USER MOD reduce.3.24.130724 H: found=0, std=0, add=1554, rem=0, adj=43 USER MOD reduce.3.24.130724 removed 1558 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: B 68 GLN : amide:sc= -0.3 K(o=-0.43,f=-1) USER MOD Set 1.2: B 71 GLN : amide:sc= -0.134 X(o=-0.43,f=-0.17) USER MOD Set 2.1: B 36 THR OG1 : rot -57:sc= 1.29 USER MOD Set 2.2: B 97 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: A 121 CYS SG : rot 62:sc= 1.01 USER MOD Set 3.2: A 125 ASN : amide:sc= 1.74 K(o=2.8,f=-5.7!) USER MOD Set 4.1: A 88 CYS SG : rot -140:sc= 0.925 USER MOD Set 4.2: A 90 SER OG : rot 81:sc= 0.547 USER MOD Set 5.1: A 52 THR OG1 : rot 82:sc= 1.4 USER MOD Set 5.2: A 58 HIS : no HE2:sc= 1.15 K(o=2.5,f=-3.2!) USER MOD Set 6.1: A 48 TYR OH : rot 98:sc= 0.42 USER MOD Set 6.2: A 60 CYS SG : rot -93:sc= 0.975 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ 158:sc= 2.31 (180deg=2.28) USER MOD Single : A 31 MET CE :methyl 165:sc= -0.0266 (180deg=-0.444) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 THR OG1 : rot -38:sc= 0.663 USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot -140:sc= -0.132 USER MOD Single : A 42 LYS NZ :NH3+ 164:sc= -0.0146 (180deg=-0.213) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 GLN : amide:sc= 0 K(o=0,f=-0.61) USER MOD Single : A 51 GLN : amide:sc= -0.0205 K(o=-0.02,f=-0.99) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 THR OG1 : rot 93:sc= 1.32 USER MOD Single : A 66 SER OG : rot -74:sc= 1.19 USER MOD Single : A 68 ASN : amide:sc= -0.158 K(o=-0.16,f=-1.1!) USER MOD Single : A 80 CYS SG : rot -75:sc= -2.17! USER MOD Single : A 83 LYS NZ :NH3+ -158:sc= 1.29 (180deg=0.872) USER MOD Single : A 87 GLN : amide:sc= -0.195 K(o=-0.2,f=-0.83) USER MOD Single : A 94 TYR OH : rot -137:sc= 1.21 USER MOD Single : A 97 LYS NZ :NH3+ 134:sc= 1.05 (180deg=0.441) USER MOD Single : A 99 LYS NZ :NH3+ -175:sc= 1.25 (180deg=1.18) USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 103 LYS NZ :NH3+ 159:sc= -0.101 (180deg=-0.503) USER MOD Single : A 109 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 110 GLN : amide:sc= -0.0892 K(o=-0.089,f=-6.7!) USER MOD Single : A 113 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 THR OG1 : rot 180:sc= 0.0425 USER MOD Single : A 116 GLN : amide:sc= -0.188 X(o=-0.19,f=-0.08) USER MOD Single : A 120 HIS : no HD1:sc= -0.186 X(o=-0.19,f=-0.014) USER MOD Single : A 123 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 127 TYR OH : rot 180:sc= 0 USER MOD Single : A 129 ASN : amide:sc= 0.163 K(o=0.16,f=-1.3) USER MOD Single : A 130 ASN : amide:sc=-0.00282 X(o=-0.0028,f=-0.0028) USER MOD Single : B 31 LYS NZ :NH3+ 161:sc= -0.0738 (180deg=-0.457) USER MOD Single : B 34 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0825) USER MOD Single : B 38 LYS NZ :NH3+ 164:sc= 2.04 (180deg=1.82) USER MOD Single : B 39 THR OG1 : rot 47:sc= 0.587 USER MOD Single : B 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 51 ASN : amide:sc= -0.797 K(o=-0.8,f=-4.2!) USER MOD Single : B 52 SER OG : rot 180:sc= -0.701 USER MOD Single : B 53 SER OG : rot 180:sc= 0 USER MOD Single : B 55 GLN : amide:sc= 0.198 X(o=0.2,f=-0.22) USER MOD Single : B 56 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 58 LYS NZ :NH3+ 145:sc= 0.647 (180deg=0.118) USER MOD Single : B 62 SER OG : rot 147:sc= -0.367 USER MOD Single : B 63 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0439) USER MOD Single : B 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 67 SER OG : rot 180:sc= 0 USER MOD Single : B 69 THR OG1 : rot 180:sc= 0 USER MOD Single : B 79 LYS NZ :NH3+ -117:sc= -0.0453 (180deg=-0.534) USER MOD Single : B 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 84 GLN : amide:sc= 0 X(o=0,f=-0.31) USER MOD Single : B 86 THR OG1 : rot 180:sc= -0.169 USER MOD Single : B 89 GLN : amide:sc= -0.129 X(o=-0.13,f=-0.027) USER MOD Single : B 90 HIS : no HD1:sc= -0.0133 X(o=-0.013,f=-0.013) USER MOD Single : B 93 HIS : no HD1:sc= -0.101 X(o=-0.1,f=-0.37) USER MOD Single : B 99 HIS : no HE2:sc= -1.46! C(o=0.19!,f=-7.6!) USER MOD Single : B 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 21 -12.057 21.543 9.026 1.00 0.79 N ATOM 2 CA LYS A 21 -13.154 20.626 8.654 1.00 0.63 C ATOM 3 C LYS A 21 -12.614 19.457 7.842 1.00 0.53 C ATOM 4 O LYS A 21 -11.453 19.467 7.427 1.00 0.61 O ATOM 5 CB LYS A 21 -14.228 21.366 7.852 1.00 0.62 C ATOM 6 CG LYS A 21 -13.803 21.741 6.437 1.00 0.66 C ATOM 7 CD LYS A 21 -14.950 22.357 5.649 1.00 0.77 C ATOM 8 CE LYS A 21 -15.349 23.712 6.210 1.00 0.90 C ATOM 9 NZ LYS A 21 -16.661 24.169 5.684 1.00 1.10 N ATOM 0 HA LYS A 21 -13.604 20.244 9.570 1.00 0.63 H new ATOM 0 HB2 LYS A 21 -15.120 20.742 7.798 1.00 0.62 H new ATOM 0 HB3 LYS A 21 -14.506 22.273 8.389 1.00 0.62 H new ATOM 0 HG2 LYS A 21 -12.972 22.445 6.481 1.00 0.66 H new ATOM 0 HG3 LYS A 21 -13.441 20.853 5.919 1.00 0.66 H new ATOM 0 HD2 LYS A 21 -14.657 22.467 4.605 1.00 0.77 H new ATOM 0 HD3 LYS A 21 -15.809 21.686 5.671 1.00 0.77 H new ATOM 0 HE2 LYS A 21 -15.395 23.655 7.298 1.00 0.90 H new ATOM 0 HE3 LYS A 21 -14.583 24.447 5.962 1.00 0.90 H new ATOM 0 HZ1 LYS A 21 -16.895 25.097 6.092 1.00 1.10 H new ATOM 0 HZ2 LYS A 21 -16.611 24.249 4.648 1.00 1.10 H new ATOM 0 HZ3 LYS A 21 -17.397 23.482 5.943 1.00 1.10 H new ATOM 23 N TYR A 22 -13.453 18.459 7.605 1.00 0.49 N ATOM 24 CA TYR A 22 -13.044 17.291 6.845 1.00 0.49 C ATOM 25 C TYR A 22 -13.709 17.294 5.476 1.00 0.47 C ATOM 26 O TYR A 22 -14.794 17.855 5.310 1.00 0.57 O ATOM 27 CB TYR A 22 -13.408 16.006 7.594 1.00 0.56 C ATOM 28 CG TYR A 22 -13.465 16.160 9.102 1.00 0.55 C ATOM 29 CD1 TYR A 22 -12.350 16.572 9.824 1.00 0.56 C ATOM 30 CD2 TYR A 22 -14.636 15.895 9.801 1.00 0.61 C ATOM 31 CE1 TYR A 22 -12.403 16.716 11.197 1.00 0.60 C ATOM 32 CE2 TYR A 22 -14.696 16.035 11.175 1.00 0.67 C ATOM 33 CZ TYR A 22 -13.578 16.445 11.868 1.00 0.65 C ATOM 34 OH TYR A 22 -13.637 16.587 13.235 1.00 0.75 O ATOM 0 H TYR A 22 -14.420 18.436 7.929 1.00 0.49 H new ATOM 0 HA TYR A 22 -11.962 17.328 6.717 1.00 0.49 H new ATOM 0 HB2 TYR A 22 -14.377 15.654 7.239 1.00 0.56 H new ATOM 0 HB3 TYR A 22 -12.678 15.235 7.346 1.00 0.56 H new ATOM 0 HD1 TYR A 22 -11.428 16.783 9.303 1.00 0.56 H new ATOM 0 HD2 TYR A 22 -15.515 15.574 9.262 1.00 0.61 H new ATOM 0 HE1 TYR A 22 -11.529 17.039 11.743 1.00 0.60 H new ATOM 0 HE2 TYR A 22 -15.615 15.824 11.702 1.00 0.67 H new ATOM 0 HH TYR A 22 -14.536 16.358 13.549 1.00 0.75 H new ATOM 44 N LEU A 23 -13.054 16.672 4.503 1.00 0.41 N ATOM 45 CA LEU A 23 -13.581 16.590 3.146 1.00 0.43 C ATOM 46 C LEU A 23 -14.754 15.617 3.109 1.00 0.43 C ATOM 47 O LEU A 23 -15.833 15.934 2.606 1.00 0.52 O ATOM 48 CB LEU A 23 -12.485 16.124 2.177 1.00 0.45 C ATOM 49 CG LEU A 23 -11.163 16.892 2.267 1.00 0.54 C ATOM 50 CD1 LEU A 23 -10.055 16.133 1.554 1.00 0.64 C ATOM 51 CD2 LEU A 23 -11.313 18.288 1.680 1.00 0.70 C ATOM 0 H LEU A 23 -12.151 16.214 4.630 1.00 0.41 H new ATOM 0 HA LEU A 23 -13.922 17.578 2.839 1.00 0.43 H new ATOM 0 HB2 LEU A 23 -12.286 15.068 2.360 1.00 0.45 H new ATOM 0 HB3 LEU A 23 -12.865 16.205 1.159 1.00 0.45 H new ATOM 0 HG LEU A 23 -10.895 16.988 3.319 1.00 0.54 H new ATOM 0 HD11 LEU A 23 -9.123 16.694 1.629 1.00 0.64 H new ATOM 0 HD12 LEU A 23 -9.928 15.155 2.018 1.00 0.64 H new ATOM 0 HD13 LEU A 23 -10.319 16.005 0.504 1.00 0.64 H new ATOM 0 HD21 LEU A 23 -10.363 18.818 1.753 1.00 0.70 H new ATOM 0 HD22 LEU A 23 -11.607 18.213 0.633 1.00 0.70 H new ATOM 0 HD23 LEU A 23 -12.077 18.835 2.233 1.00 0.70 H new ATOM 63 N VAL A 24 -14.526 14.430 3.652 1.00 0.42 N ATOM 64 CA VAL A 24 -15.540 13.390 3.715 1.00 0.46 C ATOM 65 C VAL A 24 -15.615 12.868 5.142 1.00 0.43 C ATOM 66 O VAL A 24 -14.588 12.779 5.819 1.00 0.44 O ATOM 67 CB VAL A 24 -15.226 12.213 2.758 1.00 0.54 C ATOM 68 CG1 VAL A 24 -16.442 11.316 2.590 1.00 0.70 C ATOM 69 CG2 VAL A 24 -14.751 12.717 1.405 1.00 0.76 C ATOM 0 H VAL A 24 -13.631 14.161 4.062 1.00 0.42 H new ATOM 0 HA VAL A 24 -16.491 13.823 3.405 1.00 0.46 H new ATOM 0 HB VAL A 24 -14.422 11.628 3.204 1.00 0.54 H new ATOM 0 HG11 VAL A 24 -16.199 10.496 1.914 1.00 0.70 H new ATOM 0 HG12 VAL A 24 -16.733 10.912 3.560 1.00 0.70 H new ATOM 0 HG13 VAL A 24 -17.267 11.895 2.176 1.00 0.70 H new ATOM 0 HG21 VAL A 24 -14.538 11.868 0.755 1.00 0.76 H new ATOM 0 HG22 VAL A 24 -15.528 13.334 0.954 1.00 0.76 H new ATOM 0 HG23 VAL A 24 -13.846 13.310 1.535 1.00 0.76 H new ATOM 79 N GLU A 25 -16.818 12.565 5.609 1.00 0.45 N ATOM 80 CA GLU A 25 -17.004 12.055 6.960 1.00 0.45 C ATOM 81 C GLU A 25 -18.270 11.207 7.050 1.00 0.47 C ATOM 82 O GLU A 25 -19.352 11.650 6.662 1.00 0.55 O ATOM 83 CB GLU A 25 -17.074 13.209 7.972 1.00 0.49 C ATOM 84 CG GLU A 25 -17.789 14.446 7.447 1.00 0.56 C ATOM 85 CD GLU A 25 -18.591 15.152 8.516 1.00 0.69 C ATOM 86 OE1 GLU A 25 -18.011 15.956 9.275 1.00 0.95 O ATOM 87 OE2 GLU A 25 -19.817 14.912 8.601 1.00 0.96 O ATOM 0 H GLU A 25 -17.680 12.663 5.072 1.00 0.45 H new ATOM 0 HA GLU A 25 -16.146 11.428 7.202 1.00 0.45 H new ATOM 0 HB2 GLU A 25 -17.583 12.861 8.871 1.00 0.49 H new ATOM 0 HB3 GLU A 25 -16.061 13.484 8.266 1.00 0.49 H new ATOM 0 HG2 GLU A 25 -17.055 15.137 7.033 1.00 0.56 H new ATOM 0 HG3 GLU A 25 -18.452 14.159 6.631 1.00 0.56 H new ATOM 94 N PHE A 26 -18.135 9.985 7.548 1.00 0.43 N ATOM 95 CA PHE A 26 -19.279 9.086 7.693 1.00 0.46 C ATOM 96 C PHE A 26 -19.043 8.111 8.839 1.00 0.45 C ATOM 97 O PHE A 26 -17.919 7.973 9.325 1.00 0.44 O ATOM 98 CB PHE A 26 -19.563 8.328 6.386 1.00 0.47 C ATOM 99 CG PHE A 26 -18.394 7.553 5.843 1.00 0.46 C ATOM 100 CD1 PHE A 26 -17.490 8.150 4.977 1.00 0.51 C ATOM 101 CD2 PHE A 26 -18.207 6.223 6.187 1.00 0.48 C ATOM 102 CE1 PHE A 26 -16.422 7.437 4.468 1.00 0.55 C ATOM 103 CE2 PHE A 26 -17.142 5.506 5.679 1.00 0.49 C ATOM 104 CZ PHE A 26 -16.248 6.113 4.819 1.00 0.51 C ATOM 0 H PHE A 26 -17.247 9.591 7.859 1.00 0.43 H new ATOM 0 HA PHE A 26 -20.157 9.690 7.923 1.00 0.46 H new ATOM 0 HB2 PHE A 26 -20.392 7.640 6.554 1.00 0.47 H new ATOM 0 HB3 PHE A 26 -19.890 9.043 5.631 1.00 0.47 H new ATOM 0 HD1 PHE A 26 -17.623 9.185 4.697 1.00 0.51 H new ATOM 0 HD2 PHE A 26 -18.902 5.743 6.860 1.00 0.48 H new ATOM 0 HE1 PHE A 26 -15.724 7.915 3.796 1.00 0.55 H new ATOM 0 HE2 PHE A 26 -17.008 4.470 5.954 1.00 0.49 H new ATOM 0 HZ PHE A 26 -15.414 5.553 4.422 1.00 0.51 H new ATOM 114 N ARG A 27 -20.101 7.442 9.266 1.00 0.47 N ATOM 115 CA ARG A 27 -20.016 6.492 10.362 1.00 0.47 C ATOM 116 C ARG A 27 -19.640 5.105 9.855 1.00 0.45 C ATOM 117 O ARG A 27 -20.298 4.549 8.973 1.00 0.46 O ATOM 118 CB ARG A 27 -21.347 6.437 11.112 1.00 0.51 C ATOM 119 CG ARG A 27 -21.725 7.751 11.779 1.00 0.55 C ATOM 120 CD ARG A 27 -23.232 7.875 11.946 1.00 0.61 C ATOM 121 NE ARG A 27 -23.905 8.146 10.677 1.00 0.62 N ATOM 122 CZ ARG A 27 -25.118 8.691 10.575 1.00 0.73 C ATOM 123 NH1 ARG A 27 -25.795 9.030 11.670 1.00 0.84 N ATOM 124 NH2 ARG A 27 -25.651 8.891 9.376 1.00 0.77 N ATOM 0 H ARG A 27 -21.035 7.541 8.867 1.00 0.47 H new ATOM 0 HA ARG A 27 -19.235 6.827 11.045 1.00 0.47 H new ATOM 0 HB2 ARG A 27 -22.136 6.153 10.415 1.00 0.51 H new ATOM 0 HB3 ARG A 27 -21.295 5.656 11.870 1.00 0.51 H new ATOM 0 HG2 ARG A 27 -21.243 7.818 12.754 1.00 0.55 H new ATOM 0 HG3 ARG A 27 -21.354 8.584 11.182 1.00 0.55 H new ATOM 0 HD2 ARG A 27 -23.626 6.954 12.375 1.00 0.61 H new ATOM 0 HD3 ARG A 27 -23.454 8.676 12.652 1.00 0.61 H new ATOM 0 HE ARG A 27 -23.416 7.903 9.815 1.00 0.62 H new ATOM 0 HH11 ARG A 27 -25.386 8.873 12.591 1.00 0.84 H new ATOM 0 HH12 ARG A 27 -26.722 9.447 11.588 1.00 0.84 H new ATOM 0 HH21 ARG A 27 -25.133 8.628 8.537 1.00 0.77 H new ATOM 0 HH22 ARG A 27 -26.578 9.307 9.293 1.00 0.77 H new ATOM 138 N ALA A 28 -18.579 4.556 10.423 1.00 0.44 N ATOM 139 CA ALA A 28 -18.099 3.235 10.049 1.00 0.43 C ATOM 140 C ALA A 28 -17.305 2.617 11.193 1.00 0.42 C ATOM 141 O ALA A 28 -16.565 3.310 11.897 1.00 0.44 O ATOM 142 CB ALA A 28 -17.252 3.307 8.788 1.00 0.42 C ATOM 0 H ALA A 28 -18.029 5.010 11.152 1.00 0.44 H new ATOM 0 HA ALA A 28 -18.961 2.601 9.843 1.00 0.43 H new ATOM 0 HB1 ALA A 28 -16.903 2.308 8.526 1.00 0.42 H new ATOM 0 HB2 ALA A 28 -17.850 3.708 7.970 1.00 0.42 H new ATOM 0 HB3 ALA A 28 -16.394 3.956 8.962 1.00 0.42 H new ATOM 148 N GLY A 29 -17.467 1.318 11.378 1.00 0.43 N ATOM 149 CA GLY A 29 -16.768 0.630 12.437 1.00 0.43 C ATOM 150 C GLY A 29 -15.473 0.019 11.954 1.00 0.41 C ATOM 151 O GLY A 29 -15.411 -0.531 10.854 1.00 0.46 O ATOM 0 H GLY A 29 -18.073 0.726 10.810 1.00 0.43 H new ATOM 0 HA2 GLY A 29 -16.560 1.328 13.248 1.00 0.43 H new ATOM 0 HA3 GLY A 29 -17.408 -0.152 12.846 1.00 0.43 H new ATOM 155 N LYS A 30 -14.441 0.120 12.774 1.00 0.42 N ATOM 156 CA LYS A 30 -13.132 -0.425 12.433 1.00 0.42 C ATOM 157 C LYS A 30 -13.068 -1.909 12.783 1.00 0.41 C ATOM 158 O LYS A 30 -14.018 -2.471 13.330 1.00 0.45 O ATOM 159 CB LYS A 30 -12.026 0.336 13.177 1.00 0.48 C ATOM 160 CG LYS A 30 -12.136 0.234 14.688 1.00 0.54 C ATOM 161 CD LYS A 30 -11.118 1.115 15.394 1.00 0.67 C ATOM 162 CE LYS A 30 -9.737 0.479 15.429 1.00 0.70 C ATOM 163 NZ LYS A 30 -8.715 1.418 15.960 1.00 0.60 N ATOM 0 H LYS A 30 -14.482 0.576 13.685 1.00 0.42 H new ATOM 0 HA LYS A 30 -12.979 -0.308 11.360 1.00 0.42 H new ATOM 0 HB2 LYS A 30 -11.056 -0.050 12.864 1.00 0.48 H new ATOM 0 HB3 LYS A 30 -12.060 1.386 12.888 1.00 0.48 H new ATOM 0 HG2 LYS A 30 -13.141 0.521 14.998 1.00 0.54 H new ATOM 0 HG3 LYS A 30 -11.992 -0.803 14.993 1.00 0.54 H new ATOM 0 HD2 LYS A 30 -11.060 2.079 14.888 1.00 0.67 H new ATOM 0 HD3 LYS A 30 -11.453 1.310 16.413 1.00 0.67 H new ATOM 0 HE2 LYS A 30 -9.764 -0.418 16.048 1.00 0.70 H new ATOM 0 HE3 LYS A 30 -9.455 0.164 14.424 1.00 0.70 H new ATOM 0 HZ1 LYS A 30 -7.901 0.879 16.318 1.00 0.60 H new ATOM 0 HZ2 LYS A 30 -8.401 2.055 15.200 1.00 0.60 H new ATOM 0 HZ3 LYS A 30 -9.127 1.978 16.734 1.00 0.60 H new ATOM 177 N MET A 31 -11.954 -2.543 12.447 1.00 0.43 N ATOM 178 CA MET A 31 -11.751 -3.953 12.743 1.00 0.44 C ATOM 179 C MET A 31 -10.316 -4.158 13.199 1.00 0.46 C ATOM 180 O MET A 31 -9.426 -3.396 12.814 1.00 0.55 O ATOM 181 CB MET A 31 -12.048 -4.827 11.518 1.00 0.46 C ATOM 182 CG MET A 31 -13.427 -4.598 10.914 1.00 0.47 C ATOM 183 SD MET A 31 -14.073 -6.046 10.051 1.00 0.54 S ATOM 184 CE MET A 31 -15.562 -5.358 9.327 1.00 0.61 C ATOM 0 H MET A 31 -11.172 -2.099 11.966 1.00 0.43 H new ATOM 0 HA MET A 31 -12.439 -4.251 13.534 1.00 0.44 H new ATOM 0 HB2 MET A 31 -11.292 -4.636 10.756 1.00 0.46 H new ATOM 0 HB3 MET A 31 -11.956 -5.875 11.802 1.00 0.46 H new ATOM 0 HG2 MET A 31 -14.121 -4.315 11.705 1.00 0.47 H new ATOM 0 HG3 MET A 31 -13.378 -3.760 10.218 1.00 0.47 H new ATOM 0 HE1 MET A 31 -15.935 -6.030 8.555 1.00 0.61 H new ATOM 0 HE2 MET A 31 -16.320 -5.237 10.100 1.00 0.61 H new ATOM 0 HE3 MET A 31 -15.337 -4.387 8.885 1.00 0.61 H new ATOM 194 N SER A 32 -10.084 -5.164 14.019 1.00 0.49 N ATOM 195 CA SER A 32 -8.748 -5.431 14.517 1.00 0.52 C ATOM 196 C SER A 32 -8.352 -6.889 14.314 1.00 0.52 C ATOM 197 O SER A 32 -9.132 -7.806 14.575 1.00 0.54 O ATOM 198 CB SER A 32 -8.664 -5.057 15.996 1.00 0.59 C ATOM 199 OG SER A 32 -9.102 -3.723 16.202 1.00 0.93 O ATOM 0 H SER A 32 -10.800 -5.808 14.354 1.00 0.49 H new ATOM 0 HA SER A 32 -8.047 -4.821 13.948 1.00 0.52 H new ATOM 0 HB2 SER A 32 -9.276 -5.741 16.584 1.00 0.59 H new ATOM 0 HB3 SER A 32 -7.638 -5.166 16.346 1.00 0.59 H new ATOM 0 HG SER A 32 -9.043 -3.503 17.155 1.00 0.93 H new ATOM 205 N LEU A 33 -7.134 -7.087 13.834 1.00 0.54 N ATOM 206 CA LEU A 33 -6.598 -8.417 13.601 1.00 0.56 C ATOM 207 C LEU A 33 -6.048 -8.990 14.902 1.00 0.58 C ATOM 208 O LEU A 33 -4.860 -8.861 15.203 1.00 0.63 O ATOM 209 CB LEU A 33 -5.501 -8.361 12.531 1.00 0.58 C ATOM 210 CG LEU A 33 -4.861 -9.704 12.165 1.00 0.61 C ATOM 211 CD1 LEU A 33 -5.855 -10.587 11.431 1.00 0.62 C ATOM 212 CD2 LEU A 33 -3.614 -9.487 11.321 1.00 0.67 C ATOM 0 H LEU A 33 -6.491 -6.332 13.596 1.00 0.54 H new ATOM 0 HA LEU A 33 -7.397 -9.067 13.244 1.00 0.56 H new ATOM 0 HB2 LEU A 33 -5.923 -7.922 11.627 1.00 0.58 H new ATOM 0 HB3 LEU A 33 -4.716 -7.688 12.876 1.00 0.58 H new ATOM 0 HG LEU A 33 -4.570 -10.209 13.086 1.00 0.61 H new ATOM 0 HD11 LEU A 33 -5.382 -11.536 11.179 1.00 0.62 H new ATOM 0 HD12 LEU A 33 -6.719 -10.770 12.069 1.00 0.62 H new ATOM 0 HD13 LEU A 33 -6.178 -10.089 10.517 1.00 0.62 H new ATOM 0 HD21 LEU A 33 -3.172 -10.451 11.070 1.00 0.67 H new ATOM 0 HD22 LEU A 33 -3.882 -8.961 10.405 1.00 0.67 H new ATOM 0 HD23 LEU A 33 -2.893 -8.893 11.883 1.00 0.67 H new ATOM 224 N LYS A 34 -6.924 -9.602 15.682 1.00 0.59 N ATOM 225 CA LYS A 34 -6.538 -10.189 16.955 1.00 0.63 C ATOM 226 C LYS A 34 -5.926 -11.563 16.730 1.00 0.65 C ATOM 227 O LYS A 34 -6.628 -12.521 16.386 1.00 0.68 O ATOM 228 CB LYS A 34 -7.753 -10.276 17.881 1.00 0.66 C ATOM 229 CG LYS A 34 -8.407 -8.929 18.131 1.00 0.68 C ATOM 230 CD LYS A 34 -9.680 -9.055 18.955 1.00 0.76 C ATOM 231 CE LYS A 34 -10.338 -7.696 19.149 1.00 0.84 C ATOM 232 NZ LYS A 34 -11.577 -7.770 19.972 1.00 1.01 N ATOM 0 H LYS A 34 -7.913 -9.706 15.454 1.00 0.59 H new ATOM 0 HA LYS A 34 -5.790 -9.555 17.431 1.00 0.63 H new ATOM 0 HB2 LYS A 34 -8.487 -10.954 17.446 1.00 0.66 H new ATOM 0 HB3 LYS A 34 -7.446 -10.707 18.834 1.00 0.66 H new ATOM 0 HG2 LYS A 34 -7.704 -8.276 18.648 1.00 0.68 H new ATOM 0 HG3 LYS A 34 -8.639 -8.456 17.177 1.00 0.68 H new ATOM 0 HD2 LYS A 34 -10.374 -9.732 18.458 1.00 0.76 H new ATOM 0 HD3 LYS A 34 -9.448 -9.493 19.926 1.00 0.76 H new ATOM 0 HE2 LYS A 34 -9.630 -7.019 19.626 1.00 0.84 H new ATOM 0 HE3 LYS A 34 -10.579 -7.271 18.175 1.00 0.84 H new ATOM 0 HZ1 LYS A 34 -11.984 -6.818 20.073 1.00 1.01 H new ATOM 0 HZ2 LYS A 34 -12.266 -8.394 19.506 1.00 1.01 H new ATOM 0 HZ3 LYS A 34 -11.347 -8.149 20.913 1.00 1.01 H new ATOM 246 N GLY A 35 -4.612 -11.642 16.894 1.00 0.66 N ATOM 247 CA GLY A 35 -3.903 -12.891 16.695 1.00 0.70 C ATOM 248 C GLY A 35 -3.755 -13.214 15.227 1.00 0.70 C ATOM 249 O GLY A 35 -2.689 -13.036 14.645 1.00 0.75 O ATOM 0 H GLY A 35 -4.020 -10.856 17.164 1.00 0.66 H new ATOM 0 HA2 GLY A 35 -2.917 -12.829 17.156 1.00 0.70 H new ATOM 0 HA3 GLY A 35 -4.438 -13.698 17.194 1.00 0.70 H new ATOM 253 N THR A 36 -4.837 -13.679 14.633 1.00 0.68 N ATOM 254 CA THR A 36 -4.862 -14.021 13.225 1.00 0.70 C ATOM 255 C THR A 36 -6.305 -14.002 12.723 1.00 0.68 C ATOM 256 O THR A 36 -6.610 -14.447 11.616 1.00 0.72 O ATOM 257 CB THR A 36 -4.201 -15.401 12.975 1.00 0.75 C ATOM 258 OG1 THR A 36 -4.141 -15.687 11.572 1.00 0.82 O ATOM 259 CG2 THR A 36 -4.959 -16.509 13.689 1.00 0.77 C ATOM 0 H THR A 36 -5.724 -13.830 15.114 1.00 0.68 H new ATOM 0 HA THR A 36 -4.285 -13.282 12.670 1.00 0.70 H new ATOM 0 HB THR A 36 -3.188 -15.357 13.375 1.00 0.75 H new ATOM 0 HG1 THR A 36 -4.956 -15.361 11.137 1.00 0.82 H new ATOM 0 HG21 THR A 36 -4.473 -17.465 13.496 1.00 0.77 H new ATOM 0 HG22 THR A 36 -4.963 -16.314 14.761 1.00 0.77 H new ATOM 0 HG23 THR A 36 -5.985 -16.543 13.322 1.00 0.77 H new ATOM 267 N THR A 37 -7.189 -13.453 13.544 1.00 0.66 N ATOM 268 CA THR A 37 -8.599 -13.369 13.210 1.00 0.66 C ATOM 269 C THR A 37 -9.069 -11.920 13.210 1.00 0.61 C ATOM 270 O THR A 37 -8.928 -11.208 14.211 1.00 0.61 O ATOM 271 CB THR A 37 -9.445 -14.176 14.210 1.00 0.71 C ATOM 272 OG1 THR A 37 -8.778 -15.409 14.520 1.00 0.79 O ATOM 273 CG2 THR A 37 -10.830 -14.463 13.646 1.00 0.81 C ATOM 0 H THR A 37 -6.949 -13.057 14.453 1.00 0.66 H new ATOM 0 HA THR A 37 -8.727 -13.787 12.212 1.00 0.66 H new ATOM 0 HB THR A 37 -9.563 -13.586 15.119 1.00 0.71 H new ATOM 0 HG1 THR A 37 -9.317 -15.921 15.158 1.00 0.79 H new ATOM 0 HG21 THR A 37 -11.407 -15.035 14.373 1.00 0.81 H new ATOM 0 HG22 THR A 37 -11.340 -13.523 13.436 1.00 0.81 H new ATOM 0 HG23 THR A 37 -10.736 -15.038 12.725 1.00 0.81 H new ATOM 281 N VAL A 38 -9.612 -11.478 12.087 1.00 0.60 N ATOM 282 CA VAL A 38 -10.112 -10.119 11.972 1.00 0.57 C ATOM 283 C VAL A 38 -11.413 -9.982 12.747 1.00 0.57 C ATOM 284 O VAL A 38 -12.446 -10.527 12.353 1.00 0.64 O ATOM 285 CB VAL A 38 -10.344 -9.706 10.503 1.00 0.57 C ATOM 286 CG1 VAL A 38 -10.857 -8.278 10.423 1.00 0.59 C ATOM 287 CG2 VAL A 38 -9.061 -9.852 9.699 1.00 0.61 C ATOM 0 H VAL A 38 -9.717 -12.041 11.243 1.00 0.60 H new ATOM 0 HA VAL A 38 -9.353 -9.456 12.388 1.00 0.57 H new ATOM 0 HB VAL A 38 -11.098 -10.368 10.077 1.00 0.57 H new ATOM 0 HG11 VAL A 38 -11.014 -8.006 9.379 1.00 0.59 H new ATOM 0 HG12 VAL A 38 -11.800 -8.199 10.965 1.00 0.59 H new ATOM 0 HG13 VAL A 38 -10.126 -7.603 10.868 1.00 0.59 H new ATOM 0 HG21 VAL A 38 -9.243 -9.556 8.666 1.00 0.61 H new ATOM 0 HG22 VAL A 38 -8.288 -9.214 10.128 1.00 0.61 H new ATOM 0 HG23 VAL A 38 -8.731 -10.890 9.726 1.00 0.61 H new ATOM 297 N THR A 39 -11.352 -9.282 13.865 1.00 0.56 N ATOM 298 CA THR A 39 -12.515 -9.076 14.703 1.00 0.58 C ATOM 299 C THR A 39 -13.019 -7.640 14.568 1.00 0.55 C ATOM 300 O THR A 39 -12.269 -6.692 14.802 1.00 0.55 O ATOM 301 CB THR A 39 -12.180 -9.372 16.175 1.00 0.64 C ATOM 302 OG1 THR A 39 -11.182 -10.404 16.247 1.00 0.67 O ATOM 303 CG2 THR A 39 -13.420 -9.812 16.936 1.00 0.74 C ATOM 0 H THR A 39 -10.500 -8.844 14.215 1.00 0.56 H new ATOM 0 HA THR A 39 -13.297 -9.761 14.375 1.00 0.58 H new ATOM 0 HB THR A 39 -11.799 -8.458 16.631 1.00 0.64 H new ATOM 0 HG1 THR A 39 -11.393 -11.013 16.985 1.00 0.67 H new ATOM 0 HG21 THR A 39 -13.157 -10.015 17.974 1.00 0.74 H new ATOM 0 HG22 THR A 39 -14.169 -9.021 16.900 1.00 0.74 H new ATOM 0 HG23 THR A 39 -13.825 -10.716 16.481 1.00 0.74 H new ATOM 311 N PRO A 40 -14.278 -7.457 14.153 1.00 0.55 N ATOM 312 CA PRO A 40 -14.862 -6.125 13.996 1.00 0.54 C ATOM 313 C PRO A 40 -15.082 -5.430 15.338 1.00 0.56 C ATOM 314 O PRO A 40 -15.369 -6.079 16.347 1.00 0.63 O ATOM 315 CB PRO A 40 -16.209 -6.388 13.308 1.00 0.56 C ATOM 316 CG PRO A 40 -16.167 -7.806 12.854 1.00 0.65 C ATOM 317 CD PRO A 40 -15.229 -8.517 13.785 1.00 0.58 C ATOM 0 HA PRO A 40 -14.206 -5.464 13.429 1.00 0.54 H new ATOM 0 HB2 PRO A 40 -17.038 -6.223 13.996 1.00 0.56 H new ATOM 0 HB3 PRO A 40 -16.355 -5.712 12.465 1.00 