USER MOD reduce.3.24.130724 H: found=0, std=0, add=995, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 996 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 48 SER OG : rot 93:sc= 1.16 USER MOD Set 1.2: A 66 HIS : no HD1:sc= -9.85! C(o=-8.7!,f=-12!) USER MOD Set 2.1: A 58 ASN : amide:sc= -4.22! C(o=-3.5!,f=-7.7!) USER MOD Set 2.2: A 61 LYS NZ :NH3+ -159:sc= 0.72 (180deg=0) USER MOD Set 3.1: A 42 MET CE :methyl 175:sc= -3.11 (180deg=-2.31) USER MOD Set 3.2: A 76 THR OG1 : rot 94:sc= 0.374 USER MOD Set 4.1: A 1 GLN :FLIP amide:sc= 0.0885 F(o=-6.6!,f=-2.1) USER MOD Set 4.2: A 3 GLN :FLIP amide:sc= -2.18! C(o=-4!,f=-2.1!) USER MOD Single : A 1 GLN N :NH3+ -113:sc= 0.0894 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 ASN :FLIP amide:sc= -6.06! C(o=-7.9!,f=-6.1!) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 GLN : amide:sc= -0.591 X(o=-0.59,f=-0.27) USER MOD Single : A 37 THR OG1 : rot -60:sc= 0.193 USER MOD Single : A 39 CYS SG : rot -53:sc= -3.66! USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0.492 (180deg=0.492) USER MOD Single : A 46 LYS NZ :NH3+ -120:sc= 1.28 (180deg=-1.15!) USER MOD Single : A 49 MET CE :methyl -144:sc= -0.172 (180deg=-0.765) USER MOD Single : A 52 LYS NZ :NH3+ 158:sc= 1.21 (180deg=0.855) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 GLN :FLIP amide:sc= -3.17 F(o=-4.4!,f=-3.2) USER MOD Single : A 63 ASN : amide:sc= -1.36 K(o=-1.4,f=-3.7!) USER MOD Single : A 68 ASN : amide:sc= 0.865 K(o=0.86,f=-0.32) USER MOD Single : A 72 HIS : no HE2:sc= 0.149 K(o=0.15,f=-5.5!) USER MOD Single : A 81 GLN : amide:sc=-0.00258 K(o=-0.0026,f=-0.85) USER MOD Single : A 82 ASN : amide:sc= 0 X(o=0,f=-0.055) USER MOD Single : A 87 LYS NZ :NH3+ 166:sc= -0.0374 (180deg=-0.252) USER MOD Single : A 89 LYS NZ :NH3+ 166:sc= 1.13 (180deg=0.587) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD Single : A 110 LYS NZ :NH3+ -169:sc= -0.0127 (180deg=-0.167) USER MOD Single : A 111 LYS NZ :NH3+ -141:sc= 0.387 (180deg=-1.38!) USER MOD Single : A 112 MET CE :methyl 167:sc= -0.0349 (180deg=-0.306) USER MOD Single : A 113 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.000568) USER MOD Single : A 115 MET CE :methyl -116:sc= -1.55 (180deg=-2.99!) USER MOD Single : A 121 ASN : amide:sc= -0.384 X(o=-0.38,f=-0.025) USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 1 -10.312 15.518 -11.801 1.00 0.76 N ATOM 2 CA GLN A 1 -9.691 14.946 -10.590 1.00 0.55 C ATOM 3 C GLN A 1 -8.429 14.194 -10.983 1.00 0.49 C ATOM 4 O GLN A 1 -8.202 13.926 -12.162 1.00 0.60 O ATOM 5 CB GLN A 1 -10.673 14.002 -9.874 1.00 0.52 C ATOM 6 CG GLN A 1 -10.523 12.546 -10.262 1.00 0.69 C ATOM 7 CD GLN A 1 -11.710 11.694 -9.868 1.00 0.71 C ATOM 8 OE1 GLN A 1 -11.671 11.144 -8.668 1.00 1.40 O flip ATOM 9 NE2 GLN A 1 -12.654 11.530 -10.639 1.00 0.88 N flip ATOM 0 H1 GLN A 1 -10.255 16.556 -11.763 1.00 0.76 H new ATOM 0 H2 GLN A 1 -9.810 15.174 -12.644 1.00 0.76 H new ATOM 0 H3 GLN A 1 -11.309 15.227 -11.850 1.00 0.76 H new ATOM 0 HA GLN A 1 -9.435 15.753 -9.903 1.00 0.55 H new ATOM 0 HB2 GLN A 1 -10.532 14.097 -8.797 1.00 0.52 H new ATOM 0 HB3 GLN A 1 -11.692 14.322 -10.091 1.00 0.52 H new ATOM 0 HG2 GLN A 1 -10.378 12.478 -11.340 1.00 0.69 H new ATOM 0 HG3 GLN A 1 -9.625 12.143 -9.794 1.00 0.69 H new ATOM 0 HE21 GLN A 1 -12.645 11.973 -11.558 1.00 0.88 H new ATOM 0 HE22 GLN A 1 -13.446 10.951 -10.360 1.00 0.88 H new ATOM 20 N LEU A 2 -7.606 13.861 -10.006 1.00 0.39 N ATOM 21 CA LEU A 2 -6.461 13.008 -10.247 1.00 0.36 C ATOM 22 C LEU A 2 -6.530 11.773 -9.378 1.00 0.26 C ATOM 23 O LEU A 2 -6.834 11.855 -8.185 1.00 0.27 O ATOM 24 CB LEU A 2 -5.151 13.751 -9.981 1.00 0.48 C ATOM 25 CG LEU A 2 -4.566 14.488 -11.176 1.00 0.85 C ATOM 26 CD1 LEU A 2 -3.283 15.201 -10.771 1.00 1.45 C ATOM 27 CD2 LEU A 2 -4.307 13.509 -12.312 1.00 1.32 C ATOM 0 H LEU A 2 -7.710 14.169 -9.039 1.00 0.39 H new ATOM 0 HA LEU A 2 -6.484 12.712 -11.296 1.00 0.36 H new ATOM 0 HB2 LEU A 2 -5.317 14.469 -9.178 1.00 0.48 H new ATOM 0 HB3 LEU A 2 -4.413 13.034 -9.620 1.00 0.48 H new ATOM 0 HG LEU A 2 -5.279 15.236 -11.522 1.00 0.85 H new ATOM 0 HD11 LEU A 2 -2.871 15.726 -11.633 1.00 1.45 H new ATOM 0 HD12 LEU A 2 -3.500 15.918 -9.979 1.00 1.45 H new ATOM 0 HD13 LEU A 2 -2.559 14.470 -10.411 1.00 1.45 H new ATOM 0 HD21 LEU A 2 -3.888 14.044 -13.165 1.00 1.32 H new ATOM 0 HD22 LEU A 2 -3.603 12.745 -11.981 1.00 1.32 H new ATOM 0 HD23 LEU A 2 -5.244 13.036 -12.605 1.00 1.32 H new ATOM 39 N GLN A 3 -6.277 10.630 -9.985 1.00 0.24 N ATOM 40 CA GLN A 3 -6.137 9.396 -9.245 1.00 0.22 C ATOM 41 C GLN A 3 -4.800 8.772 -9.574 1.00 0.22 C ATOM 42 O GLN A 3 -4.411 8.706 -10.741 1.00 0.25 O ATOM 43 CB GLN A 3 -7.233 8.386 -9.590 1.00 0.24 C ATOM 44 CG GLN A 3 -8.642 8.951 -9.687 1.00 0.26 C ATOM 45 CD GLN A 3 -9.707 7.876 -9.491 1.00 0.26 C ATOM 46 OE1 GLN A 3 -9.366 6.633 -9.799 1.00 0.33 O flip ATOM 47 NE2 GLN A 3 -10.818 8.153 -9.047 1.00 0.25 N flip ATOM 0 H GLN A 3 -6.164 10.533 -10.994 1.00 0.24 H new ATOM 0 HA GLN A 3 -6.216 9.639 -8.185 1.00 0.22 H new ATOM 0 HB2 GLN A 3 -6.983 7.917 -10.541 1.00 0.24 H new ATOM 0 HB3 GLN A 3 -7.228 7.599 -8.835 1.00 0.24 H new ATOM 0 HG2 GLN A 3 -8.772 9.730 -8.936 1.00 0.26 H new ATOM 0 HG3 GLN A 3 -8.777 9.421 -10.661 1.00 0.26 H new ATOM 0 HE21 GLN A 3 -11.050 9.120 -8.820 1.00 0.25 H new ATOM 0 HE22 GLN A 3 -11.509 7.416 -8.906 1.00 0.25 H new ATOM 56 N GLU A 4 -4.089 8.334 -8.561 1.00 0.22 N ATOM 57 CA GLU A 4 -2.881 7.570 -8.784 1.00 0.25 C ATOM 58 C GLU A 4 -3.035 6.216 -8.128 1.00 0.23 C ATOM 59 O GLU A 4 -3.336 6.122 -6.937 1.00 0.27 O ATOM 60 CB GLU A 4 -1.654 8.298 -8.246 1.00 0.30 C ATOM 61 CG GLU A 4 -1.662 9.786 -8.549 1.00 0.28 C ATOM 62 CD GLU A 4 -0.276 10.341 -8.819 1.00 0.51 C ATOM 63 OE1 GLU A 4 0.442 10.672 -7.854 1.00 0.75 O ATOM 64 OE2 GLU A 4 0.097 10.459 -10.006 1.00 0.88 O ATOM 0 H GLU A 4 -4.323 8.491 -7.581 1.00 0.22 H new ATOM 0 HA GLU A 4 -2.730 7.444 -9.856 1.00 0.25 H new ATOM 0 HB2 GLU A 4 -1.598 8.154 -7.167 1.00 0.30 H new ATOM 0 HB3 GLU A 4 -0.757 7.851 -8.675 1.00 0.30 H new ATOM 0 HG2 GLU A 4 -2.297 9.972 -9.415 1.00 0.28 H new ATOM 0 HG3 GLU A 4 -2.104 10.320 -7.708 1.00 0.28 H new ATOM 71 N LYS A 5 -2.849 5.172 -8.906 1.00 0.24 N ATOM 72 CA LYS A 5 -3.100 3.833 -8.422 1.00 0.25 C ATOM 73 C LYS A 5 -1.784 3.126 -8.218 1.00 0.25 C ATOM 74 O LYS A 5 -0.994 2.980 -9.150 1.00 0.30 O ATOM 75 CB LYS A 5 -3.969 3.006 -9.382 1.00 0.30 C ATOM 76 CG LYS A 5 -5.139 3.749 -10.029 1.00 0.40 C ATOM 77 CD LYS A 5 -4.706 4.676 -11.160 1.00 0.66 C ATOM 78 CE LYS A 5 -3.867 3.955 -12.207 1.00 1.21 C ATOM 79 NZ LYS A 5 -3.441 4.873 -13.298 1.00 1.43 N ATOM 0 H LYS A 5 -2.526 5.224 -9.872 1.00 0.24 H new ATOM 0 HA LYS A 5 -3.647 3.925 -7.484 1.00 0.25 H new ATOM 0 HB2 LYS A 5 -3.330 2.614 -10.173 1.00 0.30 H new ATOM 0 HB3 LYS A 5 -4.364 2.149 -8.837 1.00 0.30 H new ATOM 0 HG2 LYS A 5 -5.854 3.023 -10.416 1.00 0.40 H new ATOM 0 HG3 LYS A 5 -5.657 4.332 -9.268 1.00 0.40 H new ATOM 0 HD2 LYS A 5 -5.589 5.103 -11.636 1.00 0.66 H new ATOM 0 HD3 LYS A 5 -4.133 5.507 -10.747 1.00 0.66 H new ATOM 0 HE2 LYS A 5 -2.987 3.521 -11.732 1.00 1.21 H new ATOM 0 HE3 LYS A 5 -4.441 3.130 -12.629 1.00 1.21 H new ATOM 0 HZ1 LYS A 5 -2.872 4.347 -13.992 1.00 1.43 H new ATOM 0 HZ2 LYS A 5 -4.281 5.268 -13.767 1.00 1.43 H new ATOM 0 HZ3 LYS A 5 -2.872 5.646 -12.899 1.00 1.43 H new ATOM 93 N LEU A 6 -1.547 2.715 -7.002 1.00 0.23 N ATOM 94 CA LEU A 6 -0.336 2.011 -6.662 1.00 0.25 C ATOM 95 C LEU A 6 -0.695 0.572 -6.336 1.00 0.24 C ATOM 96 O LEU A 6 -1.193 0.269 -5.249 1.00 0.24 O ATOM 97 CB LEU A 6 0.337 2.726 -5.496 1.00 0.26 C ATOM 98 CG LEU A 6 0.402 4.246 -5.674 1.00 0.27 C ATOM 99 CD1 LEU A 6 0.787 4.936 -4.377 1.00 0.32 C ATOM 100 CD2 LEU A 6 1.375 4.610 -6.787 1.00 0.30 C ATOM 0 H LEU A 6 -2.185 2.857 -6.219 1.00 0.23 H new ATOM 0 HA LEU A 6 0.372 2.000 -7.491 1.00 0.25 H new ATOM 0 HB2 LEU A 6 -0.204 2.497 -4.578 1.00 0.26 H new ATOM 0 HB3 LEU A 6 1.348 2.338 -5.375 1.00 0.26 H new ATOM 0 HG LEU A 6 -0.592 4.595 -5.954 1.00 0.27 H new ATOM 0 HD11 LEU A 6 0.825 6.014 -4.536 1.00 0.32 H new ATOM 0 HD12 LEU A 6 0.047 4.708 -3.610 1.00 0.32 H new ATOM 0 HD13 LEU A 6 1.766 4.582 -4.053 1.00 0.32 H new ATOM 0 HD21 LEU A 6 1.409 5.694 -6.900 1.00 0.30 H new ATOM 0 HD22 LEU A 6 2.369 4.240 -6.537 1.00 0.30 H new ATOM 0 HD23 LEU A 6 1.044 4.158 -7.722 1.00 0.30 H new ATOM 112 N TYR A 7 -0.511 -0.291 -7.322 1.00 0.27 N ATOM 113 CA TYR A 7 -0.961 -1.671 -7.239 1.00 0.27 C ATOM 114 C TYR A 7 -0.126 -2.509 -6.290 1.00 0.29 C ATOM 115 O TYR A 7 1.105 -2.458 -6.306 1.00 0.38 O ATOM 116 CB TYR A 7 -0.951 -2.321 -8.623 1.00 0.32 C ATOM 117 CG TYR A 7 -2.225 -2.113 -9.401 1.00 0.35 C ATOM 118 CD1 TYR A 7 -2.420 -0.948 -10.127 1.00 0.47 C ATOM 119 CD2 TYR A 7 -3.227 -3.074 -9.414 1.00 0.36 C ATOM 120 CE1 TYR A 7 -3.576 -0.742 -10.845 1.00 0.57 C ATOM 121 CE2 TYR A 7 -4.390 -2.878 -10.132 1.00 0.46 C ATOM 122 CZ TYR A 7 -4.583 -1.748 -10.819 1.00 0.56 C ATOM 123 OH TYR A 7 -5.716 -1.520 -11.566 1.00 0.69 O ATOM 0 H TYR A 7 -0.047 -0.056 -8.199 1.00 0.27 H new ATOM 0 HA TYR A 7 -1.977 -1.638 -6.845 1.00 0.27 H new ATOM 0 HB2 TYR A 7 -0.116 -1.919 -9.197 1.00 0.32 H new ATOM 0 HB3 TYR A 7 -0.775 -3.391 -8.511 1.00 0.32 H new ATOM 0 HD1 TYR A 7 -1.652 -0.189 -10.129 1.00 0.47 H new ATOM 0 HD2 TYR A 7 -3.095 -3.988 -8.854 1.00 0.36 H new ATOM 0 HE1 TYR A 7 -3.716 0.164 -11.416 1.00 0.57 H new ATOM 0 HE2 TYR A 7 -5.151 -3.645 -10.138 1.00 0.46 H new ATOM 0 HH TYR A 7 -6.330 -2.278 -11.469 1.00 0.69 H new ATOM 133 N VAL A 8 -0.821 -3.282 -5.470 1.00 0.24 N ATOM 134 CA VAL A 8 -0.197 -4.315 -4.670 1.00 0.26 C ATOM 135 C VAL A 8 -0.964 -5.603 -4.882 1.00 0.26 C ATOM 136 O VAL A 8 -2.111 -5.726 -4.472 1.00 0.26 O ATOM 137 CB VAL A 8 -0.199 -3.958 -3.169 1.00 0.36 C ATOM 138 CG1 VAL A 8 0.905 -2.964 -2.846 1.00 1.12 C ATOM 139 CG2 VAL A 8 -1.563 -3.408 -2.761 1.00 1.27 C ATOM 0 H VAL A 8 -1.830 -3.208 -5.343 1.00 0.24 H new ATOM 0 HA VAL A 8 0.843 -4.419 -4.980 1.00 0.26 H new ATOM 0 HB VAL A 8 -0.006 -4.866 -2.597 1.00 0.36 H new ATOM 0 HG11 VAL A 8 0.883 -2.728 -1.782 1.00 1.12 H new ATOM 0 HG12 VAL A 8 1.872 -3.398 -3.101 1.00 1.12 H new ATOM 0 HG13 VAL A 8 0.753 -2.052 -3.423 1.00 1.12 H new ATOM 0 HG21 VAL A 8 -1.553 -3.160 -1.700 1.00 1.27 H new ATOM 0 HG22 VAL A 8 -1.782 -2.512 -3.341 1.00 1.27 H new ATOM 0 HG23 VAL A 8 -2.330 -4.159 -2.950 1.00 1.27 H new ATOM 149 N PRO A 9 -0.356 -6.593 -5.518 1.00 0.32 N ATOM 150 CA PRO A 9 -1.073 -7.800 -5.870 1.00 0.37 C ATOM 151 C PRO A 9 -1.364 -8.646 -4.636 1.00 0.34 C ATOM 152 O PRO A 9 -0.550 -9.468 -4.212 1.00 0.35 O ATOM 153 CB PRO A 9 -0.129 -8.507 -6.834 1.00 0.44 C ATOM 154 CG PRO A 9 1.232 -8.039 -6.452 1.00 0.43 C ATOM 155 CD PRO A 9 1.061 -6.634 -5.925 1.00 0.39 C ATOM 0 HA PRO A 9 -2.049 -7.604 -6.314 1.00 0.37 H new ATOM 0 HB2 PRO A 9 -0.213 -9.590 -6.746 1.00 0.44 H new ATOM 0 HB3 PRO A 9 -0.358 -8.253 -7.869 1.00 0.44 H new ATOM 0 HG2 PRO A 9 1.669 -8.689 -5.694 1.00 0.43 H new ATOM 0 HG3 PRO A 9 1.904 -8.054 -7.310 1.00 0.43 H new ATOM 0 HD2 PRO A 9 1.727 -6.436 -5.085 1.00 0.39 H new ATOM 0 HD3 PRO A 9 1.282 -5.888 -6.689 1.00 0.39 H new ATOM 163 N VAL A 10 -2.520 -8.405 -4.039 1.00 0.34 N ATOM 164 CA VAL A 10 -2.925 -9.114 -2.835 1.00 0.36 C ATOM 165 C VAL A 10 -3.142 -10.588 -3.155 1.00 0.43 C ATOM 166 O VAL A 10 -3.130 -11.447 -2.276 1.00 0.47 O ATOM 167 CB VAL A 10 -4.202 -8.496 -2.230 1.00 0.42 C ATOM 168 CG1 VAL A 10 -5.440 -8.883 -3.019 1.00 0.51 C ATOM 169 CG2 VAL A 10 -4.352 -8.859 -0.758 1.00 0.52 C ATOM 0 H VAL A 10 -3.198 -7.719 -4.371 1.00 0.34 H new ATOM 0 HA VAL A 10 -2.131 -9.023 -2.094 1.00 0.36 H new ATOM 0 HB VAL A 10 -4.098 -7.413 -2.296 1.00 0.42 H new ATOM 0 HG11 VAL A 10 -6.319 -8.429 -2.562 1.00 0.51 H new ATOM 0 HG12 VAL A 10 -5.342 -8.531 -4.046 1.00 0.51 H new ATOM 0 HG13 VAL A 10 -5.549 -9.968 -3.016 1.00 0.51 H new ATOM 0 HG21 VAL A 10 -5.262 -8.407 -0.363 1.00 0.52 H new ATOM 0 HG22 VAL A 10 -4.410 -9.943 -0.655 1.00 0.52 H new ATOM 0 HG23 VAL A 10 -3.491 -8.487 -0.202 1.00 0.52 H new ATOM 179 N LYS A 11 -3.345 -10.860 -4.437 1.00 0.49 N ATOM 180 CA LYS A 11 -3.425 -12.226 -4.936 1.00 0.58 C ATOM 181 C LYS A 11 -2.060 -12.895 -4.845 1.00 0.53 C ATOM 182 O LYS A 11 -1.953 -14.108 -4.657 1.00 0.60 O ATOM 183 CB LYS A 11 -3.906 -12.249 -6.387 1.00 0.72 C ATOM 184 CG LYS A 11 -5.281 -11.651 -6.592 1.00 1.27 C ATOM 185 CD LYS A 11 -5.787 -11.925 -7.996 1.00 1.76 C ATOM 186 CE LYS A 11 -5.941 -13.418 -8.249 1.00 2.24 C ATOM 187 NZ LYS A 11 -6.582 -13.707 -9.558 1.00 2.93 N ATOM 0 H LYS A 11 -3.458 -10.145 -5.156 1.00 0.49 H new ATOM 0 HA LYS A 11 -4.142 -12.770 -4.321 1.00 0.58 H new ATOM 0 HB2 LYS A 11 -3.190 -11.707 -7.004 1.00 0.72 H new ATOM 0 HB3 LYS A 11 -3.914 -13.280 -6.740 1.00 0.72 H new ATOM 0 HG2 LYS A 11 -5.976 -12.068 -5.863 1.00 1.27 H new ATOM 0 HG3 LYS A 11 -5.244 -10.576 -6.418 1.00 1.27 H new ATOM 0 HD2 LYS A 11 -6.746 -11.429 -8.142 1.00 1.76 H new ATOM 0 HD3 LYS A 11 -5.095 -11.501 -8.723 1.00 1.76 H new ATOM 0 HE2 LYS A 11 -4.960 -13.893 -8.215 1.00 2.24 H new ATOM 0 HE3 LYS A 11 -6.537 -13.860 -7.450 1.00 2.24 H new ATOM 0 HZ1 LYS A 11 -6.665 -14.736 -9.684 1.00 2.93 H new ATOM 0 HZ2 LYS A 11 -7.529 -13.278 -9.583 1.00 2.93 H new ATOM 0 HZ3 LYS A 11 -6.001 -13.310 -10.324 1.00 2.93 H new ATOM 201 N GLU A 12 -1.019 -12.082 -4.978 1.00 0.45 N ATOM 202 CA GLU A 12 0.354 -12.552 -4.898 1.00 0.44 C ATOM 203 C GLU A 12 0.757 -12.788 -3.454 1.00 0.39 C ATOM 204 O GLU A 12 1.611 -13.627 -3.162 1.00 0.43 O ATOM 205 CB GLU A 12 1.294 -11.546 -5.547 1.00 0.46 C ATOM 206 CG GLU A 12 1.146 -11.477 -7.059 1.00 0.60 C ATOM 207 CD GLU A 12 1.370 -12.815 -7.732 1.00 0.77 C ATOM 208 OE1 GLU A 12 2.540 -13.214 -7.908 1.00 0.97 O ATOM 209 OE2 GLU A 12 0.376 -13.475 -8.091 1.00 0.96 O ATOM 0 H GLU A 12 -1.105 -11.079 -5.144 1.00 0.45 H new ATOM 0 HA GLU A 12 0.424 -13.498 -5.435 1.00 0.44 H new ATOM 0 HB2 GLU A 12 1.107 -10.559 -5.125 1.00 0.46 H new ATOM 0 HB3 GLU A 12 2.323 -11.808 -5.301 1.00 0.46 H new ATOM 0 HG2 GLU A 12 0.148 -11.114 -7.306 1.00 0.60 H new ATOM 0 HG3 GLU A 12 1.856 -10.752 -7.456 1.00 0.60 H new ATOM 216 N TYR A 13 0.133 -12.044 -2.553 1.00 0.34 N ATOM 217 CA TYR A 13 0.421 -12.160 -1.133 1.00 0.35 C ATOM 218 C TYR A 13 -0.835 -12.556 -0.367 1.00 0.39 C ATOM 219 O TYR A 13 -1.539 -11.707 0.176 1.00 0.40 O ATOM 220 CB TYR A 13 0.980 -10.839 -0.600 1.00 0.34 C ATOM 221 CG TYR A 13 2.172 -10.351 -1.385 1.00 0.35 C ATOM 222 CD1 TYR A 13 2.014 -9.517 -2.479 1.00 0.34 C ATOM 223 CD2 TYR A 13 3.457 -10.711 -1.011 1.00 0.44 C ATOM 224 CE1 TYR A 13 3.107 -9.064 -3.189 1.00 0.40 C ATOM 225 CE2 TYR A 13 4.554 -10.264 -1.712 1.00 0.48 C ATOM 226 CZ TYR A 13 4.350 -9.471 -2.858 1.00 0.46 C ATOM 227 OH TYR A 13 5.468 -8.994 -3.505 1.00 0.53 O ATOM 0 H TYR A 13 -0.579 -11.351 -2.783 1.00 0.34 H new ATOM 0 HA TYR A 13 1.170 -12.939 -0.990 1.00 0.35 H new ATOM 0 HB2 TYR A 13 0.197 -10.081 -0.627 1.00 0.34 H new ATOM 0 HB3 TYR A 13 1.265 -10.965 0.444 1.00 0.34 H new ATOM 0 HD1 TYR A 13 1.021 -9.217 -2.781 1.00 0.34 H new ATOM 0 HD2 TYR A 13 3.600 -11.353 -0.155 1.00 0.44 H new ATOM 0 HE1 TYR A 13 2.967 -8.381 -4.013 1.00 0.40 H new ATOM 0 HE2 TYR A 13 5.553 -10.517 -1.389 1.00 0.48 H new ATOM 0 HH TYR A 13 6.269 -9.407 -3.121 1.00 0.53 H new ATOM 237 N PRO A 14 -1.143 -13.861 -0.336 1.00 0.47 N ATOM 238 CA PRO A 14 -2.344 -14.377 0.320 1.00 0.55 C ATOM 239 C PRO A 14 -2.264 -14.258 1.836 1.00 0.59 C ATOM 240 O PRO A 14 -3.284 -14.279 2.525 1.00 0.68 O ATOM 241 CB PRO A 14 -2.389 -15.855 -0.094 1.00 0.64 C ATOM 242 CG PRO A 14 -1.381 -15.997 -1.183 1.00 0.75 C ATOM 243 CD PRO A 14 -0.349 -14.940 -0.930 1.00 0.52 C ATOM 0 HA PRO A 14 -3.233 -13.818 0.028 1.00 0.55 H new ATOM 0 HB2 PRO A 14 -2.151 -16.505 0.748 1.00 0.64 H new ATOM 0 HB3 PRO A 14 -3.384 -16.135 -0.441 1.00 0.64 H new ATOM 0 HG2 PRO A 14 -0.933 -16.991 -1.173 1.00 0.75 H new ATOM 0 HG3 PRO A 14 -1.843 -15.866 -2.162 1.00 0.75 H new ATOM 0 HD2 PRO A 14 0.432 -15.289 -0.255 1.00 0.52 H new ATOM 0 HD3 PRO A 14 0.143 -14.624 -1.850 1.00 0.52 H new ATOM 251 N ASP A 15 -1.050 -14.139 2.354 1.00 0.57 N ATOM 252 CA ASP A 15 -0.848 -14.069 3.792 1.00 0.67 C ATOM 253 C ASP A 15 -0.650 -12.631 4.249 1.00 0.62 C ATOM 254 O ASP A 15 -0.732 -12.334 5.442 1.00 0.76 O ATOM 255 CB ASP A 15 0.364 -14.904 4.198 1.00 0.78 C ATOM 256 CG ASP A 15 1.675 -14.292 3.744 1.00 1.64 C ATOM 257 OD1 ASP A 15 1.878 -14.168 2.516 1.00 2.43 O ATOM 258 OD2 ASP A 15 2.508 -13.947 4.608 1.00 2.15 O ATOM 0 H ASP A 15 -0.194 -14.089 1.802 1.00 0.57 H new ATOM 0 HA ASP A 15 -1.741 -14.467 4.273 1.00 0.67 H new ATOM 0 HB2 ASP A 15 0.376 -15.016 5.282 1.00 0.78 H new ATOM 0 HB3 ASP A 15 0.269 -15.904 3.775 1.00 0.78 H new ATOM 263 N PHE A 16 -0.415 -11.736 3.304 1.00 0.48 N ATOM 264 CA PHE A 16 -0.244 -10.331 3.631 1.00 0.43 C ATOM 265 C PHE A 16 -1.429 -9.523 3.135 1.00 0.37 C ATOM 266 O PHE A 16 -1.595 -9.296 1.939 1.00 0.36 O ATOM 267 CB PHE A 16 1.043 -9.763 3.045 1.00 0.41 C ATOM 268 CG PHE A 16 1.452 -8.483 3.715 1.00 0.40 C ATOM 269 CD1 PHE A 16 2.206 -8.510 4.875 1.00 0.52 C ATOM 270 CD2 PHE A 16 1.075 -7.259 3.195 1.00 0.34 C ATOM 271 CE1 PHE A 16 2.576 -7.339 5.506 1.00 0.56 C ATOM 272 CE2 PHE A 16 1.445 -6.086 3.815 1.00 0.36 C ATOM 273 CZ PHE A 16 2.197 -6.125 4.973 1.00 0.49 C ATOM 0 H PHE A 16 -0.339 -11.955 2.311 1.00 0.48 H new ATOM 0 HA PHE A 16 -0.181 -10.259 4.717 1.00 0.43 H new ATOM 0 HB2 PHE A 16 1.842 -10.497 3.148 1.00 0.41 H new ATOM 0 HB3 PHE A 16 0.908 -9.586 1.978 1.00 0.41 H new ATOM 0 HD1 PHE A 16 2.509 -9.459 5.292 1.00 0.52 H new ATOM 0 HD2 PHE A 16 0.483 -7.222 2.292 1.00 0.34 H new ATOM 0 HE1 PHE A 16 3.160 -7.374 6.414 1.00 0.56 H new ATOM 0 HE2 PHE A 16 1.147 -5.136 3.396 1.00 0.36 H new ATOM 0 HZ PHE A 16 2.488 -5.206 5.460 1.00 0.49 H new ATOM 283 N ASN A 17 -2.247 -9.085 4.068 1.00 0.37 N ATOM 284 CA ASN A 17 -3.416 -8.294 3.736 1.00 0.35 C ATOM 285 C ASN A 17 -3.059 -6.809 3.640 1.00 0.30 C ATOM 286 O ASN A 17 -2.921 -6.122 4.637 1.00 0.30 O ATOM 287 CB ASN A 17 -4.539 -8.552 4.761 1.00 0.45 C ATOM 288 CG ASN A 17 -4.267 -8.061 6.190 1.00 0.74 C ATOM 289 OD1 ASN A 17 -3.005 -7.848 6.559 1.00 1.29 O flip ATOM 290 ND2 ASN A 17 -5.202 -7.858 6.954 1.00 0.71 N flip ATOM 0 H ASN A 17 -2.125 -9.263 5.065 1.00 0.37 H new ATOM 0 HA ASN A 17 -3.783 -8.598 2.756 1.00 0.35 H new ATOM 0 HB2 ASN A 17 -5.450 -8.075 4.401 1.00 0.45 H new ATOM 0 HB3 ASN A 17 -4.733 -9.624 4.796 1.00 0.45 H new ATOM 0 HD21 ASN A 17 -6.159 -8.029 6.646 1.00 0.71 H new ATOM 0 HD22 ASN A 17 -5.024 -7.517 7.899 1.00 0.71 H new ATOM 297 N PHE A 18 -2.872 -6.312 2.426 1.00 0.28 N ATOM 298 CA PHE A 18 -2.474 -4.920 2.245 1.00 0.26 C ATOM 299 C PHE A 18 -3.467 -3.939 2.867 1.00 0.27 C ATOM 300 O PHE A 18 -3.066 -2.905 3.372 1.00 0.27 O ATOM 301 CB PHE A 18 -2.235 -4.610 0.773 1.00 0.24 C ATOM 302 CG PHE A 18 -1.036 -5.335 0.248 1.00 0.23 C ATOM 303 CD1 PHE A 18 0.246 -5.054 0.703 1.00 0.24 C ATOM 304 CD2 PHE A 18 -1.202 -6.294 -0.727 1.00 0.23 C ATOM 305 CE1 PHE A 18 1.338 -5.726 0.180 1.00 0.26 C ATOM 306 CE2 PHE A 18 -0.125 -6.965 -1.249 1.00 0.25 C ATOM 307 CZ PHE A 18 1.219 -6.669 -0.650 1.00 0.25 C ATOM 0 H PHE A 18 -2.987 -6.841 1.562 1.00 0.28 H new ATOM 0 HA PHE A 18 -1.534 -4.787 2.780 1.00 0.26 H new ATOM 0 HB2 PHE A 18 -3.114 -4.891 0.193 1.00 0.24 H new ATOM 0 HB3 PHE A 18 -2.098 -3.536 0.644 1.00 0.24 H new ATOM 0 HD1 PHE A 18 0.392 -4.307 1.469 1.00 0.24 H new ATOM 0 HD2 PHE A 18 -2.195 -6.521 -1.086 1.00 0.23 H new ATOM 0 HE1 PHE A 18 2.329 -5.432 0.494 1.00 0.26 H new ATOM 0 HE2 PHE A 18 -0.239 -7.675 -2.055 1.00 0.25 H new ATOM 0 HZ PHE A 18 2.079 -7.260 -0.928 1.00 0.25 H new ATOM 317 N VAL A 19 -4.750 -4.261 2.858 1.00 0.31 N ATOM 318 CA VAL A 19 -5.730 -3.448 3.558 1.00 0.32 C ATOM 319 C VAL A 19 -5.555 -3.551 5.067 1.00 0.29 C ATOM 320 O VAL A 19 -5.447 -2.536 5.745 1.00 0.27 O ATOM 321 CB VAL A 19 -7.165 -3.824 3.158 1.00 0.41 C ATOM 322 CG1 VAL A 19 -7.516 -3.201 1.820 1.00 1.34 C ATOM 323 CG2 VAL A 19 -7.334 -5.337 3.103 1.00 1.13 C ATOM 0 H VAL A 19 -5.135 -5.074 2.377 1.00 0.31 H new ATOM 0 HA VAL A 19 -5.558 -2.413 3.262 1.00 0.32 H new ATOM 0 HB VAL A 19 -7.846 -3.435 3.915 1.00 0.41 H new ATOM 0 HG11 VAL A 19 -8.535 -3.475 1.547 1.00 1.34 H new ATOM 0 HG12 VAL A 19 -7.439 -2.116 1.892 1.00 1.34 H new ATOM 0 HG13 VAL A 19 -6.827 -3.564 1.058 1.00 1.34 H new ATOM 0 HG21 VAL A 19 -8.358 -5.579 2.818 1.00 1.13 H new ATOM 0 HG22 VAL A 19 -6.645 -5.754 2.369 1.00 1.13 H new ATOM 0 HG23 VAL A 19 -7.120 -5.763 4.083 1.00 1.13 H new ATOM 333 N GLY A 20 -5.480 -4.768 5.583 1.00 0.33 N ATOM 334 CA GLY A 20 -5.224 -4.956 7.001 1.00 0.35 C ATOM 335 C GLY A 20 -3.860 -4.430 7.405 1.00 0.32 C ATOM 336 O GLY A 20 -3.544 -4.340 8.584 1.00 0.38 O ATOM 0 H GLY A 20 -5.591 -5.630 5.049 1.00 0.33 H new ATOM 0 HA2 GLY A 20 -5.995 -4.447 7.580 1.00 0.35 H new ATOM 0 HA3 GLY A 20 -5.291 -6.016 7.244 1.00 0.35 H new ATOM 340 N ARG A 21 -3.045 -4.126 6.410 1.00 0.29 N ATOM 341 CA ARG A 21 -1.761 -3.484 6.616 1.00 0.32 C ATOM 342 C ARG A 21 -1.905 -1.963 6.570 1.00 0.31 C ATOM 343 O ARG A 21 -1.370 -1.253 7.426 1.00 0.39 O ATOM 344 CB ARG A 21 -0.771 -3.961 5.541 1.00 0.33 C ATOM 345 CG ARG A 21 0.218 -2.897 5.069 1.00 0.56 C ATOM 346 CD ARG A 21 1.451 -2.809 5.953 1.00 0.52 C ATOM 347 NE ARG A 21 1.124 -2.699 7.376 1.00 1.51 N ATOM 348 CZ ARG A 21 1.769 -3.349 8.346 1.00 2.26 C ATOM 349 NH1 ARG A 21 2.773 -4.170 8.049 1.00 2.34 N ATOM 350 NH2 ARG A 21 1.406 -3.187 9.613 1.00 3.20 N ATOM 0 H ARG A 21 -3.258 -4.319 5.431 1.00 0.29 H new ATOM 0 HA ARG A 21 -1.382 -3.758 7.601 1.00 0.32 H new ATOM 0 HB2 ARG A 21 -0.211 -4.810 5.933 1.00 0.33 H new ATOM 0 HB3 ARG A 21 -1.335 -4.321 4.681 1.00 0.33 H new ATOM 0 HG2 ARG A 21 0.524 -3.119 4.047 1.00 0.56 H new ATOM 0 HG3 ARG A 21 -0.280 -1.927 5.049 1.00 0.56 H new ATOM 0 HD2 ARG A 21 2.069 -3.692 5.795 1.00 0.52 H new ATOM 0 HD3 ARG A 21 2.046 -1.946 5.654 1.00 0.52 H new ATOM 0 HE ARG A 21 0.354 -2.086 7.643 1.00 1.51 H new ATOM 0 HH11 ARG A 21 3.052 -4.304 7.077 1.00 2.34 H new ATOM 0 HH12 ARG A 21 3.264 -4.665 8.793 1.00 2.34 H new ATOM 0 HH21 ARG A 21 0.632 -2.564 9.846 1.00 3.20 H new ATOM 0 HH22 ARG A 21 1.901 -3.685 10.353 1.00 3.20 H new ATOM 364 N ILE A 22 -2.640 -1.476 5.579 1.00 0.27 N ATOM 365 CA ILE A 22 -2.746 -0.047 5.334 1.00 0.31 C ATOM 366 C ILE A 22 -3.758 0.610 6.260 1.00 0.28 C ATOM 367 O ILE A 22 -3.432 1.567 6.956 1.00 0.32 O ATOM 368 CB ILE A 22 -3.139 0.228 3.863 1.00 0.40 C ATOM 369 CG1 ILE A 22 -2.006 -0.183 2.912 1.00 0.51 C ATOM 370 CG2 ILE A 22 -3.516 1.685 3.654 1.00 0.52 C ATOM 371 CD1 ILE A 22 -0.646 0.353 3.302 1.00 0.99 C ATOM 0 H ILE A 22 -3.173 -2.054 4.930 1.00 0.27 H new ATOM 0 HA ILE A 22 -1.766 0.385 5.535 1.00 0.31 H new ATOM 0 HB ILE A 22 -4.016 -0.377 3.635 1.00 0.40 H new ATOM 0 HG12 ILE A 22 -1.957 -1.271 2.871 1.00 0.51 H new ATOM 0 HG13 ILE A 22 -2.246 0.163 1.907 1.00 0.51 H new ATOM 0 HG21 ILE A 22 -3.787 1.845 2.610 1.00 0.52 H new ATOM 0 HG22 ILE A 22 -4.364 1.937 4.291 1.00 0.52 H new ATOM 0 HG23 ILE A 22 -2.668 2.321 3.910 1.00 0.52 H new ATOM 0 HD11 ILE A 22 0.098 0.017 2.580 1.00 0.99 H new ATOM 0 HD12 ILE A 22 -0.674 1.443 3.314 1.00 0.99 H new ATOM 0 HD13 ILE A 22 -0.381 -0.014 4.293 1.00 0.99 H new ATOM 383 N LEU A 23 -4.980 0.097 6.282 1.00 0.30 N ATOM 384 CA LEU A 23 -5.991 0.654 7.159 1.00 0.35 C ATOM 385 C LEU A 23 -6.200 -0.207 8.399 1.00 0.37 C ATOM 386 O LEU A 23 -6.810 0.247 9.364 1.00 0.47 O ATOM 387 CB LEU A 23 -7.329 0.983 6.437 1.00 0.59 C ATOM 388 CG LEU A 23 -7.959 -0.064 5.493 1.00 0.68 C ATOM 389 CD1 LEU A 23 -7.112 -0.273 4.249 1.00 1.69 C ATOM 390 CD2 LEU A 23 -8.210 -1.381 6.205 1.00 1.15 C ATOM 0 H LEU A 23 -5.289 -0.690 5.712 1.00 0.30 H new ATOM 0 HA LEU A 23 -5.600 1.615 7.492 1.00 0.35 H new ATOM 0 HB2 LEU A 23 -8.066 1.216 7.205 1.00 0.59 H new ATOM 0 HB3 LEU A 23 -7.173 1.893 5.858 1.00 0.59 H new ATOM 0 HG LEU A 23 -8.925 0.331 5.177 1.00 0.68 H new ATOM 0 HD11 LEU A 23 -7.585 -1.016 3.607 1.00 1.69 H new ATOM 0 HD12 LEU A 23 -7.022 0.669 3.708 1.00 1.69 H new ATOM 0 HD13 LEU A 23 -6.121 -0.622 4.538 1.00 1.69 H new ATOM 0 HD21 LEU A 23 -8.654 -2.092 5.508 1.00 1.15 H new ATOM 0 HD22 LEU A 23 -7.266 -1.779 6.578 1.00 1.15 H new ATOM 0 HD23 LEU A 23 -8.891 -1.219 7.041 1.00 1.15 H new ATOM 402 N GLY A 24 -5.661 -1.434 8.379 1.00 0.35 N ATOM 403 CA GLY A 24 -5.808 -2.340 9.506 1.00 0.45 C ATOM 404 C GLY A 24 -5.423 -1.703 10.835 1.00 0.56 C ATOM 405 O GLY A 24 -6.295 -1.315 11.612 1.00 0.70 O ATOM 0 H GLY A 24 -5.125 -1.812 7.598 1.00 0.35 H new ATOM 0 HA2 GLY A 24 -6.842 -2.681 9.559 1.00 0.45 H new ATOM 0 HA3 GLY A 24 -5.190 -3.222 9.339 1.00 0.45 H new ATOM 409 N PRO A 25 -4.123 -1.596 11.139 1.00 0.59 N ATOM 410 CA PRO A 25 -3.645 -0.912 12.324 1.00 0.74 C ATOM 411 C PRO A 25 -3.287 0.543 12.038 1.00 0.75 C ATOM 412 O PRO A 25 -3.118 1.346 12.954 1.00 0.90 O ATOM 413 CB PRO A 25 -2.390 -1.711 12.700 1.00 0.85 C ATOM 414 CG PRO A 25 -2.021 -2.519 11.486 1.00 0.77 C ATOM 415 CD PRO A 25 -3.004 -2.172 10.395 1.00 0.57 C ATOM 0 HA PRO A 25 -4.396 -0.872 13.113 1.00 0.74 H new ATOM 0 HB2 PRO A 25 -1.576 -1.044 12.985 1.00 0.85 H new ATOM 0 HB3 PRO A 25 -2.584 -2.360 13.554 1.00 0.85 H new ATOM 0 HG2 PRO A 25 -1.002 -2.293 11.170 1.00 0.77 H new ATOM 0 HG3 PRO A 25 -2.057 -3.585 11.710 1.00 0.77 H new ATOM 0 HD2 PRO A 25 -2.584 -1.462 9.683 1.00 0.57 H new ATOM 0 HD3 PRO A 25 -3.306 -3.052 9.827 1.00 0.57 H new ATOM 423 N ARG A 26 -3.162 0.873 10.756 1.00 0.64 N ATOM 424 CA ARG A 26 -2.670 2.180 10.348 1.00 0.71 C ATOM 425 C ARG A 26 -3.747 2.992 9.635 1.00 0.59 C ATOM 426 O ARG A 26 -3.434 3.987 8.988 1.00 0.63 O ATOM 427 CB ARG A 26 -1.457 2.032 9.419 1.00 0.88 C ATOM 428 CG ARG A 26 -0.346 1.144 9.964 1.00 1.34 C ATOM 429 CD ARG A 26 0.107 1.583 11.345 1.00 1.33 C ATOM 430 NE ARG A 26 0.479 2.995 11.389 1.00 1.92 N ATOM 431 CZ ARG A 26 0.848 3.626 12.501 1.00 2.49 C ATOM 432 NH1 ARG A 26 0.956 2.957 13.642 1.00 2.67 N ATOM 433 NH2 ARG A 26 1.126 4.921 12.473 1.00 3.43 N ATOM 0 H ARG A 26 -3.396 0.251 9.982 1.00 0.64 H new ATOM 0 HA ARG A 26 -2.379 2.710 11.255 1.00 0.71 H new ATOM 0 HB2 ARG A 26 -1.794 1.626 8.465 1.00 0.88 H new ATOM 0 HB3 ARG A 26 -1.047 3.022 9.217 1.00 0.88 H new ATOM 0 HG2 ARG A 26 -0.695 0.112 10.008 1.00 1.34 H new ATOM 0 HG3 ARG A 26 0.503 1.165 9.280 1.00 1.34 H new ATOM 0 HD2 ARG A 26 -0.693 1.399 12.062 1.00 1.33 H new ATOM 0 HD3 ARG A 26 0.958 0.977 11.655 1.00 1.33 H new ATOM 0 HE ARG A 26 0.455 3.527 10.519 1.00 1.92 H new ATOM 0 HH11 ARG A 26 0.756 1.957 13.668 1.00 2.67 H new ATOM 0 HH12 ARG A 26 1.239 3.443 14.493 1.00 2.67 H new ATOM 0 HH21 ARG A 26 1.058 5.438 11.597 1.00 3.43 H new ATOM 0 HH22 ARG A 26 1.408 5.401 13.328 1.00 3.43 H new ATOM 447 N GLY A 27 -5.011 2.582 9.768 1.00 0.54 N ATOM 448 CA GLY A 27 -6.109 3.267 9.086 1.00 0.56 C ATOM 449 C GLY A 27 -6.104 4.769 9.286 1.00 0.58 C ATOM 450 O GLY A 27 -6.548 5.525 8.417 1.00 0.56 O ATOM 0 H GLY A 27 -5.297 1.785 10.337 1.00 0.54 H new ATOM 0 HA2 GLY A 27 -6.054 3.051 8.019 1.00 0.56 H new ATOM 0 HA3 GLY A 27 -7.056 2.864 9.445 1.00 0.56 H new ATOM 454 N LEU A 28 -5.580 5.196 10.425 1.00 0.64 N ATOM 455 CA LEU A 28 -5.483 6.610 10.752 1.00 0.68 C ATOM 456 C LEU A 28 -4.749 7.385 9.657 1.00 0.58 C ATOM 457 O LEU A 28 -5.133 8.506 9.336 1.00 0.55 O ATOM 458 CB LEU A 28 -4.768 6.799 12.091 1.00 0.82 C ATOM 459 CG