USER MOD reduce.3.24.130724 H: found=0, std=0, add=1554, rem=0, adj=41 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= -0.158 K(o=-0.19,f=-1.5!) USER MOD Set 1.2: B 71 GLN : amide:sc= -0.0322 X(o=-0.19,f=-0.12) USER MOD Set 2.1: A 88 CYS SG : rot -99:sc= 0.0356 USER MOD Set 2.2: A 90 SER OG : rot 180:sc= 1.08 USER MOD Set 3.1: A 66 SER OG : rot -77:sc= 1.43 USER MOD Set 3.2: A 68 ASN : amide:sc= -0.681 X(o=0.75,f=1.1) USER MOD Set 4.1: A 52 THR OG1 : rot 100:sc= 1.3 USER MOD Set 4.2: A 58 HIS : no HE2:sc= 1.04 K(o=2.3,f=-4!) USER MOD Set 5.1: A 48 TYR OH : rot 101:sc= 0.003 USER MOD Set 5.2: A 60 CYS SG : rot -75:sc= 0.64 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+ 129:sc= 2.35 (180deg=0.812) USER MOD Single : A 31 MET CE :methyl 180:sc= 0 (180deg=0) 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 -49:sc= 0.334 USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot -140:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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=-0.87) USER MOD Single : A 51 GLN : amide:sc= 0.686 K(o=0.69,f=-0.68) 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 97:sc= 1.26 USER MOD Single : A 80 CYS SG : rot -49:sc= -5.48! USER MOD Single : A 83 LYS NZ :NH3+ 147:sc= 1.23 (180deg=1.06) USER MOD Single : A 87 GLN : amide:sc= -0.104 X(o=-0.1,f=-0.11) USER MOD Single : A 94 TYR OH : rot -152:sc= 1.11 USER MOD Single : A 97 LYS NZ :NH3+ -167:sc=-0.00875 (180deg=-0.158) USER MOD Single : A 99 LYS NZ :NH3+ 171:sc= 1.31 (180deg=1.14) USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 103 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.109) USER MOD Single : A 109 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 110 GLN : amide:sc= -1.41! C(o=-1.4!,f=-5.4!) USER MOD Single : A 113 LYS NZ :NH3+ -162:sc= -0.0116 (180deg=-0.17) USER MOD Single : A 114 THR OG1 : rot 180:sc= 0.0746 USER MOD Single : A 116 GLN : amide:sc= -0.152 X(o=-0.15,f=-0.068) USER MOD Single : A 120 HIS : no HD1:sc= -0.35 X(o=-0.35,f=-0.47) USER MOD Single : A 121 CYS SG : rot 50:sc= 0.887 USER MOD Single : A 123 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 125 ASN : amide:sc= -0.89! C(o=-0.89!,f=-5.1!) USER MOD Single : A 127 TYR OH : rot 180:sc= 0 USER MOD Single : A 129 ASN : amide:sc= 2.03 K(o=2,f=-3.2!) USER MOD Single : A 130 ASN : amide:sc= -0.156 K(o=-0.16,f=-0.98) USER MOD Single : B 31 LYS NZ :NH3+ 168:sc= -0.0129 (180deg=-0.17) USER MOD Single : B 34 LYS NZ :NH3+ 159:sc= 1 (180deg=-0.595) USER MOD Single : B 36 THR OG1 : rot 180:sc= 0 USER MOD Single : B 38 LYS NZ :NH3+ -117:sc= 1.33 (180deg=-0.37) USER MOD Single : B 39 THR OG1 : rot 180:sc= 0.039 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= -0.508 K(o=-0.51,f=-3.1!) USER MOD Single : B 52 SER OG : rot 180:sc= -0.371 USER MOD Single : B 53 SER OG : rot 180:sc= 0 USER MOD Single : B 55 GLN : amide:sc= -0.303 X(o=-0.3,f=-0.66) USER MOD Single : B 56 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 58 LYS NZ :NH3+ 159:sc= 0.179 (180deg=0.0463) USER MOD Single : B 62 SER OG : rot -87:sc= 1.07 USER MOD Single : B 63 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0347) 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+ 155:sc= 0 (180deg=-0.638) USER MOD Single : B 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 84 GLN : amide:sc= 0 K(o=0,f=-0.81) USER MOD Single : B 86 THR OG1 : rot 180:sc= 0 USER MOD Single : B 89 GLN : amide:sc= -0.0949 X(o=-0.095,f=0) USER MOD Single : B 90 HIS : no HD1:sc= -0.0912 X(o=-0.091,f=-0.091) USER MOD Single : B 93 HIS : no HD1:sc= 0.0346 X(o=0.035,f=-0.2) USER MOD Single : B 97 THR OG1 : rot 39:sc= 0.161 USER MOD Single : B 99 HIS : no HD1:sc= -1.58 K(o=-0.42,f=-11!) USER MOD Single : B 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 21 -12.125 21.749 8.467 1.00 0.79 N ATOM 2 CA LYS A 21 -13.245 20.840 8.136 1.00 0.63 C ATOM 3 C LYS A 21 -12.722 19.575 7.473 1.00 0.53 C ATOM 4 O LYS A 21 -11.550 19.501 7.100 1.00 0.61 O ATOM 5 CB LYS A 21 -14.240 21.539 7.204 1.00 0.62 C ATOM 6 CG LYS A 21 -13.638 21.959 5.873 1.00 0.66 C ATOM 7 CD LYS A 21 -14.671 22.622 4.976 1.00 0.77 C ATOM 8 CE LYS A 21 -14.905 24.071 5.374 1.00 0.90 C ATOM 9 NZ LYS A 21 -16.145 24.626 4.769 1.00 1.10 N ATOM 0 HA LYS A 21 -13.754 20.571 9.062 1.00 0.63 H new ATOM 0 HB2 LYS A 21 -15.081 20.871 7.018 1.00 0.62 H new ATOM 0 HB3 LYS A 21 -14.638 22.420 7.707 1.00 0.62 H new ATOM 0 HG2 LYS A 21 -12.812 22.648 6.048 1.00 0.66 H new ATOM 0 HG3 LYS A 21 -13.224 21.086 5.369 1.00 0.66 H new ATOM 0 HD2 LYS A 21 -14.337 22.577 3.939 1.00 0.77 H new ATOM 0 HD3 LYS A 21 -15.610 22.072 5.032 1.00 0.77 H new ATOM 0 HE2 LYS A 21 -14.969 24.142 6.460 1.00 0.90 H new ATOM 0 HE3 LYS A 21 -14.051 24.673 5.065 1.00 0.90 H new ATOM 0 HZ1 LYS A 21 -16.264 25.615 5.067 1.00 1.10 H new ATOM 0 HZ2 LYS A 21 -16.075 24.583 3.732 1.00 1.10 H new ATOM 0 HZ3 LYS A 21 -16.964 24.068 5.084 1.00 1.10 H new ATOM 23 N TYR A 22 -13.589 18.583 7.330 1.00 0.49 N ATOM 24 CA TYR A 22 -13.205 17.328 6.701 1.00 0.49 C ATOM 25 C TYR A 22 -13.782 17.254 5.293 1.00 0.47 C ATOM 26 O TYR A 22 -14.757 17.939 4.977 1.00 0.57 O ATOM 27 CB TYR A 22 -13.685 16.131 7.532 1.00 0.56 C ATOM 28 CG TYR A 22 -13.546 16.322 9.027 1.00 0.55 C ATOM 29 CD1 TYR A 22 -12.355 16.771 9.590 1.00 0.56 C ATOM 30 CD2 TYR A 22 -14.610 16.051 9.876 1.00 0.61 C ATOM 31 CE1 TYR A 22 -12.233 16.947 10.953 1.00 0.60 C ATOM 32 CE2 TYR A 22 -14.494 16.222 11.240 1.00 0.67 C ATOM 33 CZ TYR A 22 -13.304 16.672 11.773 1.00 0.65 C ATOM 34 OH TYR A 22 -13.186 16.852 13.133 1.00 0.75 O ATOM 0 H TYR A 22 -14.560 18.622 7.640 1.00 0.49 H new ATOM 0 HA TYR A 22 -12.117 17.290 6.645 1.00 0.49 H new ATOM 0 HB2 TYR A 22 -14.731 15.935 7.297 1.00 0.56 H new ATOM 0 HB3 TYR A 22 -13.121 15.247 7.235 1.00 0.56 H new ATOM 0 HD1 TYR A 22 -11.512 16.985 8.949 1.00 0.56 H new ATOM 0 HD2 TYR A 22 -15.544 15.701 9.462 1.00 0.61 H new ATOM 0 HE1 TYR A 22 -11.303 17.298 11.374 1.00 0.60 H new ATOM 0 HE2 TYR A 22 -15.331 16.005 11.887 1.00 0.67 H new ATOM 0 HH TYR A 22 -14.031 16.615 13.569 1.00 0.75 H new ATOM 44 N LEU A 23 -13.174 16.433 4.453 1.00 0.41 N ATOM 45 CA LEU A 23 -13.628 16.269 3.081 1.00 0.43 C ATOM 46 C LEU A 23 -14.851 15.359 3.044 1.00 0.43 C ATOM 47 O LEU A 23 -15.909 15.737 2.542 1.00 0.52 O ATOM 48 CB LEU A 23 -12.500 15.695 2.218 1.00 0.45 C ATOM 49 CG LEU A 23 -11.197 16.505 2.232 1.00 0.54 C ATOM 50 CD1 LEU A 23 -10.071 15.721 1.576 1.00 0.64 C ATOM 51 CD2 LEU A 23 -11.389 17.844 1.531 1.00 0.70 C ATOM 0 H LEU A 23 -12.361 15.867 4.698 1.00 0.41 H new ATOM 0 HA LEU A 23 -13.907 17.242 2.678 1.00 0.43 H new ATOM 0 HB2 LEU A 23 -12.284 14.682 2.556 1.00 0.45 H new ATOM 0 HB3 LEU A 23 -12.852 15.620 1.189 1.00 0.45 H new ATOM 0 HG LEU A 23 -10.926 16.695 3.271 1.00 0.54 H new ATOM 0 HD11 LEU A 23 -9.156 16.313 1.596 1.00 0.64 H new ATOM 0 HD12 LEU A 23 -9.912 14.789 2.119 1.00 0.64 H new ATOM 0 HD13 LEU A 23 -10.337 15.499 0.543 1.00 0.64 H new ATOM 0 HD21 LEU A 23 -10.454 18.403 1.552 1.00 0.70 H new ATOM 0 HD22 LEU A 23 -11.687 17.674 0.496 1.00 0.70 H new ATOM 0 HD23 LEU A 23 -12.164 18.415 2.043 1.00 0.70 H new ATOM 63 N VAL A 24 -14.689 14.160 3.589 1.00 0.42 N ATOM 64 CA VAL A 24 -15.765 13.182 3.650 1.00 0.46 C ATOM 65 C VAL A 24 -15.816 12.581 5.050 1.00 0.43 C ATOM 66 O VAL A 24 -14.771 12.344 5.664 1.00 0.44 O ATOM 67 CB VAL A 24 -15.579 12.039 2.618 1.00 0.54 C ATOM 68 CG1 VAL A 24 -16.827 11.170 2.543 1.00 0.70 C ATOM 69 CG2 VAL A 24 -15.231 12.591 1.243 1.00 0.76 C ATOM 0 H VAL A 24 -13.812 13.840 3.999 1.00 0.42 H new ATOM 0 HA VAL A 24 -16.695 13.699 3.412 1.00 0.46 H new ATOM 0 HB VAL A 24 -14.747 11.420 2.954 1.00 0.54 H new ATOM 0 HG11 VAL A 24 -16.674 10.375 1.813 1.00 0.70 H new ATOM 0 HG12 VAL A 24 -17.024 10.731 3.521 1.00 0.70 H new ATOM 0 HG13 VAL A 24 -17.678 11.781 2.241 1.00 0.70 H new ATOM 0 HG21 VAL A 24 -15.107 11.767 0.541 1.00 0.76 H new ATOM 0 HG22 VAL A 24 -16.034 13.243 0.899 1.00 0.76 H new ATOM 0 HG23 VAL A 24 -14.303 13.159 1.303 1.00 0.76 H new ATOM 79 N GLU A 25 -17.020 12.359 5.561 1.00 0.45 N ATOM 80 CA GLU A 25 -17.193 11.778 6.888 1.00 0.45 C ATOM 81 C GLU A 25 -18.498 10.988 6.965 1.00 0.47 C ATOM 82 O GLU A 25 -19.540 11.441 6.487 1.00 0.55 O ATOM 83 CB GLU A 25 -17.167 12.864 7.972 1.00 0.49 C ATOM 84 CG GLU A 25 -18.142 14.003 7.729 1.00 0.56 C ATOM 85 CD GLU A 25 -18.669 14.598 9.017 1.00 0.69 C ATOM 86 OE1 GLU A 25 -19.261 13.847 9.823 1.00 0.96 O ATOM 87 OE2 GLU A 25 -18.500 15.815 9.234 1.00 0.95 O ATOM 0 H GLU A 25 -17.892 12.572 5.077 1.00 0.45 H new ATOM 0 HA GLU A 25 -16.361 11.097 7.065 1.00 0.45 H new ATOM 0 HB2 GLU A 25 -17.392 12.407 8.936 1.00 0.49 H new ATOM 0 HB3 GLU A 25 -16.158 13.271 8.040 1.00 0.49 H new ATOM 0 HG2 GLU A 25 -17.649 14.782 7.148 1.00 0.56 H new ATOM 0 HG3 GLU A 25 -18.978 13.640 7.131 1.00 0.56 H new ATOM 94 N PHE A 26 -18.432 9.801 7.556 1.00 0.43 N ATOM 95 CA PHE A 26 -19.606 8.948 7.702 1.00 0.46 C ATOM 96 C PHE A 26 -19.425 7.992 8.877 1.00 0.45 C ATOM 97 O PHE A 26 -18.312 7.825 9.380 1.00 0.44 O ATOM 98 CB PHE A 26 -19.880 8.159 6.413 1.00 0.47 C ATOM 99 CG PHE A 26 -18.684 7.432 5.861 1.00 0.46 C ATOM 100 CD1 PHE A 26 -18.361 6.160 6.303 1.00 0.48 C ATOM 101 CD2 PHE A 26 -17.888 8.020 4.889 1.00 0.51 C ATOM 102 CE1 PHE A 26 -17.268 5.491 5.791 1.00 0.49 C ATOM 103 CE2 PHE A 26 -16.793 7.354 4.373 1.00 0.55 C ATOM 104 CZ PHE A 26 -16.484 6.088 4.826 1.00 0.51 C ATOM 0 H PHE A 26 -17.575 9.406 7.943 1.00 0.43 H new ATOM 0 HA PHE A 26 -20.466 9.589 7.897 1.00 0.46 H new ATOM 0 HB2 PHE A 26 -20.672 7.435 6.606 1.00 0.47 H new ATOM 0 HB3 PHE A 26 -20.254 8.846 5.654 1.00 0.47 H new ATOM 0 HD1 PHE A 26 -18.972 5.686 7.057 1.00 0.48 H new ATOM 0 HD2 PHE A 26 -18.127 9.011 4.531 1.00 0.51 H new ATOM 0 HE1 PHE A 26 -17.027 4.500 6.146 1.00 0.49 H new ATOM 0 HE2 PHE A 26 -16.181 7.823 3.617 1.00 0.55 H new ATOM 0 HZ PHE A 26 -15.629 5.565 4.425 1.00 0.51 H new ATOM 114 N ARG A 27 -20.511 7.370 9.303 1.00 0.47 N ATOM 115 CA ARG A 27 -20.467 6.441 10.425 1.00 0.47 C ATOM 116 C ARG A 27 -20.149 5.030 9.952 1.00 0.45 C ATOM 117 O ARG A 27 -20.871 4.456 9.133 1.00 0.46 O ATOM 118 CB ARG A 27 -21.802 6.453 11.170 1.00 0.51 C ATOM 119 CG ARG A 27 -22.147 7.805 11.766 1.00 0.55 C ATOM 120 CD ARG A 27 -23.649 7.991 11.891 1.00 0.61 C ATOM 121 NE ARG A 27 -24.299 8.092 10.588 1.00 0.62 N ATOM 122 CZ ARG A 27 -25.517 8.587 10.404 1.00 0.73 C ATOM 123 NH1 ARG A 27 -26.224 9.029 11.434 1.00 0.84 N ATOM 124 NH2 ARG A 27 -26.032 8.627 9.185 1.00 0.77 N ATOM 0 H ARG A 27 -21.436 7.490 8.890 1.00 0.47 H new ATOM 0 HA ARG A 27 -19.675 6.762 11.102 1.00 0.47 H new ATOM 0 HB2 ARG A 27 -22.595 6.153 10.485 1.00 0.51 H new ATOM 0 HB3 ARG A 27 -21.772 5.710 11.967 1.00 0.51 H new ATOM 0 HG2 ARG A 27 -21.685 7.899 12.749 1.00 0.55 H new ATOM 0 HG3 ARG A 27 -21.732 8.596 11.141 1.00 0.55 H new ATOM 0 HD2 ARG A 27 -24.073 7.153 12.443 1.00 0.61 H new ATOM 0 HD3 ARG A 27 -23.856 8.891 12.470 1.00 0.61 H new ATOM 0 HE ARG A 27 -23.787 7.763 9.770 1.00 0.62 H new ATOM 0 HH11 ARG A 27 -25.833 8.990 12.375 1.00 0.84 H new ATOM 0 HH12 ARG A 27 -27.159 9.408 11.286 1.00 0.84 H new ATOM 0 HH21 ARG A 27 -25.493 8.278 8.392 1.00 0.77 H new ATOM 0 HH22 ARG A 27 -26.967 9.006 9.039 1.00 0.77 H new ATOM 138 N ALA A 28 -19.069 4.473 10.472 1.00 0.44 N ATOM 139 CA ALA A 28 -18.650 3.129 10.111 1.00 0.43 C ATOM 140 C ALA A 28 -17.807 2.517 11.217 1.00 0.42 C ATOM 141 O ALA A 28 -16.969 3.191 11.825 1.00 0.44 O ATOM 142 CB ALA A 28 -17.881 3.142 8.798 1.00 0.42 C ATOM 0 H ALA A 28 -18.462 4.934 11.150 1.00 0.44 H new ATOM 0 HA ALA A 28 -19.542 2.516 9.980 1.00 0.43 H new ATOM 0 HB1 ALA A 28 -17.576 2.127 8.545 1.00 0.42 H new ATOM 0 HB2 ALA A 28 -18.518 3.537 8.007 1.00 0.42 H new ATOM 0 HB3 ALA A 28 -16.997 3.772 8.900 1.00 0.42 H new ATOM 148 N GLY A 29 -18.044 1.246 11.484 1.00 0.43 N ATOM 149 CA GLY A 29 -17.303 0.559 12.514 1.00 0.43 C ATOM 150 C GLY A 29 -16.021 -0.029 11.975 1.00 0.41 C ATOM 151 O GLY A 29 -15.971 -0.470 10.825 1.00 0.46 O ATOM 0 H GLY A 29 -18.740 0.676 11.003 1.00 0.43 H new ATOM 0 HA2 GLY A 29 -17.074 1.253 13.323 1.00 0.43 H new ATOM 0 HA3 GLY A 29 -17.918 -0.234 12.938 1.00 0.43 H new ATOM 155 N LYS A 30 -14.986 -0.028 12.794 1.00 0.42 N ATOM 156 CA LYS A 30 -13.694 -0.559 12.390 1.00 0.42 C ATOM 157 C LYS A 30 -13.583 -2.034 12.765 1.00 0.41 C ATOM 158 O LYS A 30 -14.507 -2.614 13.338 1.00 0.45 O ATOM 159 CB LYS A 30 -12.559 0.235 13.046 1.00 0.48 C ATOM 160 CG LYS A 30 -12.520 0.103 14.564 1.00 0.54 C ATOM 161 CD LYS A 30 -11.451 0.988 15.183 1.00 0.67 C ATOM 162 CE LYS A 30 -10.052 0.443 14.942 1.00 0.70 C ATOM 163 NZ LYS A 30 -9.025 1.240 15.664 1.00 0.60 N ATOM 0 H LYS A 30 -15.013 0.336 13.747 1.00 0.42 H new ATOM 0 HA LYS A 30 -13.608 -0.464 11.308 1.00 0.42 H new ATOM 0 HB2 LYS A 30 -11.607 -0.102 12.636 1.00 0.48 H new ATOM 0 HB3 LYS A 30 -12.664 1.288 12.784 1.00 0.48 H new ATOM 0 HG2 LYS A 30 -13.494 0.367 14.976 1.00 0.54 H new ATOM 0 HG3 LYS A 30 -12.331 -0.936 14.833 1.00 0.54 H new ATOM 0 HD2 LYS A 30 -11.526 1.992 14.766 1.00 0.67 H new ATOM 0 HD3 LYS A 30 -11.627 1.074 16.255 1.00 0.67 H new ATOM 0 HE2 LYS A 30 -10.004 -0.596 15.269 1.00 0.70 H new ATOM 0 HE3 LYS A 30 -9.836 0.452 13.874 1.00 0.70 H new ATOM 0 HZ1 LYS A 30 -8.416 0.603 16.216 1.00 0.60 H new ATOM 0 HZ2 LYS A 30 -8.446 1.764 14.977 1.00 0.60 H new ATOM 0 HZ3 LYS A 30 -9.494 1.912 16.305 1.00 0.60 H new ATOM 177 N MET A 31 -12.455 -2.635 12.429 1.00 0.43 N ATOM 178 CA MET A 31 -12.201 -4.031 12.739 1.00 0.44 C ATOM 179 C MET A 31 -10.791 -4.169 13.289 1.00 0.46 C ATOM 180 O MET A 31 -9.901 -3.410 12.912 1.00 0.55 O ATOM 181 CB MET A 31 -12.371 -4.916 11.499 1.00 0.46 C ATOM 182 CG MET A 31 -13.759 -4.857 10.881 1.00 0.47 C ATOM 183 SD MET A 31 -14.200 -6.372 10.009 1.00 0.54 S ATOM 184 CE MET A 31 -15.759 -5.889 9.270 1.00 0.61 C ATOM 0 H MET A 31 -11.692 -2.171 11.936 1.00 0.43 H new ATOM 0 HA MET A 31 -12.925 -4.361 13.484 1.00 0.44 H new ATOM 0 HB2 MET A 31 -11.638 -4.618 10.749 1.00 0.46 H new ATOM 0 HB3 MET A 31 -12.149 -5.948 11.769 1.00 0.46 H new ATOM 0 HG2 MET A 31 -14.493 -4.667 11.664 1.00 0.47 H new ATOM 0 HG3 MET A 31 -13.808 -4.017 10.188 1.00 0.47 H new ATOM 0 HE1 MET A 31 -16.162 -6.722 8.694 1.00 0.61 H new ATOM 0 HE2 MET A 31 -16.464 -5.615 10.055 1.00 0.61 H new ATOM 0 HE3 MET A 31 -15.600 -5.036 8.611 1.00 0.61 H new ATOM 194 N SER A 32 -10.589 -5.107 14.195 1.00 0.49 N ATOM 195 CA SER A 32 -9.277 -5.312 14.787 1.00 0.52 C ATOM 196 C SER A 32 -8.825 -6.757 14.620 1.00 0.52 C ATOM 197 O SER A 32 -9.620 -7.688 14.743 1.00 0.54 O ATOM 198 CB SER A 32 -9.309 -4.930 16.266 1.00 0.59 C ATOM 199 OG SER A 32 -9.947 -3.674 16.440 1.00 0.93 O ATOM 0 H SER A 32 -11.313 -5.738 14.538 1.00 0.49 H new ATOM 0 HA SER A 32 -8.560 -4.674 14.271 1.00 0.52 H new ATOM 0 HB2 SER A 32 -9.838 -5.695 16.834 1.00 0.59 H new ATOM 0 HB3 SER A 32 -8.293 -4.886 16.659 1.00 0.59 H new ATOM 0 HG SER A 32 -9.961 -3.444 17.392 1.00 0.93 H new ATOM 205 N LEU A 33 -7.549 -6.935 14.319 1.00 0.54 N ATOM 206 CA LEU A 33 -6.995 -8.262 14.140 1.00 0.56 C ATOM 207 C LEU A 33 -6.529 -8.818 15.482 1.00 0.58 C ATOM 208 O LEU A 33 -5.421 -8.532 15.936 1.00 0.63 O ATOM 209 CB LEU A 33 -5.835 -8.224 13.141 1.00 0.58 C ATOM 210 CG LEU A 33 -5.178 -9.574 12.851 1.00 0.61 C ATOM 211 CD1 LEU A 33 -6.146 -10.503 12.134 1.00 0.62 C ATOM 212 CD2 LEU A 33 -3.916 -9.378 12.028 1.00 0.67 C ATOM 0 H LEU A 33 -6.879 -6.176 14.194 1.00 0.54 H new ATOM 0 HA LEU A 33 -7.769 -8.917 13.741 1.00 0.56 H new ATOM 0 HB2 LEU A 33 -6.199 -7.807 12.202 1.00 0.58 H new ATOM 0 HB3 LEU A 33 -5.074 -7.542 13.519 1.00 0.58 H new ATOM 0 HG LEU A 33 -4.907 -10.036 13.800 1.00 0.61 H new ATOM 0 HD11 LEU A 33 -5.657 -11.457 11.938 1.00 0.62 H new ATOM 0 HD12 LEU A 33 -7.024 -10.667 12.759 1.00 0.62 H new ATOM 0 HD13 LEU A 33 -6.452 -10.052 11.190 1.00 0.62 H new ATOM 0 HD21 LEU A 33 -3.458 -10.347 11.828 1.00 0.67 H new ATOM 0 HD22 LEU A 33 -4.168 -8.895 11.084 1.00 0.67 H new ATOM 0 HD23 LEU A 33 -3.215 -8.752 12.580 1.00 0.67 H new ATOM 224 N LYS A 34 -7.390 -9.596 16.117 1.00 0.59 N ATOM 225 CA LYS A 34 -7.068 -10.194 17.402 1.00 0.63 C ATOM 226 C LYS A 34 -6.332 -11.507 17.183 1.00 0.65 C ATOM 227 O LYS A 34 -6.949 -12.539 16.902 1.00 0.68 O ATOM 228 CB LYS A 34 -8.337 -10.420 18.229 1.00 0.66 C ATOM 229 CG LYS A 34 -9.052 -9.133 18.615 1.00 0.68 C ATOM 230 CD LYS A 34 -10.219 -9.405 19.552 1.00 0.76 C ATOM 231 CE LYS A 34 -10.999 -8.135 19.851 1.00 0.84 C ATOM 232 NZ LYS A 34 -12.104 -8.374 20.820 1.00 1.01 N ATOM 0 H LYS A 34 -8.318 -9.828 15.763 1.00 0.59 H new ATOM 0 HA LYS A 34 -6.424 -9.512 17.957 1.00 0.63 H new ATOM 0 HB2 LYS A 34 -9.022 -11.050 17.662 1.00 0.66 H new ATOM 0 HB3 LYS A 34 -8.077 -10.967 19.135 1.00 0.66 H new ATOM 0 HG2 LYS A 34 -8.348 -8.454 19.096 1.00 0.68 H new ATOM 0 HG3 LYS A 34 -9.414 -8.633 17.717 1.00 0.68 H new ATOM 0 HD2 LYS A 34 -10.883 -10.144 19.104 1.00 0.76 H new ATOM 0 HD3 LYS A 34 -9.848 -9.833 20.483 1.00 0.76 H new ATOM 0 HE2 LYS A 34 -10.323 -7.380 20.252 1.00 0.84 H new ATOM 0 HE3 LYS A 34 -11.410 -7.735 18.924 1.00 0.84 H new ATOM 0 HZ1 LYS A 34 -12.610 -7.483 20.996 1.00 1.01 H new ATOM 0 HZ2 LYS A 34 -12.764 -9.075 20.428 1.00 1.01 H new ATOM 0 HZ3 LYS A 34 -11.711 -8.731 21.714 1.00 1.01 H new ATOM 246 N GLY A 35 -5.012 -11.454 17.285 1.00 0.66 N ATOM 247 CA GLY A 35 -4.199 -12.635 17.078 1.00 0.70 C ATOM 248 C GLY A 35 -4.103 -12.989 15.610 1.00 0.70 C ATOM 249 O GLY A 35 -3.179 -12.565 14.917 1.00 0.75 O ATOM 0 H GLY A 35 -4.487 -10.609 17.509 1.00 0.66 H new ATOM 0 HA2 GLY A 35 -3.200 -12.465 17.479 1.00 0.70 H new ATOM 0 HA3 GLY A 35 -4.626 -13.473 17.629 1.00 0.70 H new ATOM 253 N THR A 36 -5.074 -13.750 15.132 1.00 0.68 N ATOM 254 CA THR A 36 -5.111 -14.155 13.740 1.00 0.70 C ATOM 255 C THR A 36 -6.550 -14.110 13.216 1.00 0.68 C ATOM 256 O THR A 36 -6.836 -14.569 12.110 1.00 0.72 O ATOM 257 CB THR A 36 -4.518 -15.574 13.562 1.00 0.75 C ATOM 258 OG1 THR A 36 -4.294 -15.855 12.173 1.00 0.82 O ATOM 259 CG2 THR A 36 -5.439 -16.633 14.162 1.00 0.77 C ATOM 0 H THR A 36 -5.851 -14.100 15.693 1.00 0.68 H new ATOM 0 HA THR A 36 -4.503 -13.458 13.164 1.00 0.70 H new ATOM 0 HB THR A 36 -3.565 -15.605 14.090 1.00 0.75 H new ATOM 0 HG1 THR A 36 -5.100 -15.635 11.661 1.00 0.82 H new ATOM 0 HG21 THR A 36 -4.998 -17.620 14.023 1.00 0.77 H new ATOM 0 HG22 THR A 36 -5.569 -16.441 15.227 1.00 0.77 H new ATOM 0 HG23 THR A 36 -6.409 -16.596 13.665 1.00 0.77 H new ATOM 267 N THR A 37 -7.444 -13.529 14.011 1.00 0.66 N ATOM 268 CA THR A 37 -8.850 -13.432 13.641 1.00 0.66 C ATOM 269 C THR A 37 -9.295 -11.975 13.529 1.00 0.61 C ATOM 270 O THR A 37 -8.968 -11.150 14.383 1.00 0.61 O ATOM 271 CB THR A 37 -9.740 -14.147 14.682 1.00 0.71 C ATOM 272 OG1 THR A 37 -9.220 -15.455 14.952 1.00 0.79 O ATOM 273 CG2 THR A 37 -11.178 -14.260 14.193 1.00 0.81 C ATOM 0 H THR A 37 -7.218 -13.118 14.917 1.00 0.66 H new ATOM 0 HA THR A 37 -8.961 -13.914 12.670 1.00 0.66 H new ATOM 0 HB THR A 37 -9.734 -13.553 15.596 1.00 0.71 H new ATOM 0 HG1 THR A 37 -9.788 -15.902 15.614 1.00 0.79 H new ATOM 0 HG21 THR A 37 -11.780 -14.768 14.947 1.00 0.81 H new ATOM 0 HG22 THR A 37 -11.582 -13.263 14.017 1.00 0.81 H new ATOM 0 HG23 THR A 37 -11.203 -14.831 13.265 1.00 0.81 H new ATOM 281 N VAL A 38 -10.027 -11.663 12.469 1.00 0.60 N ATOM 282 CA VAL A 38 -10.528 -10.313 12.262 1.00 0.57 C ATOM 283 C VAL A 38 -11.830 -10.121 13.037 1.00 0.57 C ATOM 284 O VAL A 38 -12.875 -10.655 12.662 1.00 0.64 O ATOM 285 CB VAL A 38 -10.765 -10.011 10.765 1.00 0.57 C ATOM 286 CG1 VAL A 38 -11.215 -8.572 10.567 1.00 0.59 C ATOM 287 CG2 VAL A 38 -9.507 -10.289 9.953 1.00 0.61 C ATOM 0 H VAL A 38 -10.287 -12.327 11.739 1.00 0.60 H new ATOM 0 HA VAL A 38 -9.771 -9.619 12.627 1.00 0.57 H new ATOM 0 HB VAL A 38 -11.558 -10.670 10.411 1.00 0.57 H new ATOM 0 HG11 VAL A 38 -11.375 -8.384 9.505 1.00 0.59 H new ATOM 0 HG12 VAL A 38 -12.145 -8.404 11.110 1.00 0.59 H new ATOM 0 HG13 VAL A 38 -10.448 -7.896 10.944 1.00 0.59 H new ATOM 0 HG21 VAL A 38 -9.696 -10.070 8.902 1.00 0.61 H new ATOM 0 HG22 VAL A 38 -8.694 -9.659 10.314 1.00 0.61 H new ATOM 0 HG23 VAL A 38 -9.229 -11.337 10.060 1.00 0.61 H new ATOM 297 N THR A 39 -11.753 -9.368 14.121 1.00 0.56 N ATOM 298 CA THR A 39 -12.910 -9.113 14.964 1.00 0.58 C ATOM 299 C THR A 39 -13.416 -7.684 14.783 1.00 0.55 C ATOM 300 O THR A 39 -12.689 -6.724 15.058 1.00 0.55 O ATOM 301 CB THR A 39 -12.563 -9.344 16.447 1.00 0.64 C ATOM 302 OG1 THR A 39 -11.702 -10.486 16.569 1.00 0.67 O ATOM 303 CG2 THR A 39 -13.823 -9.562 17.276 1.00 0.74 C ATOM 0 H THR A 39 -10.895 -8.919 14.440 1.00 0.56 H new ATOM 0 HA THR A 39 -13.694 -9.808 14.663 1.00 0.58 H new ATOM 0 HB THR A 39 -12.054 -8.456 16.823 1.00 0.64 H new ATOM 0 HG1 THR A 39 -11.962 -11.009 17.356 1.00 0.67 H new ATOM 0 HG21 THR A 39 -13.549 -9.723 18.319 1.00 0.74 H new ATOM 0 HG22 THR A 39 -14.465 -8.684 17.200 1.00 0.74 H new ATOM 0 HG23 THR A 39 -14.358 -10.435 16.903 1.00 0.74 H new ATOM 311 N PRO A 40 -14.654 -7.524 14.289 1.00 0.55 N ATOM 312 CA PRO A 40 -15.261 -6.207 14.081 1.00 0.54 C ATOM 313 C PRO A 40 -15.563 -5.500 15.398 1.00 0.56 C ATOM 314 O PRO A 40 -15.975 -6.132 16.376 1.00 0.63 O ATOM 315 CB PRO A 40 -16.566 -6.510 13.331 1.00 0.56 C ATOM 316 CG PRO A 40 -16.468 -7.931 12.894 1.00 0.65 C ATOM 317 CD PRO A 40 -15.557 -8.610 13.873 1.00 0.58 C ATOM 0 HA PRO A 40 -14.593 -5.540 13.536 1.00 0.54 H new ATOM 0 HB2 PRO A 40 -17.431 -6.359 13.977 1.00 0.56 H new ATOM 0 HB3 PRO A 40 -16.687 -5.846 12.475 1.00 0.56 H new ATOM 0 HG2 PRO A 40 -17.450 -8.404 12.884 1.00 0.65 H new ATOM 0 HG3 PRO A 40 -16.071 -8.000 11.881 1.00 0.65 H new ATOM 0 HD2 PRO A 40 -16.108 -9.023 14.718 1.00 0.58 H new ATOM 0 HD3 PRO A 40 -15.012 -9.435 13.413 1.00 0.58 H new ATOM 325 N ASP A 41 -15.357 -4.191 15.418 1.00 0.53 N ATOM 326 CA ASP A 41 -15.609 -3.393 16.610 1.00 0.56 C ATOM 327 C ASP A 41 -17.106 -3.155 16.766 1.00 0.58 C ATOM 328 O ASP A 41 -17.847 -3.167 15.780 1.00 0.66 O ATOM 329 CB ASP A 41 -14.874 -2.053 16.522 1.00 0.57 C ATOM 330 CG ASP A 41 -14.423 -1.539 17.876 1.00 0.61 C ATOM 331 OD1 ASP A 41 -15.280 -1.309 18.753 1.00 0.64 O ATOM 332 OD2 ASP A 41 -13.202 -1.352 18.066 1.00 0.68 O ATOM 0 H ASP A 41 -15.015 -3.657 14.619 1.00 0.53 H new ATOM 0 HA ASP A 41 -15.239 -3.936 17.479 1.00 0.56 H new ATOM 0 HB2 ASP A 41 -14.006 -2.162 15.872 1.00 0.57 H new ATOM 0 HB3 ASP A 41 -15.528 -1.315 16.058 1.00 0.57 H new ATOM 337 N LYS A 42 -17.545 -2.943 17.997 1.00 0.61 N ATOM 338 CA LYS A 42 -18.958 -2.713 18.274 1.00 0.64 C ATOM 339 C LYS A 42 -19.219 -1.242 18.583 1.00 0.64 C ATOM 340 O LYS A 42 -20.359 -0.844 18.835 1.00 0.76 O ATOM 341 CB LYS A 42 -19.414 -3.579 19.449 1.00 0.71 C ATOM 342 CG LYS A 42 -19.167 -5.066 19.241 1.00 0.72 C ATOM 343 CD LYS A 42 -19.822 -5.902 20.334 1.00 0.84 C ATOM 344 CE LYS A 42 -19.669 -7.394 20.073 1.00 0.90 C ATOM 345 NZ LYS A 42 -18.312 -7.883 20.431 1.00 1.08 N ATOM 0 H LYS A 42 -16.945 -2.925 18.821 1.00 0.61 H new ATOM 0 HA LYS A 42 -19.527 -2.986 17.385 1.00 0.64 H new ATOM 0 HB2 LYS A 42 -18.895 -3.256 20.351 1.00 0.71 H new ATOM 0 HB3 LYS A 42 -20.478 -3.416 19.618 1.00 0.71 H new ATOM 0 HG2 LYS A 42 -19.557 -5.368 18.269 1.00 0.72 H new ATOM 0 HG3 LYS A 42 -18.094 -5.259 19.228 1.00 0.72 H new ATOM 0 HD2 LYS A 42 -19.377 -5.654 21.297 1.00 0.84 H new ATOM 0 HD3 LYS A 42 -20.881 -5.651 20.398 1.00 0.84 H new ATOM 0 HE2 LYS A 42 -20.416 -7.942 20.648 1.00 0.90 H new ATOM 0 HE3 LYS A 42 -19.863 -7.600 19.020 1.00 0.90 H new ATOM 0 HZ1 LYS A 42 -18.249 -8.903 20.239 1.00 1.08 H new ATOM 0 HZ2 LYS A 42 -17.601 -7.379 19.864 1.00 1.08 H new ATOM 0 HZ3 LYS A 42 -18.136 -7.710 21.441 1.00 1.08 H new ATOM 359 N ARG A 43 -18.164 -0.439 18.566 1.00 0.58 N ATOM 360 CA ARG A 43 -18.288 0.986 18.847 1.00 0.58 C ATOM 361 C ARG A 43 -18.732 1.755 17.605 1.00 0.55 C ATOM 362 O ARG A 43 -18.393 1.388 16.478 1.00 0.55 O ATOM 363 CB ARG A 43 -16.959 1.559 19.340 1.00 0.58 C ATOM 364 CG ARG A 43 -16.562 1.090 20.726 1.00 0.60 C ATOM 365 CD ARG A 43 -15.127 1.475 21.041 1.00 0.60 C ATOM 366 NE ARG A 43 -14.203 0.979 20.022 1.00 0.57 N ATOM 367 CZ ARG A 43 -13.051 1.570 19.701 1.00 0.57 C ATOM 368 NH1 ARG A 43 -12.664 2.681 20.318 1.00 0.62 N ATOM 369 NH2 ARG A 43 -12.280 1.040 18.760 1.00 0.57 N ATOM 0 H ARG A 43 -17.214 -0.749 18.361 1.00 0.58 H new ATOM 0 HA ARG A 43 -19.043 1.099 19.625 1.00 0.58 H new ATOM 0 HB2 ARG A 43 -16.173 1.285 18.636 1.00 0.58 H new ATOM 0 HB3 ARG A 43 -17.022 2.647 19.340 1.00 0.58 H new ATOM 0 HG2 ARG A 43 -17.231 1.528 21.467 1.00 0.60 H new ATOM 0 HG3 ARG A 43 -16.675 0.008 20.794 1.00 0.60 H new ATOM 0 HD2 ARG A 43 -15.047 2.560 21.109 1.00 0.60 H new ATOM 0 HD3 ARG A 43 -14.847 1.073 22.015 1.00 0.60 H new ATOM 0 HE ARG A 43 -14.456 0.125 19.524 1.00 0.57 H new ATOM 0 HH11 ARG A 43 -13.250 3.091 21.046 1.00 0.62 H new ATOM 0 HH12 ARG A 43 -11.781 3.124 20.064 1.00 0.62 H new ATOM 0 HH21 ARG A 43 -12.569 0.185 18.286 1.00 0.57 H new ATOM 0 HH22 ARG A 43 -11.398 1.488 18.511 1.00 0.57 H new ATOM 383 N LYS A 44 -19.498 2.814 17.819 1.00 0.57 N ATOM 384 CA LYS A 44 -19.968 3.648 16.724 1.00 0.56 C ATOM 385 C LYS A 44 -18.946 4.745 16.463 1.00 0.53 C ATOM 386 O LYS A 44 -18.831 5.698 17.240 1.00 0.59 O ATOM 387 CB LYS A 44 -21.329 4.268 17.053 1.00 0.62 C ATOM 388 CG LYS A 44 -22.302 3.304 17.710 1.00 0.70 C ATOM 389 CD LYS A 44 -23.558 4.021 18.170 1.00 0.79 C ATOM 390 CE LYS A 44 -24.305 3.215 19.219 1.00 0.93 C ATOM 391 NZ LYS A 44 -25.502 3.935 19.719 1.00 1.07 N ATOM 0 H LYS A 44 -19.808 3.116 18.743 1.00 0.57 H new ATOM 0 HA LYS A 44 -20.086 3.030 15.834 1.00 0.56 H new ATOM 0 HB2 LYS A 44 -21.178 5.122 17.713 1.00 0.62 H new ATOM 0 HB3 LYS A 44 -21.775 4.649 16.135 1.00 0.62 H new ATOM 0 HG2 LYS A 44 -22.567 2.515 17.006 1.00 0.70 H new ATOM 0 HG3 LYS A 44 -21.822 2.823 18.562 1.00 0.70 H new ATOM 0 HD2 LYS A 44 -23.293 4.996 18.579 1.00 0.79 H new ATOM 0 HD3 LYS A 44 -24.210 4.201 17.315 1.00 0.79 H new ATOM 0 HE2 LYS A 44 -24.608 2.258 18.794 1.00 0.93 H new ATOM 0 HE3 LYS A 44 -23.638 2.997 20.053 1.00 0.93 H new ATOM 0 HZ1 LYS A 44 -25.984 3.353 20.433 1.00 1.07 H new ATOM 0 HZ2 LYS A 44 -25.211 4.837 20.147 1.00 1.07 H new ATOM 0 HZ3 LYS A 44 -26.151 4.121 18.928 1.00 1.07 H new ATOM 405 N GLY A 45 -18.203 4.605 15.378 1.00 0.52 N ATOM 406 CA GLY A 45 -17.182 5.575 15.059 1.00 0.51 C ATOM 407 C GLY A 45 -17.497 6.385 13.822 1.00 0.48 C ATOM 408 O GLY A 45 -18.471 6.118 13.119 1.00 0.50 O ATOM 0 H GLY A 45 -18.289 3.836 14.713 1.00 0.52 H new ATOM 0 HA2 GLY A 45 -17.054 6.250 15.905 1.00 0.51 H new ATOM 0 HA3 GLY A 45 -16.232 5.060 14.916 1.00 0.51 H new ATOM 412 N LEU A 46 -16.671 7.383 13.570 1.00 0.46 N ATOM 413 CA LEU A 46 -16.833 8.257 12.428 1.00 0.45 C ATOM 414 C LEU A 46 -15.560 8.273 11.596 1.00 0.41 C ATOM 415 O LEU A 46 -14.483 8.618 12.093 1.00 0.42 O ATOM 416 CB LEU A 46 -17.161 9.677 12.895 1.00 0.47 C ATOM 417 CG LEU A 46 -17.450 10.684 11.779 1.00 0.51 C ATOM 418 CD1 LEU A 46 -18.890 10.561 11.306 1.00 0.56 C ATOM 419 CD2 LEU A 46 -17.169 12.102 12.251 1.00 0.59 C ATOM 0 H LEU A 46 -15.867 7.609 14.155 1.00 0.46 H new ATOM 0 HA LEU A 46 -17.654 7.883 11.816 1.00 0.45 H new ATOM 0 HB2 LEU A 46 -18.027 9.633 13.555 1.00 0.47 H new ATOM 0 HB3 LEU A 46 -16.326 10.048 13.489 1.00 0.47 H new ATOM 0 HG LEU A 46 -16.790 10.461 10.941 1.00 0.51 H new ATOM 0 HD11 LEU A 46 -19.076 11.285 10.513 1.00 0.56 H new ATOM 0 HD12 LEU A 46 -19.063 9.554 10.926 1.00 0.56 H new ATOM 0 HD13 LEU A 46 -19.565 10.755 12.140 1.00 0.56 H new ATOM 0 HD21 LEU A 46 -17.380 12.803 11.443 1.00 0.59 H new ATOM 0 HD22 LEU A 46 -17.803 12.333 13.107 1.00 0.59 H new ATOM 0 HD23 LEU A 46 -16.122 12.188 12.541 1.00 0.59 H new ATOM 431 N VAL A 47 -15.680 7.881 10.341 1.00 0.40 N ATOM 432 CA VAL A 47 -14.543 7.875 9.439 1.00 0.39 C ATOM 433 C VAL A 47 -14.457 9.224 8.750 1.00 0.37 C ATOM 434 O VAL A 47 -15.347 9.588 7.979 1.00 0.40 O ATOM 435 CB VAL A 47 -14.654 6.767 8.370 1.00 0.41 C ATOM 436 CG1 VAL A 47 -13.349 6.626 7.602 1.00 0.57 C ATOM 437 CG2 VAL A 47 -15.053 5.448 9.010 1.00 0.43 C ATOM 0 H VAL A 47 -16.554 7.562 9.923 1.00 0.40 H new ATOM 0 HA VAL A 47 -13.647 7.678 10.028 1.00 0.39 H new ATOM 0 HB VAL A 47 -15.432 7.050 7.661 1.00 0.41 H new ATOM 0 HG11 VAL A 47 -13.450 5.840 6.854 1.00 0.57 H new ATOM 0 HG12 VAL A 47 -13.114 7.569 7.108 1.00 0.57 H new ATOM 0 HG13 VAL A 47 -12.546 6.368 8.293 1.00 0.57 H new ATOM 0 HG21 VAL A 47 -15.127 4.678 8.242 1.00 0.43 H new ATOM 0 HG22 VAL A 47 -14.301 5.158 9.744 1.00 0.43 H new ATOM 0 HG23 VAL A 47 -16.018 5.561 9.504 1.00 0.43 H new ATOM 447 N TYR A 48 -13.407 9.975 9.033 1.00 0.37 N ATOM 448 CA TYR A 48 -13.257 11.290 8.439 1.00 0.37 C ATOM 449 C TYR A 48 -11.916 11.429 7.731 1.00 0.34 C ATOM 450 O TYR A 48 -10.901 10.883 8.167 1.00 0.36 O ATOM 451 CB TYR A 48 -13.422 12.386 9.502 1.00 0.43 C ATOM 452 CG TYR A 48 -12.238 12.548 10.439 1.00 0.44 C ATOM 453 CD1 TYR A 48 -12.070 11.711 11.535 1.00 0.63 C ATOM 454 CD2 TYR A 48 -11.297 13.551 10.229 1.00 0.46 C ATOM 455 CE1 TYR A 48 -10.995 11.867 12.394 1.00 0.73 C ATOM 456 CE2 TYR A 48 -10.223 13.713 11.084 1.00 0.54 C ATOM 457 CZ TYR A 48 -10.076 12.871 12.164 1.00 0.64 C ATOM 458 OH TYR A 48 -9.007 13.034 13.019 1.00 0.78 O ATOM 0 H TYR A 48 -12.654 9.700 9.663 1.00 0.37 H new ATOM 0 HA TYR A 48 -14.042 11.409 7.692 1.00 0.37 H new ATOM 0 HB2 TYR A 48 -13.602 13.336 8.999 1.00 0.43 H new ATOM 0 HB3 TYR A 48 -14.310 12.166 10.095 1.00 0.43 H new ATOM 0 HD1 TYR A 48 -12.789 10.927 11.720 1.00 0.63 H new ATOM 0 HD2 TYR A 48 -11.408 14.214 9.384 1.00 0.46 H new ATOM 0 HE1 TYR A 48 -10.876 11.206 13.240 1.00 0.73 H new ATOM 0 HE2 TYR A 48 -9.502 14.497 10.906 1.00 0.54 H new ATOM 0 HH TYR A 48 -8.205 12.637 12.620 1.00 0.78 H new ATOM 468 N ILE A 49 -11.937 12.151 6.627 1.00 0.33 N ATOM 469 CA ILE A 49 -10.746 12.398 5.840 1.00 0.32 C ATOM 470 C ILE A 49 -10.466 13.893 5.817 1.00 0.30 C ATOM 471 O ILE A 49 -11.317 14.685 5.405 1.00 0.35 O ATOM 472 CB ILE A 49 -10.907 11.866 4.401 1.00 0.37 C ATOM 473 CG1 ILE A 49 -11.172 10.358 4.429 1.00 0.48 C ATOM 474 CG2 ILE A 49 -9.670 12.177 3.571 1.00 0.41 C ATOM 475 CD1 ILE A 49 -11.592 9.786 3.095 1.00 0.69 C ATOM 0 H ILE A 49 -12.781 12.583 6.251 1.00 0.33 H new ATOM 0 HA ILE A 49 -9.908 11.871 6.297 1.00 0.32 H new ATOM 0 HB ILE A 49 -11.758 12.364 3.937 1.00 0.37 H new ATOM 0 HG12 ILE A 49 -10.270 9.847 4.765 1.00 0.48 H new ATOM 0 HG13 ILE A 49 -11.949 10.149 5.164 1.00 0.48 H new ATOM 0 HG21 ILE A 49 -9.804 11.793 2.560 1.00 0.41 H new ATOM 0 HG22 ILE A 49 -9.519 13.256 3.533 1.00 0.41 H new ATOM 0 HG23 ILE A 49 -8.799 11.705 4.025 1.00 0.41 H new ATOM 0 HD11 ILE A 49 -11.761 8.714 3.196 1.00 0.69 H new ATOM 0 HD12 ILE A 49 -12.512 10.269 2.765 1.00 0.69 H new ATOM 0 HD13 ILE A 49 -10.806 9.962 2.360 1.00 0.69 H new ATOM 487 N GLN A 50 -9.290 14.275 6.276 1.00 0.30 N ATOM 488 CA GLN A 50 -8.911 15.680 6.340 1.00 0.33 C ATOM 489 C GLN A 50 -7.535 15.900 5.725 1.00 0.30 C ATOM 490 O GLN A 50 -6.670 15.033 5.803 1.00 0.36 O ATOM 491 CB GLN A 50 -8.913 16.136 7.801 1.00 0.42 C ATOM 492 CG GLN A 50 -8.628 17.615 7.996 1.00 0.51 C ATOM 493 CD GLN A 50 -8.489 17.989 9.455 1.00 0.66 C ATOM 494 OE1 GLN A 50 -8.061 17.183 10.279 1.00 0.82 O ATOM 495 NE2 GLN A 50 -8.836 19.220 9.779 1.00 0.86 N ATOM 0 H GLN A 50 -8.574 13.631 6.613 1.00 0.30 H new ATOM 0 HA GLN A 50 -9.632 16.267 5.771 1.00 0.33 H new ATOM 0 HB2 GLN A 50 -9.883 15.904 8.240 1.00 0.42 H new ATOM 0 HB3 GLN A 50 -8.169 15.559 8.350 1.00 0.42 H new ATOM 0 HG2 GLN A 50 -7.712 17.878 7.468 1.00 0.51 H new ATOM 0 HG3 GLN A 50 -9.433 18.199 7.549 1.00 0.51 H new ATOM 0 HE21 GLN A 50 -9.187 19.856 9.063 1.00 0.86 H new ATOM 0 HE22 GLN A 50 -8.754 19.535 10.746 1.00 0.86 H new ATOM 504 N GLN A 51 -7.342 17.050 5.102 1.00 0.37 N ATOM 505 CA GLN A 51 -6.064 17.382 4.491 1.00 0.37 C ATOM 506 C GLN A 51 -5.359 18.452 5.320 1.00 0.39 C ATOM 507 O GLN A 51 -5.995 19.400 5.789 1.00 0.51 O ATOM 508 CB GLN A 51 -6.269 17.874 3.054 1.00 0.44 C ATOM 509 CG GLN A 51 -4.971 18.041 2.275 1.00 0.52 C ATOM 510 CD GLN A 51 -5.185 18.609 0.888 1.00 0.72 C ATOM 511 OE1 GLN A 51 -6.108 19.391 0.656 1.00 0.91 O ATOM 512 NE2 GLN A 51 -4.342 18.212 -0.053 1.00 0.93 N ATOM 0 H GLN A 51 -8.056 17.772 5.005 1.00 0.37 H new ATOM 0 HA GLN A 51 -5.443 16.486 4.462 1.00 0.37 H new ATOM 0 HB2 GLN A 51 -6.912 17.169 2.526 1.00 0.44 H new ATOM 0 HB3 GLN A 51 -6.794 18.829 3.077 1.00 0.44 H new ATOM 0 HG2 GLN A 51 -4.301 18.697 2.831 1.00 0.52 H new ATOM 0 HG3 GLN A 51 -4.475 17.074 2.193 1.00 0.52 H new ATOM 0 HE21 GLN A 51 -3.589 17.563 0.177 1.00 0.93 H new ATOM 0 HE22 GLN A 51 -4.445 18.555 -1.008 1.00 0.93 H new ATOM 521 N THR A 52 -4.060 18.292 5.522 1.00 0.38 N ATOM 522 CA THR A 52 -3.289 19.250 6.299 1.00 0.45 C ATOM 523 C THR A 52 -2.704 20.348 5.410 1.00 0.36 C ATOM 524 O THR A 52 -2.876 20.329 4.190 1.00 0.33 O ATOM 525 CB THR A 52 -2.158 18.545 7.063 1.00 0.59 C ATOM 526 OG1 THR A 52 -1.942 17.239 6.513 1.00 0.65 O