0.56 H new ATOM 0 HG2 PRO A 40 -17.160 -8.254 12.885 1.00 0.65 H new ATOM 0 HG3 PRO A 40 -15.819 -7.874 11.823 1.00 0.65 H new ATOM 0 HD2 PRO A 40 -15.748 -8.916 14.656 1.00 0.58 H new ATOM 0 HD3 PRO A 40 -14.732 -9.356 13.297 1.00 0.58 H new ATOM 325 N ASP A 41 -14.921 -4.114 15.345 1.00 0.53 N ATOM 326 CA ASP A 41 -15.122 -3.323 16.551 1.00 0.56 C ATOM 327 C ASP A 41 -16.614 -3.097 16.753 1.00 0.58 C ATOM 328 O ASP A 41 -17.375 -3.095 15.785 1.00 0.66 O ATOM 329 CB ASP A 41 -14.397 -1.980 16.434 1.00 0.57 C ATOM 330 CG ASP A 41 -13.877 -1.471 17.760 1.00 0.61 C ATOM 331 OD1 ASP A 41 -14.675 -1.339 18.710 1.00 0.64 O ATOM 332 OD2 ASP A 41 -12.662 -1.194 17.861 1.00 0.68 O ATOM 0 H ASP A 41 -14.651 -3.570 14.526 1.00 0.53 H new ATOM 0 HA ASP A 41 -14.713 -3.859 17.408 1.00 0.56 H new ATOM 0 HB2 ASP A 41 -13.564 -2.083 15.739 1.00 0.57 H new ATOM 0 HB3 ASP A 41 -15.077 -1.242 16.009 1.00 0.57 H new ATOM 337 N LYS A 42 -17.033 -2.902 17.993 1.00 0.61 N ATOM 338 CA LYS A 42 -18.448 -2.701 18.290 1.00 0.64 C ATOM 339 C LYS A 42 -18.735 -1.255 18.671 1.00 0.64 C ATOM 340 O LYS A 42 -19.845 -0.921 19.091 1.00 0.76 O ATOM 341 CB LYS A 42 -18.898 -3.634 19.414 1.00 0.71 C ATOM 342 CG LYS A 42 -18.724 -5.107 19.087 1.00 0.72 C ATOM 343 CD LYS A 42 -19.477 -5.986 20.066 1.00 0.84 C ATOM 344 CE LYS A 42 -19.000 -7.426 20.000 1.00 0.90 C ATOM 345 NZ LYS A 42 -17.636 -7.584 20.577 1.00 1.08 N ATOM 0 H LYS A 42 -16.420 -2.878 18.808 1.00 0.61 H new ATOM 0 HA LYS A 42 -19.010 -2.934 17.386 1.00 0.64 H new ATOM 0 HB2 LYS A 42 -18.333 -3.401 20.316 1.00 0.71 H new ATOM 0 HB3 LYS A 42 -19.947 -3.441 19.637 1.00 0.71 H new ATOM 0 HG2 LYS A 42 -19.079 -5.301 18.075 1.00 0.72 H new ATOM 0 HG3 LYS A 42 -17.665 -5.363 19.107 1.00 0.72 H new ATOM 0 HD2 LYS A 42 -19.343 -5.603 21.078 1.00 0.84 H new ATOM 0 HD3 LYS A 42 -20.544 -5.945 19.848 1.00 0.84 H new ATOM 0 HE2 LYS A 42 -19.699 -8.065 20.539 1.00 0.90 H new ATOM 0 HE3 LYS A 42 -18.997 -7.761 18.963 1.00 0.90 H new ATOM 0 HZ1 LYS A 42 -17.453 -8.590 20.764 1.00 1.08 H new ATOM 0 HZ2 LYS A 42 -16.930 -7.223 19.904 1.00 1.08 H new ATOM 0 HZ3 LYS A 42 -17.571 -7.049 21.466 1.00 1.08 H new ATOM 359 N ARG A 43 -17.738 -0.401 18.526 1.00 0.58 N ATOM 360 CA ARG A 43 -17.896 1.006 18.858 1.00 0.58 C ATOM 361 C ARG A 43 -18.272 1.813 17.624 1.00 0.55 C ATOM 362 O ARG A 43 -17.967 1.424 16.494 1.00 0.55 O ATOM 363 CB ARG A 43 -16.608 1.554 19.467 1.00 0.58 C ATOM 364 CG ARG A 43 -16.208 0.864 20.757 1.00 0.60 C ATOM 365 CD ARG A 43 -14.802 1.245 21.175 1.00 0.60 C ATOM 366 NE ARG A 43 -13.810 0.841 20.179 1.00 0.57 N ATOM 367 CZ ARG A 43 -12.653 1.471 19.986 1.00 0.57 C ATOM 368 NH1 ARG A 43 -12.346 2.539 20.711 1.00 0.62 N ATOM 369 NH2 ARG A 43 -11.803 1.034 19.066 1.00 0.57 N ATOM 0 H ARG A 43 -16.812 -0.655 18.182 1.00 0.58 H new ATOM 0 HA ARG A 43 -18.700 1.095 19.588 1.00 0.58 H new ATOM 0 HB2 ARG A 43 -15.800 1.450 18.743 1.00 0.58 H new ATOM 0 HB3 ARG A 43 -16.730 2.620 19.657 1.00 0.58 H new ATOM 0 HG2 ARG A 43 -16.909 1.132 21.547 1.00 0.60 H new ATOM 0 HG3 ARG A 43 -16.271 -0.217 20.628 1.00 0.60 H new ATOM 0 HD2 ARG A 43 -14.747 2.323 21.326 1.00 0.60 H new ATOM 0 HD3 ARG A 43 -14.568 0.777 22.131 1.00 0.60 H new ATOM 0 HE ARG A 43 -14.017 0.029 19.598 1.00 0.57 H new ATOM 0 HH11 ARG A 43 -12.997 2.879 21.418 1.00 0.62 H new ATOM 0 HH12 ARG A 43 -11.459 3.020 20.561 1.00 0.62 H new ATOM 0 HH21 ARG A 43 -12.035 0.214 18.505 1.00 0.57 H new ATOM 0 HH22 ARG A 43 -10.917 1.518 18.919 1.00 0.57 H new ATOM 383 N LYS A 44 -18.951 2.926 17.845 1.00 0.57 N ATOM 384 CA LYS A 44 -19.352 3.800 16.759 1.00 0.56 C ATOM 385 C LYS A 44 -18.178 4.685 16.373 1.00 0.53 C ATOM 386 O LYS A 44 -17.596 5.359 17.224 1.00 0.59 O ATOM 387 CB LYS A 44 -20.559 4.648 17.169 1.00 0.62 C ATOM 388 CG LYS A 44 -21.799 3.822 17.483 1.00 0.70 C ATOM 389 CD LYS A 44 -22.950 4.688 17.975 1.00 0.79 C ATOM 390 CE LYS A 44 -24.145 3.845 18.382 1.00 0.93 C ATOM 391 NZ LYS A 44 -25.127 4.623 19.184 1.00 1.07 N ATOM 0 H LYS A 44 -19.236 3.245 18.771 1.00 0.57 H new ATOM 0 HA LYS A 44 -19.646 3.198 15.899 1.00 0.56 H new ATOM 0 HB2 LYS A 44 -20.296 5.242 18.044 1.00 0.62 H new ATOM 0 HB3 LYS A 44 -20.791 5.348 16.367 1.00 0.62 H new ATOM 0 HG2 LYS A 44 -22.109 3.279 16.590 1.00 0.70 H new ATOM 0 HG3 LYS A 44 -21.556 3.077 18.240 1.00 0.70 H new ATOM 0 HD2 LYS A 44 -22.619 5.287 18.824 1.00 0.79 H new ATOM 0 HD3 LYS A 44 -23.245 5.384 17.190 1.00 0.79 H new ATOM 0 HE2 LYS A 44 -24.634 3.454 17.490 1.00 0.93 H new ATOM 0 HE3 LYS A 44 -23.803 2.987 18.960 1.00 0.93 H new ATOM 0 HZ1 LYS A 44 -25.927 4.011 19.442 1.00 1.07 H new ATOM 0 HZ2 LYS A 44 -24.668 4.975 20.048 1.00 1.07 H new ATOM 0 HZ3 LYS A 44 -25.473 5.428 18.624 1.00 1.07 H new ATOM 405 N GLY A 45 -17.821 4.680 15.101 1.00 0.52 N ATOM 406 CA GLY A 45 -16.695 5.472 14.662 1.00 0.51 C ATOM 407 C GLY A 45 -17.015 6.362 13.487 1.00 0.48 C ATOM 408 O GLY A 45 -17.939 6.092 12.718 1.00 0.50 O ATOM 0 H GLY A 45 -18.287 4.145 14.368 1.00 0.52 H new ATOM 0 HA2 GLY A 45 -16.347 6.088 15.491 1.00 0.51 H new ATOM 0 HA3 GLY A 45 -15.875 4.807 14.393 1.00 0.51 H new ATOM 412 N LEU A 46 -16.248 7.429 13.362 1.00 0.46 N ATOM 413 CA LEU A 46 -16.417 8.383 12.286 1.00 0.45 C ATOM 414 C LEU A 46 -15.167 8.411 11.418 1.00 0.41 C ATOM 415 O LEU A 46 -14.091 8.810 11.870 1.00 0.42 O ATOM 416 CB LEU A 46 -16.690 9.779 12.855 1.00 0.47 C ATOM 417 CG LEU A 46 -17.130 10.832 11.836 1.00 0.51 C ATOM 418 CD1 LEU A 46 -18.623 10.718 11.553 1.00 0.56 C ATOM 419 CD2 LEU A 46 -16.779 12.229 12.330 1.00 0.59 C ATOM 0 H LEU A 46 -15.490 7.657 14.005 1.00 0.46 H new ATOM 0 HA LEU A 46 -17.268 8.080 11.676 1.00 0.45 H new ATOM 0 HB2 LEU A 46 -17.461 9.696 13.621 1.00 0.47 H new ATOM 0 HB3 LEU A 46 -15.786 10.133 13.350 1.00 0.47 H new ATOM 0 HG LEU A 46 -16.595 10.653 10.903 1.00 0.51 H new ATOM 0 HD11 LEU A 46 -18.914 11.476 10.826 1.00 0.56 H new ATOM 0 HD12 LEU A 46 -18.843 9.728 11.153 1.00 0.56 H new ATOM 0 HD13 LEU A 46 -19.181 10.868 12.477 1.00 0.56 H new ATOM 0 HD21 LEU A 46 -17.099 12.966 11.594 1.00 0.59 H new ATOM 0 HD22 LEU A 46 -17.286 12.418 13.276 1.00 0.59 H new ATOM 0 HD23 LEU A 46 -15.701 12.304 12.474 1.00 0.59 H new ATOM 431 N VAL A 47 -15.305 7.961 10.185 1.00 0.40 N ATOM 432 CA VAL A 47 -14.195 7.953 9.250 1.00 0.39 C ATOM 433 C VAL A 47 -14.175 9.275 8.502 1.00 0.37 C ATOM 434 O VAL A 47 -15.118 9.602 7.776 1.00 0.40 O ATOM 435 CB VAL A 47 -14.302 6.788 8.242 1.00 0.41 C ATOM 436 CG1 VAL A 47 -13.166 6.843 7.229 1.00 0.57 C ATOM 437 CG2 VAL A 47 -14.299 5.454 8.964 1.00 0.43 C ATOM 0 H VAL A 47 -16.178 7.595 9.806 1.00 0.40 H new ATOM 0 HA VAL A 47 -13.272 7.817 9.813 1.00 0.39 H new ATOM 0 HB VAL A 47 -15.246 6.891 7.707 1.00 0.41 H new ATOM 0 HG11 VAL A 47 -13.262 6.013 6.529 1.00 0.57 H new ATOM 0 HG12 VAL A 47 -13.211 7.785 6.683 1.00 0.57 H new ATOM 0 HG13 VAL A 47 -12.211 6.770 7.749 1.00 0.57 H new ATOM 0 HG21 VAL A 47 -14.375 4.646 8.236 1.00 0.43 H new ATOM 0 HG22 VAL A 47 -13.373 5.348 9.528 1.00 0.43 H new ATOM 0 HG23 VAL A 47 -15.147 5.408 9.647 1.00 0.43 H new ATOM 447 N TYR A 48 -13.114 10.037 8.684 1.00 0.37 N ATOM 448 CA TYR A 48 -13.007 11.330 8.039 1.00 0.37 C ATOM 449 C TYR A 48 -11.690 11.476 7.293 1.00 0.34 C ATOM 450 O TYR A 48 -10.676 10.884 7.667 1.00 0.36 O ATOM 451 CB TYR A 48 -13.158 12.454 9.073 1.00 0.43 C ATOM 452 CG TYR A 48 -11.950 12.645 9.969 1.00 0.44 C ATOM 453 CD1 TYR A 48 -11.796 11.909 11.137 1.00 0.63 C ATOM 454 CD2 TYR A 48 -10.962 13.566 9.641 1.00 0.46 C ATOM 455 CE1 TYR A 48 -10.692 12.087 11.951 1.00 0.73 C ATOM 456 CE2 TYR A 48 -9.856 13.747 10.448 1.00 0.54 C ATOM 457 CZ TYR A 48 -9.727 13.008 11.599 1.00 0.64 C ATOM 458 OH TYR A 48 -8.620 13.184 12.400 1.00 0.78 O ATOM 0 H TYR A 48 -12.318 9.785 9.270 1.00 0.37 H new ATOM 0 HA TYR A 48 -13.813 11.404 7.309 1.00 0.37 H new ATOM 0 HB2 TYR A 48 -13.359 13.389 8.549 1.00 0.43 H new ATOM 0 HB3 TYR A 48 -14.028 12.244 9.696 1.00 0.43 H new ATOM 0 HD1 TYR A 48 -12.550 11.187 11.414 1.00 0.63 H new ATOM 0 HD2 TYR A 48 -11.061 14.151 8.738 1.00 0.46 H new ATOM 0 HE1 TYR A 48 -10.586 11.508 12.857 1.00 0.73 H new ATOM 0 HE2 TYR A 48 -9.097 14.465 10.176 1.00 0.54 H new ATOM 0 HH TYR A 48 -7.867 12.674 12.035 1.00 0.78 H new ATOM 468 N ILE A 49 -11.728 12.260 6.228 1.00 0.33 N ATOM 469 CA ILE A 49 -10.550 12.534 5.421 1.00 0.32 C ATOM 470 C ILE A 49 -10.244 14.026 5.474 1.00 0.30 C ATOM 471 O ILE A 49 -11.016 14.844 4.969 1.00 0.35 O ATOM 472 CB ILE A 49 -10.742 12.102 3.949 1.00 0.37 C ATOM 473 CG1 ILE A 49 -11.031 10.602 3.867 1.00 0.48 C ATOM 474 CG2 ILE A 49 -9.509 12.452 3.130 1.00 0.41 C ATOM 475 CD1 ILE A 49 -11.500 10.153 2.501 1.00 0.69 C ATOM 0 H ILE A 49 -12.575 12.724 5.899 1.00 0.33 H new ATOM 0 HA ILE A 49 -9.721 11.956 5.830 1.00 0.32 H new ATOM 0 HB ILE A 49 -11.595 12.641 3.537 1.00 0.37 H new ATOM 0 HG12 ILE A 49 -10.129 10.051 4.132 1.00 0.48 H new ATOM 0 HG13 ILE A 49 -11.790 10.345 4.606 1.00 0.48 H new ATOM 0 HG21 ILE A 49 -9.659 12.142 2.096 1.00 0.41 H new ATOM 0 HG22 ILE A 49 -9.342 13.529 3.165 1.00 0.41 H new ATOM 0 HG23 ILE A 49 -8.641 11.937 3.541 1.00 0.41 H new ATOM 0 HD11 ILE A 49 -11.686 9.079 2.515 1.00 0.69 H new ATOM 0 HD12 ILE A 49 -12.420 10.677 2.242 1.00 0.69 H new ATOM 0 HD13 ILE A 49 -10.733 10.379 1.761 1.00 0.69 H new ATOM 487 N GLN A 50 -9.139 14.377 6.108 1.00 0.30 N ATOM 488 CA GLN A 50 -8.746 15.770 6.231 1.00 0.33 C ATOM 489 C GLN A 50 -7.380 15.994 5.589 1.00 0.30 C ATOM 490 O GLN A 50 -6.570 15.074 5.503 1.00 0.36 O ATOM 491 CB GLN A 50 -8.717 16.176 7.708 1.00 0.42 C ATOM 492 CG GLN A 50 -8.489 17.662 7.930 1.00 0.51 C ATOM 493 CD GLN A 50 -8.502 18.049 9.394 1.00 0.66 C ATOM 494 OE1 GLN A 50 -8.216 17.232 10.272 1.00 0.82 O ATOM 495 NE2 GLN A 50 -8.812 19.304 9.664 1.00 0.86 N ATOM 0 H GLN A 50 -8.497 13.716 6.546 1.00 0.30 H new ATOM 0 HA GLN A 50 -9.476 16.390 5.711 1.00 0.33 H new ATOM 0 HB2 GLN A 50 -9.660 15.889 8.173 1.00 0.42 H new ATOM 0 HB3 GLN A 50 -7.929 15.617 8.214 1.00 0.42 H new ATOM 0 HG2 GLN A 50 -7.532 17.947 7.493 1.00 0.51 H new ATOM 0 HG3 GLN A 50 -9.260 18.225 7.404 1.00 0.51 H new ATOM 0 HE21 GLN A 50 -9.042 19.947 8.906 1.00 0.86 H new ATOM 0 HE22 GLN A 50 -8.821 19.631 10.630 1.00 0.86 H new ATOM 504 N GLN A 51 -7.136 17.207 5.120 1.00 0.37 N ATOM 505 CA GLN A 51 -5.866 17.532 4.494 1.00 0.37 C ATOM 506 C GLN A 51 -5.176 18.655 5.256 1.00 0.39 C ATOM 507 O GLN A 51 -5.814 19.640 5.639 1.00 0.51 O ATOM 508 CB GLN A 51 -6.077 17.934 3.033 1.00 0.44 C ATOM 509 CG GLN A 51 -4.785 18.004 2.239 1.00 0.52 C ATOM 510 CD GLN A 51 -4.947 18.723 0.917 1.00 0.72 C ATOM 511 OE1 GLN A 51 -5.732 19.667 0.800 1.00 0.91 O ATOM 512 NE2 GLN A 51 -4.214 18.272 -0.089 1.00 0.93 N ATOM 0 H GLN A 51 -7.799 17.981 5.161 1.00 0.37 H new ATOM 0 HA GLN A 51 -5.230 16.648 4.521 1.00 0.37 H new ATOM 0 HB2 GLN A 51 -6.749 17.218 2.559 1.00 0.44 H new ATOM 0 HB3 GLN A 51 -6.570 18.905 2.998 1.00 0.44 H new ATOM 0 HG2 GLN A 51 -4.026 18.513 2.833 1.00 0.52 H new ATOM 0 HG3 GLN A 51 -4.422 16.993 2.055 1.00 0.52 H new ATOM 0 HE21 GLN A 51 -3.578 17.488 0.055 1.00 0.93 H new ATOM 0 HE22 GLN A 51 -4.286 18.709 -1.008 1.00 0.93 H new ATOM 521 N THR A 52 -3.885 18.497 5.496 1.00 0.38 N ATOM 522 CA THR A 52 -3.114 19.500 6.207 1.00 0.45 C ATOM 523 C THR A 52 -2.507 20.515 5.237 1.00 0.36 C ATOM 524 O THR A 52 -2.663 20.397 4.020 1.00 0.33 O ATOM 525 CB THR A 52 -1.996 18.833 7.029 1.00 0.59 C ATOM 526 OG1 THR A 52 -1.771 17.505 6.543 1.00 0.65 O ATOM 527 CG2 THR A 52 -2.354 18.778 8.504 1.00 0.80 C ATOM 0 H THR A 52 -3.348 17.679 5.207 1.00 0.38 H new ATOM 0 HA THR A 52 -3.790 20.026 6.881 1.00 0.45 H new ATOM 0 HB THR A 52 -1.091 19.430 6.919 1.00 0.59 H new ATOM 0 HG1 THR A 52 -1.186 17.539 5.757 1.00 0.65 H new ATOM 0 HG21 THR A 52 -1.545 18.302 9.057 1.00 0.80 H new ATOM 0 HG22 THR A 52 -2.504 19.790 8.880 1.00 0.80 H new ATOM 0 HG23 THR A 52 -3.271 18.203 8.635 1.00 0.80 H new ATOM 535 N ASP A 53 -1.816 21.508 5.789 1.00 0.40 N ATOM 536 CA ASP A 53 -1.171 22.563 4.999 1.00 0.41 C ATOM 537 C ASP A 53 -0.105 21.988 4.074 1.00 0.39 C ATOM 538 O ASP A 53 0.172 22.534 3.005 1.00 0.52 O ATOM 539 CB ASP A 53 -0.532 23.595 5.934 1.00 0.52 C ATOM 540 CG ASP A 53 0.523 22.980 6.837 1.00 0.62 C ATOM 541 OD1 ASP A 53 0.154 22.446 7.907 1.00 0.77 O ATOM 542 OD2 ASP A 53 1.718 23.015 6.481 1.00 0.74 O ATOM 0 H ASP A 53 -1.685 21.608 6.796 1.00 0.40 H new ATOM 0 HA ASP A 53 -1.936 23.041 4.387 1.00 0.41 H new ATOM 0 HB2 ASP A 53 -0.080 24.389 5.340 1.00 0.52 H new ATOM 0 HB3 ASP A 53 -1.307 24.056 6.546 1.00 0.52 H new ATOM 547 N ASP A 54 0.469 20.871 4.488 1.00 0.42 N ATOM 548 CA ASP A 54 1.516 20.197 3.730 1.00 0.55 C ATOM 549 C ASP A 54 0.920 19.374 2.592 1.00 0.45 C ATOM 550 O ASP A 54 1.637 18.660 1.891 1.00 0.52 O ATOM 551 CB ASP A 54 2.330 19.296 4.661 1.00 0.73 C ATOM 552 CG ASP A 54 1.459 18.587 5.678 1.00 0.74 C ATOM 553 OD1 ASP A 54 0.418 18.025 5.281 1.00 0.65 O ATOM 554 OD2 ASP A 54 1.801 18.603 6.881 1.00 1.10 O ATOM 0 H ASP A 54 0.223 20.403 5.360 1.00 0.42 H new ATOM 0 HA ASP A 54 2.171 20.953 3.296 1.00 0.55 H new ATOM 0 HB2 ASP A 54 2.869 18.557 4.068 1.00 0.73 H new ATOM 0 HB3 ASP A 54 3.078 19.895 5.181 1.00 0.73 H new ATOM 559 N SER A 55 -0.400 19.481 2.434 1.00 0.36 N ATOM 560 CA SER A 55 -1.140 18.783 1.386 1.00 0.40 C ATOM 561 C SER A 55 -1.201 17.272 1.622 1.00 0.37 C ATOM 562 O SER A 55 -1.597 16.518 0.732 1.00 0.52 O ATOM 563 CB SER A 55 -0.533 19.086 0.013 1.00 0.57 C ATOM 564 OG SER A 55 -0.658 20.464 -0.309 1.00 0.66 O ATOM 0 H SER A 55 -0.988 20.059 3.035 1.00 0.36 H new ATOM 0 HA SER A 55 -2.165 19.153 1.415 1.00 0.40 H new ATOM 0 HB2 SER A 55 0.519 18.802 0.007 1.00 0.57 H new ATOM 0 HB3 SER A 55 -1.030 18.485 -0.748 1.00 0.57 H new ATOM 0 HG SER A 55 -0.261 20.632 -1.189 1.00 0.66 H new ATOM 570 N LEU A 56 -0.833 16.831 2.816 1.00 0.28 N ATOM 571 CA LEU A 56 -0.868 15.411 3.136 1.00 0.31 C ATOM 572 C LEU A 56 -2.288 14.972 3.487 1.00 0.27 C ATOM 573 O LEU A 56 -2.943 15.567 4.344 1.00 0.30 O ATOM 574 CB LEU A 56 0.088 15.093 4.291 1.00 0.38 C ATOM 575 CG LEU A 56 1.567 15.388 4.014 1.00 0.40 C ATOM 576 CD1 LEU A 56 2.431 14.934 5.177 1.00 0.49 C ATOM 577 CD2 LEU A 56 2.022 14.720 2.726 1.00 0.48 C ATOM 0 H LEU A 56 -0.509 17.431 3.575 1.00 0.28 H new ATOM 0 HA LEU A 56 -0.543 14.857 2.255 1.00 0.31 H new ATOM 0 HB2 LEU A 56 -0.222 15.664 5.166 1.00 0.38 H new ATOM 0 HB3 LEU A 56 -0.014 14.038 4.546 1.00 0.38 H new ATOM 0 HG LEU A 56 1.679 16.466 3.899 1.00 0.40 H new ATOM 0 HD11 LEU A 56 3.477 15.152 4.960 1.00 0.49 H new ATOM 0 HD12 LEU A 56 2.130 15.462 6.082 1.00 0.49 H new ATOM 0 HD13 LEU A 56 2.308 13.861 5.325 1.00 0.49 H new ATOM 0 HD21 LEU A 56 3.074 14.944 2.552 1.00 0.48 H new ATOM 0 HD22 LEU A 56 1.890 13.641 2.809 1.00 0.48 H new ATOM 0 HD23 LEU A 56 1.428 15.095 1.892 1.00 0.48 H new ATOM 589 N ILE A 57 -2.760 13.937 2.806 1.00 0.27 N ATOM 590 CA ILE A 57 -4.096 13.409 3.038 1.00 0.26 C ATOM 591 C ILE A 57 -4.118 12.557 4.302 1.00 0.24 C ATOM 592 O ILE A 57 -3.417 11.549 4.394 1.00 0.29 O ATOM 593 CB ILE A 57 -4.578 12.562 1.840 1.00 0.30 C ATOM 594 CG1 ILE A 57 -4.559 13.387 0.548 1.00 0.45 C ATOM 595 CG2 ILE A 57 -5.971 12.006 2.099 1.00 0.35 C ATOM 596 CD1 ILE A 57 -5.520 14.560 0.552 1.00 0.57 C ATOM 0 H ILE A 57 -2.234 13.444 2.085 1.00 0.27 H new ATOM 0 HA ILE A 57 -4.770 14.257 3.159 1.00 0.26 H new ATOM 0 HB ILE A 57 -3.892 11.724 1.720 1.00 0.30 H new ATOM 0 HG12 ILE A 57 -3.548 13.759 0.381 1.00 0.45 H new ATOM 0 HG13 ILE A 57 -4.801 12.735 -0.291 1.00 0.45 H new ATOM 0 HG21 ILE A 57 -6.291 11.413 1.242 1.00 0.35 H new ATOM 0 HG22 ILE A 57 -5.952 11.377 2.989 1.00 0.35 H new ATOM 0 HG23 ILE A 57 -6.669 12.829 2.251 1.00 0.35 H new ATOM 0 HD11 ILE A 57 -5.447 15.093 -0.396 1.00 0.57 H new ATOM 0 HD12 ILE A 57 -6.538 14.196 0.686 1.00 0.57 H new ATOM 0 HD13 ILE A 57 -5.266 15.236 1.369 1.00 0.57 H new ATOM 608 N HIS A 58 -4.918 12.968 5.274 1.00 0.25 N ATOM 609 CA HIS A 58 -5.020 12.252 6.533 1.00 0.27 C ATOM 610 C HIS A 58 -6.306 11.443 6.614 1.00 0.27 C ATOM 611 O HIS A 58 -7.405 12.000 6.666 1.00 0.33 O ATOM 612 CB HIS A 58 -4.958 13.219 7.717 1.00 0.32 C ATOM 613 CG HIS A 58 -3.568 13.592 8.127 1.00 0.39 C ATOM 614 ND1 HIS A 58 -2.879 12.942 9.131 1.00 0.51 N ATOM 615 CD2 HIS A 58 -2.737 14.557 7.667 1.00 0.48 C ATOM 616 CE1 HIS A 58 -1.687 13.492 9.270 1.00 0.61 C ATOM 617 NE2 HIS A 58 -1.576 14.475 8.394 1.00 0.59 N ATOM 0 H HIS A 58 -5.508 13.798 5.213 1.00 0.25 H new ATOM 0 HA HIS A 58 -4.173 11.568 6.579 1.00 0.27 H new ATOM 0 HB2 HIS A 58 -5.506 14.126 7.461 1.00 0.32 H new ATOM 0 HB3 HIS A 58 -5.468 12.768 8.568 1.00 0.32 H new ATOM 0 HD1 HIS A 58 -3.235 12.159 9.680 1.00 0.51 H new ATOM 0 HD2 HIS A 58 -2.949 15.260 6.875 1.00 0.48 H new ATOM 0 HE1 HIS A 58 -0.931 13.190 9.979 1.00 0.61 H new ATOM 626 N PHE A 59 -6.151 10.133 6.600 1.00 0.27 N ATOM 627 CA PHE A 59 -7.268 9.214 6.720 1.00 0.28 C ATOM 628 C PHE A 59 -7.290 8.727 8.156 1.00 0.31 C ATOM 629 O PHE A 59 -6.460 7.902 8.549 1.00 0.36 O ATOM 630 CB PHE A 59 -7.096 8.038 5.749 1.00 0.31 C ATOM 631 CG PHE A 59 -8.283 7.114 5.659 1.00 0.45 C ATOM 632 CD1 PHE A 59 -8.401 6.028 6.512 1.00 0.63 C ATOM 633 CD2 PHE A 59 -9.270 7.327 4.710 1.00 0.69 C ATOM 634 CE1 PHE A 59 -9.482 5.173 6.422 1.00 0.84 C ATOM 635 CE2 PHE A 59 -10.355 6.475 4.616 1.00 0.92 C ATOM 636 CZ PHE A 59 -10.460 5.397 5.472 1.00 0.94 C ATOM 0 H PHE A 59 -5.245 9.674 6.505 1.00 0.27 H new ATOM 0 HA PHE A 59 -8.208 9.706 6.469 1.00 0.28 H new ATOM 0 HB2 PHE A 59 -6.885 8.433 4.755 1.00 0.31 H new ATOM 0 HB3 PHE A 59 -6.224 7.458 6.053 1.00 0.31 H new ATOM 0 HD1 PHE A 59 -7.639 5.848 7.256 1.00 0.63 H new ATOM 0 HD2 PHE A 59 -9.191 8.168 4.036 1.00 0.69 H new ATOM 0 HE1 PHE A 59 -9.563 4.331 7.093 1.00 0.84 H new ATOM 0 HE2 PHE A 59 -11.119 6.653 3.874 1.00 0.92 H new ATOM 0 HZ PHE A 59 -11.306 4.729 5.399 1.00 0.94 H new ATOM 646 N CYS A 60 -8.203 9.254 8.951 1.00 0.33 N ATOM 647 CA CYS A 60 -8.259 8.883 10.352 1.00 0.38 C ATOM 648 C CYS A 60 -9.638 8.402 10.782 1.00 0.38 C ATOM 649 O CYS A 60 -10.662 8.800 10.223 1.00 0.40 O ATOM 650 CB CYS A 60 -7.846 10.077 11.216 1.00 0.43 C ATOM 651 SG CYS A 60 -6.711 11.233 10.410 1.00 0.46 S ATOM 0 H CYS A 60 -8.907 9.931 8.656 1.00 0.33 H new ATOM 0 HA CYS A 60 -7.569 8.051 10.490 1.00 0.38 H new ATOM 0 HB2 CYS A 60 -8.743 10.619 11.516 1.00 0.43 H new ATOM 0 HB3 CYS A 60 -7.378 9.705 12.127 1.00 0.43 H new ATOM 0 HG CYS A 60 -5.485 10.910 10.698 1.00 0.46 H new ATOM 657 N TRP A 61 -9.636 7.537 11.786 1.00 0.39 N ATOM 658 CA TRP A 61 -10.856 6.998 12.357 1.00 0.39 C ATOM 659 C TRP A 61 -11.045 7.621 13.732 1.00 0.42 C ATOM 660 O TRP A 61 -10.228 7.413 14.637 1.00 0.45 O ATOM 661 CB TRP A 61 -10.778 5.468 12.470 1.00 0.40 C ATOM 662 CG TRP A 61 -12.033 4.824 12.995 1.00 0.41 C ATOM 663 CD1 TRP A 61 -13.116 4.426 12.266 1.00 0.43 C ATOM 664 CD2 TRP A 61 -12.331 4.501 14.364 1.00 0.43 C ATOM 665 NE1 TRP A 61 -14.068 3.874 13.090 1.00 0.45 N ATOM 666 CE2 TRP A 61 -13.609 3.910 14.384 1.00 0.45 C ATOM 667 CE3 TRP A 61 -11.642 4.653 15.572 1.00 0.46 C ATOM 668 CZ2 TRP A 61 -14.210 3.469 15.563 1.00 0.49 C ATOM 669 CZ3 TRP A 61 -12.243 4.218 16.740 1.00 0.51 C ATOM 670 CH2 TRP A 61 -13.514 3.632 16.728 1.00 0.52 C ATOM 0 H TRP A 61 -8.784 7.190 12.227 1.00 0.39 H new ATOM 0 HA TRP A 61 -11.703 7.235 11.713 1.00 0.39 H new ATOM 0 HB2 TRP A 61 -10.554 5.053 11.487 1.00 0.40 H new ATOM 0 HB3 TRP A 61 -9.947 5.205 13.124 1.00 0.40 H new ATOM 0 HD1 TRP A 61 -13.211 4.530 11.195 1.00 0.43 H new ATOM 0 HE1 TRP A 61 -14.968 3.499 12.790 1.00 0.45 H new ATOM 0 HE3 TRP A 61 -10.660 5.101 15.593 1.00 0.46 H new ATOM 0 HZ2 TRP A 61 -15.190 3.015 15.556 1.00 0.49 H new ATOM 0 HZ3 TRP A 61 -11.721 4.333 17.679 1.00 0.51 H new ATOM 0 HH2 TRP A 61 -13.954 3.302 17.658 1.00 0.52 H new ATOM 681 N LYS A 62 -12.097 8.404 13.883 1.00 0.46 N ATOM 682 CA LYS A 62 -12.364 9.068 15.146 1.00 0.50 C ATOM 683 C LYS A 62 -13.499 8.386 15.895 1.00 0.51 C ATOM 684 O LYS A 62 -14.587 8.197 15.351 1.00 0.51 O ATOM 685 CB LYS A 62 -12.703 10.541 14.900 1.00 0.57 C ATOM 686 CG LYS A 62 -12.701 11.392 16.161 1.00 0.63 C ATOM 687 CD LYS A 62 -13.087 12.834 15.864 1.00 0.75 C ATOM 688 CE LYS A 62 -13.144 13.660 17.137 1.00 0.93 C ATOM 689 NZ LYS A 62 -13.634 15.042 16.892 1.00 1.04 N ATOM 0 H LYS A 62 -12.779 8.596 13.149 1.00 0.46 H new ATOM 0 HA LYS A 62 -11.467 9.004 15.762 1.00 0.50 H new ATOM 0 HB2 LYS A 62 -11.985 10.956 14.192 1.00 0.57 H new ATOM 0 HB3 LYS A 62 -13.685 10.605 14.432 1.00 0.57 H new ATOM 0 HG2 LYS A 62 -13.397 10.970 16.886 1.00 0.63 H new ATOM 0 HG3 LYS A 62 -11.711 11.366 16.617 1.00 0.63 H new ATOM 0 HD2 LYS A 62 -12.365 13.272 15.175 1.00 0.75 H new ATOM 0 HD3 LYS A 62 -14.057 12.859 15.367 1.00 0.75 H new ATOM 0 HE2 LYS A 62 -13.797 13.168 17.858 1.00 0.93 H new ATOM 0 HE3 LYS A 62 -12.151 13.703 17.584 1.00 0.93 H new ATOM 0 HZ1 LYS A 62 -13.656 15.567 17.790 1.00 1.04 H new ATOM 0 HZ2 LYS A 62 -12.997 15.523 16.225 1.00 1.04 H new ATOM 0 HZ3 LYS A 62 -14.592 15.004 16.490 1.00 1.04 H new ATOM 703 N ASP A 63 -13.234 8.006 17.138 1.00 0.53 N ATOM 704 CA ASP A 63 -14.243 7.370 17.971 1.00 0.55 C ATOM 705 C ASP A 63 -15.358 8.372 18.248 1.00 0.57 C ATOM 706 O ASP A 63 -15.091 9.526 18.569 1.00 0.62 O ATOM 707 CB ASP A 63 -13.619 6.879 19.285 1.00 0.61 C ATOM 708 CG ASP A 63 -14.653 6.495 20.325 1.00 0.65 C ATOM 709 OD1 ASP A 63 -15.664 5.858 19.971 1.00 1.09 O ATOM 710 OD2 ASP A 63 -14.472 6.842 21.511 1.00 0.92 O ATOM 0 H ASP A 63 -12.328 8.128 17.591 1.00 0.53 H new ATOM 0 HA ASP A 63 -14.655 6.505 17.452 1.00 0.55 H new ATOM 0 HB2 ASP A 63 -12.982 6.019 19.079 1.00 0.61 H new ATOM 0 HB3 ASP A 63 -12.977 7.661 19.690 1.00 0.61 H new ATOM 715 N ARG A 64 -16.598 7.939 18.104 1.00 0.58 N ATOM 716 CA ARG A 64 -17.736 8.823 18.319 1.00 0.61 C ATOM 717 C ARG A 64 -18.095 8.920 19.793 