LEU A 28 -5.474 6.181 13.300 1.00 1.46 C ATOM 460 CD1 LEU A 28 -4.651 6.389 14.562 1.00 1.96 C ATOM 461 CD2 LEU A 28 -6.865 6.776 13.466 1.00 2.25 C ATOM 0 H LEU A 28 -5.212 4.575 11.146 1.00 0.64 H new ATOM 0 HA LEU A 28 -6.497 7.003 10.827 1.00 0.68 H new ATOM 0 HB2 LEU A 28 -3.769 6.369 12.015 1.00 0.82 H new ATOM 0 HB3 LEU A 28 -4.643 7.867 12.270 1.00 0.82 H new ATOM 0 HG LEU A 28 -5.576 5.109 13.129 1.00 1.46 H new ATOM 0 HD11 LEU A 28 -5.168 5.943 15.411 1.00 1.96 H new ATOM 0 HD12 LEU A 28 -3.676 5.917 14.442 1.00 1.96 H new ATOM 0 HD13 LEU A 28 -4.518 7.456 14.738 1.00 1.96 H new ATOM 0 HD21 LEU A 28 -7.353 6.325 14.330 1.00 2.25 H new ATOM 0 HD22 LEU A 28 -6.785 7.853 13.615 1.00 2.25 H new ATOM 0 HD23 LEU A 28 -7.455 6.577 12.571 1.00 2.25 H new ATOM 473 N THR A 29 -3.721 6.774 9.064 1.00 0.56 N ATOM 474 CA THR A 29 -2.897 7.457 8.070 1.00 0.52 C ATOM 475 C THR A 29 -3.698 7.778 6.811 1.00 0.42 C ATOM 476 O THR A 29 -3.478 8.811 6.179 1.00 0.41 O ATOM 477 CB THR A 29 -1.624 6.652 7.701 1.00 0.58 C ATOM 478 OG1 THR A 29 -0.685 7.500 7.024 1.00 0.92 O ATOM 479 CG2 THR A 29 -1.942 5.453 6.813 1.00 0.48 C ATOM 0 H THR A 29 -3.442 5.812 9.255 1.00 0.56 H new ATOM 0 HA THR A 29 -2.575 8.391 8.530 1.00 0.52 H new ATOM 0 HB THR A 29 -1.196 6.282 8.633 1.00 0.58 H new ATOM 0 HG1 THR A 29 0.116 6.984 6.796 1.00 0.92 H new ATOM 0 HG21 THR A 29 -1.021 4.919 6.580 1.00 0.48 H new ATOM 0 HG22 THR A 29 -2.627 4.785 7.335 1.00 0.48 H new ATOM 0 HG23 THR A 29 -2.406 5.798 5.889 1.00 0.48 H new ATOM 487 N ALA A 30 -4.630 6.900 6.455 1.00 0.39 N ATOM 488 CA ALA A 30 -5.477 7.128 5.295 1.00 0.34 C ATOM 489 C ALA A 30 -6.398 8.308 5.560 1.00 0.32 C ATOM 490 O ALA A 30 -6.567 9.189 4.720 1.00 0.28 O ATOM 491 CB ALA A 30 -6.284 5.879 4.967 1.00 0.38 C ATOM 0 H ALA A 30 -4.816 6.029 6.952 1.00 0.39 H new ATOM 0 HA ALA A 30 -4.848 7.356 4.435 1.00 0.34 H new ATOM 0 HB1 ALA A 30 -6.911 6.069 4.096 1.00 0.38 H new ATOM 0 HB2 ALA A 30 -5.605 5.054 4.752 1.00 0.38 H new ATOM 0 HB3 ALA A 30 -6.914 5.619 5.818 1.00 0.38 H new ATOM 497 N LYS A 31 -6.956 8.329 6.762 1.00 0.38 N ATOM 498 CA LYS A 31 -7.868 9.384 7.165 1.00 0.41 C ATOM 499 C LYS A 31 -7.129 10.714 7.308 1.00 0.38 C ATOM 500 O LYS A 31 -7.681 11.772 7.022 1.00 0.39 O ATOM 501 CB LYS A 31 -8.551 9.005 8.480 1.00 0.49 C ATOM 502 CG LYS A 31 -9.701 9.921 8.870 1.00 1.16 C ATOM 503 CD LYS A 31 -10.520 9.334 10.011 1.00 1.63 C ATOM 504 CE LYS A 31 -9.741 9.305 11.317 1.00 2.36 C ATOM 505 NZ LYS A 31 -9.666 10.648 11.950 1.00 3.09 N ATOM 0 H LYS A 31 -6.790 7.621 7.478 1.00 0.38 H new ATOM 0 HA LYS A 31 -8.628 9.503 6.393 1.00 0.41 H new ATOM 0 HB2 LYS A 31 -8.925 7.984 8.402 1.00 0.49 H new ATOM 0 HB3 LYS A 31 -7.808 9.012 9.278 1.00 0.49 H new ATOM 0 HG2 LYS A 31 -9.308 10.894 9.166 1.00 1.16 H new ATOM 0 HG3 LYS A 31 -10.345 10.086 8.006 1.00 1.16 H new ATOM 0 HD2 LYS A 31 -11.429 9.921 10.144 1.00 1.63 H new ATOM 0 HD3 LYS A 31 -10.830 8.322 9.751 1.00 1.63 H new ATOM 0 HE2 LYS A 31 -10.214 8.605 12.006 1.00 2.36 H new ATOM 0 HE3 LYS A 31 -8.733 8.936 11.130 1.00 2.36 H new ATOM 0 HZ1 LYS A 31 -9.127 10.584 12.837 1.00 3.09 H new ATOM 0 HZ2 LYS A 31 -9.192 11.310 11.304 1.00 3.09 H new ATOM 0 HZ3 LYS A 31 -10.627 10.990 12.153 1.00 3.09 H new ATOM 519 N GLN A 32 -5.876 10.659 7.754 1.00 0.38 N ATOM 520 CA GLN A 32 -5.061 11.867 7.866 1.00 0.40 C ATOM 521 C GLN A 32 -4.773 12.437 6.493 1.00 0.32 C ATOM 522 O GLN A 32 -4.730 13.649 6.305 1.00 0.33 O ATOM 523 CB GLN A 32 -3.735 11.586 8.577 1.00 0.47 C ATOM 524 CG GLN A 32 -3.901 11.126 10.014 1.00 0.55 C ATOM 525 CD GLN A 32 -4.860 11.998 10.792 1.00 0.63 C ATOM 526 OE1 GLN A 32 -4.467 12.981 11.420 1.00 0.72 O ATOM 527 NE2 GLN A 32 -6.135 11.649 10.740 1.00 0.64 N ATOM 0 H GLN A 32 -5.406 9.800 8.041 1.00 0.38 H new ATOM 0 HA GLN A 32 -5.628 12.587 8.456 1.00 0.40 H new ATOM 0 HB2 GLN A 32 -3.189 10.824 8.021 1.00 0.47 H new ATOM 0 HB3 GLN A 32 -3.126 12.490 8.562 1.00 0.47 H new ATOM 0 HG2 GLN A 32 -4.260 10.097 10.024 1.00 0.55 H new ATOM 0 HG3 GLN A 32 -2.929 11.129 10.508 1.00 0.55 H new ATOM 0 HE21 GLN A 32 -6.417 10.826 10.207 1.00 0.64 H new ATOM 0 HE22 GLN A 32 -6.836 12.203 11.233 1.00 0.64 H new ATOM 536 N LEU A 33 -4.591 11.549 5.538 1.00 0.28 N ATOM 537 CA LEU A 33 -4.242 11.940 4.191 1.00 0.25 C ATOM 538 C LEU A 33 -5.388 12.716 3.559 1.00 0.21 C ATOM 539 O LEU A 33 -5.179 13.787 3.009 1.00 0.22 O ATOM 540 CB LEU A 33 -3.904 10.676 3.392 1.00 0.28 C ATOM 541 CG LEU A 33 -2.882 10.839 2.271 1.00 0.72 C ATOM 542 CD1 LEU A 33 -2.195 9.507 1.997 1.00 1.20 C ATOM 543 CD2 LEU A 33 -3.552 11.355 1.012 1.00 1.61 C ATOM 0 H LEU A 33 -4.680 10.542 5.674 1.00 0.28 H new ATOM 0 HA LEU A 33 -3.372 12.597 4.196 1.00 0.25 H new ATOM 0 HB2 LEU A 33 -3.534 9.921 4.086 1.00 0.28 H new ATOM 0 HB3 LEU A 33 -4.826 10.287 2.960 1.00 0.28 H new ATOM 0 HG LEU A 33 -2.132 11.566 2.583 1.00 0.72 H new ATOM 0 HD11 LEU A 33 -1.467 9.631 1.196 1.00 1.20 H new ATOM 0 HD12 LEU A 33 -1.687 9.167 2.899 1.00 1.20 H new ATOM 0 HD13 LEU A 33 -2.939 8.768 1.700 1.00 1.20 H new ATOM 0 HD21 LEU A 33 -2.808 11.465 0.223 1.00 1.61 H new ATOM 0 HD22 LEU A 33 -4.318 10.649 0.692 1.00 1.61 H new ATOM 0 HD23 LEU A 33 -4.012 12.322 1.215 1.00 1.61 H new ATOM 555 N GLU A 34 -6.605 12.230 3.708 1.00 0.21 N ATOM 556 CA GLU A 34 -7.755 12.928 3.142 1.00 0.25 C ATOM 557 C GLU A 34 -8.067 14.191 3.929 1.00 0.29 C ATOM 558 O GLU A 34 -8.411 15.226 3.354 1.00 0.33 O ATOM 559 CB GLU A 34 -8.975 12.010 3.070 1.00 0.31 C ATOM 560 CG GLU A 34 -9.249 11.239 4.353 1.00 0.38 C ATOM 561 CD GLU A 34 -10.361 10.222 4.198 1.00 0.54 C ATOM 562 OE1 GLU A 34 -10.114 9.155 3.601 1.00 0.63 O ATOM 563 OE2 GLU A 34 -11.492 10.487 4.658 1.00 0.87 O ATOM 0 H GLU A 34 -6.827 11.369 4.207 1.00 0.21 H new ATOM 0 HA GLU A 34 -7.500 13.222 2.124 1.00 0.25 H new ATOM 0 HB2 GLU A 34 -9.852 12.608 2.824 1.00 0.31 H new ATOM 0 HB3 GLU A 34 -8.834 11.300 2.255 1.00 0.31 H new ATOM 0 HG2 GLU A 34 -8.338 10.730 4.668 1.00 0.38 H new ATOM 0 HG3 GLU A 34 -9.512 11.941 5.145 1.00 0.38 H new ATOM 570 N ALA A 35 -7.929 14.105 5.242 1.00 0.30 N ATOM 571 CA ALA A 35 -8.205 15.237 6.112 1.00 0.36 C ATOM 572 C ALA A 35 -7.214 16.384 5.897 1.00 0.35 C ATOM 573 O ALA A 35 -7.605 17.550 5.838 1.00 0.42 O ATOM 574 CB ALA A 35 -8.195 14.795 7.569 1.00 0.40 C ATOM 0 H ALA A 35 -7.627 13.262 5.730 1.00 0.30 H new ATOM 0 HA ALA A 35 -9.196 15.612 5.856 1.00 0.36 H new ATOM 0 HB1 ALA A 35 -8.403 15.651 8.210 1.00 0.40 H new ATOM 0 HB2 ALA A 35 -8.958 14.032 7.723 1.00 0.40 H new ATOM 0 HB3 ALA A 35 -7.216 14.384 7.818 1.00 0.40 H new ATOM 580 N GLU A 36 -5.935 16.050 5.767 1.00 0.30 N ATOM 581 CA GLU A 36 -4.891 17.061 5.675 1.00 0.34 C ATOM 582 C GLU A 36 -4.555 17.429 4.232 1.00 0.31 C ATOM 583 O GLU A 36 -4.485 18.611 3.894 1.00 0.41 O ATOM 584 CB GLU A 36 -3.631 16.595 6.404 1.00 0.38 C ATOM 585 CG GLU A 36 -3.801 16.518 7.914 1.00 0.74 C ATOM 586 CD GLU A 36 -3.908 17.885 8.563 1.00 1.25 C ATOM 587 OE1 GLU A 36 -4.972 18.533 8.441 1.00 1.73 O ATOM 588 OE2 GLU A 36 -2.927 18.314 9.206 1.00 1.69 O ATOM 0 H GLU A 36 -5.598 15.088 5.723 1.00 0.30 H new ATOM 0 HA GLU A 36 -5.279 17.959 6.155 1.00 0.34 H new ATOM 0 HB2 GLU A 36 -3.344 15.613 6.027 1.00 0.38 H new ATOM 0 HB3 GLU A 36 -2.813 17.277 6.172 1.00 0.38 H new ATOM 0 HG2 GLU A 36 -4.695 15.940 8.145 1.00 0.74 H new ATOM 0 HG3 GLU A 36 -2.955 15.982 8.344 1.00 0.74 H new ATOM 595 N THR A 37 -4.346 16.435 3.374 1.00 0.24 N ATOM 596 CA THR A 37 -3.887 16.721 2.022 1.00 0.26 C ATOM 597 C THR A 37 -5.044 17.164 1.130 1.00 0.28 C ATOM 598 O THR A 37 -4.848 17.887 0.153 1.00 0.35 O ATOM 599 CB THR A 37 -3.172 15.521 1.359 1.00 0.28 C ATOM 600 OG1 THR A 37 -4.122 14.563 0.894 1.00 0.25 O ATOM 601 CG2 THR A 37 -2.216 14.853 2.335 1.00 0.29 C ATOM 0 H THR A 37 -4.484 15.447 3.585 1.00 0.24 H new ATOM 0 HA THR A 37 -3.163 17.530 2.122 1.00 0.26 H new ATOM 0 HB THR A 37 -2.603 15.902 0.511 1.00 0.28 H new ATOM 0 HG1 THR A 37 -4.649 14.231 1.651 1.00 0.25 H new ATOM 0 HG21 THR A 37 -1.725 14.012 1.845 1.00 0.29 H new ATOM 0 HG22 THR A 37 -1.465 15.573 2.659 1.00 0.29 H new ATOM 0 HG23 THR A 37 -2.772 14.494 3.201 1.00 0.29 H new ATOM 609 N GLY A 38 -6.253 16.738 1.487 1.00 0.28 N ATOM 610 CA GLY A 38 -7.403 16.976 0.636 1.00 0.35 C ATOM 611 C GLY A 38 -7.602 15.843 -0.340 1.00 0.35 C ATOM 612 O GLY A 38 -8.564 15.830 -1.107 1.00 0.44 O ATOM 0 H GLY A 38 -6.455 16.233 2.350 1.00 0.28 H new ATOM 0 HA2 GLY A 38 -8.296 17.092 1.250 1.00 0.35 H new ATOM 0 HA3 GLY A 38 -7.268 17.910 0.091 1.00 0.35 H new ATOM 616 N CYS A 39 -6.686 14.889 -0.306 1.00 0.29 N ATOM 617 CA CYS A 39 -6.764 13.725 -1.160 1.00 0.26 C ATOM 618 C CYS A 39 -7.379 12.565 -0.428 1.00 0.35 C ATOM 619 O CYS A 39 -6.845 12.088 0.569 1.00 0.73 O ATOM 620 CB CYS A 39 -5.382 13.329 -1.650 1.00 0.37 C ATOM 621 SG CYS A 39 -5.371 11.874 -2.716 1.00 1.29 S ATOM 0 H CYS A 39 -5.874 14.903 0.311 1.00 0.29 H new ATOM 0 HA CYS A 39 -7.391 13.982 -2.014 1.00 0.26 H new ATOM 0 HB2 CYS A 39 -4.946 14.168 -2.193 1.00 0.37 H new ATOM 0 HB3 CYS A 39 -4.742 13.140 -0.788 1.00 0.37 H new ATOM 0 HG CYS A 39 -5.981 10.894 -2.118 1.00 1.29 H new ATOM 627 N LYS A 40 -8.487 12.095 -0.947 1.00 0.28 N ATOM 628 CA LYS A 40 -9.128 10.941 -0.388 1.00 0.27 C ATOM 629 C LYS A 40 -8.447 9.714 -0.968 1.00 0.24 C ATOM 630 O LYS A 40 -8.784 9.263 -2.060 1.00 0.26 O ATOM 631 CB LYS A 40 -10.624 10.968 -0.741 1.00 0.35 C ATOM 632 CG LYS A 40 -11.529 10.190 0.204 1.00 1.07 C ATOM 633 CD LYS A 40 -11.224 8.703 0.214 1.00 1.36 C ATOM 634 CE LYS A 40 -12.214 7.947 1.083 1.00 1.62 C ATOM 635 NZ LYS A 40 -12.346 8.562 2.429 1.00 2.51 N ATOM 0 H LYS A 40 -8.960 12.497 -1.756 1.00 0.28 H new ATOM 0 HA LYS A 40 -9.044 10.925 0.699 1.00 0.27 H new ATOM 0 HB2 LYS A 40 -10.956 12.006 -0.764 1.00 0.35 H new ATOM 0 HB3 LYS A 40 -10.750 10.571 -1.748 1.00 0.35 H new ATOM 0 HG2 LYS A 40 -11.420 10.586 1.214 1.00 1.07 H new ATOM 0 HG3 LYS A 40 -12.568 10.342 -0.087 1.00 1.07 H new ATOM 0 HD2 LYS A 40 -11.259 8.315 -0.804 1.00 1.36 H new ATOM 0 HD3 LYS A 40 -10.212 8.539 0.584 1.00 1.36 H new ATOM 0 HE2 LYS A 40 -13.188 7.929 0.594 1.00 1.62 H new ATOM 0 HE3 LYS A 40 -11.890 6.911 1.186 1.00 1.62 H new ATOM 0 HZ1 LYS A 40 -13.030 8.019 2.993 1.00 2.51 H new ATOM 0 HZ2 LYS A 40 -11.422 8.556 2.906 1.00 2.51 H new ATOM 0 HZ3 LYS A 40 -12.679 9.542 2.332 1.00 2.51 H new ATOM 649 N ILE A 41 -7.461 9.197 -0.258 1.00 0.22 N ATOM 650 CA ILE A 41 -6.789 7.991 -0.694 1.00 0.21 C ATOM 651 C ILE A 41 -7.634 6.775 -0.332 1.00 0.23 C ATOM 652 O ILE A 41 -7.897 6.492 0.837 1.00 0.29 O ATOM 653 CB ILE A 41 -5.373 7.872 -0.079 1.00 0.21 C ATOM 654 CG1 ILE A 41 -4.702 6.562 -0.484 1.00 0.23 C ATOM 655 CG2 ILE A 41 -5.430 7.980 1.442 1.00 0.25 C ATOM 656 CD1 ILE A 41 -3.284 6.442 0.040 1.00 0.25 C ATOM 0 H ILE A 41 -7.111 9.591 0.616 1.00 0.22 H new ATOM 0 HA ILE A 41 -6.669 8.039 -1.776 1.00 0.21 H new ATOM 0 HB ILE A 41 -4.777 8.698 -0.468 1.00 0.21 H new ATOM 0 HG12 ILE A 41 -5.294 5.726 -0.112 1.00 0.23 H new ATOM 0 HG13 ILE A 41 -4.690 6.486 -1.571 1.00 0.23 H new ATOM 0 HG21 ILE A 41 -4.423 7.893 1.851 1.00 0.25 H new ATOM 0 HG22 ILE A 41 -5.854 8.944 1.723 1.00 0.25 H new ATOM 0 HG23 ILE A 41 -6.053 7.180 1.840 1.00 0.25 H new ATOM 0 HD11 ILE A 41 -2.857 5.491 -0.279 1.00 0.25 H new ATOM 0 HD12 ILE A 41 -2.681 7.260 -0.353 1.00 0.25 H new ATOM 0 HD13 ILE A 41 -3.293 6.488 1.129 1.00 0.25 H new ATOM 668 N MET A 42 -8.089 6.077 -1.351 1.00 0.20 N ATOM 669 CA MET A 42 -8.976 4.959 -1.157 1.00 0.21 C ATOM 670 C MET A 42 -8.319 3.679 -1.612 1.00 0.20 C ATOM 671 O MET A 42 -7.714 3.618 -2.685 1.00 0.21 O ATOM 672 CB MET A 42 -10.289 5.163 -1.919 1.00 0.26 C ATOM 673 CG MET A 42 -10.102 5.515 -3.389 1.00 0.29 C ATOM 674 SD MET A 42 -11.645 5.455 -4.323 1.00 0.45 S ATOM 675 CE MET A 42 -11.164 6.323 -5.817 1.00 1.43 C ATOM 0 H MET A 42 -7.855 6.269 -2.325 1.00 0.20 H new ATOM 0 HA MET A 42 -9.197 4.889 -0.092 1.00 0.21 H new ATOM 0 HB2 MET A 42 -10.885 4.253 -1.847 1.00 0.26 H new ATOM 0 HB3 MET A 42 -10.859 5.956 -1.435 1.00 0.26 H new ATOM 0 HG2 MET A 42 -9.674 6.514 -3.467 1.00 0.29 H new ATOM 0 HG3 MET A 42 -9.385 4.825 -3.835 1.00 0.29 H new ATOM 0 HE1 MET A 42 -11.984 6.293 -6.535 1.00 1.43 H new ATOM 0 HE2 MET A 42 -10.930 7.360 -5.576 1.00 1.43 H new ATOM 0 HE3 MET A 42 -10.285 5.844 -6.249 1.00 1.43 H new ATOM 685 N VAL A 43 -8.422 2.662 -0.785 1.00 0.22 N ATOM 686 CA VAL A 43 -8.016 1.335 -1.183 1.00 0.25 C ATOM 687 C VAL A 43 -9.058 0.754 -2.122 1.00 0.27 C ATOM 688 O VAL A 43 -10.259 0.948 -1.934 1.00 0.41 O ATOM 689 CB VAL A 43 -7.774 0.390 0.014 1.00 0.32 C ATOM 690 CG1 VAL A 43 -6.422 0.680 0.651 1.00 0.51 C ATOM 691 CG2 VAL A 43 -8.883 0.512 1.048 1.00 0.79 C ATOM 0 H VAL A 43 -8.783 2.730 0.166 1.00 0.22 H new ATOM 0 HA VAL A 43 -7.057 1.424 -1.694 1.00 0.25 H new ATOM 0 HB VAL A 43 -7.777 -0.634 -0.361 1.00 0.32 H new ATOM 0 HG11 VAL A 43 -6.265 0.006 1.493 1.00 0.51 H new ATOM 0 HG12 VAL A 43 -5.633 0.530 -0.086 1.00 0.51 H new ATOM 0 HG13 VAL A 43 -6.399 1.712 1.002 1.00 0.51 H new ATOM 0 HG21 VAL A 43 -8.683 -0.166 1.878 1.00 0.79 H new ATOM 0 HG22 VAL A 43 -8.924 1.536 1.418 1.00 0.79 H new ATOM 0 HG23 VAL A 43 -9.838 0.253 0.590 1.00 0.79 H new ATOM 701 N ARG A 44 -8.586 0.078 -3.141 1.00 0.29 N ATOM 702 CA ARG A 44 -9.426 -0.408 -4.217 1.00 0.31 C ATOM 703 C ARG A 44 -9.154 -1.878 -4.437 1.00 0.38 C ATOM 704 O ARG A 44 -8.097 -2.361 -4.065 1.00 0.71 O ATOM 705 CB ARG A 44 -9.167 0.356 -5.516 1.00 0.33 C ATOM 706 CG ARG A 44 -9.707 1.779 -5.539 1.00 0.37 C ATOM 707 CD ARG A 44 -9.878 2.256 -6.964 1.00 0.50 C ATOM 708 NE ARG A 44 -10.968 3.217 -7.101 1.00 0.56 N ATOM 709 CZ ARG A 44 -11.904 3.129 -8.051 1.00 0.72 C ATOM 710 NH1 ARG A 44 -11.919 2.083 -8.870 1.00 1.26 N ATOM 711 NH2 ARG A 44 -12.839 4.063 -8.160 1.00 1.10 N ATOM 0 H ARG A 44 -7.599 -0.154 -3.251 1.00 0.29 H new ATOM 0 HA ARG A 44 -10.467 -0.254 -3.934 1.00 0.31 H new ATOM 0 HB2 ARG A 44 -8.092 0.388 -5.694 1.00 0.33 H new ATOM 0 HB3 ARG A 44 -9.611 -0.199 -6.342 1.00 0.33 H new ATOM 0 HG2 ARG A 44 -10.664 1.820 -5.018 1.00 0.37 H new ATOM 0 HG3 ARG A 44 -9.025 2.442 -5.006 1.00 0.37 H new ATOM 0 HD2 ARG A 44 -8.949 2.713 -7.305 1.00 0.50 H new ATOM 0 HD3 ARG A 44 -10.069 1.400 -7.611 1.00 0.50 H new ATOM 0 HE ARG A 44 -11.018 3.993 -6.440 1.00 0.56 H new ATOM 0 HH11 ARG A 44 -11.217 1.349 -8.773 1.00 1.26 H new ATOM 0 HH12 ARG A 44 -12.632 2.014 -9.596 1.00 1.26 H new ATOM 0 HH21 ARG A 44 -12.847 4.854 -7.517 1.00 1.10 H new ATOM 0 HH22 ARG A 44 -13.550 3.990 -8.887 1.00 1.10 H new ATOM 725 N GLY A 45 -10.084 -2.574 -5.063 1.00 0.26 N ATOM 726 CA GLY A 45 -9.981 -4.013 -5.157 1.00 0.29 C ATOM 727 C GLY A 45 -10.526 -4.665 -3.912 1.00 0.29 C ATOM 728 O GLY A 45 -11.072 -3.980 -3.043 1.00 0.33 O ATOM 0 H GLY A 45 -10.908 -2.171 -5.508 1.00 0.26 H new ATOM 0 HA2 GLY A 45 -10.530 -4.366 -6.030 1.00 0.29 H new ATOM 0 HA3 GLY A 45 -8.939 -4.300 -5.298 1.00 0.29 H new ATOM 732 N LYS A 46 -10.398 -5.975 -3.810 1.00 0.39 N ATOM 733 CA LYS A 46 -10.826 -6.664 -2.604 1.00 0.50 C ATOM 734 C LYS A 46 -9.953 -6.242 -1.440 1.00 0.50 C ATOM 735 O LYS A 46 -8.766 -5.965 -1.595 1.00 0.62 O ATOM 736 CB LYS A 46 -10.823 -8.193 -2.776 1.00 0.74 C ATOM 737 CG LYS A 46 -9.444 -8.852 -2.726 1.00 0.90 C ATOM 738 CD LYS A 46 -8.658 -8.690 -4.021 1.00 0.94 C ATOM 739 CE LYS A 46 -9.404 -9.259 -5.220 1.00 0.72 C ATOM 740 NZ LYS A 46 -8.489 -9.555 -6.353 1.00 1.45 N ATOM 0 H LYS A 46 -10.007 -6.577 -4.535 1.00 0.39 H new ATOM 0 HA LYS A 46 -11.858 -6.379 -2.399 1.00 0.50 H new ATOM 0 HB2 LYS A 46 -11.446 -8.631 -1.996 1.00 0.74 H new ATOM 0 HB3 LYS A 46 -11.290 -8.436 -3.731 1.00 0.74 H new ATOM 0 HG2 LYS A 46 -8.872 -8.422 -1.904 1.00 0.90 H new ATOM 0 HG3 LYS A 46 -9.563 -9.914 -2.510 1.00 0.90 H new ATOM 0 HD2 LYS A 46 -8.454 -7.633 -4.190 1.00 0.94 H new ATOM 0 HD3 LYS A 46 -7.694 -9.190 -3.924 1.00 0.94 H new ATOM 0 HE2 LYS A 46 -9.923 -10.171 -4.925 1.00 0.72 H new ATOM 0 HE3 LYS A 46 -10.165 -8.549 -5.544 1.00 0.72 H new ATOM 0 HZ1 LYS A 46 -8.773 -8.997 -7.183 1.00 1.45 H new ATOM 0 HZ2 LYS A 46 -7.515 -9.308 -6.086 1.00 1.45 H new ATOM 0 HZ3 LYS A 46 -8.538 -10.568 -6.584 1.00 1.45 H new ATOM 754 N GLY A 47 -10.564 -6.181 -0.283 1.00 0.57 N ATOM 755 CA GLY A 47 -9.968 -5.498 0.833 1.00 0.68 C ATOM 756 C GLY A 47 -10.765 -4.252 1.097 1.00 0.51 C ATOM 757 O GLY A 47 -10.751 -3.689 2.187 1.00 0.60 O ATOM 0 H GLY A 47 -11.475 -6.597 -0.091 1.00 0.57 H new ATOM 0 HA2 GLY A 47 -9.963 -6.140 1.714 1.00 0.68 H new ATOM 0 HA3 GLY A 47 -8.930 -5.247 0.615 1.00 0.68 H new ATOM 761 N SER A 48 -11.477 -3.833 0.062 1.00 0.54 N ATOM 762 CA SER A 48 -12.490 -2.808 0.180 1.00 0.72 C ATOM 763 C SER A 48 -13.794 -3.453 0.685 1.00 1.02 C ATOM 764 O SER A 48 -14.823 -2.804 0.849 1.00 1.43 O ATOM 765 CB SER A 48 -12.716 -2.151 -1.172 1.00 0.82 C ATOM 766 OG SER A 48 -11.496 -1.666 -1.701 1.00 1.31 O ATOM 0 H SER A 48 -11.365 -4.198 -0.884 1.00 0.54 H new ATOM 0 HA SER A 48 -12.166 -2.044 0.887 1.00 0.72 H new ATOM 0 HB2 SER A 48 -13.158 -2.870 -1.862 1.00 0.82 H new ATOM 0 HB3 SER A 48 -13.426 -1.330 -1.069 1.00 0.82 H new ATOM 0 HG SER A 48 -11.098 -2.347 -2.283 1.00 1.31 H new ATOM 772 N MET A 49 -13.687 -4.749 0.958 1.00 1.18 N ATOM 773 CA MET A 49 -14.813 -5.627 1.265 1.00 1.58 C ATOM 774 C MET A 49 -14.688 -6.134 2.688 1.00 1.30 C ATOM 775 O MET A 49 -15.171 -7.203 3.054 1.00 1.70 O ATOM 776 CB MET A 49 -14.846 -6.809 0.289 1.00 2.49 C ATOM 777 CG MET A 49 -13.640 -7.732 0.388 1.00 3.25 C ATOM 778 SD MET A 49 -13.690 -9.068 -0.822 1.00 4.35 S ATOM 779 CE MET A 49 -15.236 -9.866 -0.388 1.00 5.15 C ATOM 0 H MET A 49 -12.789 -5.233 0.972 1.00 1.18 H new ATOM 0 HA MET A 49 -15.741 -5.065 1.162 1.00 1.58 H new ATOM 0 HB2 MET A 49 -15.750 -7.390 0.470 1.00 2.49 H new ATOM 0 HB3 MET A 49 -14.913 -6.424 -0.729 1.00 2.49 H new ATOM 0 HG2 MET A 49 -12.729 -7.151 0.245 1.00 3.25 H new ATOM 0 HG3 MET A 49 -13.593 -8.156 1.391 1.00 3.25 H new ATOM 0 HE1 MET A 49 -15.139 -10.943 -0.522 1.00 5.15 H new ATOM 0 HE2 MET A 49 -15.477 -9.650 0.653 1.00 5.15 H new ATOM 0 HE3 MET A 49 -16.032 -9.490 -1.031 1.00 5.15 H new ATOM 789 N ARG A 50 -14.050 -5.316 3.474 1.00 0.89 N ATOM 790 CA ARG A 50 -13.607 -5.672 4.804 1.00 1.28 C ATOM 791 C ARG A 50 -14.605 -5.268 5.887 1.00 1.22 C ATOM 792 O ARG A 50 -14.578 -5.819 6.988 1.00 1.55 O ATOM 793 CB ARG A 50 -12.244 -5.014 5.061 1.00 1.65 C ATOM 794 CG ARG A 50 -12.275 -3.486 5.178 1.00 2.14 C ATOM 795 CD ARG A 50 -13.037 -2.812 4.035 1.00 2.26 C ATOM 796 NE ARG A 50 -13.019 -1.355 4.168 1.00 3.05 N ATOM 797 CZ ARG A 50 -12.245 -0.533 3.462 1.00 3.84 C ATOM 798 NH1 ARG A 50 -11.348 -1.022 2.613 1.00 4.04 N ATOM 799 NH2 ARG A 50 -12.344 0.782 3.638 1.00 4.74 N ATOM 0 H ARG A 50 -13.815 -4.360 3.208 1.00 0.89 H new ATOM 0 HA ARG A 50 -13.524 -6.758 4.854 1.00 1.28 H new ATOM 0 HB2 ARG A 50 -11.826 -5.425 5.980 1.00 1.65 H new ATOM 0 HB3 ARG A 50 -11.567 -5.288 4.252 1.00 1.65 H new ATOM 0 HG2 ARG A 50 -12.735 -3.209 6.126 1.00 2.14 H new ATOM 0 HG3 ARG A 50 -11.253 -3.108 5.198 1.00 2.14 H new ATOM 0 HD2 ARG A 50 -12.593 -3.097 3.081 1.00 2.26 H new ATOM 0 HD3 ARG A 50 -14.068 -3.165 4.025 1.00 2.26 H new ATOM 0 HE ARG A 50 -13.647 -0.937 4.854 1.00 3.05 H new ATOM 0 HH11 ARG A 50 -11.250 -2.031 2.500 1.00 4.04 H new ATOM 0 HH12 ARG A 50 -10.757 -0.389 2.074 1.00 4.04 H new ATOM 0 HH21 ARG A 50 -13.011 1.158 4.312 1.00 4.74 H new ATOM 0 HH22 ARG A 50 -11.753 1.415 3.099 1.00 4.74 H new ATOM 813 N ASP A 51 -15.501 -4.333 5.585 1.00 0.99 N ATOM 814 CA ASP A 51 -16.324 -3.744 6.608 1.00 1.15 C ATOM 815 C ASP A 51 -17.681 -4.397 6.597 1.00 1.27 C ATOM 816 O ASP A 51 -18.491 -4.124 5.711 1.00 1.24 O ATOM 817 CB ASP A 51 -16.452 -2.243 6.370 1.00 1.25 C ATOM 818 CG ASP A 51 -15.273 -1.448 6.882 1.00 1.85 C ATOM 819 OD1 ASP A 51 -14.920 -1.587 8.067 1.00 1.97 O ATOM 820 OD2 ASP A 51 -14.697 -0.671 6.092 1.00 2.67 O ATOM 0 H ASP A 51 -15.667 -3.976 4.644 1.00 0.99 H new ATOM 0 HA ASP A 51 -15.863 -3.902 7.583 1.00 1.15 H new ATOM 0 HB2 ASP A 51 -16.566 -2.061 5.301 1.00 1.25 H new ATOM 0 HB3 ASP A 51 -17.360 -1.883 6.853 1.00 1.25 H new ATOM 825 N LYS A 52 -17.921 -5.271 7.567 1.00 1.46 N ATOM 826 CA LYS A 52 -19.170 -6.013 7.626 1.00 1.63 C ATOM 827 C LYS A 52 -20.339 -5.047 7.689 1.00 1.60 C ATOM 828 O LYS A 52 -21.380 -5.268 7.073 1.00 1.65 O ATOM 829 CB LYS A 52 -19.198 -6.958 8.829 1.00 1.89 C ATOM 830 CG LYS A 52 -20.259 -8.041 8.716 1.00 2.13 C ATOM 831 CD LYS A 52 -20.270 -8.949 9.935 1.00 2.73 C ATOM 832 CE LYS A 52 -20.905 -8.268 11.134 1.00 3.39 C ATOM 833 NZ LYS A 52 -22.361 -8.042 10.932 1.00 4.02 N ATOM 0 H LYS A 52 -17.267 -5.482 8.321 1.00 1.46 H new ATOM 0 HA LYS A 52 -19.251 -6.619 6.724 1.00 1.63 H new ATOM 0 HB2 LYS A 52 -18.220 -7.427 8.937 1.00 1.89 H new ATOM 0 HB3 LYS A 52 -19.375 -6.378 9.734 1.00 1.89 H new ATOM 0 HG2 LYS A 52 -21.239 -7.579 8.598 1.00 2.13 H new ATOM 0 HG3 LYS A 52 -20.077 -8.636 7.821 1.00 2.13 H new ATOM 0 HD2 LYS A 52 -20.817 -9.863 9.703 1.00 2.73 H new ATOM 0 HD3 LYS A 52 -19.249 -9.242 10.181 1.00 2.73 H new ATOM 0 HE2 LYS A 52 -20.752 -8.880 12.023 1.00 3.39 H new ATOM 0 HE3 LYS A 52 -20.410 -7.314 11.314 1.00 3.39 H new ATOM 0 HZ1 LYS A 52 -22.827 -7.934 11.855 1.00 4.02 H new ATOM 0 HZ2 LYS A 52 -22.504 -7.179 10.369 1.00 4.02 H new ATOM 0 HZ3 LYS A 52 -22.772 -8.855 10.430 1.00 4.02 H new ATOM 847 N LYS A 53 -20.152 -3.957 8.414 1.00 1.58 N ATOM 848 CA LYS A 53 -21.162 -2.926 8.475 1.00 1.61 C ATOM 849 C LYS A 53 -21.381 -2.312 7.098 1.00 1.43 C ATOM 850 O LYS A 53 -22.518 -2.145 6.669 1.00 1.45 O ATOM 851 CB LYS A 53 -20.794 -1.846 9.496 1.00 1.70 C ATOM 852 CG LYS A 53 -19.517 -1.083 9.182 1.00 1.61 C ATOM 853 CD LYS A 53 -19.207 -0.059 10.263 1.00 1.81 C ATOM 854 CE LYS A 53 -17.947 0.732 9.950 1.00 2.29 C ATOM 855 NZ LYS A 53 -17.626 1.711 11.024 1.00 2.51 N ATOM 0 H LYS A 53 -19.314 -3.768 8.964 1.00 1.58 H new ATOM 0 HA LYS A 53 -22.094 -3.388 8.802 1.00 1.61 H new ATOM 0 HB2 LYS A 53 -21.618 -1.136 9.566 1.00 1.70 H new ATOM 0 HB3 LYS A 53 -20.691 -2.312 10.476 1.00 1.70 H new ATOM 0 HG2 LYS A 53 -18.686 -1.782 9.091 1.00 1.61 H new ATOM 0 HG3 LYS A 53 -19.618 -0.581 8.220 1.00 1.61 H new ATOM 0 HD2 LYS A 53 -20.049 0.625 10.367 1.00 1.81 H new ATOM 0 HD3 LYS A 53 -19.089 -0.566 11.220 1.00 1.81 H new ATOM 0 HE2 LYS A 53 -17.110 0.046 9.822 1.00 2.29 H new ATOM 0 HE3 LYS A 53 -18.075 1.259 9.004 1.00 2.29 H new ATOM 0 HZ1 LYS A 53 -16.760 2.230 10.773 1.00 2.51 H new ATOM 0 HZ2 LYS A 53 -18.414 2.382 11.129 1.00 2.51 H new ATOM 0 HZ3 LYS A 53 -17.479 1.206 11.921 1.00 2.51 H new ATOM 869 N LYS A 54 -20.295 -2.007 6.384 1.00 1.31 N ATOM 870 CA LYS A 54 -20.421 -1.373 5.080 1.00 1.17 C ATOM 871 C LYS A 54 -21.145 -2.283 4.099 1.00 1.19 C ATOM 872 O LYS A 54 -22.060 -1.851 3.414 1.00 1.21 O ATOM 873 CB LYS A 54 -19.076 -0.935 4.505 1.00 1.09 C ATOM 874 CG LYS A 54 -18.863 0.572 4.515 1.00 1.22 C ATOM 875 CD LYS A 54 -17.950 1.025 5.644 1.00 1.37 C ATOM 876 CE LYS A 54 -17.575 2.492 5.480 1.00 1.53 C ATOM 877 NZ LYS A 54 -16.701 2.985 6.579 1.00 2.16 N ATOM 0 H LYS A 54 -19.337 -2.187 6.684 1.00 1.31 H new ATOM 0 HA LYS A 54 -21.014 -0.471 5.231 1.00 1.17 H new ATOM 0 HB2 LYS A 54 -18.277 -1.409 5.075 1.00 1.09 H new ATOM 0 HB3 LYS A 54 -18.995 -1.297 3.480 1.00 1.09 H new ATOM 0 HG2 LYS A 54 -18.436 0.881 3.561 1.00 1.22 H new ATOM 0 HG3 LYS A 54 -19.827 1.071 4.610 1.00 1.22 H new ATOM 0 HD2 LYS A 54 -18.448 0.877 6.602 1.00 1.37 H new ATOM 0 HD3 LYS A 54 -17.048 0.413 5.656 1.00 1.37 H new ATOM 0 HE2 LYS A 54 -17.065 2.629 4.526 1.00 1.53 H new ATOM 0 HE3 LYS A 54 -18.483 3.094 5.445 1.00 1.53 H new ATOM 0 HZ1 LYS A 54 -16.475 3.988 6.420 1.00 2.16 H new ATOM 0 HZ2 LYS A 54 -17.195 2.881 7.488 1.00 2.16 H new ATOM 0 HZ3 LYS A 54 -15.821 2.431 6.598 1.00 2.16 H new ATOM 891 N GLU A 55 -20.771 -3.550 4.068 1.00 1.26 N ATOM 892 CA GLU A 55 -21.367 -4.501 3.135 1.00 1.33 C ATOM 893 C GLU A 55 -22.830 -4.770 3.468 1.00 1.46 C ATOM 894 O GLU A 55 -23.595 -5.217 2.619 1.00 1.53 O ATOM 895 CB GLU A 55 -20.566 -5.805 3.106 1.00 1.44 C ATOM 896 CG GLU A 55 -20.271 -6.364 4.477 1.00 1.58 C ATOM 897 CD GLU A 55 -19.392 -7.601 4.435 1.00 1.79 C ATOM 898 OE1 GLU A 55 -18.156 -7.447 4.400 1.00 2.05 O ATOM 899 OE2 GLU A 55 -19.931 -8.727 4.433 1.00 1.96 O ATOM 0 H GLU A 55 -20.057 -3.948 4.677 1.00 1.26 H new ATOM 0 HA GLU A 55 -21.334 -4.055 2.141 1.00 1.33 H new ATOM 0 HB2 GLU A 55 -21.118 -6.548 2.531 1.00 1.44 H new ATOM 0 HB3 GLU A 55 -19.625 -5.632 2.583 1.00 1.44 H new ATOM 0 HG2 GLU A 55 -19.782 -5.598 5.079 1.00 1.58 H new ATOM 0 HG3 GLU A 55 -21.210 -6.609 4.974 1.00 1.58 H new ATOM 906 N GLU A 56 -23.216 -4.505 4.704 1.00 1.51 N ATOM 907 CA GLU A 56 -24.604 -4.673 5.094 1.00 1.64 C ATOM 908 C GLU A 56 -25.440 -3.459 4.706 1.00 1.57 C ATOM 909 O GLU A 56 -26.438 -3.590 4.003 1.00 1.62 O ATOM 910 CB GLU A 56 -24.727 -4.935 6.593 1.00 1.78 C ATOM 911 CG GLU A 56 -24.203 -6.295 7.014 1.00 1.87 C ATOM 912 CD GLU A 56 -24.395 -6.555 8.490 1.00 2.05 C ATOM 913 OE1 GLU A 56 -25.489 -7.018 8.875 1.00 2.33 O ATOM 914 OE2 GLU A 56 -23.459 -6.298 9.276 1.00 2.40 O ATOM 0 H GLU A 56 -22.597 -4.177 5.446 1.00 1.51 H new ATOM 0 HA GLU A 56 -24.987 -5.541 4.557 1.00 1.64 H new ATOM 0 HB2 GLU A 56 -24.183 -4.161 7.135 1.00 1.78 H new ATOM 0 HB3 GLU A 56 -25.774 -4.852 6.884 1.00 1.78 H new ATOM 0 HG2 GLU A 56 -24.712 -7.071 6.442 1.00 1.87 H new ATOM 0 HG3 GLU A 56 -23.143 -6.364 6.771 1.00 1.87 H new ATOM 921 N GLN A 57 -25.030 -2.278 5.152 1.00 1.48 N ATOM 922 CA GLN A 57 -25.867 -1.090 5.003 1.00 1.47 C ATOM 923 C GLN A 57 -25.385 -0.129 3.911 1.00 1.36 C ATOM 924 O GLN A 57 -26.196 0.556 3.288 1.00 1.40 O ATOM 925 CB GLN A 57 -26.003 -0.381 6.355 1.00 1.55 C ATOM 926 CG GLN A 57 -24.696 -0.230 7.121 1.00 1.59 C ATOM 927 CD GLN A 57 -23.815 0.892 6.617 1.00 1.75 C ATOM 928 OE1 GLN A 57 -22.514 0.655 6.618 1.00 2.37 O flip ATOM 929 NE2 GLN A 57 -24.300 1.936 6.184 1.00 1.85 N flip ATOM 0 H GLN A 57 -24.135 -2.116 5.614 1.00 1.48 H new ATOM 0 HA GLN A 57 -26.848 -1.429 4.670 1.00 1.47 H new ATOM 0 HB2 GLN A 57 -26.430 0.608 6.191 1.00 1.55 H new ATOM 0 HB3 GLN A 57 -26.710 -0.935 6.973 1.00 1.55 H new ATOM 0 HG2 GLN A 57 -24.921 -0.057 8.173 1.00 1.59 H new ATOM 0 HG3 GLN A 57 -24.142 -1.167 7.063 1.00 1.59 H new ATOM 0 HE21 GLN A 57 -25.310 2.076 6.203 1.00 1.85 H new ATOM 0 HE22 GLN A 57 -23.692 2.662 5.806 1.00 1.85 H new ATOM 938 N ASN A 58 -24.083 -0.085 3.665 1.00 1.27 N ATOM 939 CA ASN A 58 -23.515 0.877 2.716 1.00 1.21 C ATOM 940 C ASN A 58 -22.964 0.142 1.494 1.00 1.16 C ATOM 941 O ASN A 58 -22.112 0.646 0.766 1.00 1.13 O ATOM 942 CB ASN A 58 -22.418 1.704 3.399 1.00 1.21 C ATOM 943 CG ASN A 58 -22.261 3.093 2.798 1.00 1.55 C ATOM 944 OD1 ASN A 58 -21.173 3.668 2.811 1.00 2.20 O ATOM 945 ND2 ASN A 58 -23.347 3.655 2.293 1.00 1.95 N ATOM 0 H ASN A 58 -23.398 -0.700 4.105 1.00 1.27 H new ATOM 0 HA ASN A 58 -24.298 1.558 2.382 1.00 1.21 H new ATOM 0 HB2 ASN A 58 -22.648 1.797 4.460 1.00 1.21 H new ATOM 0 HB3 ASN A 58 -21.470 1.172 3.324 1.00 1.21 H new ATOM 0 HD21 ASN A 58 -23.299 4.594 1.898 1.00 1.95 H new ATOM 0 HD22 ASN A 58 -24.233 3.149 2.299 1.00 1.95 H new ATOM 952 N ARG A 59 -23.454 -1.080 1.319 1.00 1.20 N ATOM 953 CA ARG A 59 -23.108 -1.943 0.191 1.00 1.22 C ATOM 954 C ARG A 59 -23.408 -1.272 -1.151 1.00 1.19 C ATOM 955 O ARG A 59 -24.188 -0.321 -1.222 