ATOM 527 CG2 THR A 52 -2.492 18.433 8.543 1.00 0.80 C ATOM 0 H THR A 52 -3.518 17.508 5.159 1.00 0.38 H new ATOM 0 HA THR A 52 -3.970 19.712 7.014 1.00 0.45 H new ATOM 0 HB THR A 52 -1.250 19.138 6.959 1.00 0.59 H new ATOM 0 HG1 THR A 52 -1.171 17.262 5.909 1.00 0.65 H new ATOM 0 HG21 THR A 52 -1.676 17.930 9.063 1.00 0.80 H new ATOM 0 HG22 THR A 52 -2.629 19.430 8.961 1.00 0.80 H new ATOM 0 HG23 THR A 52 -3.410 17.858 8.666 1.00 0.80 H new ATOM 535 N ASP A 53 -2.000 21.296 6.024 1.00 0.40 N ATOM 536 CA ASP A 53 -1.394 22.412 5.295 1.00 0.41 C ATOM 537 C ASP A 53 -0.230 21.945 4.428 1.00 0.39 C ATOM 538 O ASP A 53 0.259 22.680 3.570 1.00 0.52 O ATOM 539 CB ASP A 53 -0.922 23.493 6.268 1.00 0.52 C ATOM 540 CG ASP A 53 0.146 22.998 7.220 1.00 0.62 C ATOM 541 OD1 ASP A 53 -0.156 22.097 8.036 1.00 0.77 O ATOM 542 OD2 ASP A 53 1.286 23.504 7.163 1.00 0.74 O ATOM 0 H ASP A 53 -1.833 21.315 7.030 1.00 0.40 H new ATOM 0 HA ASP A 53 -2.157 22.831 4.639 1.00 0.41 H new ATOM 0 HB2 ASP A 53 -0.534 24.340 5.703 1.00 0.52 H new ATOM 0 HB3 ASP A 53 -1.774 23.856 6.842 1.00 0.52 H new ATOM 547 N ASP A 54 0.212 20.718 4.653 1.00 0.42 N ATOM 548 CA ASP A 54 1.301 20.143 3.877 1.00 0.55 C ATOM 549 C ASP A 54 0.739 19.431 2.650 1.00 0.45 C ATOM 550 O ASP A 54 1.473 18.778 1.908 1.00 0.52 O ATOM 551 CB ASP A 54 2.135 19.181 4.728 1.00 0.73 C ATOM 552 CG ASP A 54 1.297 18.154 5.465 1.00 0.74 C ATOM 553 OD1 ASP A 54 0.129 17.935 5.081 1.00 0.65 O ATOM 554 OD2 ASP A 54 1.808 17.568 6.443 1.00 1.10 O ATOM 0 H ASP A 54 -0.168 20.099 5.369 1.00 0.42 H new ATOM 0 HA ASP A 54 1.959 20.948 3.549 1.00 0.55 H new ATOM 0 HB2 ASP A 54 2.849 18.665 4.086 1.00 0.73 H new ATOM 0 HB3 ASP A 54 2.714 19.755 5.452 1.00 0.73 H new ATOM 559 N SER A 55 -0.579 19.564 2.473 1.00 0.36 N ATOM 560 CA SER A 55 -1.308 18.974 1.352 1.00 0.40 C ATOM 561 C SER A 55 -1.435 17.453 1.486 1.00 0.37 C ATOM 562 O SER A 55 -1.893 16.779 0.562 1.00 0.52 O ATOM 563 CB SER A 55 -0.643 19.346 0.022 1.00 0.57 C ATOM 564 OG SER A 55 -0.434 20.748 -0.067 1.00 0.66 O ATOM 0 H SER A 55 -1.174 20.091 3.113 1.00 0.36 H new ATOM 0 HA SER A 55 -2.317 19.385 1.368 1.00 0.40 H new ATOM 0 HB2 SER A 55 0.310 18.826 -0.070 1.00 0.57 H new ATOM 0 HB3 SER A 55 -1.268 19.014 -0.807 1.00 0.57 H new ATOM 0 HG SER A 55 -0.007 20.961 -0.923 1.00 0.66 H new ATOM 570 N LEU A 56 -1.059 16.918 2.639 1.00 0.28 N ATOM 571 CA LEU A 56 -1.140 15.484 2.864 1.00 0.31 C ATOM 572 C LEU A 56 -2.541 15.090 3.312 1.00 0.27 C ATOM 573 O LEU A 56 -3.158 15.763 4.138 1.00 0.30 O ATOM 574 CB LEU A 56 -0.102 15.041 3.899 1.00 0.38 C ATOM 575 CG LEU A 56 1.354 15.311 3.513 1.00 0.40 C ATOM 576 CD1 LEU A 56 2.304 14.666 4.512 1.00 0.49 C ATOM 577 CD2 LEU A 56 1.636 14.811 2.105 1.00 0.48 C ATOM 0 H LEU A 56 -0.697 17.453 3.428 1.00 0.28 H new ATOM 0 HA LEU A 56 -0.925 14.978 1.923 1.00 0.31 H new ATOM 0 HB2 LEU A 56 -0.312 15.547 4.841 1.00 0.38 H new ATOM 0 HB3 LEU A 56 -0.222 13.972 4.077 1.00 0.38 H new ATOM 0 HG LEU A 56 1.518 16.388 3.533 1.00 0.40 H new ATOM 0 HD11 LEU A 56 3.334 14.870 4.219 1.00 0.49 H new ATOM 0 HD12 LEU A 56 2.121 15.076 5.505 1.00 0.49 H new ATOM 0 HD13 LEU A 56 2.138 13.589 4.528 1.00 0.49 H new ATOM 0 HD21 LEU A 56 2.676 15.012 1.849 1.00 0.48 H new ATOM 0 HD22 LEU A 56 1.451 13.738 2.056 1.00 0.48 H new ATOM 0 HD23 LEU A 56 0.983 15.324 1.399 1.00 0.48 H new ATOM 589 N ILE A 57 -3.044 14.005 2.746 1.00 0.27 N ATOM 590 CA ILE A 57 -4.371 13.513 3.082 1.00 0.26 C ATOM 591 C ILE A 57 -4.307 12.634 4.328 1.00 0.24 C ATOM 592 O ILE A 57 -3.461 11.750 4.423 1.00 0.29 O ATOM 593 CB ILE A 57 -4.976 12.697 1.920 1.00 0.30 C ATOM 594 CG1 ILE A 57 -4.742 13.394 0.574 1.00 0.45 C ATOM 595 CG2 ILE A 57 -6.459 12.479 2.147 1.00 0.35 C ATOM 596 CD1 ILE A 57 -5.514 14.689 0.405 1.00 0.57 C ATOM 0 H ILE A 57 -2.552 13.446 2.049 1.00 0.27 H new ATOM 0 HA ILE A 57 -5.006 14.379 3.271 1.00 0.26 H new ATOM 0 HB ILE A 57 -4.476 11.729 1.891 1.00 0.30 H new ATOM 0 HG12 ILE A 57 -3.677 13.601 0.464 1.00 0.45 H new ATOM 0 HG13 ILE A 57 -5.018 12.711 -0.230 1.00 0.45 H new ATOM 0 HG21 ILE A 57 -6.873 11.902 1.320 1.00 0.35 H new ATOM 0 HG22 ILE A 57 -6.608 11.935 3.079 1.00 0.35 H new ATOM 0 HG23 ILE A 57 -6.964 13.443 2.205 1.00 0.35 H new ATOM 0 HD11 ILE A 57 -5.294 15.119 -0.572 1.00 0.57 H new ATOM 0 HD12 ILE A 57 -6.583 14.488 0.480 1.00 0.57 H new ATOM 0 HD13 ILE A 57 -5.221 15.392 1.185 1.00 0.57 H new ATOM 608 N HIS A 58 -5.188 12.885 5.284 1.00 0.25 N ATOM 609 CA HIS A 58 -5.218 12.113 6.520 1.00 0.27 C ATOM 610 C HIS A 58 -6.477 11.264 6.611 1.00 0.27 C ATOM 611 O HIS A 58 -7.595 11.774 6.511 1.00 0.33 O ATOM 612 CB HIS A 58 -5.149 13.033 7.741 1.00 0.32 C ATOM 613 CG HIS A 58 -3.758 13.350 8.186 1.00 0.39 C ATOM 614 ND1 HIS A 58 -3.145 12.714 9.243 1.00 0.51 N ATOM 615 CD2 HIS A 58 -2.860 14.250 7.719 1.00 0.48 C ATOM 616 CE1 HIS A 58 -1.933 13.206 9.410 1.00 0.61 C ATOM 617 NE2 HIS A 58 -1.736 14.142 8.498 1.00 0.59 N ATOM 0 H HIS A 58 -5.894 13.619 5.229 1.00 0.25 H new ATOM 0 HA HIS A 58 -4.347 11.458 6.509 1.00 0.27 H new ATOM 0 HB2 HIS A 58 -5.667 13.964 7.511 1.00 0.32 H new ATOM 0 HB3 HIS A 58 -5.686 12.565 8.566 1.00 0.32 H new ATOM 0 HD1 HIS A 58 -3.564 11.976 9.809 1.00 0.51 H new ATOM 0 HD2 HIS A 58 -3.002 14.926 6.889 1.00 0.48 H new ATOM 0 HE1 HIS A 58 -1.223 12.897 10.163 1.00 0.61 H new ATOM 626 N PHE A 59 -6.278 9.970 6.784 1.00 0.27 N ATOM 627 CA PHE A 59 -7.371 9.020 6.933 1.00 0.28 C ATOM 628 C PHE A 59 -7.398 8.571 8.384 1.00 0.31 C ATOM 629 O PHE A 59 -6.540 7.794 8.816 1.00 0.36 O ATOM 630 CB PHE A 59 -7.168 7.822 6.000 1.00 0.31 C ATOM 631 CG PHE A 59 -8.370 6.921 5.878 1.00 0.45 C ATOM 632 CD1 PHE A 59 -9.340 7.162 4.918 1.00 0.69 C ATOM 633 CD2 PHE A 59 -8.523 5.829 6.717 1.00 0.63 C ATOM 634 CE1 PHE A 59 -10.440 6.335 4.799 1.00 0.92 C ATOM 635 CE2 PHE A 59 -9.622 4.998 6.604 1.00 0.84 C ATOM 636 CZ PHE A 59 -10.580 5.252 5.643 1.00 0.94 C ATOM 0 H PHE A 59 -5.352 9.545 6.826 1.00 0.27 H new ATOM 0 HA PHE A 59 -8.320 9.486 6.666 1.00 0.28 H new ATOM 0 HB2 PHE A 59 -6.902 8.189 5.009 1.00 0.31 H new ATOM 0 HB3 PHE A 59 -6.323 7.235 6.360 1.00 0.31 H new ATOM 0 HD1 PHE A 59 -9.235 8.007 4.254 1.00 0.69 H new ATOM 0 HD2 PHE A 59 -7.775 5.625 7.468 1.00 0.63 H new ATOM 0 HE1 PHE A 59 -11.189 6.535 4.047 1.00 0.92 H new ATOM 0 HE2 PHE A 59 -9.731 4.152 7.266 1.00 0.84 H new ATOM 0 HZ PHE A 59 -11.439 4.603 5.552 1.00 0.94 H new ATOM 646 N CYS A 60 -8.360 9.072 9.141 1.00 0.33 N ATOM 647 CA CYS A 60 -8.436 8.748 10.552 1.00 0.38 C ATOM 648 C CYS A 60 -9.807 8.222 10.964 1.00 0.38 C ATOM 649 O CYS A 60 -10.831 8.555 10.364 1.00 0.40 O ATOM 650 CB CYS A 60 -8.102 9.993 11.375 1.00 0.43 C ATOM 651 SG CYS A 60 -7.143 11.236 10.476 1.00 0.46 S ATOM 0 H CYS A 60 -9.092 9.698 8.805 1.00 0.33 H new ATOM 0 HA CYS A 60 -7.715 7.953 10.741 1.00 0.38 H new ATOM 0 HB2 CYS A 60 -9.031 10.447 11.721 1.00 0.43 H new ATOM 0 HB3 CYS A 60 -7.545 9.691 12.262 1.00 0.43 H new ATOM 0 HG CYS A 60 -5.910 10.838 10.368 1.00 0.46 H new ATOM 657 N TRP A 61 -9.803 7.395 11.998 1.00 0.39 N ATOM 658 CA TRP A 61 -11.022 6.824 12.547 1.00 0.39 C ATOM 659 C TRP A 61 -11.231 7.380 13.951 1.00 0.42 C ATOM 660 O TRP A 61 -10.398 7.172 14.838 1.00 0.45 O ATOM 661 CB TRP A 61 -10.941 5.294 12.586 1.00 0.40 C ATOM 662 CG TRP A 61 -12.250 4.632 12.925 1.00 0.41 C ATOM 663 CD1 TRP A 61 -13.214 4.231 12.044 1.00 0.43 C ATOM 664 CD2 TRP A 61 -12.740 4.292 14.231 1.00 0.43 C ATOM 665 NE1 TRP A 61 -14.273 3.675 12.720 1.00 0.45 N ATOM 666 CE2 TRP A 61 -14.006 3.697 14.062 1.00 0.45 C ATOM 667 CE3 TRP A 61 -12.236 4.437 15.526 1.00 0.46 C ATOM 668 CZ2 TRP A 61 -14.767 3.246 15.137 1.00 0.49 C ATOM 669 CZ3 TRP A 61 -12.994 3.985 16.591 1.00 0.51 C ATOM 670 CH2 TRP A 61 -14.249 3.398 16.391 1.00 0.52 C ATOM 0 H TRP A 61 -8.954 7.101 12.480 1.00 0.39 H new ATOM 0 HA TRP A 61 -11.865 7.093 11.911 1.00 0.39 H new ATOM 0 HB2 TRP A 61 -10.600 4.931 11.616 1.00 0.40 H new ATOM 0 HB3 TRP A 61 -10.192 4.996 13.319 1.00 0.40 H new ATOM 0 HD1 TRP A 61 -13.153 4.336 10.971 1.00 0.43 H new ATOM 0 HE1 TRP A 61 -15.121 3.305 12.291 1.00 0.45 H new ATOM 0 HE3 TRP A 61 -11.272 4.894 15.692 1.00 0.46 H new ATOM 0 HZ2 TRP A 61 -15.735 2.791 14.984 1.00 0.49 H new ATOM 0 HZ3 TRP A 61 -12.611 4.087 17.595 1.00 0.51 H new ATOM 0 HH2 TRP A 61 -14.818 3.059 17.244 1.00 0.52 H new ATOM 681 N LYS A 62 -12.324 8.091 14.147 1.00 0.46 N ATOM 682 CA LYS A 62 -12.614 8.697 15.436 1.00 0.50 C ATOM 683 C LYS A 62 -13.827 8.059 16.104 1.00 0.51 C ATOM 684 O LYS A 62 -14.863 7.861 15.473 1.00 0.51 O ATOM 685 CB LYS A 62 -12.845 10.200 15.256 1.00 0.57 C ATOM 686 CG LYS A 62 -13.259 10.922 16.528 1.00 0.63 C ATOM 687 CD LYS A 62 -13.523 12.397 16.271 1.00 0.75 C ATOM 688 CE LYS A 62 -14.076 13.087 17.504 1.00 0.93 C ATOM 689 NZ LYS A 62 -14.296 14.537 17.273 1.00 1.04 N ATOM 0 H LYS A 62 -13.028 8.265 13.430 1.00 0.46 H new ATOM 0 HA LYS A 62 -11.756 8.529 16.087 1.00 0.50 H new ATOM 0 HB2 LYS A 62 -11.930 10.654 14.875 1.00 0.57 H new ATOM 0 HB3 LYS A 62 -13.615 10.350 14.499 1.00 0.57 H new ATOM 0 HG2 LYS A 62 -14.156 10.457 16.936 1.00 0.63 H new ATOM 0 HG3 LYS A 62 -12.476 10.817 17.279 1.00 0.63 H new ATOM 0 HD2 LYS A 62 -12.598 12.885 15.964 1.00 0.75 H new ATOM 0 HD3 LYS A 62 -14.228 12.503 15.447 1.00 0.75 H new ATOM 0 HE2 LYS A 62 -15.017 12.618 17.792 1.00 0.93 H new ATOM 0 HE3 LYS A 62 -13.385 12.952 18.336 1.00 0.93 H new ATOM 0 HZ1 LYS A 62 -14.674 14.973 18.138 1.00 1.04 H new ATOM 0 HZ2 LYS A 62 -13.394 14.990 17.023 1.00 1.04 H new ATOM 0 HZ3 LYS A 62 -14.975 14.666 16.495 1.00 1.04 H new ATOM 703 N ASP A 63 -13.681 7.731 17.379 1.00 0.53 N ATOM 704 CA ASP A 63 -14.772 7.151 18.148 1.00 0.55 C ATOM 705 C ASP A 63 -15.736 8.259 18.564 1.00 0.57 C ATOM 706 O ASP A 63 -15.311 9.299 19.064 1.00 0.62 O ATOM 707 CB ASP A 63 -14.235 6.414 19.378 1.00 0.61 C ATOM 708 CG ASP A 63 -15.297 6.204 20.437 1.00 0.65 C ATOM 709 OD1 ASP A 63 -16.386 5.697 20.104 1.00 1.09 O ATOM 710 OD2 ASP A 63 -15.053 6.565 21.609 1.00 0.92 O ATOM 0 H ASP A 63 -12.816 7.857 17.904 1.00 0.53 H new ATOM 0 HA ASP A 63 -15.301 6.425 17.530 1.00 0.55 H new ATOM 0 HB2 ASP A 63 -13.835 5.447 19.072 1.00 0.61 H new ATOM 0 HB3 ASP A 63 -13.408 6.981 19.805 1.00 0.61 H new ATOM 715 N ARG A 64 -17.025 8.032 18.366 1.00 0.58 N ATOM 716 CA ARG A 64 -18.032 9.035 18.692 1.00 0.61 C ATOM 717 C ARG A 64 -18.474 8.952 20.149 1.00 0.66 C ATOM 718 O ARG A 64 -19.273 9.768 20.603 1.00 0.75 O ATOM 719 CB ARG A 64 -19.240 8.891 17.772 1.00 0.63 C ATOM 720 CG ARG A 64 -18.906 9.101 16.306 1.00 0.63 C ATOM 721 CD ARG A 64 -20.019 8.599 15.405 1.00 0.65 C ATOM 722 NE ARG A 64 -21.218 9.425 15.509 1.00 0.78 N ATOM 723 CZ ARG A 64 -22.460 8.950 15.414 1.00 0.91 C ATOM 724 NH1 ARG A 64 -22.669 7.652 15.229 1.00 0.99 N ATOM 725 NH2 ARG A 64 -23.491 9.776 15.498 1.00 1.14 N ATOM 0 H ARG A 64 -17.400 7.165 17.982 1.00 0.58 H new ATOM 0 HA ARG A 64 -17.575 10.013 18.541 1.00 0.61 H new ATOM 0 HB2 ARG A 64 -19.670 7.898 17.901 1.00 0.63 H new ATOM 0 HB3 ARG A 64 -20.003 9.610 18.070 1.00 0.63 H new ATOM 0 HG2 ARG A 64 -18.735 10.161 16.119 1.00 0.63 H new ATOM 0 HG3 ARG A 64 -17.979 8.581 16.065 1.00 0.63 H new ATOM 0 HD2 ARG A 64 -19.673 8.590 14.371 1.00 0.65 H new ATOM 0 HD3 ARG A 64 -20.263 7.570 15.669 1.00 0.65 H new ATOM 0 HE ARG A 64 -21.098 10.426 15.664 1.00 0.78 H new ATOM 0 HH11 ARG A 64 -21.877 7.013 15.159 1.00 0.99 H new ATOM 0 HH12 ARG A 64 -23.621 7.294 15.157 1.00 0.99 H new ATOM 0 HH21 ARG A 64 -23.335 10.775 15.635 1.00 1.14 H new ATOM 0 HH22 ARG A 64 -24.442 9.414 15.425 1.00 1.14 H new ATOM 739 N THR A 65 -17.961 7.971 20.877 1.00 0.68 N ATOM 740 CA THR A 65 -18.318 7.808 22.278 1.00 0.74 C ATOM 741 C THR A 65 -17.447 8.691 23.170 1.00 0.75 C ATOM 742 O THR A 65 -17.954 9.495 23.957 1.00 0.83 O ATOM 743 CB THR A 65 -18.181 6.339 22.721 1.00 0.76 C ATOM 744 OG1 THR A 65 -18.462 5.468 21.615 1.00 0.88 O ATOM 745 CG2 THR A 65 -19.130 6.031 23.870 1.00 0.93 C ATOM 0 H THR A 65 -17.300 7.280 20.523 1.00 0.68 H new ATOM 0 HA THR A 65 -19.360 8.112 22.383 1.00 0.74 H new ATOM 0 HB THR A 65 -17.159 6.176 23.062 1.00 0.76 H new ATOM 0 HG1 THR A 65 -17.621 5.190 21.196 1.00 0.88 H new ATOM 0 HG21 THR A 65 -19.016 4.988 24.166 1.00 0.93 H new ATOM 0 HG22 THR A 65 -18.897 6.677 24.717 1.00 0.93 H new ATOM 0 HG23 THR A 65 -20.157 6.207 23.551 1.00 0.93 H new ATOM 753 N SER A 66 -16.136 8.536 23.046 1.00 0.71 N ATOM 754 CA SER A 66 -15.197 9.315 23.836 1.00 0.75 C ATOM 755 C SER A 66 -14.735 10.552 23.068 1.00 0.73 C ATOM 756 O SER A 66 -14.399 11.577 23.664 1.00 0.79 O ATOM 757 CB SER A 66 -13.988 8.455 24.216 1.00 0.75 C ATOM 758 OG SER A 66 -13.351 7.928 23.061 1.00 0.75 O ATOM 0 H SER A 66 -15.699 7.875 22.403 1.00 0.71 H new ATOM 0 HA SER A 66 -15.704 9.642 24.744 1.00 0.75 H new ATOM 0 HB2 SER A 66 -13.277 9.053 24.786 1.00 0.75 H new ATOM 0 HB3 SER A 66 -14.308 7.638 24.863 1.00 0.75 H new ATOM 0 HG SER A 66 -13.871 7.172 22.717 1.00 0.75 H new ATOM 764 N GLY A 67 -14.727 10.448 21.742 1.00 0.67 N ATOM 765 CA GLY A 67 -14.296 11.554 20.913 1.00 0.67 C ATOM 766 C GLY A 67 -12.813 11.480 20.606 1.00 0.65 C ATOM 767 O GLY A 67 -12.211 12.459 20.166 1.00 0.70 O ATOM 0 H GLY A 67 -15.013 9.614 21.228 1.00 0.67 H new ATOM 0 HA2 GLY A 67 -14.861 11.552 19.981 1.00 0.67 H new ATOM 0 HA3 GLY A 67 -14.517 12.495 21.418 1.00 0.67 H new ATOM 771 N ASN A 68 -12.225 10.314 20.839 1.00 0.63 N ATOM 772 CA ASN A 68 -10.803 10.111 20.598 1.00 0.63 C ATOM 773 C ASN A 68 -10.548 9.560 19.203 1.00 0.58 C ATOM 774 O ASN A 68 -11.342 8.777 18.676 1.00 0.58 O ATOM 775 CB ASN A 68 -10.212 9.148 21.635 1.00 0.68 C ATOM 776 CG ASN A 68 -9.942 9.816 22.969 1.00 0.85 C ATOM 777 OD1 ASN A 68 -8.910 10.461 23.152 1.00 1.01 O ATOM 778 ND2 ASN A 68 -10.857 9.651 23.912 1.00 1.01 N ATOM 0 H ASN A 68 -12.713 9.492 21.196 1.00 0.63 H new ATOM 0 HA ASN A 68 -10.319 11.084 20.684 1.00 0.63 H new ATOM 0 HB2 ASN A 68 -10.899 8.315 21.783 1.00 0.68 H new ATOM 0 HB3 ASN A 68 -9.283 8.730 21.248 1.00 0.68 H new ATOM 0 HD21 ASN A 68 -10.720 10.067 24.833 1.00 1.01 H new ATOM 0 HD22 ASN A 68 -11.698 9.108 23.717 1.00 1.01 H new ATOM 785 N VAL A 69 -9.446 9.986 18.604 1.00 0.56 N ATOM 786 CA VAL A 69 -9.066 9.522 17.280 1.00 0.53 C ATOM 787 C VAL A 69 -8.055 8.388 17.414 1.00 0.51 C ATOM 788 O VAL A 69 -6.907 8.613 17.802 1.00 0.59 O ATOM 789 CB VAL A 69 -8.459 10.660 16.431 1.00 0.57 C ATOM 790 CG1 VAL A 69 -8.204 10.190 15.008 1.00 0.60 C ATOM 791 CG2 VAL A 69 -9.366 11.884 16.436 1.00 0.63 C ATOM 0 H VAL A 69 -8.797 10.656 19.017 1.00 0.56 H new ATOM 0 HA VAL A 69 -9.964 9.169 16.773 1.00 0.53 H new ATOM 0 HB VAL A 69 -7.505 10.942 16.876 1.00 0.57 H new ATOM 0 HG11 VAL A 69 -7.776 11.007 14.426 1.00 0.60 H new ATOM 0 HG12 VAL A 69 -7.509 9.351 15.021 1.00 0.60 H new ATOM 0 HG13 VAL A 69 -9.144 9.875 14.555 1.00 0.60 H new ATOM 0 HG21 VAL A 69 -8.917 12.672 15.831 1.00 0.63 H new ATOM 0 HG22 VAL A 69 -10.338 11.618 16.022 1.00 0.63 H new ATOM 0 HG23 VAL A 69 -9.492 12.239 17.459 1.00 0.63 H new ATOM 801 N GLU A 70 -8.485 7.174 17.098 1.00 0.49 N ATOM 802 CA GLU A 70 -7.624 6.004 17.215 1.00 0.51 C ATOM 803 C GLU A 70 -6.612 5.942 16.078 1.00 0.50 C ATOM 804 O GLU A 70 -5.414 6.145 16.285 1.00 0.62 O ATOM 805 CB GLU A 70 -8.454 4.718 17.222 1.00 0.55 C ATOM 806 CG GLU A 70 -9.517 4.672 18.306 1.00 0.81 C ATOM 807 CD GLU A 70 -9.873 3.255 18.708 1.00 0.68 C ATOM 808 OE1 GLU A 70 -10.092 2.404 17.820 1.00 0.69 O ATOM 809 OE2 GLU A 70 -9.935 2.976 19.922 1.00 0.71 O ATOM 0 H GLU A 70 -9.426 6.973 16.758 1.00 0.49 H new ATOM 0 HA GLU A 70 -7.086 6.094 18.159 1.00 0.51 H new ATOM 0 HB2 GLU A 70 -8.936 4.604 16.251 1.00 0.55 H new ATOM 0 HB3 GLU A 70 -7.785 3.867 17.348 1.00 0.55 H new ATOM 0 HG2 GLU A 70 -9.163 5.217 19.181 1.00 0.81 H new ATOM 0 HG3 GLU A 70 -10.413 5.183 17.954 1.00 0.81 H new ATOM 816 N ASP A 71 -7.105 5.662 14.886 1.00 0.47 N ATOM 817 CA ASP A 71 -6.254 5.543 13.710 1.00 0.46 C ATOM 818 C ASP A 71 -6.054 6.888 13.038 1.00 0.43 C ATOM 819 O ASP A 71 -6.953 7.727 13.049 1.00 0.46 O ATOM 820 CB ASP A 71 -6.866 4.561 12.711 1.00 0.51 C ATOM 821 CG ASP A 71 -6.970 3.154 13.259 1.00 0.57 C ATOM 822 OD1 ASP A 71 -7.988 2.841 13.912 1.00 0.61 O ATOM 823 OD2 ASP A 71 -6.035 2.353 13.035 1.00 0.73 O ATOM 0 H ASP A 71 -8.097 5.511 14.703 1.00 0.47 H new ATOM 0 HA ASP A 71 -5.283 5.172 14.039 1.00 0.46 H new ATOM 0 HB2 ASP A 71 -7.859 4.910 12.428 1.00 0.51 H new ATOM 0 HB3 ASP A 71 -6.262 4.549 11.804 1.00 0.51 H new ATOM 828 N ASP A 72 -4.872 7.083 12.459 1.00 0.43 N ATOM 829 CA ASP A 72 -4.537 8.320 11.764 1.00 0.42 C ATOM 830 C ASP A 72 -3.352 8.090 10.840 1.00 0.42 C ATOM 831 O ASP A 72 -2.200 8.084 11.285 1.00 0.52 O ATOM 832 CB ASP A 72 -4.207 9.435 12.762 1.00 0.48 C ATOM 833 CG ASP A 72 -4.124 10.808 12.116 1.00 0.59 C ATOM 834 OD1 ASP A 72 -4.221 10.909 10.874 1.00 1.05 O ATOM 835 OD2 ASP A 72 -3.979 11.803 12.859 1.00 0.99 O ATOM 0 H ASP A 72 -4.123 6.390 12.459 1.00 0.43 H new ATOM 0 HA ASP A 72 -5.402 8.628 11.176 1.00 0.42 H new ATOM 0 HB2 ASP A 72 -4.968 9.453 13.542 1.00 0.48 H new ATOM 0 HB3 ASP A 72 -3.257 9.210 13.248 1.00 0.48 H new ATOM 840 N LEU A 73 -3.637 7.878 9.565 1.00 0.36 N ATOM 841 CA LEU A 73 -2.592 7.643 8.581 1.00 0.38 C ATOM 842 C LEU A 73 -2.622 8.701 7.491 1.00 0.34 C ATOM 843 O LEU A 73 -3.608 9.423 7.332 1.00 0.42 O ATOM 844 CB LEU A 73 -2.745 6.259 7.950 1.00 0.44 C ATOM 845 CG LEU A 73 -2.329 5.082 8.835 1.00 0.66 C ATOM 846 CD1 LEU A 73 -2.514 3.771 8.090 1.00 0.93 C ATOM 847 CD2 LEU A 73 -0.885 5.228 9.288 1.00 0.92 C ATOM 0 H LEU A 73 -4.584 7.864 9.187 1.00 0.36 H new ATOM 0 HA LEU A 73 -1.635 7.697 9.099 1.00 0.38 H new ATOM 0 HB2 LEU A 73 -3.787 6.124 7.662 1.00 0.44 H new ATOM 0 HB3 LEU A 73 -2.154 6.229 7.034 1.00 0.44 H new ATOM 0 HG LEU A 73 -2.967 5.079 9.719 1.00 0.66 H new ATOM 0 HD11 LEU A 73 -2.214 2.942 8.732 1.00 0.93 H new ATOM 0 HD12 LEU A 73 -3.562 3.655 7.813 1.00 0.93 H new ATOM 0 HD13 LEU A 73 -1.899 3.774 7.190 1.00 0.93 H new ATOM 0 HD21 LEU A 73 -0.613 4.379 9.916 1.00 0.92 H new ATOM 0 HD22 LEU A 73 -0.232 5.259 8.416 1.00 0.92 H new ATOM 0 HD23 LEU A 73 -0.774 6.151 9.857 1.00 0.92 H new ATOM 859 N ILE A 74 -1.532 8.790 6.748 1.00 0.29 N ATOM 860 CA ILE A 74 -1.419 9.745 5.660 1.00 0.28 C ATOM 861 C ILE A 74 -1.543 9.014 4.327 1.00 0.30 C ATOM 862 O ILE A 74 -0.772 8.110 4.043 1.00 0.51 O ATOM 863 CB ILE A 74 -0.078 10.503 5.730 1.00 0.30 C ATOM 864 CG1 ILE A 74 0.078 11.175 7.099 1.00 0.43 C ATOM 865 CG2 ILE A 74 0.011 11.530 4.614 1.00 0.33 C ATOM 866 CD1 ILE A 74 1.425 11.836 7.308 1.00 0.59 C ATOM 0 H ILE A 74 -0.706 8.206 6.881 1.00 0.29 H new ATOM 0 HA ILE A 74 -2.223 10.475 5.750 1.00 0.28 H new ATOM 0 HB ILE A 74 0.735 9.789 5.600 1.00 0.30 H new ATOM 0 HG12 ILE A 74 -0.705 11.924 7.217 1.00 0.43 H new ATOM 0 HG13 ILE A 74 -0.075 10.429 7.879 1.00 0.43 H new ATOM 0 HG21 ILE A 74 0.964 12.056 4.678 1.00 0.33 H new ATOM 0 HG22 ILE A 74 -0.061 11.027 3.650 1.00 0.33 H new ATOM 0 HG23 ILE A 74 -0.806 12.245 4.712 1.00 0.33 H new ATOM 0 HD11 ILE A 74 1.458 12.289 8.299 1.00 0.59 H new ATOM 0 HD12 ILE A 74 2.214 11.089 7.224 1.00 0.59 H new ATOM 0 HD13 ILE A 74 1.573 12.607 6.552 1.00 0.59 H new ATOM 878 N ILE A 75 -2.511 9.402 3.516 1.00 0.24 N ATOM 879 CA ILE A 75 -2.743 8.736 2.240 1.00 0.23 C ATOM 880 C ILE A 75 -2.146 9.508 1.064 1.00 0.24 C ATOM 881 O ILE A 75 -2.058 10.736 1.088 1.00 0.26 O ATOM 882 CB ILE A 75 -4.252 8.522 1.991 1.00 0.27 C ATOM 883 CG1 ILE A 75 -4.946 8.039 3.271 1.00 0.28 C ATOM 884 CG2 ILE A 75 -4.473 7.532 0.856 1.00 0.32 C ATOM 885 CD1 ILE A 75 -4.432 6.711 3.797 1.00 0.31 C ATOM 0 H ILE A 75 -3.149 10.172 3.714 1.00 0.24 H new ATOM 0 HA ILE A 75 -2.242 7.770 2.305 1.00 0.23 H new ATOM 0 HB ILE A 75 -4.691 9.477 1.702 1.00 0.27 H new ATOM 0 HG12 ILE A 75 -4.822 8.796 4.045 1.00 0.28 H new ATOM 0 HG13 ILE A 75 -6.015 7.951 3.080 1.00 0.28 H new ATOM 0 HG21 ILE A 75 -5.542 7.395 0.696 1.00 0.32 H new ATOM 0 HG22 ILE A 75 -4.016 7.916 -0.056 1.00 0.32 H new ATOM 0 HG23 ILE A 75 -4.019 6.575 1.114 1.00 0.32 H new ATOM 0 HD11 ILE A 75 -4.976 6.443 4.703 1.00 0.31 H new ATOM 0 HD12 ILE A 75 -4.581 5.938 3.043 1.00 0.31 H new ATOM 0 HD13 ILE A 75 -3.369 6.796 4.024 1.00 0.31 H new ATOM 897 N PHE A 76 -1.734 8.762 0.042 1.00 0.27 N ATOM 898 CA PHE A 76 -1.155 9.324 -1.173 1.00 0.31 C ATOM 899 C PHE A 76 -1.723 8.582 -2.385 1.00 0.32 C ATOM 900 O PHE A 76 -2.302 7.501 -2.236 1.00 0.35 O ATOM 901 CB PHE A 76 0.374 9.180 -1.167 1.00 0.34 C ATOM 902 CG PHE A 76 1.045 9.598 0.108 1.00 0.39 C ATOM 903 CD1 PHE A 76 1.237 8.687 1.133 1.00 0.40 C ATOM 904 CD2 PHE A 76 1.500 10.894 0.277 1.00 0.50 C ATOM 905 CE1 PHE A 76 1.867 9.059 2.302 1.00 0.50 C ATOM 906 CE2 PHE A 76 2.133 11.273 1.442 1.00 0.58 C ATOM 907 CZ PHE A 76 2.317 10.357 2.456 1.00 0.58 C ATOM 0 H PHE A 76 -1.793 7.744 0.035 1.00 0.27 H new ATOM 0 HA PHE A 76 -1.405 10.384 -1.222 1.00 0.31 H new ATOM 0 HB2 PHE A 76 0.627 8.139 -1.369 1.00 0.34 H new ATOM 0 HB3 PHE A 76 0.783 9.772 -1.986 1.00 0.34 H new ATOM 0 HD1 PHE A 76 0.889 7.671 1.015 1.00 0.40 H new ATOM 0 HD2 PHE A 76 1.358 11.617 -0.513 1.00 0.50 H new ATOM 0 HE1 PHE A 76 2.008 8.339 3.094 1.00 0.50 H new ATOM 0 HE2 PHE A 76 2.485 12.287 1.560 1.00 0.58 H new ATOM 0 HZ PHE A 76 2.812 10.653 3.369 1.00 0.58 H new ATOM 917 N PRO A 77 -1.577 9.139 -3.603 1.00 0.36 N ATOM 918 CA PRO A 77 -2.064 8.490 -4.825 1.00 0.38 C ATOM 919 C PRO A 77 -1.334 7.174 -5.090 1.00 0.33 C ATOM 920 O PRO A 77 -0.110 7.098 -4.942 1.00 0.33 O ATOM 921 CB PRO A 77 -1.754 9.508 -5.931 1.00 0.45 C ATOM 922 CG PRO A 77 -1.526 10.801 -5.227 1.00 0.55 C ATOM 923 CD PRO A 77 -0.950 10.442 -3.889 1.00 0.44 C ATOM 0 HA PRO A 77 -3.122 8.234 -4.761 1.00 0.38 H new ATOM 0 HB2 PRO A 77 -0.874 9.211 -6.502 1.00 0.45 H new ATOM 0 HB3 PRO A 77 -2.581 9.585 -6.637 1.00 0.45 H new ATOM 0 HG2 PRO A 77 -0.842 11.437 -5.789 1.00 0.55 H new ATOM 0 HG3 PRO A 77 -2.458 11.355 -5.116 1.00 0.55 H new ATOM 0 HD2 PRO A 77 0.137 10.369 -3.923 1.00 0.44 H new ATOM 0 HD3 PRO A 77 -1.196 11.185 -3.130 1.00 0.44 H new ATOM 931 N ASP A 78 -2.104 6.141 -5.450 1.00 0.40 N ATOM 932 CA ASP A 78 -1.576 4.794 -5.737 1.00 0.46 C ATOM 933 C ASP A 78 -1.167 4.078 -4.446 1.00 0.45 C ATOM 934 O ASP A 78 -0.692 2.945 -4.479 1.00 0.60 O ATOM 935 CB ASP A 78 -0.380 4.842 -6.720 1.00 0.53 C ATOM 936 CG ASP A 78 0.004 3.475 -7.267 1.00 0.98 C ATOM 937 OD1 ASP A 78 -0.738 2.934 -8.116 1.00 1.34 O ATOM 938 OD2 ASP A 78 1.063 2.940 -6.863 1.00 1.36 O ATOM 0 H ASP A 78 -3.116 6.212 -5.552 1.00 0.40 H new ATOM 0 HA ASP A 78 -2.380 4.231 -6.212 1.00 0.46 H new ATOM 0 HB2 ASP A 78 -0.628 5.502 -7.551 1.00 0.53 H new ATOM 0 HB3 ASP A 78 0.481 5.278 -6.213 1.00 0.53 H new ATOM 943 N ASP A 79 -1.375 4.724 -3.303 1.00 0.53 N ATOM 944 CA ASP A 79 -1.002 4.136 -2.015 1.00 0.61 C ATOM 945 C ASP A 79 -2.138 3.334 -1.391 1.00 0.59 C ATOM 946 O ASP A 79 -1.894 2.332 -0.718 1.00 1.11 O ATOM 947 CB ASP A 79 -0.545 5.216 -1.029 1.00 0.80 C ATOM 948 CG ASP A 79 0.960 5.245 -0.859 1.00 1.12 C ATOM 949 OD1 ASP A 79 1.532 4.247 -0.367 1.00 1.44 O ATOM 950 OD2 ASP A 79 1.584 6.255 -1.241 1.00 1.74 O ATOM 0 H ASP A 79 -1.797 5.650 -3.239 1.00 0.53 H new ATOM 0 HA ASP A 79 -0.177 3.454 -2.219 1.00 0.61 H new ATOM 0 HB2 ASP A 79 -0.887 6.190 -1.378 1.00 0.80 H new ATOM 0 HB3 ASP A 79 -1.014 5.041 -0.061 1.00 0.80 H new ATOM 955 N CYS A 80 -3.375 3.758 -1.602 1.00 0.50 N ATOM 956 CA CYS A 80 -4.512 3.059 -1.017 1.00 0.46 C ATOM 957 C CYS A 80 -5.595 2.737 -2.041 1.00 0.43 C ATOM 958 O CYS A 80 -5.843 3.503 -2.975 1.00 0.60 O ATOM 959 CB CYS A 80 -5.100 3.891 0.122 1.00 0.63 C ATOM 960 SG CYS A 80 -3.925 4.227 1.450 1.00 0.90 S ATOM 0 H CYS A 80 -3.617 4.572 -2.167 1.00 0.50 H new ATOM 0 HA CYS A 80 -4.144 2.108 -0.634 1.00 0.46 H new ATOM 0 HB2 CYS A 80 -5.462 4.837 -0.280 1.00 0.63 H new ATOM 0 HB3 CYS A 80 -5.963 3.369 0.535 1.00 0.63 H new ATOM 0 HG CYS A 80 -3.340 3.121 1.802 1.00 0.90 H new ATOM 966 N GLU A 81 -6.241 1.595 -1.840 1.00 0.34 N ATOM 967 CA GLU A 81 -7.307 1.129 -2.710 1.00 0.39 C ATOM 968 C GLU A 81 -8.505 0.684 -1.868 1.00 0.36 C ATOM 969 O GLU A 81 -8.457 -0.351 -1.201 1.00 0.45 O ATOM 970 CB GLU A 81 -6.792 -0.035 -3.559 1.00 0.49 C ATOM 971 CG GLU A 81 -7.464 -0.170 -4.911 1.00 0.74 C ATOM 972 CD GLU A 81 -6.753 -1.162 -5.804 1.00 0.94 C ATOM 973 OE1 GLU A 81 -6.823 -2.381 -5.521 1.00 1.15 O ATOM 974 OE2 GLU A 81 -6.107 -0.729 -6.783 1.00 1.32 O ATOM 0 H GLU A 81 -6.037 0.965 -1.064 1.00 0.34 H new ATOM 0 HA GLU A 81 -7.625 1.938 -3.368 1.00 0.39 H new ATOM 0 HB2 GLU A 81 -5.720 0.089 -3.711 1.00 0.49 H new ATOM 0 HB3 GLU A 81 -6.931 -0.963 -3.004 1.00 0.49 H new ATOM 0 HG2 GLU A 81 -8.498 -0.485 -4.771 1.00 0.74 H new ATOM 0 HG3 GLU A 81 -7.491 0.803 -5.401 1.00 0.74 H new ATOM 981 N PHE A 82 -9.568 1.476 -1.887 1.00 0.34 N ATOM 982 CA PHE A 82 -10.767 1.174 -1.112 1.00 0.32 C ATOM 983 C PHE A 82 -11.800 0.461 -1.978 1.00 0.33 C ATOM 984 O PHE A 82 -12.100 0.903 -3.090 1.00 0.42 O ATOM 985 CB PHE A 82 -11.355 2.468 -0.539 1.00 0.35 C ATOM 986 CG PHE A 82 -12.355 2.262 0.564 1.00 0.34 C ATOM 987 CD1 PHE A 82 -11.999 1.590 1.722 1.00 0.43 C ATOM 988 CD2 PHE A 82 -13.648 2.749 0.448 1.00 0.44 C ATOM 989 CE1 PHE A 82 -12.912 1.407 2.742 1.00 0.48 C ATOM 990 CE2 PHE A 82 -14.565 2.568 1.467 1.00 0.47 C ATOM 991 CZ PHE A 82 -14.197 1.897 2.613 1.00 0.43 C ATOM 0 H PHE A 82 -9.626 2.336 -2.432 1.00 0.34 H new ATOM 0 HA PHE A 82 -10.495 0.512 -0.290 1.00 0.32 H new ATOM 0 HB2 PHE A 82 -10.541 3.087 -0.163 1.00 0.35 H new ATOM 0 HB3 PHE A 82 -11.832 3.024 -1.346 1.00 0.35 H new ATOM 0 HD1 PHE A 82 -10.996 1.205 1.828 1.00 0.43 H new ATOM 0 HD2 PHE A 82 -13.942 3.275 -0.448 1.00 0.44 H new ATOM 0 HE1 PHE A 82 -12.622 0.881 3.640 1.00 0.48 H new ATOM 0 HE2 PHE A 82 -15.569 2.952 1.365 1.00 0.47 H new ATOM 0 HZ PHE A 82 -14.912 1.754 3.409 1.00 0.43 H new ATOM 1001 N LYS A 83 -12.345 -0.637 -1.467 1.00 0.34 N ATOM 1002 CA LYS A 83 -13.333 -1.415 -2.201 1.00 0.38 C ATOM 1003 C LYS A 83 -14.289 -2.120 -1.242 1.00 0.37 C ATOM 1004 O LYS A 83 -14.103 -2.077 -0.025 1.00 0.38 O ATOM 1005 CB LYS A 83 -12.629 -2.442 -3.093 1.00 0.46 C ATOM 1006 CG LYS A 83 -11.732 -3.401 -2.325 1.00 0.53 C ATOM 1007 CD LYS A 83 -10.782 -4.143 -3.251 1.00 0.69 C ATOM 1008 CE LYS A 83 -9.642 -3.248 -3.713 1.00 1.06 C ATOM 1009 NZ LYS A 83 -8.564 -4.021 -4.380 1.00 1.44 N ATOM 0 H LYS A 83 -12.118 -1.008 -0.545 1.00 0.34 H new ATOM 0 HA LYS A 83 -13.914 -0.736 -2.825 1.00 0.38 H new ATOM 0 HB2 LYS A 83 -13.380 -3.016 -3.635 1.00 0.46 H new ATOM 0 HB3 LYS A 83 -12.031 -1.916 -3.837 1.00 0.46 H new ATOM 0 HG2 LYS A 83 -11.158 -2.847 -1.582 1.00 0.53 H new ATOM 0 HG3 LYS A 83 -12.347 -4.119 -1.782 1.00 0.53 H new ATOM 0 HD2 LYS A 83 -10.377 -5.014 -2.736 1.00 0.69 H new ATOM 0 HD3 LYS A 83 -11.331 -4.512 -4.118 1.00 0.69 H new ATOM 0 HE2 LYS A 83 -10.028 -2.496 -4.401 1.00 1.06 H new ATOM 0 HE3 LYS A 83 -9.229 -2.715 -2.856 1.00 1.06 H new ATOM 0 HZ1 LYS A 83 -8.132 -3.440 -5.127 1.00 1.44 H new ATOM 0 HZ2 LYS A 83 -7.840 -4.281 -3.681 1.00 1.44 H new ATOM 0 HZ3 LYS A 83 -8.965 -4.884 -4.801 1.00 1.44 H new ATOM 1023 N ARG A 84 -15.304 -2.770 -1.800 1.00 0.42 N ATOM 1024 CA ARG A 84 -16.297 -3.488 -1.011 1.00 0.43 C ATOM 1025 C ARG A 84 -16.064 -4.989 -1.112 1.00 0.44 C ATOM 1026 O ARG A 84 -15.598 -5.480 -2.138 1.00 0.49 O ATOM 1027 CB ARG A 84 -17.714 -3.153 -1.506 1.00 0.47 C ATOM 1028 CG ARG A 84 -18.819 -3.758 -0.651 1.00 0.57 C ATOM 1029 CD ARG A 84 -20.199 -3.490 -1.234 1.00 0.61 C ATOM 1030 NE ARG A 84 -20.492 -4.359 -2.375 1.00 0.71 N ATOM 1031 CZ ARG A 84 -21.517 -5.218 -2.428 1.00 0.78 C ATOM 1032 NH1 ARG A 84 -22.352 -5.336 -1.400 1.00 0.88 N ATOM 1033 NH2 ARG A 84 -21.699 -5.958 -3.515 1.00 0.96 N ATOM 0 H ARG A 84 -15.461 -2.814 -2.807 1.00 0.42 H new ATOM 0 HA ARG A 84 -16.200 -3.180 0.030 1.00 0.43 H new ATOM 0 HB2 ARG A 84 -17.835 -2.070 -1.528 1.00 0.47 H new ATOM 0 HB3 ARG A 84 -17.825 -3.507 -2.531 1.00 0.47 H new ATOM 0 HG2 ARG A 84 -18.664 -4.833 -0.565 1.00 0.57 H new ATOM 0 HG3 ARG A 84 -18.765 -3.347 0.357 1.00 0.57 H new ATOM 0 HD2 ARG A 84 -20.954 -3.639 -0.462 1.00 0.61 H new ATOM 0 HD3 ARG A 84 -20.264 -2.448 -1.546 1.00 0.61 H new ATOM 0 HE ARG A 84 -19.873 -4.306 -3.184 1.00 0.71 H new ATOM 0 HH11 ARG A 84 -22.214 -4.770 -0.563 1.00 0.88 H new ATOM 0 HH12 ARG A 84 -23.131 -5.993 -1.448 1.00 0.88 H new ATOM 0 HH21 ARG A 84 -21.059 -5.870 -4.305 1.00 0.96 H new ATOM 0 HH22 ARG A 84 -22.479 -6.614 -3.561 1.00 0.96 H new ATOM 1047 N VAL A 85 -16.368 -5.706 -0.038 1.00 0.45 N ATOM 1048 CA VAL A 85 -16.218 -7.154 -0.014 1.00 0.49 C ATOM 1049 C VAL A 85 -17.568 -7.818 -0.286 1.00 0.55 C ATOM 1050 O VAL A 85 -18.424 -7.893 0.601 1.00 0.59 O ATOM 1051 CB VAL A 85 -15.670 -7.651 1.345 1.00 0.52 C ATOM 1052 CG1 VAL A 85 -15.347 -9.139 1.284 1.00 0.61 C ATOM 1053 CG2 VAL A 85 -14.441 -6.852 1.758 1.00 0.50 C ATOM 0 H VAL A 85 -16.721 -5.306 0.831 1.00 0.45 H new ATOM 0 HA VAL A 85 -15.502 -7.425 -0.789 1.00 0.49 H new ATOM 0 HB VAL A 85 -16.443 -7.499 2.098 1.00 0.52 H new ATOM 0 HG11 VAL A 85 -14.963 -9.468 2.250 1.00 0.61 H new ATOM 0 HG12 VAL A 85 -16.251 -9.698 1.043 1.00 0.61 H new ATOM 0 HG13 VAL A 85 -14.595 -9.317 0.515 1.00 0.61 H new ATOM 0 HG21 VAL A 85 -14.073 -7.219 2.716 1.00 0.50 H new ATOM 0 HG22 VAL A 85 -13.663 -6.965 1.003 1.00 0.50 H new ATOM 0 HG23 VAL A 85 -14.706 -5.799 1.851 1.00 0.50 H new ATOM 1063 N PRO A 86 -17.779 -8.310 -1.519 1.00 0.61 N ATOM 1064 CA PRO A 86 -19.030 -8.951 -1.912 1.00 0.69 C ATOM 1065 C PRO A 86 -19.092 -10.411 -1.480 1.00 0.68 C ATOM 1066 O PRO A 86 -20.041 -11.127 -1.801 1.00 0.77 O ATOM 1067 CB PRO A 86 -19.028 -8.848 -3.445 1.00 0.81 C ATOM 1068 CG PRO A 86 -17.703 -8.272 -3.845 1.00 0.80 C ATOM 1069 CD PRO A 86 -16.818 -8.294 -2.632 1.00 0.64 C ATOM 0 HA PRO A 86 -19.891 -8.475 -1.443 1.00 0.69 H new ATOM 0 HB2 PRO A 86 -19.174 -9.829 -3.897 1.00 0.81 H new ATOM 0 HB3 PRO A 86 -19.844 -8.213 -3.790 1.00 0.81 H new ATOM 0 HG2 PRO A 86 -17.260 -8.854 -4.654 1.00 0.80 H new ATOM 0 HG3 PRO A 86 -17.823 -7.253 -4.214 1.00 0.80 H new ATOM 0 HD2 PRO A 86 -16.172 -9.172 -2.620 1.00 0.64 H new ATOM 0 HD3 PRO A 86 -16.168 -7.420 -2.591 1.00 0.64 H new ATOM 1077 N GLN A 87 -18.079 -10.843 -0.741 1.00 0.67 N ATOM 1078 CA GLN A 87 -18.007 -12.214 -0.261 1.00 0.70 C ATOM 1079 C GLN A 87 -18.518 -12.308 1.172 1.00 0.70 C ATOM 1080 O GLN A 87 -18.505 -13.379 1.780 1.00 1.01 O ATOM 1081 CB GLN A 87 -16.567 -12.729 -0.335 1.00 0.78 C ATOM 1082 CG GLN A 87 -15.998 -12.769 -1.745 1.00 0.91 C ATOM 1083 CD GLN A 87 -16.856 -13.577 -2.695 1.00 1.00 C ATOM 1084 OE1 GLN A 87 -17.717 -13.035 -3.388 1.00 1.05 O ATOM 1085 NE2 GLN A 87 -16.633 -14.879 -2.729 1.00 1.21 N ATOM 0 H GLN A 87 -17.292 -10.258 -0.460 1.00 0.67 H new ATOM 0 HA GLN A 87 -18.638 -12.833 -0.899 1.00 0.70 H new ATOM 0 HB2 GLN A 87 -15.933 -12.095 0.284 1.00 0.78 H new ATOM 0 HB3 GLN A 87 -16.528 -13.732 0.091 1.00 0.78 H new ATOM 0 HG2 GLN A 87 -15.902 -11.751 -2.123 1.00 0.91 H new ATOM 0 HG3 GLN A 87 -14.995 -13.194 -1.716 1.00 0.91 H new ATOM 0 HE21 GLN A 87 -15.909 -15.288 -2.138 1.00 1.21 H new ATOM 0 HE22 GLN A 87 -17.185 -15.475 -3.346 1.00 1.21 H new ATOM 1094 N CYS A 88 -18.960 -11.182 1.709 1.00 0.73 N ATOM 1095 CA CYS A 88 -19.475 -11.144 3.067 1.00 0.71 C ATOM 1096 C CYS A 88 -21.000 -11.082 3.052 1.00 0.71 C ATOM 1097 O CYS A 88 -21.581 -10.281 2.320 1.00 0.74 O ATOM 1098 CB CYS A 88 -18.901 -9.944 3.823 1.00 0.73 C ATOM 1099 SG CYS A 88 -18.981 -10.105 5.622 1.00 1.44 S ATOM 0 H CYS A 88 -18.972 -10.284 1.226 1.00 0.73 H new ATOM 0 HA CYS A 88 -19.168 -12.055 3.581 1.00 0.71 H new ATOM 0 HB2 CYS A 88 -17.862 -9.804 3.526 1.00 0.73 H new ATOM 0 HB3 CYS A 88 -19.442 -9.046 3.524 1.00 0.73 H new ATOM 0 HG CYS A 88 -20.007 -9.445 6.072 1.00 1.44 H new ATOM 1105 N PRO A 89 -21.664 -11.927 3.868 1.00 0.75 N ATOM 1106 CA PRO A 89 -23.133 -11.981 3.949 1.00 0.79 C ATOM 1107 C PRO A 89 -23.782 -10.619 4.209 1.00 0.74 C ATOM 1108 O PRO A 89 -24.889 -10.346 3.732 1.00 0.79 O ATOM 1109 CB PRO A 89 -23.390 -12.926 5.125 1.00 0.88 C ATOM 1110 CG PRO A 89 -22.175 -13.779 5.215 1.00 0.92 C ATOM 1111 CD PRO A 89 -21.025 -12.920 4.764 1.00 0.81 C ATOM 0 HA PRO A 89 -23.567 -12.311 3.005 1.00 0.79 H new ATOM 0 HB2 PRO A 89 -23.550 -12.370 6.049 1.00 0.88 H new ATOM 0 HB3 PRO A 89 -24.282 -13.529 4.957 1.00 0.88 H new ATOM 0 HG2 PRO A 89 -22.021 -14.131 6.235 1.00 0.92 H new ATOM 0 HG3 PRO A 89 -22.272 -14.662 4.584 1.00 0.92 H new ATOM 0 HD2 PRO A 89 -20.529 -12.439 5.607 1.00 0.81 H new ATOM 0 HD3 PRO A 89 -20.269 -13.505 4.240 1.00 0.81 H new ATOM 1119 N SER A 90 -23.101 -9.775 4.970 1.00 0.71 N ATOM 1120 CA SER A 90 -23.612 -8.449 5.280 1.00 0.71 C ATOM 1121 C SER A 90 -23.663 -7.585 4.022 1.00 0.65 C ATOM 1122 O SER A 90 -24.639 -6.878 3.777 1.00 0.72 O ATOM 1123 CB SER A 90 -22.736 -7.793 6.346 1.00 0.75 C ATOM 1124 OG SER A 90 -21.462 -8.417 6.420 1.00 0.85 O ATOM 0 H SER A 90 -22.193 -9.985 5.384 1.00 0.71 H new ATOM 0 HA SER A 90 -24.627 -8.544 