1.00 0.66 C ATOM 718 O ARG A 64 -18.874 9.786 20.196 1.00 0.75 O ATOM 719 CB ARG A 64 -18.945 8.337 17.524 1.00 0.63 C ATOM 720 CG ARG A 64 -18.742 8.377 16.020 1.00 0.63 C ATOM 721 CD ARG A 64 -20.059 8.212 15.285 1.00 0.65 C ATOM 722 NE ARG A 64 -21.064 9.153 15.775 1.00 0.78 N ATOM 723 CZ ARG A 64 -22.361 8.876 15.898 1.00 0.91 C ATOM 724 NH1 ARG A 64 -22.831 7.678 15.569 1.00 0.99 N ATOM 725 NH2 ARG A 64 -23.184 9.796 16.381 1.00 1.14 N ATOM 0 H ARG A 64 -16.845 6.985 17.840 1.00 0.58 H new ATOM 0 HA ARG A 64 -17.451 9.816 17.972 1.00 0.61 H new ATOM 0 HB2 ARG A 64 -19.179 7.315 17.823 1.00 0.63 H new ATOM 0 HB3 ARG A 64 -19.809 8.950 17.782 1.00 0.63 H new ATOM 0 HG2 ARG A 64 -18.281 9.323 15.738 1.00 0.63 H new ATOM 0 HG3 ARG A 64 -18.054 7.586 15.722 1.00 0.63 H new ATOM 0 HD2 ARG A 64 -19.903 8.367 14.217 1.00 0.65 H new ATOM 0 HD3 ARG A 64 -20.422 7.192 15.410 1.00 0.65 H new ATOM 0 HE ARG A 64 -20.751 10.086 16.041 1.00 0.78 H new ATOM 0 HH11 ARG A 64 -22.197 6.960 15.218 1.00 0.99 H new ATOM 0 HH12 ARG A 64 -23.826 7.476 15.667 1.00 0.99 H new ATOM 0 HH21 ARG A 64 -22.823 10.710 16.656 1.00 1.14 H new ATOM 0 HH22 ARG A 64 -24.178 9.590 16.478 1.00 1.14 H new ATOM 739 N THR A 65 -17.523 8.042 20.592 1.00 0.68 N ATOM 740 CA THR A 65 -17.799 8.027 22.016 1.00 0.74 C ATOM 741 C THR A 65 -16.962 9.065 22.766 1.00 0.75 C ATOM 742 O THR A 65 -17.498 10.022 23.327 1.00 0.83 O ATOM 743 CB THR A 65 -17.534 6.636 22.610 1.00 0.76 C ATOM 744 OG1 THR A 65 -17.674 5.629 21.595 1.00 0.88 O ATOM 745 CG2 THR A 65 -18.497 6.349 23.748 1.00 0.93 C ATOM 0 H THR A 65 -16.864 7.329 20.280 1.00 0.68 H new ATOM 0 HA THR A 65 -18.853 8.278 22.137 1.00 0.74 H new ATOM 0 HB THR A 65 -16.515 6.618 22.997 1.00 0.76 H new ATOM 0 HG1 THR A 65 -16.801 5.451 21.188 1.00 0.88 H new ATOM 0 HG21 THR A 65 -18.293 5.359 24.156 1.00 0.93 H new ATOM 0 HG22 THR A 65 -18.369 7.097 24.530 1.00 0.93 H new ATOM 0 HG23 THR A 65 -19.521 6.385 23.376 1.00 0.93 H new ATOM 753 N SER A 66 -15.652 8.876 22.773 1.00 0.71 N ATOM 754 CA SER A 66 -14.755 9.791 23.469 1.00 0.75 C ATOM 755 C SER A 66 -14.291 10.915 22.548 1.00 0.73 C ATOM 756 O SER A 66 -13.913 11.996 23.007 1.00 0.79 O ATOM 757 CB SER A 66 -13.542 9.028 24.007 1.00 0.75 C ATOM 758 OG SER A 66 -12.864 8.342 22.963 1.00 0.75 O ATOM 0 H SER A 66 -15.185 8.099 22.306 1.00 0.71 H new ATOM 0 HA SER A 66 -15.303 10.234 24.300 1.00 0.75 H new ATOM 0 HB2 SER A 66 -12.858 9.723 24.494 1.00 0.75 H new ATOM 0 HB3 SER A 66 -13.864 8.315 24.765 1.00 0.75 H new ATOM 0 HG SER A 66 -13.390 7.562 22.689 1.00 0.75 H new ATOM 764 N GLY A 67 -14.331 10.657 21.253 1.00 0.67 N ATOM 765 CA GLY A 67 -13.893 11.641 20.289 1.00 0.67 C ATOM 766 C GLY A 67 -12.397 11.584 20.087 1.00 0.65 C ATOM 767 O GLY A 67 -11.772 12.568 19.688 1.00 0.70 O ATOM 0 H GLY A 67 -14.660 9.780 20.850 1.00 0.67 H new ATOM 0 HA2 GLY A 67 -14.397 11.471 19.338 1.00 0.67 H new ATOM 0 HA3 GLY A 67 -14.179 12.637 20.627 1.00 0.67 H new ATOM 771 N ASN A 68 -11.825 10.421 20.361 1.00 0.63 N ATOM 772 CA ASN A 68 -10.392 10.213 20.214 1.00 0.63 C ATOM 773 C ASN A 68 -10.073 9.618 18.853 1.00 0.58 C ATOM 774 O ASN A 68 -10.852 8.830 18.311 1.00 0.58 O ATOM 775 CB ASN A 68 -9.873 9.281 21.311 1.00 0.68 C ATOM 776 CG ASN A 68 -9.343 10.030 22.520 1.00 0.85 C ATOM 777 OD1 ASN A 68 -8.770 11.112 22.396 1.00 1.01 O ATOM 778 ND2 ASN A 68 -9.526 9.454 23.698 1.00 1.01 N ATOM 0 H ASN A 68 -12.336 9.601 20.689 1.00 0.63 H new ATOM 0 HA ASN A 68 -9.900 11.182 20.302 1.00 0.63 H new ATOM 0 HB2 ASN A 68 -10.677 8.616 21.626 1.00 0.68 H new ATOM 0 HB3 ASN A 68 -9.081 8.653 20.903 1.00 0.68 H new ATOM 0 HD21 ASN A 68 -9.187 9.908 24.546 1.00 1.01 H new ATOM 0 HD22 ASN A 68 -10.006 8.556 23.758 1.00 1.01 H new ATOM 785 N VAL A 69 -8.933 9.999 18.301 1.00 0.56 N ATOM 786 CA VAL A 69 -8.501 9.490 17.007 1.00 0.53 C ATOM 787 C VAL A 69 -7.559 8.308 17.208 1.00 0.51 C ATOM 788 O VAL A 69 -6.401 8.487 17.583 1.00 0.59 O ATOM 789 CB VAL A 69 -7.786 10.579 16.179 1.00 0.57 C ATOM 790 CG1 VAL A 69 -7.429 10.054 14.797 1.00 0.60 C ATOM 791 CG2 VAL A 69 -8.655 11.822 16.068 1.00 0.63 C ATOM 0 H VAL A 69 -8.287 10.662 18.730 1.00 0.56 H new ATOM 0 HA VAL A 69 -9.389 9.173 16.459 1.00 0.53 H new ATOM 0 HB VAL A 69 -6.863 10.848 16.693 1.00 0.57 H new ATOM 0 HG11 VAL A 69 -6.926 10.837 14.229 1.00 0.60 H new ATOM 0 HG12 VAL A 69 -6.767 9.194 14.894 1.00 0.60 H new ATOM 0 HG13 VAL A 69 -8.338 9.755 14.275 1.00 0.60 H new ATOM 0 HG21 VAL A 69 -8.134 12.579 15.481 1.00 0.63 H new ATOM 0 HG22 VAL A 69 -9.595 11.566 15.579 1.00 0.63 H new ATOM 0 HG23 VAL A 69 -8.859 12.213 17.065 1.00 0.63 H new ATOM 801 N GLU A 70 -8.064 7.103 16.974 1.00 0.49 N ATOM 802 CA GLU A 70 -7.265 5.893 17.147 1.00 0.51 C ATOM 803 C GLU A 70 -6.396 5.629 15.930 1.00 0.50 C ATOM 804 O GLU A 70 -5.203 5.349 16.053 1.00 0.62 O ATOM 805 CB GLU A 70 -8.164 4.680 17.399 1.00 0.55 C ATOM 806 CG GLU A 70 -8.947 4.755 18.698 1.00 0.81 C ATOM 807 CD GLU A 70 -9.455 3.403 19.154 1.00 0.68 C ATOM 808 OE1 GLU A 70 -9.524 2.465 18.324 1.00 0.69 O ATOM 809 OE2 GLU A 70 -9.787 3.262 20.346 1.00 0.71 O ATOM 0 H GLU A 70 -9.021 6.936 16.664 1.00 0.49 H new ATOM 0 HA GLU A 70 -6.621 6.051 18.012 1.00 0.51 H new ATOM 0 HB2 GLU A 70 -8.864 4.580 16.569 1.00 0.55 H new ATOM 0 HB3 GLU A 70 -7.549 3.780 17.408 1.00 0.55 H new ATOM 0 HG2 GLU A 70 -8.313 5.181 19.475 1.00 0.81 H new ATOM 0 HG3 GLU A 70 -9.792 5.431 18.569 1.00 0.81 H new ATOM 816 N ASP A 71 -6.997 5.713 14.756 1.00 0.47 N ATOM 817 CA ASP A 71 -6.280 5.470 13.513 1.00 0.46 C ATOM 818 C ASP A 71 -6.040 6.773 12.777 1.00 0.43 C ATOM 819 O ASP A 71 -6.927 7.621 12.712 1.00 0.46 O ATOM 820 CB ASP A 71 -7.071 4.515 12.616 1.00 0.51 C ATOM 821 CG ASP A 71 -7.397 3.202 13.296 1.00 0.57 C ATOM 822 OD1 ASP A 71 -8.401 3.143 14.037 1.00 0.61 O ATOM 823 OD2 ASP A 71 -6.645 2.223 13.104 1.00 0.73 O ATOM 0 H ASP A 71 -7.982 5.948 14.636 1.00 0.47 H new ATOM 0 HA ASP A 71 -5.320 5.016 13.758 1.00 0.46 H new ATOM 0 HB2 ASP A 71 -7.998 4.998 12.307 1.00 0.51 H new ATOM 0 HB3 ASP A 71 -6.498 4.317 11.710 1.00 0.51 H new ATOM 828 N ASP A 72 -4.837 6.932 12.250 1.00 0.43 N ATOM 829 CA ASP A 72 -4.459 8.126 11.496 1.00 0.42 C ATOM 830 C ASP A 72 -3.344 7.765 10.524 1.00 0.42 C ATOM 831 O ASP A 72 -2.225 7.455 10.939 1.00 0.52 O ATOM 832 CB ASP A 72 -4.005 9.249 12.435 1.00 0.48 C ATOM 833 CG ASP A 72 -3.217 10.338 11.722 1.00 0.59 C ATOM 834 OD1 ASP A 72 -3.737 10.928 10.750 1.00 0.99 O ATOM 835 OD2 ASP A 72 -2.073 10.620 12.150 1.00 1.05 O ATOM 0 H ASP A 72 -4.092 6.240 12.330 1.00 0.43 H new ATOM 0 HA ASP A 72 -5.326 8.488 10.944 1.00 0.42 H new ATOM 0 HB2 ASP A 72 -4.879 9.693 12.911 1.00 0.48 H new ATOM 0 HB3 ASP A 72 -3.391 8.825 13.229 1.00 0.48 H new ATOM 840 N LEU A 73 -3.653 7.776 9.237 1.00 0.36 N ATOM 841 CA LEU A 73 -2.670 7.424 8.223 1.00 0.38 C ATOM 842 C LEU A 73 -2.634 8.446 7.093 1.00 0.34 C ATOM 843 O LEU A 73 -3.647 9.065 6.767 1.00 0.42 O ATOM 844 CB LEU A 73 -2.981 6.040 7.650 1.00 0.44 C ATOM 845 CG LEU A 73 -2.922 4.883 8.654 1.00 0.66 C ATOM 846 CD1 LEU A 73 -3.416 3.598 8.012 1.00 0.93 C ATOM 847 CD2 LEU A 73 -1.506 4.700 9.183 1.00 0.92 C ATOM 0 H LEU A 73 -4.572 8.024 8.870 1.00 0.36 H new ATOM 0 HA LEU A 73 -1.691 7.415 8.703 1.00 0.38 H new ATOM 0 HB2 LEU A 73 -3.977 6.064 7.208 1.00 0.44 H new ATOM 0 HB3 LEU A 73 -2.279 5.834 6.842 1.00 0.44 H new ATOM 0 HG LEU A 73 -3.573 5.126 9.494 1.00 0.66 H new ATOM 0 HD11 LEU A 73 -3.368 2.787 8.738 1.00 0.93 H new ATOM 0 HD12 LEU A 73 -4.447 3.729 7.682 1.00 0.93 H new ATOM 0 HD13 LEU A 73 -2.789 3.355 7.154 1.00 0.93 H new ATOM 0 HD21 LEU A 73 -1.487 3.874 9.894 1.00 0.92 H new ATOM 0 HD22 LEU A 73 -0.833 4.481 8.354 1.00 0.92 H new ATOM 0 HD23 LEU A 73 -1.183 5.614 9.681 1.00 0.92 H new ATOM 859 N ILE A 74 -1.458 8.617 6.511 1.00 0.29 N ATOM 860 CA ILE A 74 -1.267 9.540 5.402 1.00 0.28 C ATOM 861 C ILE A 74 -1.443 8.790 4.081 1.00 0.30 C ATOM 862 O ILE A 74 -0.674 7.882 3.766 1.00 0.51 O ATOM 863 CB ILE A 74 0.129 10.197 5.461 1.00 0.30 C ATOM 864 CG1 ILE A 74 0.407 10.711 6.877 1.00 0.43 C ATOM 865 CG2 ILE A 74 0.224 11.330 4.456 1.00 0.33 C ATOM 866 CD1 ILE A 74 1.846 11.117 7.110 1.00 0.59 C ATOM 0 H ILE A 74 -0.611 8.122 6.792 1.00 0.29 H new ATOM 0 HA ILE A 74 -2.012 10.332 5.474 1.00 0.28 H new ATOM 0 HB ILE A 74 0.880 9.450 5.206 1.00 0.30 H new ATOM 0 HG12 ILE A 74 -0.238 11.567 7.076 1.00 0.43 H new ATOM 0 HG13 ILE A 74 0.138 9.935 7.594 1.00 0.43 H new ATOM 0 HG21 ILE A 74 1.214 11.783 4.510 1.00 0.33 H new ATOM 0 HG22 ILE A 74 0.058 10.940 3.452 1.00 0.33 H new ATOM 0 HG23 ILE A 74 -0.532 12.082 4.683 1.00 0.33 H new ATOM 0 HD11 ILE A 74 1.963 11.470 8.135 1.00 0.59 H new ATOM 0 HD12 ILE A 74 2.497 10.259 6.945 1.00 0.59 H new ATOM 0 HD13 ILE A 74 2.115 11.915 6.419 1.00 0.59 H new ATOM 878 N ILE A 75 -2.456 9.171 3.315 1.00 0.24 N ATOM 879 CA ILE A 75 -2.767 8.501 2.055 1.00 0.23 C ATOM 880 C ILE A 75 -2.169 9.213 0.840 1.00 0.24 C ATOM 881 O ILE A 75 -2.019 10.439 0.831 1.00 0.26 O ATOM 882 CB ILE A 75 -4.296 8.385 1.875 1.00 0.27 C ATOM 883 CG1 ILE A 75 -4.939 7.796 3.134 1.00 0.28 C ATOM 884 CG2 ILE A 75 -4.636 7.539 0.659 1.00 0.32 C ATOM 885 CD1 ILE A 75 -4.428 6.416 3.503 1.00 0.31 C ATOM 0 H ILE A 75 -3.081 9.944 3.544 1.00 0.24 H new ATOM 0 HA ILE A 75 -2.316 7.510 2.111 1.00 0.23 H new ATOM 0 HB ILE A 75 -4.697 9.386 1.715 1.00 0.27 H new ATOM 0 HG12 ILE A 75 -4.762 8.473 3.970 1.00 0.28 H new ATOM 0 HG13 ILE A 75 -6.018 7.745 2.988 1.00 0.28 H new ATOM 0 HG21 ILE A 75 -5.719 7.472 0.554 1.00 0.32 H new ATOM 0 HG22 ILE A 75 -4.212 7.998 -0.234 1.00 0.32 H new ATOM 0 HG23 ILE A 75 -4.221 6.539 0.784 1.00 0.32 H new ATOM 0 HD11 ILE A 75 -4.933 6.070 4.405 1.00 0.31 H new ATOM 0 HD12 ILE A 75 -4.629 5.723 2.686 1.00 0.31 H new ATOM 0 HD13 ILE A 75 -3.354 6.462 3.683 1.00 0.31 H new ATOM 897 N PHE A 76 -1.822 8.420 -0.175 1.00 0.27 N ATOM 898 CA PHE A 76 -1.255 8.926 -1.418 1.00 0.31 C ATOM 899 C PHE A 76 -1.799 8.129 -2.603 1.00 0.32 C ATOM 900 O PHE A 76 -2.199 6.972 -2.445 1.00 0.35 O ATOM 901 CB PHE A 76 0.274 8.822 -1.401 1.00 0.34 C ATOM 902 CG PHE A 76 0.933 9.696 -0.380 1.00 0.39 C ATOM 903 CD1 PHE A 76 1.153 11.042 -0.630 1.00 0.50 C ATOM 904 CD2 PHE A 76 1.340 9.171 0.829 1.00 0.40 C ATOM 905 CE1 PHE A 76 1.771 11.841 0.312 1.00 0.58 C ATOM 906 CE2 PHE A 76 1.954 9.963 1.774 1.00 0.50 C ATOM 907 CZ PHE A 76 2.170 11.301 1.516 1.00 0.58 C ATOM 0 H PHE A 76 -1.928 7.406 -0.154 1.00 0.27 H new ATOM 0 HA PHE A 76 -1.537 9.974 -1.517 1.00 0.31 H new ATOM 0 HB2 PHE A 76 0.555 7.786 -1.213 1.00 0.34 H new ATOM 0 HB3 PHE A 76 0.656 9.082 -2.388 1.00 0.34 H new ATOM 0 HD1 PHE A 76 0.838 11.470 -1.570 1.00 0.50 H new ATOM 0 HD2 PHE A 76 1.175 8.124 1.038 1.00 0.40 H new ATOM 0 HE1 PHE A 76 1.941 12.887 0.106 1.00 0.58 H new ATOM 0 HE2 PHE A 76 2.266 9.537 2.716 1.00 0.50 H new ATOM 0 HZ PHE A 76 2.651 11.924 2.256 1.00 0.58 H new ATOM 917 N PRO A 77 -1.834 8.742 -3.801 1.00 0.36 N ATOM 918 CA PRO A 77 -2.321 8.086 -5.023 1.00 0.38 C ATOM 919 C PRO A 77 -1.450 6.906 -5.460 1.00 0.33 C ATOM 920 O PRO A 77 -0.391 6.650 -4.875 1.00 0.33 O ATOM 921 CB PRO A 77 -2.261 9.196 -6.080 1.00 0.45 C ATOM 922 CG PRO A 77 -2.147 10.472 -5.325 1.00 0.55 C ATOM 923 CD PRO A 77 -1.432 10.137 -4.052 1.00 0.44 C ATOM 0 HA PRO A 77 -3.315 7.664 -4.871 1.00 0.38 H new ATOM 0 HB2 PRO A 77 -1.408 9.057 -6.744 1.00 0.45 H new ATOM 0 HB3 PRO A 77 -3.155 9.190 -6.704 1.00 0.45 H new ATOM 0 HG2 PRO A 77 -1.595 11.216 -5.898 1.00 0.55 H new ATOM 0 HG3 PRO A 77 -3.131 10.893 -5.120 1.00 0.55 H new ATOM 0 HD2 PRO A 77 -0.351 10.232 -4.159 1.00 0.44 H new ATOM 0 HD3 PRO A 77 -1.731 10.796 -3.236 1.00 0.44 H new ATOM 931 N ASP A 78 -1.904 6.217 -6.518 1.00 0.40 N ATOM 932 CA ASP A 78 -1.222 5.042 -7.097 1.00 0.46 C ATOM 933 C ASP A 78 -0.898 4.000 -6.029 1.00 0.45 C ATOM 934 O ASP A 78 0.102 3.282 -6.131 1.00 0.60 O ATOM 935 CB ASP A 78 0.080 5.399 -7.877 1.00 0.53 C ATOM 936 CG ASP A 78 0.383 6.883 -7.985 1.00 0.98 C ATOM 937 OD1 ASP A 78 -0.338 7.594 -8.719 1.00 1.34 O ATOM 938 OD2 ASP A 78 1.366 7.341 -7.355 1.00 1.36 O ATOM 0 H ASP A 78 -2.767 6.461 -7.004 1.00 0.40 H new ATOM 0 HA ASP A 78 -1.931 4.627 -7.813 1.00 0.46 H new ATOM 0 HB2 ASP A 78 0.922 4.907 -7.391 1.00 0.53 H new ATOM 0 HB3 ASP A 78 0.007 4.985 -8.883 1.00 0.53 H new ATOM 943 N ASP A 79 -1.753 3.881 -5.018 1.00 0.53 N ATOM 944 CA ASP A 79 -1.497 2.928 -3.947 1.00 0.61 C ATOM 945 C ASP A 79 -2.768 2.459 -3.246 1.00 0.59 C ATOM 946 O ASP A 79 -3.273 1.375 -3.523 1.00 1.11 O ATOM 947 CB ASP A 79 -0.546 3.535 -2.919 1.00 0.80 C ATOM 948 CG ASP A 79 0.434 2.518 -2.392 1.00 1.12 C ATOM 949 OD1 ASP A 79 0.019 1.646 -1.605 1.00 1.74 O ATOM 950 OD2 ASP A 79 1.622 2.575 -2.791 1.00 1.44 O ATOM 0 H ASP A 79 -2.612 4.421 -4.919 1.00 0.53 H new ATOM 0 HA ASP A 79 -1.044 2.054 -4.414 1.00 0.61 H new ATOM 0 HB2 ASP A 79 -0.001 4.363 -3.373 1.00 0.80 H new ATOM 0 HB3 ASP A 79 -1.122 3.948 -2.091 1.00 0.80 H new ATOM 955 N CYS A 80 -3.278 3.283 -2.342 1.00 0.50 N ATOM 956 CA CYS A 80 -4.462 2.940 -1.559 1.00 0.46 C ATOM 957 C CYS A 80 -5.698 2.720 -2.424 1.00 0.43 C ATOM 958 O CYS A 80 -6.077 3.577 -3.225 1.00 0.60 O ATOM 959 CB CYS A 80 -4.718 4.033 -0.531 1.00 0.63 C ATOM 960 SG CYS A 80 -3.227 4.524 0.362 1.00 0.90 S ATOM 0 H CYS A 80 -2.888 4.201 -2.130 1.00 0.50 H new ATOM 0 HA CYS A 80 -4.265 1.993 -1.057 1.00 0.46 H new ATOM 0 HB2 CYS A 80 -5.138 4.905 -1.033 1.00 0.63 H new ATOM 0 HB3 CYS A 80 -5.465 3.685 0.183 1.00 0.63 H new ATOM 0 HG CYS A 80 -2.925 3.612 1.238 1.00 0.90 H new ATOM 966 N GLU A 81 -6.315 1.554 -2.254 1.00 0.34 N ATOM 967 CA GLU A 81 -7.512 1.191 -2.998 1.00 0.39 C ATOM 968 C GLU A 81 -8.618 0.738 -2.043 1.00 0.36 C ATOM 969 O GLU A 81 -8.484 -0.278 -1.358 1.00 0.45 O ATOM 970 CB GLU A 81 -7.186 0.070 -3.991 1.00 0.49 C ATOM 971 CG GLU A 81 -8.379 -0.421 -4.793 1.00 0.74 C ATOM 972 CD GLU A 81 -8.051 -1.655 -5.605 1.00 0.94 C ATOM 973 OE1 GLU A 81 -7.503 -1.512 -6.719 1.00 1.32 O ATOM 974 OE2 GLU A 81 -8.328 -2.778 -5.128 1.00 1.15 O ATOM 0 H GLU A 81 -5.999 0.839 -1.599 1.00 0.34 H new ATOM 0 HA GLU A 81 -7.863 2.065 -3.546 1.00 0.39 H new ATOM 0 HB2 GLU A 81 -6.420 0.423 -4.681 1.00 0.49 H new ATOM 0 HB3 GLU A 81 -6.759 -0.771 -3.444 1.00 0.49 H new ATOM 0 HG2 GLU A 81 -9.204 -0.642 -4.116 1.00 0.74 H new ATOM 0 HG3 GLU A 81 -8.718 0.372 -5.460 1.00 0.74 H new ATOM 981 N PHE A 82 -9.702 1.500 -2.000 1.00 0.34 N ATOM 982 CA PHE A 82 -10.834 1.189 -1.137 1.00 0.32 C ATOM 983 C PHE A 82 -11.924 0.476 -1.937 1.00 0.33 C ATOM 984 O PHE A 82 -12.287 0.917 -3.028 1.00 0.42 O ATOM 985 CB PHE A 82 -11.377 2.490 -0.530 1.00 0.35 C ATOM 986 CG PHE A 82 -12.297 2.301 0.646 1.00 0.34 C ATOM 987 CD1 PHE A 82 -11.895 1.570 1.750 1.00 0.43 C ATOM 988 CD2 PHE A 82 -13.561 2.868 0.648 1.00 0.44 C ATOM 989 CE1 PHE A 82 -12.738 1.408 2.834 1.00 0.48 C ATOM 990 CE2 PHE A 82 -14.408 2.706 1.727 1.00 0.47 C ATOM 991 CZ PHE A 82 -13.994 1.977 2.821 1.00 0.43 C ATOM 0 H PHE A 82 -9.822 2.345 -2.558 1.00 0.34 H new ATOM 0 HA PHE A 82 -10.511 0.526 -0.334 1.00 0.32 H new ATOM 0 HB2 PHE A 82 -10.535 3.109 -0.219 1.00 0.35 H new ATOM 0 HB3 PHE A 82 -11.909 3.042 -1.305 1.00 0.35 H new ATOM 0 HD1 PHE A 82 -10.913 1.121 1.765 1.00 0.43 H new ATOM 0 HD2 PHE A 82 -13.888 3.444 -0.205 1.00 0.44 H new ATOM 0 HE1 PHE A 82 -12.413 0.836 3.690 1.00 0.48 H new ATOM 0 HE2 PHE A 82 -15.393 3.150 1.713 1.00 0.47 H new ATOM 0 HZ PHE A 82 -14.653 1.852 3.667 1.00 0.43 H new ATOM 1001 N LYS A 83 -12.423 -0.639 -1.418 1.00 0.34 N ATOM 1002 CA LYS A 83 -13.470 -1.388 -2.104 1.00 0.38 C ATOM 1003 C LYS A 83 -14.297 -2.201 -1.115 1.00 0.37 C ATOM 1004 O LYS A 83 -13.927 -2.339 0.050 1.00 0.38 O ATOM 1005 CB LYS A 83 -12.876 -2.304 -3.180 1.00 0.46 C ATOM 1006 CG LYS A 83 -11.834 -3.283 -2.663 1.00 0.53 C ATOM 1007 CD LYS A 83 -11.404 -4.252 -3.755 1.00 0.69 C ATOM 1008 CE LYS A 83 -10.261 -5.147 -3.305 1.00 1.06 C ATOM 1009 NZ LYS A 83 -8.998 -4.386 -3.118 1.00 1.44 N ATOM 0 H LYS A 83 -12.123 -1.043 -0.531 1.00 0.34 H new ATOM 0 HA LYS A 83 -14.127 -0.667 -2.591 1.00 0.38 H new ATOM 0 HB2 LYS A 83 -13.684 -2.866 -3.649 1.00 0.46 H new ATOM 0 HB3 LYS A 83 -12.424 -1.687 -3.957 1.00 0.46 H new ATOM 0 HG2 LYS A 83 -10.966 -2.735 -2.296 1.00 0.53 H new ATOM 0 HG3 LYS A 83 -12.240 -3.839 -1.818 1.00 0.53 H new ATOM 0 HD2 LYS A 83 -12.254 -4.869 -4.047 1.00 0.69 H new ATOM 0 HD3 LYS A 83 -11.099 -3.691 -4.638 1.00 0.69 H new ATOM 0 HE2 LYS A 83 -10.531 -5.637 -2.369 1.00 1.06 H new ATOM 0 HE3 LYS A 83 -10.104 -5.934 -4.043 1.00 1.06 H new ATOM 0 HZ1 LYS A 83 -8.189 -5.036 -3.181 1.00 1.44 H new ATOM 0 HZ2 LYS A 83 -8.917 -3.660 -3.858 1.00 1.44 H new ATOM 0 HZ3 LYS A 83 -9.003 -3.929 -2.184 1.00 1.44 H new ATOM 1023 N ARG A 84 -15.414 -2.732 -1.589 1.00 0.42 N ATOM 1024 CA ARG A 84 -16.310 -3.525 -0.754 1.00 0.43 C ATOM 1025 C ARG A 84 -16.058 -5.018 -0.940 1.00 0.44 C ATOM 1026 O ARG A 84 -15.718 -5.467 -2.038 1.00 0.49 O ATOM 1027 CB ARG A 84 -17.766 -3.205 -1.108 1.00 0.47 C ATOM 1028 CG ARG A 84 -18.784 -3.830 -0.166 1.00 0.57 C ATOM 1029 CD ARG A 84 -20.181 -3.836 -0.769 1.00 0.61 C ATOM 1030 NE ARG A 84 -20.306 -4.819 -1.847 1.00 0.71 N ATOM 1031 CZ ARG A 84 -21.297 -5.708 -1.942 1.00 0.78 C ATOM 1032 NH1 ARG A 84 -22.262 -5.738 -1.032 1.00 0.88 N ATOM 1033 NH2 ARG A 84 -21.319 -6.569 -2.952 1.00 0.96 N ATOM 0 H ARG A 84 -15.725 -2.628 -2.555 1.00 0.42 H new ATOM 0 HA ARG A 84 -16.117 -3.270 0.288 1.00 0.43 H new ATOM 0 HB2 ARG A 84 -17.900 -2.123 -1.106 1.00 0.47 H new ATOM 0 HB3 ARG A 84 -17.966 -3.549 -2.123 1.00 0.47 H new ATOM 0 HG2 ARG A 84 -18.484 -4.852 0.067 1.00 0.57 H new ATOM 0 HG3 ARG A 84 -18.796 -3.279 0.774 1.00 0.57 H new ATOM 0 HD2 ARG A 84 -20.912 -4.056 0.009 1.00 0.61 H new ATOM 0 HD3 ARG A 84 -20.415 -2.843 -1.154 1.00 0.61 H new ATOM 0 HE ARG A 84 -19.589 -4.825 -2.573 1.00 0.71 H new ATOM 0 HH11 ARG A 84 -22.250 -5.079 -0.254 1.00 0.88 H new ATOM 0 HH12 ARG A 84 -23.016 -6.420 -1.111 1.00 0.88 H new ATOM 0 HH21 ARG A 84 -20.579 -6.551 -3.654 1.00 0.96 H new ATOM 0 HH22 ARG A 84 -22.076 -7.249 -3.026 1.00 0.96 H new ATOM 1047 N VAL A 85 -16.221 -5.781 0.136 1.00 0.45 N ATOM 1048 CA VAL A 85 -16.040 -7.223 0.093 1.00 0.49 C ATOM 1049 C VAL A 85 -17.328 -7.879 -0.409 1.00 0.55 C ATOM 1050 O VAL A 85 -18.359 -7.827 0.264 1.00 0.59 O ATOM 1051 CB VAL A 85 -15.682 -7.794 1.482 1.00 0.52 C ATOM 1052 CG1 VAL A 85 -15.493 -9.304 1.414 1.00 0.61 C ATOM 1053 CG2 VAL A 85 -14.430 -7.127 2.029 1.00 0.50 C ATOM 0 H VAL A 85 -16.480 -5.419 1.054 1.00 0.45 H new ATOM 0 HA VAL A 85 -15.214 -7.440 -0.584 1.00 0.49 H new ATOM 0 HB VAL A 85 -16.510 -7.583 2.158 1.00 0.52 H new ATOM 0 HG11 VAL A 85 -15.241 -9.684 2.404 1.00 0.61 H new ATOM 0 HG12 VAL A 85 -16.416 -9.771 1.070 1.00 0.61 H new ATOM 0 HG13 VAL A 85 -14.686 -9.539 0.719 1.00 0.61 H new ATOM 0 HG21 VAL A 85 -14.194 -7.543 3.008 1.00 0.50 H new ATOM 0 HG22 VAL A 85 -13.597 -7.305 1.349 1.00 0.50 H new ATOM 0 HG23 VAL A 85 -14.600 -6.054 2.122 1.00 0.50 H new ATOM 1063 N PRO A 86 -17.290 -8.494 -1.603 1.00 0.61 N ATOM 1064 CA PRO A 86 -18.468 -9.135 -2.196 1.00 0.69 C ATOM 1065 C PRO A 86 -18.872 -10.422 -1.483 1.00 0.68 C ATOM 1066 O PRO A 86 -20.054 -10.759 -1.414 1.00 0.77 O ATOM 1067 CB PRO A 86 -18.022 -9.434 -3.630 1.00 0.81 C ATOM 1068 CG PRO A 86 -16.540 -9.546 -3.561 1.00 0.80 C ATOM 1069 CD PRO A 86 -16.098 -8.608 -2.470 1.00 0.64 C ATOM 0 HA PRO A 86 -19.349 -8.496 -2.127 1.00 0.69 H new ATOM 0 HB2 PRO A 86 -18.470 -10.357 -3.998 1.00 0.81 H new ATOM 0 HB3 PRO A 86 -18.326 -8.639 -4.311 1.00 0.81 H new ATOM 0 HG2 PRO A 86 -16.237 -10.570 -3.341 1.00 0.80 H new ATOM 0 HG3 PRO A 86 -16.085 -9.277 -4.514 1.00 0.80 H new ATOM 0 HD2 PRO A 86 -15.242 -9.004 -1.924 1.00 0.64 H new ATOM 0 HD3 PRO A 86 -15.800 -7.639 -2.871 1.00 0.64 H new ATOM 1077 N GLN A 87 -17.891 -11.125 -0.935 1.00 0.67 N ATOM 1078 CA GLN A 87 -18.149 -12.382 -0.247 1.00 0.70 C ATOM 1079 C GLN A 87 -18.428 -12.155 1.236 1.00 0.70 C ATOM 1080 O GLN A 87 -17.936 -12.888 2.100 1.00 1.01 O ATOM 1081 CB GLN A 87 -16.966 -13.340 -0.425 1.00 0.78 C ATOM 1082 CG GLN A 87 -16.656 -13.676 -1.880 1.00 0.91 C ATOM 1083 CD GLN A 87 -17.902 -13.899 -2.715 1.00 1.00 C ATOM 1084 OE1 GLN A 87 -18.391 -12.985 -3.377 1.00 1.05 O ATOM 1085 NE2 GLN A 87 -18.435 -15.108 -2.685 1.00 1.21 N ATOM 0 H GLN A 87 -16.910 -10.847 -0.953 1.00 0.67 H new ATOM 0 HA GLN A 87 -19.037 -12.831 -0.691 1.00 0.70 H new ATOM 0 HB2 GLN A 87 -16.081 -12.897 0.032 1.00 0.78 H new ATOM 0 HB3 GLN A 87 -17.175 -14.264 0.114 1.00 0.78 H new ATOM 0 HG2 GLN A 87 -16.072 -12.866 -2.318 1.00 0.91 H new ATOM 0 HG3 GLN A 87 -16.036 -14.572 -1.916 1.00 0.91 H new ATOM 0 HE21 GLN A 87 -18.002 -15.842 -2.125 1.00 1.21 H new ATOM 0 HE22 GLN A 87 -19.279 -15.307 -3.222 1.00 1.21 H new ATOM 1094 N CYS A 88 -19.231 -11.145 1.517 1.00 0.73 N ATOM 1095 CA CYS A 88 -19.598 -10.807 2.877 1.00 0.71 C ATOM 1096 C CYS A 88 -21.109 -10.945 3.040 1.00 0.71 C ATOM 1097 O CYS A 88 -21.867 -10.384 2.249 1.00 0.74 O ATOM 1098 CB CYS A 88 -19.152 -9.376 3.199 1.00 0.73 C ATOM 1099 SG CYS A 88 -19.841 -8.709 4.734 1.00 1.44 S ATOM 0 H CYS A 88 -19.645 -10.538 0.810 1.00 0.73 H new ATOM 0 HA CYS A 88 -19.101 -11.486 3.570 1.00 0.71 H new ATOM 0 HB2 CYS A 88 -18.064 -9.353 3.262 1.00 0.73 H new ATOM 0 HB3 CYS A 88 -19.437 -8.724 2.373 1.00 0.73 H new ATOM 0 HG CYS A 88 -20.161 -7.461 4.560 1.00 1.44 H new ATOM 1105 N PRO A 89 -21.566 -11.714 4.046 1.00 0.75 N ATOM 1106 CA PRO A 89 -22.997 -11.921 4.300 1.00 0.79 C ATOM 1107 C PRO A 89 -23.753 -10.608 4.490 1.00 0.74 C ATOM 1108 O PRO A 89 -24.872 -10.450 4.005 1.00 0.79 O ATOM 1109 CB PRO A 89 -23.016 -12.747 5.591 1.00 0.88 C ATOM 1110 CG PRO A 89 -21.687 -13.413 5.639 1.00 0.92 C ATOM 1111 CD PRO A 89 -20.724 -12.453 5.002 1.00 0.81 C ATOM 0 HA PRO A 89 -23.491 -12.410 3.460 1.00 0.79 H new ATOM 0 HB2 