1.00 1.24 O ATOM 956 CB ARG A 59 -23.890 -3.256 0.300 1.00 1.36 C ATOM 957 CG ARG A 59 -25.395 -3.059 0.372 1.00 1.47 C ATOM 958 CD ARG A 59 -26.102 -4.284 0.933 1.00 1.69 C ATOM 959 NE ARG A 59 -26.076 -5.432 0.025 1.00 2.08 N ATOM 960 CZ ARG A 59 -26.110 -6.704 0.434 1.00 2.67 C ATOM 961 NH1 ARG A 59 -25.990 -6.993 1.727 1.00 2.95 N ATOM 962 NH2 ARG A 59 -26.235 -7.686 -0.453 1.00 3.45 N ATOM 0 H ARG A 59 -24.115 -1.508 1.967 1.00 1.20 H new ATOM 0 HA ARG A 59 -22.036 -2.138 0.230 1.00 1.22 H new ATOM 0 HB2 ARG A 59 -23.654 -3.883 -0.560 1.00 1.36 H new ATOM 0 HB3 ARG A 59 -23.559 -3.795 1.188 1.00 1.36 H new ATOM 0 HG2 ARG A 59 -25.618 -2.194 0.996 1.00 1.47 H new ATOM 0 HG3 ARG A 59 -25.781 -2.842 -0.624 1.00 1.47 H new ATOM 0 HD2 ARG A 59 -25.634 -4.565 1.877 1.00 1.69 H new ATOM 0 HD3 ARG A 59 -27.138 -4.028 1.155 1.00 1.69 H new ATOM 0 HE ARG A 59 -26.029 -5.251 -0.978 1.00 2.08 H new ATOM 0 HH11 ARG A 59 -25.872 -6.243 2.408 1.00 2.95 H new ATOM 0 HH12 ARG A 59 -26.016 -7.964 2.037 1.00 2.95 H new ATOM 0 HH21 ARG A 59 -26.305 -7.469 -1.447 1.00 3.45 H new ATOM 0 HH22 ARG A 59 -26.261 -8.656 -0.139 1.00 3.45 H new ATOM 976 N GLY A 60 -22.785 -1.777 -2.208 1.00 1.15 N ATOM 977 CA GLY A 60 -22.988 -1.220 -3.538 1.00 1.15 C ATOM 978 C GLY A 60 -22.183 0.046 -3.782 1.00 1.07 C ATOM 979 O GLY A 60 -22.032 0.484 -4.921 1.00 1.09 O ATOM 0 H GLY A 60 -22.139 -2.566 -2.171 1.00 1.15 H new ATOM 0 HA2 GLY A 60 -22.715 -1.967 -4.284 1.00 1.15 H new ATOM 0 HA3 GLY A 60 -24.047 -1.003 -3.677 1.00 1.15 H new ATOM 983 N LYS A 61 -21.677 0.633 -2.708 1.00 1.00 N ATOM 984 CA LYS A 61 -20.883 1.857 -2.789 1.00 0.95 C ATOM 985 C LYS A 61 -19.465 1.580 -3.317 1.00 0.80 C ATOM 986 O LYS A 61 -19.054 0.429 -3.420 1.00 0.77 O ATOM 987 CB LYS A 61 -20.796 2.536 -1.419 1.00 1.04 C ATOM 988 CG LYS A 61 -19.572 2.117 -0.624 1.00 1.55 C ATOM 989 CD LYS A 61 -19.364 2.988 0.595 1.00 2.06 C ATOM 990 CE LYS A 61 -19.281 4.466 0.236 1.00 2.55 C ATOM 991 NZ LYS A 61 -19.226 5.325 1.448 1.00 3.16 N ATOM 0 H LYS A 61 -21.802 0.280 -1.759 1.00 1.00 H new ATOM 0 HA LYS A 61 -21.387 2.522 -3.491 1.00 0.95 H new ATOM 0 HB2 LYS A 61 -20.780 3.617 -1.556 1.00 1.04 H new ATOM 0 HB3 LYS A 61 -21.693 2.300 -0.846 1.00 1.04 H new ATOM 0 HG2 LYS A 61 -19.680 1.078 -0.313 1.00 1.55 H new ATOM 0 HG3 LYS A 61 -18.690 2.169 -1.262 1.00 1.55 H new ATOM 0 HD2 LYS A 61 -20.184 2.831 1.296 1.00 2.06 H new ATOM 0 HD3 LYS A 61 -18.448 2.687 1.103 1.00 2.06 H new ATOM 0 HE2 LYS A 61 -18.396 4.643 -0.375 1.00 2.55 H new ATOM 0 HE3 LYS A 61 -20.146 4.743 -0.367 1.00 2.55 H new ATOM 0 HZ1 LYS A 61 -19.524 6.291 1.203 1.00 3.16 H new ATOM 0 HZ2 LYS A 61 -19.862 4.941 2.175 1.00 3.16 H new ATOM 0 HZ3 LYS A 61 -18.253 5.345 1.815 1.00 3.16 H new ATOM 1005 N PRO A 62 -18.723 2.656 -3.666 1.00 0.77 N ATOM 1006 CA PRO A 62 -17.331 2.658 -4.137 1.00 0.66 C ATOM 1007 C PRO A 62 -16.420 1.489 -3.775 1.00 0.58 C ATOM 1008 O PRO A 62 -15.638 1.044 -4.607 1.00 0.51 O ATOM 1009 CB PRO A 62 -16.867 3.850 -3.336 1.00 0.70 C ATOM 1010 CG PRO A 62 -17.927 4.856 -3.604 1.00 0.81 C ATOM 1011 CD PRO A 62 -19.209 4.050 -3.705 1.00 0.85 C ATOM 0 HA PRO A 62 -17.288 2.636 -5.226 1.00 0.66 H new ATOM 0 HB2 PRO A 62 -16.788 3.618 -2.274 1.00 0.70 H new ATOM 0 HB3 PRO A 62 -15.886 4.199 -3.660 1.00 0.70 H new ATOM 0 HG2 PRO A 62 -17.985 5.593 -2.803 1.00 0.81 H new ATOM 0 HG3 PRO A 62 -17.730 5.403 -4.526 1.00 0.81 H new ATOM 0 HD2 PRO A 62 -19.888 4.265 -2.880 1.00 0.85 H new ATOM 0 HD3 PRO A 62 -19.750 4.264 -4.627 1.00 0.85 H new ATOM 1019 N ASN A 63 -16.526 0.968 -2.581 1.00 0.64 N ATOM 1020 CA ASN A 63 -15.608 -0.074 -2.146 1.00 0.63 C ATOM 1021 C ASN A 63 -16.012 -1.379 -2.772 1.00 0.56 C ATOM 1022 O ASN A 63 -15.183 -2.214 -3.109 1.00 0.51 O ATOM 1023 CB ASN A 63 -15.618 -0.236 -0.636 1.00 0.79 C ATOM 1024 CG ASN A 63 -16.400 0.821 0.084 1.00 1.09 C ATOM 1025 OD1 ASN A 63 -16.316 2.017 -0.202 1.00 1.93 O ATOM 1026 ND2 ASN A 63 -17.186 0.373 1.025 1.00 1.06 N ATOM 0 H ASN A 63 -17.228 1.238 -1.892 1.00 0.64 H new ATOM 0 HA ASN A 63 -14.603 0.213 -2.455 1.00 0.63 H new ATOM 0 HB2 ASN A 63 -16.033 -1.213 -0.388 1.00 0.79 H new ATOM 0 HB3 ASN A 63 -14.590 -0.225 -0.273 1.00 0.79 H new ATOM 0 HD21 ASN A 63 -17.764 1.022 1.559 1.00 1.06 H new ATOM 0 HD22 ASN A 63 -17.222 -0.626 1.226 1.00 1.06 H new ATOM 1033 N TRP A 64 -17.304 -1.517 -2.931 1.00 0.61 N ATOM 1034 CA TRP A 64 -17.913 -2.675 -3.530 1.00 0.62 C ATOM 1035 C TRP A 64 -17.962 -2.449 -5.027 1.00 0.60 C ATOM 1036 O TRP A 64 -18.038 -3.382 -5.821 1.00 0.66 O ATOM 1037 CB TRP A 64 -19.305 -2.839 -2.946 1.00 0.78 C ATOM 1038 CG TRP A 64 -19.329 -2.534 -1.478 1.00 0.88 C ATOM 1039 CD1 TRP A 64 -19.880 -1.444 -0.876 1.00 1.00 C ATOM 1040 CD2 TRP A 64 -18.728 -3.301 -0.436 1.00 0.93 C ATOM 1041 NE1 TRP A 64 -19.677 -1.495 0.479 1.00 1.09 N ATOM 1042 CE2 TRP A 64 -18.965 -2.627 0.773 1.00 1.05 C ATOM 1043 CE3 TRP A 64 -18.018 -4.492 -0.406 1.00 0.96 C ATOM 1044 CZ2 TRP A 64 -18.509 -3.114 1.993 1.00 1.16 C ATOM 1045 CZ3 TRP A 64 -17.572 -4.964 0.805 1.00 1.10 C ATOM 1046 CH2 TRP A 64 -17.815 -4.277 1.987 1.00 1.18 C ATOM 0 H TRP A 64 -17.977 -0.809 -2.640 1.00 0.61 H new ATOM 0 HA TRP A 64 -17.347 -3.585 -3.328 1.00 0.62 H new ATOM 0 HB2 TRP A 64 -19.998 -2.178 -3.466 1.00 0.78 H new ATOM 0 HB3 TRP A 64 -19.651 -3.859 -3.112 1.00 0.78 H new ATOM 0 HD1 TRP A 64 -20.402 -0.652 -1.392 1.00 1.00 H new ATOM 0 HE1 TRP A 64 -20.002 -0.804 1.156 1.00 1.09 H new ATOM 0 HE3 TRP A 64 -17.820 -5.038 -1.317 1.00 0.96 H new ATOM 0 HZ2 TRP A 64 -18.702 -2.583 2.914 1.00 1.16 H new ATOM 0 HZ3 TRP A 64 -17.019 -5.891 0.838 1.00 1.10 H new ATOM 0 HH2 TRP A 64 -17.444 -4.677 2.919 1.00 1.18 H new ATOM 1057 N GLU A 65 -17.916 -1.170 -5.381 1.00 0.57 N ATOM 1058 CA GLU A 65 -17.724 -0.734 -6.750 1.00 0.55 C ATOM 1059 C GLU A 65 -16.391 -1.248 -7.286 1.00 0.48 C ATOM 1060 O GLU A 65 -16.330 -1.951 -8.294 1.00 0.51 O ATOM 1061 CB GLU A 65 -17.745 0.789 -6.807 1.00 0.59 C ATOM 1062 CG GLU A 65 -17.104 1.352 -8.063 1.00 0.69 C ATOM 1063 CD GLU A 65 -17.110 2.860 -8.093 1.00 1.11 C ATOM 1064 OE1 GLU A 65 -18.191 3.446 -8.297 1.00 1.59 O ATOM 1065 OE2 GLU A 65 -16.034 3.463 -7.912 1.00 1.28 O ATOM 0 H GLU A 65 -18.012 -0.403 -4.716 1.00 0.57 H new ATOM 0 HA GLU A 65 -18.530 -1.134 -7.366 1.00 0.55 H new ATOM 0 HB2 GLU A 65 -18.777 1.134 -6.749 1.00 0.59 H new ATOM 0 HB3 GLU A 65 -17.227 1.186 -5.934 1.00 0.59 H new ATOM 0 HG2 GLU A 65 -16.076 0.995 -8.133 1.00 0.69 H new ATOM 0 HG3 GLU A 65 -17.633 0.973 -8.937 1.00 0.69 H new ATOM 1072 N HIS A 66 -15.319 -0.883 -6.595 1.00 0.43 N ATOM 1073 CA HIS A 66 -13.980 -1.289 -6.989 1.00 0.38 C ATOM 1074 C HIS A 66 -13.576 -2.604 -6.336 1.00 0.36 C ATOM 1075 O HIS A 66 -12.446 -3.043 -6.487 1.00 0.35 O ATOM 1076 CB HIS A 66 -12.934 -0.198 -6.722 1.00 0.38 C ATOM 1077 CG HIS A 66 -12.888 0.341 -5.331 1.00 0.40 C ATOM 1078 ND1 HIS A 66 -12.961 1.686 -5.043 1.00 0.47 N ATOM 1079 CD2 HIS A 66 -12.704 -0.282 -4.153 1.00 0.40 C ATOM 1080 CE1 HIS A 66 -12.818 1.864 -3.743 1.00 0.52 C ATOM 1081 NE2 HIS A 66 -12.659 0.683 -3.174 1.00 0.47 N ATOM 0 H HIS A 66 -15.353 -0.304 -5.756 1.00 0.43 H new ATOM 0 HA HIS A 66 -14.012 -1.445 -8.067 1.00 0.38 H new ATOM 0 HB2 HIS A 66 -11.950 -0.598 -6.968 1.00 0.38 H new ATOM 0 HB3 HIS A 66 -13.120 0.631 -7.405 1.00 0.38 H new ATOM 0 HD2 HIS A 66 -12.609 -1.347 -4.003 1.00 0.40 H new ATOM 0 HE1 HIS A 66 -12.829 2.815 -3.231 1.00 0.52 H new ATOM 0 HE2 HIS A 66 -12.525 0.515 -2.177 1.00 0.47 H new ATOM 1090 N LEU A 67 -14.494 -3.215 -5.589 1.00 0.38 N ATOM 1091 CA LEU A 67 -14.275 -4.555 -5.026 1.00 0.40 C ATOM 1092 C LEU A 67 -13.954 -5.519 -6.153 1.00 0.41 C ATOM 1093 O LEU A 67 -13.281 -6.533 -5.969 1.00 0.43 O ATOM 1094 CB LEU A 67 -15.541 -5.020 -4.277 1.00 0.48 C ATOM 1095 CG LEU A 67 -15.509 -6.415 -3.623 1.00 0.71 C ATOM 1096 CD1 LEU A 67 -16.582 -6.510 -2.558 1.00 1.01 C ATOM 1097 CD2 LEU A 67 -15.741 -7.524 -4.641 1.00 1.59 C ATOM 0 H LEU A 67 -15.399 -2.806 -5.357 1.00 0.38 H new ATOM 0 HA LEU A 67 -13.443 -4.527 -4.323 1.00 0.40 H new ATOM 0 HB2 LEU A 67 -15.759 -4.289 -3.499 1.00 0.48 H new ATOM 0 HB3 LEU A 67 -16.375 -4.997 -4.979 1.00 0.48 H new ATOM 0 HG LEU A 67 -14.519 -6.544 -3.185 1.00 0.71 H new ATOM 0 HD11 LEU A 67 -16.554 -7.499 -2.100 1.00 1.01 H new ATOM 0 HD12 LEU A 67 -16.406 -5.752 -1.795 1.00 1.01 H new ATOM 0 HD13 LEU A 67 -17.560 -6.348 -3.011 1.00 1.01 H new ATOM 0 HD21 LEU A 67 -15.711 -8.491 -4.139 1.00 1.59 H new ATOM 0 HD22 LEU A 67 -16.716 -7.389 -5.110 1.00 1.59 H new ATOM 0 HD23 LEU A 67 -14.963 -7.487 -5.404 1.00 1.59 H new ATOM 1109 N ASN A 68 -14.399 -5.140 -7.332 1.00 0.43 N ATOM 1110 CA ASN A 68 -14.314 -5.979 -8.510 1.00 0.47 C ATOM 1111 C ASN A 68 -12.960 -5.788 -9.190 1.00 0.44 C ATOM 1112 O ASN A 68 -12.714 -6.293 -10.287 1.00 0.52 O ATOM 1113 CB ASN A 68 -15.477 -5.629 -9.445 1.00 0.57 C ATOM 1114 CG ASN A 68 -16.804 -5.621 -8.693 1.00 0.84 C ATOM 1115 OD1 ASN A 68 -17.490 -6.640 -8.615 1.00 1.86 O ATOM 1116 ND2 ASN A 68 -17.171 -4.464 -8.138 1.00 0.58 N ATOM 0 H ASN A 68 -14.834 -4.233 -7.502 1.00 0.43 H new ATOM 0 HA ASN A 68 -14.392 -7.031 -8.237 1.00 0.47 H new ATOM 0 HB2 ASN A 68 -15.304 -4.651 -9.894 1.00 0.57 H new ATOM 0 HB3 ASN A 68 -15.522 -6.351 -10.260 1.00 0.57 H new ATOM 0 HD21 ASN A 68 -18.050 -4.401 -7.625 1.00 0.58 H new ATOM 0 HD22 ASN A 68 -16.572 -3.643 -8.227 1.00 0.58 H new ATOM 1123 N GLU A 69 -12.090 -5.046 -8.513 1.00 0.37 N ATOM 1124 CA GLU A 69 -10.713 -4.855 -8.942 1.00 0.37 C ATOM 1125 C GLU A 69 -9.781 -5.713 -8.089 1.00 0.32 C ATOM 1126 O GLU A 69 -10.233 -6.496 -7.248 1.00 0.35 O ATOM 1127 CB GLU A 69 -10.303 -3.386 -8.784 1.00 0.38 C ATOM 1128 CG GLU A 69 -11.163 -2.395 -9.555 1.00 0.45 C ATOM 1129 CD GLU A 69 -10.597 -0.985 -9.514 1.00 1.07 C ATOM 1130 OE1 GLU A 69 -10.575 -0.373 -8.428 1.00 1.85 O ATOM 1131 OE2 GLU A 69 -10.154 -0.484 -10.569 1.00 1.39 O ATOM 0 H GLU A 69 -12.323 -4.559 -7.648 1.00 0.37 H new ATOM 0 HA GLU A 69 -10.638 -5.145 -9.990 1.00 0.37 H new ATOM 0 HB2 GLU A 69 -10.335 -3.127 -7.726 1.00 0.38 H new ATOM 0 HB3 GLU A 69 -9.268 -3.276 -9.108 1.00 0.38 H new ATOM 0 HG2 GLU A 69 -11.247 -2.720 -10.592 1.00 0.45 H new ATOM 0 HG3 GLU A 69 -12.171 -2.392 -9.139 1.00 0.45 H new ATOM 1138 N ASP A 70 -8.484 -5.556 -8.296 1.00 0.32 N ATOM 1139 CA ASP A 70 -7.494 -6.173 -7.429 1.00 0.30 C ATOM 1140 C ASP A 70 -6.912 -5.124 -6.511 1.00 0.22 C ATOM 1141 O ASP A 70 -6.753 -3.970 -6.912 1.00 0.24 O ATOM 1142 CB ASP A 70 -6.382 -6.851 -8.214 1.00 0.41 C ATOM 1143 CG ASP A 70 -5.504 -7.702 -7.321 1.00 0.63 C ATOM 1144 OD1 ASP A 70 -6.062 -8.428 -6.468 1.00 1.10 O ATOM 1145 OD2 ASP A 70 -4.265 -7.662 -7.479 1.00 1.21 O ATOM 0 H ASP A 70 -8.091 -5.005 -9.059 1.00 0.32 H new ATOM 0 HA ASP A 70 -7.995 -6.947 -6.848 1.00 0.30 H new ATOM 0 HB2 ASP A 70 -6.816 -7.473 -8.997 1.00 0.41 H new ATOM 0 HB3 ASP A 70 -5.773 -6.095 -8.709 1.00 0.41 H new ATOM 1150 N LEU A 71 -6.624 -5.522 -5.283 1.00 0.19 N ATOM 1151 CA LEU A 71 -6.253 -4.586 -4.236 1.00 0.17 C ATOM 1152 C LEU A 71 -5.096 -3.677 -4.644 1.00 0.17 C ATOM 1153 O LEU A 71 -4.002 -4.119 -4.977 1.00 0.20 O ATOM 1154 CB LEU A 71 -5.908 -5.337 -2.952 1.00 0.19 C ATOM 1155 CG LEU A 71 -5.645 -4.447 -1.741 1.00 0.41 C ATOM 1156 CD1 LEU A 71 -6.728 -3.391 -1.629 1.00 0.90 C ATOM 1157 CD2 LEU A 71 -5.595 -5.279 -0.471 1.00 0.79 C ATOM 0 H LEU A 71 -6.641 -6.497 -4.985 1.00 0.19 H new ATOM 0 HA LEU A 71 -7.117 -3.944 -4.061 1.00 0.17 H new ATOM 0 HB2 LEU A 71 -6.726 -6.017 -2.715 1.00 0.19 H new ATOM 0 HB3 LEU A 71 -5.026 -5.951 -3.133 1.00 0.19 H new ATOM 0 HG LEU A 71 -4.681 -3.956 -1.872 1.00 0.41 H new ATOM 0 HD11 LEU A 71 -6.533 -2.760 -0.762 1.00 0.90 H new ATOM 0 HD12 LEU A 71 -6.733 -2.778 -2.530 1.00 0.90 H new ATOM 0 HD13 LEU A 71 -7.698 -3.875 -1.514 1.00 0.90 H new ATOM 0 HD21 LEU A 71 -5.407 -4.628 0.383 1.00 0.79 H new ATOM 0 HD22 LEU A 71 -6.547 -5.791 -0.334 1.00 0.79 H new ATOM 0 HD23 LEU A 71 -4.795 -6.015 -0.550 1.00 0.79 H new ATOM 1169 N HIS A 72 -5.378 -2.396 -4.667 1.00 0.17 N ATOM 1170 CA HIS A 72 -4.360 -1.394 -4.876 1.00 0.17 C ATOM 1171 C HIS A 72 -4.721 -0.149 -4.089 1.00 0.17 C ATOM 1172 O HIS A 72 -5.865 -0.002 -3.657 1.00 0.21 O ATOM 1173 CB HIS A 72 -4.189 -1.079 -6.365 1.00 0.20 C ATOM 1174 CG HIS A 72 -5.430 -0.612 -7.067 1.00 0.23 C ATOM 1175 ND1 HIS A 72 -6.334 -1.479 -7.638 1.00 0.29 N ATOM 1176 CD2 HIS A 72 -5.892 0.636 -7.332 1.00 0.25 C ATOM 1177 CE1 HIS A 72 -7.288 -0.795 -8.230 1.00 0.32 C ATOM 1178 NE2 HIS A 72 -7.050 0.491 -8.063 1.00 0.29 N ATOM 0 H HIS A 72 -6.318 -2.019 -4.542 1.00 0.17 H new ATOM 0 HA HIS A 72 -3.403 -1.777 -4.521 1.00 0.17 H new ATOM 0 HB2 HIS A 72 -3.421 -0.313 -6.472 1.00 0.20 H new ATOM 0 HB3 HIS A 72 -3.821 -1.973 -6.869 1.00 0.20 H new ATOM 0 HD1 HIS A 72 -6.273 -2.497 -7.607 1.00 0.29 H new ATOM 0 HD2 HIS A 72 -5.437 1.567 -7.027 1.00 0.25 H new ATOM 0 HE1 HIS A 72 -8.127 -1.216 -8.764 1.00 0.32 H new ATOM 1187 N VAL A 73 -3.774 0.748 -3.917 1.00 0.19 N ATOM 1188 CA VAL A 73 -4.040 1.968 -3.177 1.00 0.19 C ATOM 1189 C VAL A 73 -4.151 3.120 -4.152 1.00 0.20 C ATOM 1190 O VAL A 73 -3.408 3.185 -5.131 1.00 0.28 O ATOM 1191 CB VAL A 73 -2.967 2.266 -2.104 1.00 0.23 C ATOM 1192 CG1 VAL A 73 -2.996 1.206 -1.013 1.00 0.27 C ATOM 1193 CG2 VAL A 73 -1.580 2.358 -2.717 1.00 0.29 C ATOM 0 H VAL A 73 -2.823 0.660 -4.274 1.00 0.19 H new ATOM 0 HA VAL A 73 -4.979 1.836 -2.639 1.00 0.19 H new ATOM 0 HB VAL A 73 -3.201 3.234 -1.660 1.00 0.23 H new ATOM 0 HG11 VAL A 73 -2.235 1.431 -0.266 1.00 0.27 H new ATOM 0 HG12 VAL A 73 -3.978 1.198 -0.539 1.00 0.27 H new ATOM 0 HG13 VAL A 73 -2.797 0.228 -1.451 1.00 0.27 H new ATOM 0 HG21 VAL A 73 -0.850 2.568 -1.935 1.00 