5.666 1.00 0.71 H new ATOM 0 HB2 SER A 90 -22.613 -6.734 6.118 1.00 0.75 H new ATOM 0 HB3 SER A 90 -23.231 -7.855 7.315 1.00 0.75 H new ATOM 0 HG SER A 90 -20.921 -7.976 7.109 1.00 0.85 H new ATOM 1130 N GLY A 91 -22.602 -7.657 3.223 1.00 0.60 N ATOM 1131 CA GLY A 91 -22.538 -6.891 1.991 1.00 0.60 C ATOM 1132 C GLY A 91 -22.142 -5.442 2.210 1.00 0.57 C ATOM 1133 O GLY A 91 -21.917 -4.700 1.255 1.00 0.64 O ATOM 0 H GLY A 91 -21.782 -8.235 3.408 1.00 0.60 H new ATOM 0 HA2 GLY A 91 -21.821 -7.359 1.316 1.00 0.60 H new ATOM 0 HA3 GLY A 91 -23.510 -6.925 1.498 1.00 0.60 H new ATOM 1137 N ARG A 92 -22.048 -5.037 3.470 1.00 0.52 N ATOM 1138 CA ARG A 92 -21.690 -3.665 3.804 1.00 0.51 C ATOM 1139 C ARG A 92 -20.277 -3.596 4.360 1.00 0.48 C ATOM 1140 O ARG A 92 -19.891 -2.611 4.993 1.00 0.48 O ATOM 1141 CB ARG A 92 -22.675 -3.085 4.813 1.00 0.54 C ATOM 1142 CG ARG A 92 -24.118 -3.181 4.366 1.00 0.58 C ATOM 1143 CD ARG A 92 -25.016 -2.321 5.233 1.00 0.61 C ATOM 1144 NE ARG A 92 -24.855 -0.901 4.941 1.00 0.59 N ATOM 1145 CZ ARG A 92 -25.390 0.068 5.676 1.00 0.59 C ATOM 1146 NH1 ARG A 92 -26.118 -0.224 6.749 1.00 0.62 N ATOM 1147 NH2 ARG A 92 -25.209 1.332 5.333 1.00 0.60 N ATOM 0 H ARG A 92 -22.215 -5.639 4.277 1.00 0.52 H new ATOM 0 HA ARG A 92 -21.733 -3.074 2.889 1.00 0.51 H new ATOM 0 HB2 ARG A 92 -22.561 -3.607 5.763 1.00 0.54 H new ATOM 0 HB3 ARG A 92 -22.427 -2.039 4.993 1.00 0.54 H new ATOM 0 HG2 ARG A 92 -24.201 -2.866 3.326 1.00 0.58 H new ATOM 0 HG3 ARG A 92 -24.448 -4.219 4.412 1.00 0.58 H new ATOM 0 HD2 ARG A 92 -26.056 -2.608 5.076 1.00 0.61 H new ATOM 0 HD3 ARG A 92 -24.790 -2.504 6.283 1.00 0.61 H new ATOM 0 HE ARG A 92 -24.300 -0.637 4.127 1.00 0.59 H new ATOM 0 HH11 ARG A 92 -26.269 -1.198 7.013 1.00 0.62 H new ATOM 0 HH12 ARG A 92 -26.525 0.525 7.308 1.00 0.62 H new ATOM 0 HH21 ARG A 92 -24.659 1.562 4.505 1.00 0.60 H new ATOM 0 HH22 ARG A 92 -25.619 2.077 5.896 1.00 0.60 H new ATOM 1161 N VAL A 93 -19.509 -4.650 4.131 1.00 0.47 N ATOM 1162 CA VAL A 93 -18.135 -4.703 4.600 1.00 0.45 C ATOM 1163 C VAL A 93 -17.204 -4.170 3.523 1.00 0.41 C ATOM 1164 O VAL A 93 -17.139 -4.709 2.418 1.00 0.43 O ATOM 1165 CB VAL A 93 -17.719 -6.136 4.994 1.00 0.48 C ATOM 1166 CG1 VAL A 93 -16.235 -6.200 5.337 1.00 0.47 C ATOM 1167 CG2 VAL A 93 -18.559 -6.633 6.162 1.00 0.56 C ATOM 0 H VAL A 93 -19.815 -5.480 3.623 1.00 0.47 H new ATOM 0 HA VAL A 93 -18.062 -4.081 5.492 1.00 0.45 H new ATOM 0 HB VAL A 93 -17.896 -6.787 4.138 1.00 0.48 H new ATOM 0 HG11 VAL A 93 -15.969 -7.221 5.611 1.00 0.47 H new ATOM 0 HG12 VAL A 93 -15.648 -5.892 4.472 1.00 0.47 H new ATOM 0 HG13 VAL A 93 -16.026 -5.533 6.174 1.00 0.47 H new ATOM 0 HG21 VAL A 93 -18.252 -7.645 6.426 1.00 0.56 H new ATOM 0 HG22 VAL A 93 -18.416 -5.975 7.019 1.00 0.56 H new ATOM 0 HG23 VAL A 93 -19.611 -6.636 5.878 1.00 0.56 H new ATOM 1177 N TYR A 94 -16.512 -3.092 3.841 1.00 0.39 N ATOM 1178 CA TYR A 94 -15.585 -2.471 2.917 1.00 0.37 C ATOM 1179 C TYR A 94 -14.159 -2.650 3.428 1.00 0.35 C ATOM 1180 O TYR A 94 -13.952 -2.860 4.623 1.00 0.37 O ATOM 1181 CB TYR A 94 -15.927 -0.986 2.760 1.00 0.38 C ATOM 1182 CG TYR A 94 -17.164 -0.730 1.919 1.00 0.41 C ATOM 1183 CD1 TYR A 94 -18.439 -0.980 2.417 1.00 0.44 C ATOM 1184 CD2 TYR A 94 -17.053 -0.248 0.622 1.00 0.42 C ATOM 1185 CE1 TYR A 94 -19.563 -0.764 1.643 1.00 0.47 C ATOM 1186 CE2 TYR A 94 -18.173 -0.023 -0.156 1.00 0.46 C ATOM 1187 CZ TYR A 94 -19.426 -0.286 0.356 1.00 0.48 C ATOM 1188 OH TYR A 94 -20.545 -0.076 -0.423 1.00 0.53 O ATOM 0 H TYR A 94 -16.577 -2.624 4.745 1.00 0.39 H new ATOM 0 HA TYR A 94 -15.666 -2.946 1.939 1.00 0.37 H new ATOM 0 HB2 TYR A 94 -16.074 -0.550 3.748 1.00 0.38 H new ATOM 0 HB3 TYR A 94 -15.078 -0.473 2.308 1.00 0.38 H new ATOM 0 HD1 TYR A 94 -18.552 -1.349 3.426 1.00 0.44 H new ATOM 0 HD2 TYR A 94 -16.074 -0.045 0.214 1.00 0.42 H new ATOM 0 HE1 TYR A 94 -20.545 -0.968 2.044 1.00 0.47 H new ATOM 0 HE2 TYR A 94 -18.067 0.357 -1.161 1.00 0.46 H new ATOM 0 HH TYR A 94 -20.310 -0.182 -1.368 1.00 0.53 H new ATOM 1198 N VAL A 95 -13.180 -2.564 2.540 1.00 0.34 N ATOM 1199 CA VAL A 95 -11.794 -2.745 2.938 1.00 0.33 C ATOM 1200 C VAL A 95 -10.854 -1.792 2.199 1.00 0.31 C ATOM 1201 O VAL A 95 -10.993 -1.554 0.995 1.00 0.31 O ATOM 1202 CB VAL A 95 -11.338 -4.211 2.717 1.00 0.36 C ATOM 1203 CG1 VAL A 95 -11.499 -4.624 1.261 1.00 0.38 C ATOM 1204 CG2 VAL A 95 -9.900 -4.410 3.179 1.00 0.38 C ATOM 0 H VAL A 95 -13.318 -2.372 1.548 1.00 0.34 H new ATOM 0 HA VAL A 95 -11.741 -2.512 4.001 1.00 0.33 H new ATOM 0 HB VAL A 95 -11.981 -4.852 3.320 1.00 0.36 H new ATOM 0 HG11 VAL A 95 -11.171 -5.656 1.137 1.00 0.38 H new ATOM 0 HG12 VAL A 95 -12.547 -4.539 0.972 1.00 0.38 H new ATOM 0 HG13 VAL A 95 -10.895 -3.973 0.629 1.00 0.38 H new ATOM 0 HG21 VAL A 95 -9.605 -5.446 3.013 1.00 0.38 H new ATOM 0 HG22 VAL A 95 -9.242 -3.750 2.614 1.00 0.38 H new ATOM 0 HG23 VAL A 95 -9.823 -4.176 4.241 1.00 0.38 H new ATOM 1214 N LEU A 96 -9.927 -1.220 2.952 1.00 0.31 N ATOM 1215 CA LEU A 96 -8.924 -0.319 2.414 1.00 0.30 C ATOM 1216 C LEU A 96 -7.603 -1.067 2.316 1.00 0.30 C ATOM 1217 O LEU A 96 -6.948 -1.320 3.329 1.00 0.38 O ATOM 1218 CB LEU A 96 -8.773 0.915 3.310 1.00 0.34 C ATOM 1219 CG LEU A 96 -7.817 1.993 2.789 1.00 0.37 C ATOM 1220 CD1 LEU A 96 -8.463 2.791 1.671 1.00 0.43 C ATOM 1221 CD2 LEU A 96 -7.383 2.912 3.916 1.00 0.44 C ATOM 0 H LEU A 96 -9.850 -1.370 3.958 1.00 0.31 H new ATOM 0 HA LEU A 96 -9.230 0.022 1.425 1.00 0.30 H new ATOM 0 HB2 LEU A 96 -9.757 1.363 3.451 1.00 0.34 H new ATOM 0 HB3 LEU A 96 -8.427 0.590 4.291 1.00 0.34 H new ATOM 0 HG LEU A 96 -6.933 1.498 2.388 1.00 0.37 H new ATOM 0 HD11 LEU A 96 -7.766 3.551 1.317 1.00 0.43 H new ATOM 0 HD12 LEU A 96 -8.721 2.123 0.849 1.00 0.43 H new ATOM 0 HD13 LEU A 96 -9.367 3.273 2.043 1.00 0.43 H new ATOM 0 HD21 LEU A 96 -6.704 3.671 3.526 1.00 0.44 H new ATOM 0 HD22 LEU A 96 -8.259 3.396 4.348 1.00 0.44 H new ATOM 0 HD23 LEU A 96 -6.874 2.330 4.684 1.00 0.44 H new ATOM 1233 N LYS A 97 -7.238 -1.454 1.107 1.00 0.29 N ATOM 1234 CA LYS A 97 -6.005 -2.192 0.887 1.00 0.33 C ATOM 1235 C LYS A 97 -4.900 -1.265 0.405 1.00 0.26 C ATOM 1236 O LYS A 97 -5.073 -0.540 -0.572 1.00 0.32 O ATOM 1237 CB LYS A 97 -6.225 -3.310 -0.138 1.00 0.45 C ATOM 1238 CG LYS A 97 -4.952 -4.060 -0.508 1.00 0.51 C ATOM 1239 CD LYS A 97 -5.195 -5.052 -1.632 1.00 0.74 C ATOM 1240 CE LYS A 97 -3.903 -5.727 -2.073 1.00 0.80 C ATOM 1241 NZ LYS A 97 -2.961 -4.768 -2.714 1.00 0.89 N ATOM 0 H LYS A 97 -7.778 -1.270 0.261 1.00 0.29 H new ATOM 0 HA LYS A 97 -5.703 -2.633 1.837 1.00 0.33 H new ATOM 0 HB2 LYS A 97 -6.951 -4.019 0.261 1.00 0.45 H new ATOM 0 HB3 LYS A 97 -6.660 -2.882 -1.041 1.00 0.45 H new ATOM 0 HG2 LYS A 97 -4.184 -3.348 -0.810 1.00 0.51 H new ATOM 0 HG3 LYS A 97 -4.572 -4.587 0.367 1.00 0.51 H new ATOM 0 HD2 LYS A 97 -5.907 -5.808 -1.303 1.00 0.74 H new ATOM 0 HD3 LYS A 97 -5.646 -4.538 -2.481 1.00 0.74 H new ATOM 0 HE2 LYS A 97 -3.421 -6.186 -1.210 1.00 0.80 H new ATOM 0 HE3 LYS A 97 -4.134 -6.530 -2.773 1.00 0.80 H new ATOM 0 HZ1 LYS A 97 -2.202 -5.294 -3.192 1.00 0.89 H new ATOM 0 HZ2 LYS A 97 -3.474 -4.191 -3.411 1.00 0.89 H new ATOM 0 HZ3 LYS A 97 -2.549 -4.148 -1.988 1.00 0.89 H new ATOM 1255 N PHE A 98 -3.774 -1.284 1.097 1.00 0.29 N ATOM 1256 CA PHE A 98 -2.641 -0.458 0.718 1.00 0.30 C ATOM 1257 C PHE A 98 -1.909 -1.091 -0.459 1.00 0.33 C ATOM 1258 O PHE A 98 -1.809 -2.316 -0.552 1.00 0.45 O ATOM 1259 CB PHE A 98 -1.693 -0.272 1.903 1.00 0.39 C ATOM 1260 CG PHE A 98 -2.188 0.730 2.912 1.00 0.44 C ATOM 1261 CD1 PHE A 98 -3.221 0.412 3.779 1.00 0.61 C ATOM 1262 CD2 PHE A 98 -1.617 1.989 2.990 1.00 0.57 C ATOM 1263 CE1 PHE A 98 -3.674 1.333 4.704 1.00 0.76 C ATOM 1264 CE2 PHE A 98 -2.065 2.913 3.914 1.00 0.72 C ATOM 1265 CZ PHE A 98 -3.094 2.585 4.773 1.00 0.77 C ATOM 0 H PHE A 98 -3.620 -1.862 1.923 1.00 0.29 H new ATOM 0 HA PHE A 98 -3.006 0.524 0.418 1.00 0.30 H new ATOM 0 HB2 PHE A 98 -1.548 -1.233 2.397 1.00 0.39 H new ATOM 0 HB3 PHE A 98 -0.719 0.047 1.533 1.00 0.39 H new ATOM 0 HD1 PHE A 98 -3.677 -0.566 3.731 1.00 0.61 H new ATOM 0 HD2 PHE A 98 -0.812 2.252 2.320 1.00 0.57 H new ATOM 0 HE1 PHE A 98 -4.481 1.074 5.373 1.00 0.76 H new ATOM 0 HE2 PHE A 98 -1.610 3.891 3.964 1.00 0.72 H new ATOM 0 HZ PHE A 98 -3.445 3.305 5.497 1.00 0.77 H new ATOM 1275 N LYS A 99 -1.424 -0.258 -1.362 1.00 0.40 N ATOM 1276 CA LYS A 99 -0.707 -0.733 -2.537 1.00 0.48 C ATOM 1277 C LYS A 99 0.787 -0.494 -2.365 1.00 0.54 C ATOM 1278 O LYS A 99 1.543 -0.407 -3.338 1.00 0.82 O ATOM 1279 CB LYS A 99 -1.228 -0.034 -3.797 1.00 0.54 C ATOM 1280 CG LYS A 99 -2.739 -0.131 -3.957 1.00 0.70 C ATOM 1281 CD LYS A 99 -3.153 -0.198 -5.420 1.00 0.73 C ATOM 1282 CE LYS A 99 -3.394 1.186 -6.003 1.00 0.91 C ATOM 1283 NZ LYS A 99 -4.198 1.121 -7.252 1.00 1.11 N ATOM 0 H LYS A 99 -1.513 0.757 -1.306 1.00 0.40 H new ATOM 0 HA LYS A 99 -0.877 -1.804 -2.648 1.00 0.48 H new ATOM 0 HB2 LYS A 99 -0.939 1.017 -3.767 1.00 0.54 H new ATOM 0 HB3 LYS A 99 -0.748 -0.472 -4.672 1.00 0.54 H new ATOM 0 HG2 LYS A 99 -3.103 -1.017 -3.436 1.00 0.70 H new ATOM 0 HG3 LYS A 99 -3.210 0.732 -3.486 1.00 0.70 H new ATOM 0 HD2 LYS A 99 -2.377 -0.704 -5.994 1.00 0.73 H new ATOM 0 HD3 LYS A 99 -4.060 -0.795 -5.514 1.00 0.73 H new ATOM 0 HE2 LYS A 99 -3.910 1.806 -5.269 1.00 0.91 H new ATOM 0 HE3 LYS A 99 -2.437 1.666 -6.210 1.00 0.91 H new ATOM 0 HZ1 LYS A 99 -4.472 2.082 -7.539 1.00 1.11 H new ATOM 0 HZ2 LYS A 99 -3.632 0.683 -8.007 1.00 1.11 H new ATOM 0 HZ3 LYS A 99 -5.053 0.552 -7.086 1.00 1.11 H new ATOM 1297 N ALA A 100 1.191 -0.388 -1.108 1.00 0.55 N ATOM 1298 CA ALA A 100 2.582 -0.175 -0.741 1.00 0.63 C ATOM 1299 C ALA A 100 2.859 -0.821 0.605 1.00 0.62 C ATOM 1300 O ALA A 100 3.625 -0.306 1.420 1.00 1.36 O ATOM 1301 CB ALA A 100 2.902 1.310 -0.693 1.00 0.89 C ATOM 0 H ALA A 100 0.559 -0.448 -0.310 1.00 0.55 H new ATOM 0 HA ALA A 100 3.221 -0.634 -1.495 1.00 0.63 H new ATOM 0 HB1 ALA A 100 3.947 1.448 -0.417 1.00 0.89 H new ATOM 0 HB2 ALA A 100 2.724 1.752 -1.673 1.00 0.89 H new ATOM 0 HB3 ALA A 100 2.264 1.796 0.045 1.00 0.89 H new ATOM 1307 N GLY A 101 2.226 -1.961 0.831 1.00 0.78 N ATOM 1308 CA GLY A 101 2.386 -2.672 2.079 1.00 0.83 C ATOM 1309 C GLY A 101 1.427 -3.841 2.179 1.00 0.73 C ATOM 1310 O GLY A 101 0.873 -4.276 1.168 1.00 1.06 O ATOM 0 H GLY A 101 1.598 -2.410 0.164 1.00 0.78 H new ATOM 0 HA2 GLY A 101 3.411 -3.033 2.165 1.00 0.83 H new ATOM 0 HA3 GLY A 101 2.218 -1.989 2.912 1.00 0.83 H new ATOM 1314 N SER A 102 1.208 -4.335 3.387 1.00 0.51 N ATOM 1315 CA SER A 102 0.313 -5.466 3.600 1.00 0.48 C ATOM 1316 C SER A 102 -0.802 -5.121 4.589 1.00 0.52 C ATOM 1317 O SER A 102 -1.484 -6.008 5.104 1.00 1.13 O ATOM 1318 CB SER A 102 1.113 -6.668 4.103 1.00 0.60 C ATOM 1319 OG SER A 102 2.357 -6.258 4.658 1.00 1.00 O ATOM 0 H SER A 102 1.638 -3.971 4.238 1.00 0.51 H new ATOM 0 HA SER A 102 -0.156 -5.713 2.648 1.00 0.48 H new ATOM 0 HB2 SER A 102 0.535 -7.205 4.855 1.00 0.60 H new ATOM 0 HB3 SER A 102 1.289 -7.362 3.281 1.00 0.60 H new ATOM 0 HG SER A 102 2.849 -7.044 4.974 1.00 1.00 H new ATOM 1325 N LYS A 103 -0.985 -3.835 4.852 1.00 0.42 N ATOM 1326 CA LYS A 103 -2.017 -3.389 5.779 1.00 0.42 C ATOM 1327 C LYS A 103 -3.389 -3.382 5.109 1.00 0.39 C ATOM 1328 O LYS A 103 -3.582 -2.742 4.074 1.00 0.44 O ATOM 1329 CB LYS A 103 -1.685 -1.992 6.313 1.00 0.52 C ATOM 1330 CG LYS A 103 -2.549 -1.563 7.490 1.00 0.60 C ATOM 1331 CD LYS A 103 -2.187 -0.164 7.966 1.00 0.79 C ATOM 1332 CE LYS A 103 -2.941 0.213 9.233 1.00 0.93 C ATOM 1333 NZ LYS A 103 -2.494 -0.577 10.407 1.00 1.17 N ATOM 0 H LYS A 103 -0.434 -3.083 4.438 1.00 0.42 H new ATOM 0 HA LYS A 103 -2.047 -4.090 6.613 1.00 0.42 H new ATOM 0 HB2 LYS A 103 -0.638 -1.968 6.615 1.00 0.52 H new ATOM 0 HB3 LYS A 103 -1.801 -1.268 5.506 1.00 0.52 H new ATOM 0 HG2 LYS A 103 -3.600 -1.590 7.200 1.00 0.60 H new ATOM 0 HG3 LYS A 103 -2.426 -2.271 8.310 1.00 0.60 H new ATOM 0 HD2 LYS A 103 -1.114 -0.109 8.151 1.00 0.79 H new ATOM 0 HD3 LYS A 103 -2.412 0.557 7.180 1.00 0.79 H new ATOM 0 HE2 LYS A 103 -2.799 1.274 9.436 1.00 0.93 H new ATOM 0 HE3 LYS A 103 -4.009 0.058 9.078 1.00 0.93 H new ATOM 0 HZ1 LYS A 103 -2.880 -0.156 11.276 1.00 1.17 H new ATOM 0 HZ2 LYS A 103 -2.834 -1.556 10.317 1.00 1.17 H new ATOM 0 HZ3 LYS A 103 -1.455 -0.574 10.452 1.00 1.17 H new ATOM 1347 N ARG A 104 -4.328 -4.114 5.697 1.00 0.37 N ATOM 1348 CA ARG A 104 -5.687 -4.192 5.181 1.00 0.38 C ATOM 1349 C ARG A 104 -6.666 -3.758 6.265 1.00 0.37 C ATOM 1350 O ARG A 104 -6.805 -4.429 7.286 1.00 0.51 O ATOM 1351 CB ARG A 104 -6.012 -5.617 4.722 1.00 0.47 C ATOM 1352 CG ARG A 104 -5.045 -6.168 3.686 1.00 0.63 C ATOM 1353 CD ARG A 104 -5.313 -7.636 3.403 1.00 0.86 C ATOM 1354 NE ARG A 104 -4.255 -8.241 2.598 1.00 1.11 N ATOM 1355 CZ ARG A 104 -3.756 -9.458 2.816 1.00 1.40 C ATOM 1356 NH1 ARG A 104 -4.217 -10.209 3.811 1.00 1.85 N ATOM 1357 NH2 ARG A 104 -2.795 -9.922 2.029 1.00 1.70 N ATOM 0 H ARG A 104 -4.169 -4.667 6.540 1.00 0.37 H new ATOM 0 HA ARG A 104 -5.776 -3.528 4.321 1.00 0.38 H new ATOM 0 HB2 ARG A 104 -6.013 -6.276 5.590 1.00 0.47 H new ATOM 0 HB3 ARG A 104 -7.020 -5.634 4.308 1.00 0.47 H new ATOM 0 HG2 ARG A 104 -5.134 -5.596 2.763 1.00 0.63 H new ATOM 0 HG3 ARG A 104 -4.021 -6.045 4.040 1.00 0.63 H new ATOM 0 HD2 ARG A 104 -5.405 -8.176 4.345 1.00 0.86 H new ATOM 0 HD3 ARG A 104 -6.266 -7.737 2.884 1.00 0.86 H new ATOM 0 HE ARG A 104 -3.875 -7.699 1.822 1.00 1.11 H new ATOM 0 HH11 ARG A 104 -4.959 -9.855 4.415 1.00 1.85 H new ATOM 0 HH12 ARG A 104 -3.829 -11.139 3.970 1.00 1.85 H new ATOM 0 HH21 ARG A 104 -2.442 -9.349 1.263 1.00 1.70 H new ATOM 0 HH22 ARG A 104 -2.409 -10.852 2.190 1.00 1.70 H new ATOM 1371 N LEU A 105 -7.321 -2.628 6.058 1.00 0.33 N ATOM 1372 CA LEU A 105 -8.271 -2.109 7.034 1.00 0.34 C ATOM 1373 C LEU A 105 -9.709 -2.396 6.612 1.00 0.33 C ATOM 1374 O LEU A 105 -10.155 -1.947 5.559 1.00 0.39 O ATOM 1375 CB LEU A 105 -8.069 -0.602 7.205 1.00 0.37 C ATOM 1376 CG LEU A 105 -6.765 -0.190 7.893 1.00 0.50 C ATOM 1377 CD1 LEU A 105 -6.488 1.288 7.672 1.00 0.70 C ATOM 1378 CD2 LEU A 105 -6.826 -0.499 9.380 1.00 0.82 C ATOM 0 H LEU A 105 -7.214 -2.051 5.224 1.00 0.33 H new ATOM 0 HA LEU A 105 -8.090 -2.611 7.984 1.00 0.34 H new ATOM 0 HB2 LEU A 105 -8.105 -0.133 6.222 1.00 0.37 H new ATOM 0 HB3 LEU A 105 -8.905 -0.203 7.779 1.00 0.37 H new ATOM 0 HG LEU A 105 -5.950 -0.764 7.453 1.00 0.50 H new ATOM 0 HD11 LEU A 105 -5.557 1.562 8.169 1.00 0.70 H new ATOM 0 HD12 LEU A 105 -6.401 1.486 6.604 1.00 0.70 H new ATOM 0 HD13 LEU A 105 -7.307 1.877 8.085 1.00 0.70 H new ATOM 0 HD21 LEU A 105 -5.891 -0.199 9.853 1.00 0.82 H new ATOM 0 HD22 LEU A 105 -7.653 0.049 9.832 1.00 0.82 H new ATOM 0 HD23 LEU A 105 -6.979 -1.569 9.523 1.00 0.82 H new ATOM 1390 N PHE A 106 -10.426 -3.150 7.436 1.00 0.34 N ATOM 1391 CA PHE A 106 -11.815 -3.494 7.155 1.00 0.34 C ATOM 1392 C PHE A 106 -12.759 -2.577 7.923 1.00 0.35 C ATOM 1393 O PHE A 106 -12.524 -2.275 9.097 1.00 0.37 O ATOM 1394 CB PHE A 106 -12.093 -4.952 7.525 1.00 0.38 C ATOM 1395 CG PHE A 106 -11.475 -5.949 6.590 1.00 0.40 C ATOM 1396 CD1 PHE A 106 -10.169 -6.373 6.774 1.00 0.46 C ATOM 1397 CD2 PHE A 106 -12.203 -6.467 5.530 1.00 0.44 C ATOM 1398 CE1 PHE A 106 -9.600 -7.294 5.919 1.00 0.52 C ATOM 1399 CE2 PHE A 106 -11.638 -7.388 4.670 1.00 0.50 C ATOM 1400 CZ PHE A 106 -10.334 -7.803 4.865 1.00 0.52 C ATOM 0 H PHE A 106 -10.067 -3.537 8.309 1.00 0.34 H new ATOM 0 HA PHE A 106 -11.987 -3.363 6.087 1.00 0.34 H new ATOM 0 HB2 PHE A 106 -11.722 -5.137 8.533 1.00 0.38 H new ATOM 0 HB3 PHE A 106 -13.171 -5.111 7.548 1.00 0.38 H new ATOM 0 HD1 PHE A 106 -9.590 -5.978 7.596 1.00 0.46 H new ATOM 0 HD2 PHE A 106 -13.223 -6.147 5.375 1.00 0.44 H new ATOM 0 HE1 PHE A 106 -8.581 -7.617 6.074 1.00 0.52 H new ATOM 0 HE2 PHE A 106 -12.214 -7.783 3.846 1.00 0.50 H new ATOM 0 HZ PHE A 106 -9.890 -8.524 4.195 1.00 0.52 H new ATOM 1410 N PHE A 107 -13.812 -2.123 7.254 1.00 0.35 N ATOM 1411 CA PHE A 107 -14.798 -1.239 7.864 1.00 0.37 C ATOM 1412 C PHE A 107 -16.207 -1.658 7.469 1.00 0.39 C ATOM 1413 O PHE A 107 -16.433 -2.126 6.354 1.00 0.48 O ATOM 1414 CB PHE A 107 -14.576 0.211 7.418 1.00 0.36 C ATOM 1415 CG PHE A 107 -13.232 0.773 7.783 1.00 0.35 C ATOM 1416 CD1 PHE A 107 -12.992 1.255 9.058 1.00 0.41 C ATOM 1417 CD2 PHE A 107 -12.214 0.827 6.845 1.00 0.38 C ATOM 1418 CE1 PHE A 107 -11.759 1.781 9.392 1.00 0.46 C ATOM 1419 CE2 PHE A 107 -10.980 1.351 7.172 1.00 0.43 C ATOM 1420 CZ PHE A 107 -10.752 1.828 8.446 1.00 0.46 C ATOM 0 H PHE A 107 -14.006 -2.355 6.280 1.00 0.35 H new ATOM 0 HA PHE A 107 -14.681 -1.311 8.945 1.00 0.37 H new ATOM 0 HB2 PHE A 107 -14.699 0.269 6.336 1.00 0.36 H new ATOM 0 HB3 PHE A 107 -15.351 0.837 7.861 1.00 0.36 H new ATOM 0 HD1 PHE A 107 -13.777 1.220 9.799 1.00 0.41 H new ATOM 0 HD2 PHE A 107 -12.388 0.455 5.846 1.00 0.38 H new ATOM 0 HE1 PHE A 107 -11.582 2.155 10.390 1.00 0.46 H new ATOM 0 HE2 PHE A 107 -10.194 1.388 6.432 1.00 0.43 H new ATOM 0 HZ PHE A 107 -9.787 2.238 8.704 1.00 0.46 H new ATOM 1430 N TRP A 108 -17.155 -1.498 8.376 1.00 0.41 N ATOM 1431 CA TRP A 108 -18.538 -1.830 8.079 1.00 0.43 C ATOM 1432 C TRP A 108 -19.411 -0.595 8.287 1.00 0.45 C ATOM 1433 O TRP A 108 -19.377 0.031 9.348 1.00 0.45 O ATOM 1434 CB TRP A 108 -19.028 -3.031 8.909 1.00 0.45 C ATOM 1435 CG TRP A 108 -18.951 -2.857 10.397 1.00 0.48 C ATOM 1436 CD1 TRP A 108 -17.848 -3.004 11.188 1.00 0.51 C ATOM 1437 CD2 TRP A 108 -20.035 -2.535 11.278 1.00 0.55 C ATOM 1438 NE1 TRP A 108 -18.179 -2.779 12.502 1.00 0.58 N ATOM 1439 CE2 TRP A 108 -19.514 -2.488 12.582 1.00 0.60 C ATOM 1440 CE3 TRP A 108 -21.395 -2.271 11.086 1.00 0.61 C ATOM 1441 CZ2 TRP A 108 -20.302 -2.193 13.690 1.00 0.70 C ATOM 1442 CZ3 TRP A 108 -22.178 -1.981 12.188 1.00 0.70 C ATOM 1443 CH2 TRP A 108 -21.629 -1.942 13.475 1.00 0.74 C ATOM 0 H TRP A 108 -16.994 -1.143 9.319 1.00 0.41 H new ATOM 0 HA TRP A 108 -18.611 -2.136 7.035 1.00 0.43 H new ATOM 0 HB2 TRP A 108 -20.063 -3.241 8.638 1.00 0.45 H new ATOM 0 HB3 TRP A 108 -18.441 -3.907 8.631 1.00 0.45 H new ATOM 0 HD1 TRP A 108 -16.861 -3.260 10.833 1.00 0.51 H new ATOM 0 HE1 TRP A 108 -17.534 -2.822 13.291 1.00 0.58 H new ATOM 0 HE3 TRP A 108 -21.825 -2.293 10.096 1.00 0.61 H new ATOM 0 HZ2 TRP A 108 -19.881 -2.163 14.684 1.00 0.70 H new ATOM 0 HZ3 TRP A 108 -23.231 -1.781 12.054 1.00 0.70 H new ATOM 0 HH2 TRP A 108 -22.266 -1.709 14.315 1.00 0.74 H new ATOM 1454 N MET A 109 -20.163 -0.236 7.251 1.00 0.46 N ATOM 1455 CA MET A 109 -21.029 0.944 7.285 1.00 0.48 C ATOM 1456 C MET A 109 -22.048 0.859 8.414 1.00 0.50 C ATOM 1457 O MET A 109 -22.746 -0.145 8.565 1.00 0.51 O ATOM 1458 CB MET A 109 -21.758 1.108 5.946 1.00 0.50 C ATOM 1459 CG MET A 109 -20.831 1.350 4.764 1.00 0.50 C ATOM 1460 SD MET A 109 -20.135 3.016 4.742 1.00 0.58 S ATOM 1461 CE MET A 109 -18.960 2.869 3.397 1.00 0.60 C ATOM 0 H MET A 109 -20.192 -0.748 6.370 1.00 0.46 H new ATOM 0 HA MET A 109 -20.394 1.811 7.463 1.00 0.48 H new ATOM 0 HB2 MET A 109 -22.350 0.213 5.754 1.00 0.50 H new ATOM 0 HB3 MET A 109 -22.457 1.941 6.024 1.00 0.50 H new ATOM 0 HG2 MET A 109 -20.019 0.623 4.792 1.00 0.50 H new ATOM 0 HG3 MET A 109 -21.380 1.179 3.838 1.00 0.50 H new ATOM 0 HE1 MET A 109 -18.446 3.820 3.257 1.00 0.60 H new ATOM 0 HE2 MET A 109 -18.231 2.094 3.634 1.00 0.60 H new ATOM 0 HE3 MET A 109 -19.487 2.604 2.481 1.00 0.60 H new ATOM 1471 N GLN A 110 -22.120 1.922 9.206 1.00 0.51 N ATOM 1472 CA GLN A 110 -23.058 1.990 10.320 1.00 0.53 C ATOM 1473 C GLN A 110 -24.235 2.886 9.955 1.00 0.56 C ATOM 1474 O GLN A 110 -25.090 3.186 10.792 1.00 0.61 O ATOM 1475 CB GLN A 110 -22.364 2.511 11.580 1.00 0.53 C ATOM 1476 CG GLN A 110 -21.479 1.475 12.250 1.00 0.51 C ATOM 1477 CD GLN A 110 -20.786 1.999 13.493 1.00 0.52 C ATOM 1478 OE1 GLN A 110 -20.504 3.191 13.611 1.00 0.55 O ATOM 1479 NE2 GLN A 110 -20.514 1.108 14.435 1.00 0.53 N ATOM 0 H GLN A 110 -21.537 2.752 9.097 1.00 0.51 H new ATOM 0 HA GLN A 110 -23.428 0.985 10.525 1.00 0.53 H new ATOM 0 HB2 GLN A 110 -21.761 3.381 11.321 1.00 0.53 H new ATOM 0 HB3 GLN A 110 -23.120 2.847 12.290 1.00 0.53 H new ATOM 0 HG2 GLN A 110 -22.083 0.608 12.516 1.00 0.51 H new ATOM 0 HG3 GLN A 110 -20.727 1.134 11.539 1.00 0.51 H new ATOM 0 HE21 GLN A 110 -20.764 0.129 14.298 1.00 0.53 H new ATOM 0 HE22 GLN A 110 -20.054 1.401 15.297 1.00 0.53 H new ATOM 1488 N GLU A 111 -24.263 3.321 8.701 1.00 0.57 N ATOM 1489 CA GLU A 111 -25.339 4.168 8.202 1.00 0.60 C ATOM 1490 C GLU A 111 -26.634 3.359 8.135 1.00 0.63 C ATOM 1491 O GLU A 111 -26.610 2.181 7.782 1.00 0.64 O ATOM 1492 CB GLU A 111 -24.985 4.716 6.815 1.00 0.61 C ATOM 1493 CG GLU A 111 -23.718 5.556 6.789 1.00 0.62 C ATOM 1494 CD GLU A 111 -23.920 6.940 7.377 1.00 0.65 C ATOM 1495 OE1 GLU A 111 -24.851 7.657 6.935 1.00 0.73 O ATOM 1496 OE2 GLU A 111 -23.152 7.325 8.281 1.00 0.67 O ATOM 0 H GLU A 111 -23.548 3.099 8.008 1.00 0.57 H new ATOM 0 HA GLU A 111 -25.475 5.010 8.880 1.00 0.60 H new ATOM 0 HB2 GLU A 111 -24.870 3.881 6.124 1.00 0.61 H new ATOM 0 HB3 GLU A 111 -25.817 5.319 6.450 1.00 0.61 H new ATOM 0 HG2 GLU A 111 -22.934 5.041 7.344 1.00 0.62 H new ATOM 0 HG3 GLU A 111 -23.371 5.650 5.760 1.00 0.62 H new ATOM 1503 N PRO A 112 -27.774 3.970 8.480 1.00 0.67 N ATOM 1504 CA PRO A 112 -29.071 3.281 8.465 1.00 0.71 C ATOM 1505 C PRO A 112 -29.520 2.845 7.067 1.00 0.71 C ATOM 1506 O PRO A 112 -30.239 1.855 6.924 1.00 0.79 O ATOM 1507 CB PRO A 112 -30.043 4.321 9.032 1.00 0.77 C ATOM 1508 CG PRO A 112 -29.364 5.636 8.864 1.00 0.82 C ATOM 1509 CD PRO A 112 -27.889 5.365 8.935 1.00 0.71 C ATOM 0 HA PRO A 112 -29.023 2.354 9.037 1.00 0.71 H new ATOM 0 HB2 PRO A 112 -30.994 4.300 8.500 1.00 0.77 H new ATOM 0 HB3 PRO A 112 -30.261 4.123 10.082 1.00 0.77 H new ATOM 0 HG2 PRO A 112 -29.630 6.091 7.910 1.00 0.82 H new ATOM 0 HG3 PRO A 112 -29.669 6.333 9.645 1.00 0.82 H new ATOM 0 HD2 PRO A 112 -27.325 6.044 8.295 1.00 0.71 H new ATOM 0 HD3 PRO A 112 -27.506 5.490 9.948 1.00 0.71 H new ATOM 1517 N LYS A 113 -29.098 3.573 6.040 1.00 0.72 N ATOM 1518 CA LYS A 113 -29.482 3.249 4.670 1.00 0.75 C ATOM 1519 C LYS A 113 -28.282 2.779 3.854 1.00 0.69 C ATOM 1520 O LYS A 113 -27.151 3.191 4.103 1.00 0.70 O ATOM 1521 CB LYS A 113 -30.114 4.470 3.998 1.00 0.86 C ATOM 1522 CG LYS A 113 -31.578 4.290 3.637 1.00 0.99 C ATOM 1523 CD LYS A 113 -32.427 3.980 4.857 1.00 1.05 C ATOM 1524 CE LYS A 113 -33.889 4.310 4.613 1.00 1.11 C ATOM 1525 NZ LYS A 113 -34.123 5.778 4.598 1.00 1.51 N ATOM 0 H LYS A 113 -28.492 4.389 6.128 1.00 0.72 H new ATOM 0 HA LYS A 113 -30.208 2.437 4.710 1.00 0.75 H new ATOM 0 HB2 LYS A 113 -30.018 5.328 4.663 1.00 0.86 H new ATOM 0 HB3 LYS A 113 -29.554 4.704 3.093 1.00 0.86 H new ATOM 0 HG2 LYS A 113 -31.948 5.196 3.158 1.00 0.99 H new ATOM 0 HG3 LYS A 113 -31.677 3.483 2.911 1.00 0.99 H new ATOM 0 HD2 LYS A 113 -32.328 2.925 5.112 1.00 1.05 H new ATOM 0 HD3 LYS A 113 -32.061 4.550 5.711 1.00 1.05 H new ATOM 0 HE2 LYS A 113 -34.206 3.881 3.663 1.00 1.11 H new ATOM 0 HE3 LYS A 113 -34.501 3.851 5.390 1.00 1.11 H new ATOM 0 HZ1 LYS A 113 -35.136 5.970 4.736 1.00 1.51 H new ATOM 0 HZ2 LYS A 113 -33.579 6.224 5.364 1.00 1.51 H new ATOM 0 HZ3 LYS A 113 -33.818 6.169 3.684 1.00 1.51 H new ATOM 1539 N THR A 114 -28.545 1.922 2.878 1.00 0.69 N ATOM 1540 CA THR A 114 -27.503 1.396 2.003 1.00 0.66 C ATOM 1541 C THR A 114 -27.437 2.200 0.708 1.00 0.67 C ATOM 1542 O THR A 114 -26.728 1.838 -0.233 1.00 0.69 O ATOM 1543 CB THR A 114 -27.783 -0.080 1.651 1.00 0.70 C ATOM 1544 OG1 THR A 114 -29.150 -0.406 1.951 1.00 0.90 O ATOM 1545 CG2 THR A 114 -26.859 -1.013 2.414 1.00 0.86 C ATOM 0 H THR A 114 -29.480 1.572 2.670 1.00 0.69 H new ATOM 0 HA THR A 114 -26.554 1.473 2.534 1.00 0.66 H new ATOM 0 HB THR A 114 -27.600 -0.211 0.585 1.00 0.70 H new ATOM 0 HG1 THR A 114 -29.320 -1.344 1.723 1.00 0.90 H new ATOM 0 HG21 THR A 114 -27.081 -2.046 2.144 1.00 0.86 H new ATOM 0 HG22 THR A 114 -25.823 -0.787 2.161 1.00 0.86 H new ATOM 0 HG23 THR A 114 -27.009 -0.877 3.485 1.00 0.86 H new ATOM 1553 N ASP A 115 -28.180 3.298 0.669 1.00 0.69 N ATOM 1554 CA ASP A 115 -28.243 4.148 -0.515 1.00 0.72 C ATOM 1555 C ASP A 115 -26.908 4.822 -0.805 1.00 0.68 C ATOM 1556 O ASP A 115 -26.430 4.798 -1.937 1.00 0.72 O ATOM 1557 CB ASP A 115 -29.330 5.212 -0.355 1.00 0.79 C ATOM 1558 CG ASP A 115 -30.708 4.696 -0.713 1.00 0.94 C ATOM 1559 OD1 ASP A 115 -31.388 4.142 0.175 1.00 1.14 O ATOM 1560 OD2 ASP A 115 -31.119 4.836 -1.885 1.00 1.19 O ATOM 0 H ASP A 115 -28.751 3.623 1.449 1.00 0.69 H new ATOM 0 HA ASP A 115 -28.486 3.502 -1.359 1.00 0.72 H new ATOM 0 HB2 ASP A 115 -29.336 5.568 0.675 1.00 0.79 H new ATOM 0 HB3 ASP A 115 -29.091 6.068 -0.987 1.00 0.79 H new ATOM 1565 N GLN A 116 -26.301 5.407 0.217 1.00 0.66 N ATOM 1566 CA GLN A 116 -25.034 6.112 0.042 1.00 0.64 C ATOM 1567 C GLN A 116 -23.831 5.237 0.383 1.00 0.60 C ATOM 1568 O GLN A 116 -22.725 5.747 0.573 1.00 0.59 O ATOM 1569 CB GLN A 116 -25.015 7.368 0.910 1.00 0.70 C ATOM 1570 CG GLN A 116 -26.109 8.367 0.568 1.00 0.77 C ATOM 1571 CD GLN A 116 -25.930 8.979 -0.807 1.00 0.83 C ATOM 1572 OE1 GLN A 116 -26.416 8.450 -1.807 1.00 0.90 O ATOM 1573 NE2 GLN A 116 -25.237 10.104 -0.869 1.00 0.92 N ATOM 0 H GLN A 116 -26.660 5.409 1.172 1.00 0.66 H new ATOM 0 HA GLN A 116 -24.957 6.382 -1.011 1.00 0.64 H new ATOM 0 HB2 GLN A 116 -25.115 7.077 1.956 1.00 0.70 H new ATOM 0 HB3 GLN A 116 -24.046 7.855 0.806 1.00 0.70 H new ATOM 0 HG2 GLN A 116 -27.078 7.870 0.617 1.00 0.77 H new ATOM 0 HG3 GLN A 116 -26.119 9.160 1.316 1.00 0.77 H new ATOM 0 HE21 GLN A 116 -24.850 10.512 -0.018 1.00 0.92 H new ATOM 0 HE22 GLN A 116 -25.090 10.563 -1.768 1.00 0.92 H new ATOM 1582 N ASP A 117 -24.036 3.928 0.438 1.00 0.59 N ATOM 1583 CA ASP A 117 -22.956 2.998 0.765 1.00 0.58 C ATOM 1584 C ASP A 117 -21.837 3.081 -0.268 1.00 0.55 C ATOM 1585 O ASP A 117 -20.699 3.430 0.062 1.00 0.53 O ATOM 1586 CB ASP A 117 -23.481 1.563 0.858 1.00 0.60 C ATOM 1587 CG ASP A 117 -23.640 1.101 2.295 1.00 0.62 C ATOM 1588 OD1 ASP A 117 -23.668 1.960 3.201 1.00 0.67 O ATOM 1589 OD2 ASP A 117 -23.746 -0.125 2.528 1.00 0.64 O ATOM 0 H ASP A 117 -24.937 3.484 0.261 1.00 0.59 H new ATOM 0 HA ASP A 117 -22.554 3.284 1.737 1.00 0.58 H new ATOM 0 HB2 ASP A 117 -24.442 1.496 0.349 1.00 0.60 H new ATOM 0 HB3 ASP A 117 -22.797 0.893 0.337 1.00 0.60 H new ATOM 1594 N GLU A 118 -22.171 2.789 -1.522 1.00 0.56 N ATOM 1595 CA GLU A 118 -21.196 2.841 -2.608 1.00 0.56 C ATOM 1596 C GLU A 118 -20.720 4.269 -2.834 1.00 0.55 C ATOM 1597 O GLU A 118 -19.556 4.495 -3.174 1.00 0.55 O ATOM 1598 CB GLU A 118 -21.789 2.270 -3.893 1.00 0.59 C ATOM 1599 CG GLU A 118 -21.753 0.752 -3.949 1.00 0.62 C ATOM 1600 CD GLU A 118 -20.346 0.208 -4.091 1.00 0.64 C ATOM 1601 OE1 GLU A 118 -19.764 0.327 -5.191 1.00 0.85 O ATOM 1602 OE2 GLU A 118 -19.817 -0.356 -3.108 1.00 0.70 O ATOM 0 H GLU A 118 -23.110 2.514 -1.812 1.00 0.56 H new ATOM 0 HA GLU A 118 -20.338 2.231 -2.323 1.00 0.56 H new ATOM 0 HB2 GLU A 118 -22.822 2.606 -3.989 1.00 0.59 H new ATOM 0 HB3 GLU A 118 -21.243 2.671 -4.747 1.00 0.59 H new ATOM 0 HG2 GLU A 118 -22.205 0.348 -3.043 1.00 0.62 H new ATOM 0 HG3 GLU A 118 -22.358 0.408 -4.788 1.00 0.62 H new ATOM 1609 N GLU A 119 -21.620 5.227 -2.639 1.00 0.57 N ATOM 1610 CA GLU A 119 -21.280 6.637 -2.795 1.00 0.59 C ATOM 1611 C GLU A 119 -20.119 6.990 -1.873 1.00 0.56 C ATOM 1612 O GLU A 119 -19.192 7.699 -2.260 1.00 0.57 O ATOM 1613 CB GLU A 119 -22.495 7.509 -2.474 1.00 0.64 C ATOM 1614 CG GLU A 119 -22.266 8.999 -2.680 1.00 0.71 C ATOM 1615 CD GLU A 119 -22.190 9.384 -4.142 1.00 0.84 C ATOM 1616 OE1 GLU A 119 -23.250 9.414 -4.808 1.00 1.12 O ATOM 1617 OE2 GLU A 119 -21.079 9.665 -4.636 1.00 1.25 O ATOM 0 H GLU A 119 -22.589 5.053 -2.373 1.00 0.57 H new ATOM 0 HA GLU A 119 -20.983 6.822 -3.827 1.00 0.59 H new ATOM 0 HB2 GLU A 119 -23.331 7.192 -3.098 1.00 0.64 H new ATOM 0 HB3 GLU A 119 -22.787 7.338 -1.438 1.00 0.64 H new ATOM 0 HG2 GLU A 119 -23.073 9.555 -2.204 1.00 0.71 H new ATOM 0 HG3 GLU A 119 -21.341 9.292 -2.183 1.00 0.71 H new ATOM 1624 N HIS A 120 -20.169 6.468 -0.651 1.00 0.55 N ATOM 1625 CA HIS A 120 -19.121 6.714 0.326 1.00 0.54 C ATOM 1626 C HIS A 120 -17.805 6.127 -0.160 1.00 0.51 C ATOM 1627 O HIS A 120 -16.780 6.800 -0.141 1.00 0.52 O ATOM 1628 CB HIS A 120 -19.490 6.107 1.684 1.00 0.55 C ATOM 1629 CG HIS A 120 -20.523 6.885 2.441 1.00 0.59 C ATOM 1630 ND1 HIS A 120 -21.523 6.285 3.180 1.00 0.64 N ATOM 1631 CD2 HIS A 120 -20.701 8.220 2.587 1.00 0.71 C ATOM 1632 CE1 HIS A 120 -22.275 7.219 3.737 1.00 0.68 C ATOM 1633 NE2 HIS A 120 -21.794 8.398 3.395 1.00 0.74 N ATOM 0 H HIS A 120 -20.926 5.872 -0.316 1.00 0.55 H new ATOM 0 HA HIS A 120 -19.012 7.792 0.446 1.00 0.54 H new ATOM 0 HB2 HIS A 120 -19.856 5.092 1.529 1.00 0.55 H new ATOM 0 HB3 HIS A 120 -18.589 6.031 2.293 1.00 0.55 H new ATOM 0 HD2 HIS A 120 -20.095 8.999 2.149 1.00 0.71 H new ATOM 0 HE1 HIS A 120 -23.136 7.046 4.365 1.00 0.68 H new ATOM 0 HE2 HIS A 120 -22.174 9.299 3.685 1.00 0.74 H new ATOM 1642 N CYS A 121 -17.855 4.881 -0.623 1.00 0.49 N ATOM 1643 CA CYS A 121 -16.668 4.187 -1.115 1.00 0.48 C ATOM 1644 C CYS A 121 -16.018 4.960 -2.254 1.00 0.48 C ATOM 1645 O CYS A 121 -14.801 5.155 -2.277 1.00 0.47 O ATOM 1646 CB CYS A 121 -17.047 2.782 -1.587 1.00 0.49 C ATOM 1647 SG CYS A 121 -15.660 1.795 -2.195 1.00 0.48 S ATOM 0 H CYS A 121 -18.711 4.328 -0.668 1.00 0.49 H new ATOM 0 HA CYS A 121 -15.949 4.114 -0.299 1.00 0.48 H new ATOM 0 HB2 CYS A 121 -17.520 2.251 -0.761 1.00 0.49 H new ATOM 0 HB3 CYS A 121 -17.791 2.867 -2.379 1.00 0.49 H new ATOM 0 HG CYS A 121 -14.694 1.822 -1.325 1.00 0.48 H new ATOM 1653 N ARG A 122 -16.839 5.416 -3.187 1.00 0.51 N ATOM 1654 CA ARG A 122 -16.352 6.166 -4.327 1.00 0.54 C ATOM 1655 C ARG A 122 -15.714 7.472 -3.875 1.00 0.53 C ATOM 1656 O ARG A 122 -14.585 7.779 -4.258 1.00 0.54 O ATOM 1657 CB ARG A 122 -17.492 6.443 -5.303 1.00 0.59 C ATOM 1658 CG ARG A 122 -17.018 6.941 -6.655 1.00 0.85 C ATOM 1659 CD ARG A 122 -18.166 7.060 -7.636 1.00 0.89 C ATOM 1660 NE ARG A 122 -18.914 5.814 -7.764 1.00 1.09 N ATOM 1661 CZ ARG A 122 -20.211 5.756 -8.045 1.00 0.97 C ATOM 1662 NH1 ARG A 122 -20.907 6.871 -8.238 1.00 1.44 N ATOM 1663 NH2 ARG A 122 -20.818 4.580 -8.133 1.00 1.52 N ATOM 0 H ARG A 122 -17.849 5.277 -3.174 1.00 0.51 H new ATOM 0 HA ARG A 122 -15.594 5.570 -4.834 1.00 0.54 H new ATOM 0 HB2 ARG A 122 -18.071 5.530 -5.443 1.00 0.59 H new ATOM 0 HB3 ARG A 122 -18.163 7.183 -4.866 1.00 0.59 H new ATOM 0 HG2 ARG A 122 -16.536 7.912 -6.538 1.00 0.85 H new ATOM 0 HG3 ARG A 122 -16.267 6.258 -7.053 1.00 0.85 H new ATOM 0 HD2 ARG A 122 -18.839 7.854 -7.311 1.00 0.89 H new ATOM 0 HD3 ARG A 122 -17.778 7.351 -8.612 1.00 0.89 H new ATOM 0 HE ARG A 122 -18.412 4.936 -7.630 1.00 1.09 H new ATOM 0 HH11 ARG A 122 -20.446 7.778 -8.171 1.00 1.44 H new ATOM 0 HH12 ARG A 122 -21.903 6.820 -8.453 1.00 1.44 H new ATOM 0 HH21 ARG A 122 -20.289 3.721 -7.985 1.00 1.52 H new ATOM 0 HH22 ARG A 122 -21.814 4.535 -8.349 1.00 1.52 H new ATOM 1677 N LYS A 123 -16.426 8.212 -3.028 1.00 0.53 N ATOM 1678 CA LYS A 123 -15.935 9.490 -2.519 1.00 0.53 C ATOM 1679 C LYS A 123 -14.614 9.311 -1.778 1.00 0.51 C ATOM 1680 O LYS A 123 -13.731 10.171 -1.847 1.00 0.53 O ATOM 1681 CB LYS A 123 -16.976 10.133 -1.602 1.00 0.56 C ATOM 1682 CG LYS A 123 -18.107 10.812 -2.357 1.00 0.63 C ATOM 1683 CD LYS A 123 -19.092 11.475 -1.410 1.00 0.73 C ATOM 1684 CE LYS A 123 -20.132 12.272 -2.179 1.00 0.85 C ATOM 1685 NZ LYS A 123 -20.993 13.081 -1.284 1.00 1.12 N ATOM 0 H LYS A 123 -17.347 7.947 -2.679 1.00 0.53 H new ATOM 0 HA LYS A 123 -15.761 10.150 -3.369 1.00 0.53 H new ATOM 0 HB2 LYS A 123 -17.394 9.369 -0.947 1.00 0.56 H new ATOM 0 HB3 LYS A 123 -16.484 10.866 -0.963 1.00 0.56 H new ATOM 0 HG2 LYS A 123 -17.695 11.559 -3.036 1.00 0.63 H new ATOM 0 HG3 LYS A 123 -18.629 10.077 -2.970 1.00 0.63 H new ATOM 0 HD2 LYS A 123 -19.586 10.716 -0.803 1.00 0.73 H new ATOM 0 HD3 LYS A 123 -18.557 12.133 -0.725 1.00 0.73 H new ATOM 0 HE2 LYS A 123 -19.631 12.929 -2.890 1.00 0.85 H new ATOM 0 HE3 LYS A 123 -20.754 11.590 -2.759 1.00 0.85 H new ATOM 0 HZ1 LYS A 123 -21.687 13.607 -1.852 1.00 1.12 H new ATOM 0 HZ2 LYS A 123 -21.492 12.453 -0.622 1.00 1.12 H new ATOM 0 HZ3 LYS A 123 -20.405 13.751 -0.749 1.00 1.12 H new ATOM 1699 N VAL A 124 -14.481 8.193 -1.074 1.00 0.48 N ATOM 1700 CA VAL A 124 -13.260 7.894 -0.345 1.00 0.46 C ATOM 1701 C VAL A 124 -12.086 7.778 -1.312 1.00 0.45 C ATOM 1702 O VAL A 124 -11.048 8.404 -1.121 1.00 0.45 O ATOM 1703 CB VAL A 124 -13.393 6.590 0.482 1.00 0.45 C ATOM 1704 CG1 VAL A 124 -12.034 6.095 0.961 1.00 0.43 C ATOM 1705 CG2 VAL A 124 -14.312 6.806 1.675 1.00 0.50 C ATOM 0 H VAL A 124 -15.206 7.480 -0.994 1.00 0.48 H new ATOM 0 HA VAL A 124 -13.080 8.715 0.349 1.00 0.46 H new ATOM 0 HB VAL A 124 -13.824 5.830 -0.170 1.00 0.45 H new ATOM 0 HG11 VAL A 124 -12.163 5.179 1.538 1.00 0.43 H new ATOM 0 HG12 VAL A 124 -11.396 5.895 0.100 1.00 0.43 H new ATOM 0 HG13 VAL A 124 -11.570 6.856 1.588 1.00 0.43 H new ATOM 0 HG21 VAL A 124 -14.393 5.880 2.244 1.00 0.50 H new ATOM 0 HG22 VAL A 124 -13.902 7.589 2.313 1.00 0.50 H new ATOM 0 HG23 VAL A 124 -15.300 7.104 1.324 1.00 0.50 H new ATOM 1715 N ASN A 125 -12.281 7.022 -2.382 1.00 0.46 N ATOM 1716 CA ASN A 125 -11.233 6.814 -3.373 1.00 0.48 C ATOM 1717 C ASN A 125 -10.935 8.084 -4.163 1.00 0.49 C ATOM 1718 O ASN A 125 -9.835 8.243 -4.697 1.00 0.52 O ATOM 1719 CB ASN A 125 -11.627 5.704 -4.344 1.00 0.50 C ATOM 1720 CG ASN A 125 -11.429 4.319 -3.762 1.00 0.51 C ATOM 1721 OD1 ASN A 125 -10.303 3.822 -3.672 1.00 0.69 O ATOM 1722 ND2 ASN A 125 -12.522 3.686 -3.364 1.00 0.77 N ATOM 0 H ASN A 125 -13.157 6.541 -2.587 1.00 0.46 H new ATOM 0 HA ASN A 125 -10.334 6.528 -2.828 1.00 0.48 H new ATOM 0 HB2 ASN A 125 -12.672 5.829 -4.627 1.00 0.50 H new ATOM 0 HB3 ASN A 125 -11.037 5.798 -5.256 1.00 0.50 H new ATOM 0 HD21 ASN A 125 -12.452 2.750 -2.965 1.00 0.77 H new ATOM 0 HD22 ASN A 125 -13.433 4.134 -3.457 1.00 0.77 H new ATOM 1729 N GLU A 126 -11.913 8.981 -4.241 1.00 0.52 N ATOM 1730 CA GLU A 126 -11.760 10.229 -4.985 1.00 0.56 C ATOM 1731 C GLU A 126 -10.628 11.104 -4.438 1.00 0.55 C ATOM 1732 O GLU A 126 -9.626 11.314 -5.117 1.00 0.64 O ATOM 1733 CB GLU A 126 -13.080 11.012 -5.009 1.00 0.64 C ATOM 1734 CG GLU A 126 -14.145 10.371 -5.889 1.00 0.76 C ATOM 1735 CD GLU A 126 -15.369 11.246 -6.084 1.00 0.91 C ATOM 1736 OE1 GLU A 126 -16.243 11.273 -5.192 1.00 1.30 O ATOM 1737 OE2 GLU A 126 -15.472 11.904 -7.146 1.00 1.27 O ATOM 0 H GLU A 126 -12.824 8.867 -3.796 1.00 0.52 H new ATOM 0 HA GLU A 126 -11.489 9.957 -6.005 1.00 0.56 H new ATOM 0 HB2 GLU A 126 -13.462 11.097 -3.992 1.00 0.64 H new ATOM 0 HB3 GLU A 126 -12.887 12.025 -5.363 1.00 0.64 H new ATOM 0 HG2 GLU A 126 -13.712 10.142 -6.863 1.00 0.76 H new ATOM 0 HG3 GLU A 126 -14.451 9.424 -5.445 1.00 0.76 H new ATOM 1744 N TYR A 127 -10.761 11.583 -3.206 1.00 0.53 N ATOM 1745 CA TYR A 127 -9.742 12.463 -2.623 1.00 0.55 C ATOM 1746 C TYR A 127 -8.476 11.704 -2.220 1.00 0.52 C ATOM 1747 O TYR A 127 -7.398 12.295 -2.138 1.00 0.60 O ATOM 1748 CB TYR A 127 -10.281 13.207 -1.398 1.00 0.59 C ATOM 1749 CG TYR A 127 -11.497 14.074 -1.656 1.00 0.62 C ATOM 1750 CD1 TYR A 127 -12.783 13.542 -1.603 1.00 0.69 C ATOM 1751 CD2 TYR A 127 -11.362 15.429 -1.930 1.00 0.73 C ATOM 1752 CE1 TYR A 127 -13.891 14.334 -1.818 1.00 0.74 C ATOM 1753 CE2 TYR A 127 -12.469 16.227 -2.139 1.00 0.79 C ATOM 1754 CZ TYR A 127 -13.729 15.674 -2.082 1.00 0.74 C ATOM 1755 OH TYR A 127 -14.831 16.468 -2.281 1.00 0.84 O ATOM 0 H TYR A 127 -11.552 11.383 -2.594 1.00 0.53 H new ATOM 0 HA TYR A 127 -9.485 13.178 -3.404 1.00 0.55 H new ATOM 0 HB2 TYR A 127 -10.532 12.476 -0.629 1.00 0.59 H new ATOM 0 HB3 TYR A 127 -9.486 13.834 -0.994 1.00 0.59 H new ATOM 0 HD1 TYR A 127 -12.915 12.491 -1.390 1.00 0.69 H new ATOM 0 HD2 TYR A 127 -10.375 15.865 -1.980 1.00 0.73 H new ATOM 0 HE1 TYR A 127 -14.881 13.904 -1.779 1.00 0.74 H new ATOM 0 HE2 TYR A 127 -12.347 17.280 -2.346 1.00 0.79 H new ATOM 0 HH TYR A 127 -14.544 17.389 -2.455 1.00 0.84 H new ATOM 1765 N LEU A 128 -8.599 10.405 -1.966 1.00 0.49 N ATOM 1766 CA LEU A 128 -7.450 9.601 -1.551 1.00 0.49 C ATOM 1767 C LEU A 128 -6.485 9.320 -2.699 1.00 0.53 C ATOM 1768 O LEU A 128 -5.292 9.133 -2.473 1.00 0.69 O ATOM 1769 CB LEU A 128 -7.905 8.270 -0.940 1.00 0.46 C ATOM 1770 CG LEU A 128 -8.554 8.358 0.446 1.00 0.42 C ATOM 1771 CD1 LEU A 128 -8.580 6.988 1.101 1.00 0.49 C ATOM 1772 CD2 LEU A 128 -7.825 9.354 1.332 1.00 0.44 C ATOM 0 H LEU A 128 -9.475 9.888 -2.039 1.00 0.49 H new ATOM 0 HA LEU A 128 -6.922 10.191 -0.802 1.00 0.49 H new ATOM 0 HB2 LEU A 128 -8.614 7.802 -1.623 1.00 0.46 H new ATOM 0 HB3 LEU A 128 -7.041 7.608 -0.874 1.00 0.46 H new ATOM 0 HG LEU A 128 -9.578 8.709 0.319 1.00 0.42 H new ATOM 0 HD11 LEU A 128 -9.043 7.064 2.085 1.00 0.49 H new ATOM 0 HD12 LEU A 128 -9.154 6.299 0.481 1.00 0.49 H new ATOM 0 HD13 LEU A 128 -7.561 6.616 1.208 1.00 0.49 H new ATOM 0 HD21 LEU A 128 -8.308 9.394 2.308 1.00 0.44 H new ATOM 0 HD22 LEU A 128 -6.788 9.042 1.453 1.00 0.44 H new ATOM 0 HD23 LEU A 128 -7.855 10.341 0.871 1.00 0.44 H new ATOM 1784 N ASN A 129 -6.985 9.291 -3.926 1.00 0.54 N ATOM 1785 CA ASN A 129 -6.120 8.995 -5.064 1.00 0.59 C ATOM 1786 C ASN A 129 -6.018 10.157 -6.047 1.00 0.65 C ATOM 1787 O ASN A 129 -5.028 10.268 -6.771 1.00 0.78 O ATOM 1788 CB ASN A 129 -6.605 7.739 -5.795 1.00 0.64 C ATOM 1789 CG ASN A 129 -5.998 6.468 -5.231 1.00 0.68 C ATOM 1790 OD1 ASN A 129 -4.950 6.006 -5.688 1.00 0.81 O ATOM 1791 ND2 ASN A 129 -6.648 5.889 -4.234 1.00 0.89 N ATOM 0 H ASN A 129 -7.963 9.464 -4.159 1.00 0.54 H new ATOM 0 HA ASN A 129 -5.123 8.824 -4.659 1.00 0.59 H new ATOM 0 HB2 ASN A 129 -7.691 7.680 -5.728 1.00 0.64 H new ATOM 0 HB3 ASN A 129 -6.355 7.819 -6.853 1.00 0.64 H new ATOM 0 HD21 ASN A 129 -6.284 5.032 -3.818 1.00 0.89 H new ATOM 0 HD22 ASN A 129 -7.512 6.300 -3.882 1.00 0.89 H new ATOM 1798 N ASN A 130 -7.019 11.022 -6.077 1.00 0.67 N ATOM 1799 CA ASN A 130 -7.013 12.150 -7.001 1.00 0.74 C ATOM 1800 C ASN A 130 -7.073 13.477 -6.258 1.00 0.80 C ATOM 1801 O ASN A 130 -7.907 14.333 -6.628 1.00 0.99 O ATOM 1802 CB ASN A 130 -8.195 12.044 -7.968 1.00 0.82 C ATOM 1803 CG ASN A 130 -7.780 11.579 -9.350 1.00 0.91 C ATOM 1804 OD1 ASN A 130 -6.689 11.893 -9.828 1.00 1.10 O ATOM 1805 ND2 ASN A 130 -8.645 10.819 -10.001 1.00 1.09 N ATOM 0 H ASN A 130 -7.842 10.968 -5.477 1.00 0.67 H new ATOM 0 HA ASN A 130 -6.079 12.117 -7.562 1.00 0.74 H new ATOM 0 HB2 ASN A 130 -8.931 11.350 -7.561 1.00 0.82 H new ATOM 0 HB3 ASN A 130 -8.683 13.016 -8.047 1.00 0.82 H new ATOM 0 HD21 ASN A 130 -8.418 10.471 -10.933 1.00 1.09 H new ATOM 0 HD22 ASN A 130 -9.539 10.581 -9.571 1.00 1.09 H new ATOM 1813 N ALA B 26 37.289 -7.889 7.379 1.00 1.24 N ATOM 1814 CA ALA B 26 36.352 -7.286 8.349 1.00 1.15 C ATOM 1815 C ALA B 26 34.928 -7.321 7.806 1.00 1.06 C ATOM 1816 O ALA B 26 34.590 -6.567 6.894 1.00 1.08 O ATOM 1817 CB ALA B 26 36.770 -5.860 8.665 1.00 1.27 C ATOM 0 HA ALA B 26 36.380 -7.867 9.271 1.00 1.15 H new ATOM 0 HB1 ALA B 26 36.072 -5.426 9.381 1.00 1.27 H new ATOM 0 HB2 ALA B 26 37.773 -5.861 9.091 1.00 1.27 H new ATOM 0 HB3 ALA B 26 36.765 -5.268 7.750 1.00 1.27 H new ATOM 1825 N PRO B 27 34.079 -8.215 8.340 1.00 1.03 N ATOM 1826 CA PRO B 27 32.688 -8.334 7.897 1.00 0.98 C ATOM 1827 C PRO B 27 31.838 -7.150 8.356 1.00 0.96 C ATOM 1828 O PRO B 27 32.028 -6.626 9.457 1.00 1.05 O ATOM 1829 CB PRO B 27 32.215 -9.628 8.558 1.00 1.03 C ATOM 1830 CG PRO B 27 33.076 -9.792 9.759 1.00 1.15 C ATOM 1831 CD PRO B 27 34.407 -9.180 9.409 1.00 1.12 C ATOM 0 HA PRO B 27 32.600 -8.344 6.811 1.00 0.98 H new ATOM 0 HB2 PRO B 27 31.162 -9.567 8.834 1.00 1.03 H new ATOM 0 HB3 PRO B 27 32.318 -10.476 7.881 1.00 1.03 H new ATOM 0 HG2 PRO B 27 32.635 -9.297 10.624 1.00 1.15 H new ATOM 0 HG3 PRO B 27 33.188 -10.845 10.017 1.00 1.15 H new ATOM 0 HD2 PRO B 27 34.859 -8.686 10.269 1.00 1.12 H new ATOM 0 HD3 PRO B 27 35.116 -9.933 9.065 1.00 1.12 H new ATOM 1839 N ALA B 28 30.906 -6.728 7.514 1.00 0.95 N ATOM 1840 CA ALA B 28 30.049 -5.596 7.840 1.00 0.96 C ATOM 1841 C ALA B 28 28.581 -5.920 7.586 1.00 0.90 C ATOM 1842 O ALA B 28 27.810 -5.048 7.180 1.00 0.88 O ATOM 1843 CB ALA B 28 30.472 -4.377 7.034 1.00 1.04 C ATOM 0 H ALA B 28 30.724 -7.150 6.603 1.00 0.95 H new ATOM 0 HA ALA B 28 30.160 -5.379 8.902 1.00 0.96 H new ATOM 0 HB1 ALA B 28 29.827 -3.534 7.283 1.00 1.04 H new ATOM 0 HB2 ALA B 28 31.506 -4.125 7.271 1.00 1.04 H new ATOM 0 HB3 ALA B 28 30.387 -4.597 5.970 1.00 1.04 H new ATOM 1849 N GLU B 29 28.201 -7.167 7.857 1.00 0.93 N ATOM 1850 CA GLU B 29 26.827 -7.637 7.661 1.00 0.90 C ATOM 1851 C GLU B 29 26.401 -7.509 6.198 1.00 0.85 C ATOM 1852 O GLU B 29 25.839 -6.493 5.785 1.00 0.82 O ATOM 1853 CB GLU B 29 25.853 -6.883 8.575 1.00 0.91 C ATOM 1854 CG GLU B 29 26.142 -7.069 10.055 1.00 1.14 C ATOM 1855 CD GLU B 29 25.244 -6.223 10.935 1.00 1.10 C ATOM 1856 OE1 GLU B 29 25.341 -4.977 10.868 1.00 1.30 O ATOM 1857 OE2 GLU B 29 24.445 -6.797 11.708 1.00 1.29 O ATOM 0 H GLU B 29 28.834 -7.881 8.218 1.00 0.93 H new ATOM 0 HA GLU B 29 26.799 -8.693 7.929 1.00 0.90 H new ATOM 0 HB2 GLU B 29 25.892 -5.820 8.336 1.00 0.91 H new ATOM 0 HB3 GLU B 29 24.837 -7.219 8.366 1.00 0.91 H new ATOM 0 HG2 GLU B 29 26.016 -8.120 10.317 1.00 1.14 H new ATOM 0 HG3 GLU B 29 27.183 -6.814 10.253 1.00 1.14 H new ATOM 1864 N PRO B 30 26.649 -8.559 5.395 1.00 0.88 N ATOM 1865 CA PRO B 30 26.297 -8.578 3.970 1.00 0.88 C ATOM 1866 C PRO B 30 24.814 -8.854 3.739 1.00 0.82 C ATOM 1867 O PRO B 30 24.431 -9.489 2.754 1.00 0.85 O ATOM 1868 CB PRO B 30 27.147 -9.723 3.426 1.00 1.00 C ATOM 1869 CG PRO B 30 27.297 -10.663 4.569 1.00 1.07 C ATOM 1870 CD PRO B 30 27.295 -9.820 5.817 1.00 0.98 C ATOM 0 HA PRO B 30 26.480 -7.619 3.486 1.00 0.88 H new ATOM 0 HB2 PRO B 30 26.663 -10.206 2.578 1.00 1.00 H new ATOM 0 HB3 PRO B 30 28.116 -9.365 3.078 1.00 1.00 H new ATOM 0 HG2 PRO B 30 26.481 -11.385 4.587 1.00 1.07 H new ATOM 0 HG3 PRO B 30 28.224 -11.231 4.486 1.00 1.07 H new ATOM 0 HD2 PRO B 30 26.742 -10.302 6.623 1.00 0.98 H new ATOM 0 HD3 PRO B 30 28.307 -9.647 6.184 1.00 0.98 H new ATOM 1878 N LYS B 31 23.980 -8.374 4.647 1.00 0.78 N ATOM 1879 CA LYS B 31 22.542 -8.562 4.546 1.00 0.74 C ATOM 1880 C LYS B 31 21.941 -7.518 3.620 1.00 0.69 C ATOM 1881 O LYS B 31 21.625 -6.407 4.044 1.00 0.73 O ATOM 1882 CB LYS B 31 21.887 -8.482 5.925 1.00 0.76 C ATOM 1883 CG LYS B 31 21.275 -9.794 6.384 1.00 0.92 C ATOM 1884 CD LYS B 31 19.992 -10.109 5.629 1.00 1.11 C ATOM 1885 CE LYS B 31 19.513 -11.525 5.906 1.00 1.32 C ATOM 1886 NZ LYS B 31 19.427 -11.813 7.362 1.00 1.45 N ATOM 0 H LYS B 31 24.277 -7.847 5.468 1.00 0.78 H new ATOM 0 HA LYS B 31 22.354 -9.553 4.133 1.00 0.74 H new ATOM 0 HB2 LYS B 31 22.632 -8.163 6.654 1.00 0.76 H new ATOM 0 HB3 LYS B 31 21.112 -7.716 5.906 1.00 0.76 H new ATOM 0 HG2 LYS B 31 21.992 -10.602 6.237 1.00 0.92 H new ATOM 0 HG3 LYS B 31 21.066 -9.744 7.453 1.00 0.92 H new ATOM 0 HD2 LYS B 31 19.216 -9.399 5.916 1.00 1.11 H new ATOM 0 HD3 LYS B 31 20.158 -9.983 4.559 1.00 1.11 H new ATOM 0 HE2 LYS B 31 18.534 -11.672 5.450 1.00 1.32 H new ATOM 0 HE3 LYS B 31 20.193 -12.235 5.436 1.00 1.32 H new ATOM 0 HZ1 LYS B 31 18.910 -12.703 7.510 1.00 1.45 H new ATOM 0 HZ2 LYS B 31 20.386 -11.899 7.756 1.00 1.45 H new ATOM 0 HZ3 LYS B 31 18.925 -11.038 7.840 1.00 1.45 H new ATOM 1900 N ILE B 32 21.803 -7.877 2.355 1.00 0.68 N ATOM 1901 CA ILE B 32 21.244 -6.985 1.355 1.00 0.66 C ATOM 1902 C ILE B 32 19.732 -7.178 1.255 1.00 0.62 C ATOM 1903 O ILE B 32 19.251 -8.285 0.997 1.00 0.67 O ATOM 1904 CB ILE B 32 21.896 -7.222 -0.028 1.00 0.71 C ATOM 1905 CG1 ILE B 32 23.365 -6.795 -0.004 1.00 0.88 C ATOM 1906 CG2 ILE B 32 21.146 -6.470 -1.117 1.00 0.80 C ATOM 1907 CD1 ILE B 32 24.328 -7.928 -0.277 1.00 1.20 C ATOM 0 H ILE B 32 22.074 -8.791 1.994 1.00 0.68 H new ATOM 0 HA ILE B 32 21.454 -5.961 1.665 1.00 0.66 H new ATOM 0 HB ILE B 32 21.843 -8.288 -0.251 1.00 0.71 H new ATOM 0 HG12 ILE B 32 23.519 -6.011 -0.746 1.00 0.88 H new ATOM 0 HG13 ILE B 32 23.593 -6.362 0.970 1.00 0.88 H new ATOM 0 HG21 ILE B 32 21.623 -6.652 -2.080 1.00 0.80 H new ATOM 0 HG22 ILE B 32 20.113 -6.816 -1.153 1.00 0.80 H new ATOM 0 HG23 ILE B 32 21.164 -5.402 -0.900 1.00 0.80 H new ATOM 0 HD11 ILE B 32 25.351 -7.552 -0.244 1.00 1.20 H new ATOM 0 HD12 ILE B 32 24.202 -8.703 0.479 1.00 1.20 H new ATOM 0 HD13 ILE B 32 24.127 -8.347 -1.263 1.00 1.20 H new ATOM 1919 N ILE B 33 18.990 -6.105 1.485 1.00 0.58 N ATOM 1920 CA ILE B 33 17.539 -6.155 1.417 1.00 0.56 C ATOM 1921 C ILE B 33 17.054 -5.697 0.048 1.00 0.54 C ATOM 1922 O ILE B 33 17.731 -4.928 -0.640 1.00 0.60 O ATOM 1923 CB ILE B 33 16.873 -5.290 2.510 1.00 0.56 C ATOM 1924 CG1 ILE B 33 17.238 -3.813 2.339 1.00 0.59 C ATOM 1925 CG2 ILE B 33 17.282 -5.782 3.887 1.00 0.67 C ATOM 1926 CD1 ILE B 33 16.438 -2.881 3.224 1.00 0.67 C ATOM 0 H ILE B 33 19.370 -5.188 1.721 1.00 0.58 H new ATOM 0 HA ILE B 33 17.251 -7.193 1.585 1.00 0.56 H new ATOM 0 HB ILE B 33 15.792 -5.383 2.409 1.00 0.56 H new ATOM 0 HG12 ILE B 33 18.299 -3.683 2.555 1.00 0.59 H new ATOM 0 HG13 ILE B 33 17.087 -3.529 1.298 1.00 0.59 H new ATOM 0 HG21 ILE B 33 16.807 -5.165 4.650 1.00 0.67 H new ATOM 0 HG22 ILE B 33 16.968 -6.818 4.011 1.00 0.67 H new ATOM 0 HG23 ILE B 33 18.365 -5.716 3.990 1.00 0.67 H new ATOM 0 HD11 ILE B 33 16.752 -1.852 3.047 1.00 0.67 H new ATOM 0 HD12 ILE B 33 15.377 -2.981 2.993 1.00 0.67 H new ATOM 0 HD13 ILE B 33 16.608 -3.137 4.270 1.00 0.67 H new ATOM 1938 N LYS B 34 15.886 -6.179 -0.347 1.00 0.53 N ATOM 1939 CA LYS B 34 15.309 -5.831 -1.635 1.00 0.53 C ATOM 1940 C LYS B 34 14.236 -4.764 -1.466 1.00 0.48 C ATOM 1941 O LYS B 34 13.111 -5.051 -1.052 1.00 0.57 O ATOM 1942 CB LYS B 34 14.734 -7.084 -2.302 1.00 0.58 C ATOM 1943 CG LYS B 34 15.745 -8.217 -2.400 1.00 0.76 C ATOM 1944 CD LYS B 34 15.112 -9.506 -2.893 1.00 0.87 C ATOM 1945 CE LYS B 34 14.773 -9.443 -4.375 1.00 1.07 C ATOM 1946 NZ LYS B 34 15.925 -8.972 -5.190 1.00 1.31 N ATOM 0 H LYS B 34 15.317 -6.816 0.210 1.00 0.53 H new ATOM 0 HA LYS B 34 16.090 -5.423 -2.277 1.00 0.53 H new ATOM 0 HB2 LYS B 34 13.867 -7.425 -1.737 1.00 0.58 H new ATOM 0 HB3 LYS B 34 14.383 -6.829 -3.302 1.00 0.58 H new ATOM 0 HG2 LYS B 34 16.549 -7.927 -3.076 1.00 0.76 H new ATOM 0 HG3 LYS B 34 16.196 -8.386 -1.422 1.00 0.76 H new ATOM 0 HD2 LYS B 34 15.793 -10.337 -2.712 1.00 0.87 H new ATOM 0 HD3 LYS B 34 14.206 -9.707 -2.322 1.00 0.87 H new ATOM 0 HE2 LYS B 34 14.465 -10.430 -4.719 1.00 1.07 H new ATOM 0 HE3 LYS B 34 13.925 -8.775 -4.525 1.00 1.07 H new ATOM 0 HZ1 LYS B 34 15.796 -9.270 -6.178 1.00 1.31 H new ATOM 0 HZ2 LYS B 34 15.980 -7.934 -5.146 1.00 1.31 H new ATOM 0 HZ3 LYS B 34 16.805 -9.382 -4.817 1.00 1.31 H new ATOM 1960 N VAL B 35 14.593 -3.525 -1.770 1.00 0.44 N ATOM 1961 CA VAL B 35 13.660 -2.418 -1.639 1.00 0.41 C ATOM 1962 C VAL B 35 13.141 -1.979 -3.003 1.00 0.42 C ATOM 1963 O VAL B 35 13.896 -1.494 -3.845 1.00 0.45 O ATOM 1964 CB VAL B 35 14.299 -1.217 -0.893 1.00 0.40 C ATOM 1965 CG1 VAL B 35 15.692 -0.914 -1.422 1.00 0.42 C ATOM 1966 CG2 VAL B 35 13.412 0.019 -0.988 1.00 0.40 C ATOM 0 H VAL B 35 15.519 -3.262 -2.108 1.00 0.44 H new ATOM 0 HA VAL B 35 12.818 -2.773 -1.044 1.00 0.41 H new ATOM 0 HB VAL B 35 14.390 -1.495 0.157 1.00 0.40 H new ATOM 0 HG11 VAL B 35 16.112 -0.068 -0.878 1.00 0.42 H new ATOM 0 HG12 VAL B 35 16.331 -1.786 -1.285 1.00 0.42 H new ATOM 0 HG13 VAL B 35 15.633 -0.671 -2.483 1.00 0.42 H new ATOM 0 HG21 VAL B 35 13.883 0.846 -0.457 1.00 0.40 H new ATOM 0 HG22 VAL B 35 13.277 0.290 -2.035 1.00 0.40 H new ATOM 0 HG23 VAL B 35 12.442 -0.194 -0.540 1.00 0.40 H new ATOM 1976 N THR B 36 11.851 -2.180 -3.224 1.00 0.41 N ATOM 1977 CA THR B 36 11.229 -1.803 -4.478 1.00 0.43 C ATOM 1978 C THR B 36 10.593 -0.425 -4.347 1.00 0.39 C ATOM 1979 O THR B 36 9.678 -0.228 -3.547 1.00 0.40 O ATOM 1980 CB THR B 36 10.163 -2.829 -4.894 1.00 0.48 C ATOM 1981 OG1 THR B 36 10.621 -4.152 -4.583 1.00 0.56 O ATOM 1982 CG2 THR B 36 9.865 -2.727 -6.382 1.00 0.57 C ATOM 0 H THR B 36 11.216 -2.603 -2.548 1.00 0.41 H new ATOM 0 HA THR B 36 12.000 -1.777 -5.248 1.00 0.43 H new ATOM 0 HB THR B 36 9.246 -2.618 -4.343 1.00 0.48 H new ATOM 0 HG1 THR B 36 9.939 -4.805 -4.847 1.00 0.56 H new ATOM 0 HG21 THR B 36 9.108 -3.463 -6.653 1.00 0.57 H new ATOM 0 HG22 THR B 36 9.498 -1.727 -6.612 1.00 0.57 H new ATOM 0 HG23 THR B 36 10.776 -2.918 -6.949 1.00 0.57 H new ATOM 1990 N VAL B 37 11.075 0.525 -5.132 1.00 0.41 N ATOM 1991 CA VAL B 37 10.569 1.885 -5.075 1.00 0.40 C ATOM 1992 C VAL B 37 9.667 2.197 -6.262 1.00 0.43 C ATOM 1993 O VAL B 37 10.100 2.162 -7.419 1.00 0.51 O ATOM 1994 CB VAL B 37 11.718 2.916 -5.037 1.00 0.46 C ATOM 1995 CG1 VAL B 37 11.178 4.324 -4.831 1.00 0.52 C ATOM 1996 CG2 VAL B 37 12.721 2.566 -3.945 1.00 0.46 C ATOM 0 H VAL B 37 11.817 0.378 -5.817 1.00 0.41 H new ATOM 0 HA VAL B 37 9.989 1.959 -4.155 1.00 0.40 H new ATOM 0 HB VAL B 37 12.230 2.884 -5.999 1.00 0.46 H new ATOM 0 HG11 VAL B 37 12.007 5.032 -4.808 1.00 0.52 H new ATOM 0 HG12 VAL B 37 10.506 4.579 -5.650 1.00 0.52 H new ATOM 0 HG13 VAL B 37 10.634 4.371 -3.887 1.00 0.52 H new ATOM 0 HG21 VAL B 37 13.522 3.305 -3.936 1.00 0.46 H new ATOM 0 HG22 VAL B 37 12.219 2.563 -2.977 1.00 0.46 H new ATOM 0 HG23 VAL B 37 13.141 1.579 -4.139 1.00 0.46 H new ATOM 2006 N LYS B 38 8.413 2.491 -5.972 1.00 0.41 N ATOM 2007 CA LYS B 38 7.451 2.841 -7.001 1.00 0.46 C ATOM 2008 C LYS B 38 7.565 4.331 -7.278 1.00 0.50 C ATOM 2009 O LYS B 38 7.121 5.159 -6.480 1.00 0.63 O ATOM 2010 CB LYS B 38 6.026 2.482 -6.562 1.00 0.51 C ATOM 2011 CG LYS B 38 5.833 1.001 -6.266 1.00 0.65 C ATOM 2012 CD LYS B 38 4.396 0.688 -5.859 1.00 0.80 C ATOM 2013 CE LYS