00 H new ATOM 0 HA GLU A 81 15.103 7.397 -8.164 1.00 0.00 H new ATOM 0 HB2 GLU A 81 14.936 9.589 -7.125 1.00 0.00 H new ATOM 0 HB3 GLU A 81 13.447 9.117 -7.918 1.00 0.00 H new ATOM 0 HG2 GLU A 81 12.468 8.522 -5.727 1.00 0.00 H new ATOM 0 HG3 GLU A 81 13.957 8.995 -4.933 1.00 0.00 H new ATOM 1340 N LYS A 82 15.233 6.580 -4.985 1.00 0.00 N ATOM 1341 CA LYS A 82 16.166 6.278 -3.897 1.00 0.00 C ATOM 1342 C LYS A 82 17.162 5.226 -4.341 1.00 0.00 C ATOM 1343 O LYS A 82 18.345 5.297 -4.016 1.00 0.00 O ATOM 1344 CB LYS A 82 15.426 5.889 -2.562 1.00 0.00 C ATOM 1345 CG LYS A 82 14.786 4.496 -2.521 1.00 0.00 C ATOM 1346 CD LYS A 82 15.686 3.480 -1.818 1.00 0.00 C ATOM 1347 CE LYS A 82 15.387 2.036 -2.226 1.00 0.00 C ATOM 1348 NZ LYS A 82 13.966 1.628 -2.091 1.00 0.00 N ATOM 0 H LYS A 82 14.265 6.312 -4.805 1.00 0.00 H new ATOM 0 HA LYS A 82 16.721 7.187 -3.664 1.00 0.00 H new ATOM 0 HB2 LYS A 82 16.140 5.962 -1.741 1.00 0.00 H new ATOM 0 HB3 LYS A 82 14.648 6.629 -2.374 1.00 0.00 H new ATOM 0 HG2 LYS A 82 13.827 4.551 -2.005 1.00 0.00 H new ATOM 0 HG3 LYS A 82 14.582 4.159 -3.537 1.00 0.00 H new ATOM 0 HD2 LYS A 82 16.728 3.708 -2.044 1.00 0.00 H new ATOM 0 HD3 LYS A 82 15.565 3.580 -0.739 1.00 0.00 H new ATOM 0 HE2 LYS A 82 15.693 1.896 -3.263 1.00 0.00 H new ATOM 0 HE3 LYS A 82 16.000 1.369 -1.620 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 13.847 0.660 -2.453 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 13.689 1.660 -1.089 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 13.365 2.278 -2.637 1.00 0.00 H new ATOM 1362 N ARG A 83 16.676 4.272 -5.104 1.00 0.00 N ATOM 1363 CA ARG A 83 17.502 3.229 -5.619 1.00 0.00 C ATOM 1364 C ARG A 83 18.328 3.703 -6.809 1.00 0.00 C ATOM 1365 O ARG A 83 19.497 3.329 -6.947 1.00 0.00 O ATOM 1366 CB ARG A 83 16.658 2.010 -5.965 1.00 0.00 C ATOM 1367 CG ARG A 83 17.432 0.853 -6.558 1.00 0.00 C ATOM 1368 CD ARG A 83 16.578 -0.389 -6.606 1.00 0.00 C ATOM 1369 NE ARG A 83 15.336 -0.198 -7.362 1.00 0.00 N ATOM 1370 CZ ARG A 83 14.445 -1.161 -7.584 1.00 0.00 C ATOM 1371 NH1 ARG A 83 14.599 -2.348 -7.015 1.00 0.00 N ATOM 1372 NH2 ARG A 83 13.362 -0.923 -8.312 1.00 0.00 N ATOM 0 H ARG A 83 15.696 4.207 -5.379 1.00 0.00 H new ATOM 0 HA ARG A 83 18.211 2.940 -4.843 1.00 0.00 H new ATOM 0 HB2 ARG A 83 16.153 1.667 -5.062 1.00 0.00 H new ATOM 0 HB3 ARG A 83 15.883 2.310 -6.670 1.00 0.00 H new ATOM 0 HG2 ARG A 83 17.767 1.110 -7.563 1.00 0.00 H new ATOM 0 HG3 ARG A 83 18.326 0.664 -5.963 1.00 0.00 H new ATOM 0 HD2 ARG A 83 17.150 -1.200 -7.056 1.00 0.00 H new ATOM 0 HD3 ARG A 83 16.335 -0.696 -5.589 1.00 0.00 H new ATOM 0 HE ARG A 83 15.143 0.729 -7.741 1.00 0.00 H new ATOM 0 HH11 ARG A 83 15.400 -2.522 -6.408 1.00 0.00 H new ATOM 0 HH12 ARG A 83 13.917 -3.087 -7.184 1.00 0.00 H new ATOM 0 HH21 ARG A 83 13.207 0.004 -8.707 1.00 0.00 H new ATOM 0 HH22 ARG A 83 12.685 -1.668 -8.477 1.00 0.00 H new ATOM 1386 N ARG A 84 17.746 4.540 -7.656 1.00 0.00 N ATOM 1387 CA ARG A 84 18.454 4.966 -8.836 1.00 0.00 C ATOM 1388 C ARG A 84 19.511 6.026 -8.549 1.00 0.00 C ATOM 1389 O ARG A 84 20.696 5.763 -8.762 1.00 0.00 O ATOM 1390 CB ARG A 84 17.496 5.432 -9.958 1.00 0.00 C ATOM 1391 CG ARG A 84 18.217 6.019 -11.175 1.00 0.00 C ATOM 1392 CD ARG A 84 19.155 5.010 -11.819 1.00 0.00 C ATOM 1393 NE ARG A 84 20.134 5.661 -12.679 1.00 0.00 N ATOM 1394 CZ ARG A 84 21.399 5.252 -12.832 1.00 0.00 C ATOM 1395 NH1 ARG A 84 21.801 4.101 -12.293 1.00 0.00 N ATOM 1396 NH2 ARG A 84 22.251 5.979 -13.540 1.00 0.00 N ATOM 0 H ARG A 84 16.808 4.925 -7.546 1.00 0.00 H new ATOM 0 HA ARG A 84 18.981 4.081 -9.192 1.00 0.00 H new ATOM 0 HB2 ARG A 84 16.888 4.587 -10.279 1.00 0.00 H new ATOM 0 HB3 ARG A 84 16.814 6.180 -9.554 1.00 0.00 H new ATOM 0 HG2 ARG A 84 17.481 6.350 -11.908 1.00 0.00 H new ATOM 0 HG3 ARG A 84 18.784 6.899 -10.872 1.00 0.00 H new ATOM 0 HD2 ARG A 84 19.671 4.445 -11.043 1.00 0.00 H new ATOM 0 HD3 ARG A 84 18.576 4.295 -12.403 1.00 0.00 H new ATOM 0 HE ARG A 84 19.835 6.485 -13.200 1.00 0.00 H new ATOM 0 HH11 ARG A 84 21.144 3.529 -11.762 1.00 0.00 H new ATOM 0 HH12 ARG A 84 22.766 3.792 -12.411 1.00 0.00 H new ATOM 0 HH21 ARG A 84 21.943 6.852 -13.969 1.00 0.00 H new ATOM 0 HH22 ARG A 84 23.215 5.666 -13.656 1.00 0.00 H new ATOM 1410 N SER A 85 19.123 7.169 -8.011 1.00 0.00 N ATOM 1411 CA SER A 85 20.056 8.283 -7.824 1.00 0.00 C ATOM 1412 C SER A 85 19.468 9.401 -6.954 1.00 0.00 C ATOM 1413 O SER A 85 18.524 10.086 -7.365 1.00 0.00 O ATOM 1414 CB SER A 85 20.484 8.894 -9.190 1.00 0.00 C ATOM 1415 OG SER A 85 21.276 8.002 -9.977 1.00 0.00 O ATOM 0 H SER A 85 18.172 7.357 -7.694 1.00 0.00 H new ATOM 0 HA SER A 85 20.923 7.863 -7.314 1.00 0.00 H new ATOM 0 HB2 SER A 85 19.593 9.172 -9.752 1.00 0.00 H new ATOM 0 HB3 SER A 85 21.047 9.810 -9.012 1.00 0.00 H new ATOM 0 HG SER A 85 21.458 7.187 -9.464 1.00 0.00 H new ATOM 1421 N ARG A 86 20.009 9.546 -5.754 1.00 0.00 N ATOM 1422 CA ARG A 86 19.698 10.651 -4.859 1.00 0.00 C ATOM 1423 C ARG A 86 20.668 10.662 -3.669 1.00 0.00 C ATOM 1424 O ARG A 86 21.058 11.716 -3.172 1.00 0.00 O ATOM 1425 CB ARG A 86 18.247 10.606 -4.375 1.00 0.00 C ATOM 1426 CG ARG A 86 17.918 9.468 -3.449 1.00 0.00 C ATOM 1427 CD ARG A 86 16.458 9.484 -3.055 1.00 0.00 C ATOM 1428 NE ARG A 86 16.068 10.665 -2.287 1.00 0.00 N ATOM 1429 CZ ARG A 86 14.804 10.935 -1.937 1.00 0.00 C ATOM 1430 NH1 ARG A 86 13.823 10.164 -2.394 1.00 0.00 N ATOM 1431 NH2 ARG A 86 14.524 11.974 -1.162 1.00 0.00 N ATOM 0 H ARG A 86 20.687 8.889 -5.368 1.00 0.00 H new ATOM 0 HA ARG A 86 19.820 11.576 -5.423 1.00 0.00 H new ATOM 0 HB2 ARG A 86 18.020 11.544 -3.868 1.00 0.00 H new ATOM 0 HB3 ARG A 86 17.592 10.547 -5.244 1.00 0.00 H new ATOM 0 HG2 ARG A 86 18.155 8.521 -3.934 1.00 0.00 H new ATOM 0 HG3 ARG A 86 18.539 9.533 -2.555 1.00 0.00 H new ATOM 0 HD2 ARG A 86 15.847 9.430 -3.956 1.00 0.00 H new ATOM 0 HD3 ARG A 86 16.240 8.592 -2.468 1.00 0.00 H new ATOM 0 HE ARG A 86 16.798 11.318 -2.002 1.00 0.00 H new ATOM 0 HH11 ARG A 86 14.036 9.376 -3.005 1.00 0.00 H new ATOM 0 HH12 ARG A 86 12.857 10.360 -2.134 1.00 0.00 H new ATOM 0 HH21 ARG A 86 15.275 12.577 -0.826 1.00 0.00 H new ATOM 0 HH22 ARG A 86 13.558 12.170 -0.902 1.00 0.00 H new ATOM 1445 N LEU A 87 21.070 9.480 -3.234 1.00 0.00 N ATOM 1446 CA LEU A 87 21.962 9.336 -2.093 1.00 0.00 C ATOM 1447 C LEU A 87 23.416 9.321 -2.544 1.00 0.00 C ATOM 1448 O LEU A 87 23.702 9.113 -3.740 1.00 0.00 O ATOM 1449 CB LEU A 87 21.634 8.047 -1.325 1.00 0.00 C ATOM 1450 CG LEU A 87 20.208 7.928 -0.775 1.00 0.00 C ATOM 1451 CD1 LEU A 87 20.025 6.606 -0.047 1.00 0.00 C ATOM 1452 CD2 LEU A 87 19.878 9.098 0.145 1.00 0.00 C ATOM 0 H LEU A 87 20.790 8.596 -3.659 1.00 0.00 H new ATOM 0 HA LEU A 87 21.815 10.190 -1.432 1.00 0.00 H new ATOM 0 HB2 LEU A 87 21.818 7.199 -1.985 1.00 0.00 H new ATOM 0 HB3 LEU A 87 22.331 7.959 -0.491 1.00 0.00 H new ATOM 0 HG LEU A 87 19.517 7.957 -1.618 1.00 0.00 H new ATOM 0 HD11 LEU A 87 19.007 6.540 0.336 1.00 0.00 H new ATOM 0 HD12 LEU A 87 20.207 5.782 -0.737 1.00 0.00 H new ATOM 0 HD13 LEU A 87 20.730 6.547 0.783 1.00 0.00 H new ATOM 0 HD21 LEU A 87 18.861 8.989 0.521 1.00 0.00 H new ATOM 0 HD22 LEU A 87 20.576 9.110 0.983 1.00 0.00 H new ATOM 0 HD23 LEU A 87 19.961 10.032 -0.410 1.00 0.00 H new TER 1464 LEU A 87 ATOM 1465 N GLY B 101 21.026 15.872 2.510 1.00 0.00 N ATOM 1466 CA GLY B 101 19.975 16.093 3.478 1.00 0.00 C ATOM 1467 C GLY B 101 19.685 14.826 4.246 1.00 0.00 C ATOM 1468 O GLY B 101 20.513 13.905 4.240 1.00 0.00 O ATOM 0 HA2 GLY B 101 20.269 16.884 4.168 1.00 0.00 H new ATOM 0 HA3 GLY B 101 19.072 16.432 2.971 1.00 0.00 H new ATOM 1472 N SER B 102 18.532 14.777 4.900 1.00 0.00 N ATOM 1473 CA SER B 102 18.092 13.616 5.669 1.00 0.00 C ATOM 1474 C SER B 102 18.995 13.352 6.875 1.00 0.00 C ATOM 1475 O SER B 102 19.187 12.221 7.309 1.00 0.00 O ATOM 1476 CB SER B 102 17.915 12.395 4.763 1.00 0.00 C ATOM 1477 OG SER B 102 16.886 12.659 3.799 1.00 0.00 O ATOM 0 H SER B 102 17.867 15.550 4.913 1.00 0.00 H new ATOM 0 HA SER B 102 17.110 13.838 6.087 1.00 0.00 H new ATOM 0 HB2 SER B 102 18.853 12.166 4.256 1.00 0.00 H new ATOM 0 HB3 SER B 102 17.653 11.521 5.360 1.00 0.00 H new ATOM 0 HG SER B 102 16.008 12.506 4.207 1.00 0.00 H new ATOM 1483 N MET B 103 19.500 14.439 7.439 1.00 0.00 N ATOM 1484 CA MET B 103 20.266 14.403 8.676 1.00 0.00 C ATOM 1485 C MET B 103 19.280 14.433 9.840 1.00 0.00 C ATOM 1486 O MET B 103 19.636 14.271 11.002 1.00 0.00 O ATOM 1487 CB MET B 103 21.268 15.583 8.766 1.00 0.00 C ATOM 1488 CG MET B 103 20.653 16.991 8.732 1.00 0.00 C ATOM 1489 SD MET B 103 19.884 17.406 7.144 1.00 0.00 S ATOM 1490 CE MET B 103 19.303 19.073 7.468 1.00 0.00 C ATOM 0 H MET B 103 19.389 15.375 7.050 1.00 0.00 H new ATOM 0 HA MET B 103 20.862 13.491 8.709 1.00 0.00 H new ATOM 0 HB2 MET B 103 21.839 15.479 9.689 1.00 0.00 H new ATOM 0 HB3 MET B 103 21.976 15.497 7.941 1.00 0.00 H new ATOM 0 HG2 MET B 103 19.905 17.071 9.521 1.00 0.00 H new ATOM 0 HG3 MET B 103 21.429 17.723 8.953 1.00 0.00 H new ATOM 0 HE1 MET B 103 18.806 19.464 6.580 1.00 0.00 H new ATOM 0 HE2 MET B 103 18.600 19.058 8.301 1.00 0.00 H new ATOM 0 HE3 MET B 103 20.150 19.711 7.720 1.00 0.00 H new ATOM 1500 N SER B 104 18.047 14.690 9.490 1.00 0.00 N ATOM 1501 CA SER B 104 16.930 14.632 10.371 1.00 0.00 C ATOM 1502 C SER B 104 15.776 14.097 9.546 1.00 0.00 C ATOM 1503 O SER B 104 15.254 14.796 8.654 1.00 0.00 O ATOM 1504 CB SER B 104 16.593 16.022 10.935 1.00 0.00 C ATOM 1505 OG SER B 104 15.537 15.948 11.886 1.00 0.00 O ATOM 0 H SER B 104 17.792 14.956 8.539 1.00 0.00 H new ATOM 0 HA SER B 104 17.141 13.994 11.229 1.00 0.00 H new ATOM 0 HB2 SER B 104 17.478 16.452 11.403 1.00 0.00 H new ATOM 0 HB3 SER B 104 16.307 16.688 10.121 1.00 0.00 H new ATOM 0 HG SER B 104 15.344 16.845 12.230 1.00 0.00 H new ATOM 1511 N HIS B 105 15.431 12.860 9.761 1.00 0.00 N ATOM 1512 CA HIS B 105 14.377 12.248 9.005 1.00 0.00 C ATOM 1513 C HIS B 105 13.020 12.706 9.460 1.00 0.00 C ATOM 1514 O HIS B 105 12.450 12.178 10.407 1.00 0.00 O ATOM 1515 CB HIS B 105 14.464 10.719 8.989 1.00 0.00 C ATOM 1516 CG HIS B 105 15.583 10.176 8.154 1.00 0.00 C ATOM 1517 ND1 HIS B 105 16.744 9.638 8.662 1.00 0.00 N ATOM 1518 CD2 HIS B 105 15.678 10.062 6.807 1.00 0.00 C ATOM 1519 CE1 HIS B 105 17.487 9.226 7.633 1.00 0.00 C ATOM 1520 NE2 HIS B 105 16.886 9.460 6.484 1.00 0.00 N ATOM 0 H HIS B 105 15.866 12.254 10.456 1.00 0.00 H new ATOM 0 HA HIS B 105 14.517 12.583 7.977 1.00 0.00 H new ATOM 0 HB2 HIS B 105 14.583 10.362 10.012 1.00 0.00 H new ATOM 0 HB3 HIS B 105 13.521 10.317 8.619 1.00 0.00 H new ATOM 0 HD1 HIS B 105 16.992 9.567 9.649 1.00 0.00 H new ATOM 0 HD2 HIS B 105 14.932 10.388 6.097 1.00 0.00 H new ATOM 0 HE1 HIS B 105 18.457 8.760 7.730 1.00 0.00 H new ATOM 1528 N TYR B 106 12.543 13.726 8.823 1.00 0.00 N ATOM 1529 CA TYR B 106 11.223 14.222 9.018 1.00 0.00 C ATOM 1530 C TYR B 106 10.755 14.716 7.685 1.00 0.00 C ATOM 1531 O TYR B 106 11.508 15.388 6.976 1.00 0.00 O ATOM 1532 CB TYR B 106 11.153 15.320 10.082 1.00 0.00 C ATOM 1533 CG TYR B 106 9.724 15.683 10.404 1.00 0.00 C ATOM 1534 CD1 TYR B 106 8.851 14.714 10.883 1.00 0.00 C ATOM 1535 CD2 TYR B 106 9.237 16.964 10.209 1.00 0.00 C ATOM 1536 CE1 TYR B 106 7.537 15.005 11.144 1.00 0.00 C ATOM 1537 CE2 TYR B 106 7.918 17.266 10.483 1.00 0.00 C ATOM 1538 CZ TYR B 106 7.073 16.278 10.946 1.00 0.00 C ATOM 1539 OH TYR B 106 5.750 16.564 11.190 1.00 0.00 O ATOM 0 H TYR B 106 13.079 14.251 8.132 1.00 0.00 H new ATOM 0 