0.29 H new ATOM 0 HG22 VAL A 73 -1.332 1.413 -3.200 1.00 0.29 H new ATOM 0 HG23 VAL A 73 -1.561 3.159 -3.456 1.00 0.29 H new ATOM 1203 N LEU A 74 -5.108 3.993 -3.926 1.00 0.18 N ATOM 1204 CA LEU A 74 -5.375 5.055 -4.868 1.00 0.18 C ATOM 1205 C LEU A 74 -5.554 6.374 -4.172 1.00 0.18 C ATOM 1206 O LEU A 74 -6.489 6.567 -3.402 1.00 0.19 O ATOM 1207 CB LEU A 74 -6.617 4.703 -5.692 1.00 0.22 C ATOM 1208 CG LEU A 74 -6.862 5.547 -6.942 1.00 0.37 C ATOM 1209 CD1 LEU A 74 -7.760 4.797 -7.907 1.00 1.10 C ATOM 1210 CD2 LEU A 74 -7.501 6.873 -6.582 1.00 0.80 C ATOM 0 H LEU A 74 -5.711 3.988 -3.103 1.00 0.18 H new ATOM 0 HA LEU A 74 -4.517 5.155 -5.533 1.00 0.18 H new ATOM 0 HB2 LEU A 74 -6.542 3.658 -5.994 1.00 0.22 H new ATOM 0 HB3 LEU A 74 -7.491 4.787 -5.046 1.00 0.22 H new ATOM 0 HG LEU A 74 -5.899 5.741 -7.415 1.00 0.37 H new ATOM 0 HD11 LEU A 74 -7.929 5.406 -8.795 1.00 1.10 H new ATOM 0 HD12 LEU A 74 -7.283 3.860 -8.195 1.00 1.10 H new ATOM 0 HD13 LEU A 74 -8.715 4.585 -7.425 1.00 1.10 H new ATOM 0 HD21 LEU A 74 -7.665 7.456 -7.488 1.00 0.80 H new ATOM 0 HD22 LEU A 74 -8.456 6.694 -6.087 1.00 0.80 H new ATOM 0 HD23 LEU A 74 -6.842 7.424 -5.911 1.00 0.80 H new ATOM 1222 N ILE A 75 -4.651 7.278 -4.457 1.00 0.19 N ATOM 1223 CA ILE A 75 -4.792 8.636 -4.007 1.00 0.18 C ATOM 1224 C ILE A 75 -5.678 9.394 -4.975 1.00 0.18 C ATOM 1225 O ILE A 75 -5.290 9.684 -6.107 1.00 0.21 O ATOM 1226 CB ILE A 75 -3.422 9.333 -3.886 1.00 0.21 C ATOM 1227 CG1 ILE A 75 -2.446 8.748 -4.908 1.00 0.27 C ATOM 1228 CG2 ILE A 75 -2.879 9.214 -2.472 1.00 0.22 C ATOM 1229 CD1 ILE A 75 -1.191 9.562 -5.094 1.00 0.30 C ATOM 0 H ILE A 75 -3.808 7.095 -5.001 1.00 0.19 H new ATOM 0 HA ILE A 75 -5.248 8.627 -3.017 1.00 0.18 H new ATOM 0 HB ILE A 75 -3.546 10.395 -4.100 1.00 0.21 H new ATOM 0 HG12 ILE A 75 -2.170 7.741 -4.596 1.00 0.27 H new ATOM 0 HG13 ILE A 75 -2.953 8.657 -5.868 1.00 0.27 H new ATOM 0 HG21 ILE A 75 -1.912 9.713 -2.410 1.00 0.22 H new ATOM 0 HG22 ILE A 75 -3.574 9.682 -1.775 1.00 0.22 H new ATOM 0 HG23 ILE A 75 -2.761 8.161 -2.215 1.00 0.22 H new ATOM 0 HD11 ILE A 75 -0.552 9.081 -5.834 1.00 0.30 H new ATOM 0 HD12 ILE A 75 -1.454 10.563 -5.437 1.00 0.30 H new ATOM 0 HD13 ILE A 75 -0.659 9.632 -4.145 1.00 0.30 H new ATOM 1241 N THR A 76 -6.882 9.676 -4.524 1.00 0.17 N ATOM 1242 CA THR A 76 -7.841 10.429 -5.303 1.00 0.20 C ATOM 1243 C THR A 76 -7.920 11.859 -4.809 1.00 0.19 C ATOM 1244 O THR A 76 -8.332 12.111 -3.680 1.00 0.22 O ATOM 1245 CB THR A 76 -9.240 9.813 -5.180 1.00 0.24 C ATOM 1246 OG1 THR A 76 -9.162 8.533 -4.540 1.00 0.25 O ATOM 1247 CG2 THR A 76 -9.865 9.657 -6.539 1.00 0.31 C ATOM 0 H THR A 76 -7.223 9.389 -3.607 1.00 0.17 H new ATOM 0 HA THR A 76 -7.510 10.405 -6.341 1.00 0.20 H new ATOM 0 HB THR A 76 -9.857 10.480 -4.578 1.00 0.24 H new ATOM 0 HG1 THR A 76 -9.304 8.640 -3.576 1.00 0.25 H new ATOM 0 HG21 THR A 76 -10.857 9.219 -6.435 1.00 0.31 H new ATOM 0 HG22 THR A 76 -9.948 10.634 -7.016 1.00 0.31 H new ATOM 0 HG23 THR A 76 -9.243 9.005 -7.153 1.00 0.31 H new ATOM 1255 N VAL A 77 -7.520 12.794 -5.638 1.00 0.23 N ATOM 1256 CA VAL A 77 -7.615 14.187 -5.275 1.00 0.25 C ATOM 1257 C VAL A 77 -8.544 14.916 -6.236 1.00 0.33 C ATOM 1258 O VAL A 77 -8.433 14.776 -7.459 1.00 0.44 O ATOM 1259 CB VAL A 77 -6.222 14.859 -5.261 1.00 0.35 C ATOM 1260 CG1 VAL A 77 -5.638 14.966 -6.658 1.00 0.75 C ATOM 1261 CG2 VAL A 77 -6.277 16.220 -4.592 1.00 0.86 C ATOM 0 H VAL A 77 -7.128 12.617 -6.563 1.00 0.23 H new ATOM 0 HA VAL A 77 -8.026 14.247 -4.267 1.00 0.25 H new ATOM 0 HB VAL A 77 -5.560 14.220 -4.676 1.00 0.35 H new ATOM 0 HG11 VAL A 77 -4.659 15.443 -6.608 1.00 0.75 H new ATOM 0 HG12 VAL A 77 -5.534 13.969 -7.086 1.00 0.75 H new ATOM 0 HG13 VAL A 77 -6.301 15.563 -7.285 1.00 0.75 H new ATOM 0 HG21 VAL A 77 -5.283 16.668 -4.597 1.00 0.86 H new ATOM 0 HG22 VAL A 77 -6.969 16.864 -5.135 1.00 0.86 H new ATOM 0 HG23 VAL A 77 -6.619 16.106 -3.563 1.00 0.86 H new ATOM 1271 N GLU A 78 -9.496 15.651 -5.689 1.00 0.37 N ATOM 1272 CA GLU A 78 -10.369 16.456 -6.514 1.00 0.50 C ATOM 1273 C GLU A 78 -9.938 17.913 -6.445 1.00 0.63 C ATOM 1274 O GLU A 78 -10.386 18.660 -5.574 1.00 0.77 O ATOM 1275 CB GLU A 78 -11.829 16.309 -6.073 1.00 0.63 C ATOM 1276 CG GLU A 78 -12.394 14.910 -6.285 1.00 0.62 C ATOM 1277 CD GLU A 78 -13.898 14.849 -6.090 1.00 1.09 C ATOM 1278 OE1 GLU A 78 -14.645 15.337 -6.964 1.00 1.55 O ATOM 1279 OE2 GLU A 78 -14.344 14.307 -5.056 1.00 1.63 O ATOM 0 H GLU A 78 -9.681 15.705 -4.687 1.00 0.37 H new ATOM 0 HA GLU A 78 -10.294 16.108 -7.544 1.00 0.50 H new ATOM 0 HB2 GLU A 78 -11.908 16.567 -5.017 1.00 0.63 H new ATOM 0 HB3 GLU A 78 -12.439 17.025 -6.623 1.00 0.63 H new ATOM 0 HG2 GLU A 78 -12.148 14.572 -7.292 1.00 0.62 H new ATOM 0 HG3 GLU A 78 -11.914 14.220 -5.591 1.00 0.62 H new ATOM 1286 N ASP A 79 -9.067 18.293 -7.378 1.00 0.66 N ATOM 1287 CA ASP A 79 -8.535 19.652 -7.473 1.00 0.84 C ATOM 1288 C ASP A 79 -7.431 19.681 -8.528 1.00 0.75 C ATOM 1289 O ASP A 79 -6.937 18.628 -8.945 1.00 1.08 O ATOM 1290 CB ASP A 79 -7.974 20.132 -6.126 1.00 1.20 C ATOM 1291 CG ASP A 79 -7.817 21.639 -6.072 1.00 1.67 C ATOM 1292 OD1 ASP A 79 -6.809 22.156 -6.595 1.00 1.81 O ATOM 1293 OD2 ASP A 79 -8.691 22.311 -5.488 1.00 2.05 O ATOM 0 H ASP A 79 -8.708 17.662 -8.095 1.00 0.66 H new ATOM 0 HA ASP A 79 -9.347 20.322 -7.755 1.00 0.84 H new ATOM 0 HB2 ASP A 79 -8.637 19.809 -5.323 1.00 1.20 H new ATOM 0 HB3 ASP A 79 -7.007 19.662 -5.949 1.00 1.20 H new ATOM 1298 N ALA A 80 -7.057 20.871 -8.969 1.00 0.91 N ATOM 1299 CA ALA A 80 -6.044 21.025 -10.001 1.00 1.17 C ATOM 1300 C ALA A 80 -4.675 21.389 -9.419 1.00 1.09 C ATOM 1301 O ALA A 80 -3.660 21.296 -10.114 1.00 1.60 O ATOM 1302 CB ALA A 80 -6.488 22.075 -11.007 1.00 1.85 C ATOM 0 H ALA A 80 -7.443 21.751 -8.626 1.00 0.91 H new ATOM 0 HA ALA A 80 -5.933 20.063 -10.502 1.00 1.17 H new ATOM 0 HB1 ALA A 80 -5.725 22.186 -11.778 1.00 1.85 H new ATOM 0 HB2 ALA A 80 -7.426 21.764 -11.467 1.00 1.85 H new ATOM 0 HB3 ALA A 80 -6.631 23.028 -10.498 1.00 1.85 H new ATOM 1308 N GLN A 81 -4.645 21.801 -8.154 1.00 1.04 N ATOM 1309 CA GLN A 81 -3.417 22.305 -7.536 1.00 1.65 C ATOM 1310 C GLN A 81 -2.342 21.229 -7.403 1.00 0.98 C ATOM 1311 O GLN A 81 -2.586 20.132 -6.884 1.00 0.75 O ATOM 1312 CB GLN A 81 -3.699 22.898 -6.153 1.00 2.75 C ATOM 1313 CG GLN A 81 -4.564 24.149 -6.180 1.00 3.72 C ATOM 1314 CD GLN A 81 -4.701 24.801 -4.814 1.00 4.69 C ATOM 1315 OE1 GLN A 81 -3.789 24.745 -3.986 1.00 5.14 O ATOM 1316 NE2 GLN A 81 -5.850 25.406 -4.562 1.00 5.39 N ATOM 0 H GLN A 81 -5.456 21.797 -7.535 1.00 1.04 H new ATOM 0 HA GLN A 81 -3.043 23.082 -8.203 1.00 1.65 H new ATOM 0 HB2 GLN A 81 -4.189 22.143 -5.539 1.00 2.75 H new ATOM 0 HB3 GLN A 81 -2.751 23.135 -5.670 1.00 2.75 H new ATOM 0 HG2 GLN A 81 -4.134 24.867 -6.879 1.00 3.72 H new ATOM 0 HG3 GLN A 81 -5.554 23.892 -6.556 1.00 3.72 H new ATOM 0 HE21 GLN A 81 -6.580 25.431 -5.274 1.00 5.39 H new ATOM 0 HE22 GLN A 81 -6.006 25.848 -3.656 1.00 5.39 H new ATOM 1325 N ASN A 82 -1.144 21.567 -7.869 1.00 0.84 N ATOM 1326 CA ASN A 82 0.032 20.733 -7.668 1.00 0.71 C ATOM 1327 C ASN A 82 0.313 20.574 -6.179 1.00 0.59 C ATOM 1328 O ASN A 82 0.784 19.534 -5.737 1.00 0.56 O ATOM 1329 CB ASN A 82 1.246 21.341 -8.383 1.00 1.13 C ATOM 1330 CG ASN A 82 2.571 20.769 -7.905 1.00 1.74 C ATOM 1331 OD1 ASN A 82 3.207 21.322 -7.004 1.00 2.48 O ATOM 1332 ND2 ASN A 82 2.995 19.666 -8.499 1.00 2.28 N ATOM 0 H ASN A 82 -0.963 22.423 -8.394 1.00 0.84 H new ATOM 0 HA ASN A 82 -0.159 19.748 -8.093 1.00 0.71 H new ATOM 0 HB2 ASN A 82 1.150 21.172 -9.455 1.00 1.13 H new ATOM 0 HB3 ASN A 82 1.247 22.420 -8.230 1.00 1.13 H new ATOM 0 HD21 ASN A 82 3.878 19.241 -8.216 1.00 2.28 H new ATOM 0 HD22 ASN A 82 2.439 19.240 -9.240 1.00 2.28 H new ATOM 1339 N ARG A 83 -0.002 21.611 -5.408 1.00 0.65 N ATOM 1340 CA ARG A 83 0.148 21.564 -3.956 1.00 0.63 C ATOM 1341 C ARG A 83 -0.633 20.394 -3.366 1.00 0.46 C ATOM 1342 O ARG A 83 -0.180 19.748 -2.422 1.00 0.43 O ATOM 1343 CB ARG A 83 -0.325 22.873 -3.326 1.00 0.81 C ATOM 1344 CG ARG A 83 0.559 24.057 -3.663 1.00 1.66 C ATOM 1345 CD ARG A 83 0.014 25.343 -3.071 1.00 2.10 C ATOM 1346 NE ARG A 83 0.911 26.469 -3.309 1.00 2.64 N ATOM 1347 CZ ARG A 83 0.712 27.697 -2.837 1.00 3.34 C ATOM 1348 NH1 ARG A 83 -0.402 27.993 -2.180 1.00 3.68 N ATOM 1349 NH2 ARG A 83 1.629 28.633 -3.036 1.00 4.17 N ATOM 0 H ARG A 83 -0.363 22.496 -5.765 1.00 0.65 H new ATOM 0 HA ARG A 83 1.206 21.424 -3.733 1.00 0.63 H new ATOM 0 HB2 ARG A 83 -1.342 23.082 -3.659 1.00 0.81 H new ATOM 0 HB3 ARG A 83 -0.363 22.754 -2.243 1.00 0.81 H new ATOM 0 HG2 ARG A 83 1.566 23.880 -3.286 1.00 1.66 H new ATOM 0 HG3 ARG A 83 0.637 24.158 -4.746 1.00 1.66 H new ATOM 0 HD2 ARG A 83 -0.963 25.558 -3.504 1.00 2.10 H new ATOM 0 HD3 ARG A 83 -0.134 25.216 -1.999 1.00 2.10 H new ATOM 0 HE ARG A 83 1.744 26.304 -3.874 1.00 2.64 H new ATOM 0 HH11 ARG A 83 -1.113 27.277 -2.034 1.00 3.68 H new ATOM 0 HH12 ARG A 83 -0.547 28.937 -1.821 1.00 3.68 H new ATOM 0 HH21 ARG A 83 2.482 28.410 -3.549 1.00 4.17 H new ATOM 0 HH22 ARG A 83 1.482 29.576 -2.676 1.00 4.17 H new ATOM 1363 N ALA A 84 -1.794 20.112 -3.943 1.00 0.43 N ATOM 1364 CA ALA A 84 -2.634 19.031 -3.458 1.00 0.38 C ATOM 1365 C ALA A 84 -2.013 17.686 -3.784 1.00 0.29 C ATOM 1366 O ALA A 84 -1.812 16.856 -2.896 1.00 0.35 O ATOM 1367 CB ALA A 84 -4.034 19.122 -4.047 1.00 0.49 C ATOM 0 H ALA A 84 -2.172 20.616 -4.745 1.00 0.43 H new ATOM 0 HA ALA A 84 -2.712 19.127 -2.375 1.00 0.38 H new ATOM 0 HB1 ALA A 84 -4.642 18.301 -3.668 1.00 0.49 H new ATOM 0 HB2 ALA A 84 -4.488 20.071 -3.762 1.00 0.49 H new ATOM 0 HB3 ALA A 84 -3.976 19.059 -5.134 1.00 0.49 H new ATOM 1373 N GLU A 85 -1.692 17.477 -5.057 1.00 0.25 N ATOM 1374 CA GLU A 85 -1.091 16.217 -5.482 1.00 0.26 C ATOM 1375 C GLU A 85 0.272 16.010 -4.821 1.00 0.28 C ATOM 1376 O GLU A 85 0.664 14.884 -4.545 1.00 0.34 O ATOM 1377 CB GLU A 85 -0.970 16.139 -7.002 1.00 0.34 C ATOM 1378 CG GLU A 85 -0.106 17.235 -7.604 1.00 0.49 C ATOM 1379 CD GLU A 85 0.328 16.942 -9.022 1.00 0.79 C ATOM 1380 OE1 GLU A 85 -0.553 16.846 -9.901 1.00 1.24 O ATOM 1381 OE2 GLU A 85 1.540 16.813 -9.268 1.00 1.31 O ATOM 0 H GLU A 85 -1.836 18.155 -5.805 1.00 0.25 H new ATOM 0 HA GLU A 85 -1.754 15.414 -5.159 1.00 0.26 H new ATOM 0 HB2 GLU A 85 -0.554 15.169 -7.275 1.00 0.34 H new ATOM 0 HB3 GLU A 85 -1.967 16.193 -7.440 1.00 0.34 H new ATOM 0 HG2 GLU A 85 -0.659 18.174 -7.587 1.00 0.49 H new ATOM 0 HG3 GLU A 85 0.778 17.374 -6.982 1.00 0.49 H new ATOM 1388 N LEU A 86 0.986 17.096 -4.559 1.00 0.30 N ATOM 1389 CA LEU A 86 2.275 17.017 -3.881 1.00 0.36 C ATOM 1390 C LEU A 86 2.098 16.508 -2.454 1.00 0.28 C ATOM 1391 O LEU A 86 2.904 15.723 -1.947 1.00 0.28 O ATOM 1392 CB LEU A 86 2.945 18.389 -3.851 1.00 0.47 C ATOM 1393 CG LEU A 86 4.409 18.386 -3.397 1.00 0.73 C ATOM 1394 CD1 LEU A 86 5.273 17.589 -4.362 1.00 1.45 C ATOM 1395 CD2 LEU A 86 4.932 19.806 -3.265 1.00 1.47 C ATOM 0 H LEU A 86 0.696 18.042 -4.805 1.00 0.30 H new ATOM 0 HA LEU A 86 2.906 16.321 -4.433 1.00 0.36 H new ATOM 0 HB2 LEU A 86 2.891 18.825 -4.849 1.00 0.47 H new ATOM 0 HB3 LEU A 86 2.376 19.040 -3.187 1.00 0.47 H new ATOM 0 HG LEU A 86 4.459 17.908 -2.419 1.00 0.73 H new ATOM 0 HD11 LEU A 86 6.308 17.601 -4.019 1.00 1.45 H new ATOM 0 HD12 LEU A 86 4.917 16.560 -4.404 1.00 1.45 H new ATOM 0 HD13 LEU A 86 5.215 18.034 -5.355 1.00 1.45 H new ATOM 0 HD21 LEU A 86 5.973 19.782 -2.942 1.00 1.47 H new ATOM 0 HD22 LEU A 86 4.863 20.310 -4.229 1.00 1.47 H new ATOM 0 HD23 LEU A 86 4.336 20.346 -2.529 1.00 1.47 H new ATOM 1407 N LYS A 87 1.041 16.966 -1.810 1.00 0.24 N ATOM 1408 CA LYS A 87 0.765 16.595 -0.437 1.00 0.22 C ATOM 1409 C LYS A 87 0.337 15.127 -0.350 1.00 0.18 C ATOM 1410 O LYS A 87 0.768 14.391 0.540 1.00 0.20 O ATOM 1411 CB LYS A 87 -0.316 17.514 0.129 1.00 0.27 C ATOM 1412 CG LYS A 87 -0.233 17.719 1.631 1.00 0.29 C ATOM 1413 CD LYS A 87 -1.235 18.762 2.097 1.00 0.75 C ATOM 1414 CE LYS A 87 -1.110 19.037 3.585 1.00 1.40 C ATOM 1415 NZ LYS A 87 0.217 19.605 3.941 1.00 1.74 N ATOM 0 H LYS A 87 0.356 17.600 -2.220 1.00 0.24 H new ATOM 0 HA LYS A 87 1.672 16.710 0.156 1.00 0.22 H new ATOM 0 HB2 LYS A 87 -0.247 18.484 -0.363 1.00 0.27 H new ATOM 0 HB3 LYS A 87 -1.294 17.101 -0.117 1.00 0.27 H new ATOM 0 HG2 LYS A 87 -0.423 16.775 2.141 1.00 0.29 H new ATOM 0 HG3 LYS A 87 0.775 18.031 1.903 1.00 0.29 H new ATOM 0 HD2 LYS A 87 -1.081 19.687 1.542 1.00 0.75 H new ATOM 0 HD3 LYS A 87 -2.246 18.421 1.874 1.00 0.75 H new ATOM 0 HE2 LYS A 87 -1.894 19.729 3.892 1.00 1.40 H new ATOM 0 HE3 LYS A 87 -1.268 18.111 4.138 1.00 1.40 H new ATOM 0 HZ1 LYS A 87 0.181 19.995 4.905 1.00 1.74 H new ATOM 0 HZ2 LYS A 87 0.938 18.857 3.897 1.00 1.74 H new ATOM 0 HZ3 LYS A 87 0.462 20.362 3.271 1.00 1.74 H new ATOM 1429 N LEU A 88 -0.506 14.699 -1.282 1.00 0.19 N ATOM 1430 CA LEU A 88 -0.959 13.313 -1.310 1.00 0.21 C ATOM 1431 C LEU A 88 0.162 12.367 -1.723 1.00 0.21 C ATOM 1432 O LEU A 88 0.286 11.283 -1.161 1.00 0.22 O ATOM 1433 CB LEU A 88 -2.176 13.152 -2.227 1.00 0.30 C ATOM 1434 CG LEU A 88 -2.045 13.765 -3.622 1.00 0.54 C ATOM 1435 CD1 LEU A 88 -1.514 12.757 -4.617 1.00 1.09 C ATOM 1436 CD2 LEU A 88 -3.371 14.305 -4.099 1.00 1.33 C ATOM 0 H LEU A 88 -0.888 15.286 -2.023 1.00 0.19 H new ATOM 0 HA LEU A 88 -1.259 13.046 -0.297 1.00 0.21 H new ATOM 0 HB2 LEU A 88 -2.386 12.088 -2.337 1.00 0.30 H new ATOM 0 HB3 LEU A 88 -3.040 13.598 -1.734 1.00 0.30 H new ATOM 0 HG LEU A 88 -1.334 14.588 -3.550 1.00 0.54 H new ATOM 0 HD11 LEU A 88 -1.432 13.223 -5.599 1.00 1.09 H new ATOM 0 HD12 LEU A 88 -0.531 12.412 -4.296 1.00 1.09 H new ATOM 0 HD13 LEU A 88 -2.195 11.908 -4.674 1.00 1.09 H new ATOM 0 HD21 LEU A 88 -3.252 14.736 -5.093 1.00 1.33 H new ATOM 0 