PRO A 89 -23.172 -12.113 6.464 1.00 0.88 H new ATOM 0 HB3 PRO A 89 -23.824 -13.478 5.580 1.00 0.88 H new ATOM 0 HG2 PRO A 89 -21.397 -13.633 6.666 1.00 0.92 H new ATOM 0 HG3 PRO A 89 -21.706 -14.362 5.103 1.00 0.92 H new ATOM 0 HD2 PRO A 89 -20.272 -11.788 5.738 1.00 0.81 H new ATOM 0 HD3 PRO A 89 -19.908 -12.974 4.501 1.00 0.81 H new ATOM 1119 N SER A 90 -23.134 -9.663 5.193 1.00 0.71 N ATOM 1120 CA SER A 90 -23.752 -8.367 5.431 1.00 0.71 C ATOM 1121 C SER A 90 -23.707 -7.518 4.164 1.00 0.65 C ATOM 1122 O SER A 90 -24.646 -6.781 3.859 1.00 0.72 O ATOM 1123 CB SER A 90 -23.031 -7.657 6.575 1.00 0.75 C ATOM 1124 OG SER A 90 -22.116 -8.533 7.212 1.00 0.85 O ATOM 0 H SER A 90 -22.208 -9.772 5.606 1.00 0.71 H new ATOM 0 HA SER A 90 -24.796 -8.514 5.707 1.00 0.71 H new ATOM 0 HB2 SER A 90 -22.501 -6.785 6.192 1.00 0.75 H new ATOM 0 HB3 SER A 90 -23.759 -7.294 7.300 1.00 0.75 H new ATOM 0 HG SER A 90 -21.289 -8.580 6.688 1.00 0.85 H new ATOM 1130 N GLY A 91 -22.607 -7.636 3.426 1.00 0.60 N ATOM 1131 CA GLY A 91 -22.445 -6.893 2.193 1.00 0.60 C ATOM 1132 C GLY A 91 -22.146 -5.424 2.414 1.00 0.57 C ATOM 1133 O GLY A 91 -22.245 -4.623 1.489 1.00 0.64 O ATOM 0 H GLY A 91 -21.820 -8.239 3.665 1.00 0.60 H new ATOM 0 HA2 GLY A 91 -21.637 -7.338 1.612 1.00 0.60 H new ATOM 0 HA3 GLY A 91 -23.354 -6.986 1.598 1.00 0.60 H new ATOM 1137 N ARG A 92 -21.776 -5.063 3.636 1.00 0.52 N ATOM 1138 CA ARG A 92 -21.470 -3.672 3.949 1.00 0.51 C ATOM 1139 C ARG A 92 -20.063 -3.540 4.510 1.00 0.48 C ATOM 1140 O ARG A 92 -19.696 -2.505 5.069 1.00 0.48 O ATOM 1141 CB ARG A 92 -22.482 -3.101 4.941 1.00 0.54 C ATOM 1142 CG ARG A 92 -23.898 -3.039 4.395 1.00 0.58 C ATOM 1143 CD ARG A 92 -24.782 -2.151 5.247 1.00 0.61 C ATOM 1144 NE ARG A 92 -24.597 -0.735 4.945 1.00 0.59 N ATOM 1145 CZ ARG A 92 -25.017 0.253 5.733 1.00 0.59 C ATOM 1146 NH1 ARG A 92 -25.649 -0.022 6.868 1.00 0.62 N ATOM 1147 NH2 ARG A 92 -24.834 1.514 5.374 1.00 0.60 N ATOM 0 H ARG A 92 -21.681 -5.707 4.421 1.00 0.52 H new ATOM 0 HA ARG A 92 -21.531 -3.103 3.022 1.00 0.51 H new ATOM 0 HB2 ARG A 92 -22.476 -3.710 5.845 1.00 0.54 H new ATOM 0 HB3 ARG A 92 -22.169 -2.098 5.231 1.00 0.54 H new ATOM 0 HG2 ARG A 92 -23.879 -2.662 3.372 1.00 0.58 H new ATOM 0 HG3 ARG A 92 -24.319 -4.044 4.356 1.00 0.58 H new ATOM 0 HD2 ARG A 92 -25.826 -2.421 5.088 1.00 0.61 H new ATOM 0 HD3 ARG A 92 -24.564 -2.328 6.300 1.00 0.61 H new ATOM 0 HE ARG A 92 -24.118 -0.488 4.079 1.00 0.59 H new ATOM 0 HH11 ARG A 92 -25.814 -0.992 7.138 1.00 0.62 H new ATOM 0 HH12 ARG A 92 -25.970 0.736 7.470 1.00 0.62 H new ATOM 0 HH21 ARG A 92 -24.370 1.731 4.492 1.00 0.60 H new ATOM 0 HH22 ARG A 92 -25.157 2.269 5.980 1.00 0.60 H new ATOM 1161 N VAL A 93 -19.279 -4.601 4.369 1.00 0.47 N ATOM 1162 CA VAL A 93 -17.907 -4.593 4.848 1.00 0.45 C ATOM 1163 C VAL A 93 -16.980 -4.110 3.743 1.00 0.41 C ATOM 1164 O VAL A 93 -16.897 -4.717 2.671 1.00 0.43 O ATOM 1165 CB VAL A 93 -17.457 -5.986 5.342 1.00 0.48 C ATOM 1166 CG1 VAL A 93 -15.959 -6.012 5.626 1.00 0.47 C ATOM 1167 CG2 VAL A 93 -18.243 -6.384 6.584 1.00 0.56 C ATOM 0 H VAL A 93 -19.570 -5.474 3.928 1.00 0.47 H new ATOM 0 HA VAL A 93 -17.857 -3.912 5.698 1.00 0.45 H new ATOM 0 HB VAL A 93 -17.660 -6.708 4.551 1.00 0.48 H new ATOM 0 HG11 VAL A 93 -15.671 -7.005 5.972 1.00 0.47 H new ATOM 0 HG12 VAL A 93 -15.412 -5.773 4.714 1.00 0.47 H new ATOM 0 HG13 VAL A 93 -15.722 -5.277 6.395 1.00 0.47 H new ATOM 0 HG21 VAL A 93 -17.916 -7.367 6.922 1.00 0.56 H new ATOM 0 HG22 VAL A 93 -18.070 -5.653 7.374 1.00 0.56 H new ATOM 0 HG23 VAL A 93 -19.306 -6.417 6.347 1.00 0.56 H new ATOM 1177 N TYR A 94 -16.317 -2.999 3.998 1.00 0.39 N ATOM 1178 CA TYR A 94 -15.398 -2.413 3.042 1.00 0.37 C ATOM 1179 C TYR A 94 -13.967 -2.621 3.509 1.00 0.35 C ATOM 1180 O TYR A 94 -13.712 -2.760 4.704 1.00 0.37 O ATOM 1181 CB TYR A 94 -15.703 -0.923 2.865 1.00 0.38 C ATOM 1182 CG TYR A 94 -16.923 -0.653 2.009 1.00 0.41 C ATOM 1183 CD1 TYR A 94 -18.202 -0.932 2.477 1.00 0.44 C ATOM 1184 CD2 TYR A 94 -16.797 -0.126 0.730 1.00 0.42 C ATOM 1185 CE1 TYR A 94 -19.318 -0.697 1.695 1.00 0.47 C ATOM 1186 CE2 TYR A 94 -17.909 0.116 -0.057 1.00 0.46 C ATOM 1187 CZ TYR A 94 -19.166 -0.172 0.430 1.00 0.48 C ATOM 1188 OH TYR A 94 -20.273 0.055 -0.359 1.00 0.53 O ATOM 0 H TYR A 94 -16.400 -2.478 4.871 1.00 0.39 H new ATOM 0 HA TYR A 94 -15.521 -2.903 2.076 1.00 0.37 H new ATOM 0 HB2 TYR A 94 -15.850 -0.471 3.846 1.00 0.38 H new ATOM 0 HB3 TYR A 94 -14.838 -0.434 2.416 1.00 0.38 H new ATOM 0 HD1 TYR A 94 -18.326 -1.340 3.469 1.00 0.44 H new ATOM 0 HD2 TYR A 94 -15.814 0.099 0.343 1.00 0.42 H new ATOM 0 HE1 TYR A 94 -20.304 -0.924 2.074 1.00 0.47 H new ATOM 0 HE2 TYR A 94 -17.793 0.529 -1.048 1.00 0.46 H new ATOM 0 HH TYR A 94 -20.088 -0.241 -1.275 1.00 0.53 H new ATOM 1198 N VAL A 95 -13.038 -2.651 2.573 1.00 0.34 N ATOM 1199 CA VAL A 95 -11.644 -2.866 2.908 1.00 0.33 C ATOM 1200 C VAL A 95 -10.728 -1.886 2.182 1.00 0.31 C ATOM 1201 O VAL A 95 -10.842 -1.673 0.970 1.00 0.31 O ATOM 1202 CB VAL A 95 -11.211 -4.323 2.596 1.00 0.36 C ATOM 1203 CG1 VAL A 95 -11.501 -4.686 1.145 1.00 0.38 C ATOM 1204 CG2 VAL A 95 -9.735 -4.538 2.924 1.00 0.38 C ATOM 0 H VAL A 95 -13.223 -2.530 1.577 1.00 0.34 H new ATOM 0 HA VAL A 95 -11.547 -2.691 3.980 1.00 0.33 H new ATOM 0 HB VAL A 95 -11.799 -4.986 3.231 1.00 0.36 H new ATOM 0 HG11 VAL A 95 -11.187 -5.713 0.957 1.00 0.38 H new ATOM 0 HG12 VAL A 95 -12.570 -4.593 0.953 1.00 0.38 H new ATOM 0 HG13 VAL A 95 -10.954 -4.012 0.485 1.00 0.38 H new ATOM 0 HG21 VAL A 95 -9.458 -5.567 2.696 1.00 0.38 H new ATOM 0 HG22 VAL A 95 -9.127 -3.858 2.328 1.00 0.38 H new ATOM 0 HG23 VAL A 95 -9.565 -4.343 3.983 1.00 0.38 H new ATOM 1214 N LEU A 96 -9.843 -1.272 2.949 1.00 0.31 N ATOM 1215 CA LEU A 96 -8.869 -0.343 2.418 1.00 0.30 C ATOM 1216 C LEU A 96 -7.551 -1.082 2.254 1.00 0.30 C ATOM 1217 O LEU A 96 -6.828 -1.309 3.229 1.00 0.38 O ATOM 1218 CB LEU A 96 -8.703 0.860 3.352 1.00 0.34 C ATOM 1219 CG LEU A 96 -7.686 1.907 2.889 1.00 0.37 C ATOM 1220 CD1 LEU A 96 -8.145 2.570 1.600 1.00 0.43 C ATOM 1221 CD2 LEU A 96 -7.469 2.950 3.976 1.00 0.44 C ATOM 0 H LEU A 96 -9.782 -1.406 3.958 1.00 0.31 H new ATOM 0 HA LEU A 96 -9.205 0.038 1.453 1.00 0.30 H new ATOM 0 HB2 LEU A 96 -9.672 1.345 3.470 1.00 0.34 H new ATOM 0 HB3 LEU A 96 -8.406 0.498 4.336 1.00 0.34 H new ATOM 0 HG LEU A 96 -6.739 1.404 2.695 1.00 0.37 H new ATOM 0 HD11 LEU A 96 -7.408 3.310 1.289 1.00 0.43 H new ATOM 0 HD12 LEU A 96 -8.252 1.815 0.821 1.00 0.43 H new ATOM 0 HD13 LEU A 96 -9.104 3.060 1.765 1.00 0.43 H new ATOM 0 HD21 LEU A 96 -6.744 3.688 3.633 1.00 0.44 H new ATOM 0 HD22 LEU A 96 -8.414 3.446 4.198 1.00 0.44 H new ATOM 0 HD23 LEU A 96 -7.094 2.464 4.877 1.00 0.44 H new ATOM 1233 N LYS A 97 -7.257 -1.489 1.032 1.00 0.29 N ATOM 1234 CA LYS A 97 -6.043 -2.230 0.760 1.00 0.33 C ATOM 1235 C LYS A 97 -4.979 -1.339 0.151 1.00 0.26 C ATOM 1236 O LYS A 97 -5.227 -0.629 -0.825 1.00 0.32 O ATOM 1237 CB LYS A 97 -6.328 -3.399 -0.185 1.00 0.45 C ATOM 1238 CG LYS A 97 -5.120 -4.296 -0.418 1.00 0.51 C ATOM 1239 CD LYS A 97 -5.110 -4.863 -1.827 1.00 0.74 C ATOM 1240 CE LYS A 97 -3.924 -5.788 -2.048 1.00 0.80 C ATOM 1241 NZ LYS A 97 -2.631 -5.053 -2.062 1.00 0.89 N ATOM 0 H LYS A 97 -7.843 -1.318 0.215 1.00 0.29 H new ATOM 0 HA LYS A 97 -5.674 -2.614 1.711 1.00 0.33 H new ATOM 0 HB2 LYS A 97 -7.142 -3.997 0.224 1.00 0.45 H new ATOM 0 HB3 LYS A 97 -6.671 -3.007 -1.143 1.00 0.45 H new ATOM 0 HG2 LYS A 97 -4.206 -3.728 -0.247 1.00 0.51 H new ATOM 0 HG3 LYS A 97 -5.128 -5.113 0.304 1.00 0.51 H new ATOM 0 HD2 LYS A 97 -6.036 -5.408 -2.007 1.00 0.74 H new ATOM 0 HD3 LYS A 97 -5.075 -4.047 -2.548 1.00 0.74 H new ATOM 0 HE2 LYS A 97 -3.902 -6.542 -1.261 1.00 0.80 H new ATOM 0 HE3 LYS A 97 -4.049 -6.317 -2.993 1.00 0.80 H new ATOM 0 HZ1 LYS A 97 -1.938 -5.558 -1.473 1.00 0.89 H new ATOM 0 HZ2 LYS A 97 -2.277 -4.993 -3.038 1.00 0.89 H new ATOM 0 HZ3 LYS A 97 -2.773 -4.094 -1.685 1.00 0.89 H new ATOM 1255 N PHE A 98 -3.801 -1.367 0.745 1.00 0.29 N ATOM 1256 CA PHE A 98 -2.683 -0.599 0.242 1.00 0.30 C ATOM 1257 C PHE A 98 -1.968 -1.433 -0.811 1.00 0.33 C ATOM 1258 O PHE A 98 -2.088 -2.661 -0.816 1.00 0.45 O ATOM 1259 CB PHE A 98 -1.725 -0.221 1.378 1.00 0.39 C ATOM 1260 CG PHE A 98 -2.319 0.734 2.379 1.00 0.44 C ATOM 1261 CD1 PHE A 98 -3.260 0.304 3.304 1.00 0.61 C ATOM 1262 CD2 PHE A 98 -1.929 2.060 2.397 1.00 0.57 C ATOM 1263 CE1 PHE A 98 -3.798 1.182 4.225 1.00 0.76 C ATOM 1264 CE2 PHE A 98 -2.463 2.942 3.315 1.00 0.72 C ATOM 1265 CZ PHE A 98 -3.398 2.503 4.232 1.00 0.77 C ATOM 0 H PHE A 98 -3.595 -1.916 1.580 1.00 0.29 H new ATOM 0 HA PHE A 98 -3.042 0.330 -0.201 1.00 0.30 H new ATOM 0 HB2 PHE A 98 -1.413 -1.128 1.895 1.00 0.39 H new ATOM 0 HB3 PHE A 98 -0.828 0.226 0.951 1.00 0.39 H new ATOM 0 HD1 PHE A 98 -3.575 -0.729 3.304 1.00 0.61 H new ATOM 0 HD2 PHE A 98 -1.197 2.410 1.684 1.00 0.57 H new ATOM 0 HE1 PHE A 98 -4.531 0.835 4.939 1.00 0.76 H new ATOM 0 HE2 PHE A 98 -2.150 3.976 3.316 1.00 0.72 H new ATOM 0 HZ PHE A 98 -3.815 3.191 4.952 1.00 0.77 H new ATOM 1275 N LYS A 99 -1.233 -0.787 -1.694 1.00 0.40 N ATOM 1276 CA LYS A 99 -0.525 -1.502 -2.742 1.00 0.48 C ATOM 1277 C LYS A 99 0.973 -1.323 -2.568 1.00 0.54 C ATOM 1278 O LYS A 99 1.741 -1.294 -3.535 1.00 0.82 O ATOM 1279 CB LYS A 99 -0.999 -1.037 -4.123 1.00 0.54 C ATOM 1280 CG LYS A 99 -2.453 -1.403 -4.391 1.00 0.70 C ATOM 1281 CD LYS A 99 -2.925 -0.944 -5.759 1.00 0.73 C ATOM 1282 CE LYS A 99 -4.362 -1.377 -5.995 1.00 0.91 C ATOM 1283 NZ LYS A 99 -4.930 -0.832 -7.255 1.00 1.11 N ATOM 0 H LYS A 99 -1.109 0.225 -1.709 1.00 0.40 H new ATOM 0 HA LYS A 99 -0.746 -2.567 -2.666 1.00 0.48 H new ATOM 0 HB2 LYS A 99 -0.879 0.044 -4.201 1.00 0.54 H new ATOM 0 HB3 LYS A 99 -0.367 -1.484 -4.891 1.00 0.54 H new ATOM 0 HG2 LYS A 99 -2.573 -2.484 -4.313 1.00 0.70 H new ATOM 0 HG3 LYS A 99 -3.084 -0.956 -3.623 1.00 0.70 H new ATOM 0 HD2 LYS A 99 -2.848 0.141 -5.832 1.00 0.73 H new ATOM 0 HD3 LYS A 99 -2.281 -1.362 -6.532 1.00 0.73 H new ATOM 0 HE2 LYS A 99 -4.408 -2.466 -6.022 1.00 0.91 H new ATOM 0 HE3 LYS A 99 -4.977 -1.053 -5.155 1.00 0.91 H new ATOM 0 HZ1 LYS A 99 -5.936 -1.089 -7.322 1.00 1.11 H new ATOM 0 HZ2 LYS A 99 -4.836 0.204 -7.259 1.00 1.11 H new ATOM 0 HZ3 LYS A 99 -4.416 -1.229 -8.068 1.00 1.11 H new ATOM 1297 N ALA A 100 1.361 -1.185 -1.312 1.00 0.55 N ATOM 1298 CA ALA A 100 2.751 -1.035 -0.926 1.00 0.63 C ATOM 1299 C ALA A 100 2.964 -1.733 0.408 1.00 0.62 C ATOM 1300 O ALA A 100 3.152 -1.089 1.442 1.00 1.36 O ATOM 1301 CB ALA A 100 3.143 0.434 -0.839 1.00 0.89 C ATOM 0 H ALA A 100 0.713 -1.174 -0.525 1.00 0.55 H new ATOM 0 HA ALA A 100 3.387 -1.491 -1.684 1.00 0.63 H new ATOM 0 HB1 ALA A 100 4.190 0.514 -0.548 1.00 0.89 H new ATOM 0 HB2 ALA A 100 2.999 0.907 -1.810 1.00 0.89 H new ATOM 0 HB3 ALA A 100 2.520 0.933 -0.097 1.00 0.89 H new ATOM 1307 N GLY A 101 2.885 -3.055 0.386 1.00 0.78 N ATOM 1308 CA GLY A 101 3.059 -3.833 1.592 1.00 0.83 C ATOM 1309 C GLY A 101 1.964 -4.865 1.761 1.00 0.73 C ATOM 1310 O GLY A 101 1.537 -5.487 0.785 1.00 1.06 O ATOM 0 H GLY A 101 2.702 -3.605 -0.453 1.00 0.78 H new ATOM 0 HA2 GLY A 101 4.028 -4.332 1.565 1.00 0.83 H new ATOM 0 HA3 GLY A 101 3.067 -3.168 2.455 1.00 0.83 H new ATOM 1314 N SER A 102 1.491 -5.034 2.989 1.00 0.51 N ATOM 1315 CA SER A 102 0.447 -6.010 3.279 1.00 0.48 C ATOM 1316 C SER A 102 -0.604 -5.422 4.223 1.00 0.52 C ATOM 1317 O SER A 102 -1.278 -6.154 4.952 1.00 1.13 O ATOM 1318 CB SER A 102 1.071 -7.264 3.904 1.00 0.60 C ATOM 1319 OG SER A 102 2.461 -7.344 3.619 1.00 1.00 O ATOM 0 H SER A 102 1.814 -4.508 3.801 1.00 0.51 H new ATOM 0 HA SER A 102 -0.046 -6.277 2.345 1.00 0.48 H new ATOM 0 HB2 SER A 102 0.919 -7.250 4.983 1.00 0.60 H new ATOM 0 HB3 SER A 102 0.567 -8.152 3.523 1.00 0.60 H new ATOM 0 HG SER A 102 2.833 -8.152 4.031 1.00 1.00 H new ATOM 1325 N LYS A 103 -0.751 -4.101 4.203 1.00 0.42 N ATOM 1326 CA LYS A 103 -1.715 -3.433 5.071 1.00 0.42 C ATOM 1327 C LYS A 103 -3.125 -3.514 4.494 1.00 0.39 C ATOM 1328 O LYS A 103 -3.380 -3.071 3.369 1.00 0.44 O ATOM 1329 CB LYS A 103 -1.317 -1.972 5.292 1.00 0.52 C ATOM 1330 CG LYS A 103 -1.900 -1.362 6.555 1.00 0.60 C ATOM 1331 CD LYS A 103 -1.230 -0.042 6.891 1.00 0.79 C ATOM 1332 CE LYS A 103 -1.535 0.387 8.318 1.00 0.93 C ATOM 1333 NZ LYS A 103 -0.990 -0.564 9.324 1.00 1.17 N ATOM 0 H LYS A 103 -0.218 -3.475 3.599 1.00 0.42 H new ATOM 0 HA LYS A 103 -1.711 -3.948 6.032 1.00 0.42 H new ATOM 0 HB2 LYS A 103 -0.230 -1.904 5.335 1.00 0.52 H new ATOM 0 HB3 LYS A 103 -1.639 -1.383 4.433 1.00 0.52 H new ATOM 0 HG2 LYS A 103 -2.971 -1.206 6.425 1.00 0.60 H new ATOM 0 HG3 LYS A 103 -1.778 -2.056 7.386 1.00 0.60 H new ATOM 0 HD2 LYS A 103 -0.152 -0.136 6.760 1.00 0.79 H new ATOM 0 HD3 LYS A 103 -1.570 0.727 6.198 1.00 0.79 H new ATOM 0 HE2 LYS A 103 -1.116 1.378 8.494 1.00 0.93 H new ATOM 0 HE3 LYS A 103 -2.614 0.470 8.447 1.00 0.93 H new ATOM 0 HZ1 LYS A 103 -0.899 -0.084 10.242 1.00 1.17 H new ATOM 0 HZ2 LYS A 103 -1.634 -1.375 9.420 1.00 1.17 H new ATOM 0 HZ3 LYS A 103 -0.055 -0.899 9.014 1.00 1.17 H new ATOM 1347 N ARG A 104 -4.030 -4.105 5.268 1.00 0.37 N ATOM 1348 CA ARG A 104 -5.425 -4.255 4.871 1.00 0.38 C ATOM 1349 C ARG A 104 -6.336 -3.844 6.026 1.00 0.37 C ATOM 1350 O ARG A 104 -6.395 -4.528 7.045 1.00 0.51 O ATOM 1351 CB ARG A 104 -5.725 -5.706 4.480 1.00 0.47 C ATOM 1352 CG ARG A 104 -4.905 -6.223 3.311 1.00 0.63 C ATOM 1353 CD ARG A 104 -4.901 -7.744 3.269 1.00 0.86 C ATOM 1354 NE ARG A 104 -4.120 -8.262 2.147 1.00 1.11 N ATOM 1355 CZ ARG A 104 -2.928 -8.852 2.270 1.00 1.40 C ATOM 1356 NH1 ARG A 104 -2.371 -9.006 3.469 1.00 1.85 N ATOM 1357 NH2 ARG A 104 -2.287 -9.285 1.190 1.00 1.70 N ATOM 0 H ARG A 104 -3.817 -4.493 6.187 1.00 0.37 H new ATOM 0 HA ARG A 104 -5.608 -3.614 4.009 1.00 0.38 H new ATOM 0 HB2 ARG A 104 -5.548 -6.346 5.344 1.00 0.47 H new ATOM 0 HB3 ARG A 104 -6.783 -5.791 4.232 1.00 0.47 H new ATOM 0 HG2 ARG A 104 -5.311 -5.832 2.378 1.00 0.63 H new ATOM 0 HG3 ARG A 104 -3.882 -5.856 3.391 1.00 0.63 H new ATOM 0 HD2 ARG A 104 -4.493 -8.131 4.203 1.00 0.86 H new ATOM 0 HD3 ARG A 104 -5.926 -8.107 3.194 1.00 0.86 H new ATOM 0 HE ARG A 104 -4.511 -8.167 1.210 1.00 1.11 H new ATOM 0 HH11 ARG A 104 -2.855 -8.672 4.303 1.00 1.85 H new ATOM 0 HH12 ARG A 104 -1.460 -9.458 3.554 1.00 1.85 H new ATOM 0 HH21 ARG A 104 -2.705 -9.167 0.267 1.00 1.70 H new ATOM 0 HH22 ARG A 104 -1.377 -9.736 1.284 1.00 1.70 H new ATOM 1371 N LEU A 105 -7.040 -2.735 5.870 1.00 0.33 N ATOM 1372 CA LEU A 105 -7.931 -2.252 6.918 1.00 0.34 C ATOM 1373 C LEU A 105 -9.390 -2.486 6.547 1.00 0.33 C ATOM 1374 O LEU A 105 -9.846 -2.049 5.495 1.00 0.39 O ATOM 1375 CB LEU A 105 -7.689 -0.764 7.179 1.00 0.37 C ATOM 1376 CG LEU A 105 -6.343 -0.422 7.823 1.00 0.50 C ATOM 1377 CD1 LEU A 105 -6.188 1.085 7.961 1.00 0.70 C ATOM 1378 CD2 LEU A 105 -6.214 -1.102 9.179 1.00 0.82 C ATOM 0 H LEU A 105 -7.014 -2.153 5.033 1.00 0.33 H new ATOM 0 HA LEU A 105 -7.715 -2.812 7.828 1.00 0.34 H new ATOM 0 HB2 LEU A 105 -7.766 -0.229 6.233 1.00 0.37 H new ATOM 0 HB3 LEU A 105 -8.486 -0.391 7.822 1.00 0.37 H new ATOM 0 HG LEU A 105 -5.546 -0.791 7.178 1.00 0.50 H new ATOM 0 HD11 LEU A 105 -5.226 1.311 8.421 1.00 0.70 H new ATOM 0 HD12 LEU A 105 -6.237 1.548 6.975 1.00 0.70 H new ATOM 0 HD13 LEU A 105 -6.990 1.478 8.586 1.00 0.70 H new ATOM 0 HD21 LEU A 105 -5.251 -0.848 9.623 1.00 0.82 H new ATOM 0 HD22 LEU A 105 -7.016 -0.763 9.834 1.00 0.82 H new ATOM 0 HD23 LEU A 105 -6.282 -2.182 9.052 1.00 0.82 H new ATOM 1390 N PHE A 106 -10.118 -3.172 7.415 1.00 0.34 N ATOM 1391 CA PHE A 106 -11.529 -3.467 7.173 1.00 0.34 C ATOM 1392 C PHE A 106 -12.426 -2.511 7.957 1.00 0.35 C ATOM 1393 O PHE A 106 -12.126 -2.162 9.100 1.00 0.37 O ATOM 1394 CB PHE A 106 -11.847 -4.914 7.564 1.00 0.38 C ATOM 1395 CG PHE A 106 -11.150 -5.945 6.721 1.00 0.40 C ATOM 1396 CD1 PHE A 106 -9.859 -6.353 7.020 1.00 0.46 C ATOM 1397 CD2 PHE A 106 -11.790 -6.510 5.631 1.00 0.44 C ATOM 1398 CE1 PHE A 106 -9.220 -7.304 6.247 1.00 0.52 C ATOM 1399 CE2 PHE A 106 -11.157 -7.463 4.855 1.00 0.50 C ATOM 1400 CZ PHE A 106 -9.871 -7.861 5.165 1.00 0.52 C ATOM 0 H PHE A 106 -9.757 -3.537 8.296 1.00 0.34 H new ATOM 0 HA PHE A 106 -11.723 -3.334 6.109 1.00 0.34 H new ATOM 0 HB2 PHE A 106 -11.571 -5.066 8.607 1.00 0.38 H new ATOM 0 HB3 PHE A 106 -12.923 -5.070 7.493 1.00 0.38 H new ATOM 0 HD1 PHE A 106 -9.346 -5.922 7.867 1.00 0.46 H new ATOM 0 HD2 PHE A 106 -12.795 -6.203 5.384 1.00 0.44 H new ATOM 0 HE1 PHE A 106 -8.213 -7.611 6.489 1.00 0.52 H new ATOM 0 HE2 PHE A 106 -11.667 -7.896 4.007 1.00 0.50 H new ATOM 0 HZ PHE A 106 -9.376 -8.607 4.561 1.00 0.52 H new ATOM 1410 N PHE A 107 -13.514 -2.081 7.333 1.00 0.35 N ATOM 1411 CA PHE A 107 -14.461 -1.168 7.963 1.00 0.37 C ATOM 1412 C PHE A 107 -15.892 -1.544 7.582 1.00 0.39 C ATOM 1413 O PHE A 107 -16.164 -1.863 6.428 1.00 0.48 O ATOM 1414 CB PHE A 107 -14.192 0.277 7.524 1.00 0.36 C ATOM 1415 CG PHE A 107 -12.911 0.864 8.048 1.00 0.35 C ATOM 1416 CD1 PHE A 107 -12.855 1.407 9.322 1.00 0.41 C ATOM 1417 CD2 PHE A 107 -11.768 0.884 7.262 1.00 0.38 C ATOM 1418 CE1 PHE A 107 -11.683 1.958 9.804 1.00 0.46 C ATOM 1419 CE2 PHE A 107 -10.594 1.431 7.740 1.00 0.43 C ATOM 1420 CZ PHE A 107 -10.550 1.969 9.011 1.00 0.46 C ATOM 0 H PHE A 107 -13.765 -2.352 6.382 1.00 0.35 H new ATOM 0 HA PHE A 107 -14.336 -1.246 9.043 1.00 0.37 H new ATOM 0 HB2 PHE A 107 -14.174 0.314 6.435 1.00 0.36 H new ATOM 0 HB3 PHE A 107 -15.023 0.902 7.851 1.00 0.36 H new ATOM 0 HD1 PHE A 107 -13.737 1.399 9.945 1.00 0.41 H new ATOM 0 HD2 PHE A 107 -11.797 0.467 6.266 1.00 0.38 H new ATOM 0 HE1 PHE A 107 -11.652 2.379 10.798 1.00 0.46 H new ATOM 0 HE2 PHE A 107 -9.710 1.438 7.120 1.00 0.43 H new ATOM 0 HZ PHE A 107 -9.632 2.398 9.385 1.00 0.46 H new ATOM 1430 N TRP A 108 -16.802 -1.512 8.545 1.00 0.41 N ATOM 1431 CA TRP A 108 -18.196 -1.827 8.262 1.00 0.43 C ATOM 1432 C TRP A 108 -19.043 -0.567 8.391 1.00 0.45 C ATOM 1433 O TRP A 108 -18.996 0.126 9.411 1.00 0.45 O ATOM 1434 CB TRP A 108 -18.729 -2.965 9.153 1.00 0.45 C ATOM 1435 CG TRP A 108 -18.579 -2.756 10.635 1.00 0.48 C ATOM 1436 CD1 TRP A 108 -17.441 -2.903 11.377 1.00 0.51 C ATOM 1437 CD2 TRP A 108 -19.616 -2.396 11.559 1.00 0.55 C ATOM 1438 NE1 TRP A 108 -17.706 -2.651 12.701 1.00 0.58 N ATOM 1439 CE2 TRP A 108 -19.034 -2.338 12.838 1.00 0.60 C ATOM 1440 CE3 TRP A 108 -20.984 -2.118 11.428 1.00 0.61 C ATOM 1441 CZ2 TRP A 108 -19.767 -2.003 13.976 1.00 0.70 C ATOM 1442 CZ3 TRP A 108 -21.708 -1.789 12.558 1.00 0.70 C ATOM 1443 CH2 TRP A 108 -21.100 -1.739 13.817 1.00 0.74 C ATOM 0 H TRP A 108 -16.605 -1.274 9.517 1.00 0.41 H new ATOM 0 HA TRP A 108 -18.262 -2.191 7.237 1.00 0.43 H new ATOM 0 HB2 TRP A 108 -19.786 -3.112 8.930 1.00 0.45 H new ATOM 0 HB3 TRP A 108 -18.215 -3.887 8.880 1.00 0.45 H new ATOM 0 HD1 TRP A 108 -16.475 -3.177 10.980 1.00 0.51 H new ATOM 0 HE1 TRP A 108 -17.025 -2.690 13.459 1.00 0.58 H new ATOM 0 HE3 TRP A 108 -21.463 -2.160 10.461 1.00 0.61 H new ATOM 0 HZ2 TRP A 108 -19.299 -1.954 14.948 1.00 0.70 H new ATOM 0 HZ3 TRP A 108 -22.761 -1.567 12.468 1.00 0.70 H new ATOM 0 HH2 TRP A 108 -21.696 -1.487 14.682 1.00 0.74 H new ATOM 1454 N MET A 109 -19.791 -0.264 7.336 1.00 0.46 N ATOM 1455 CA MET A 109 -20.641 0.926 7.290 1.00 0.48 C ATOM 1456 C MET A 109 -21.648 0.959 8.435 1.00 0.50 C ATOM 1457 O MET A 109 -22.373 -0.009 8.667 1.00 0.51 O ATOM 1458 CB MET A 109 -21.388 0.991 5.956 1.00 0.50 C ATOM 1459 CG MET A 109 -20.488 1.222 4.755 1.00 0.50 C ATOM 1460 SD MET A 109 -19.754 2.872 4.739 1.00 0.58 S ATOM 1461 CE MET A 109 -18.768 2.786 3.245 1.00 0.60 C ATOM 0 H MET A 109 -19.827 -0.832 6.490 1.00 0.46 H new ATOM 0 HA MET A 109 -19.986 1.791 7.393 1.00 0.48 H new ATOM 0 HB2 MET A 109 -21.936 0.060 5.813 1.00 0.50 H new ATOM 0 HB3 MET A 109 -22.126 1.792 6.003 1.00 0.50 H new ATOM 0 HG2 MET A 109 -19.694 0.476 4.753 1.00 0.50 H new ATOM 0 HG3 MET A 109 -21.064 1.077 3.841 1.00 0.50 H new ATOM 0 HE1 MET A 109 -18.250 3.734 3.096 1.00 0.60 H new ATOM 0 HE2 MET A 109 -18.036 1.983 3.338 1.00 0.60 H new ATOM 0 HE3 MET A 109 -19.417 2.589 2.392 1.00 0.60 H new ATOM 1471 N GLN A 110 -21.687 2.081 9.145 1.00 0.51 N ATOM 1472 CA GLN A 110 -22.614 2.255 10.256 1.00 0.53 C ATOM 1473 C GLN A 110 -23.738 3.213 9.861 1.00 0.56 C ATOM 1474 O GLN A 110 -24.578 3.579 10.682 1.00 0.61 O ATOM 1475 CB GLN A 110 -21.888 2.775 11.501 1.00 0.53 C ATOM 1476 CG GLN A 110 -20.929 1.765 12.115 1.00 0.51 C ATOM 1477 CD GLN A 110 -20.264 2.276 13.380 1.00 0.52 C ATOM 1478 OE1 GLN A 110 -20.089 3.480 13.568 1.00 0.55 O ATOM 1479 NE2 GLN A 110 -19.880 1.357 14.256 1.00 0.53 N ATOM 0 H GLN A 110 -21.085 2.886 8.970 1.00 0.51 H new ATOM 0 HA GLN A 110 -23.044 1.283 10.495 1.00 0.53 H new ATOM 0 HB2 GLN A 110 -21.334 3.676 11.238 1.00 0.53 H new ATOM 0 HB3 GLN A 110 -22.627 3.062 12.249 1.00 0.53 H new ATOM 0 HG2 GLN A 110 -21.472 0.847 12.341 1.00 0.51 H new ATOM 0 HG3 GLN A 110 -20.161 1.510 11.385 1.00 0.51 H new ATOM 0 HE21 GLN A 110 -20.043 0.369 14.063 1.00 0.53 H new ATOM 0 HE22 GLN A 110 -19.421 1.639 15.123 1.00 0.53 H new ATOM 1488 N GLU A 111 -23.738 3.619 8.593 1.00 0.57 N ATOM 1489 CA GLU A 111 -24.763 4.517 8.072 1.00 0.60 C ATOM 1490 C GLU A 111 -26.098 3.780 7.996 1.00 0.63 C ATOM 1491 O GLU A 111 -26.130 2.587 7.694 1.00 0.64 O ATOM 1492 CB GLU A 111 -24.366 5.040 6.688 1.00 0.61 C ATOM 1493 CG GLU A 111 -23.165 5.972 6.706 1.00 0.62 C ATOM 1494 CD GLU A 111 -23.427 7.252 7.478 1.00 0.65 C ATOM 1495 OE1 GLU A 111 -24.416 7.953 7.171 1.00 0.73 O ATOM 1496 OE2 GLU A 111 -22.645 7.570 8.394 1.00 0.67 O ATOM 0 H GLU A 111 -23.037 3.339 7.907 1.00 0.57 H new ATOM 0 HA GLU A 111 -24.861 5.370 8.744 1.00 0.60 H new ATOM 0 HB2 GLU A 111 -24.147 4.192 6.039 1.00 0.61 H new ATOM 0 HB3 GLU A 111 -25.215 5.565 6.251 1.00 0.61 H new ATOM 0 HG2 GLU A 111 -22.315 5.453 7.149 1.00 0.62 H new ATOM 0 HG3 GLU A 111 -22.888 6.221 5.682 1.00 0.62 H new ATOM 1503 N PRO A 