HA TYR B 106 10.578 13.429 9.395 1.00 0.00 H new ATOM 0 HB2 TYR B 106 11.658 14.984 10.988 1.00 0.00 H new ATOM 0 HB3 TYR B 106 11.684 16.204 9.730 1.00 0.00 H new ATOM 0 HD1 TYR B 106 9.215 13.711 11.053 1.00 0.00 H new ATOM 0 HD2 TYR B 106 9.896 17.735 9.839 1.00 0.00 H new ATOM 0 HE1 TYR B 106 6.871 14.234 11.504 1.00 0.00 H new ATOM 0 HE2 TYR B 106 7.549 18.270 10.336 1.00 0.00 H new ATOM 0 HH TYR B 106 5.580 17.511 11.002 1.00 0.00 H new ATOM 1549 N GLY B 107 9.580 14.295 7.292 1.00 0.00 N ATOM 1550 CA GLY B 107 9.070 14.621 5.986 1.00 0.00 C ATOM 1551 C GLY B 107 9.369 13.482 5.051 1.00 0.00 C ATOM 1552 O GLY B 107 8.534 13.073 4.244 1.00 0.00 O ATOM 0 H GLY B 107 8.956 13.723 7.861 1.00 0.00 H new ATOM 0 HA2 GLY B 107 7.996 14.798 6.034 1.00 0.00 H new ATOM 0 HA3 GLY B 107 9.528 15.540 5.620 1.00 0.00 H new ATOM 1556 N ASN B 108 10.560 12.944 5.198 1.00 0.00 N ATOM 1557 CA ASN B 108 10.991 11.800 4.449 1.00 0.00 C ATOM 1558 C ASN B 108 11.273 10.616 5.341 1.00 0.00 C ATOM 1559 O ASN B 108 12.410 10.248 5.600 1.00 0.00 O ATOM 1560 CB ASN B 108 12.136 12.085 3.442 1.00 0.00 C ATOM 1561 CG ASN B 108 13.305 12.863 4.024 1.00 0.00 C ATOM 1562 OD1 ASN B 108 14.268 12.305 4.555 1.00 0.00 O ATOM 1563 ND2 ASN B 108 13.241 14.159 3.897 1.00 0.00 N ATOM 0 H ASN B 108 11.259 13.298 5.851 1.00 0.00 H new ATOM 0 HA ASN B 108 10.143 11.532 3.818 1.00 0.00 H new ATOM 0 HB2 ASN B 108 12.505 11.136 3.052 1.00 0.00 H new ATOM 0 HB3 ASN B 108 11.730 12.641 2.597 1.00 0.00 H new ATOM 0 HD21 ASN B 108 14.002 14.743 4.242 1.00 0.00 H new ATOM 0 HD22 ASN B 108 12.430 14.588 3.453 1.00 0.00 H new ATOM 1570 N GLN B 109 10.202 10.076 5.878 1.00 0.00 N ATOM 1571 CA GLN B 109 10.240 8.844 6.665 1.00 0.00 C ATOM 1572 C GLN B 109 10.498 7.726 5.703 1.00 0.00 C ATOM 1573 O GLN B 109 11.270 6.799 5.960 1.00 0.00 O ATOM 1574 CB GLN B 109 8.869 8.610 7.348 1.00 0.00 C ATOM 1575 CG GLN B 109 8.600 9.399 8.636 1.00 0.00 C ATOM 1576 CD GLN B 109 9.168 10.793 8.646 1.00 0.00 C ATOM 1577 OE1 GLN B 109 8.538 11.764 8.232 1.00 0.00 O ATOM 1578 NE2 GLN B 109 10.365 10.890 9.110 1.00 0.00 N ATOM 0 H GLN B 109 9.268 10.476 5.785 1.00 0.00 H new ATOM 0 HA GLN B 109 11.009 8.902 7.435 1.00 0.00 H new ATOM 0 HB2 GLN B 109 8.085 8.852 6.630 1.00 0.00 H new ATOM 0 HB3 GLN B 109 8.778 7.548 7.574 1.00 0.00 H new ATOM 0 HG2 GLN B 109 7.523 9.458 8.792 1.00 0.00 H new ATOM 0 HG3 GLN B 109 9.014 8.846 9.479 1.00 0.00 H new ATOM 0 HE21 GLN B 109 10.852 10.058 9.443 1.00 0.00 H new ATOM 0 HE22 GLN B 109 10.827 11.799 9.144 1.00 0.00 H new ATOM 1587 N THR B 110 9.910 7.917 4.550 1.00 0.00 N ATOM 1588 CA THR B 110 9.904 7.028 3.446 1.00 0.00 C ATOM 1589 C THR B 110 11.303 6.639 2.986 1.00 0.00 C ATOM 1590 O THR B 110 11.524 5.505 2.616 1.00 0.00 O ATOM 1591 CB THR B 110 9.156 7.727 2.320 1.00 0.00 C ATOM 1592 OG1 THR B 110 9.627 9.092 2.257 1.00 0.00 O ATOM 1593 CG2 THR B 110 7.669 7.734 2.602 1.00 0.00 C ATOM 0 H THR B 110 9.385 8.770 4.357 1.00 0.00 H new ATOM 0 HA THR B 110 9.421 6.097 3.741 1.00 0.00 H new ATOM 0 HB THR B 110 9.332 7.205 1.379 1.00 0.00 H new ATOM 0 HG1 THR B 110 9.563 9.418 1.335 1.00 0.00 H new ATOM 0 HG21 THR B 110 7.147 8.237 1.788 1.00 0.00 H new ATOM 0 HG22 THR B 110 7.309 6.708 2.685 1.00 0.00 H new ATOM 0 HG23 THR B 110 7.478 8.262 3.537 1.00 0.00 H new ATOM 1601 N LEU B 111 12.242 7.568 3.054 1.00 0.00 N ATOM 1602 CA LEU B 111 13.594 7.313 2.595 1.00 0.00 C ATOM 1603 C LEU B 111 14.227 6.136 3.338 1.00 0.00 C ATOM 1604 O LEU B 111 14.478 5.085 2.739 1.00 0.00 O ATOM 1605 CB LEU B 111 14.475 8.557 2.722 1.00 0.00 C ATOM 1606 CG LEU B 111 15.915 8.397 2.213 1.00 0.00 C ATOM 1607 CD1 LEU B 111 15.941 8.122 0.715 1.00 0.00 C ATOM 1608 CD2 LEU B 111 16.737 9.621 2.545 1.00 0.00 C ATOM 0 H LEU B 111 12.091 8.507 3.424 1.00 0.00 H new ATOM 0 HA LEU B 111 13.525 7.051 1.539 1.00 0.00 H new ATOM 0 HB2 LEU B 111 14.003 9.374 2.176 1.00 0.00 H new ATOM 0 HB3 LEU B 111 14.509 8.853 3.771 1.00 0.00 H new ATOM 0 HG LEU B 111 16.356 7.538 2.719 1.00 0.00 H new ATOM 0 HD11 LEU B 111 16.973 8.013 0.383 1.00 0.00 H new ATOM 0 HD12 LEU B 111 15.393 7.203 0.504 1.00 0.00 H new ATOM 0 HD13 LEU B 111 15.475 8.952 0.185 1.00 0.00 H new ATOM 0 HD21 LEU B 111 17.754 9.487 2.176 1.00 0.00 H new ATOM 0 HD22 LEU B 111 16.292 10.497 2.073 1.00 0.00 H new ATOM 0 HD23 LEU B 111 16.759 9.762 3.626 1.00 0.00 H new ATOM 1620 N GLN B 112 14.423 6.283 4.641 1.00 0.00 N ATOM 1621 CA GLN B 112 15.077 5.242 5.417 1.00 0.00 C ATOM 1622 C GLN B 112 14.176 4.025 5.576 1.00 0.00 C ATOM 1623 O GLN B 112 14.649 2.886 5.557 1.00 0.00 O ATOM 1624 CB GLN B 112 15.538 5.745 6.790 1.00 0.00 C ATOM 1625 CG GLN B 112 14.419 6.203 7.713 1.00 0.00 C ATOM 1626 CD GLN B 112 14.912 6.504 9.103 1.00 0.00 C ATOM 1627 OE1 GLN B 112 15.888 5.908 9.576 1.00 0.00 O ATOM 1628 NE2 GLN B 112 14.245 7.374 9.778 1.00 0.00 N ATOM 0 H GLN B 112 14.142 7.104 5.177 1.00 0.00 H new ATOM 0 HA GLN B 112 15.965 4.948 4.858 1.00 0.00 H new ATOM 0 HB2 GLN B 112 16.094 4.949 7.285 1.00 0.00 H new ATOM 0 HB3 GLN B 112 16.231 6.574 6.643 1.00 0.00 H new ATOM 0 HG2 GLN B 112 13.949 7.093 7.296 1.00 0.00 H new ATOM 0 HG3 GLN B 112 13.652 5.430 7.761 1.00 0.00 H new ATOM 0 HE21 GLN B 112 13.446 7.845 9.354 1.00 0.00 H new ATOM 0 HE22 GLN B 112 14.516 7.592 10.737 1.00 0.00 H new ATOM 1637 N ASP B 113 12.882 4.270 5.699 1.00 0.00 N ATOM 1638 CA ASP B 113 11.895 3.210 5.881 1.00 0.00 C ATOM 1639 C ASP B 113 11.894 2.288 4.686 1.00 0.00 C ATOM 1640 O ASP B 113 12.211 1.106 4.789 1.00 0.00 O ATOM 1641 CB ASP B 113 10.501 3.822 6.061 1.00 0.00 C ATOM 1642 CG ASP B 113 9.396 2.802 6.204 1.00 0.00 C ATOM 1643 OD1 ASP B 113 8.823 2.377 5.178 1.00 0.00 O ATOM 1644 OD2 ASP B 113 9.044 2.451 7.358 1.00 