HD22 LEU A 88 -4.100 13.496 -4.139 1.00 1.33 H new ATOM 0 HD23 LEU A 88 -3.720 15.074 -3.410 1.00 1.33 H new ATOM 1448 N LYS A 89 0.991 12.780 -2.681 1.00 0.26 N ATOM 1449 CA LYS A 89 2.040 11.906 -3.191 1.00 0.31 C ATOM 1450 C LYS A 89 3.082 11.630 -2.116 1.00 0.29 C ATOM 1451 O LYS A 89 3.591 10.524 -2.020 1.00 0.30 O ATOM 1452 CB LYS A 89 2.684 12.470 -4.478 1.00 0.41 C ATOM 1453 CG LYS A 89 3.437 13.790 -4.319 1.00 0.47 C ATOM 1454 CD LYS A 89 4.872 13.602 -3.835 1.00 0.90 C ATOM 1455 CE LYS A 89 5.742 12.925 -4.883 1.00 1.05 C ATOM 1456 NZ LYS A 89 7.131 12.705 -4.395 1.00 2.07 N ATOM 0 H LYS A 89 0.956 13.703 -3.114 1.00 0.26 H new ATOM 0 HA LYS A 89 1.578 10.957 -3.462 1.00 0.31 H new ATOM 0 HB2 LYS A 89 3.374 11.725 -4.874 1.00 0.41 H new ATOM 0 HB3 LYS A 89 1.901 12.607 -5.224 1.00 0.41 H new ATOM 0 HG2 LYS A 89 3.447 14.314 -5.275 1.00 0.47 H new ATOM 0 HG3 LYS A 89 2.901 14.425 -3.613 1.00 0.47 H new ATOM 0 HD2 LYS A 89 5.299 14.572 -3.581 1.00 0.90 H new ATOM 0 HD3 LYS A 89 4.872 13.005 -2.923 1.00 0.90 H new ATOM 0 HE2 LYS A 89 5.299 11.968 -5.159 1.00 1.05 H new ATOM 0 HE3 LYS A 89 5.767 13.537 -5.784 1.00 1.05 H new ATOM 0 HZ1 LYS A 89 7.621 12.042 -5.029 1.00 2.07 H new ATOM 0 HZ2 LYS A 89 7.642 13.611 -4.381 1.00 2.07 H new ATOM 0 HZ3 LYS A 89 7.103 12.309 -3.434 1.00 2.07 H new ATOM 1470 N ARG A 90 3.374 12.623 -1.289 1.00 0.27 N ATOM 1471 CA ARG A 90 4.360 12.445 -0.230 1.00 0.30 C ATOM 1472 C ARG A 90 3.819 11.489 0.829 1.00 0.25 C ATOM 1473 O ARG A 90 4.532 10.600 1.300 1.00 0.28 O ATOM 1474 CB ARG A 90 4.753 13.788 0.411 1.00 0.36 C ATOM 1475 CG ARG A 90 3.614 14.483 1.142 1.00 0.35 C ATOM 1476 CD ARG A 90 4.089 15.660 1.971 1.00 0.75 C ATOM 1477 NE ARG A 90 4.586 16.760 1.152 1.00 1.44 N ATOM 1478 CZ ARG A 90 5.532 17.603 1.555 1.00 1.98 C ATOM 1479 NH1 ARG A 90 6.129 17.417 2.727 1.00 2.10 N ATOM 1480 NH2 ARG A 90 5.890 18.623 0.784 1.00 2.93 N ATOM 0 H ARG A 90 2.949 13.550 -1.328 1.00 0.27 H new ATOM 0 HA ARG A 90 5.259 12.018 -0.675 1.00 0.30 H new ATOM 0 HB2 ARG A 90 5.571 13.619 1.112 1.00 0.36 H new ATOM 0 HB3 ARG A 90 5.131 14.452 -0.366 1.00 0.36 H new ATOM 0 HG2 ARG A 90 2.877 14.828 0.416 1.00 0.35 H new ATOM 0 HG3 ARG A 90 3.111 13.765 1.790 1.00 0.35 H new ATOM 0 HD2 ARG A 90 3.268 16.017 2.592 1.00 0.75 H new ATOM 0 HD3 ARG A 90 4.878 15.329 2.646 1.00 0.75 H new ATOM 0 HE ARG A 90 4.187 16.889 0.222 1.00 1.44 H new ATOM 0 HH11 ARG A 90 5.862 16.628 3.316 1.00 2.10 H new ATOM 0 HH12 ARG A 90 6.855 18.063 3.038 1.00 2.10 H new ATOM 0 HH21 ARG A 90 5.439 18.762 -0.120 1.00 2.93 H new ATOM 0 HH22 ARG A 90 6.616 19.268 1.096 1.00 2.93 H new ATOM 1494 N ALA A 91 2.549 11.664 1.182 1.00 0.22 N ATOM 1495 CA ALA A 91 1.914 10.813 2.176 1.00 0.23 C ATOM 1496 C ALA A 91 1.739 9.399 1.642 1.00 0.21 C ATOM 1497 O ALA A 91 1.996 8.420 2.343 1.00 0.24 O ATOM 1498 CB ALA A 91 0.572 11.397 2.590 1.00 0.26 C ATOM 0 H ALA A 91 1.943 12.387 0.794 1.00 0.22 H new ATOM 0 HA ALA A 91 2.559 10.767 3.053 1.00 0.23 H new ATOM 0 HB1 ALA A 91 0.108 10.750 3.334 1.00 0.26 H new ATOM 0 HB2 ALA A 91 0.723 12.389 3.015 1.00 0.26 H new ATOM 0 HB3 ALA A 91 -0.077 11.471 1.718 1.00 0.26 H new ATOM 1504 N VAL A 92 1.313 9.294 0.391 1.00 0.18 N ATOM 1505 CA VAL A 92 1.100 8.000 -0.233 1.00 0.19 C ATOM 1506 C VAL A 92 2.425 7.279 -0.457 1.00 0.22 C ATOM 1507 O VAL A 92 2.472 6.056 -0.473 1.00 0.24 O ATOM 1508 CB VAL A 92 0.331 8.123 -1.565 1.00 0.22 C ATOM 1509 CG1 VAL A 92 1.249 8.544 -2.704 1.00 0.25 C ATOM 1510 CG2 VAL A 92 -0.379 6.821 -1.888 1.00 0.26 C ATOM 0 H VAL A 92 1.108 10.092 -0.211 1.00 0.18 H new ATOM 0 HA VAL A 92 0.489 7.412 0.452 1.00 0.19 H new ATOM 0 HB VAL A 92 -0.419 8.905 -1.449 1.00 0.22 H new ATOM 0 HG11 VAL A 92 0.673 8.620 -3.626 1.00 0.25 H new ATOM 0 HG12 VAL A 92 1.695 9.512 -2.473 1.00 0.25 H new ATOM 0 HG13 VAL A 92 2.037 7.802 -2.829 1.00 0.25 H new ATOM 0 HG21 VAL A 92 -0.917 6.924 -2.830 1.00 0.26 H new ATOM 0 HG22 VAL A 92 0.354 6.019 -1.974 1.00 0.26 H new ATOM 0 HG23 VAL A 92 -1.085 6.584 -1.092 1.00 0.26 H new ATOM 1520 N GLU A 93 3.496 8.038 -0.647 1.00 0.25 N ATOM 1521 CA GLU A 93 4.822 7.457 -0.770 1.00 0.31 C ATOM 1522 C GLU A 93 5.254 6.801 0.537 1.00 0.31 C ATOM 1523 O GLU A 93 5.939 5.777 0.539 1.00 0.33 O ATOM 1524 CB GLU A 93 5.821 8.514 -1.218 1.00 0.39 C ATOM 1525 CG GLU A 93 5.834 8.701 -2.726 1.00 0.71 C ATOM 1526 CD GLU A 93 6.757 9.806 -3.189 1.00 1.14 C ATOM 1527 OE1 GLU A 93 6.902 10.816 -2.469 1.00 1.61 O ATOM 1528 OE2 GLU A 93 7.317 9.685 -4.299 1.00 1.63 O ATOM 0 H GLU A 93 3.471 9.055 -0.719 1.00 0.25 H new ATOM 0 HA GLU A 93 4.790 6.677 -1.530 1.00 0.31 H new ATOM 0 HB2 GLU A 93 5.580 9.463 -0.740 1.00 0.39 H new ATOM 0 HB3 GLU A 93 6.819 8.232 -0.882 1.00 0.39 H new ATOM 0 HG2 GLU A 93 6.135 7.766 -3.198 1.00 0.71 H new ATOM 0 HG3 GLU A 93 4.821 8.918 -3.066 1.00 0.71 H new ATOM 1535 N GLU A 94 4.846 7.382 1.653 1.00 0.31 N ATOM 1536 CA GLU A 94 5.049 6.741 2.942 1.00 0.34 C ATOM 1537 C GLU A 94 4.175 5.490 3.036 1.00 0.29 C ATOM 1538 O GLU A 94 4.568 4.485 3.630 1.00 0.29 O ATOM 1539 CB GLU A 94 4.784 7.719 4.092 1.00 0.42 C ATOM 1540 CG GLU A 94 5.760 8.884 4.091 1.00 0.90 C ATOM 1541 CD GLU A 94 5.653 9.774 5.312 1.00 1.40 C ATOM 1542 OE1 GLU A 94 6.237 9.428 6.360 1.00 1.62 O ATOM 1543 OE2 GLU A 94 4.940 10.798 5.237 1.00 2.09 O ATOM 0 H GLU A 94 4.377 8.287 1.694 1.00 0.31 H new ATOM 0 HA GLU A 94 6.091 6.434 3.030 1.00 0.34 H new ATOM 0 HB2 GLU A 94 3.766 8.100 4.015 1.00 0.42 H new ATOM 0 HB3 GLU A 94 4.855 7.189 5.042 1.00 0.42 H new ATOM 0 HG2 GLU A 94 6.776 8.494 4.025 1.00 0.90 H new ATOM 0 HG3 GLU A 94 5.591 9.486 3.198 1.00 0.90 H new ATOM 1550 N VAL A 95 3.005 5.532 2.403 1.00 0.28 N ATOM 1551 CA VAL A 95 2.184 4.335 2.272 1.00 0.26 C ATOM 1552 C VAL A 95 2.898 3.313 1.400 1.00 0.25 C ATOM 1553 O VAL A 95 2.823 2.125 1.659 1.00 0.26 O ATOM 1554 CB VAL A 95 0.792 4.609 1.665 1.00 0.25 C ATOM 1555 CG1 VAL A 95 -0.031 3.322 1.622 1.00 0.48 C ATOM 1556 CG2 VAL A 95 0.063 5.685 2.455 1.00 0.62 C ATOM 0 H VAL A 95 2.610 6.371 1.978 1.00 0.28 H new ATOM 0 HA VAL A 95 2.033 3.958 3.283 1.00 0.26 H new ATOM 0 HB VAL A 95 0.925 4.969 0.645 1.00 0.25 H new ATOM 0 HG11 VAL A 95 -1.010 3.531 1.191 1.00 0.48 H new ATOM 0 HG12 VAL A 95 0.484 2.581 1.010 1.00 0.48 H new ATOM 0 HG13 VAL A 95 -0.154 2.935 2.633 1.00 0.48 H new ATOM 0 HG21 VAL A 95 -0.916 5.863 2.010 1.00 0.62 H new ATOM 0 HG22 VAL A 95 -0.061 5.357 3.487 1.00 0.62 H new ATOM 0 HG23 VAL A 95 0.643 6.607 2.435 1.00 0.62 H new ATOM 1566 N LYS A 96 3.587 3.783 0.361 1.00 0.26 N ATOM 1567 CA LYS A 96 4.421 2.908 -0.471 1.00 0.30 C ATOM 1568 C LYS A 96 5.447 2.169 0.386 1.00 0.33 C ATOM 1569 O LYS A 96 5.888 1.075 0.047 1.00 0.39 O ATOM 1570 CB LYS A 96 5.158 3.691 -1.559 1.00 0.36 C ATOM 1571 CG LYS A 96 4.256 4.373 -2.573 1.00 0.88 C ATOM 1572 CD LYS A 96 5.077 5.022 -3.677 1.00 1.20 C ATOM 1573 CE LYS A 96 4.204 5.786 -4.655 1.00 1.69 C ATOM 1574 NZ LYS A 96 4.988 6.306 -5.803 1.00 2.00 N ATOM 0 H LYS A 96 3.586 4.762 0.073 1.00 0.26 H new ATOM 0 HA LYS A 96 3.751 2.193 -0.948 1.00 0.30 H new ATOM 0 HB2 LYS A 96 5.783 4.447 -1.083 1.00 0.36 H new ATOM 0 HB3 LYS A 96 5.826 3.011 -2.087 1.00 0.36 H new ATOM 0 HG2 LYS A 96 3.570 3.644 -3.005 1.00 0.88 H new ATOM 0 HG3 LYS A 96 3.647 5.128 -2.075 1.00 0.88 H new ATOM 0 HD2 LYS A 96 5.807 5.700 -3.236 1.00 1.20 H new ATOM 0 HD3 LYS A 96 5.637 4.255 -4.212 1.00 1.20 H new ATOM 0 HE2 LYS A 96 3.412 5.133 -5.022 1.00 1.69 H new ATOM 0 HE3 LYS A 96 3.720 6.616 -4.139 1.00 1.69 H new ATOM 0 HZ1 LYS A 96 4.357 6.822 -6.449 1.00 2.00 H new ATOM 0 HZ2 LYS A 96 5.728 6.949 -5.455 1.00 2.00 H new ATOM 0 HZ3 LYS A 96 5.429 5.512 -6.310 1.00 2.00 H new ATOM 1588 N LYS A 97 5.865 2.794 1.472 1.00 0.33 N ATOM 1589 CA LYS A 97 6.757 2.147 2.415 1.00 0.39 C ATOM 1590 C LYS A 97 5.971 1.155 3.272 1.00 0.35 C ATOM 1591 O LYS A 97 6.529 0.203 3.818 1.00 0.45 O ATOM 1592 CB LYS A 97 7.436 3.197 3.296 1.00 0.49 C ATOM 1593 CG LYS A 97 8.672 2.688 4.018 1.00 1.09 C ATOM 1594 CD LYS A 97 9.755 2.281 3.034 1.00 1.89 C ATOM 1595 CE LYS A 97 11.023 1.842 3.746 1.00 2.76 C ATOM 1596 NZ LYS A 97 12.086 1.458 2.782 1.00 3.43 N ATOM 0 H LYS A 97 5.601 3.747 1.722 1.00 0.33 H new ATOM 0 HA LYS A 97 7.527 1.603 1.868 1.00 0.39 H new ATOM 0 HB2 LYS A 97 7.714 4.051 2.678 1.00 0.49 H new ATOM 0 HB3 LYS A 97 6.719 3.557 4.034 1.00 0.49 H new ATOM 0 HG2 LYS A 97 9.053 3.464 4.682 1.00 1.09 H new ATOM 0 HG3 LYS A 97 8.406 1.836 4.643 1.00 1.09 H new ATOM 0 HD2 LYS A 97 9.390 1.468 2.406 1.00 1.89 H new ATOM 0 HD3 LYS A 97 9.980 3.118 2.373 1.00 1.89 H new ATOM 0 HE2 LYS A 97 11.383 2.651 4.382 1.00 2.76 H new ATOM 0 HE3 LYS A 97 10.801 0.998 4.399 1.00 2.76 H new ATOM 0 HZ1 LYS A 97 12.937 1.164 3.303 1.00 3.43 H new ATOM 0 HZ2 LYS A 97 11.751 0.670 2.192 1.00 3.43 H new ATOM 0 HZ3 LYS A 97 12.315 2.271 2.176 1.00 3.43 H new ATOM 1610 N LEU A 98 4.666 1.392 3.379 1.00 0.30 N ATOM 1611 CA LEU A 98 3.789 0.542 4.179 1.00 0.33 C ATOM 1612 C LEU A 98 3.213 -0.650 3.402 1.00 0.27 C ATOM 1613 O LEU A 98 3.161 -1.748 3.940 1.00 0.35 O ATOM 1614 CB LEU A 98 2.630 1.362 4.760 1.00 0.45 C ATOM 1615 CG LEU A 98 2.813 1.847 6.203 1.00 0.83 C ATOM 1616 CD1 LEU A 98 2.937 0.664 7.150 1.00 1.70 C ATOM 1617 CD2 LEU A 98 4.029 2.756 6.320 1.00 1.29 C ATOM 0 H LEU A 98 4.191 2.169 2.920 1.00 0.30 H new ATOM 0 HA LEU A 98 4.415 0.140 4.976 1.00 0.33 H new ATOM 0 HB2 LEU A 98 2.469 2.231 4.122 1.00 0.45 H new ATOM 0 HB3 LEU A 98 1.723 0.759 4.712 1.00 0.45 H new ATOM 0 HG LEU A 98 1.931 2.424 6.483 1.00 0.83 H new ATOM 0 HD11 LEU A 98 3.066 1.026 8.170 1.00 1.70 H new ATOM 0 HD12 LEU A 98 2.034 0.056 7.093 1.00 1.70 H new ATOM 0 HD13 LEU A 98 3.800 0.060 6.867 1.00 1.70 H new ATOM 0 HD21 LEU A 98 4.138 3.087 7.353 1.00 1.29 H new ATOM 0 HD22 LEU A 98 4.922 2.209 6.018 1.00 1.29 H new ATOM 0 HD23 LEU A 98 3.899 3.623 5.673 1.00 1.29 H new ATOM 1629 N LEU A 99 2.798 -0.457 2.143 1.00 0.21 N ATOM 1630 CA LEU A 99 2.134 -1.533 1.381 1.00 0.22 C ATOM 1631 C LEU A 99 3.118 -2.633 0.946 1.00 0.25 C ATOM 1632 O LEU A 99 2.938 -3.275 -0.086 1.00 0.43 O ATOM 1633 CB LEU A 99 1.305 -1.023 0.164 1.00 0.36 C ATOM 1634 CG LEU A 99 1.976 -0.197 -0.948 1.00 0.38 C ATOM 1635 CD1 LEU A 99 1.551 1.250 -0.858 1.00 1.29 C ATOM 1636 CD2 LEU A 99 3.489 -0.323 -0.963 1.00 1.30 C ATOM 0 H LEU A 99 2.906 0.420 1.633 1.00 0.21 H new ATOM 0 HA LEU A 99 1.421 -1.969 2.081 1.00 0.22 H new ATOM 0 HB2 LEU A 99 0.858 -1.897 -0.310 1.00 0.36 H new ATOM 0 HB3 LEU A 99 0.487 -0.423 0.561 1.00 0.36 H new ATOM 0 HG LEU A 99 1.633 -0.612 -1.896 1.00 0.38 H new ATOM 0 HD11 LEU A 99 2.034 1.821 -1.651 1.00 1.29 H new ATOM 0 HD12 LEU A 99 0.469 1.319 -0.969 1.00 1.29 H new ATOM 0 HD13 LEU A 99 1.843 1.655 0.111 1.00 1.29 H new ATOM 0 HD21 LEU A 99 3.897 0.284 -1.771 1.00 1.30 H new ATOM 0 HD22 LEU A 99 3.892 0.022 -0.011 1.00 1.30 H new ATOM 0 HD23 LEU A 99 3.766 -1.366 -1.118 1.00 1.30 H new ATOM 1648 N VAL A 100 4.143 -2.848 1.750 1.00 0.32 N ATOM 1649 CA VAL A 100 5.145 -3.857 1.479 1.00 0.36 C ATOM 1650 C VAL A 100 4.932 -5.049 2.410 1.00 0.37 C ATOM 1651 O VAL A 100 4.753 -4.871 3.616 1.00 0.45 O ATOM 1652 CB VAL A 100 6.570 -3.284 1.668 1.00 0.48 C ATOM 1653 CG1 VAL A 100 7.636 -4.333 1.383 1.00 1.35 C ATOM 1654 CG2 VAL A 100 6.776 -2.064 0.782 1.00 1.29 C ATOM 0 H VAL A 100 4.303 -2.325 2.611 1.00 0.32 H new ATOM 0 HA VAL A 100 5.044 -4.180 0.443 1.00 0.36 H new ATOM 0 HB VAL A 100 6.670 -2.983 2.711 1.00 0.48 H new ATOM 0 HG11 VAL A 100 8.624 -3.896 1.526 1.00 1.35 H new ATOM 0 HG12 VAL A 100 7.510 -5.174 2.064 1.00 1.35 H new ATOM 0 HG13 VAL A 100 7.538 -4.681 0.355 1.00 1.35 H new ATOM 0 HG21 VAL A 100 7.783 -1.674 0.928 1.00 1.29 H new ATOM 0 HG22 VAL A 100 6.644 -2.346 -0.262 1.00 1.29 H new ATOM 0 HG23 VAL A 100 6.048 -1.296 1.045 1.00 1.29 H new ATOM 1664 N PRO A 101 4.926 -6.278 1.853 1.00 0.39 N ATOM 1665 CA PRO A 101 4.731 -7.521 2.620 1.00 0.49 C ATOM 1666 C PRO A 101 5.728 -7.677 3.767 1.00 0.65 C ATOM 1667 O PRO A 101 5.466 -8.407 4.725 1.00 0.88 O ATOM 1668 CB PRO A 101 4.939 -8.629 1.580 1.00 0.64 C ATOM 1669 CG PRO A 101 5.609 -7.960 0.432 1.00 0.60 C ATOM 1670 CD PRO A 101 5.096 -6.555 0.425 1.00 0.45 C ATOM 0 HA PRO A 101 3.751 -7.541 3.097 1.00 0.49 H new ATOM 0 HB2 PRO A 101 5.554 -9.435 1.980 1.00 0.64 H new ATOM 0 HB3 PRO A 101 3.989 -9.071 1.279 1.00 0.64 H new ATOM 0 HG2 PRO A 101 6.693 -7.980 0.546 1.00 0.60 H new ATOM 0 HG3 PRO A 101 5.377 -8.466 -0.505 1.00 0.60 H new ATOM 0 HD2 PRO A 101 5.801 -5.867 -0.042 1.00 0.45 H new ATOM 0 HD3 PRO A 101 4.157 -6.468 -0.121 1.00 0.45 H new ATOM 1735 N ASP A 107 13.687 -15.055 7.753 1.00 9.76 N ATOM 1736 CA ASP A 107 12.709 -15.700 8.616 1.00 10.43 C ATOM 1737 C ASP A 107 11.688 -16.440 7.790 1.00 10.48 C ATOM 1738 O ASP A 107 11.170 -17.480 8.194 1.00 11.15 O ATOM 1739 CB ASP A 107 12.038 -14.665 9.522 1.00 10.67 C ATOM 1740 CG ASP A 107 10.977 -15.258 10.431 1.00 11.41 C ATOM 1741 OD1 ASP A 107 11.315 -16.138 11.245 1.00 11.98 O ATOM 1742 OD2 ASP A 107 9.797 -14.861 10.318 1.00 11.57 O ATOM 0 HA ASP A 107 13.221 -16.425 9.249 1.00 10.43 H new ATOM 0 HB2 ASP A 107 12.799 -14.180 10.133 1.00 10.67 H new ATOM 0 HB3 ASP A 107 11.584 -13.891 8.903 1.00 10.67 H new ATOM 1747 N SER A 108 11.449 -15.916 6.612 1.00 9.96 N ATOM 1748 CA SER A 108 10.497 -16.490 5.698 1.00 10.24 C ATOM 1749 C SER A 108 10.885 -17.907 5.298 1.00 10.41 C ATOM 1750 O SER A 108 10.060 -18.807 5.340 1.00 11.07 O ATOM 1751 CB SER A 108 10.400 -15.599 4.477 1.00 9.88 C ATOM 1752 OG SER A 108 10.001 -14.288 4.844 1.00 10.00 O ATOM 0 H SER A 108 11.912 -15.077 6.261 1.00 9.96 H new ATOM 0 HA SER A 108 9.527 -16.554 6.192 1.00 10.24 H new ATOM 0 HB2 SER