112 -27.211 4.477 8.269 1.00 0.67 N ATOM 1504 CA PRO A 112 -28.552 3.876 8.263 1.00 0.71 C ATOM 1505 C PRO A 112 -28.948 3.261 6.921 1.00 0.71 C ATOM 1506 O PRO A 112 -29.375 2.105 6.864 1.00 0.79 O ATOM 1507 CB PRO A 112 -29.477 5.053 8.603 1.00 0.77 C ATOM 1508 CG PRO A 112 -28.675 6.278 8.340 1.00 0.82 C ATOM 1509 CD PRO A 112 -27.250 5.905 8.616 1.00 0.71 C ATOM 0 HA PRO A 112 -28.607 3.044 8.965 1.00 0.71 H new ATOM 0 HB2 PRO A 112 -30.378 5.034 7.989 1.00 0.77 H new ATOM 0 HB3 PRO A 112 -29.799 5.011 9.643 1.00 0.77 H new ATOM 0 HG2 PRO A 112 -28.799 6.612 7.310 1.00 0.82 H new ATOM 0 HG3 PRO A 112 -28.995 7.099 8.982 1.00 0.82 H new ATOM 0 HD2 PRO A 112 -26.555 6.487 8.010 1.00 0.71 H new ATOM 0 HD3 PRO A 112 -26.983 6.075 9.659 1.00 0.71 H new ATOM 1517 N LYS A 113 -28.792 4.019 5.842 1.00 0.72 N ATOM 1518 CA LYS A 113 -29.172 3.535 4.522 1.00 0.75 C ATOM 1519 C LYS A 113 -27.959 3.090 3.716 1.00 0.69 C ATOM 1520 O LYS A 113 -26.840 3.548 3.944 1.00 0.70 O ATOM 1521 CB LYS A 113 -29.930 4.619 3.752 1.00 0.86 C ATOM 1522 CG LYS A 113 -31.436 4.405 3.716 1.00 0.99 C ATOM 1523 CD LYS A 113 -32.153 5.237 4.761 1.00 1.05 C ATOM 1524 CE LYS A 113 -33.662 5.117 4.622 1.00 1.11 C ATOM 1525 NZ LYS A 113 -34.368 6.037 5.549 1.00 1.51 N ATOM 0 H LYS A 113 -28.408 4.964 5.855 1.00 0.72 H new ATOM 0 HA LYS A 113 -29.821 2.671 4.667 1.00 0.75 H new ATOM 0 HB2 LYS A 113 -29.720 5.588 4.205 1.00 0.86 H new ATOM 0 HB3 LYS A 113 -29.553 4.657 2.730 1.00 0.86 H new ATOM 0 HG2 LYS A 113 -31.815 4.661 2.726 1.00 0.99 H new ATOM 0 HG3 LYS A 113 -31.656 3.350 3.879 1.00 0.99 H new ATOM 0 HD2 LYS A 113 -31.850 4.913 5.757 1.00 1.05 H new ATOM 0 HD3 LYS A 113 -31.858 6.282 4.662 1.00 1.05 H new ATOM 0 HE2 LYS A 113 -33.953 5.339 3.595 1.00 1.11 H new ATOM 0 HE3 LYS A 113 -33.967 4.090 4.824 1.00 1.11 H new ATOM 0 HZ1 LYS A 113 -35.395 5.930 5.429 1.00 1.51 H new ATOM 0 HZ2 LYS A 113 -34.109 5.808 6.530 1.00 1.51 H new ATOM 0 HZ3 LYS A 113 -34.095 7.018 5.339 1.00 1.51 H new ATOM 1539 N THR A 114 -28.206 2.195 2.770 1.00 0.69 N ATOM 1540 CA THR A 114 -27.171 1.665 1.895 1.00 0.66 C ATOM 1541 C THR A 114 -27.148 2.432 0.576 1.00 0.67 C ATOM 1542 O THR A 114 -26.352 2.143 -0.321 1.00 0.69 O ATOM 1543 CB THR A 114 -27.435 0.180 1.597 1.00 0.70 C ATOM 1544 OG1 THR A 114 -28.834 -0.012 1.340 1.00 0.90 O ATOM 1545 CG2 THR A 114 -27.012 -0.699 2.762 1.00 0.86 C ATOM 0 H THR A 114 -29.135 1.815 2.587 1.00 0.69 H new ATOM 0 HA THR A 114 -26.211 1.775 2.400 1.00 0.66 H new ATOM 0 HB THR A 114 -26.848 -0.104 0.723 1.00 0.70 H new ATOM 0 HG1 THR A 114 -29.005 -0.958 1.148 1.00 0.90 H new ATOM 0 HG21 THR A 114 -27.211 -1.743 2.521 1.00 0.86 H new ATOM 0 HG22 THR A 114 -25.946 -0.567 2.949 1.00 0.86 H new ATOM 0 HG23 THR A 114 -27.575 -0.418 3.652 1.00 0.86 H new ATOM 1553 N ASP A 115 -28.039 3.410 0.478 1.00 0.69 N ATOM 1554 CA ASP A 115 -28.174 4.236 -0.716 1.00 0.72 C ATOM 1555 C ASP A 115 -26.869 4.930 -1.081 1.00 0.68 C ATOM 1556 O ASP A 115 -26.497 4.986 -2.249 1.00 0.72 O ATOM 1557 CB ASP A 115 -29.265 5.288 -0.512 1.00 0.79 C ATOM 1558 CG ASP A 115 -30.595 4.877 -1.105 1.00 0.94 C ATOM 1559 OD1 ASP A 115 -31.252 3.971 -0.545 1.00 1.14 O ATOM 1560 OD2 ASP A 115 -31.002 5.473 -2.125 1.00 1.19 O ATOM 0 H ASP A 115 -28.690 3.654 1.225 1.00 0.69 H new ATOM 0 HA ASP A 115 -28.446 3.572 -1.536 1.00 0.72 H new ATOM 0 HB2 ASP A 115 -29.390 5.473 0.555 1.00 0.79 H new ATOM 0 HB3 ASP A 115 -28.946 6.228 -0.963 1.00 0.79 H new ATOM 1565 N GLN A 116 -26.171 5.453 -0.087 1.00 0.66 N ATOM 1566 CA GLN A 116 -24.918 6.155 -0.335 1.00 0.64 C ATOM 1567 C GLN A 116 -23.713 5.334 0.109 1.00 0.60 C ATOM 1568 O GLN A 116 -22.635 5.880 0.325 1.00 0.59 O ATOM 1569 CB GLN A 116 -24.920 7.504 0.380 1.00 0.70 C ATOM 1570 CG GLN A 116 -25.900 8.505 -0.212 1.00 0.77 C ATOM 1571 CD GLN A 116 -25.420 9.085 -1.530 1.00 0.83 C ATOM 1572 OE1 GLN A 116 -25.659 8.519 -2.597 1.00 0.90 O ATOM 1573 NE2 GLN A 116 -24.744 10.223 -1.459 1.00 0.92 N ATOM 0 H GLN A 116 -26.446 5.407 0.894 1.00 0.66 H new ATOM 0 HA GLN A 116 -24.837 6.313 -1.410 1.00 0.64 H new ATOM 0 HB2 GLN A 116 -25.163 7.348 1.431 1.00 0.70 H new ATOM 0 HB3 GLN A 116 -23.916 7.926 0.344 1.00 0.70 H new ATOM 0 HG2 GLN A 116 -26.863 8.018 -0.363 1.00 0.77 H new ATOM 0 HG3 GLN A 116 -26.060 9.315 0.500 1.00 0.77 H new ATOM 0 HE21 GLN A 116 -24.569 10.657 -0.552 1.00 0.92 H new ATOM 0 HE22 GLN A 116 -24.399 10.665 -2.311 1.00 0.92 H new ATOM 1582 N ASP A 117 -23.891 4.024 0.226 1.00 0.59 N ATOM 1583 CA ASP A 117 -22.805 3.138 0.654 1.00 0.58 C ATOM 1584 C ASP A 117 -21.649 3.182 -0.338 1.00 0.55 C ATOM 1585 O ASP A 117 -20.520 3.538 0.015 1.00 0.53 O ATOM 1586 CB ASP A 117 -23.309 1.697 0.803 1.00 0.60 C ATOM 1587 CG ASP A 117 -23.464 1.279 2.254 1.00 0.62 C ATOM 1588 OD1 ASP A 117 -23.501 2.167 3.131 1.00 0.67 O ATOM 1589 OD2 ASP A 117 -23.565 0.059 2.526 1.00 0.64 O ATOM 0 H ASP A 117 -24.772 3.549 0.032 1.00 0.59 H new ATOM 0 HA ASP A 117 -22.449 3.488 1.623 1.00 0.58 H new ATOM 0 HB2 ASP A 117 -24.269 1.598 0.296 1.00 0.60 H new ATOM 0 HB3 ASP A 117 -22.614 1.020 0.306 1.00 0.60 H new ATOM 1594 N GLU A 118 -21.944 2.849 -1.587 1.00 0.56 N ATOM 1595 CA GLU A 118 -20.937 2.841 -2.638 1.00 0.56 C ATOM 1596 C GLU A 118 -20.472 4.258 -2.952 1.00 0.55 C ATOM 1597 O GLU A 118 -19.318 4.469 -3.324 1.00 0.55 O ATOM 1598 CB GLU A 118 -21.486 2.172 -3.896 1.00 0.59 C ATOM 1599 CG GLU A 118 -21.387 0.656 -3.865 1.00 0.62 C ATOM 1600 CD GLU A 118 -19.955 0.169 -3.857 1.00 0.64 C ATOM 1601 OE1 GLU A 118 -19.205 0.500 -4.800 1.00 0.85 O ATOM 1602 OE2 GLU A 118 -19.567 -0.549 -2.910 1.00 0.70 O ATOM 0 H GLU A 118 -22.877 2.580 -1.898 1.00 0.56 H new ATOM 0 HA GLU A 118 -20.079 2.269 -2.284 1.00 0.56 H new ATOM 0 HB2 GLU A 118 -22.530 2.458 -4.025 1.00 0.59 H new ATOM 0 HB3 GLU A 118 -20.944 2.547 -4.764 1.00 0.59 H new ATOM 0 HG2 GLU A 118 -21.900 0.280 -2.980 1.00 0.62 H new ATOM 0 HG3 GLU A 118 -21.903 0.244 -4.732 1.00 0.62 H new ATOM 1609 N GLU A 119 -21.373 5.225 -2.800 1.00 0.57 N ATOM 1610 CA GLU A 119 -21.047 6.624 -3.057 1.00 0.59 C ATOM 1611 C GLU A 119 -20.002 7.116 -2.060 1.00 0.56 C ATOM 1612 O GLU A 119 -19.084 7.853 -2.423 1.00 0.57 O ATOM 1613 CB GLU A 119 -22.298 7.500 -2.980 1.00 0.64 C ATOM 1614 CG GLU A 119 -22.090 8.910 -3.517 1.00 0.71 C ATOM 1615 CD GLU A 119 -21.940 8.942 -5.024 1.00 0.84 C ATOM 1616 OE1 GLU A 119 -20.806 8.769 -5.523 1.00 1.25 O ATOM 1617 OE2 GLU A 119 -22.955 9.142 -5.721 1.00 1.12 O ATOM 0 H GLU A 119 -22.335 5.065 -2.500 1.00 0.57 H new ATOM 0 HA GLU A 119 -20.638 6.697 -4.065 1.00 0.59 H new ATOM 0 HB2 GLU A 119 -23.101 7.022 -3.541 1.00 0.64 H new ATOM 0 HB3 GLU A 119 -22.626 7.560 -1.942 1.00 0.64 H new ATOM 0 HG2 GLU A 119 -22.935 9.534 -3.226 1.00 0.71 H new ATOM 0 HG3 GLU A 119 -21.201 9.343 -3.058 1.00 0.71 H new ATOM 1624 N HIS A 120 -20.137 6.693 -0.801 1.00 0.55 N ATOM 1625 CA HIS A 120 -19.184 7.078 0.238 1.00 0.54 C ATOM 1626 C HIS A 120 -17.813 6.512 -0.097 1.00 0.51 C ATOM 1627 O HIS A 120 -16.800 7.199 0.017 1.00 0.52 O ATOM 1628 CB HIS A 120 -19.642 6.593 1.622 1.00 0.55 C ATOM 1629 CG HIS A 120 -20.709 7.447 2.233 1.00 0.59 C ATOM 1630 ND1 HIS A 120 -21.675 6.954 3.084 1.00 0.64 N ATOM 1631 CD2 HIS A 120 -20.963 8.768 2.105 1.00 0.71 C ATOM 1632 CE1 HIS A 120 -22.474 7.937 3.454 1.00 0.68 C ATOM 1633 NE2 HIS A 120 -22.064 9.046 2.874 1.00 0.74 N ATOM 0 H HIS A 120 -20.892 6.088 -0.479 1.00 0.55 H new ATOM 0 HA HIS A 120 -19.128 8.166 0.273 1.00 0.54 H new ATOM 0 HB2 HIS A 120 -20.011 5.571 1.536 1.00 0.55 H new ATOM 0 HB3 HIS A 120 -18.782 6.566 2.291 1.00 0.55 H new ATOM 0 HD2 HIS A 120 -20.403 9.473 1.508 1.00 0.71 H new ATOM 0 HE1 HIS A 120 -23.320 7.847 4.119 1.00 0.68 H new ATOM 0 HE2 HIS A 120 -22.496 9.964 2.980 1.00 0.74 H new ATOM 1642 N CYS A 121 -17.804 5.263 -0.547 1.00 0.49 N ATOM 1643 CA CYS A 121 -16.573 4.580 -0.933 1.00 0.48 C ATOM 1644 C CYS A 121 -15.930 5.285 -2.127 1.00 0.48 C ATOM 1645 O CYS A 121 -14.705 5.402 -2.214 1.00 0.47 O ATOM 1646 CB CYS A 121 -16.883 3.122 -1.283 1.00 0.49 C ATOM 1647 SG CYS A 121 -15.507 2.223 -2.034 1.00 0.48 S ATOM 0 H CYS A 121 -18.645 4.696 -0.655 1.00 0.49 H new ATOM 0 HA CYS A 121 -15.873 4.606 -0.098 1.00 0.48 H new ATOM 0 HB2 CYS A 121 -17.189 2.601 -0.376 1.00 0.49 H new ATOM 0 HB3 CYS A 121 -17.732 3.098 -1.966 1.00 0.49 H new ATOM 0 HG CYS A 121 -14.512 2.176 -1.199 1.00 0.48 H new ATOM 1653 N ARG A 122 -16.780 5.767 -3.030 1.00 0.51 N ATOM 1654 CA ARG A 122 -16.340 6.470 -4.229 1.00 0.54 C ATOM 1655 C ARG A 122 -15.680 7.795 -3.858 1.00 0.53 C ATOM 1656 O ARG A 122 -14.601 8.111 -4.351 1.00 0.54 O ATOM 1657 CB ARG A 122 -17.535 6.712 -5.156 1.00 0.59 C ATOM 1658 CG ARG A 122 -17.152 7.146 -6.560 1.00 0.85 C ATOM 1659 CD ARG A 122 -18.362 7.175 -7.479 1.00 0.89 C ATOM 1660 NE ARG A 122 -18.925 5.841 -7.679 1.00 1.09 N ATOM 1661 CZ ARG A 122 -20.160 5.481 -7.319 1.00 0.97 C ATOM 1662 NH1 ARG A 122 -20.985 6.344 -6.737 1.00 1.44 N ATOM 1663 NH2 ARG A 122 -20.572 4.241 -7.535 1.00 1.52 N ATOM 0 H ARG A 122 -17.793 5.681 -2.950 1.00 0.51 H new ATOM 0 HA ARG A 122 -15.606 5.855 -4.749 1.00 0.54 H new ATOM 0 HB2 ARG A 122 -18.124 5.797 -5.218 1.00 0.59 H new ATOM 0 HB3 ARG A 122 -18.176 7.475 -4.714 1.00 0.59 H new ATOM 0 HG2 ARG A 122 -16.695 8.135 -6.525 1.00 0.85 H new ATOM 0 HG3 ARG A 122 -16.403 6.463 -6.962 1.00 0.85 H new ATOM 0 HD2 ARG A 122 -19.123 7.831 -7.057 1.00 0.89 H new ATOM 0 HD3 ARG A 122 -18.076 7.597 -8.443 1.00 0.89 H new ATOM 0 HE ARG A 122 -18.335 5.138 -8.123 1.00 1.09 H new ATOM 0 HH11 ARG A 122 -20.679 7.300 -6.558 1.00 1.44 H new ATOM 0 HH12 ARG A 122 -21.924 6.050 -6.469 1.00 1.44 H new ATOM 0 HH21 ARG A 122 -19.947 3.565 -7.975 1.00 1.52 H new ATOM 0 HH22 ARG A 122 -21.514 3.962 -7.262 1.00 1.52 H new ATOM 1677 N LYS A 123 -16.331 8.553 -2.974 1.00 0.53 N ATOM 1678 CA LYS A 123 -15.802 9.842 -2.523 1.00 0.53 C ATOM 1679 C LYS A 123 -14.427 9.654 -1.895 1.00 0.51 C ATOM 1680 O LYS A 123 -13.498 10.425 -2.145 1.00 0.53 O ATOM 1681 CB LYS A 123 -16.752 10.496 -1.514 1.00 0.56 C ATOM 1682 CG LYS A 123 -18.061 10.968 -2.127 1.00 0.63 C ATOM 1683 CD LYS A 123 -18.875 11.803 -1.152 1.00 0.73 C ATOM 1684 CE LYS A 123 -20.132 12.357 -1.805 1.00 0.85 C ATOM 1685 NZ LYS A 123 -20.853 13.309 -0.917 1.00 1.12 N ATOM 0 H LYS A 123 -17.225 8.297 -2.556 1.00 0.53 H new ATOM 0 HA LYS A 123 -15.713 10.497 -3.389 1.00 0.53 H new ATOM 0 HB2 LYS A 123 -16.969 9.784 -0.718 1.00 0.56 H new ATOM 0 HB3 LYS A 123 -16.249 11.346 -1.053 1.00 0.56 H new ATOM 0 HG2 LYS A 123 -17.852 11.555 -3.021 1.00 0.63 H new ATOM 0 HG3 LYS A 123 -18.647 10.104 -2.442 1.00 0.63 H new ATOM 0 HD2 LYS A 123 -19.150 11.194 -0.291 1.00 0.73 H new ATOM 0 HD3 LYS A 123 -18.265 12.626 -0.779 1.00 0.73 H new ATOM 0 HE2 LYS A 123 -19.865 12.860 -2.734 1.00 0.85 H new ATOM 0 HE3 LYS A 123 -20.796 11.534 -2.068 1.00 0.85 H new ATOM 0 HZ1 LYS A 123 -21.703 13.661 -1.403 1.00 1.12 H new ATOM 0 HZ2 LYS A 123 -21.131 12.823 -0.041 1.00 1.12 H new ATOM 0 HZ3 LYS A 123 -20.229 14.109 -0.686 1.00 1.12 H new ATOM 1699 N VAL A 124 -14.311 8.609 -1.089 1.00 0.48 N ATOM 1700 CA VAL A 124 -13.060 8.281 -0.429 1.00 0.46 C ATOM 1701 C VAL A 124 -11.972 7.985 -1.460 1.00 0.45 C ATOM 1702 O VAL A 124 -10.905 8.598 -1.447 1.00 0.45 O ATOM 1703 CB VAL A 124 -13.236 7.066 0.513 1.00 0.45 C ATOM 1704 CG1 VAL A 124 -11.897 6.537 1.010 1.00 0.43 C ATOM 1705 CG2 VAL A 124 -14.121 7.434 1.694 1.00 0.50 C ATOM 0 H VAL A 124 -15.077 7.970 -0.876 1.00 0.48 H new ATOM 0 HA VAL A 124 -12.759 9.143 0.167 1.00 0.46 H new ATOM 0 HB VAL A 124 -13.715 6.274 -0.063 1.00 0.45 H new ATOM 0 HG11 VAL A 124 -12.064 5.684 1.668 1.00 0.43 H new ATOM 0 HG12 VAL A 124 -11.291 6.225 0.160 1.00 0.43 H new ATOM 0 HG13 VAL A 124 -11.376 7.322 1.558 1.00 0.43 H new ATOM 0 HG21 VAL A 124 -14.235 6.569 2.347 1.00 0.50 H new ATOM 0 HG22 VAL A 124 -13.663 8.251 2.251 1.00 0.50 H new ATOM 0 HG23 VAL A 124 -15.100 7.746 1.331 1.00 0.50 H new ATOM 1715 N ASN A 125 -12.277 7.073 -2.380 1.00 0.46 N ATOM 1716 CA ASN A 125 -11.335 6.666 -3.424 1.00 0.48 C ATOM 1717 C ASN A 125 -10.851 7.844 -4.256 1.00 0.49 C ATOM 1718 O ASN A 125 -9.675 7.912 -4.628 1.00 0.52 O ATOM 1719 CB ASN A 125 -11.983 5.634 -4.347 1.00 0.50 C ATOM 1720 CG ASN A 125 -11.733 4.213 -3.896 1.00 0.51 C ATOM 1721 OD1 ASN A 125 -10.668 3.889 -3.370 1.00 0.69 O ATOM 1722 ND2 ASN A 125 -12.714 3.353 -4.101 1.00 0.77 N ATOM 0 H ASN A 125 -13.178 6.597 -2.425 1.00 0.46 H new ATOM 0 HA ASN A 125 -10.472 6.231 -2.920 1.00 0.48 H new ATOM 0 HB2 ASN A 125 -13.057 5.814 -4.390 1.00 0.50 H new ATOM 0 HB3 ASN A 125 -11.597 5.764 -5.358 1.00 0.50 H new ATOM 0 HD21 ASN A 125 -12.605 2.379 -3.820 1.00 0.77 H new ATOM 0 HD22 ASN A 125 -13.581 3.663 -4.540 1.00 0.77 H new ATOM 1729 N GLU A 126 -11.756 8.769 -4.548 1.00 0.52 N ATOM 1730 CA GLU A 126 -11.416 9.933 -5.349 1.00 0.56 C ATOM 1731 C GLU A 126 -10.435 10.848 -4.624 1.00 0.55 C ATOM 1732 O GLU A 126 -9.360 11.132 -5.139 1.00 0.64 O ATOM 1733 CB GLU A 126 -12.671 10.719 -5.727 1.00 0.64 C ATOM 1734 CG GLU A 126 -13.587 9.984 -6.692 1.00 0.76 C ATOM 1735 CD GLU A 126 -14.544 10.918 -7.402 1.00 0.91 C ATOM 1736 OE1 GLU A 126 -15.387 11.540 -6.726 1.00 1.30 O ATOM 1737 OE2 GLU A 126 -14.467 11.029 -8.644 1.00 1.27 O ATOM 0 H GLU A 126 -12.728 8.734 -4.242 1.00 0.52 H new ATOM 0 HA GLU A 126 -10.936 9.568 -6.257 1.00 0.56 H new ATOM 0 HB2 GLU A 126 -13.228 10.955 -4.820 1.00 0.64 H new ATOM 0 HB3 GLU A 126 -12.374 11.668 -6.174 1.00 0.64 H new ATOM 0 HG2 GLU A 126 -12.984 9.456 -7.430 1.00 0.76 H new ATOM 0 HG3 GLU A 126 -14.156 9.231 -6.147 1.00 0.76 H new ATOM 1744 N TYR A 127 -10.795 11.272 -3.419 1.00 0.53 N ATOM 1745 CA TYR A 127 -9.954 12.180 -2.636 1.00 0.55 C ATOM 1746 C TYR A 127 -8.624 11.548 -2.232 1.00 0.52 C ATOM 1747 O TYR A 127 -7.625 12.248 -2.071 1.00 0.60 O ATOM 1748 CB TYR A 127 -10.708 12.647 -1.390 1.00 0.59 C ATOM 1749 CG TYR A 127 -11.684 13.771 -1.666 1.00 0.62 C ATOM 1750 CD1 TYR A 127 -11.248 15.086 -1.739 1.00 0.73 C ATOM 1751 CD2 TYR A 127 -13.036 13.516 -1.858 1.00 0.69 C ATOM 1752 CE1 TYR A 127 -12.133 16.117 -1.994 1.00 0.79 C ATOM 1753 CE2 TYR A 127 -13.927 14.541 -2.114 1.00 0.74 C ATOM 1754 CZ TYR A 127 -13.469 15.838 -2.179 1.00 0.74 C ATOM 1755 OH TYR A 127 -14.351 16.862 -2.433 1.00 0.84 O ATOM 0 H TYR A 127 -11.665 11.003 -2.959 1.00 0.53 H new ATOM 0 HA TYR A 127 -9.724 13.033 -3.274 1.00 0.55 H new ATOM 0 HB2 TYR A 127 -11.249 11.802 -0.963 1.00 0.59 H new ATOM 0 HB3 TYR A 127 -9.988 12.976 -0.640 1.00 0.59 H new ATOM 0 HD1 TYR A 127 -10.201 15.308 -1.594 1.00 0.73 H new ATOM 0 HD2 TYR A 127 -13.397 12.499 -1.806 1.00 0.69 H new ATOM 0 HE1 TYR A 127 -11.779 17.136 -2.048 1.00 0.79 H new ATOM 0 HE2 TYR A 127 -14.975 14.326 -2.262 1.00 0.74 H new ATOM 0 HH TYR A 127 -15.254 16.497 -2.540 1.00 0.84 H new ATOM 1765 N LEU A 128 -8.610 10.231 -2.080 1.00 0.49 N ATOM 1766 CA LEU A 128 -7.395 9.529 -1.679 1.00 0.49 C ATOM 1767 C LEU A 128 -6.414 9.370 -2.838 1.00 0.53 C ATOM 1768 O LEU A 128 -5.222 9.170 -2.622 1.00 0.69 O ATOM 1769 CB LEU A 128 -7.732 8.145 -1.115 1.00 0.46 C ATOM 1770 CG LEU A 128 -8.500 8.130 0.214 1.00 0.42 C ATOM 1771 CD1 LEU A 128 -8.449 6.747 0.842 1.00 0.49 C ATOM 1772 CD2 LEU A 128 -7.950 9.168 1.181 1.00 0.44 C ATOM 0 H LEU A 128 -9.420 9.629 -2.227 1.00 0.49 H new ATOM 0 HA LEU A 128 -6.921 10.138 -0.909 1.00 0.49 H new ATOM 0 HB2 LEU A 128 -8.319 7.605 -1.858 1.00 0.46 H new ATOM 0 HB3 LEU A 128 -6.802 7.593 -0.981 1.00 0.46 H new ATOM 0 HG LEU A 128 -9.539 8.383 0.002 1.00 0.42 H new ATOM 0 HD11 LEU A 128 -8.998 6.754 1.783 1.00 0.49 H new ATOM 0 HD12 LEU A 128 -8.900 6.023 0.164 1.00 0.49 H new ATOM 0 HD13 LEU A 128 -7.411 6.471 1.030 1.00 0.49 H new ATOM 0 HD21 LEU A 128 -8.515 9.133 2.113 1.00 0.44 H new ATOM 0 HD22 LEU A 128 -6.900 8.956 1.385 1.00 0.44 H new ATOM 0 HD23 LEU A 128 -8.040 10.160 0.739 1.00 0.44 H new ATOM 1784 N ASN A 129 -6.907 9.463 -4.068 1.00 0.54 N ATOM 1785 CA ASN A 129 -6.042 9.286 -5.232 1.00 0.59 C ATOM 1786 C ASN A 129 -5.940 10.543 -6.083 1.00 0.65 C ATOM 1787 O ASN A 129 -5.153 10.594 -7.027 1.00 0.78 O ATOM 1788 CB ASN A 129 -6.539 8.122 -6.087 1.00 0.64 C ATOM 1789 CG ASN A 129 -6.125 6.777 -5.524 1.00 0.68 C ATOM 1790 OD1 ASN A 129 -5.043 6.272 -5.824 1.00 0.81 O ATOM 1791 ND2 ASN A 129 -6.986 6.183 -4.706 1.00 0.89 N ATOM 0 H ASN A 129 -7.885 9.657 -4.285 1.00 0.54 H new ATOM 0 HA ASN A 129 -5.043 9.068 -4.853 1.00 0.59 H new ATOM 0 HB2 ASN A 129 -7.626 8.165 -6.158 1.00 0.64 H new ATOM 0 HB3 ASN A 129 -6.149 8.225 -7.100 1.00 0.64 H new ATOM 0 HD21 ASN A 129 -6.761 5.274 -4.301 1.00 0.89 H new ATOM 0 HD22 ASN A 129 -7.872 6.635 -4.483 1.00 0.89 H new ATOM 1798 N ASN A 130 -6.734 11.548 -5.762 1.00 0.67 N ATOM 1799 CA ASN A 130 -6.719 12.796 -6.512 1.00 0.74 C ATOM 1800 C ASN A 130 -6.766 13.979 -5.558 1.00 0.80 C ATOM 1801 O ASN A 130 -7.873 14.498 -5.302 1.00 0.99 O ATOM 1802 CB ASN A 130 -7.901 12.869 -7.487 1.00 0.82 C ATOM 1803 CG ASN A 130 -7.834 11.818 -8.581 1.00 0.91 C ATOM 1804 OD1 ASN A 130 -7.210 12.025 -9.622 1.00 1.10 O ATOM 1805 ND2 ASN A 130 -8.489 10.688 -8.358 1.00 1.09 N ATOM 0 H ASN A 130 -7.398 11.527 -4.988 1.00 0.67 H new ATOM 0 HA ASN A 130 -5.795 12.832 -7.089 1.00 0.74 H new ATOM 0 HB2 ASN A 130 -8.831 12.748 -6.931 1.00 0.82 H new ATOM 0 HB3 ASN A 130 -7.928 13.859 -7.943 1.00 0.82 H new ATOM 0 HD21 ASN A 130 -8.488 9.950 -9.063 1.00 1.09 H new ATOM 0 HD22 ASN A 130 -8.994 10.556 -7.482 1.00 1.09 H new ATOM 1813 N ALA B 26 36.243 -8.713 9.129 1.00 1.24 N ATOM 1814 CA ALA B 26 35.179 -7.954 9.823 1.00 1.15 C ATOM 1815 C ALA B 26 33.991 -7.727 8.901 1.00 1.06 C ATOM 1816 O ALA B 26 34.097 -7.008 7.907 1.00 1.08 O ATOM 1817 CB ALA B 26 35.715 -6.621 10.326 1.00 1.27 C ATOM 0 HA ALA B 26 34.846 -8.542 10.678 1.00 1.15 H new ATOM 0 HB1 ALA B 26 34.919 -6.077 10.834 1.00 1.27 H new ATOM 0 HB2 ALA B 26 36.535 -6.798 11.022 1.00 1.27 H new ATOM 0 HB3 ALA B 26 36.076 -6.032 9.483 1.00 1.27 H new ATOM 1825 N PRO B 27 32.846 -8.354 9.207 1.00 1.03 N ATOM 1826 CA PRO B 27 31.635 -8.214 8.408 1.00 0.98 C ATOM 1827 C PRO B 27 30.848 -6.966 8.784 1.00 0.96 C ATOM 1828 O PRO B 27 31.264 -6.199 9.656 1.00 1.05 O ATOM 1829 CB PRO B 27 30.852 -9.475 8.762 1.00 1.03 C ATOM 1830 CG PRO B 27 31.244 -9.793 10.166 1.00 1.15 C ATOM 1831 CD PRO B 27 32.640 -9.252 10.364 1.00 1.12 C ATOM 0 HA PRO B 27 31.842 -8.107 7.343 1.00 0.98 H new ATOM 0 HB2 PRO B 27 29.778 -9.308 8.680 1.00 1.03 H new ATOM 0 HB3 PRO B 27 31.099 -10.295 8.088 1.00 1.03 H new ATOM 0 HG2 PRO B 27 30.550 -9.339 10.873 1.00 1.15 H new ATOM 0 HG3 PRO B 27 31.218 -10.869 10.340 1.00 1.15 H new ATOM 0 HD2 PRO B 27 32.729 -8.713 11.307 1.00 1.12 H new ATOM 0 HD3 PRO B 27 33.379 -10.053 10.384 1.00 1.12 H new ATOM 1839 N ALA B 28 29.724 -6.763 8.123 1.00 0.95 N ATOM 1840 CA ALA B 28 28.874 -5.614 8.391 1.00 0.96 C ATOM 1841 C ALA B 28 27.428 -5.951 8.071 1.00 0.90 C ATOM 1842 O ALA B 28 26.710 -5.138 7.493 1.00 0.88 O ATOM 1843 CB ALA B 28 29.338 -4.411 7.581 1.00 1.04 C ATOM 0 H ALA B 28 29.375 -7.382 7.391 1.00 0.95 H new ATOM 0 HA ALA B 28 28.946 -5.361 9.449 1.00 0.96 H new ATOM 0 HB1 ALA B 28 28.692 -3.559 7.792 1.00 1.04 H new ATOM 0 HB2 ALA B 28 30.365 -4.164 7.852 1.00 1.04 H new ATOM 0 HB3 ALA B 28 29.290 -4.648 6.518 1.00 1.04 H new ATOM 1849 N GLU B 29 27.018 -7.158 8.461 1.00 0.93 N ATOM 1850 CA GLU B 29 25.662 -7.652 8.218 1.00 0.90 C ATOM 1851 C GLU B 29 25.341 -7.674 6.723 1.00 0.85 C ATOM 1852 O GLU B 29 24.767 -6.728 6.178 1.00 0.82 O ATOM 1853 CB GLU B 29 24.628 -6.815 8.977 1.00 0.91 C ATOM 1854 CG GLU B 29 24.635 -7.063 10.479 1.00 1.14 C ATOM 1855 CD GLU B 29 23.689 -6.147 11.230 1.00 1.10 C ATOM 1856 OE1 GLU B 29 22.466 -6.399 11.205 1.00 1.29 O ATOM 1857 OE2 GLU B 29 24.170 -5.181 11.866 1.00 1.30 O ATOM 0 H GLU B 29 27.616 -7.821 8.954 1.00 0.93 H new ATOM 0 HA GLU B 29 25.613 -8.675 8.590 1.00 0.90 H new ATOM 0 HB2 GLU B 29 24.819 -5.758 8.790 1.00 0.91 H new ATOM 0 HB3 GLU B 29 23.635 -7.034 8.585 1.00 0.91 H new ATOM 0 HG2 GLU B 29 24.360 -8.100 10.673 1.00 1.14 H new ATOM 0 HG3 GLU B 29 25.647 -6.925 10.861 1.00 1.14 H new ATOM 1864 N PRO B 30 25.699 -8.775 6.041 1.00 0.88 N ATOM 1865 CA PRO B 30 25.464 -8.933 4.602 1.00 0.88 C ATOM 1866 C PRO B 30 24.018 -9.300 4.283 1.00 0.82 C ATOM 1867 O PRO B 30 23.737 -9.946 3.273 1.00 0.85 O ATOM 1868 CB PRO B 30 26.400 -10.080 4.231 1.00 1.00 C ATOM 1869 CG PRO B 30 26.491 -10.909 5.462 1.00 1.07 C ATOM 1870 CD PRO B 30 26.366 -9.961 6.623 1.00 0.98 C ATOM 0 HA PRO B 30 25.646 -8.011 4.050 1.00 0.88 H new ATOM 0 HB2 PRO B 30 26.007 -10.657 3.394 1.00 1.00 H new ATOM 0 HB3 PRO B 30 27.380 -9.709 3.930 1.00 1.00 H new ATOM 0 HG2 PRO B 30 25.699 -11.658 5.485 1.00 1.07 H new ATOM 0 HG3 PRO B 30 27.439 -11.446 5.499 1.00 1.07 H new ATOM 0 HD2 PRO B 30 25.777 -10.394 7.432 1.00 0.98 H new ATOM 0 HD3 PRO B 30 27.341 -9.708 7.039 1.00 0.98 H new ATOM 1878 N LYS B 31 23.107 -8.887 5.145 1.00 0.78 N ATOM 1879 CA LYS B 31 21.697 -9.158 4.957 1.00 0.74 C ATOM 1880 C LYS B 31 21.069 -8.025 4.156 1.00 0.69 C ATOM 1881 O LYS B 31 20.770 -6.967 4.700 1.00 0.73 O ATOM 1882 CB LYS B 31 20.998 -9.315 6.311 1.00 0.76 C ATOM 1883 CG LYS B 31 21.760 -10.200 7.286 1.00 0.92 C ATOM 1884 CD LYS B 31 20.853 -10.752 8.377 1.00 1.11 C ATOM 1885 CE LYS B 31 19.921 -11.833 7.845 1.00 1.32 C ATOM 1886 NZ LYS B 31 20.673 -13.004 7.316 1.00 1.45 N ATOM 0 H LYS B 31 23.323 -8.358 5.990 1.00 0.78 H new ATOM 0 HA LYS B 31 21.579 -10.092 4.407 1.00 0.74 H new ATOM 0 HB2 LYS B 31 20.861 -8.330 6.757 1.00 0.76 H new ATOM 0 HB3 LYS B 31 20.004 -9.734 6.152 1.00 0.76 H new ATOM 0 HG2 LYS B 31 22.220 -11.026 6.744 1.00 0.92 H new ATOM 0 HG3 LYS B 31 22.568 -9.628 7.741 1.00 0.92 H new ATOM 0 HD2 LYS B 31 21.462 -11.162 9.183 1.00 1.11 H new ATOM 0 HD3 LYS B 31 20.263 -9.941 8.804 1.00 1.11 H new ATOM 0 HE2 LYS B 31 19.253 -12.160 