0.00 O ATOM 0 H ASP B 113 12.483 5.208 5.676 1.00 0.00 H new ATOM 0 HA ASP B 113 12.155 2.637 6.771 1.00 0.00 H new ATOM 0 HB2 ASP B 113 10.507 4.462 6.944 1.00 0.00 H new ATOM 0 HB3 ASP B 113 10.283 4.461 5.206 1.00 0.00 H new ATOM 1649 N LEU B 114 11.642 2.861 3.540 1.00 0.00 N ATOM 1650 CA LEU B 114 11.506 2.121 2.319 1.00 0.00 C ATOM 1651 C LEU B 114 12.860 1.622 1.816 1.00 0.00 C ATOM 1652 O LEU B 114 12.923 0.720 1.006 1.00 0.00 O ATOM 1653 CB LEU B 114 10.789 2.986 1.301 1.00 0.00 C ATOM 1654 CG LEU B 114 10.386 2.380 -0.029 1.00 0.00 C ATOM 1655 CD1 LEU B 114 9.565 1.111 0.164 1.00 0.00 C ATOM 1656 CD2 LEU B 114 9.576 3.407 -0.775 1.00 0.00 C ATOM 0 H LEU B 114 11.524 3.868 3.429 1.00 0.00 H new ATOM 0 HA LEU B 114 10.908 1.227 2.495 1.00 0.00 H new ATOM 0 HB2 LEU B 114 9.885 3.370 1.774 1.00 0.00 H new ATOM 0 HB3 LEU B 114 11.428 3.844 1.091 1.00 0.00 H new ATOM 0 HG LEU B 114 11.280 2.106 -0.589 1.00 0.00 H new ATOM 0 HD11 LEU B 114 9.293 0.702 -0.809 1.00 0.00 H new ATOM 0 HD12 LEU B 114 10.154 0.377 0.714 1.00 0.00 H new ATOM 0 HD13 LEU B 114 8.660 1.345 0.725 1.00 0.00 H new ATOM 0 HD21 LEU B 114 9.271 3.000 -1.739 1.00 0.00 H new ATOM 0 HD22 LEU B 114 8.691 3.665 -0.193 1.00 0.00 H new ATOM 0 HD23 LEU B 114 10.179 4.301 -0.934 1.00 0.00 H new ATOM 1668 N LEU B 115 13.942 2.231 2.278 1.00 0.00 N ATOM 1669 CA LEU B 115 15.283 1.717 1.985 1.00 0.00 C ATOM 1670 C LEU B 115 15.501 0.412 2.753 1.00 0.00 C ATOM 1671 O LEU B 115 16.016 -0.576 2.211 1.00 0.00 O ATOM 1672 CB LEU B 115 16.369 2.741 2.366 1.00 0.00 C ATOM 1673 CG LEU B 115 17.831 2.328 2.127 1.00 0.00 C ATOM 1674 CD1 LEU B 115 18.093 2.059 0.654 1.00 0.00 C ATOM 1675 CD2 LEU B 115 18.777 3.399 2.649 1.00 0.00 C ATOM 0 H LEU B 115 13.925 3.074 2.852 1.00 0.00 H new ATOM 0 HA LEU B 115 15.359 1.534 0.913 1.00 0.00 H new ATOM 0 HB2 LEU B 115 16.180 3.658 1.808 1.00 0.00 H new ATOM 0 HB3 LEU B 115 16.253 2.981 3.423 1.00 0.00 H new ATOM 0 HG LEU B 115 18.013 1.403 2.674 1.00 0.00 H new ATOM 0 HD11 LEU B 115 19.135 1.769 0.517 1.00 0.00 H new ATOM 0 HD12 LEU B 115 17.444 1.254 0.310 1.00 0.00 H new ATOM 0 HD13 LEU B 115 17.888 2.961 0.077 1.00 0.00 H new ATOM 0 HD21 LEU B 115 19.808 3.092 2.472 1.00 0.00 H new ATOM 0 HD22 LEU B 115 18.585 4.338 2.131 1.00 0.00 H new ATOM 0 HD23 LEU B 115 18.617 3.535 3.719 1.00 0.00 H new ATOM 1687 N THR B 116 15.059 0.396 3.990 1.00 0.00 N ATOM 1688 CA THR B 116 15.196 -0.767 4.831 1.00 0.00 C ATOM 1689 C THR B 116 14.220 -1.876 4.363 1.00 0.00 C ATOM 1690 O THR B 116 14.602 -3.046 4.250 1.00 0.00 O ATOM 1691 CB THR B 116 14.960 -0.388 6.310 1.00 0.00 C ATOM 1692 OG1 THR B 116 15.803 0.748 6.638 1.00 0.00 O ATOM 1693 CG2 THR B 116 15.328 -1.541 7.224 1.00 0.00 C ATOM 0 H THR B 116 14.596 1.187 4.438 1.00 0.00 H new ATOM 0 HA THR B 116 16.211 -1.156 4.748 1.00 0.00 H new ATOM 0 HB THR B 116 13.906 -0.147 6.449 1.00 0.00 H new ATOM 0 HG1 THR B 116 15.479 1.543 6.165 1.00 0.00 H new ATOM 0 HG21 THR B 116 15.154 -1.253 8.261 1.00 0.00 H new ATOM 0 HG22 THR B 116 14.714 -2.408 6.981 1.00 0.00 H new ATOM 0 HG23 THR B 116 16.380 -1.791 7.088 1.00 0.00 H new ATOM 1701 N SER B 117 12.990 -1.486 4.037 1.00 0.00 N ATOM 1702 CA SER B 117 11.993 -2.406 3.502 1.00 0.00 C ATOM 1703 C SER B 117 12.466 -2.991 2.152 1.00 0.00 C ATOM 1704 O SER B 117 12.225 -4.159 1.842 1.00 0.00 O ATOM 1705 CB SER B 117 10.675 -1.660 3.333 1.00 0.00 C ATOM 1706 OG SER B 117 10.295 -1.039 4.555 1.00 0.00 O ATOM 0 H SER B 117 12.658 -0.527 4.136 1.00 0.00 H new ATOM 0 HA SER B 117 11.853 -3.237 4.194 1.00 0.00 H new ATOM 0 HB2 SER B 117 10.774 -0.907 2.551 1.00 0.00 H new ATOM 0 HB3 SER B 117 9.897 -2.352 3.012 1.00 0.00 H new ATOM 0 HG SER B 117 10.828 -0.228 4.689 1.00 0.00 H new ATOM 1712 N ASP B 118 13.176 -2.166 1.386 1.00 0.00 N ATOM 1713 CA ASP B 118 13.753 -2.563 0.093 1.00 0.00 C ATOM 1714 C ASP B 118 14.790 -3.641 0.327 1.00 0.00 C ATOM 1715 O ASP B 118 14.819 -4.659 -0.356 1.00 0.00 O ATOM 1716 CB ASP B 118 14.437 -1.358 -0.531 1.00 0.00 C ATOM 1717 CG ASP B 118 14.820 -1.528 -1.970 1.00 0.00 C ATOM 1718 OD1 ASP B 118 15.891 -2.067 -2.263 1.00 0.00 O ATOM 1719 OD2 ASP B 118 14.079 -1.017 -2.822 1.00 0.00 O ATOM 0 H ASP B 118 13.371 -1.198 1.641 1.00 0.00 H new ATOM 0 HA ASP B 118 12.968 -2.934 -0.566 1.00 0.00 H new ATOM 0 HB2 ASP B 118 13.774 -0.497 -0.445 1.00 0.00 H new ATOM 0 HB3 ASP B 118 15.334 -1.129 0.044 1.00 0.00 H new ATOM 1724 N SER B 119 15.605 -3.418 1.349 1.00 0.00 N ATOM 1725 CA SER B 119 16.653 -4.342 1.740 1.00 0.00 C ATOM 1726 C SER B 119 16.057 -5.676 2.214 1.00 0.00 C ATOM 1727 O SER B 119 16.647 -6.738 2.016 1.00 0.00 O ATOM 1728 CB SER B 119 17.492 -3.718 2.850 1.00 0.00 C ATOM 1729 OG SER B 119 18.040 -2.459 2.449 1.00 0.00 O ATOM 0 H SER B 119 15.554 -2.583 1.933 1.00 0.00 H new ATOM 0 HA SER B 119 17.285 -4.542 0.875 1.00 0.00 H new ATOM 0 HB2 SER B 119 16.877 -3.581 3.739 1.00 0.00 H new ATOM 0 HB3 SER B 119 18.300 -4.397 3.122 1.00 0.00 H new ATOM 0 HG SER B 119 17.321 -1.796 2.381 1.00 0.00 H new ATOM 1735 N LEU B 120 14.885 -5.600 2.838 1.00 0.00 N ATOM 1736 CA LEU B 120 14.163 -6.754 3.305 1.00 0.00 C ATOM 1737 C LEU B 120 13.772 -7.649 2.127 1.00 0.00 C ATOM 1738 O LEU B 120 13.856 -8.872 2.213 1.00 0.00 O ATOM 1739 CB LEU B 120 12.945 -6.281 4.156 1.00 0.00 C ATOM 1740 CG LEU B 120 11.988 -7.347 4.713 1.00 0.00 C ATOM 1741 CD1 LEU B 120 11.278 -6.820 5.952 1.00 0.00 C ATOM 1742 CD2 LEU B 120 10.936 -7.741 3.680 1.00 0.00 C ATOM 0 H LEU B 120 14.413 -4.717 3.031 1.00 0.00 H new ATOM 0 HA LEU B 120 14.793 -7.366 3.951 1.00 0.00 H new ATOM 0 HB2 LEU B 120 13.331 -5.708 4.999 1.00 0.00 H new ATOM 0 HB3 LEU B 120 12.359 -5.595 3.545 1.00 0.00 H new ATOM 0 HG LEU B 120 12.586 -8.223 4.965 