A 108 11.364 -15.563 3.970 1.00 9.88 H new ATOM 0 HB3 SER A 108 9.684 -16.018 3.771 1.00 9.88 H new ATOM 0 HG SER A 108 9.945 -13.727 4.043 1.00 10.00 H new ATOM 1758 N LEU A 109 12.144 -18.102 4.938 1.00 10.02 N ATOM 1759 CA LEU A 109 12.620 -19.405 4.471 1.00 10.41 C ATOM 1760 C LEU A 109 12.293 -20.509 5.474 1.00 11.26 C ATOM 1761 O LEU A 109 11.751 -21.553 5.109 1.00 11.94 O ATOM 1762 CB LEU A 109 14.131 -19.368 4.213 1.00 10.12 C ATOM 1763 CG LEU A 109 14.579 -18.471 3.056 1.00 9.48 C ATOM 1764 CD1 LEU A 109 16.094 -18.502 2.916 1.00 9.47 C ATOM 1765 CD2 LEU A 109 13.908 -18.906 1.762 1.00 9.65 C ATOM 0 H LEU A 109 12.860 -17.376 4.959 1.00 10.02 H new ATOM 0 HA LEU A 109 12.104 -19.626 3.537 1.00 10.41 H new ATOM 0 HB2 LEU A 109 14.630 -19.034 5.123 1.00 10.12 H new ATOM 0 HB3 LEU A 109 14.474 -20.384 4.016 1.00 10.12 H new ATOM 0 HG LEU A 109 14.278 -17.446 3.271 1.00 9.48 H new ATOM 0 HD11 LEU A 109 16.396 -17.859 2.089 1.00 9.47 H new ATOM 0 HD12 LEU A 109 16.552 -18.146 3.839 1.00 9.47 H new ATOM 0 HD13 LEU A 109 16.420 -19.523 2.720 1.00 9.47 H new ATOM 0 HD21 LEU A 109 14.235 -18.260 0.947 1.00 9.65 H new ATOM 0 HD22 LEU A 109 14.181 -19.937 1.539 1.00 9.65 H new ATOM 0 HD23 LEU A 109 12.826 -18.833 1.871 1.00 9.65 H new ATOM 1777 N LYS A 110 12.601 -20.263 6.739 1.00 11.40 N ATOM 1778 CA LYS A 110 12.369 -21.248 7.785 1.00 12.34 C ATOM 1779 C LYS A 110 10.879 -21.370 8.096 1.00 12.93 C ATOM 1780 O LYS A 110 10.343 -22.474 8.208 1.00 13.70 O ATOM 1781 CB LYS A 110 13.151 -20.863 9.043 1.00 12.53 C ATOM 1782 CG LYS A 110 13.066 -21.888 10.161 1.00 12.99 C ATOM 1783 CD LYS A 110 14.007 -21.543 11.303 1.00 13.18 C ATOM 1784 CE LYS A 110 15.459 -21.512 10.843 1.00 13.26 C ATOM 1785 NZ LYS A 110 15.897 -22.824 10.293 1.00 13.83 N ATOM 0 H LYS A 110 13.013 -19.389 7.066 1.00 11.40 H new ATOM 0 HA LYS A 110 12.718 -22.219 7.434 1.00 12.34 H new ATOM 0 HB2 LYS A 110 14.198 -20.717 8.777 1.00 12.53 H new ATOM 0 HB3 LYS A 110 12.779 -19.907 9.411 1.00 12.53 H new ATOM 0 HG2 LYS A 110 12.043 -21.938 10.533 1.00 12.99 H new ATOM 0 HG3 LYS A 110 13.312 -22.876 9.771 1.00 12.99 H new ATOM 0 HD2 LYS A 110 13.736 -20.573 11.718 1.00 13.18 H new ATOM 0 HD3 LYS A 110 13.894 -22.275 12.103 1.00 13.18 H new ATOM 0 HE2 LYS A 110 15.582 -20.741 10.083 1.00 13.26 H new ATOM 0 HE3 LYS A 110 16.099 -21.238 11.682 1.00 13.26 H new ATOM 0 HZ1 LYS A 110 16.929 -22.820 10.166 1.00 13.83 H new ATOM 0 HZ2 LYS A 110 15.633 -23.583 10.953 1.00 13.83 H new ATOM 0 HZ3 LYS A 110 15.436 -22.987 9.375 1.00 13.83 H new ATOM 1799 N LYS A 111 10.212 -20.228 8.213 1.00 12.70 N ATOM 1800 CA LYS A 111 8.783 -20.190 8.511 1.00 13.45 C ATOM 1801 C LYS A 111 7.988 -20.886 7.408 1.00 13.69 C ATOM 1802 O LYS A 111 7.029 -21.618 7.679 1.00 14.58 O ATOM 1803 CB LYS A 111 8.333 -18.731 8.665 1.00 13.35 C ATOM 1804 CG LYS A 111 6.880 -18.543 9.079 1.00 13.65 C ATOM 1805 CD LYS A 111 6.596 -17.075 9.373 1.00 14.12 C ATOM 1806 CE LYS A 111 5.154 -16.827 9.797 1.00 14.42 C ATOM 1807 NZ LYS A 111 4.199 -16.939 8.660 1.00 14.52 N ATOM 0 H LYS A 111 10.641 -19.309 8.105 1.00 12.70 H new ATOM 0 HA LYS A 111 8.597 -20.720 9.445 1.00 13.45 H new ATOM 0 HB2 LYS A 111 8.971 -18.247 9.404 1.00 13.35 H new ATOM 0 HB3 LYS A 111 8.494 -18.216 7.718 1.00 13.35 H new ATOM 0 HG2 LYS A 111 6.221 -18.895 8.286 1.00 13.65 H new ATOM 0 HG3 LYS A 111 6.666 -19.145 9.962 1.00 13.65 H new ATOM 0 HD2 LYS A 111 7.266 -16.731 10.161 1.00 14.12 H new ATOM 0 HD3 LYS A 111 6.816 -16.482 8.485 1.00 14.12 H new ATOM 0 HE2 LYS A 111 4.878 -17.543 10.571 1.00 14.42 H new ATOM 0 HE3 LYS A 111 5.074 -15.834 10.238 1.00 14.42 H new ATOM 0 HZ1 LYS A 111 3.467 -16.205 8.748 1.00 14.52 H new ATOM 0 HZ2 LYS A 111 4.710 -16.812 7.763 1.00 14.52 H new ATOM 0 HZ3 LYS A 111 3.752 -17.878 8.674 1.00 14.52 H new ATOM 1821 N MET A 112 8.414 -20.678 6.170 1.00 13.03 N ATOM 1822 CA MET A 112 7.728 -21.221 5.009 1.00 13.43 C ATOM 1823 C MET A 112 8.001 -22.705 4.829 1.00 13.93 C ATOM 1824 O MET A 112 7.129 -23.443 4.379 1.00 14.71 O ATOM 1825 CB MET A 112 8.114 -20.453 3.743 1.00 12.78 C ATOM 1826 CG MET A 112 7.530 -19.049 3.686 1.00 12.65 C ATOM 1827 SD MET A 112 8.189 -18.072 2.319 1.00 12.08 S ATOM 1828 CE MET A 112 7.629 -19.029 0.912 1.00 12.60 C ATOM 0 H MET A 112 9.243 -20.129 5.944 1.00 13.03 H new ATOM 0 HA MET A 112 6.659 -21.101 5.183 1.00 13.43 H new ATOM 0 HB2 MET A 112 9.200 -20.389 3.683 1.00 12.78 H new ATOM 0 HB3 MET A 112 7.779 -21.014 2.870 1.00 12.78 H new ATOM 0 HG2 MET A 112 6.446 -19.115 3.590 1.00 12.65 H new ATOM 0 HG3 MET A 112 7.736 -18.536 4.626 1.00 12.65 H new ATOM 0 HE1 MET A 112 7.753 -18.444 0.001 1.00 12.60 H new ATOM 0 HE2 MET A 112 8.216 -19.945 0.838 1.00 12.60 H new ATOM 0 HE3 MET A 112 6.577 -19.282 1.040 1.00 12.60 H new ATOM 1838 N LYS A 113 9.203 -23.150 5.162 1.00 13.65 N ATOM 1839 CA LYS A 113 9.520 -24.565 5.049 1.00 14.28 C ATOM 1840 C LYS A 113 8.815 -25.366 6.140 1.00 15.23 C ATOM 1841 O LYS A 113 8.351 -26.482 5.906 1.00 16.03 O ATOM 1842 CB LYS A 113 11.036 -24.790 5.115 1.00 13.94 C ATOM 1843 CG LYS A 113 11.446 -26.258 5.100 1.00 14.60 C ATOM 1844 CD LYS A 113 10.895 -26.991 3.884 1.00 15.23 C ATOM 1845 CE LYS A 113 10.045 -28.190 4.288 1.00 16.15 C ATOM 1846 NZ LYS A 113 10.852 -29.257 4.936 1.00 16.72 N ATOM 0 H LYS A 113 9.963 -22.564 5.507 1.00 13.65 H new ATOM 0 HA LYS A 113 9.163 -24.914 4.080 1.00 14.28 H new ATOM 0 HB2 LYS A 113 11.505 -24.284 4.271 1.00 13.94 H new ATOM 0 HB3 LYS A 113 11.423 -24.325 6.021 1.00 13.94 H new ATOM 0 HG2 LYS A 113 12.534 -26.331 5.105 1.00 14.60 H new ATOM 0 HG3 LYS A 113 11.089 -26.743 6.008 1.00 14.60 H new ATOM 0 HD2 LYS A 113 10.296 -26.305 3.286 1.00 15.23 H new ATOM 0 HD3 LYS A 113 11.720 -27.325 3.255 1.00 15.23 H new ATOM 0 HE2 LYS A 113 9.261 -27.864 4.972 1.00 16.15 H new ATOM 0 HE3 LYS A 113 9.550 -28.596 3.406 1.00 16.15 H new ATOM 0 HZ1 LYS A 113 10.236 -30.059 5.178 1.00 16.72 H new ATOM 0 HZ2 LYS A 113 11.595 -29.576 4.282 1.00 16.72 H new ATOM 0 HZ3 LYS A 113 11.290 -28.883 5.802 1.00 16.72 H new ATOM 1860 N LEU A 114 8.702 -24.795 7.325 1.00 15.27 N ATOM 1861 CA LEU A 114 8.108 -25.512 8.425 1.00 16.25 C ATOM 1862 C LEU A 114 6.584 -25.410 8.411 1.00 16.89 C ATOM 1863 O LEU A 114 5.892 -26.407 8.207 1.00 17.72 O ATOM 1864 CB LEU A 114 8.657 -24.986 9.747 1.00 16.24 C ATOM 1865 CG LEU A 114 8.152 -25.711 10.989 1.00 16.63 C ATOM 1866 CD1 LEU A 114 8.588 -27.166 10.960 1.00 17.08 C ATOM 1867 CD2 LEU A 114 8.659 -25.020 12.240 1.00 16.95 C ATOM 0 H LEU A 114 9.011 -23.848 7.544 1.00 15.27 H new ATOM 0 HA LEU A 114 8.369 -26.565 8.316 1.00 16.25 H new ATOM 0 HB2 LEU A 114 9.745 -25.052 9.723 1.00 16.24 H new ATOM 0 HB3 LEU A 114 8.404 -23.929 9.833 1.00 16.24 H new ATOM 0 HG LEU A 114 7.062 -25.681 10.999 1.00 16.63 H new ATOM 0 HD11 LEU A 114 8.221 -27.674 11.852 1.00 17.08 H new ATOM 0 HD12 LEU A 114 8.180 -27.651 10.073 1.00 17.08 H new ATOM 0 HD13 LEU A 114 9.676 -27.219 10.934 1.00 17.08 H new ATOM 0 HD21 LEU A 114 8.292 -25.547 13.121 1.00 16.95 H new ATOM 0 HD22 LEU A 114 9.749 -25.025 12.242 1.00 16.95 H new ATOM 0 HD23 LEU A 114 8.301 -23.991 12.257 1.00 16.95 H new ATOM 1879 N MET A 115 6.062 -24.204 8.609 1.00 16.60 N ATOM 1880 CA MET A 115 4.623 -24.032 8.755 1.00 17.37 C ATOM 1881 C MET A 115 3.951 -23.659 7.445 1.00 17.30 C ATOM 1882 O MET A 115 3.003 -24.315 7.040 1.00 18.16 O ATOM 1883 CB MET A 115 4.295 -22.980 9.806 1.00 17.40 C ATOM 1884 CG MET A 115 2.800 -22.783 10.000 1.00 18.36 C ATOM 1885 SD MET A 115 2.429 -21.525 11.243 1.00 18.37 S ATOM 1886 CE MET A 115 3.234 -20.101 10.513 1.00 17.17 C ATOM 0 H MET A 115 6.606 -23.343 8.671 1.00 16.60 H new ATOM 0 HA MET A 115 4.233 -24.998 9.077 1.00 17.37 H new ATOM 0 HB2 MET A 115 4.744 -23.270 10.756 1.00 17.40 H new ATOM 0 HB3 MET A 115 4.747 -22.031 9.516 1.00 17.40 H new ATOM 0 HG2 MET A 115 2.347 -22.497 9.051 1.00 18.36 H new ATOM 0 HG3 MET A 115 2.347 -23.729 10.297 1.00 18.36 H new ATOM 0 HE1 MET A 115 4.046 -19.771 11.160 1.00 17.17 H new ATOM 0 HE2 MET A 115 3.636 -20.371 9.536 1.00 17.17 H new ATOM 0 HE3 MET A 115 2.511 -19.294 10.397 1.00 17.17 H new ATOM 1896 N GLU A 116 4.459 -22.620 6.777 1.00 16.38 N ATOM 1897 CA GLU A 116 3.824 -22.093 5.558 1.00 16.41 C ATOM 1898 C GLU A 116 3.752 -23.164 4.465 1.00 16.77 C ATOM 1899 O GLU A 116 3.087 -22.987 3.444 1.00 17.19 O ATOM 1900 CB GLU A 116 4.582 -20.875 5.029 1.00 15.41 C ATOM 1901 CG GLU A 116 4.877 -19.810 6.076 1.00 15.12 C ATOM 1902 CD GLU A 116 3.667 -19.007 6.489 1.00 15.91 C ATOM 1903 OE1 GLU A 116 3.219 -18.162 5.693 1.00 16.29 O ATOM 1904 OE2 GLU A 116 3.119 -19.268 7.577 1.00 16.27 O ATOM 0 H GLU A 116 5.306 -22.125 7.056 1.00 16.38 H new ATOM 0 HA GLU A 116 2.811 -21.793 5.824 1.00 16.41 H new ATOM 0 HB2 GLU A 116 5.524 -21.210 4.595 1.00 15.41 H new ATOM 0 HB3 GLU A 116 4.002 -20.424 4.224 1.00 15.41 H new ATOM 0 HG2 GLU A 116 5.301 -20.289 6.958 1.00 15.12 H new ATOM 0 HG3 GLU A 116 5.636 -19.131 5.686 1.00 15.12 H new ATOM 1911 N LEU A 117 4.466 -24.258 4.690 1.00 16.72 N ATOM 1912 CA LEU A 117 4.488 -25.389 3.772 1.00 17.21 C ATOM 1913 C LEU A 117 3.104 -26.037 3.737 1.00 18.39 C ATOM 1914 O LEU A 117 2.672 -26.572 2.715 1.00 18.98 O ATOM 1915 CB LEU A 117 5.557 -26.398 4.236 1.00 17.03 C ATOM 1916 CG LEU A 117 6.265 -27.210 3.138 1.00 17.18 C ATOM 1917 CD1 LEU A 117 5.331 -28.243 2.530 1.00 18.26 C ATOM 1918 CD2 LEU A 117 6.806 -26.286 2.059 1.00 16.60 C ATOM 0 H LEU A 117 5.049 -24.387 5.517 1.00 16.72 H new ATOM 0 HA LEU A 117 4.740 -25.054 2.766 1.00 17.21 H new ATOM 0 HB2 LEU A 117 6.315 -25.855 4.800 1.00 17.03 H new ATOM 0 HB3 LEU A 117 5.087 -27.098 4.927 1.00 17.03 H new ATOM 0 HG LEU A 117 7.100 -27.739 3.598 1.00 17.18 H new ATOM 0 HD11 LEU A 117 5.859 -28.801 1.757 1.00 18.26 H new ATOM 0 HD12 LEU A 117 4.993 -28.929 3.306 1.00 18.26 H new ATOM 0 HD13 LEU A 117 4.470 -27.740 2.090 1.00 18.26 H new ATOM 0 HD21 LEU A 117 7.304 -26.877 1.290 1.00 16.60 H new ATOM 0 HD22 LEU A 117 5.983 -25.728 1.612 1.00 16.60 H new ATOM 0 HD23 LEU A 117 7.519 -25.590 2.500 1.00 16.60 H new ATOM 1930 N ALA A 118 2.399 -25.950 4.855 1.00 18.81 N ATOM 1931 CA ALA A 118 1.075 -26.513 4.962 1.00 19.94 C ATOM 1932 C ALA A 118 0.133 -25.563 5.684 1.00 20.25 C ATOM 1933 O ALA A 118 -0.861 -25.116 5.109 1.00 20.88 O ATOM 1934 CB ALA A 118 1.120 -27.864 5.657 1.00 20.42 C ATOM 0 H ALA A 118 2.731 -25.490 5.703 1.00 18.81 H new ATOM 0 HA ALA A 118 0.690 -26.661 3.953 1.00 19.94 H new ATOM 0 HB1 ALA A 118 0.111 -28.271 5.727 1.00 20.42 H new ATOM 0 HB2 ALA A 118 1.748 -28.547 5.084 1.00 20.42 H new ATOM 0 HB3 ALA A 118 1.534 -27.744 6.658 1.00 20.42 H new ATOM 1940 N ILE A 119 0.473 -25.247 6.937 1.00 19.90 N ATOM 1941 CA ILE A 119 -0.333 -24.393 7.808 1.00 20.25 C ATOM 1942 C ILE A 119 -1.622 -25.103 8.209 1.00 21.12 C ATOM 1943 O ILE A 119 -1.879 -25.338 9.392 1.00 21.13 O ATOM 1944 CB ILE A 119 -0.676 -23.032 7.163 1.00 20.40 C ATOM 1945 CG1 ILE A 119 0.560 -22.405 6.509 1.00 20.16 C ATOM 1946 CG2 ILE A 119 -1.223 -22.105 8.228 1.00 20.03 C ATOM 1947 CD1 ILE A 119 0.275 -21.121 5.762 1.00 20.59 C ATOM 0 H ILE A 119 1.329 -25.583 7.379 1.00 19.90 H new ATOM 0 HA ILE A 119 0.274 -24.195 8.691 1.00 20.25 H new ATOM 0 HB ILE A 119 -1.424 -23.189 6.385 1.00 20.40 H new ATOM 0 HG12 ILE A 119 1.305 -22.208 7.279 1.00 20.16 H new ATOM 0 HG13 ILE A 119 0.998 -23.126 5.819 1.00 20.16 H new ATOM 0 HG21 ILE A 119 -1.468 -21.142 7.781 1.00 20.03 H new ATOM 0 HG22 ILE A 119 -2.122 -22.542 8.664 1.00 20.03 H new ATOM 0 HG23 ILE A 119 -0.474 -21.964 9.007 1.00 20.03 H new ATOM 0 HD11 ILE A 119 1.199 -20.740 5.328 1.00 20.59 H new ATOM 0 HD12 ILE A 119 -0.446 -21.314 4.968 1.00 20.59 H new ATOM 0 HD13 ILE A 119 -0.134 -20.382 6.451 1.00 20.59 H new ATOM 1959 N LEU A 120 -2.416 -25.456 7.213 1.00 21.92 N ATOM 1960 CA LEU A 120 -3.649 -26.182 7.429 1.00 22.85 C ATOM 1961 C LEU A 120 -3.340 -27.651 7.649 1.00 23.12 C ATOM 1962 O LEU A 120 -3.418 -28.470 6.736 1.00 23.32 O ATOM 1963 CB LEU A 120 -4.608 -26.008 6.246 1.00 23.66 C ATOM 1964 CG LEU A 120 -5.133 -24.584 6.013 1.00 23.95 C ATOM 1965 CD1 LEU A 120 -5.664 -23.987 7.310 1.00 23.98 C ATOM 1966 CD2 LEU A 120 -4.059 -23.692 5.407 1.00 23.52 C ATOM 0 H LEU A 120 -2.222 -25.246 6.234 1.00 21.92 H new ATOM 0 HA LEU A 120 -4.140 -25.779 8.315 1.00 22.85 H new ATOM 0 HB2 LEU A 120 -4.101 -26.340 5.340 1.00 23.66 H new ATOM 0 HB3 LEU A 120 -5.461 -26.669 6.395 1.00 23.66 H new ATOM 0 HG LEU A 120 -5.956 -24.644 5.301 1.00 23.95 H new ATOM 0 HD11 LEU A 120 -6.031 -22.978 7.123 1.00 23.98 H new ATOM 0 HD12 LEU A 120 -6.478 -24.605 7.688 1.00 23.98 H new ATOM 0 HD13 LEU A 120 -4.863 -23.950 8.048 1.00 23.98 H new ATOM 0 HD21 LEU A 120 -4.461 -22.691 5.254 1.00 23.52 H new ATOM 0 HD22 LEU A 120 -3.205 -23.641 6.082 1.00 23.52 H new ATOM 0 HD23 LEU A 120 -3.740 -24.105 4.450 1.00 23.52 H new ATOM 1978 N ASN A 121 -2.962 -27.963 8.873 1.00 23.21 N ATOM 1979 CA ASN A 121 -2.587 -29.318 9.256 1.00 23.56 C ATOM 1980 C ASN A 121 -3.817 -30.115 9.669 1.00 24.31 C ATOM 1981 O ASN A 121 -3.727 -31.097 10.404 1.00 24.76 O ATOM 1982 CB ASN A 121 -1.570 -29.265 10.405 1.00 23.18 C ATOM 1983 CG ASN A 121 -2.141 -28.660 11.682 1.00 23.09 C ATOM 1984 OD1 ASN A 121 -2.611 -29.374 12.563 1.00 23.47 O ATOM 1985 ND2 ASN A 121 -2.121 -27.336 11.782 1.00 22.69 N ATOM 0 H ASN A 121 -2.905 -27.286 9.634 1.00 23.21 H new ATOM 0 HA ASN A 121 -2.132 -29.817 8.400 1.00 23.56 H new ATOM 0 HB2 ASN A 121 -1.215 -30.274 10.615 1.00 23.18 H new ATOM 0 HB3 ASN A 121 -0.705 -28.682 10.090 1.00 23.18 H new ATOM 0 HD21 ASN A 121 -2.504 -26.881 12.611 1.00 22.69 H new ATOM 0 HD22 ASN A 121 -1.722 -26.774 11.030 1.00 22.69 H new