8.642 1.00 1.32 H new ATOM 0 HE3 LYS B 31 19.295 -11.417 7.055 1.00 1.32 H new ATOM 0 HZ1 LYS B 31 20.041 -13.828 7.265 1.00 1.45 H new ATOM 0 HZ2 LYS B 31 21.033 -12.785 6.365 1.00 1.45 H new ATOM 0 HZ3 LYS B 31 21.471 -13.218 7.948 1.00 1.45 H new ATOM 1900 N ILE B 32 20.902 -8.246 2.861 1.00 0.68 N ATOM 1901 CA ILE B 32 20.336 -7.236 1.983 1.00 0.66 C ATOM 1902 C ILE B 32 18.820 -7.369 1.903 1.00 0.62 C ATOM 1903 O ILE B 32 18.288 -8.467 1.713 1.00 0.67 O ATOM 1904 CB ILE B 32 20.965 -7.309 0.562 1.00 0.71 C ATOM 1905 CG1 ILE B 32 22.278 -6.516 0.511 1.00 0.88 C ATOM 1906 CG2 ILE B 32 20.006 -6.794 -0.503 1.00 0.80 C ATOM 1907 CD1 ILE B 32 23.435 -7.199 1.206 1.00 1.20 C ATOM 0 H ILE B 32 21.151 -9.118 2.395 1.00 0.68 H new ATOM 0 HA ILE B 32 20.572 -6.261 2.408 1.00 0.66 H new ATOM 0 HB ILE B 32 21.173 -8.358 0.352 1.00 0.71 H new ATOM 0 HG12 ILE B 32 22.545 -6.341 -0.531 1.00 0.88 H new ATOM 0 HG13 ILE B 32 22.119 -5.539 0.967 1.00 0.88 H new ATOM 0 HG21 ILE B 32 20.480 -6.860 -1.482 1.00 0.80 H new ATOM 0 HG22 ILE B 32 19.098 -7.397 -0.498 1.00 0.80 H new ATOM 0 HG23 ILE B 32 19.752 -5.755 -0.292 1.00 0.80 H new ATOM 0 HD11 ILE B 32 24.326 -6.576 1.126 1.00 1.20 H new ATOM 0 HD12 ILE B 32 23.190 -7.349 2.257 1.00 1.20 H new ATOM 0 HD13 ILE B 32 23.623 -8.164 0.736 1.00 1.20 H new ATOM 1919 N ILE B 33 18.135 -6.248 2.077 1.00 0.58 N ATOM 1920 CA ILE B 33 16.686 -6.207 2.013 1.00 0.56 C ATOM 1921 C ILE B 33 16.244 -5.624 0.677 1.00 0.54 C ATOM 1922 O ILE B 33 16.757 -4.591 0.241 1.00 0.60 O ATOM 1923 CB ILE B 33 16.077 -5.364 3.163 1.00 0.56 C ATOM 1924 CG1 ILE B 33 16.912 -4.103 3.418 1.00 0.59 C ATOM 1925 CG2 ILE B 33 15.968 -6.196 4.430 1.00 0.67 C ATOM 1926 CD1 ILE B 33 16.156 -3.002 4.131 1.00 0.67 C ATOM 0 H ILE B 33 18.569 -5.345 2.266 1.00 0.58 H new ATOM 0 HA ILE B 33 16.326 -7.231 2.117 1.00 0.56 H new ATOM 0 HB ILE B 33 15.076 -5.053 2.864 1.00 0.56 H new ATOM 0 HG12 ILE B 33 17.787 -4.372 4.010 1.00 0.59 H new ATOM 0 HG13 ILE B 33 17.277 -3.721 2.464 1.00 0.59 H new ATOM 0 HG21 ILE B 33 15.539 -5.590 5.228 1.00 0.67 H new ATOM 0 HG22 ILE B 33 15.328 -7.058 4.245 1.00 0.67 H new ATOM 0 HG23 ILE B 33 16.959 -6.538 4.727 1.00 0.67 H new ATOM 0 HD11 ILE B 33 16.813 -2.144 4.275 1.00 0.67 H new ATOM 0 HD12 ILE B 33 15.296 -2.704 3.531 1.00 0.67 H new ATOM 0 HD13 ILE B 33 15.814 -3.364 5.101 1.00 0.67 H new ATOM 1938 N LYS B 34 15.315 -6.300 0.018 1.00 0.53 N ATOM 1939 CA LYS B 34 14.810 -5.841 -1.266 1.00 0.53 C ATOM 1940 C LYS B 34 13.765 -4.755 -1.067 1.00 0.48 C ATOM 1941 O LYS B 34 12.727 -4.979 -0.442 1.00 0.57 O ATOM 1942 CB LYS B 34 14.228 -7.014 -2.052 1.00 0.58 C ATOM 1943 CG LYS B 34 15.292 -7.959 -2.586 1.00 0.76 C ATOM 1944 CD LYS B 34 14.693 -9.273 -3.051 1.00 0.87 C ATOM 1945 CE LYS B 34 15.670 -10.056 -3.915 1.00 1.07 C ATOM 1946 NZ LYS B 34 16.973 -10.273 -3.235 1.00 1.31 N ATOM 0 H LYS B 34 14.896 -7.168 0.352 1.00 0.53 H new ATOM 0 HA LYS B 34 15.636 -5.418 -1.838 1.00 0.53 H new ATOM 0 HB2 LYS B 34 13.545 -7.571 -1.410 1.00 0.58 H new ATOM 0 HB3 LYS B 34 13.640 -6.629 -2.886 1.00 0.58 H new ATOM 0 HG2 LYS B 34 15.817 -7.485 -3.415 1.00 0.76 H new ATOM 0 HG3 LYS B 34 16.032 -8.151 -1.809 1.00 0.76 H new ATOM 0 HD2 LYS B 34 14.410 -9.872 -2.185 1.00 0.87 H new ATOM 0 HD3 LYS B 34 13.781 -9.079 -3.616 1.00 0.87 H new ATOM 0 HE2 LYS B 34 15.232 -11.020 -4.173 1.00 1.07 H new ATOM 0 HE3 LYS B 34 15.835 -9.521 -4.850 1.00 1.07 H new ATOM 0 HZ1 LYS B 34 17.543 -10.949 -3.783 1.00 1.31 H new ATOM 0 HZ2 LYS B 34 17.482 -9.369 -3.163 1.00 1.31 H new ATOM 0 HZ3 LYS B 34 16.808 -10.654 -2.281 1.00 1.31 H new ATOM 1960 N VAL B 35 14.055 -3.575 -1.588 1.00 0.44 N ATOM 1961 CA VAL B 35 13.148 -2.446 -1.465 1.00 0.41 C ATOM 1962 C VAL B 35 12.607 -2.025 -2.832 1.00 0.42 C ATOM 1963 O VAL B 35 13.342 -1.515 -3.681 1.00 0.45 O ATOM 1964 CB VAL B 35 13.831 -1.243 -0.760 1.00 0.40 C ATOM 1965 CG1 VAL B 35 15.216 -0.978 -1.332 1.00 0.42 C ATOM 1966 CG2 VAL B 35 12.969 0.012 -0.853 1.00 0.40 C ATOM 0 H VAL B 35 14.913 -3.373 -2.101 1.00 0.44 H new ATOM 0 HA VAL B 35 12.310 -2.768 -0.846 1.00 0.41 H new ATOM 0 HB VAL B 35 13.943 -1.505 0.292 1.00 0.40 H new ATOM 0 HG11 VAL B 35 15.666 -0.130 -0.817 1.00 0.42 H new ATOM 0 HG12 VAL B 35 15.841 -1.860 -1.194 1.00 0.42 H new ATOM 0 HG13 VAL B 35 15.134 -0.754 -2.396 1.00 0.42 H new ATOM 0 HG21 VAL B 35 13.473 0.838 -0.351 1.00 0.40 H new ATOM 0 HG22 VAL B 35 12.810 0.267 -1.901 1.00 0.40 H new ATOM 0 HG23 VAL B 35 12.007 -0.171 -0.374 1.00 0.40 H new ATOM 1976 N THR B 36 11.324 -2.274 -3.047 1.00 0.41 N ATOM 1977 CA THR B 36 10.673 -1.912 -4.294 1.00 0.43 C ATOM 1978 C THR B 36 10.202 -0.458 -4.229 1.00 0.39 C ATOM 1979 O THR B 36 9.403 -0.099 -3.365 1.00 0.40 O ATOM 1980 CB THR B 36 9.477 -2.841 -4.568 1.00 0.48 C ATOM 1981 OG1 THR B 36 9.657 -4.090 -3.882 1.00 0.56 O ATOM 1982 CG2 THR B 36 9.320 -3.097 -6.055 1.00 0.57 C ATOM 0 H THR B 36 10.712 -2.728 -2.369 1.00 0.41 H new ATOM 0 HA THR B 36 11.390 -2.022 -5.108 1.00 0.43 H new ATOM 0 HB THR B 36 8.575 -2.350 -4.202 1.00 0.48 H new ATOM 0 HG1 THR B 36 10.505 -4.496 -4.159 1.00 0.56 H new ATOM 0 HG21 THR B 36 8.468 -3.756 -6.223 1.00 0.57 H new ATOM 0 HG22 THR B 36 9.154 -2.152 -6.571 1.00 0.57 H new ATOM 0 HG23 THR B 36 10.224 -3.568 -6.441 1.00 0.57 H new ATOM 1990 N VAL B 37 10.692 0.372 -5.137 1.00 0.41 N ATOM 1991 CA VAL B 37 10.346 1.788 -5.145 1.00 0.40 C ATOM 1992 C VAL B 37 9.307 2.119 -6.212 1.00 0.43 C ATOM 1993 O VAL B 37 9.558 1.971 -7.410 1.00 0.51 O ATOM 1994 CB VAL B 37 11.593 2.668 -5.391 1.00 0.46 C ATOM 1995 CG1 VAL B 37 11.292 4.129 -5.086 1.00 0.52 C ATOM 1996 CG2 VAL B 37 12.773 2.173 -4.566 1.00 0.46 C ATOM 0 H VAL B 37 11.332 0.090 -5.880 1.00 0.41 H new ATOM 0 HA VAL B 37 9.927 2.002 -4.161 1.00 0.40 H new ATOM 0 HB VAL B 37 11.861 2.592 -6.445 1.00 0.46 H new ATOM 0 HG11 VAL B 37 12.184 4.729 -5.266 1.00 0.52 H new ATOM 0 HG12 VAL B 37 10.484 4.476 -5.730 1.00 0.52 H new ATOM 0 HG13 VAL B 37 10.992 4.229 -4.043 1.00 0.52 H new ATOM 0 HG21 VAL B 37 13.640 2.806 -4.754 1.00 0.46 H new ATOM 0 HG22 VAL B 37 12.518 2.212 -3.507 1.00 0.46 H new ATOM 0 HG23 VAL B 37 13.007 1.146 -4.845 1.00 0.46 H new ATOM 2006 N LYS B 38 8.138 2.557 -5.766 1.00 0.41 N ATOM 2007 CA LYS B 38 7.070 2.949 -6.667 1.00 0.46 C ATOM 2008 C LYS B 38 7.219 4.426 -7.007 1.00 0.50 C ATOM 2009 O LYS B 38 6.957 5.301 -6.170 1.00 0.63 O ATOM 2010 CB LYS B 38 5.697 2.687 -6.040 1.00 0.51 C ATOM 2011 CG LYS B 38 5.331 1.213 -5.976 1.00 0.65 C ATOM 2012 CD LYS B 38 4.094 0.977 -5.123 1.00 0.80 C ATOM 2013 CE LYS B 38 2.824 1.391 -5.842 1.00 1.18 C ATOM 2014 NZ LYS B 38 1.618 1.120 -5.024 1.00 1.38 N ATOM 0 H LYS B 38 7.907 2.649 -4.777 1.00 0.41 H new ATOM 0 HA LYS B 38 7.140 2.353 -7.577 1.00 0.46 H new ATOM 0 HB2 LYS B 38 5.682 3.101 -5.032 1.00 0.51 H new ATOM 0 HB3 LYS B 38 4.937 3.217 -6.614 1.00 0.51 H new ATOM 0 HG2 LYS B 38 5.155 0.838 -6.984 1.00 0.65 H new ATOM 0 HG3 LYS B 38 6.168 0.648 -5.567 1.00 0.65 H new ATOM 0 HD2 LYS B 38 4.033 -0.078 -4.856 1.00 0.80 H new ATOM 0 HD3 LYS B 38 4.183 1.537 -4.192 1.00 0.80 H new ATOM 0 HE2 LYS B 38 2.871 2.454 -6.081 1.00 1.18 H new ATOM 0 HE3 LYS B 38 2.750 0.855 -6.788 1.00 1.18 H new ATOM 0 HZ1 LYS B 38 0.810 1.648 -5.411 1.00 1.38 H new ATOM 0 HZ2 LYS B 38 1.407 0.102 -5.043 1.00 1.38 H new ATOM 0 HZ3 LYS B 38 1.790 1.419 -4.043 1.00 1.38 H new ATOM 2028 N THR B 39 7.638 4.699 -8.234 1.00 0.55 N ATOM 2029 CA THR B 39 7.858 6.062 -8.692 1.00 0.60 C ATOM 2030 C THR B 39 6.855 6.424 -9.780 1.00 0.65 C ATOM 2031 O THR B 39 6.228 5.537 -10.361 1.00 0.67 O ATOM 2032 CB THR B 39 9.294 6.231 -9.237 1.00 0.64 C ATOM 2033 OG1 THR B 39 9.810 4.961 -9.657 1.00 0.78 O ATOM 2034 CG2 THR B 39 10.209 6.821 -8.182 1.00 0.68 C ATOM 0 H THR B 39 7.834 3.986 -8.936 1.00 0.55 H new ATOM 0 HA THR B 39 7.723 6.730 -7.841 1.00 0.60 H new ATOM 0 HB THR B 39 9.256 6.913 -10.087 1.00 0.64 H new ATOM 0 HG1 THR B 39 9.138 4.498 -10.199 1.00 0.78 H new ATOM 0 HG21 THR B 39 11.213 6.930 -8.591 1.00 0.68 H new ATOM 0 HG22 THR B 39 9.833 7.798 -7.879 1.00 0.68 H new ATOM 0 HG23 THR B 39 10.240 6.160 -7.316 1.00 0.68 H new ATOM 2042 N PRO B 40 6.668 7.727 -10.065 1.00 0.71 N ATOM 2043 CA PRO B 40 5.741 8.183 -11.108 1.00 0.78 C ATOM 2044 C PRO B 40 6.288 7.915 -12.509 1.00 0.81 C ATOM 2045 O PRO B 40 6.350 8.816 -13.350 1.00 0.87 O ATOM 2046 CB PRO B 40 5.641 9.688 -10.854 1.00 0.83 C ATOM 2047 CG PRO B 40 6.927 10.052 -10.200 1.00 0.85 C ATOM 2048 CD PRO B 40 7.328 8.859 -9.380 1.00 0.73 C ATOM 0 HA PRO B 40 4.782 7.666 -11.066 1.00 0.78 H new ATOM 0 HB2 PRO B 40 5.502 10.237 -11.785 1.00 0.83 H new ATOM 0 HB3 PRO B 40 4.791 9.925 -10.214 1.00 0.83 H new ATOM 0 HG2 PRO B 40 7.689 10.289 -10.943 1.00 0.85 H new ATOM 0 HG3 PRO B 40 6.809 10.935 -9.572 1.00 0.85 H new ATOM 0 HD2 PRO B 40 8.411 8.736 -9.355 1.00 0.73 H new ATOM 0 HD3 PRO B 40 6.994 8.952 -8.347 1.00 0.73 H new ATOM 2056 N LYS B 41 6.675 6.669 -12.751 1.00 0.82 N ATOM 2057 CA LYS B 41 7.238 6.264 -14.031 1.00 0.87 C ATOM 2058 C LYS B 41 7.287 4.745 -14.121 1.00 0.84 C ATOM 2059 O LYS B 41 6.544 4.133 -14.887 1.00 0.92 O ATOM 2060 CB LYS B 41 8.648 6.851 -14.190 1.00 0.93 C ATOM 2061 CG LYS B 41 9.307 6.540 -15.523 1.00 1.13 C ATOM 2062 CD LYS B 41 10.350 7.586 -15.887 1.00 1.21 C ATOM 2063 CE LYS B 41 11.498 7.616 -14.888 1.00 1.44 C ATOM 2064 NZ LYS B 41 12.216 8.921 -14.905 1.00 1.37 N ATOM 0 H LYS B 41 6.608 5.914 -12.068 1.00 0.82 H new ATOM 0 HA LYS B 41 6.606 6.642 -14.834 1.00 0.87 H new ATOM 0 HB2 LYS B 41 8.595 7.933 -14.068 1.00 0.93 H new ATOM 0 HB3 LYS B 41 9.280 6.470 -13.388 1.00 0.93 H new ATOM 0 HG2 LYS B 41 9.776 5.557 -15.478 1.00 1.13 H new ATOM 0 HG3 LYS B 41 8.548 6.495 -16.304 1.00 1.13 H new ATOM 0 HD2 LYS B 41 10.741 7.377 -16.883 1.00 1.21 H new ATOM 0 HD3 LYS B 41 9.880 8.568 -15.929 1.00 1.21 H new ATOM 0 HE2 LYS B 41 11.112 7.427 -13.886 1.00 1.44 H new ATOM 0 HE3 LYS B 41 12.199 6.813 -15.116 1.00 1.44 H new ATOM 0 HZ1 LYS B 41 12.990 8.900 -14.211 1.00 1.37 H new ATOM 0 HZ2 LYS B 41 12.606 9.090 -15.854 1.00 1.37 H new ATOM 0 HZ3 LYS B 41 11.553 9.685 -14.662 1.00 1.37 H new ATOM 2078 N GLU B 42 8.146 4.145 -13.317 1.00 0.77 N ATOM 2079 CA GLU B 42 8.301 2.700 -13.296 1.00 0.75 C ATOM 2080 C GLU B 42 8.396 2.214 -11.855 1.00 0.70 C ATOM 2081 O GLU B 42 8.163 2.978 -10.915 1.00 0.73 O ATOM 2082 CB GLU B 42 9.556 2.301 -14.077 1.00 0.83 C ATOM 2083 CG GLU B 42 9.394 1.034 -14.904 1.00 1.03 C ATOM 2084 CD GLU B 42 8.364 1.183 -16.008 1.00 1.08 C ATOM 2085 OE1 GLU B 42 8.740 1.605 -17.125 1.00 1.28 O ATOM 2086 OE2 GLU B 42 7.179 0.870 -15.766 1.00 1.41 O ATOM 0 H GLU B 42 8.753 4.641 -12.664 1.00 0.77 H new ATOM 0 HA GLU B 42 7.434 2.236 -13.767 1.00 0.75 H new ATOM 0 HB2 GLU B 42 9.836 3.121 -14.738 1.00 0.83 H new ATOM 0 HB3 GLU B 42 10.379 2.162 -13.376 1.00 0.83 H new ATOM 0 HG2 GLU B 42 10.355 0.766 -15.343 1.00 1.03 H new ATOM 0 HG3 GLU B 42 9.103 0.213 -14.249 1.00 1.03 H new ATOM 2093 N LYS B 43 8.734 0.947 -11.687 1.00 0.68 N ATOM 2094 CA LYS B 43 8.868 0.363 -10.364 1.00 0.64 C ATOM 2095 C LYS B 43 10.174 -0.414 -10.281 1.00 0.63 C ATOM 2096 O LYS B 43 10.247 -1.576 -10.683 1.00 0.74 O ATOM 2097 CB LYS B 43 7.677 -0.550 -10.054 1.00 0.67 C ATOM 2098 CG LYS B 43 7.624 -1.007 -8.604 1.00 0.67 C ATOM 2099 CD LYS B 43 6.378 -1.823 -8.311 1.00 0.74 C ATOM 2100 CE LYS B 43 6.426 -3.181 -8.987 1.00 0.83 C ATOM 2101 NZ LYS B 43 5.258 -4.023 -8.626 1.00 0.98 N ATOM 0 H LYS B 43 8.921 0.301 -12.454 1.00 0.68 H new ATOM 0 HA LYS B 43 8.881 1.162 -9.622 1.00 0.64 H new ATOM 0 HB2 LYS B 43 6.753 -0.023 -10.295 1.00 0.67 H new ATOM 0 HB3 LYS B 43 7.723 -1.426 -10.701 1.00 0.67 H new ATOM 0 HG2 LYS B 43 8.509 -1.602 -8.379 1.00 0.67 H new ATOM 0 HG3 LYS B 43 7.650 -0.137 -7.948 1.00 0.67 H new ATOM 0 HD2 LYS B 43 6.275 -1.956 -7.234 1.00 0.74 H new ATOM 0 HD3 LYS B 43 5.497 -1.278 -8.651 1.00 0.74 H new ATOM 0 HE2 LYS B 43 6.456 -3.047 -10.068 1.00 0.83 H new ATOM 0 HE3 LYS B 43 7.345 -3.695 -8.704 1.00 0.83 H new ATOM 0 HZ1 LYS B 43 5.330 -4.941 -9.109 1.00 0.98 H new ATOM 0 HZ2 LYS B 43 5.243 -4.173 -7.597 1.00 0.98 H new ATOM 0 HZ3 LYS B 43 4.382 -3.545 -8.919 1.00 0.98 H new ATOM 2115 N GLU B 44 11.206 0.241 -9.773 1.00 0.59 N ATOM 2116 CA GLU B 44 12.518 -0.378 -9.648 1.00 0.60 C ATOM 2117 C GLU B 44 12.731 -0.890 -8.229 1.00 0.56 C ATOM 2118 O GLU B 44 12.106 -0.406 -7.286 1.00 0.60 O ATOM 2119 CB GLU B 44 13.608 0.631 -10.016 1.00 0.64 C ATOM 2120 CG GLU B 44 14.950 -0.006 -10.341 1.00 0.81 C ATOM 2121 CD GLU B 44 14.849 -1.084 -11.401 1.00 1.02 C ATOM 2122 OE1 GLU B 44 14.631 -0.744 -12.586 1.00 1.21 O ATOM 2123 OE2 GLU B 44 14.991 -2.276 -11.055 1.00 1.24 O ATOM 0 H GLU B 44 11.161 1.204 -9.439 1.00 0.59 H new ATOM 0 HA GLU B 44 12.573 -1.225 -10.332 1.00 0.60 H new ATOM 0 HB2 GLU B 44 13.275 1.214 -10.875 1.00 0.64 H new ATOM 0 HB3 GLU B 44 13.738 1.329 -9.189 1.00 0.64 H new ATOM 0 HG2 GLU B 44 15.641 0.766 -10.680 1.00 0.81 H new ATOM 0 HG3 GLU B 44 15.372 -0.435 -9.432 1.00 0.81 H new ATOM 2130 N GLU B 45 13.608 -1.872 -8.082 1.00 0.56 N ATOM 2131 CA GLU B 45 13.899 -2.440 -6.778 1.00 0.53 C ATOM 2132 C GLU B 45 15.380 -2.281 -6.463 1.00 0.55 C ATOM 2133 O GLU B 45 16.239 -2.683 -7.248 1.00 0.64 O ATOM 2134 CB GLU B 45 13.492 -3.913 -6.733 1.00 0.57 C ATOM 2135 CG GLU B 45 13.558 -4.521 -5.341 1.00 0.58 C ATOM 2136 CD GLU B 45 12.719 -5.775 -5.217 1.00 0.76 C ATOM 2137 OE1 GLU B 45 13.220 -6.863 -5.566 1.00 0.99 O ATOM 2138 OE2 GLU B 45 11.556 -5.679 -4.772 1.00 0.94 O ATOM 0 H GLU B 45 14.130 -2.291 -8.852 1.00 0.56 H new ATOM 0 HA GLU B 45 13.322 -1.906 -6.023 1.00 0.53 H new ATOM 0 HB2 GLU B 45 12.476 -4.012 -7.116 1.00 0.57 H new ATOM 0 HB3 GLU B 45 14.141 -4.481 -7.400 1.00 0.57 H new ATOM 0 HG2 GLU B 45 14.595 -4.756 -5.099 1.00 0.58 H new ATOM 0 HG3 GLU B 45 13.219 -3.787 -4.611 1.00 0.58 H new ATOM 2145 N PHE B 46 15.669 -1.686 -5.318 1.00 0.51 N ATOM 2146 CA PHE B 46 17.043 -1.458 -4.899 1.00 0.54 C ATOM 2147 C PHE B 46 17.471 -2.513 -3.888 1.00 0.54 C ATOM 2148 O PHE B 46 16.634 -3.182 -3.282 1.00 0.54 O ATOM 2149 CB PHE B 46 17.192 -0.056 -4.297 1.00 0.53 C ATOM 2150 CG PHE B 46 17.331 1.039 -5.322 1.00 0.58 C ATOM 2151 CD1 PHE B 46 16.290 1.344 -6.182 1.00 0.72 C ATOM 2152 CD2 PHE B 46 18.510 1.765 -5.420 1.00 0.78 C ATOM 2153 CE1 PHE B 46 16.419 2.349 -7.122 1.00 0.85 C ATOM 2154 CE2 PHE B 46 18.645 2.771 -6.357 1.00 0.90 C ATOM 2155 CZ PHE B 46 17.598 3.064 -7.211 1.00 0.87 C ATOM 0 H PHE B 46 14.967 -1.350 -4.659 1.00 0.51 H new ATOM 0 HA PHE B 46 17.688 -1.532 -5.774 1.00 0.54 H new ATOM 0 HB2 PHE B 46 16.324 0.154 -3.672 1.00 0.53 H new ATOM 0 HB3 PHE B 46 18.066 -0.043 -3.645 1.00 0.53 H new ATOM 0 HD1 PHE B 46 15.365 0.790 -6.118 1.00 0.72 H new ATOM 0 HD2 PHE B 46 19.332 1.541 -4.756 1.00 0.78 H new ATOM 0 HE1 PHE B 46 15.598 2.575 -7.787 1.00 0.85 H new ATOM 0 HE2 PHE B 46 19.568 3.328 -6.422 1.00 0.90 H new ATOM 0 HZ PHE B 46 17.701 3.849 -7.945 1.00 0.87 H new ATOM 2165 N ALA B 47 18.774 -2.660 -3.719 1.00 0.57 N ATOM 2166 CA ALA B 47 19.320 -3.626 -2.783 1.00 0.60 C ATOM 2167 C ALA B 47 20.205 -2.934 -1.757 1.00 0.60 C ATOM 2168 O ALA B 47 21.273 -2.427 -2.094 1.00 0.66 O ATOM 2169 CB ALA B 47 20.106 -4.693 -3.525 1.00 0.69 C ATOM 0 H ALA B 47 19.477 -2.118 -4.222 1.00 0.57 H new ATOM 0 HA ALA B 47 18.493 -4.104 -2.258 1.00 0.60 H new ATOM 0 HB1 ALA B 47 20.510 -5.410 -2.811 1.00 0.69 H new ATOM 0 HB2 ALA B 47 19.448 -5.209 -4.225 1.00 0.69 H new ATOM 0 HB3 ALA B 47 20.925 -4.227 -4.073 1.00 0.69 H new ATOM 2175 N VAL B 48 19.748 -2.904 -0.514 1.00 0.57 N ATOM 2176 CA VAL B 48 20.495 -2.275 0.566 1.00 0.59 C ATOM 2177 C VAL B 48 20.577 -3.210 1.765 1.00 0.58 C ATOM 2178 O VAL B 48 19.657 -3.983 2.014 1.00 0.57 O ATOM 2179 CB VAL B 48 19.859 -0.933 1.003 1.00 0.59 C ATOM 2180 CG1 VAL B 48 20.154 0.160 -0.012 1.00 0.66 C ATOM 2181 CG2 VAL B 48 18.357 -1.078 1.206 1.00 0.56 C ATOM 0 H VAL B 48 18.858 -3.311 -0.227 1.00 0.57 H new ATOM 0 HA VAL B 48 21.497 -2.069 0.188 1.00 0.59 H new ATOM 0 HB VAL B 48 20.305 -0.649 1.956 1.00 0.59 H new ATOM 0 HG11 VAL B 48 19.697 1.094 0.316 1.00 0.66 H new ATOM 0 HG12 VAL B 48 21.232 0.294 -0.099 1.00 0.66 H new ATOM 0 HG13 VAL B 48 19.744 -0.124 -0.981 1.00 0.66 H new ATOM 0 HG21 VAL B 48 17.937 -0.120 1.513 1.00 0.56 H new ATOM 0 HG22 VAL B 48 17.893 -1.396 0.272 1.00 0.56 H new ATOM 0 HG23 VAL B 48 18.164 -1.822 1.979 1.00 0.56 H new ATOM 2191 N PRO B 49 21.690 -3.177 2.504 1.00 0.62 N ATOM 2192 CA PRO B 49 21.869 -4.022 3.685 1.00 0.63 C ATOM 2193 C PRO B 49 21.009 -3.551 4.861 1.00 0.60 C ATOM 2194 O PRO B 49 20.703 -2.361 4.984 1.00 0.61 O ATOM 2195 CB PRO B 49 23.359 -3.881 3.999 1.00 0.69 C ATOM 2196 CG PRO B 49 23.766 -2.575 3.415 1.00 0.79 C ATOM 2197 CD PRO B 49 22.866 -2.325 2.241 1.00 0.67 C ATOM 0 HA PRO B 49 21.563 -5.053 3.510 1.00 0.63 H new ATOM 0 HB2 PRO B 49 23.537 -3.903 5.074 1.00 0.69 H new ATOM 0 HB3 PRO B 49 23.931 -4.701 3.564 1.00 0.69 H new ATOM 0 HG2 PRO B 49 23.672 -1.776 4.151 1.00 0.79 H new ATOM 0 HG3 PRO B 49 24.810 -2.600 3.103 1.00 0.79 H new ATOM 0 HD2 PRO B 49 22.589 -1.273 2.168 1.00 0.67 H new ATOM 0 HD3 PRO B 49 23.351 -2.593 1.302 1.00 0.67 H new ATOM 2205 N GLU B 50 20.625 -4.489 5.725 1.00 0.61 N ATOM 2206 CA GLU B 50 19.788 -4.195 6.888 1.00 0.61 C ATOM 2207 C GLU B 50 20.584 -3.512 8.008 1.00 0.67 C ATOM 2208 O GLU B 50 20.423 -3.840 9.184 1.00 1.01 O ATOM 2209 CB GLU B 50 19.150 -5.484 7.417 1.00 0.68 C ATOM 2210 CG GLU B 50 17.673 -5.340 7.759 1.00 0.86 C ATOM 2211 CD GLU B 50 17.145 -6.488 8.600 1.00 0.93 C ATOM 2212 OE1 GLU B 50 17.024 -7.617 8.073 1.00 1.08 O ATOM 2213 OE2 GLU B 50 16.843 -6.264 9.795 1.00 1.12 O ATOM 0 H GLU B 50 20.884 -5.472 5.640 1.00 0.61 H new ATOM 0 HA GLU B 50 19.009 -3.505 6.564 1.00 0.61 H new ATOM 0 HB2 GLU B 50 19.266 -6.269 6.670 1.00 0.68 H new ATOM 0 HB3 GLU B 50 19.690 -5.808 8.307 1.00 0.68 H new ATOM 0 HG2 GLU B 50 17.519 -4.403 8.295 1.00 0.86 H new ATOM 0 HG3 GLU B 50 17.096 -5.277 6.836 1.00 0.86 H new ATOM 2220 N ASN B 51 21.437 -2.564 7.639 1.00 0.67 N ATOM 2221 CA ASN B 51 22.242 -1.830 8.612 1.00 0.69 C ATOM 2222 C ASN B 51 22.457 -0.386 8.161 1.00 0.71 C ATOM 2223 O ASN B 51 23.084 0.407 8.866 1.00 0.96 O ATOM 2224 CB ASN B 51 23.595 -2.518 8.839 1.00 0.76 C ATOM 2225 CG ASN B 51 24.565 -2.324 7.691 1.00 0.86 C ATOM 2226 OD1 ASN B 51 24.173 -2.262 6.530 1.00 0.87 O ATOM 2227 ND2 ASN B 51 25.843 -2.209 8.009 1.00 1.20 N ATOM 0 H ASN B 51 21.590 -2.284 6.670 1.00 0.67 H new ATOM 0 HA ASN B 51 21.696 -1.823 9.555 1.00 0.69 H new ATOM 0 HB2 ASN B 51 24.043 -2.130 9.754 1.00 0.76 H new ATOM 0 HB3 ASN B 51 23.431 -3.585 8.991 1.00 0.76 H new ATOM 0 HD21 ASN B 51 26.539 -2.064 7.278 1.00 1.20 H new ATOM 0 HD22 ASN B 51 26.133 -2.266 8.985 1.00 1.20 H new ATOM 2234 N SER B 52 21.916 -0.044 6.996 1.00 0.65 N ATOM 2235 CA SER B 52 22.062 1.300 6.450 1.00 0.67 C ATOM 2236 C SER B 52 20.928 2.214 6.904 1.00 0.63 C ATOM 2237 O SER B 52 19.843 1.752 7.262 1.00 0.68 O ATOM 2238 CB SER B 52 22.103 1.247 4.922 1.00 0.71 C ATOM 2239 OG SER B 52 23.172 0.433 4.470 1.00 0.86 O ATOM 0 H SER B 52 21.372 -0.679 6.412 1.00 0.65 H new ATOM 0 HA SER B 52 23.000 1.710 6.825 1.00 0.67 H new ATOM 0 HB2 SER B 52 21.159 0.857 4.543 1.00 0.71 H new ATOM 0 HB3 SER B 52 22.215 2.255 4.523 1.00 0.71 H new ATOM 0 HG SER B 52 23.177 0.413 3.490 1.00 0.86 H new ATOM 2245 N SER B 53 21.198 3.508 6.894 1.00 0.65 N ATOM 2246 CA SER B 53 20.217 4.505 7.273 1.00 0.64 C ATOM 2247 C SER B 53 19.527 5.051 6.024 1.00 0.57 C ATOM 2248 O SER B 53 19.950 4.767 4.899 1.00 0.58 O ATOM 2249 CB SER B 53 20.903 5.634 8.034 1.00 0.75 C ATOM 2250 OG SER B 53 21.871 5.125 8.936 1.00 0.89 O ATOM 0 H SER B 53 22.102 3.895 6.623 1.00 0.65 H new ATOM 0 HA SER B 53 19.466 4.049 7.918 1.00 0.64 H new ATOM 0 HB2 SER B 53 21.380 6.315 7.329 1.00 0.75 H new ATOM 0 HB3 SER B 53 20.159 6.212 8.582 1.00 0.75 H new ATOM 0 HG SER B 53 22.298 5.868 9.411 1.00 0.89 H new ATOM 2256 N VAL B 54 18.477 5.839 6.217 1.00 0.54 N ATOM 2257 CA VAL B 54 17.739 6.412 5.097 1.00 0.49 C ATOM 2258 C VAL B 54 18.554 7.511 4.420 1.00 0.48 C ATOM 2259 O VAL B 54 18.441 7.722 3.214 1.00 0.47 O ATOM 2260 CB VAL B 54 16.376 6.980 5.549 1.00 0.52 C ATOM 2261 CG1 VAL B 54 15.533 7.412 4.354 1.00 0.57 C ATOM 2262 CG2 VAL B 54 15.630 5.949 6.378 1.00 0.58 C ATOM 0 H VAL B 54 18.117 6.096 7.136 1.00 0.54 H new ATOM 0 HA VAL B 54 17.557 5.608 4.383 1.00 0.49 H new ATOM 0 HB VAL B 54 16.562 7.862 6.162 1.00 0.52 H new ATOM 0 HG11 VAL B 54 14.580 7.807 4.705 1.00 0.57 H new ATOM 0 HG12 VAL B 54 16.062 8.184 3.795 1.00 0.57 H new ATOM 0 HG13 VAL B 54 15.353 6.554 3.706 1.00 0.57 H new ATOM 0 HG21 VAL B 54 14.670 6.360 6.692 1.00 0.58 H new ATOM 0 HG22 VAL B 54 15.463 5.053 5.780 1.00 0.58 H new ATOM 0 HG23 VAL B 54 16.220 5.693 7.258 1.00 0.58 H new ATOM 2272 N GLN B 55 19.395 8.188 5.200 1.00 0.53 N ATOM 2273 CA GLN B 55 20.240 9.263 4.683 1.00 0.58 C ATOM 2274 C GLN B 55 21.055 8.801 3.473 1.00 0.58 C ATOM 2275 O GLN B 55 21.015 9.424 2.409 1.00 0.64 O ATOM 2276 CB GLN B 55 21.177 9.773 5.782 1.00 0.67 C ATOM 2277 CG GLN B 55 20.719 11.073 6.426 1.00 0.88 C ATOM 2278 CD GLN B 55 21.432 11.365 7.731 1.00 0.92 C ATOM 2279 OE1 GLN B 55 22.591 10.990 7.918 1.00 1.13 O ATOM 2280 NE2 GLN B 55 20.744 12.041 8.644 1.00 1.23 N ATOM 0 H GLN B 55 19.510 8.010 6.198 1.00 0.53 H new ATOM 0 HA GLN B 55 19.588 10.074 4.360 1.00 0.58 H new ATOM 0 HB2 GLN B 55 21.267 9.008 6.554 1.00 0.67 H new ATOM 0 HB3 GLN B 55 22.171 9.918 5.360 1.00 0.67 H new ATOM 0 HG2 GLN B 55 20.889 11.896 5.732 1.00 0.88 H new ATOM 0 HG3 GLN B 55 19.645 11.025 6.607 1.00 0.88 H new ATOM 0 HE21 GLN B 55 19.786 12.333 8.448 1.00 1.23 H new ATOM 0 HE22 GLN B 55 21.173 12.269 9.541 1.00 1.23 H new ATOM 2289 N GLN B 56 21.767 7.691 3.637 1.00 0.56 N ATOM 2290 CA GLN B 56 22.591 7.137 2.567 1.00 0.60 C ATOM 2291 C GLN B 