1.00 0.00 H new ATOM 0 HD11 LEU B 120 10.603 -7.584 6.337 1.00 0.00 H new ATOM 0 HD12 LEU B 120 12.015 -6.569 6.715 1.00 0.00 H new ATOM 0 HD13 LEU B 120 10.707 -5.929 5.693 1.00 0.00 H new ATOM 0 HD21 LEU B 120 10.275 -8.496 4.104 1.00 0.00 H new ATOM 0 HD22 LEU B 120 10.353 -6.863 3.401 1.00 0.00 H new ATOM 0 HD23 LEU B 120 11.428 -8.145 2.795 1.00 0.00 H new ATOM 1754 N SER B 121 13.374 -7.036 1.035 1.00 0.00 N ATOM 1755 CA SER B 121 13.022 -7.770 -0.152 1.00 0.00 C ATOM 1756 C SER B 121 14.306 -8.262 -0.837 1.00 0.00 C ATOM 1757 O SER B 121 14.396 -9.436 -1.273 1.00 0.00 O ATOM 1758 CB SER B 121 12.197 -6.892 -1.083 1.00 0.00 C ATOM 1759 OG SER B 121 11.777 -7.616 -2.204 1.00 0.00 O ATOM 0 H SER B 121 13.287 -6.023 0.948 1.00 0.00 H new ATOM 0 HA SER B 121 12.414 -8.636 0.111 1.00 0.00 H new ATOM 0 HB2 SER B 121 11.330 -6.503 -0.550 1.00 0.00 H new ATOM 0 HB3 SER B 121 12.789 -6.033 -1.400 1.00 0.00 H new ATOM 0 HG SER B 121 11.484 -6.995 -2.904 1.00 0.00 H new ATOM 1765 N HIS B 122 15.286 -7.352 -0.935 1.00 0.00 N ATOM 1766 CA HIS B 122 16.646 -7.619 -1.415 1.00 0.00 C ATOM 1767 C HIS B 122 16.761 -7.711 -2.958 1.00 0.00 C ATOM 1768 O HIS B 122 17.741 -7.218 -3.544 1.00 0.00 O ATOM 1769 CB HIS B 122 17.261 -8.848 -0.679 1.00 0.00 C ATOM 1770 CG HIS B 122 18.687 -9.151 -1.009 1.00 0.00 C ATOM 1771 ND1 HIS B 122 19.761 -8.518 -0.427 1.00 0.00 N ATOM 1772 CD2 HIS B 122 19.206 -10.051 -1.873 1.00 0.00 C ATOM 1773 CE1 HIS B 122 20.870 -9.033 -0.941 1.00 0.00 C ATOM 1774 NE2 HIS B 122 20.591 -9.977 -1.830 1.00 0.00 N ATOM 0 H HIS B 122 15.147 -6.376 -0.673 1.00 0.00 H new ATOM 0 HA HIS B 122 17.247 -6.747 -1.158 1.00 0.00 H new ATOM 0 HB2 HIS B 122 17.183 -8.682 0.395 1.00 0.00 H new ATOM 0 HB3 HIS B 122 16.659 -9.726 -0.911 1.00 0.00 H new ATOM 0 HD2 HIS B 122 18.634 -10.721 -2.498 1.00 0.00 H new ATOM 0 HE1 HIS B 122 21.869 -8.724 -0.671 1.00 0.00 H new ATOM 0 HE2 HIS B 122 21.255 -10.532 -2.369 1.00 0.00 H new ATOM 1782 N SER B 123 15.786 -8.297 -3.609 1.00 0.00 N ATOM 1783 CA SER B 123 15.831 -8.451 -5.050 1.00 0.00 C ATOM 1784 C SER B 123 14.716 -7.648 -5.722 1.00 0.00 C ATOM 1785 O SER B 123 13.691 -7.363 -5.104 1.00 0.00 O ATOM 1786 CB SER B 123 15.744 -9.928 -5.415 1.00 0.00 C ATOM 1787 OG SER B 123 16.763 -10.665 -4.754 1.00 0.00 O ATOM 0 H SER B 123 14.949 -8.677 -3.167 1.00 0.00 H new ATOM 0 HA SER B 123 16.780 -8.058 -5.416 1.00 0.00 H new ATOM 0 HB2 SER B 123 14.765 -10.320 -5.138 1.00 0.00 H new ATOM 0 HB3 SER B 123 15.842 -10.048 -6.494 1.00 0.00 H new ATOM 0 HG SER B 123 16.692 -11.612 -4.997 1.00 0.00 H new ATOM 1793 N ASP B 124 14.926 -7.291 -6.974 1.00 0.00 N ATOM 1794 CA ASP B 124 13.977 -6.479 -7.738 1.00 0.00 C ATOM 1795 C ASP B 124 13.263 -7.306 -8.802 1.00 0.00 C ATOM 1796 O ASP B 124 13.887 -8.142 -9.473 1.00 0.00 O ATOM 1797 CB ASP B 124 14.720 -5.323 -8.403 1.00 0.00 C ATOM 1798 CG ASP B 124 13.835 -4.475 -9.287 1.00 0.00 C ATOM 1799 OD1 ASP B 124 12.944 -3.777 -8.756 1.00 0.00 O ATOM 1800 OD2 ASP B 124 14.027 -4.489 -10.517 1.00 0.00 O ATOM 0 H ASP B 124 15.760 -7.553 -7.499 1.00 0.00 H new ATOM 0 HA ASP B 124 13.225 -6.096 -7.048 1.00 0.00 H new ATOM 0 HB2 ASP B 124 15.163 -4.693 -7.632 1.00 0.00 H new ATOM 0 HB3 ASP B 124 15.541 -5.722 -8.998 1.00 0.00 H new ATOM 1805 N GLY B 125 11.972 -7.076 -8.959 1.00 0.00 N ATOM 1806 CA GLY B 125 11.192 -7.798 -9.935 1.00 0.00 C ATOM 1807 C GLY B 125 9.872 -7.120 -10.201 1.00 0.00 C ATOM 1808 O GLY B 125 9.657 -5.976 -9.765 1.00 0.00 O ATOM 0 H GLY B 125 11.444 -6.391 -8.418 1.00 0.00 H new ATOM 0 HA2 GLY B 125 11.755 -7.878 -10.865 1.00 0.00 H new ATOM 0 HA3 GLY B 125 11.015 -8.814 -9.581 1.00 0.00 H new ATOM 1812 N GLY B 126 8.989 -7.811 -10.892 1.00 0.00 N ATOM 1813 CA GLY B 126 7.695 -7.262 -11.227 1.00 0.00 C ATOM 1814 C GLY B 126 6.611 -7.816 -10.328 1.00 0.00 C ATOM 1815 O GLY B 126 6.563 -9.029 -10.073 1.00 0.00 O ATOM 0 H GLY B 126 9.147 -8.759 -11.233 1.00 0.00 H new ATOM 0 HA2 GLY B 126 7.724 -6.176 -11.137 1.00 0.00 H new ATOM 0 HA3 GLY B 126 7.459 -7.490 -12.267 1.00 0.00 H new ATOM 1819 N GLY B 127 5.742 -6.959 -9.858 1.00 0.00 N ATOM 1820 CA GLY B 127 4.701 -7.382 -8.959 1.00 0.00 C ATOM 1821 C GLY B 127 3.386 -7.669 -9.661 1.00 0.00 C ATOM 1822 O GLY B 127 2.407 -6.929 -9.500 1.00 0.00 O ATOM 0 H GLY B 127 5.735 -5.964 -10.083 1.00 0.00 H new ATOM 0 HA2 GLY B 127 5.027 -8.278 -8.431 1.00 0.00 H new ATOM 0 HA3 GLY B 127 4.543 -6.609 -8.207 1.00 0.00 H new ATOM 1826 N SER B 128 3.354 -8.734 -10.402 1.00 0.00 N ATOM 1827 CA SER B 128 2.179 -9.146 -11.116 1.00 0.00 C ATOM 1828 C SER B 128 1.192 -9.862 -10.171 1.00 0.00 C ATOM 1829 O SER B 128 1.513 -10.924 -9.620 1.00 0.00 O ATOM 1830 CB SER B 128 2.633 -10.059 -12.251 1.00 0.00 C ATOM 1831 OG SER B 128 3.590 -11.004 -11.764 1.00 0.00 O ATOM 0 H SER B 128 4.155 -9.353 -10.531 1.00 0.00 H new ATOM 0 HA SER B 128 1.650 -8.284 -11.523 1.00 0.00 H new ATOM 0 HB2 SER B 128 1.775 -10.582 -12.673 1.00 0.00 H new ATOM 0 HB3 SER B 128 3.071 -9.465 -13.053 1.00 0.00 H new ATOM 0 HG SER B 128 3.308 -11.331 -10.884 1.00 0.00 H new ATOM 1837 N GLY B 129 0.026 -9.270 -9.961 1.00 0.00 N ATOM 1838 CA GLY B 129 -0.967 -9.861 -9.091 1.00 0.00 C ATOM 1839 C GLY B 129 -2.274 -9.120 -9.186 1.00 0.00 C ATOM 1840 O GLY B 129 -2.274 -7.886 -9.322 1.00 0.00 O ATOM 0 H GLY B 129 -0.251 -8.383 -10.382 1.00 0.00 H new ATOM 0 HA2 GLY B 129 -1.117 -10.906 -9.361 1.00 0.00 H new ATOM 0 HA3 GLY B 129 -0.610 -9.846 -8.061 1.00 0.00 H new ATOM 1844 N GLY B 130 -3.378 -9.836 -9.114 1.00 0.00 N ATOM 1845 CA GLY B 130 -4.677 -9.213 -9.247 1.00 0.00 C ATOM 1846 C GLY B 130 -5.689 -9.764 -8.271 1.00 0.00 C ATOM 1847 O GLY B 130 -5.400 -9.897 -7.080 1.00 0.00 O ATOM 0 H GLY B 130 -3.401 -10.845 -8.965 1.00 0.00 H new ATOM 0 HA2 GLY B 130 -4.578 -8.138 -9.094 1.00 0.00 H new ATOM 0 HA3 GLY B 130 -5.043 -9.357 -10.264 1.00 0.00 H new ATOM 1851 N GLY B 131 -6.862 -10.089 -8.773 1.00 0.00 N ATOM 1852 CA GLY B 131 -7.928 -10.614 -7.944 1.00 0.00 C ATOM 1853 C GLY B 131 -8.870 -9.516 -7.490 1.00 0.00 C ATOM 1854 O GLY B 131 -8.524 -8.723 -6.602 1.00 0.00 O ATOM 0 H GLY B 131 -7.103 -9.998 -9.760 1.00 0.00 H new ATOM 0 HA2 GLY B 131 -8.486 -11.367 -8.501 1.00 0.00 H new ATOM 0 HA3 GLY B 131 -7.502 -11.112 -7.073 1.00 0.00 H new ATOM 1858 N SER B 132 -10.024 -9.424 -8.114 1.00 0.00 N ATOM 1859 CA SER B 132 -11.008 -8.411 -7.771 1.00 0.00 C ATOM 1860 C SER B 132 -12.414 -9.026 -7.788 1.00 0.00 C ATOM 1861 O SER B 132 -12.704 -9.903 -8.611 1.00 0.00 O ATOM 1862 CB SER B 132 -10.927 -7.271 -8.778 1.00 0.00 C ATOM 1863 OG SER B 132 -9.574 -6.835 -8.938 1.00 0.00 O ATOM 0 H SER B 132 -10.310 -10.045 -8.871 1.00 0.00 H new ATOM 0 HA SER B 132 -10.803 -8.027 -6.772 1.00 0.00 H new ATOM 0 HB2 SER B 132 -11.325 -7.598 -9.738 1.00 0.00 H new ATOM 0 HB3 SER B 132 -11.546 -6.438 -8.443 1.00 0.00 H new ATOM 0 HG SER B 132 -9.541 -6.103 -9.589 1.00 0.00 H new ATOM 1869 N GLY B 133 -13.236 -8.628 -6.851 1.00 0.00 N ATOM 1870 CA GLY B 133 -14.592 -9.109 -6.761 1.00 0.00 C ATOM 1871 C GLY B 133 -15.549 -8.249 -7.544 1.00 0.00 C ATOM 1872 O GLY B 133 -15.568 -8.302 -8.778 1.00 0.00 O ATOM 0 H GLY B 133 -12.983 -7.958 -6.125 1.00 0.00 H new ATOM 0 HA2 GLY B 133 -14.639 -10.133 -7.131 1.00 0.00 H new ATOM 0 HA3 GLY B 133 -14.899 -9.134 -5.715 1.00 0.00 H new ATOM 1876 N GLY B 134 -16.352 -7.472 -6.849 1.00 0.00 N ATOM 1877 CA GLY B 134 -17.267 -6.595 -7.520 1.00 0.00 C ATOM 1878 C GLY B 134 -18.452 -6.225 -6.674 1.00 0.00 C ATOM 1879 O GLY B 134 -19.524 -6.819 -6.809 1.00 0.00 O ATOM 0 H GLY B 134 -16.385 -7.434 -5.830 1.00 0.00 H new ATOM 0 HA2 GLY B 134 -16.741 -5.687 -7.816 1.00 0.00 H new ATOM 0 HA3 GLY B 134 -17.616 -7.074 -8.435 1.00 0.00 H new ATOM 1883 N GLY B 135 -18.279 -5.253 -5.812 1.00 0.00 N ATOM 1884 CA GLY B 135 -19.361 -4.810 -4.959 1.00 0.00 C ATOM 1885 C GLY B 135 -19.694 -3.353 -5.195 1.00 0.00 C ATOM 1886 O GLY B 135 -20.862 -2.974 -5.258 1.00 0.00 O ATOM 0 H GLY B 135 -17.400 -4.752 -5.681 1.00 0.00 H new ATOM 0 HA2 GLY B 135 -20.245 -5.421 -5.144 1.00 0.00 H new ATOM 0 HA3 GLY B 135 -19.085 -4.957 -3.915 1.00 0.00 H new ATOM 1890 N SER B 136 -18.671 -2.542 -5.336 1.00 0.00 N ATOM 1891 CA SER B 136 -18.840 -1.135 -5.576 1.00 0.00 C ATOM 1892 C SER B 136 -17.704 -0.609 -6.475 1.00 0.00 C ATOM 1893 O SER B 136 -17.958 -0.059 -7.547 1.00 0.00 O ATOM 1894 CB SER B 136 -18.890 -0.368 -4.233 1.00 0.00 C ATOM 1895 OG SER B 136 -19.180 1.019 -4.410 1.00 0.00 O ATOM 0 H SER B 136 -17.698 -2.844 -5.287 1.00 0.00 H new ATOM 0 HA SER B 136 -19.785 -0.972 -6.095 1.00 0.00 H new ATOM 0 HB2 SER B 136 -19.647 -0.816 -3.590 1.00 0.00 H new ATOM 0 HB3 SER B 136 -17.934 -0.474 -3.721 1.00 0.00 H new ATOM 0 HG SER B 136 -19.900 1.283 -3.800 1.00 0.00 H new ATOM 1901 N LEU B 137 -16.463 -0.795 -6.052 1.00 0.00 N ATOM 1902 CA LEU B 137 -15.311 -0.279 -6.806 1.00 0.00 C ATOM 1903 C LEU B 137 -14.560 -1.399 -7.518 1.00 0.00 C ATOM 1904 O LEU B 137 -14.128 -1.257 -8.648 1.00 0.00 O ATOM 1905 CB LEU B 137 -14.335 0.437 -5.863 1.00 0.00 C ATOM 1906 CG LEU B 137 -14.888 1.578 -5.019 1.00 0.00 C ATOM 1907 CD1 LEU B 137 -13.783 2.151 -4.152 1.00 0.00 C ATOM 1908 CD2 LEU B 137 -15.494 2.659 -5.897 1.00 0.00 C ATOM 0 H LEU B 137 -16.220 -1.295 -5.197 1.00 0.00 H new ATOM 0 HA LEU B 137 -15.699 0.417 -7.549 1.00 0.00 H new ATOM 0 HB2 LEU B 137 -13.911 -0.307 -5.188 1.00 0.00 H new ATOM 0 HB3 LEU B 137 -13.513 0.829 -6.462 1.00 0.00 H new ATOM 0 HG LEU B 137 -15.679 1.189 -4.378 1.00 0.00 H new ATOM 0 HD11 LEU B 137 -14.180 2.967 -3.549 1.00 0.00 H new ATOM 0 HD12 LEU B 137 -13.393 1.372 -3.497 1.00 0.00 H new ATOM 0 HD13 LEU B 137 -12.980 2.526 -4.787 1.00 0.00 H new ATOM 0 HD21 LEU B 137 -15.882 3.462 -5.270 1.00 0.00 H new ATOM 0 HD22 LEU B 137 -14.730 3.057 -6.565 1.00 0.00 H new ATOM 0 HD23 LEU B 137 -16.306 2.235 -6.487 1.00 0.00 H new ATOM 1920 N GLU B 138 -14.493 -2.518 -6.857 1.00 0.00 N ATOM 1921 CA GLU B 138 -13.651 -3.651 -7.219 1.00 0.00 C ATOM 1922 C GLU B 138 -14.081 -4.442 -8.471 1.00 0.00 C ATOM 1923 O GLU B 138 -13.334 -5.288 -8.937 1.00 0.00 O ATOM 1924 CB GLU B 138 -13.349 -4.582 -5.998 1.00 0.00 C ATOM 1925 CG GLU B 138 -14.556 -5.187 -5.251 1.00 0.00 C ATOM 1926 CD GLU B 138 -15.405 -4.178 -4.509 1.00 0.00 C ATOM 1927 OE1 GLU B 138 -16.250 -3.533 -5.148 1.00 0.00 O ATOM 1928 OE2 GLU B 138 -15.279 -4.038 -3.296 1.00 0.00 O ATOM 0 H GLU B 138 -15.042 -2.686 -6.014 1.00 0.00 H new ATOM 0 HA GLU B 138 -12.714 -3.185 -7.525 1.00 0.00 H new ATOM 0 HB2 GLU B 138 -12.723 -5.403 -6.347 1.00 0.00 H new ATOM 0 HB3 GLU B 138 -12.758 -4.014 -5.279 1.00 0.00 H new ATOM 0 HG2 GLU B 138 -15.185 -5.714 -5.969 1.00 0.00 H new ATOM 0 HG3 GLU B 138 -14.192 -5.929 -4.541 1.00 0.00 H new ATOM 1935 N CYS B 139 -15.278 -4.181 -8.987 1.00 0.00 N ATOM 1936 CA CYS B 139 -15.828 -4.955 -10.111 1.00 0.00 C ATOM 1937 C CYS B 139 -14.926 -4.881 -11.367 1.00 0.00 C ATOM 1938 O CYS B 139 -14.455 -5.912 -11.859 1.00 0.00 O ATOM 1939 CB CYS B 139 -17.259 -4.491 -10.425 1.00 0.00 C ATOM 1940 SG CYS B 139 -18.183 -5.552 -11.550 1.00 0.00 S ATOM 0 H CYS B 139 -15.892 -3.440 -8.649 1.00 0.00 H new ATOM 0 HA CYS B 139 -15.858 -6.002 -9.810 1.00 0.00 H new ATOM 0 HB2 CYS B 139 -17.812 -4.413 -9.489 1.00 0.00 H new ATOM 0 HB3 CYS B 139 -17.213 -3.489 -10.852 1.00 0.00 H new ATOM 0 HG CYS B 139 -19.371 -5.058 -11.734 1.00 0.00 H new ATOM 1946 N ASP B 140 -14.678 -3.681 -11.863 1.00 0.00 N ATOM 1947 CA ASP B 140 -13.822 -3.497 -13.040 1.00 0.00 C ATOM 1948 C ASP B 140 -12.961 -2.274 -12.808 1.00 0.00 C ATOM 1949 O ASP B 140 -13.246 -1.171 -13.297 1.00 0.00 O ATOM 1950 CB ASP B 140 -14.661 -3.339 -14.326 1.00 0.00 C ATOM 1951 CG ASP B 140 -13.825 -3.302 -15.595 1.00 0.00 C ATOM 1952 OD1 ASP B 140 -13.586 -4.369 -16.192 1.00 0.00 O ATOM 1953 OD2 ASP B 140 -13.428 -2.209 -16.052 1.00 0.00 O ATOM 0 H ASP B 140 -15.053 -2.815 -11.475 1.00 0.00 H new ATOM 0 HA ASP B 140 -13.195 -4.378 -13.178 1.00 0.00 H new ATOM 0 HB2 ASP B 140 -15.370 -4.164 -14.391 1.00 0.00 H new ATOM 0 HB3 ASP B 140 -15.245 -2.421 -14.259 1.00 0.00 H new ATOM 1958 N MET B 141 -12.016 -2.426 -11.927 1.00 0.00 N ATOM 1959 CA MET B 141 -11.202 -1.306 -11.512 1.00 0.00 C ATOM 1960 C MET B 141 -9.800 -1.250 -12.081 1.00 0.00 C ATOM 1961 O MET B 141 -9.297 -0.161 -12.289 1.00 0.00 O ATOM 1962 CB MET B 141 -11.148 -1.164 -10.003 1.00 0.00 C ATOM 1963 CG MET B 141 -10.614 -2.364 -9.247 1.00 0.00 C ATOM 1964 SD MET B 141 -10.474 -2.010 -7.497 1.00 0.00 S ATOM 1965 CE MET B 141 -9.913 -3.577 -6.861 1.00 0.00 C ATOM 0 H MET B 141 -11.785 -3.312 -11.478 1.00 0.00 H new ATOM 0 HA MET B 141 -11.727 -0.457 -11.950 1.00 0.00 H new ATOM 0 HB2 MET B 141 -10.529 -0.300 -9.760 1.00 0.00 H new ATOM 0 HB3 MET B 141 -12.153 -0.948 -9.641 1.00 0.00 H new ATOM 0 HG2 MET B 141 -11.276 -3.217 -9.397 1.00 0.00 H new ATOM 0 HG3 MET B 141 -9.638 -2.644 -9.644 1.00 0.00 H new ATOM 0 HE1 MET B 141 -9.613 -3.461 -5.819 1.00 0.00 H new ATOM 0 HE2 MET B 141 -10.720 -4.306 -6.927 1.00 0.00 H new ATOM 0 HE3 MET B 141 -9.062 -3.924 -7.447 1.00 0.00 H new ATOM 1975 N GLU B 142 -9.185 -2.413 -12.329 1.00 0.00 N ATOM 1976 CA GLU B 142 -7.727 -2.535 -12.642 1.00 0.00 C ATOM 1977 C GLU B 142 -7.086 -1.445 -13.497 1.00 0.00 C ATOM 1978 O GLU B 142 -6.028 -0.931 -13.112 1.00 0.00 O ATOM 1979 CB GLU B 142 -7.279 -3.934 -13.059 1.00 0.00 C ATOM 1980 CG GLU B 142 -7.261 -4.924 -11.902 1.00 0.00 C ATOM 1981 CD GLU B 142 -6.627 -6.244 -12.267 1.00 0.00 C ATOM 1982 OE1 GLU B 142 -5.380 -6.353 -12.214 1.00 0.00 O ATOM 1983 OE2 GLU B 142 -7.361 -7.198 -12.605 1.00 0.00 O ATOM 0 H GLU B 142 -9.673 -3.309 -12.322 1.00 0.00 H new ATOM 0 HA GLU B 142 -7.313 -2.344 -11.652 1.00 0.00 H new ATOM 0 HB2 GLU B 142 -7.945 -4.306 -13.837 1.00 0.00 H new ATOM 0 HB3 GLU B 142 -6.282 -3.875 -13.495 1.00 0.00 H new ATOM 0 HG2 GLU B 142 -6.719 -4.486 -11.064 1.00 0.00 H new ATOM 0 HG3 GLU B 142 -8.283 -5.099 -11.564 1.00 0.00 H new ATOM 1990 N SER B 143 -7.701 -1.066 -14.596 1.00 0.00 N ATOM 1991 CA SER B 143 -7.148 -0.012 -15.436 1.00 0.00 C ATOM 1992 C SER B 143 -7.127 1.332 -14.663 1.00 0.00 C ATOM 1993 O SER B 143 -6.055 1.985 -14.492 1.00 0.00 O ATOM 1994 CB SER B 143 -8.003 0.115 -16.692 1.00 0.00 C ATOM 1995 OG SER B 143 -8.166 -1.149 -17.316 1.00 0.00 O ATOM 0 H SER B 143 -8.578 -1.465 -14.932 1.00 0.00 H new ATOM 0 HA SER B 143 -6.124 -0.262 -15.714 1.00 0.00 H new ATOM 0 HB2 SER B 143 -8.978 0.528 -16.434 1.00 0.00 H new ATOM 0 HB3 SER B 143 -7.536 0.812 -17.387 1.00 0.00 H new ATOM 0 HG SER B 143 -8.719 -1.049 -18.119 1.00 0.00 H new ATOM 2001 N ILE B 144 -8.287 1.680 -14.126 1.00 0.00 N ATOM 2002 CA ILE B 144 -8.497 2.929 -13.423 1.00 0.00 C ATOM 2003 C ILE B 144 -7.643 2.970 -12.162 1.00 0.00 C ATOM 2004 O ILE B 144 -6.862 3.909 -11.967 1.00 0.00 O ATOM 2005 CB ILE B 144 -9.999 3.113 -13.034 1.00 0.00 C ATOM 2006 CG1 ILE B 144 -10.916 2.980 -14.271 1.00 0.00 C ATOM 2007 CG2 ILE B 144 -10.232 4.458 -12.334 1.00 0.00 C ATOM 2008 CD1 ILE B 144 -10.618 3.959 -15.391 1.00 0.00 C ATOM 0 H ILE B 144 -9.119 1.091 -14.169 1.00 0.00 H new ATOM 0 HA ILE B 144 -8.208 3.740 -14.091 1.00 0.00 H new ATOM 0 HB ILE B 144 -10.254 2.318 -12.333 1.00 0.00 H new ATOM 0 HG12 ILE B 144 -10.831 1.966 -14.661 1.00 0.00 H new ATOM 0 HG13 ILE B 144 -11.951 3.115 -13.955 1.00 0.00 H new ATOM 0 HG21 ILE B 144 -11.286 4.556 -12.076 1.00 0.00 H new ATOM 0 HG22 ILE B 144 -9.630 4.505 -11.426 1.00 0.00 H new ATOM 0 HG23 ILE B 144 -9.945 5.270 -13.002 1.00 0.00 H new ATOM 0 HD11 ILE B 144 -11.311 3.791 -16.215 1.00 0.00 H new ATOM 0 HD12 ILE B 144 -10.733 4.979 -15.023 1.00 0.00 H new ATOM 0 HD13 ILE B 144 -9.596 3.812 -15.740 1.00 0.00 H new ATOM 2020 N ILE B 145 -7.745 1.919 -11.349 1.00 0.00 N ATOM 2021 CA ILE B 145 -7.026 1.855 -10.083 1.00 0.00 C ATOM 2022 C ILE B 145 -5.534 1.967 -10.281 1.00 0.00 C ATOM 2023 O ILE B 145 -4.899 2.720 -9.601 1.00 0.00 O ATOM 2024 CB ILE B 145 -7.379 0.597 -9.199 1.00 0.00 C ATOM 2025 CG1 ILE B 145 -6.597 0.620 -7.878 1.00 0.00 C ATOM 2026 CG2 ILE B 145 -7.117 -0.694 -9.931 1.00 0.00 C ATOM 2027 CD1 ILE B 145 -6.888 -0.549 -6.968 1.00 0.00 C ATOM 0 H ILE B 145 -8.320 1.100 -11.548 1.00 0.00 H new ATOM 0 HA ILE B 145 -7.373 2.723 -9.522 1.00 0.00 H new ATOM 0 HB ILE B 145 -8.446 0.649 -8.981 1.00 0.00 H new ATOM 0 HG12 ILE B 145 -5.530 0.637 -8.100 1.00 0.00 H new ATOM 0 HG13 ILE B 145 -6.827 1.545 -7.348 1.00 0.00 H new ATOM 0 HG21 ILE B 145 -7.373 -1.536 -9.287 1.00 0.00 H new ATOM 0 HG22 ILE B 145 -7.726 -0.730 -10.835 1.00 0.00 H new ATOM 0 HG23 ILE B 145 -6.063 -0.752 -10.201 1.00 0.00 H new ATOM 0 HD11 ILE B 145 -6.296 -0.457 -6.057 1.00 0.00 H new ATOM 0 HD12 ILE B 145 -7.948 -0.556 -6.713 1.00 0.00 H new ATOM 0 HD13 ILE B 145 -6.631 -1.478 -7.476 1.00 0.00 H new ATOM 2039 N ARG B 146 -4.997 1.269 -11.270 1.00 0.00 N ATOM 2040 CA ARG B 146 -3.569 1.287 -11.526 1.00 0.00 C ATOM 2041 C ARG B 146 -3.097 2.696 -11.872 1.00 0.00 C ATOM 2042 O ARG B 146 -2.105 3.177 -11.310 1.00 0.00 O ATOM 2043 CB ARG B 146 -3.241 0.299 -12.628 1.00 0.00 C ATOM 2044 CG ARG B 146 -1.777 0.155 -12.983 1.00 0.00 C ATOM 2045 CD ARG B 146 -1.608 -0.972 -13.983 1.00 0.00 C ATOM 2046 NE ARG B 146 -2.443 -0.760 -15.169 1.00 0.00 N