56 21.724 6.620 1.419 1.00 0.55 C ATOM 2292 O GLN B 56 22.072 6.774 0.247 1.00 0.62 O ATOM 2293 CB GLN B 56 23.457 5.998 3.108 1.00 0.65 C ATOM 2294 CG GLN B 56 24.520 5.511 2.136 1.00 0.80 C ATOM 2295 CD GLN B 56 25.905 6.012 2.490 1.00 1.02 C ATOM 2296 OE1 GLN B 56 26.638 5.368 3.241 1.00 1.35 O ATOM 2297 NE2 GLN B 56 26.278 7.159 1.955 1.00 1.27 N ATOM 0 H GLN B 56 21.790 7.155 4.504 1.00 0.56 H new ATOM 0 HA GLN B 56 23.231 7.933 2.187 1.00 0.60 H new ATOM 0 HB2 GLN B 56 23.943 6.330 4.025 1.00 0.65 H new ATOM 0 HB3 GLN B 56 22.812 5.160 3.374 1.00 0.65 H new ATOM 0 HG2 GLN B 56 24.524 4.421 2.123 1.00 0.80 H new ATOM 0 HG3 GLN B 56 24.265 5.840 1.129 1.00 0.80 H new ATOM 0 HE21 GLN B 56 25.643 7.664 1.337 1.00 1.27 H new ATOM 0 HE22 GLN B 56 27.202 7.541 2.159 1.00 1.27 H new ATOM 2306 N PHE B 57 20.591 6.016 1.769 1.00 0.50 N ATOM 2307 CA PHE B 57 19.671 5.465 0.781 1.00 0.49 C ATOM 2308 C PHE B 57 19.115 6.564 -0.124 1.00 0.47 C ATOM 2309 O PHE B 57 19.053 6.402 -1.344 1.00 0.49 O ATOM 2310 CB PHE B 57 18.527 4.727 1.486 1.00 0.48 C ATOM 2311 CG PHE B 57 17.577 4.026 0.555 1.00 0.50 C ATOM 2312 CD1 PHE B 57 18.048 3.310 -0.534 1.00 0.56 C ATOM 2313 CD2 PHE B 57 16.212 4.082 0.776 1.00 0.53 C ATOM 2314 CE1 PHE B 57 17.175 2.664 -1.387 1.00 0.64 C ATOM 2315 CE2 PHE B 57 15.334 3.439 -0.074 1.00 0.59 C ATOM 2316 CZ PHE B 57 15.816 2.728 -1.157 1.00 0.64 C ATOM 0 H PHE B 57 20.288 5.896 2.736 1.00 0.50 H new ATOM 0 HA PHE B 57 20.220 4.760 0.156 1.00 0.49 H new ATOM 0 HB2 PHE B 57 18.951 3.995 2.173 1.00 0.48 H new ATOM 0 HB3 PHE B 57 17.966 5.441 2.089 1.00 0.48 H new ATOM 0 HD1 PHE B 57 19.111 3.257 -0.718 1.00 0.56 H new ATOM 0 HD2 PHE B 57 15.830 4.634 1.622 1.00 0.53 H new ATOM 0 HE1 PHE B 57 17.555 2.110 -2.232 1.00 0.64 H new ATOM 0 HE2 PHE B 57 14.271 3.492 0.107 1.00 0.59 H new ATOM 0 HZ PHE B 57 15.130 2.224 -1.822 1.00 0.64 H new ATOM 2326 N LYS B 58 18.731 7.686 0.475 1.00 0.47 N ATOM 2327 CA LYS B 58 18.186 8.808 -0.281 1.00 0.48 C ATOM 2328 C LYS B 58 19.184 9.299 -1.322 1.00 0.49 C ATOM 2329 O LYS B 58 18.833 9.495 -2.485 1.00 0.53 O ATOM 2330 CB LYS B 58 17.810 9.959 0.653 1.00 0.53 C ATOM 2331 CG LYS B 58 16.613 9.661 1.541 1.00 0.62 C ATOM 2332 CD LYS B 58 16.168 10.891 2.316 1.00 0.70 C ATOM 2333 CE LYS B 58 15.441 11.878 1.417 1.00 0.77 C ATOM 2334 NZ LYS B 58 15.221 13.185 2.087 1.00 1.01 N ATOM 0 H LYS B 58 18.787 7.843 1.481 1.00 0.47 H new ATOM 0 HA LYS B 58 17.289 8.458 -0.792 1.00 0.48 H new ATOM 0 HB2 LYS B 58 18.667 10.199 1.282 1.00 0.53 H new ATOM 0 HB3 LYS B 58 17.596 10.845 0.055 1.00 0.53 H new ATOM 0 HG2 LYS B 58 15.787 9.298 0.929 1.00 0.62 H new ATOM 0 HG3 LYS B 58 16.867 8.863 2.239 1.00 0.62 H new ATOM 0 HD2 LYS B 58 15.513 10.591 3.134 1.00 0.70 H new ATOM 0 HD3 LYS B 58 17.036 11.375 2.764 1.00 0.70 H new ATOM 0 HE2 LYS B 58 16.018 12.031 0.505 1.00 0.77 H new ATOM 0 HE3 LYS B 58 14.481 11.457 1.119 1.00 0.77 H new ATOM 0 HZ1 LYS B 58 15.297 13.951 1.387 1.00 1.01 H new ATOM 0 HZ2 LYS B 58 14.274 13.200 2.516 1.00 1.01 H new ATOM 0 HZ3 LYS B 58 15.938 13.320 2.828 1.00 1.01 H new ATOM 2348 N GLU B 59 20.431 9.474 -0.900 1.00 0.51 N ATOM 2349 CA GLU B 59 21.483 9.943 -1.792 1.00 0.56 C ATOM 2350 C GLU B 59 21.684 8.984 -2.960 1.00 0.57 C ATOM 2351 O GLU B 59 22.036 9.398 -4.064 1.00 0.65 O ATOM 2352 CB GLU B 59 22.790 10.124 -1.027 1.00 0.63 C ATOM 2353 CG GLU B 59 22.754 11.280 -0.044 1.00 1.06 C ATOM 2354 CD GLU B 59 24.133 11.706 0.403 1.00 0.97 C ATOM 2355 OE1 GLU B 59 25.099 11.524 -0.370 1.00 1.30 O ATOM 2356 OE2 GLU B 59 24.259 12.235 1.529 1.00 1.14 O ATOM 0 H GLU B 59 20.738 9.298 0.057 1.00 0.51 H new ATOM 0 HA GLU B 59 21.174 10.907 -2.195 1.00 0.56 H new ATOM 0 HB2 GLU B 59 23.018 9.204 -0.488 1.00 0.63 H new ATOM 0 HB3 GLU B 59 23.600 10.286 -1.738 1.00 0.63 H new ATOM 0 HG2 GLU B 59 22.247 12.128 -0.505 1.00 1.06 H new ATOM 0 HG3 GLU B 59 22.166 10.993 0.828 1.00 1.06 H new ATOM 2363 N ALA B 60 21.442 7.700 -2.717 1.00 0.55 N ATOM 2364 CA ALA B 60 21.585 6.690 -3.755 1.00 0.57 C ATOM 2365 C ALA B 60 20.508 6.870 -4.816 1.00 0.56 C ATOM 2366 O ALA B 60 20.768 6.730 -6.009 1.00 0.59 O ATOM 2367 CB ALA B 60 21.517 5.292 -3.156 1.00 0.59 C ATOM 0 H ALA B 60 21.146 7.336 -1.811 1.00 0.55 H new ATOM 0 HA ALA B 60 22.561 6.812 -4.225 1.00 0.57 H new ATOM 0 HB1 ALA B 60 21.626 4.551 -3.948 1.00 0.59 H new ATOM 0 HB2 ALA B 60 22.320 5.168 -2.430 1.00 0.59 H new ATOM 0 HB3 ALA B 60 20.556 5.155 -2.661 1.00 0.59 H new ATOM 2373 N ILE B 61 19.304 7.211 -4.373 1.00 0.52 N ATOM 2374 CA ILE B 61 18.180 7.413 -5.279 1.00 0.52 C ATOM 2375 C ILE B 61 18.407 8.631 -6.169 1.00 0.55 C ATOM 2376 O ILE B 61 18.176 8.576 -7.379 1.00 0.59 O ATOM 2377 CB ILE B 61 16.851 7.592 -4.510 1.00 0.50 C ATOM 2378 CG1 ILE B 61 16.634 6.425 -3.545 1.00 0.51 C ATOM 2379 CG2 ILE B 61 15.683 7.700 -5.483 1.00 0.52 C ATOM 2380 CD1 ILE B 61 15.485 6.636 -2.583 1.00 0.56 C ATOM 0 H ILE B 61 19.081 7.354 -3.388 1.00 0.52 H new ATOM 0 HA ILE B 61 18.111 6.518 -5.897 1.00 0.52 H new ATOM 0 HB ILE B 61 16.906 8.515 -3.933 1.00 0.50 H new ATOM 0 HG12 ILE B 61 16.452 5.518 -4.121 1.00 0.51 H new ATOM 0 HG13 ILE B 61 17.548 6.262 -2.975 1.00 0.51 H new ATOM 0 HG21 ILE B 61 14.755 7.826 -4.925 1.00 0.52 H new ATOM 0 HG22 ILE B 61 15.832 8.559 -6.137 1.00 0.52 H new ATOM 0 HG23 ILE B 61 15.625 6.793 -6.084 1.00 0.52 H new ATOM 0 HD11 ILE B 61 15.392 5.768 -1.931 1.00 0.56 H new ATOM 0 HD12 ILE B 61 15.674 7.524 -1.980 1.00 0.56 H new ATOM 0 HD13 ILE B 61 14.560 6.768 -3.144 1.00 0.56 H new ATOM 2392 N SER B 62 18.885 9.719 -5.576 1.00 0.55 N ATOM 2393 CA SER B 62 19.132 10.948 -6.320 1.00 0.59 C ATOM 2394 C SER B 62 20.328 10.807 -7.261 1.00 0.63 C ATOM 2395 O SER B 62 20.488 11.588 -8.199 1.00 0.70 O ATOM 2396 CB SER B 62 19.358 12.105 -5.344 1.00 0.61 C ATOM 2397 OG SER B 62 19.786 11.624 -4.083 1.00 0.70 O ATOM 0 H SER B 62 19.109 9.775 -4.582 1.00 0.55 H new ATOM 0 HA SER B 62 18.255 11.155 -6.934 1.00 0.59 H new ATOM 0 HB2 SER B 62 20.104 12.788 -5.750 1.00 0.61 H new ATOM 0 HB3 SER B 62 18.435 12.673 -5.227 1.00 0.61 H new ATOM 0 HG SER B 62 20.398 12.272 -3.676 1.00 0.70 H new ATOM 2403 N LYS B 63 21.161 9.806 -7.014 1.00 0.63 N ATOM 2404 CA LYS B 63 22.333 9.578 -7.843 1.00 0.69 C ATOM 2405 C LYS B 63 22.036 8.560 -8.941 1.00 0.71 C ATOM 2406 O LYS B 63 22.454 8.734 -10.084 1.00 0.82 O ATOM 2407 CB LYS B 63 23.512 9.106 -6.983 1.00 0.72 C ATOM 2408 CG LYS B 63 24.874 9.370 -7.611 1.00 0.84 C ATOM 2409 CD LYS B 63 25.027 10.828 -8.023 1.00 1.00 C ATOM 2410 CE LYS B 63 26.441 11.335 -7.786 1.00 1.04 C ATOM 2411 NZ LYS B 63 27.454 10.525 -8.510 1.00 1.28 N ATOM 0 H LYS B 63 21.047 9.142 -6.249 1.00 0.63 H new ATOM 0 HA LYS B 63 22.601 10.522 -8.318 1.00 0.69 H new ATOM 0 HB2 LYS B 63 23.466 9.604 -6.015 1.00 0.72 H new ATOM 0 HB3 LYS B 63 23.409 8.037 -6.797 1.00 0.72 H new ATOM 0 HG2 LYS B 63 25.659 9.107 -6.902 1.00 0.84 H new ATOM 0 HG3 LYS B 63 25.004 8.729 -8.483 1.00 0.84 H new ATOM 0 HD2 LYS B 63 24.774 10.936 -9.078 1.00 1.00 H new ATOM 0 HD3 LYS B 63 24.322 11.441 -7.461 1.00 1.00 H new ATOM 0 HE2 LYS B 63 26.512 12.374 -8.107 1.00 1.04 H new ATOM 0 HE3 LYS B 63 26.658 11.316 -6.718 1.00 1.04 H new ATOM 0 HZ1 LYS B 63 28.385 10.982 -8.432 1.00 1.28 H new ATOM 0 HZ2 LYS B 63 27.500 9.573 -8.093 1.00 1.28 H new ATOM 0 HZ3 LYS B 63 27.188 10.451 -9.513 1.00 1.28 H new ATOM 2425 N ARG B 64 21.314 7.503 -8.594 1.00 0.67 N ATOM 2426 CA ARG B 64 20.984 6.458 -9.560 1.00 0.70 C ATOM 2427 C ARG B 64 19.813 6.868 -10.453 1.00 0.70 C ATOM 2428 O ARG B 64 19.935 6.891 -11.677 1.00 0.75 O ATOM 2429 CB ARG B 64 20.654 5.144 -8.845 1.00 0.70 C ATOM 2430 CG ARG B 64 21.822 4.548 -8.072 1.00 0.72 C ATOM 2431 CD ARG B 64 22.867 3.944 -9.001 1.00 0.81 C ATOM 2432 NE ARG B 64 23.923 4.895 -9.358 1.00 0.84 N ATOM 2433 CZ ARG B 64 24.998 5.139 -8.606 1.00 0.95 C ATOM 2434 NH1 ARG B 64 25.161 4.513 -7.446 1.00 1.05 N ATOM 2435 NH2 ARG B 64 25.916 6.000 -9.029 1.00 1.07 N ATOM 0 H ARG B 64 20.946 7.345 -7.656 1.00 0.67 H new ATOM 0 HA ARG B 64 21.861 6.312 -10.191 1.00 0.70 H new ATOM 0 HB2 ARG B 64 19.826 5.315 -8.157 1.00 0.70 H new ATOM 0 HB3 ARG B 64 20.311 4.418 -9.582 1.00 0.70 H new ATOM 0 HG2 ARG B 64 22.285 5.322 -7.459 1.00 0.72 H new ATOM 0 HG3 ARG B 64 21.453 3.780 -7.392 1.00 0.72 H new ATOM 0 HD2 ARG B 64 23.314 3.074 -8.521 1.00 0.81 H new ATOM 0 HD3 ARG B 64 22.379 3.591 -9.910 1.00 0.81 H new ATOM 0 HE ARG B 64 23.830 5.403 -10.238 1.00 0.84 H new ATOM 0 HH11 ARG B 64 24.463 3.842 -7.126 1.00 1.05 H new ATOM 0 HH12 ARG B 64 25.985 4.703 -6.875 1.00 1.05 H new ATOM 0 HH21 ARG B 64 25.798 6.472 -9.926 1.00 1.07 H new ATOM 0 HH22 ARG B 64 26.739 6.190 -8.457 1.00 1.07 H new ATOM 2449 N PHE B 65 18.680 7.183 -9.835 1.00 0.67 N ATOM 2450 CA PHE B 65 17.489 7.587 -10.578 1.00 0.68 C ATOM 2451 C PHE B 65 17.597 9.045 -11.000 1.00 0.70 C ATOM 2452 O PHE B 65 17.237 9.398 -12.123 1.00 0.75 O ATOM 2453 CB PHE B 65 16.231 7.376 -9.731 1.00 0.66 C ATOM 2454 CG PHE B 65 15.302 6.333 -10.284 1.00 0.68 C ATOM 2455 CD1 PHE B 65 15.675 4.999 -10.311 1.00 0.88 C ATOM 2456 CD2 PHE B 65 14.056 6.685 -10.778 1.00 0.82 C ATOM 2457 CE1 PHE B 65 14.826 4.038 -10.820 1.00 1.02 C ATOM 2458 CE2 PHE B 65 13.200 5.727 -11.289 1.00 0.97 C ATOM 2459 CZ PHE B 65 13.586 4.401 -11.310 1.00 1.00 C ATOM 0 H PHE B 65 18.560 7.167 -8.822 1.00 0.67 H new ATOM 0 HA PHE B 65 17.415 6.967 -11.472 1.00 0.68 H new ATOM 0 HB2 PHE B 65 16.526 7.089 -8.722 1.00 0.66 H new ATOM 0 HB3 PHE B 65 15.695 8.322 -9.650 1.00 0.66 H new ATOM 0 HD1 PHE B 65 16.642 4.708 -9.929 1.00 0.88 H new ATOM 0 HD2 PHE B 65 13.750 7.721 -10.764 1.00 0.82 H new ATOM 0 HE1 PHE B 65 15.131 3.002 -10.835 1.00 1.02 H new ATOM 0 HE2 PHE B 65 12.232 6.015 -11.671 1.00 0.97 H new ATOM 0 HZ PHE B 65 12.920 3.650 -11.708 1.00 1.00 H new ATOM 2469 N LYS B 66 18.095 9.870 -10.080 1.00 0.68 N ATOM 2470 CA LYS B 66 18.287 11.303 -10.306 1.00 0.71 C ATOM 2471 C LYS B 66 16.951 12.037 -10.453 1.00 0.70 C ATOM 2472 O LYS B 66 16.264 11.923 -11.468 1.00 0.83 O ATOM 2473 CB LYS B 66 19.179 11.552 -11.528 1.00 0.79 C ATOM 2474 CG LYS B 66 19.561 13.012 -11.715 1.00 0.93 C ATOM 2475 CD LYS B 66 20.548 13.194 -12.856 1.00 1.05 C ATOM 2476 CE LYS B 66 19.985 12.693 -14.175 1.00 1.07 C ATOM 2477 NZ LYS B 66 20.878 13.006 -15.316 1.00 1.27 N ATOM 0 H LYS B 66 18.379 9.561 -9.150 1.00 0.68 H new ATOM 0 HA LYS B 66 18.789 11.705 -9.426 1.00 0.71 H new ATOM 0 HB2 LYS B 66 20.087 10.957 -11.432 1.00 0.79 H new ATOM 0 HB3 LYS B 66 18.662 11.203 -12.422 1.00 0.79 H new ATOM 0 HG2 LYS B 66 18.665 13.600 -11.912 1.00 0.93 H new ATOM 0 HG3 LYS B 66 19.997 13.395 -10.792 1.00 0.93 H new ATOM 0 HD2 LYS B 66 20.806 14.249 -12.948 1.00 1.05 H new ATOM 0 HD3 LYS B 66 21.470 12.659 -12.628 1.00 1.05 H new ATOM 0 HE2 LYS B 66 19.834 11.615 -14.118 1.00 1.07 H new ATOM 0 HE3 LYS B 66 19.007 13.143 -14.346 1.00 1.07 H new ATOM 0 HZ1 LYS B 66 20.456 12.647 -16.196 1.00 1.27 H new ATOM 0 HZ2 LYS B 66 21.002 14.036 -15.387 1.00 1.27 H new ATOM 0 HZ3 LYS B 66 21.803 12.555 -15.167 1.00 1.27 H new ATOM 2491 N SER B 67 16.601 12.800 -9.428 1.00 0.66 N ATOM 2492 CA SER B 67 15.363 13.560 -9.418 1.00 0.68 C ATOM 2493 C SER B 67 15.454 14.666 -8.371 1.00 0.69 C ATOM 2494 O SER B 67 15.504 15.848 -8.708 1.00 0.90 O ATOM 2495 CB SER B 67 14.168 12.638 -9.127 1.00 0.68 C ATOM 2496 OG SER B 67 13.006 13.055 -9.829 1.00 1.34 O ATOM 0 H SER B 67 17.165 12.909 -8.585 1.00 0.66 H new ATOM 0 HA SER B 67 15.211 14.010 -10.399 1.00 0.68 H new ATOM 0 HB2 SER B 67 14.418 11.616 -9.410 1.00 0.68 H new ATOM 0 HB3 SER B 67 13.965 12.631 -8.056 1.00 0.68 H new ATOM 0 HG SER B 67 12.265 12.448 -9.624 1.00 1.34 H new ATOM 2502 N GLN B 68 15.507 14.267 -7.105 1.00 0.59 N ATOM 2503 CA GLN B 68 15.601 15.204 -5.998 1.00 0.59 C ATOM 2504 C GLN B 68 16.110 14.482 -4.758 1.00 0.54 C ATOM 2505 O GLN B 68 16.229 13.257 -4.755 1.00 0.52 O ATOM 2506 CB GLN B 68 14.238 15.833 -5.703 1.00 0.64 C ATOM 2507 CG GLN B 68 14.065 17.219 -6.294 1.00 0.79 C ATOM 2508 CD GLN B 68 12.649 17.742 -6.167 1.00 0.85 C ATOM 2509 OE1 GLN B 68 11.687 16.975 -6.155 1.00 1.14 O ATOM 2510 NE2 GLN B 68 12.514 19.056 -6.068 1.00 1.09 N ATOM 0 H GLN B 68 15.486 13.288 -6.821 1.00 0.59 H new ATOM 0 HA GLN B 68 16.297 15.997 -6.273 1.00 0.59 H new ATOM 0 HB2 GLN B 68 13.455 15.182 -6.092 1.00 0.64 H new ATOM 0 HB3 GLN B 68 14.099 15.888 -4.623 1.00 0.64 H new ATOM 0 HG2 GLN B 68 14.747 17.908 -5.797 1.00 0.79 H new ATOM 0 HG3 GLN B 68 14.346 17.197 -7.347 1.00 0.79 H new ATOM 0 HE21 GLN B 68 13.339 19.656 -6.082 1.00 1.09 H new ATOM 0 HE22 GLN B 68 11.585 19.468 -5.978 1.00 1.09 H new ATOM 2519 N THR B 69 16.412 15.239 -3.717 1.00 0.56 N ATOM 2520 CA THR B 69 16.895 14.664 -2.471 1.00 0.56 C ATOM 2521 C THR B 69 16.134 15.241 -1.285 1.00 0.54 C ATOM 2522 O THR B 69 15.579 14.509 -0.466 1.00 0.55 O ATOM 2523 CB THR B 69 18.401 14.928 -2.277 1.00 0.63 C ATOM 2524 OG1 THR B 69 19.020 15.186 -3.546 1.00 0.74 O ATOM 2525 CG2 THR B 69 19.080 13.744 -1.603 1.00 0.70 C ATOM 0 H THR B 69 16.331 16.256 -3.709 1.00 0.56 H new ATOM 0 HA THR B 69 16.730 13.588 -2.526 1.00 0.56 H new ATOM 0 HB THR B 69 18.514 15.801 -1.634 1.00 0.63 H new ATOM 0 HG1 THR B 69 19.976 15.355 -3.415 1.00 0.74 H new ATOM 0 HG21 THR B 69 20.142 13.956 -1.478 1.00 0.70 H new ATOM 0 HG22 THR B 69 18.627 13.572 -0.627 1.00 0.70 H new ATOM 0 HG23 THR B 69 18.958 12.854 -2.221 1.00 0.70 H new ATOM 2533 N ASP B 70 16.094 16.562 -1.213 1.00 0.56 N ATOM 2534 CA ASP B 70 15.415 17.248 -0.128 1.00 0.58 C ATOM 2535 C ASP B 70 13.910 17.039 -0.194 1.00 0.55 C ATOM 2536 O ASP B 70 13.287 16.635 0.789 1.00 0.57 O ATOM 2537 CB ASP B 70 15.729 18.743 -0.167 1.00 0.66 C ATOM 2538 CG ASP B 70 14.986 19.511 0.904 1.00 0.76 C ATOM 2539 OD1 ASP B 70 15.043 19.099 2.080 1.00 0.99 O ATOM 2540 OD2 ASP B 70 14.330 20.523 0.571 1.00 0.95 O ATOM 0 H ASP B 70 16.527 17.182 -1.898 1.00 0.56 H new ATOM 0 HA ASP B 70 15.778 16.825 0.809 1.00 0.58 H new ATOM 0 HB2 ASP B 70 16.801 18.891 -0.040 1.00 0.66 H new ATOM 0 HB3 ASP B 70 15.466 19.142 -1.147 1.00 0.66 H new ATOM 2545 N GLN B 71 13.331 17.291 -1.360 1.00 0.56 N ATOM 2546 CA GLN B 71 11.893 17.141 -1.538 1.00 0.58 C ATOM 2547 C GLN B 71 11.494 15.686 -1.771 1.00 0.54 C ATOM 2548 O GLN B 71 10.319 15.386 -1.941 1.00 0.66 O ATOM 2549 CB GLN B 71 11.398 18.016 -2.693 1.00 0.65 C ATOM 2550 CG GLN B 71 11.110 19.452 -2.285 1.00 0.83 C ATOM 2551 CD GLN B 71 10.242 20.181 -3.294 1.00 0.92 C ATOM 2552 OE1 GLN B 71 9.013 20.080 -3.259 1.00 1.13 O ATOM 2553 NE2 GLN B 71 10.867 20.936 -4.184 1.00 1.18 N ATOM 0 H GLN B 71 13.832 17.599 -2.193 1.00 0.56 H new ATOM 0 HA GLN B 71 11.419 17.469 -0.613 1.00 0.58 H new ATOM 0 HB2 GLN B 71 12.146 18.015 -3.486 1.00 0.65 H new ATOM 0 HB3 GLN B 71 10.492 17.576 -3.109 1.00 0.65 H new ATOM 0 HG2 GLN B 71 10.615 19.458 -1.314 1.00 0.83 H new ATOM 0 HG3 GLN B 71 12.052 19.988 -2.166 1.00 0.83 H new ATOM 0 HE21 GLN B 71 11.885 20.993 -4.179 1.00 1.18 H new ATOM 0 HE22 GLN B 71 10.330 21.461 -4.874 1.00 1.18 H new ATOM 2562 N LEU B 72 12.463 14.784 -1.757 1.00 0.51 N ATOM 2563 CA LEU B 72 12.178 13.373 -1.968 1.00 0.49 C ATOM 2564 C LEU B 72 11.822 12.707 -0.643 1.00 0.43 C ATOM 2565 O LEU B 72 12.646 12.639 0.272 1.00 0.51 O ATOM 2566 CB LEU B 72 13.378 12.674 -2.615 1.00 0.57 C ATOM 2567 CG LEU B 72 13.074 11.309 -3.238 1.00 0.72 C ATOM 2568 CD1 LEU B 72 13.795 11.160 -4.568 1.00 0.88 C ATOM 2569 CD2 LEU B 72 13.461 10.183 -2.288 1.00 1.00 C ATOM 0 H LEU B 72 13.448 15.001 -1.603 1.00 0.51 H new ATOM 0 HA LEU B 72 11.327 13.285 -2.643 1.00 0.49 H new ATOM 0 HB2 LEU B 72 13.786 13.326 -3.387 1.00 0.57 H new ATOM 0 HB3 LEU B 72 14.155 12.547 -1.861 1.00 0.57 H new ATOM 0 HG LEU B 72 12.001 11.246 -3.418 1.00 0.72 H new ATOM 0 HD11 LEU B 72 13.568 10.184 -4.997 1.00 0.88 H new ATOM 0 HD12 LEU B 72 13.464 11.943 -5.251 1.00 0.88 H new ATOM 0 HD13 LEU B 72 14.870 11.246 -4.411 1.00 0.88 H new ATOM 0 HD21 LEU B 72 13.236 9.222 -2.752 1.00 1.00 H new ATOM 0 HD22 LEU B 72 14.528 10.240 -2.071 1.00 1.00 H new ATOM 0 HD23 LEU B 72 12.897 10.279 -1.361 1.00 1.00 H new ATOM 2581 N VAL B 73 10.585 12.240 -0.534 1.00 0.37 N ATOM 2582 CA VAL B 73 10.113 11.584 0.680 1.00 0.35 C ATOM 2583 C VAL B 73 9.588 10.187 0.359 1.00 0.30 C ATOM 2584 O VAL B 73 8.863 9.997 -0.619 1.00 0.31 O ATOM 2585 CB VAL B 73 8.995 12.408 1.366 1.00 0.42 C ATOM 2586 CG1 VAL B 73 8.590 11.780 2.690 1.00 0.46 C ATOM 2587 CG2 VAL B 73 9.430 13.851 1.576 1.00 0.55 C ATOM 0 H VAL B 73 9.887 12.304 -1.275 1.00 0.37 H new ATOM 0 HA VAL B 73 10.959 11.508 1.364 1.00 0.35 H new ATOM 0 HB VAL B 73 8.129 12.404 0.704 1.00 0.42 H new ATOM 0 HG11 VAL B 73 7.804 12.378 3.151 1.00 0.46 H new ATOM 0 HG12 VAL B 73 8.222 10.769 2.516 1.00 0.46 H new ATOM 0 HG13 VAL B 73 9.454 11.742 3.354 1.00 0.46 H new ATOM 0 HG21 VAL B 73 8.626 14.407 2.059 1.00 0.55 H new ATOM 0 HG22 VAL B 73 10.318 13.875 2.207 1.00 0.55 H new ATOM 0 HG23 VAL B 73 9.657 14.306 0.612 1.00 0.55 H new ATOM 2597 N LEU B 74 9.962 9.208 1.178 1.00 0.30 N ATOM 2598 CA LEU B 74 9.523 7.836 0.978 1.00 0.29 C ATOM 2599 C LEU B 74 8.235 7.583 1.751 1.00 0.28 C ATOM 2600 O LEU B 74 8.003 8.181 2.801 1.00 0.36 O ATOM 2601 CB LEU B 74 10.609 6.839 1.404 1.00 0.33 C ATOM 2602 CG LEU B 74 11.862 6.798 0.519 1.00 0.42 C ATOM 2603 CD1 LEU B 74 11.504 7.008 -0.944 1.00 0.57 C ATOM 2604 CD2 LEU B 74 12.879 7.833 0.981 1.00 0.64 C ATOM 0 H LEU B 74 10.569 9.343 1.987 1.00 0.30 H new ATOM 0 HA LEU B 74 9.334 7.689 -0.085 1.00 0.29 H new ATOM 0 HB2 LEU B 74 10.914 7.077 2.423 1.00 0.33 H new ATOM 0 HB3 LEU B 74 10.171 5.841 1.427 1.00 0.33 H new ATOM 0 HG LEU B 74 12.312 5.810 0.615 1.00 0.42 H new ATOM 0 HD11 LEU B 74 12.410 6.974 -1.549 1.00 0.57 H new ATOM 0 HD12 LEU B 74 10.822 6.222 -1.268 1.00 0.57 H new ATOM 0 HD13 LEU B 74 11.023 7.979 -1.065 1.00 0.57 H new ATOM 0 HD21 LEU B 74 13.760 7.788 0.341 1.00 0.64 H new ATOM 0 HD22 LEU B 74 12.438 8.828 0.922 1.00 0.64 H new ATOM 0 HD23 LEU B 74 13.168 7.625 2.011 1.00 0.64 H new ATOM 2616 N ILE B 75 7.398 6.703 1.226 1.00 0.29 N ATOM 2617 CA ILE B 75 6.118 6.395 1.846 1.00 0.33 C ATOM 2618 C ILE B 75 6.010 4.919 2.213 1.00 0.31 C ATOM 2619 O ILE B 75 6.347 4.050 1.412 1.00 0.36 O ATOM 2620 CB ILE B 75 4.965 6.773 0.893 1.00 0.43 C ATOM 2621 CG1 ILE B 75 4.953 8.283 0.637 1.00 0.47 C ATOM 2622 CG2 ILE B 75 3.621 6.310 1.430 1.00 0.54 C ATOM 2623 CD1 ILE B 75 5.106 9.123 1.891 1.00 0.74 C ATOM 0 H ILE B 75 7.583 6.186 0.366 1.00 0.29 H new ATOM 0 HA ILE B 75 6.048 6.979 2.764 1.00 0.33 H new ATOM 0 HB ILE B 75 5.136 6.260 -0.053 1.00 0.43 H new ATOM 0 HG12 ILE B 75 5.759 8.530 -0.054 1.00 0.47 H new ATOM 0 HG13 ILE B 75 4.018 8.550 0.145 1.00 0.47 H new ATOM 0 HG21 ILE B 75 2.833 6.594 0.732 1.00 0.54 H new ATOM 0 HG22 ILE B 75 3.630 5.226 1.546 1.00 0.54 H new ATOM 0 HG23 ILE B 75 3.435 6.777 2.397 1.00 0.54 H new ATOM 0 HD11 ILE B 75 5.088 10.180 1.625 1.00 0.74 H new ATOM 0 HD12 ILE B 75 4.286 8.907 2.576 1.00 0.74 H new ATOM 0 HD13 ILE B 75 6.054 8.887 2.374 1.00 0.74 H new ATOM 2635 N PHE B 76 5.514 4.647 3.418 1.00 0.31 N ATOM 2636 CA PHE B 76 5.355 3.282 3.899 1.00 0.35 C ATOM 2637 C PHE B 76 3.867 2.927 4.060 1.00 0.31 C ATOM 2638 O PHE B 76 3.479 2.236 5.001 1.00 0.40 O ATOM 2639 CB PHE B 76 6.111 3.103 5.225 1.00 0.48 C ATOM 2640 CG PHE B 76 6.128 1.685 5.737 1.00 0.55 C ATOM 2641 CD1 PHE B 76 6.573 0.649 4.933 1.00 0.65 C ATOM 2642 CD2 PHE B 76 5.683 1.391 7.018 1.00 0.62 C ATOM 2643 CE1 PHE B 76 6.575 -0.652 5.396 1.00 0.77 C ATOM 2644 CE2 PHE B 76 5.685 0.092 7.487 1.00 0.72 C ATOM 2645 CZ PHE B 76 6.132 -0.931 6.674 1.00 0.78 C ATOM 0 H PHE B 76 5.214 5.362 4.081 1.00 0.31 H new ATOM 0 HA PHE B 76 5.779 2.599 3.162 1.00 0.35 H new ATOM 0 HB2 PHE B 76 7.138 3.443 5.094 1.00 0.48 H new ATOM 0 HB3 PHE B 76 5.657 3.745 5.980 1.00 0.48 H new ATOM 0 HD1 PHE B 76 6.922 0.861 3.933 1.00 0.65 H new ATOM 0 HD2 PHE B 76 5.331 2.188 7.656 1.00 0.62 H new ATOM 0 HE1 PHE B 76 6.923 -1.451 4.759 1.00 0.77 H new ATOM 0 HE2 PHE B 76 5.338 -0.123 8.487 1.00 0.72 H new ATOM 0 HZ PHE B 76 6.135 -1.948 7.037 1.00 0.78 H new ATOM 2655 N ALA B 77 3.039 3.425 3.140 1.00 0.40 N ATOM 2656 CA ALA B 77 1.604 3.146 3.143 1.00 0.48 C ATOM 2657 C ALA B 77 0.925 3.626 4.427 1.00 0.41 C ATOM 2658 O ALA B 77 0.640 2.839 5.329 1.00 0.44 O ATOM 2659 CB ALA B 77 1.357 1.654 2.928 1.00 0.62 C ATOM 0 H ALA B 77 3.343 4.029 2.377 1.00 0.40 H new ATOM 0 HA ALA B 77 1.159 3.704 2.319 1.00 0.48 H new ATOM 0 HB1 ALA B 77 0.285 1.458 2.932 1.00 0.62 H new ATOM 0 HB2 ALA B 77 1.778 1.350 1.969 1.00 0.62 H new ATOM 0 HB3 ALA B 77 1.832 1.087 3.729 1.00 0.62 H new ATOM 2665 N GLY B 78 0.671 4.924 4.505 1.00 0.46 N ATOM 2666 CA GLY B 78 0.020 5.482 5.673 1.00 0.54 C ATOM 2667 C GLY B 78 0.985 6.194 6.594 1.00 0.50 C ATOM 2668 O GLY B 78 0.572 6.911 7.503 1.00 0.63 O ATOM 0 H GLY B 78 0.904 5.602 3.779 1.00 0.46 H new ATOM 0 HA2 GLY B 78 -0.754 6.180 5.354 1.00 0.54 H new ATOM 0 HA3 GLY B 78 -0.478 4.683 6.223 1.00 0.54 H new ATOM 2672 N LYS B 79 2.271 6.019 6.346 1.00 0.42 N ATOM 2673 CA LYS B 79 3.294 6.643 7.163 1.00 0.43 C ATOM 2674 C LYS B 79 4.423 7.162 6.284 1.00 0.39 C ATOM 2675 O LYS B 79 4.748 6.566 5.255 1.00 0.43 O ATOM 2676 CB LYS B 79 3.839 5.639 8.182 1.00 0.50 C ATOM 2677 CG LYS B 79 3.609 6.048 9.629 1.00 0.72 C ATOM 2678 CD LYS B 79 2.161 6.448 9.878 1.00 1.16 C ATOM 2679 CE LYS B 79 1.865 6.564 11.365 1.00 1.57 C ATOM 2680 NZ LYS B 79 0.470 7.013 11.622 1.00 2.02 N ATOM 0 H LYS B 79 2.632 5.447 5.582 1.00 0.42 H new ATOM 0 HA LYS B 79 2.852 7.483 7.699 1.00 0.43 H new ATOM 0 HB2 LYS B 79 3.371 4.670 8.009 1.00 0.50 H new ATOM 0 HB3 LYS B 79 4.909 5.511 8.016 1.00 0.50 H new ATOM 0 HG2 LYS B 79 3.877 5.222 10.288 1.00 0.72 H new ATOM 0 HG3 LYS B 79 4.265 6.881 9.880 1.00 0.72 H new ATOM 0 HD2 LYS B 79 1.956 7.401 9.389 1.00 1.16 H new ATOM 0 HD3 LYS B 79 1.496 