ATOM 2047 CZ ARG B 146 -3.222 -1.679 -15.754 1.00 0.00 C ATOM 2048 NH1 ARG B 146 -3.325 -2.908 -15.248 1.00 0.00 N ATOM 2049 NH2 ARG B 146 -3.910 -1.350 -16.842 1.00 0.00 N ATOM 0 H ARG B 146 -5.533 0.682 -11.909 1.00 0.00 H new ATOM 0 HA ARG B 146 -3.037 0.986 -10.624 1.00 0.00 H new ATOM 0 HB2 ARG B 146 -3.620 -0.680 -12.334 1.00 0.00 H new ATOM 0 HB3 ARG B 146 -3.784 0.595 -13.526 1.00 0.00 H new ATOM 0 HG2 ARG B 146 -1.400 1.088 -13.403 1.00 0.00 H new ATOM 0 HG3 ARG B 146 -1.193 -0.050 -12.086 1.00 0.00 H new ATOM 0 HD2 ARG B 146 -0.562 -1.044 -14.280 1.00 0.00 H new ATOM 0 HD3 ARG B 146 -1.872 -1.920 -13.514 1.00 0.00 H new ATOM 0 HE ARG B 146 -2.430 0.171 -15.586 1.00 0.00 H new ATOM 0 HH11 ARG B 146 -2.807 -3.158 -14.406 1.00 0.00 H new ATOM 0 HH12 ARG B 146 -3.922 -3.599 -15.703 1.00 0.00 H new ATOM 0 HH21 ARG B 146 -3.841 -0.406 -17.223 1.00 0.00 H new ATOM 0 HH22 ARG B 146 -4.507 -2.041 -17.296 1.00 0.00 H new ATOM 2063 N SER B 147 -3.837 3.375 -12.748 1.00 0.00 N ATOM 2064 CA SER B 147 -3.472 4.734 -13.132 1.00 0.00 C ATOM 2065 C SER B 147 -3.595 5.754 -11.969 1.00 0.00 C ATOM 2066 O SER B 147 -2.835 6.732 -11.906 1.00 0.00 O ATOM 2067 CB SER B 147 -4.271 5.171 -14.359 1.00 0.00 C ATOM 2068 OG SER B 147 -5.674 4.937 -14.186 1.00 0.00 O ATOM 0 H SER B 147 -4.678 3.013 -13.197 1.00 0.00 H new ATOM 0 HA SER B 147 -2.414 4.720 -13.392 1.00 0.00 H new ATOM 0 HB2 SER B 147 -4.099 6.231 -14.547 1.00 0.00 H new ATOM 0 HB3 SER B 147 -3.917 4.630 -15.236 1.00 0.00 H new ATOM 0 HG SER B 147 -5.847 4.651 -13.265 1.00 0.00 H new ATOM 2074 N GLU B 148 -4.551 5.533 -11.068 1.00 0.00 N ATOM 2075 CA GLU B 148 -4.743 6.420 -9.918 1.00 0.00 C ATOM 2076 C GLU B 148 -3.744 6.085 -8.820 1.00 0.00 C ATOM 2077 O GLU B 148 -3.317 6.953 -8.057 1.00 0.00 O ATOM 2078 CB GLU B 148 -6.168 6.291 -9.353 1.00 0.00 C ATOM 2079 CG GLU B 148 -7.277 6.615 -10.341 1.00 0.00 C ATOM 2080 CD GLU B 148 -7.164 8.001 -10.908 1.00 0.00 C ATOM 2081 OE1 GLU B 148 -7.686 8.958 -10.296 1.00 0.00 O ATOM 2082 OE2 GLU B 148 -6.564 8.163 -11.981 1.00 0.00 O ATOM 0 H GLU B 148 -5.204 4.750 -11.110 1.00 0.00 H new ATOM 0 HA GLU B 148 -4.587 7.443 -10.260 1.00 0.00 H new ATOM 0 HB2 GLU B 148 -6.309 5.273 -8.991 1.00 0.00 H new ATOM 0 HB3 GLU B 148 -6.263 6.952 -8.492 1.00 0.00 H new ATOM 0 HG2 GLU B 148 -7.255 5.891 -11.156 1.00 0.00 H new ATOM 0 HG3 GLU B 148 -8.242 6.508 -9.845 1.00 0.00 H new ATOM 2089 N LEU B 149 -3.396 4.823 -8.758 1.00 0.00 N ATOM 2090 CA LEU B 149 -2.532 4.279 -7.746 1.00 0.00 C ATOM 2091 C LEU B 149 -1.122 4.787 -7.887 1.00 0.00 C ATOM 2092 O LEU B 149 -0.560 5.310 -6.946 1.00 0.00 O ATOM 2093 CB LEU B 149 -2.490 2.757 -7.861 1.00 0.00 C ATOM 2094 CG LEU B 149 -1.844 2.008 -6.712 1.00 0.00 C ATOM 2095 CD1 LEU B 149 -2.809 1.878 -5.541 1.00 0.00 C ATOM 2096 CD2 LEU B 149 -1.336 0.662 -7.170 1.00 0.00 C ATOM 0 H LEU B 149 -3.717 4.128 -9.432 1.00 0.00 H new ATOM 0 HA LEU B 149 -2.933 4.589 -6.781 1.00 0.00 H new ATOM 0 HB2 LEU B 149 -3.512 2.395 -7.972 1.00 0.00 H new ATOM 0 HB3 LEU B 149 -1.959 2.499 -8.777 1.00 0.00 H new ATOM 0 HG LEU B 149 -0.985 2.582 -6.365 1.00 0.00 H new ATOM 0 HD11 LEU B 149 -2.324 1.337 -4.728 1.00 0.00 H new ATOM 0 HD12 LEU B 149 -3.097 2.871 -5.195 1.00 0.00 H new ATOM 0 HD13 LEU B 149 -3.697 1.333 -5.860 1.00 0.00 H new ATOM 0 HD21 LEU B 149 -0.876 0.142 -6.330 1.00 0.00 H new ATOM 0 HD22 LEU B 149 -2.168 0.070 -7.552 1.00 0.00 H new ATOM 0 HD23 LEU B 149 -0.597 0.801 -7.959 1.00 0.00 H new ATOM 2108 N MET B 150 -0.536 4.618 -9.064 1.00 0.00 N ATOM 2109 CA MET B 150 0.870 4.909 -9.212 1.00 0.00 C ATOM 2110 C MET B 150 1.282 5.014 -10.673 1.00 0.00 C ATOM 2111 O MET B 150 0.448 4.945 -11.577 1.00 0.00 O ATOM 2112 CB MET B 150 1.677 3.799 -8.481 1.00 0.00 C ATOM 2113 CG MET B 150 1.380 2.358 -8.960 1.00 0.00 C ATOM 2114 SD MET B 150 1.982 1.945 -10.614 1.00 0.00 S ATOM 2115 CE MET B 150 1.483 0.226 -10.739 1.00 0.00 C ATOM 0 H MET B 150 -1.005 4.289 -9.908 1.00 0.00 H new ATOM 0 HA MET B 150 1.082 5.881 -8.767 1.00 0.00 H new ATOM 0 HB2 MET B 150 2.741 3.998 -8.611 1.00 0.00 H new ATOM 0 HB3 MET B 150 1.469 3.862 -7.413 1.00 0.00 H new ATOM 0 HG2 MET B 150 1.820 1.660 -8.248 1.00 0.00 H new ATOM 0 HG3 MET B 150 0.302 2.201 -8.936 1.00 0.00 H new ATOM 0 HE1 MET B 150 1.606 -0.115 -11.767 1.00 0.00 H new ATOM 0 HE2 MET B 150 2.102 -0.381 -10.079 1.00 0.00 H new ATOM 0 HE3 MET B 150 0.437 0.129 -10.447 1.00 0.00 H new ATOM 2125 N ASP B 151 2.573 5.190 -10.880 1.00 0.00 N ATOM 2126 CA ASP B 151 3.183 5.218 -12.204 1.00 0.00 C ATOM 2127 C ASP B 151 4.362 4.293 -12.078 1.00 0.00 C ATOM 2128 O ASP B 151 4.397 3.172 -12.600 1.00 0.00 O ATOM 2129 CB ASP B 151 3.778 6.617 -12.559 1.00 0.00 C ATOM 2130 CG ASP B 151 2.948 7.808 -12.178 1.00 0.00 C ATOM 2131 OD1 ASP B 151 2.043 8.210 -12.949 1.00 0.00 O ATOM 2132 OD2 ASP B 151 3.232 8.399 -11.109 1.00 0.00 O ATOM 0 H ASP B 151 3.243 5.320 -10.122 1.00 0.00 H new ATOM 0 HA ASP B 151 2.443 4.959 -12.961 1.00 0.00 H new ATOM 0 HB2 ASP B 151 4.750 6.708 -12.075 1.00 0.00 H new ATOM 0 HB3 ASP B 151 3.953 6.652 -13.634 1.00 0.00 H new ATOM 2137 N ALA B 152 5.258 4.766 -11.255 1.00 0.00 N ATOM 2138 CA ALA B 152 6.493 4.206 -10.881 1.00 0.00 C ATOM 2139 C ALA B 152 7.013 5.253 -9.956 1.00 0.00 C ATOM 2140 O ALA B 152 8.157 5.658 -10.050 1.00 0.00 O ATOM 2141 CB ALA B 152 7.416 4.036 -12.088 1.00 0.00 C ATOM 2142 OXT ALA B 152 6.137 5.835 -9.256 1.00 0.00 O ATOM 0 H ALA B 152 5.104 5.658 -10.785 1.00 0.00 H new ATOM 0 HA ALA B 152 6.418 3.210 -10.443 1.00 0.00 H new ATOM 0 HB1 ALA B 152 8.362 3.601 -11.764 1.00 0.00 H new ATOM 0 HB2 ALA B 152 6.944 3.377 -12.817 1.00 0.00 H new ATOM 0 HB3 ALA B 152 7.601 5.008 -12.544 1.00 0.00 H new TER 2148 ALA B 152