5.710 9.430 1.00 1.16 H new ATOM 0 HE2 LYS B 79 2.029 5.599 11.844 1.00 1.57 H new ATOM 0 HE3 LYS B 79 2.562 7.268 11.820 1.00 1.57 H new ATOM 0 HZ1 LYS B 79 0.485 7.932 12.108 1.00 2.02 H new ATOM 0 HZ2 LYS B 79 -0.036 7.108 10.718 1.00 2.02 H new ATOM 0 HZ3 LYS B 79 -0.015 6.313 12.219 1.00 2.02 H new ATOM 2694 N ILE B 80 5.006 8.282 6.685 1.00 0.37 N ATOM 2695 CA ILE B 80 6.101 8.880 5.940 1.00 0.39 C ATOM 2696 C ILE B 80 7.437 8.344 6.433 1.00 0.39 C ATOM 2697 O ILE B 80 7.611 8.076 7.624 1.00 0.61 O ATOM 2698 CB ILE B 80 6.095 10.423 6.053 1.00 0.52 C ATOM 2699 CG1 ILE B 80 5.808 10.861 7.498 1.00 0.67 C ATOM 2700 CG2 ILE B 80 5.070 11.018 5.097 1.00 0.97 C ATOM 2701 CD1 ILE B 80 5.984 12.348 7.732 1.00 1.18 C ATOM 0 H ILE B 80 4.737 8.795 7.525 1.00 0.37 H new ATOM 0 HA ILE B 80 5.962 8.611 4.893 1.00 0.39 H new ATOM 0 HB ILE B 80 7.082 10.794 5.777 1.00 0.52 H new ATOM 0 HG12 ILE B 80 4.787 10.580 7.757 1.00 0.67 H new ATOM 0 HG13 ILE B 80 6.469 10.316 8.171 1.00 0.67 H new ATOM 0 HG21 ILE B 80 5.076 12.104 5.187 1.00 0.97 H new ATOM 0 HG22 ILE B 80 5.320 10.737 4.074 1.00 0.97 H new ATOM 0 HG23 ILE B 80 4.078 10.639 5.345 1.00 0.97 H new ATOM 0 HD11 ILE B 80 5.764 12.581 8.774 1.00 1.18 H new ATOM 0 HD12 ILE B 80 7.011 12.633 7.506 1.00 1.18 H new ATOM 0 HD13 ILE B 80 5.303 12.901 7.085 1.00 1.18 H new ATOM 2713 N LEU B 81 8.360 8.169 5.507 1.00 0.30 N ATOM 2714 CA LEU B 81 9.685 7.669 5.823 1.00 0.34 C ATOM 2715 C LEU B 81 10.729 8.722 5.467 1.00 0.36 C ATOM 2716 O LEU B 81 10.847 9.128 4.305 1.00 0.46 O ATOM 2717 CB LEU B 81 9.941 6.372 5.054 1.00 0.44 C ATOM 2718 CG LEU B 81 10.623 5.258 5.846 1.00 0.57 C ATOM 2719 CD1 LEU B 81 10.107 3.899 5.400 1.00 1.01 C ATOM 2720 CD2 LEU B 81 12.134 5.334 5.686 1.00 0.78 C ATOM 0 H LEU B 81 8.214 8.369 4.517 1.00 0.30 H new ATOM 0 HA LEU B 81 9.753 7.460 6.891 1.00 0.34 H new ATOM 0 HB2 LEU B 81 8.988 5.997 4.682 1.00 0.44 H new ATOM 0 HB3 LEU B 81 10.555 6.602 4.183 1.00 0.44 H new ATOM 0 HG LEU B 81 10.384 5.390 6.901 1.00 0.57 H new ATOM 0 HD11 LEU B 81 10.602 3.116 5.974 1.00 1.01 H new ATOM 0 HD12 LEU B 81 9.031 3.846 5.567 1.00 1.01 H new ATOM 0 HD13 LEU B 81 10.317 3.760 4.339 1.00 1.01 H new ATOM 0 HD21 LEU B 81 12.601 4.532 6.258 1.00 0.78 H new ATOM 0 HD22 LEU B 81 12.394 5.228 4.633 1.00 0.78 H new ATOM 0 HD23 LEU B 81 12.491 6.296 6.053 1.00 0.78 H new ATOM 2732 N LYS B 82 11.468 9.175 6.465 1.00 0.39 N ATOM 2733 CA LYS B 82 12.486 10.193 6.258 1.00 0.47 C ATOM 2734 C LYS B 82 13.786 9.772 6.928 1.00 0.49 C ATOM 2735 O LYS B 82 13.947 8.615 7.307 1.00 0.63 O ATOM 2736 CB LYS B 82 12.013 11.542 6.816 1.00 0.54 C ATOM 2737 CG LYS B 82 10.814 12.120 6.078 1.00 0.94 C ATOM 2738 CD LYS B 82 10.488 13.526 6.554 1.00 1.01 C ATOM 2739 CE LYS B 82 9.232 14.056 5.878 1.00 1.22 C ATOM 2740 NZ LYS B 82 9.018 15.502 6.152 1.00 1.35 N ATOM 0 H LYS B 82 11.382 8.854 7.429 1.00 0.39 H new ATOM 0 HA LYS B 82 12.660 10.303 5.188 1.00 0.47 H new ATOM 0 HB2 LYS B 82 11.757 11.421 7.869 1.00 0.54 H new ATOM 0 HB3 LYS B 82 12.837 12.254 6.768 1.00 0.54 H new ATOM 0 HG2 LYS B 82 11.018 12.136 5.007 1.00 0.94 H new ATOM 0 HG3 LYS B 82 9.948 11.475 6.228 1.00 0.94 H new ATOM 0 HD2 LYS B 82 10.350 13.524 7.635 1.00 1.01 H new ATOM 0 HD3 LYS B 82 11.327 14.189 6.341 1.00 1.01 H new ATOM 0 HE2 LYS B 82 9.306 13.898 4.802 1.00 1.22 H new ATOM 0 HE3 LYS B 82 8.368 13.490 6.225 1.00 1.22 H new ATOM 0 HZ1 LYS B 82 8.152 15.822 5.673 1.00 1.35 H new ATOM 0 HZ2 LYS B 82 8.922 15.651 7.177 1.00 1.35 H new ATOM 0 HZ3 LYS B 82 9.830 16.046 5.798 1.00 1.35 H new ATOM 2754 N ASP B 83 14.712 10.707 7.076 1.00 0.60 N ATOM 2755 CA ASP B 83 15.991 10.407 7.709 1.00 0.68 C ATOM 2756 C ASP B 83 15.859 10.421 9.227 1.00 0.68 C ATOM 2757 O ASP B 83 16.810 10.112 9.945 1.00 0.89 O ATOM 2758 CB ASP B 83 17.068 11.399 7.265 1.00 0.88 C ATOM 2759 CG ASP B 83 16.910 12.769 7.893 1.00 1.20 C ATOM 2760 OD1 ASP B 83 15.886 13.435 7.627 1.00 1.56 O ATOM 2761 OD2 ASP B 83 17.815 13.191 8.643 1.00 1.52 O ATOM 0 H ASP B 83 14.605 11.674 6.769 1.00 0.60 H new ATOM 0 HA ASP B 83 16.292 9.408 7.394 1.00 0.68 H new ATOM 0 HB2 ASP B 83 18.049 10.999 7.521 1.00 0.88 H new ATOM 0 HB3 ASP B 83 17.037 11.498 6.180 1.00 0.88 H new ATOM 2766 N GLN B 84 14.676 10.793 9.702 1.00 0.60 N ATOM 2767 CA GLN B 84 14.393 10.832 11.131 1.00 0.67 C ATOM 2768 C GLN B 84 14.251 9.411 11.657 1.00 0.61 C ATOM 2769 O GLN B 84 14.791 9.057 12.709 1.00 0.81 O ATOM 2770 CB GLN B 84 13.110 11.622 11.401 1.00 0.77 C ATOM 2771 CG GLN B 84 13.167 13.066 10.927 1.00 0.93 C ATOM 2772 CD GLN B 84 11.820 13.764 11.001 1.00 1.13 C ATOM 2773 OE1 GLN B 84 10.996 13.462 11.863 1.00 1.32 O ATOM 2774 NE2 GLN B 84 11.583 14.699 10.094 1.00 1.28 N ATOM 0 H GLN B 84 13.892 11.074 9.113 1.00 0.60 H new ATOM 0 HA GLN B 84 15.217 11.329 11.643 1.00 0.67 H new ATOM 0 HB2 GLN B 84 12.276 11.121 10.910 1.00 0.77 H new ATOM 0 HB3 GLN B 84 12.905 11.609 12.471 1.00 0.77 H new ATOM 0 HG2 GLN B 84 13.889 13.614 11.533 1.00 0.93 H new ATOM 0 HG3 GLN B 84 13.528 13.092 9.899 1.00 0.93 H new ATOM 0 HE21 GLN B 84 12.291 14.922 9.394 1.00 1.28 H new ATOM 0 HE22 GLN B 84 10.692 15.196 10.095 1.00 1.28 H new ATOM 2783 N ASP B 85 13.514 8.600 10.912 1.00 0.52 N ATOM 2784 CA ASP B 85 13.315 7.205 11.261 1.00 0.51 C ATOM 2785 C ASP B 85 14.342 6.361 10.513 1.00 0.44 C ATOM 2786 O ASP B 85 15.416 6.859 10.177 1.00 0.48 O ATOM 2787 CB ASP B 85 11.884 6.752 10.934 1.00 0.61 C ATOM 2788 CG ASP B 85 11.482 7.009 9.493 1.00 0.68 C ATOM 2789 OD1 ASP B 85 11.408 8.196 9.091 1.00 0.76 O ATOM 2790 OD2 ASP B 85 11.207 6.029 8.773 1.00 0.86 O ATOM 0 H ASP B 85 13.041 8.889 10.056 1.00 0.52 H new ATOM 0 HA ASP B 85 13.453 7.077 12.335 1.00 0.51 H new ATOM 0 HB2 ASP B 85 11.792 5.686 11.144 1.00 0.61 H new ATOM 0 HB3 ASP B 85 11.188 7.269 11.595 1.00 0.61 H new ATOM 2795 N THR B 86 14.049 5.095 10.268 1.00 0.49 N ATOM 2796 CA THR B 86 14.987 4.241 9.556 1.00 0.47 C ATOM 2797 C THR B 86 14.264 3.147 8.768 1.00 0.42 C ATOM 2798 O THR B 86 13.358 2.481 9.279 1.00 0.41 O ATOM 2799 CB THR B 86 16.013 3.602 10.517 1.00 0.54 C ATOM 2800 OG1 THR B 86 16.525 4.589 11.424 1.00 0.67 O ATOM 2801 CG2 THR B 86 17.171 2.992 9.742 1.00 0.67 C ATOM 0 H THR B 86 13.180 4.639 10.547 1.00 0.49 H new ATOM 0 HA THR B 86 15.521 4.880 8.853 1.00 0.47 H new ATOM 0 HB THR B 86 15.505 2.817 11.077 1.00 0.54 H new ATOM 0 HG1 THR B 86 17.173 4.172 12.029 1.00 0.67 H new ATOM 0 HG21 THR B 86 17.881 2.548 10.439 1.00 0.67 H new ATOM 0 HG22 THR B 86 16.793 2.222 9.069 1.00 0.67 H new ATOM 0 HG23 THR B 86 17.669 3.768 9.162 1.00 0.67 H new ATOM 2809 N LEU B 87 14.693 2.967 7.522 1.00 0.43 N ATOM 2810 CA LEU B 87 14.118 1.973 6.622 1.00 0.42 C ATOM 2811 C LEU B 87 14.273 0.560 7.178 1.00 0.42 C ATOM 2812 O LEU B 87 13.378 -0.267 7.040 1.00 0.44 O ATOM 2813 CB LEU B 87 14.796 2.068 5.253 1.00 0.51 C ATOM 2814 CG LEU B 87 14.090 1.330 4.116 1.00 0.52 C ATOM 2815 CD1 LEU B 87 12.922 2.151 3.594 1.00 0.61 C ATOM 2816 CD2 LEU B 87 15.071 1.015 2.998 1.00 0.66 C ATOM 0 H LEU B 87 15.452 3.508 7.107 1.00 0.43 H new ATOM 0 HA LEU B 87 13.052 2.180 6.524 1.00 0.42 H new ATOM 0 HB2 LEU B 87 14.882 3.120 4.982 1.00 0.51 H new ATOM 0 HB3 LEU B 87 15.810 1.678 5.341 1.00 0.51 H new ATOM 0 HG LEU B 87 13.699 0.389 4.502 1.00 0.52 H new ATOM 0 HD11 LEU B 87 12.430 1.611 2.785 1.00 0.61 H new ATOM 0 HD12 LEU B 87 12.209 2.324 4.401 1.00 0.61 H new ATOM 0 HD13 LEU B 87 13.288 3.108 3.222 1.00 0.61 H new ATOM 0 HD21 LEU B 87 14.552 0.489 2.196 1.00 0.66 H new ATOM 0 HD22 LEU B 87 15.492 1.943 2.611 1.00 0.66 H new ATOM 0 HD23 LEU B 87 15.873 0.386 3.384 1.00 0.66 H new ATOM 2828 N ILE B 88 15.400 0.299 7.826 1.00 0.47 N ATOM 2829 CA ILE B 88 15.670 -1.023 8.390 1.00 0.53 C ATOM 2830 C ILE B 88 15.087 -1.170 9.794 1.00 0.54 C ATOM 2831 O ILE B 88 15.346 -2.157 10.483 1.00 0.66 O ATOM 2832 CB ILE B 88 17.185 -1.314 8.448 1.00 0.62 C ATOM 2833 CG1 ILE B 88 17.880 -0.338 9.401 1.00 0.65 C ATOM 2834 CG2 ILE B 88 17.792 -1.219 7.056 1.00 0.67 C ATOM 2835 CD1 ILE B 88 19.032 -0.951 10.165 1.00 0.91 C ATOM 0 H ILE B 88 16.143 0.982 7.976 1.00 0.47 H new ATOM 0 HA ILE B 88 15.188 -1.742 7.727 1.00 0.53 H new ATOM 0 HB ILE B 88 17.331 -2.327 8.824 1.00 0.62 H new ATOM 0 HG12 ILE B 88 18.247 0.515 8.830 1.00 0.65 H new ATOM 0 HG13 ILE B 88 17.148 0.046 10.111 1.00 0.65 H new ATOM 0 HG21 ILE B 88 18.861 -1.426 7.110 1.00 0.67 H new ATOM 0 HG22 ILE B 88 17.314 -1.947 6.400 1.00 0.67 H new ATOM 0 HG23 ILE B 88 17.637 -0.216 6.659 1.00 0.67 H new ATOM 0 HD11 ILE B 88 19.475 -0.200 10.819 1.00 0.91 H new ATOM 0 HD12 ILE B 88 18.668 -1.786 10.764 1.00 0.91 H new ATOM 0 HD13 ILE B 88 19.785 -1.310 9.463 1.00 0.91 H new ATOM 2847 N GLN B 89 14.305 -0.185 10.221 1.00 0.48 N ATOM 2848 CA GLN B 89 13.706 -0.222 11.545 1.00 0.53 C ATOM 2849 C GLN B 89 12.215 -0.516 11.457 1.00 0.52 C ATOM 2850 O GLN B 89 11.723 -1.444 12.096 1.00 0.71 O ATOM 2851 CB GLN B 89 13.938 1.105 12.272 1.00 0.57 C ATOM 2852 CG GLN B 89 13.516 1.089 13.732 1.00 0.69 C ATOM 2853 CD GLN B 89 14.419 0.225 14.587 1.00 0.82 C ATOM 2854 OE1 GLN B 89 15.430 0.692 15.110 1.00 0.96 O ATOM 2855 NE2 GLN B 89 14.065 -1.042 14.732 1.00 0.89 N ATOM 0 H GLN B 89 14.073 0.643 9.672 1.00 0.48 H new ATOM 0 HA GLN B 89 14.182 -1.023 12.110 1.00 0.53 H new ATOM 0 HB2 GLN B 89 14.996 1.361 12.212 1.00 0.57 H new ATOM 0 HB3 GLN B 89 13.390 1.892 11.754 1.00 0.57 H new ATOM 0 HG2 GLN B 89 13.520 2.108 14.119 1.00 0.69 H new ATOM 0 HG3 GLN B 89 12.492 0.724 13.807 1.00 0.69 H new ATOM 0 HE21 GLN B 89 13.219 -1.390 14.281 1.00 0.89 H new ATOM 0 HE22 GLN B 89 14.639 -1.671 15.294 1.00 0.89 H new ATOM 2864 N HIS B 90 11.497 0.271 10.669 1.00 0.49 N ATOM 2865 CA HIS B 90 10.058 0.085 10.528 1.00 0.51 C ATOM 2866 C HIS B 90 9.644 0.015 9.066 1.00 0.50 C ATOM 2867 O HIS B 90 8.532 -0.401 8.752 1.00 0.75 O ATOM 2868 CB HIS B 90 9.312 1.232 11.219 1.00 0.59 C ATOM 2869 CG HIS B 90 7.834 1.015 11.341 1.00 0.72 C ATOM 2870 ND1 HIS B 90 6.906 1.708 10.592 1.00 0.96 N ATOM 2871 CD2 HIS B 90 7.125 0.188 12.141 1.00 0.92 C ATOM 2872 CE1 HIS B 90 5.692 1.318 10.931 1.00 1.14 C ATOM 2873 NE2 HIS B 90 5.799 0.396 11.867 1.00 1.10 N ATOM 0 H HIS B 90 11.883 1.040 10.120 1.00 0.49 H new ATOM 0 HA HIS B 90 9.797 -0.862 11.000 1.00 0.51 H new ATOM 0 HB2 HIS B 90 9.731 1.376 12.215 1.00 0.59 H new ATOM 0 HB3 HIS B 90 9.489 2.153 10.663 1.00 0.59 H new ATOM 0 HD2 HIS B 90 7.529 -0.507 12.862 1.00 0.92 H new ATOM 0 HE1 HIS B 90 4.768 1.691 10.513 1.00 1.14 H new ATOM 0 HE2 HIS B 90 5.019 -0.085 12.315 1.00 1.10 H new ATOM 2882 N GLY B 91 10.543 0.406 8.178 1.00 0.45 N ATOM 2883 CA GLY B 91 10.234 0.404 6.762 1.00 0.46 C ATOM 2884 C GLY B 91 10.254 -0.982 6.157 1.00 0.45 C ATOM 2885 O GLY B 91 9.369 -1.799 6.415 1.00 0.64 O ATOM 0 H GLY B 91 11.483 0.726 8.411 1.00 0.45 H new ATOM 0 HA2 GLY B 91 9.250 0.847 6.609 1.00 0.46 H new ATOM 0 HA3 GLY B 91 10.952 1.034 6.238 1.00 0.46 H new ATOM 2889 N ILE B 92 11.280 -1.256 5.371 1.00 0.38 N ATOM 2890 CA ILE B 92 11.416 -2.541 4.707 1.00 0.39 C ATOM 2891 C ILE B 92 11.797 -3.631 5.700 1.00 0.41 C ATOM 2892 O ILE B 92 12.954 -3.743 6.108 1.00 0.46 O ATOM 2893 CB ILE B 92 12.468 -2.481 3.576 1.00 0.41 C ATOM 2894 CG1 ILE B 92 12.164 -1.316 2.626 1.00 0.40 C ATOM 2895 CG2 ILE B 92 12.520 -3.803 2.813 1.00 0.47 C ATOM 2896 CD1 ILE B 92 10.827 -1.422 1.925 1.00 0.43 C ATOM 0 H ILE B 92 12.037 -0.600 5.176 1.00 0.38 H new ATOM 0 HA ILE B 92 10.447 -2.781 4.270 1.00 0.39 H new ATOM 0 HB ILE B 92 13.447 -2.313 4.025 1.00 0.41 H new ATOM 0 HG12 ILE B 92 12.193 -0.384 3.191 1.00 0.40 H new ATOM 0 HG13 ILE B 92 12.952 -1.259 1.875 1.00 0.40 H new ATOM 0 HG21 ILE B 92 13.267 -3.737 2.022 1.00 0.47 H new ATOM 0 HG22 ILE B 92 12.786 -4.608 3.498 1.00 0.47 H new ATOM 0 HG23 ILE B 92 11.544 -4.008 2.374 1.00 0.47 H new ATOM 0 HD11 ILE B 92 10.689 -0.560 1.272 1.00 0.43 H new ATOM 0 HD12 ILE B 92 10.799 -2.335 1.331 1.00 0.43 H new ATOM 0 HD13 ILE B 92 10.028 -1.447 2.666 1.00 0.43 H new ATOM 2908 N HIS B 93 10.806 -4.411 6.109 1.00 0.46 N ATOM 2909 CA HIS B 93 11.026 -5.508 7.041 1.00 0.52 C ATOM 2910 C HIS B 93 11.685 -6.671 6.313 1.00 0.54 C ATOM 2911 O HIS B 93 12.752 -7.145 6.705 1.00 0.66 O ATOM 2912 CB HIS B 93 9.698 -5.948 7.657 1.00 0.58 C ATOM 2913 CG HIS B 93 9.575 -5.639 9.117 1.00 0.65 C ATOM 2914 ND1 HIS B 93 10.124 -4.516 9.707 1.00 1.25 N ATOM 2915 CD2 HIS B 93 8.961 -6.319 10.112 1.00 1.25 C ATOM 2916 CE1 HIS B 93 9.849 -4.524 10.999 1.00 1.14 C ATOM 2917 NE2 HIS B 93 9.147 -5.608 11.267 1.00 1.10 N ATOM 0 H HIS B 93 9.837 -4.303 5.808 1.00 0.46 H new ATOM 0 HA HIS B 93 11.684 -5.173 7.843 1.00 0.52 H new ATOM 0 HB2 HIS B 93 8.882 -5.462 7.123 1.00 0.58 H new ATOM 0 HB3 HIS B 93 9.579 -7.022 7.511 1.00 0.58 H new ATOM 0 HD2 HIS B 93 8.423 -7.251 10.014 1.00 1.25 H new ATOM 0 HE1 HIS B 93 10.148 -3.772 11.714 1.00 1.14 H new ATOM 0 HE2 HIS B 93 8.798 -5.874 12.188 1.00 1.10 H new ATOM 2926 N ASP B 94 11.039 -7.115 5.242 1.00 0.58 N ATOM 2927 CA ASP B 94 11.541 -8.209 4.425 1.00 0.63 C ATOM 2928 C ASP B 94 10.913 -8.139 3.038 1.00 0.78 C ATOM 2929 O ASP B 94 9.775 -8.568 2.847 1.00 1.65 O ATOM 2930 CB ASP B 94 11.229 -9.559 5.077 1.00 0.67 C ATOM 2931 CG ASP B 94 11.774 -10.727 4.281 1.00 0.79 C ATOM 2932 OD1 ASP B 94 13.010 -10.918 4.272 1.00 0.92 O ATOM 2933 OD2 ASP B 94 10.969 -11.470 3.672 1.00 1.08 O ATOM 0 H ASP B 94 10.154 -6.726 4.917 1.00 0.58 H new ATOM 0 HA ASP B 94 12.623 -8.115 4.338 1.00 0.63 H new ATOM 0 HB2 ASP B 94 11.651 -9.580 6.082 1.00 0.67 H new ATOM 0 HB3 ASP B 94 10.150 -9.667 5.182 1.00 0.67 H new ATOM 2938 N GLY B 95 11.645 -7.558 2.092 1.00 0.57 N ATOM 2939 CA GLY B 95 11.157 -7.430 0.727 1.00 0.52 C ATOM 2940 C GLY B 95 9.823 -6.709 0.644 1.00 0.46 C ATOM 2941 O GLY B 95 8.801 -7.314 0.329 1.00 0.53 O ATOM 0 H GLY B 95 12.575 -7.170 2.247 1.00 0.57 H new ATOM 0 HA2 GLY B 95 11.894 -6.891 0.132 1.00 0.52 H new ATOM 0 HA3 GLY B 95 11.056 -8.422 0.287 1.00 0.52 H new ATOM 2945 N LEU B 96 9.831 -5.412 0.913 1.00 0.41 N ATOM 2946 CA LEU B 96 8.603 -4.625 0.881 1.00 0.40 C ATOM 2947 C LEU B 96 8.651 -3.566 -0.214 1.00 0.37 C ATOM 2948 O LEU B 96 9.666 -3.400 -0.890 1.00 0.41 O ATOM 2949 CB LEU B 96 8.353 -3.962 2.237 1.00 0.44 C ATOM 2950 CG LEU B 96 7.858 -4.898 3.342 1.00 0.53 C ATOM 2951 CD1 LEU B 96 7.626 -4.124 4.630 1.00 0.58 C ATOM 2952 CD2 LEU B 96 6.580 -5.607 2.913 1.00 0.70 C ATOM 0 H LEU B 96 10.669 -4.882 1.155 1.00 0.41 H new ATOM 0 HA LEU B 96 7.781 -5.307 0.661 1.00 0.40 H new ATOM 0 HB2 LEU B 96 9.279 -3.492 2.569 1.00 0.44 H new ATOM 0 HB3 LEU B 96 7.621 -3.165 2.104 1.00 0.44 H new ATOM 0 HG LEU B 96 8.626 -5.651 3.522 1.00 0.53 H new ATOM 0 HD11 LEU B 96 7.274 -4.805 5.405 1.00 0.58 H new ATOM 0 HD12 LEU B 96 8.560 -3.661 4.950 1.00 0.58 H new ATOM 0 HD13 LEU B 96 6.877 -3.350 4.460 1.00 0.58 H new ATOM 0 HD21 LEU B 96 6.245 -6.268 3.712 1.00 0.70 H new ATOM 0 HD22 LEU B 96 5.806 -4.868 2.704 1.00 0.70 H new ATOM 0 HD23 LEU B 96 6.773 -6.193 2.015 1.00 0.70 H new ATOM 2964 N THR B 97 7.551 -2.850 -0.372 1.00 0.39 N ATOM 2965 CA THR B 97 7.443 -1.816 -1.385 1.00 0.39 C ATOM 2966 C THR B 97 7.138 -0.457 -0.749 1.00 0.37 C ATOM 2967 O THR B 97 6.411 -0.380 0.241 1.00 0.46 O ATOM 2968 CB THR B 97 6.335 -2.178 -2.395 1.00 0.46 C ATOM 2969 OG1 THR B 97 6.554 -3.500 -2.910 1.00 0.83 O ATOM 2970 CG2 THR B 97 6.286 -1.190 -3.549 1.00 0.78 C ATOM 0 H THR B 97 6.712 -2.969 0.196 1.00 0.39 H new ATOM 0 HA THR B 97 8.399 -1.749 -1.905 1.00 0.39 H new ATOM 0 HB THR B 97 5.381 -2.137 -1.868 1.00 0.46 H new ATOM 0 HG1 THR B 97 5.846 -3.723 -3.549 1.00 0.83 H new ATOM 0 HG21 THR B 97 5.494 -1.477 -4.240 1.00 0.78 H new ATOM 0 HG22 THR B 97 6.087 -0.190 -3.164 1.00 0.78 H new ATOM 0 HG23 THR B 97 7.242 -1.193 -4.072 1.00 0.78 H new ATOM 2978 N VAL B 98 7.718 0.599 -1.305 1.00 0.33 N ATOM 2979 CA VAL B 98 7.502 1.950 -0.806 1.00 0.31 C ATOM 2980 C VAL B 98 7.111 2.884 -1.945 1.00 0.30 C ATOM 2981 O VAL B 98 7.286 2.554 -3.119 1.00 0.36 O ATOM 2982 CB VAL B 98 8.756 2.512 -0.099 1.00 0.31 C ATOM 2983 CG1 VAL B 98 8.959 1.846 1.254 1.00 0.37 C ATOM 2984 CG2 VAL B 98 9.993 2.338 -0.969 1.00 0.34 C ATOM 0 H VAL B 98 8.346 0.544 -2.107 1.00 0.33 H new ATOM 0 HA VAL B 98 6.693 1.894 -0.078 1.00 0.31 H new ATOM 0 HB VAL B 98 8.599 3.578 0.064 1.00 0.31 H new ATOM 0 HG11 VAL B 98 9.848 2.258 1.733 1.00 0.37 H new ATOM 0 HG12 VAL B 98 8.089 2.030 1.884 1.00 0.37 H new ATOM 0 HG13 VAL B 98 9.086 0.772 1.116 1.00 0.37 H new ATOM 0 HG21 VAL B 98 10.863 2.741 -0.450 1.00 0.34 H new ATOM 0 HG22 VAL B 98 10.150 1.278 -1.171 1.00 0.34 H new ATOM 0 HG23 VAL B 98 9.854 2.870 -1.910 1.00 0.34 H new ATOM 2994 N HIS B 99 6.572 4.044 -1.602 1.00 0.29 N ATOM 2995 CA HIS B 99 6.161 5.023 -2.601 1.00 0.31 C ATOM 2996 C HIS B 99 7.067 6.243 -2.535 1.00 0.30 C ATOM 2997 O HIS B 99 7.586 6.571 -1.472 1.00 0.47 O ATOM 2998 CB HIS B 99 4.706 5.442 -2.364 1.00 0.38 C ATOM 2999 CG HIS B 99 3.887 5.566 -3.610 1.00 0.47 C ATOM 3000 ND1 HIS B 99 2.839 4.724 -3.898 1.00 0.68 N ATOM 3001 CD2 HIS B 99 3.940 6.460 -4.628 1.00 0.71 C ATOM 3002 CE1 HIS B 99 2.285 5.088 -5.035 1.00 0.81 C ATOM 3003 NE2 HIS B 99 2.931 6.138 -5.496 1.00 0.81 N ATOM 0 H HIS B 99 6.408 4.332 -0.637 1.00 0.29 H new ATOM 0 HA HIS B 99 6.241 4.571 -3.590 1.00 0.31 H new ATOM 0 HB2 HIS B 99 4.234 4.714 -1.705 1.00 0.38 H new ATOM 0 HB3 HIS B 99 4.697 6.398 -1.841 1.00 0.38 H new ATOM 0 HD1 HIS B 99 2.538 3.939 -3.320 1.00 0.68 H new ATOM 0 HD2 HIS B 99 4.644 7.272 -4.734 1.00 0.71 H new ATOM 0 HE1 HIS B 99 1.443 4.607 -5.510 1.00 0.81 H new ATOM 3012 N LEU B 100 7.264 6.902 -3.665 1.00 0.31 N ATOM 3013 CA LEU B 100 8.103 8.089 -3.714 1.00 0.32 C ATOM 3014 C LEU B 100 7.256 9.331 -3.977 1.00 0.32 C ATOM 3015 O LEU B 100 6.595 9.436 -5.013 1.00 0.40 O ATOM 3016 CB LEU B 100 9.169 7.932 -4.803 1.00 0.37 C ATOM 3017 CG LEU B 100 10.330 8.928 -4.738 1.00 0.50 C ATOM 3018 CD1 LEU B 100 11.631 8.246 -5.144 1.00 0.85 C ATOM 3019 CD2 LEU B 100 10.057 10.128 -5.635 1.00 0.91 C ATOM 0 H LEU B 100 6.855 6.636 -4.561 1.00 0.31 H new ATOM 0 HA LEU B 100 8.598 8.208 -2.750 1.00 0.32 H new ATOM 0 HB2 LEU B 100 9.576 6.922 -4.746 1.00 0.37 H new ATOM 0 HB3 LEU B 100 8.686 8.026 -5.776 1.00 0.37 H new ATOM 0 HG LEU B 100 10.426 9.282 -3.712 1.00 0.50 H new ATOM 0 HD11 LEU B 100 12.449 8.964 -5.094 1.00 0.85 H new ATOM 0 HD12 LEU B 100 11.834 7.417 -4.466 1.00 0.85 H new ATOM 0 HD13 LEU B 100 11.541 7.869 -6.163 1.00 0.85 H new ATOM 0 HD21 LEU B 100 10.893 10.825 -5.575 1.00 0.91 H new ATOM 0 HD22 LEU B 100 9.937 9.792 -6.665 1.00 0.91 H new ATOM 0 HD23 LEU B 100 9.145 10.627 -5.307 1.00 0.91 H new ATOM 3031 N VAL B 101 7.269 10.263 -3.031 1.00 0.30 N ATOM 3032 CA VAL B 101 6.504 11.500 -3.159 1.00 0.32 C ATOM 3033 C VAL B 101 7.415 12.716 -2.992 1.00 0.33 C ATOM 3034 O VAL B 101 8.578 12.578 -2.609 1.00 0.38 O ATOM 3035 CB VAL B 101 5.350 11.580 -2.128 1.00 0.39 C ATOM 3036 CG1 VAL B 101 4.365 10.434 -2.330 1.00 0.50 C ATOM 3037 CG2 VAL B 101 5.895 11.592 -0.704 1.00 0.52 C ATOM 0 H VAL B 101 7.802 10.186 -2.165 1.00 0.30 H new ATOM 0 HA VAL B 101 6.069 11.500 -4.158 1.00 0.32 H new ATOM 0 HB VAL B 101 4.814 12.515 -2.288 1.00 0.39 H new ATOM 0 HG11 VAL B 101 3.563 10.510 -1.596 1.00 0.50 H new ATOM 0 HG12 VAL B 101 3.944 10.489 -3.334 1.00 0.50 H new ATOM 0 HG13 VAL B 101 4.883 9.483 -2.205 1.00 0.50 H new ATOM 0 HG21 VAL B 101 5.067 11.649 0.002 1.00 0.52 H new ATOM 0 HG22 VAL B 101 6.463 10.679 -0.524 1.00 0.52 H new ATOM 0 HG23 VAL B 101 6.545 12.457 -0.571 1.00 0.52 H new ATOM 3047 N ILE B 102 6.884 13.900 -3.279 1.00 0.36 N ATOM 3048 CA ILE B 102 7.656 15.134 -3.159 1.00 0.41 C ATOM 3049 C ILE B 102 6.913 16.166 -2.312 1.00 0.51 C ATOM 3050 O ILE B 102 6.650 17.284 -2.756 1.00 0.79 O ATOM 3051 CB ILE B 102 7.996 15.751 -4.541 1.00 0.52 C ATOM 3052 CG1 ILE B 102 6.743 15.842 -5.441 1.00 0.71 C ATOM 3053 CG2 ILE B 102 9.111 14.960 -5.214 1.00 0.76 C ATOM 3054 CD1 ILE B 102 6.530 14.649 -6.355 1.00 1.32 C ATOM 0 H ILE B 102 5.924 14.032 -3.596 1.00 0.36 H new ATOM 0 HA ILE B 102 8.591 14.866 -2.667 1.00 0.41 H new ATOM 0 HB ILE B 102 8.350 16.770 -4.383 1.00 0.52 H new ATOM 0 HG12 ILE B 102 5.864 15.958 -4.806 1.00 0.71 H new ATOM 0 HG13 ILE B 102 6.816 16.742 -6.052 1.00 0.71 H new ATOM 0 HG21 ILE B 102 9.339 15.405 -6.183 1.00 0.76 H new ATOM 0 HG22 ILE B 102 10.002 14.981 -4.586 1.00 0.76 H new ATOM 0 HG23 ILE B 102 8.791 13.928 -5.355 1.00 0.76 H new ATOM 0 HD11 ILE B 102 5.628 14.801 -6.948 1.00 1.32 H new ATOM 0 HD12 ILE B 102 7.387 14.542 -7.019 1.00 1.32 H new ATOM 0 HD13 ILE B 102 6.421 13.746 -5.755 1.00 1.32 H new ATOM 3066 N LYS B 103 6.579 15.787 -1.087 1.00 0.59 N ATOM 3067 CA LYS B 103 5.863 16.678 -0.187 1.00 0.76 C ATOM 3068 C LYS B 103 6.736 17.063 0.995 1.00 0.91 C ATOM 3069 O LYS B 103 6.732 16.331 2.008 1.00 1.07 O ATOM 3070 CB LYS B 103 4.565 16.028 0.304 1.00 0.86 C ATOM 3071 CG LYS B 103 3.547 15.792 -0.804 1.00 1.00 C ATOM 3072 CD LYS B 103 3.111 17.100 -1.443 1.00 1.15 C ATOM 3073 CE LYS B 103 2.273 16.866 -2.686 1.00 1.32 C ATOM 3074 NZ LYS B 103 2.043 18.126 -3.439 1.00 1.74 N ATOM 3075 OXT LYS B 103 7.424 18.099 0.910 1.00 1.20 O ATOM 0 H LYS B 103 6.792 14.870 -0.694 1.00 0.59 H new ATOM 0 HA LYS B 103 5.609 17.582 -0.741 1.00 0.76 H new ATOM 0 HB2 LYS B 103 4.802 15.075 0.778 1.00 0.86 H new ATOM 0 HB3 LYS B 103 4.117 16.662 1.069 1.00 0.86 H new ATOM 0 HG2 LYS B 103 3.978 15.140 -1.564 1.00 1.00 H new ATOM 0 HG3 LYS B 103 2.677 15.276 -0.397 1.00 1.00 H new ATOM 0 HD2 LYS B 103 2.538 17.684 -0.723 1.00 1.15 H new ATOM 0 HD3 LYS B 103 3.991 17.689 -1.703 1.00 1.15 H new ATOM 0 HE2 LYS B 103 2.772 16.143 -3.331 1.00 1.32 H new ATOM 0 HE3 LYS B 103 1.314 16.432 -2.402 1.00 1.32 H new ATOM 0 HZ1 LYS B 103 1.467 17.927 -4.282 1.00 1.74 H new ATOM 0 HZ2 LYS B 103 1.544 18.807 -2.832 1.00 1.74 H new ATOM 0 HZ3 LYS B 103 2.957 18.527 -3.731 1.00 1.74 H new