B 38 3.444 0.767 -7.045 1.00 1.18 C ATOM 2014 NZ LYS B 38 2.042 0.444 -6.662 1.00 1.38 N ATOM 0 H LYS B 38 8.035 2.494 -5.025 1.00 0.41 H new ATOM 0 HA LYS B 38 7.665 2.277 -7.909 1.00 0.46 H new ATOM 0 HB2 LYS B 38 5.774 3.058 -5.671 1.00 0.51 H new ATOM 0 HB3 LYS B 38 5.328 2.781 -7.344 1.00 0.51 H new ATOM 0 HG2 LYS B 38 6.097 0.417 -7.147 1.00 0.65 H new ATOM 0 HG3 LYS B 38 6.511 0.698 -5.468 1.00 0.65 H new ATOM 0 HD2 LYS B 38 4.351 -0.310 -5.422 1.00 0.80 H new ATOM 0 HD3 LYS B 38 4.075 1.389 -5.088 1.00 0.80 H new ATOM 0 HE2 LYS B 38 3.481 1.769 -7.472 1.00 1.18 H new ATOM 0 HE3 LYS B 38 3.775 0.077 -7.821 1.00 1.18 H new ATOM 0 HZ1 LYS B 38 1.732 -0.410 -7.167 1.00 1.38 H new ATOM 0 HZ2 LYS B 38 1.992 0.277 -5.637 1.00 1.38 H new ATOM 0 HZ3 LYS B 38 1.421 1.239 -6.914 1.00 1.38 H new ATOM 2028 N THR B 39 8.173 4.668 -8.398 1.00 0.55 N ATOM 2029 CA THR B 39 8.384 6.053 -8.772 1.00 0.60 C ATOM 2030 C THR B 39 7.428 6.466 -9.886 1.00 0.65 C ATOM 2031 O THR B 39 6.835 5.604 -10.538 1.00 0.67 O ATOM 2032 CB THR B 39 9.837 6.250 -9.245 1.00 0.64 C ATOM 2033 OG1 THR B 39 10.321 5.040 -9.843 1.00 0.78 O ATOM 2034 CG2 THR B 39 10.740 6.645 -8.088 1.00 0.68 C ATOM 0 H THR B 39 8.534 3.993 -9.072 1.00 0.55 H new ATOM 0 HA THR B 39 8.193 6.676 -7.899 1.00 0.60 H new ATOM 0 HB THR B 39 9.850 7.054 -9.981 1.00 0.64 H new ATOM 0 HG1 THR B 39 11.245 5.170 -10.144 1.00 0.78 H new ATOM 0 HG21 THR B 39 11.759 6.777 -8.451 1.00 0.68 H new ATOM 0 HG22 THR B 39 10.386 7.579 -7.652 1.00 0.68 H new ATOM 0 HG23 THR B 39 10.724 5.862 -7.330 1.00 0.68 H new ATOM 2042 N PRO B 40 7.248 7.781 -10.114 1.00 0.71 N ATOM 2043 CA PRO B 40 6.373 8.290 -11.181 1.00 0.78 C ATOM 2044 C PRO B 40 7.019 8.125 -12.553 1.00 0.81 C ATOM 2045 O PRO B 40 7.017 9.040 -13.378 1.00 0.87 O ATOM 2046 CB PRO B 40 6.226 9.769 -10.828 1.00 0.83 C ATOM 2047 CG PRO B 40 7.480 10.113 -10.108 1.00 0.85 C ATOM 2048 CD PRO B 40 7.866 8.881 -9.341 1.00 0.73 C ATOM 0 HA PRO B 40 5.422 7.760 -11.240 1.00 0.78 H new ATOM 0 HB2 PRO B 40 6.103 10.379 -11.723 1.00 0.83 H new ATOM 0 HB3 PRO B 40 5.350 9.941 -10.202 1.00 0.83 H new ATOM 0 HG2 PRO B 40 8.266 10.400 -10.807 1.00 0.85 H new ATOM 0 HG3 PRO B 40 7.326 10.958 -9.437 1.00 0.85 H new ATOM 0 HD2 PRO B 40 8.949 8.769 -9.280 1.00 0.73 H new ATOM 0 HD3 PRO B 40 7.491 8.912 -8.318 1.00 0.73 H new ATOM 2056 N LYS B 41 7.563 6.943 -12.779 1.00 0.82 N ATOM 2057 CA LYS B 41 8.243 6.619 -14.020 1.00 0.87 C ATOM 2058 C LYS B 41 8.117 5.127 -14.284 1.00 0.84 C ATOM 2059 O LYS B 41 7.677 4.706 -15.355 1.00 0.92 O ATOM 2060 CB LYS B 41 9.718 7.011 -13.922 1.00 0.93 C ATOM 2061 CG LYS B 41 10.393 7.211 -15.270 1.00 1.13 C ATOM 2062 CD LYS B 41 10.466 8.682 -15.642 1.00 1.21 C ATOM 2063 CE LYS B 41 11.161 8.885 -16.978 1.00 1.44 C ATOM 2064 NZ LYS B 41 11.436 10.320 -17.248 1.00 1.37 N ATOM 0 H LYS B 41 7.546 6.178 -12.105 1.00 0.82 H new ATOM 0 HA LYS B 41 7.788 7.172 -14.841 1.00 0.87 H new ATOM 0 HB2 LYS B 41 9.802 7.932 -13.345 1.00 0.93 H new ATOM 0 HB3 LYS B 41 10.253 6.239 -13.370 1.00 0.93 H new ATOM 0 HG2 LYS B 41 11.399 6.792 -15.241 1.00 1.13 H new ATOM 0 HG3 LYS B 41 9.843 6.667 -16.038 1.00 1.13 H new ATOM 0 HD2 LYS B 41 9.459 9.097 -15.688 1.00 1.21 H new ATOM 0 HD3 LYS B 41 11.001 9.229 -14.866 1.00 1.21 H new ATOM 0 HE2 LYS B 41 12.098 8.328 -16.988 1.00 1.44 H new ATOM 0 HE3 LYS B 41 10.540 8.478 -17.776 1.00 1.44 H new ATOM 0 HZ1 LYS B 41 11.911 10.415 -18.168 1.00 1.37 H new ATOM 0 HZ2 LYS B 41 10.540 10.848 -17.264 1.00 1.37 H new ATOM 0 HZ3 LYS B 41 12.050 10.702 -16.501 1.00 1.37 H new ATOM 2078 N GLU B 42 8.492 4.337 -13.289 1.00 0.77 N ATOM 2079 CA GLU B 42 8.423 2.889 -13.380 1.00 0.75 C ATOM 2080 C GLU B 42 8.590 2.284 -11.988 1.00 0.70 C ATOM 2081 O GLU B 42 8.419 2.974 -10.980 1.00 0.73 O ATOM 2082 CB GLU B 42 9.502 2.354 -14.329 1.00 0.83 C ATOM 2083 CG GLU B 42 8.957 1.425 -15.404 1.00 1.03 C ATOM 2084 CD GLU B 42 9.991 1.073 -16.453 1.00 1.08 C ATOM 2085 OE1 GLU B 42 10.309 1.945 -17.293 1.00 1.41 O ATOM 2086 OE2 GLU B 42 10.478 -0.079 -16.455 1.00 1.28 O ATOM 0 H GLU B 42 8.851 4.682 -12.399 1.00 0.77 H new ATOM 0 HA GLU B 42 7.450 2.604 -13.782 1.00 0.75 H new ATOM 0 HB2 GLU B 42 10.004 3.195 -14.807 1.00 0.83 H new ATOM 0 HB3 GLU B 42 10.255 1.822 -13.748 1.00 0.83 H new ATOM 0 HG2 GLU B 42 8.593 0.510 -14.937 1.00 1.03 H new ATOM 0 HG3 GLU B 42 8.102 1.898 -15.887 1.00 1.03 H new ATOM 2093 N LYS B 43 8.908 1.002 -11.933 1.00 0.68 N ATOM 2094 CA LYS B 43 9.110 0.314 -10.669 1.00 0.64 C ATOM 2095 C LYS B 43 10.521 -0.256 -10.632 1.00 0.63 C ATOM 2096 O LYS B 43 10.833 -1.200 -11.360 1.00 0.74 O ATOM 2097 CB LYS B 43 8.079 -0.804 -10.502 1.00 0.67 C ATOM 2098 CG LYS B 43 7.984 -1.351 -9.087 1.00 0.67 C ATOM 2099 CD LYS B 43 7.051 -2.553 -9.012 1.00 0.74 C ATOM 2100 CE LYS B 43 7.668 -3.784 -9.666 1.00 0.83 C ATOM 2101 NZ LYS B 43 6.774 -4.968 -9.576 1.00 0.98 N ATOM 0 H LYS B 43 9.033 0.412 -12.756 1.00 0.68 H new ATOM 0 HA LYS B 43 8.983 1.019 -9.847 1.00 0.64 H new ATOM 0 HB2 LYS B 43 7.100 -0.430 -10.802 1.00 0.67 H new ATOM 0 HB3 LYS B 43 8.330 -1.620 -11.180 1.00 0.67 H new ATOM 0 HG2 LYS B 43 8.977 -1.638 -8.740 1.00 0.67 H new ATOM 0 HG3 LYS B 43 7.626 -0.569 -8.417 1.00 0.67 H new ATOM 0 HD2 LYS B 43 6.821 -2.771 -7.969 1.00 0.74 H new ATOM 0 HD3 LYS B 43 6.108 -2.313 -9.503 1.00 0.74 H new ATOM 0 HE2 LYS B 43 7.882 -3.570 -10.713 1.00 0.83 H new ATOM 0 HE3 LYS B 43 8.620 -4.011 -9.186 1.00 0.83 H new ATOM 0 HZ1 LYS B 43 7.231 -5.783 -10.032 1.00 0.98 H new ATOM 0 HZ2 LYS B 43 6.590 -5.189 -8.577 1.00 0.98 H new ATOM 0 HZ3 LYS B 43 5.875 -4.761 -10.056 1.00 0.98 H new ATOM 2115 N GLU B 44 11.374 0.319 -9.797 1.00 0.59 N ATOM 2116 CA GLU B 44 12.759 -0.124 -9.700 1.00 0.60 C ATOM 2117 C GLU B 44 13.073 -0.644 -8.302 1.00 0.56 C ATOM 2118 O GLU B 44 12.533 -0.151 -7.312 1.00 0.60 O ATOM 2119 CB GLU B 44 13.697 1.031 -10.049 1.00 0.64 C ATOM 2120 CG GLU B 44 14.911 0.599 -10.853 1.00 0.81 C ATOM 2121 CD GLU B 44 14.532 0.010 -12.194 1.00 1.02 C ATOM 2122 OE1 GLU B 44 14.274 0.788 -13.139 1.00 1.21 O ATOM 2123 OE2 GLU B 44 14.502 -1.233 -12.313 1.00 1.24 O ATOM 0 H GLU B 44 11.133 1.092 -9.177 1.00 0.59 H new ATOM 0 HA GLU B 44 12.907 -0.940 -10.407 1.00 0.60 H new ATOM 0 HB2 GLU B 44 13.144 1.781 -10.615 1.00 0.64 H new ATOM 0 HB3 GLU B 44 14.031 1.509 -9.128 1.00 0.64 H new ATOM 0 HG2 GLU B 44 15.566 1.457 -11.007 1.00 0.81 H new ATOM 0 HG3 GLU B 44 15.479 -0.137 -10.283 1.00 0.81 H new ATOM 2130 N GLU B 45 13.940 -1.644 -8.230 1.00 0.56 N ATOM 2131 CA GLU B 45 14.336 -2.226 -6.958 1.00 0.53 C ATOM 2132 C GLU B 45 15.816 -1.967 -6.708 1.00 0.55 C ATOM 2133 O GLU B 45 16.645 -2.130 -7.605 1.00 0.64 O ATOM 2134 CB GLU B 45 14.051 -3.729 -6.950 1.00 0.57 C ATOM 2135 CG GLU B 45 14.130 -4.359 -5.571 1.00 0.58 C ATOM 2136 CD GLU B 45 14.212 -5.866 -5.630 1.00 0.76 C ATOM 2137 OE1 GLU B 45 13.156 -6.526 -5.728 1.00 0.94 O ATOM 2138 OE2 GLU B 45 15.336 -6.404 -5.577 1.00 0.99 O ATOM 0 H GLU B 45 14.384 -2.070 -9.043 1.00 0.56 H new ATOM 0 HA GLU B 45 13.756 -1.760 -6.161 1.00 0.53 H new ATOM 0 HB2 GLU B 45 13.057 -3.903 -7.363 1.00 0.57 H new ATOM 0 HB3 GLU B 45 14.762 -4.228 -7.609 1.00 0.57 H new ATOM 0 HG2 GLU B 45 15.003 -3.971 -5.047 1.00 0.58 H new ATOM 0 HG3 GLU B 45 13.254 -4.068 -4.991 1.00 0.58 H new ATOM 2145 N PHE B 46 16.147 -1.553 -5.496 1.00 0.51 N ATOM 2146 CA PHE B 46 17.527 -1.270 -5.139 1.00 0.54 C ATOM 2147 C PHE B 46 18.042 -2.297 -4.140 1.00 0.54 C ATOM 2148 O PHE B 46 17.258 -2.974 -3.471 1.00 0.54 O ATOM 2149 CB PHE B 46 17.650 0.140 -4.558 1.00 0.53 C ATOM 2150 CG PHE B 46 17.300 1.226 -5.534 1.00 0.58 C ATOM 2151 CD1 PHE B 46 18.162 1.547 -6.572 1.00 0.78 C ATOM 2152 CD2 PHE B 46 16.108 1.921 -5.422 1.00 0.72 C ATOM 2153 CE1 PHE B 46 17.842 2.542 -7.474 1.00 0.90 C ATOM 2154 CE2 PHE B 46 15.781 2.915 -6.322 1.00 0.85 C ATOM 2155 CZ PHE B 46 16.649 3.227 -7.351 1.00 0.87 C ATOM 0 H PHE B 46 15.477 -1.405 -4.741 1.00 0.51 H new ATOM 0 HA PHE B 46 18.134 -1.330 -6.042 1.00 0.54 H new ATOM 0 HB2 PHE B 46 17.000 0.223 -3.687 1.00 0.53 H new ATOM 0 HB3 PHE B 46 18.671 0.292 -4.209 1.00 0.53 H new ATOM 0 HD1 PHE B 46 19.095 1.012 -6.676 1.00 0.78 H new ATOM 0 HD2 PHE B 46 15.425 1.682 -4.620 1.00 0.72 H new ATOM 0 HE1 PHE B 46 18.524 2.785 -8.275 1.00 0.90 H new ATOM 0 HE2 PHE B 46 14.847 3.449 -6.222 1.00 0.85 H new ATOM 0 HZ PHE B 46 16.395 4.004 -8.057 1.00 0.87 H new ATOM 2165 N ALA B 47 19.358 -2.415 -4.055 1.00 0.57 N ATOM 2166 CA ALA B 47 19.987 -3.358 -3.143 1.00 0.60 C ATOM 2167 C ALA B 47 20.824 -2.620 -2.105 1.00 0.60 C ATOM 2168 O ALA B 47 21.902 -2.102 -2.413 1.00 0.66 O ATOM 2169 CB ALA B 47 20.845 -4.343 -3.922 1.00 0.69 C ATOM 0 H ALA B 47 20.015 -1.866 -4.610 1.00 0.57 H new ATOM 0 HA ALA B 47 19.208 -3.912 -2.619 1.00 0.60 H new ATOM 0 HB1 ALA B 47 21.312 -5.045 -3.231 1.00 0.69 H new ATOM 0 HB2 ALA B 47 20.221 -4.890 -4.628 1.00 0.69 H new ATOM 0 HB3 ALA B 47 21.618 -3.801 -4.466 1.00 0.69 H new ATOM 2175 N VAL B 48 20.315 -2.559 -0.881 1.00 0.57 N ATOM 2176 CA VAL B 48 21.007 -1.879 0.208 1.00 0.59 C ATOM 2177 C VAL B 48 21.178 -2.815 1.403 1.00 0.58 C ATOM 2178 O VAL B 48 20.359 -3.707 1.620 1.00 0.57 O ATOM 2179 CB VAL B 48 20.264 -0.601 0.657 1.00 0.59 C ATOM 2180 CG1 VAL B 48 20.511 0.533 -0.324 1.00 0.66 C ATOM 2181 CG2 VAL B 48 18.772 -0.861 0.806 1.00 0.56 C ATOM 0 H VAL B 48 19.422 -2.974 -0.616 1.00 0.57 H new ATOM 0 HA VAL B 48 21.986 -1.587 -0.171 1.00 0.59 H new ATOM 0 HB VAL B 48 20.656 -0.308 1.631 1.00 0.59 H new ATOM 0 HG11 VAL B 48 19.980 1.424 0.009 1.00 0.66 H new ATOM 0 HG12 VAL B 48 21.579 0.745 -0.374 1.00 0.66 H new ATOM 0 HG13 VAL B 48 20.152 0.244 -1.312 1.00 0.66 H new ATOM 0 HG21 VAL B 48 18.273 0.055 1.123 1.00 0.56 H new ATOM 0 HG22 VAL B 48 18.362 -1.185 -0.150 1.00 0.56 H new ATOM 0 HG23 VAL B 48 18.611 -1.639 1.552 1.00 0.56 H new ATOM 2191 N PRO B 49 22.259 -2.640 2.177 1.00 0.62 N ATOM 2192 CA PRO B 49 22.536 -3.471 3.348 1.00 0.63 C ATOM 2193 C PRO B 49 21.741 -3.048 4.588 1.00 0.60 C ATOM 2194 O PRO B 49 21.346 -1.886 4.728 1.00 0.61 O ATOM 2195 CB PRO B 49 24.032 -3.257 3.569 1.00 0.69 C ATOM 2196 CG PRO B 49 24.311 -1.886 3.052 1.00 0.79 C ATOM 2197 CD PRO B 49 23.308 -1.621 1.960 1.00 0.67 C ATOM 0 HA PRO B 49 22.250 -4.510 3.186 1.00 0.63 H new ATOM 0 HB2 PRO B 49 24.290 -3.340 4.625 1.00 0.69 H new ATOM 0 HB3 PRO B 49 24.620 -4.006 3.038 1.00 0.69 H new ATOM 0 HG2 PRO B 49 24.221 -1.147 3.848 1.00 0.79 H new ATOM 0 HG3 PRO B 49 25.329 -1.817 2.667 1.00 0.79 H new ATOM 0 HD2 PRO B 49 22.903 -0.611 2.028 1.00 0.67 H new ATOM 0 HD3 PRO B 49 23.759 -1.718 0.973 1.00 0.67 H new ATOM 2205 N GLU B 50 21.536 -4.000 5.493 1.00 0.61 N ATOM 2206 CA GLU B 50 20.790 -3.773 6.732 1.00 0.61 C ATOM 2207 C GLU B 50 21.632 -3.050 7.789 1.00 0.67 C ATOM 2208 O GLU B 50 21.461 -3.279 8.990 1.00 1.01 O ATOM 2209 CB GLU B 50 20.310 -5.113 7.302 1.00 0.68 C ATOM 2210 CG GLU B 50 18.815 -5.354 7.154 1.00 0.86 C ATOM 2211 CD GLU B 50 18.340 -6.569 7.925 1.00 0.93 C ATOM 2212 OE1 GLU B 50 18.554 -6.614 9.156 1.00 1.12 O ATOM 2213 OE2 GLU B 50 17.738 -7.476 7.313 1.00 1.08 O ATOM 0 H GLU B 50 21.882 -4.954 5.390 1.00 0.61 H new ATOM 0 HA GLU B 50 19.939 -3.137 6.487 1.00 0.61 H new ATOM 0 HB2 GLU B 50 20.848 -5.920 6.805 1.00 0.68 H new ATOM 0 HB3 GLU B 50 20.571 -5.160 8.359 1.00 0.68 H new ATOM 0 HG2 GLU B 50 18.273 -4.474 7.501 1.00 0.86 H new ATOM 0 HG3 GLU B 50 18.574 -5.481 6.099 1.00 0.86 H new ATOM 2220 N ASN B 51 22.525 -2.171 7.358 1.00 0.67 N ATOM 2221 CA ASN B 51 23.373 -1.442 8.295 1.00 0.69 C ATOM 2222 C ASN B 51 23.546 0.020 7.885 1.00 0.71 C ATOM 2223 O ASN B 51 24.119 0.815 8.628 1.00 0.96 O ATOM 2224 CB ASN B 51 24.737 -2.128 8.429 1.00 0.76 C ATOM 2225 CG ASN B 51 25.706 -1.737 7.331 1.00 0.86 C ATOM 2226 OD1 ASN B 51 25.545 -2.132 6.177 1.00 0.87 O ATOM 2227 ND2 ASN B 51 26.732 -0.982 7.686 1.00 1.20 N ATOM 0 H ASN B 51 22.682 -1.945 6.376 1.00 0.67 H new ATOM 0 HA ASN B 51 22.876 -1.453 9.265 1.00 0.69 H new ATOM 0 HB2 ASN B 51 25.171 -1.875 9.396 1.00 0.76 H new ATOM 0 HB3 ASN B 51 24.597 -3.209 8.415 1.00 0.76 H new ATOM 0 HD21 ASN B 51 27.427 -0.706 6.992 1.00 1.20 H new ATOM 0 HD22 ASN B 51 26.829 -0.675 8.654 1.00 1.20 H new ATOM 2234 N SER B 52 23.046 0.377 6.711 1.00 0.65 N ATOM 2235 CA SER B 52 23.153 1.745 6.231 1.00 0.67 C ATOM 2236 C SER B 52 21.864 2.511 6.514 1.00 0.63 C ATOM 2237 O SER B 52 20.768 1.958 6.397 1.00 0.68 O ATOM 2238 CB SER B 52 23.478 1.751 4.737 1.00 0.71 C ATOM 2239 OG SER B 52 24.705 1.084 4.486 1.00 0.86 O ATOM 0 H SER B 52 22.564 -0.260 6.076 1.00 0.65 H new ATOM 0 HA SER B 52 23.964 2.245 6.761 1.00 0.67 H new ATOM 0 HB2 SER B 52 22.675 1.265 4.183 1.00 0.71 H new ATOM 0 HB3 SER B 52 23.537 2.778 4.377 1.00 0.71 H new ATOM 0 HG SER B 52 24.894 1.097 3.524 1.00 0.86 H new ATOM 2245 N SER B 53 21.998 3.778 6.889 1.00 0.65 N ATOM 2246 CA SER B 53 20.843 4.610 7.208 1.00 0.64 C ATOM 2247 C SER B 53 20.139 5.103 5.941 1.00 0.57 C ATOM 2248 O SER B 53 20.627 4.900 4.824 1.00 0.58 O ATOM 2249 CB SER B 53 21.285 5.792 8.071 1.00 0.75 C ATOM 2250 OG SER B 53 22.252 5.383 9.024 1.00 0.89 O ATOM 0 H SER B 53 22.896 4.252 6.980 1.00 0.65 H new ATOM 0 HA SER B 53 20.127 4.005 7.764 1.00 0.64 H new ATOM 0 HB2 SER B 53 21.700 6.576 7.438 1.00 0.75 H new ATOM 0 HB3 SER B 53 20.422 6.219 8.582 1.00 0.75 H new ATOM 0 HG SER B 53 22.524 6.153 9.566 1.00 0.89 H new ATOM 2256 N VAL B 54 18.998 5.762 6.125 1.00 0.54 N ATOM 2257 CA VAL B 54 18.203 6.275 5.011 1.00 0.49 C ATOM 2258 C VAL B 54 18.947 7.368 4.246 1.00 0.48 C ATOM 2259 O VAL B 54 18.731 7.552 3.048 1.00 0.47 O ATOM 2260 CB VAL B 54 16.846 6.818 5.504 1.00 0.52 C ATOM 2261 CG1 VAL B 54 15.950 7.206 4.335 1.00 0.57 C ATOM 2262 CG2 VAL B 54 16.153 5.784 6.370 1.00 0.58 C ATOM 0 H VAL B 54 18.600 5.955 7.044 1.00 0.54 H new ATOM 0 HA VAL B 54 18.027 5.439 4.334 1.00 0.49 H new ATOM 0 HB VAL B 54 17.036 7.713 6.097 1.00 0.52 H new ATOM 0 HG11 VAL B 54 15.001 7.585 4.714 1.00 0.57 H new ATOM 0 HG12 VAL B 54 16.439 7.979 3.743 1.00 0.57 H new ATOM 0 HG13 VAL B 54 15.768 6.332 3.710 1.00 0.57 H new ATOM 0 HG21 VAL B 54 15.196 6.178 6.712 1.00 0.58 H new ATOM 0 HG22 VAL B 54 15.985 4.877 5.789 1.00 0.58 H new ATOM 0 HG23 VAL B 54 16.779 5.552 7.232 1.00 0.58 H new ATOM 2272 N GLN B 55 19.830 8.081 4.936 1.00 0.53 N ATOM 2273 CA GLN B 55 20.607 9.149 4.318 1.00 0.58 C ATOM 2274 C GLN B 55 21.417 8.618 3.137 1.00 0.58 C ATOM 2275 O GLN B 55 21.555 9.287 2.112 1.00 0.64 O ATOM 2276 CB GLN B 55 21.528 9.798 5.349 1.00 0.67 C ATOM 2277 CG GLN B 55 20.801 10.715 6.323 1.00 0.88 C ATOM 2278 CD GLN B 55 21.729 11.338 7.349 1.00 0.92 C ATOM 2279 OE1 GLN B 55 22.923 11.499 7.110 1.00 1.13 O ATOM 2280 NE2 GLN B 55 21.183 11.693 8.500 1.00 1.23 N ATOM 0 H GLN B 55 20.026 7.938 5.927 1.00 0.53 H new ATOM 0 HA GLN B 55 19.915 9.903 3.943 1.00 0.58 H new ATOM 0 HB2 GLN B 55 22.039 9.016 5.911 1.00 0.67 H new ATOM 0 HB3 GLN B 55 22.296 10.370 4.829 1.00 0.67 H new ATOM 0 HG2 GLN B 55 20.300 11.506 5.765 1.00 0.88 H new ATOM 0 HG3 GLN B 55 20.025 10.148 6.838 1.00 0.88 H new ATOM 0 HE21 GLN B 55 20.187 11.542 8.660 1.00 1.23 H new ATOM 0 HE22 GLN B 55 21.758 12.117 9.228 1.00 1.23 H new ATOM 2289 N GLN B 56 21.941 7.408 3.283 1.00 0.56 N ATOM 2290 CA GLN B 56 22.729 6.780 2.230 1.00 0.60 C ATOM 2291 C GLN B 56 21.830 6.378 1.068 1.00 0.55 C ATOM 2292 O GLN B 56 22.185 6.547 -0.100 1.00 0.62 O ATOM 2293 CB GLN B 56 23.440 5.543 2.776 1.00 0.65 C ATOM 2294 CG GLN B 56 24.885 5.419 2.325 1.00 0.80 C ATOM 2295 CD GLN B 56 25.818 6.298 3.129 1.00 1.02 C ATOM 2296 OE1 GLN B 56 26.277 5.911 4.200 1.00 1.35 O ATOM 2297 NE2 GLN B 56 26.112 7.480 2.616 1.00 1.27 N ATOM 0 H GLN B 56 21.834 6.840 4.123 1.00 0.56 H new ATOM 0 HA GLN B 56 23.471 7.496 1.877 1.00 0.60 H new ATOM 0 HB2 GLN B 56 23.410 5.569 3.865 1.00 0.65 H new ATOM 0 HB3 GLN B 56 22.894 4.653 2.463 1.00 0.65 H new ATOM 0 HG2 GLN B 56 25.203 4.380 2.414 1.00 0.80 H new ATOM 0 HG3 GLN B 56 24.958 5.686 1.271 1.00 0.80 H new ATOM 0 HE21 GLN B 56 25.709 7.763 1.723 1.00 1.27 H new ATOM 0 HE22 GLN B 56 26.742 8.109 3.113 1.00 1.27 H new ATOM 2306 N PHE B 57 20.662 5.854 1.408 1.00 0.50 N ATOM 2307 CA PHE B 57 19.696 5.400 0.417 1.00 0.49 C ATOM 2308 C PHE B 57 19.154 6.566 -0.408 1.00 0.47 C ATOM 2309 O PHE B 57 19.085 6.488 -1.633 1.00 0.49 O ATOM 2310 CB PHE B 57 18.546 4.667 1.115 1.00 0.48 C ATOM 2311 CG PHE B 57 17.544 4.056 0.175 1.00 0.50 C ATOM 2312 CD1 PHE B 57 17.957 3.231 -0.859 1.00 0.56 C ATOM 2313 CD2 PHE B 57 16.186 4.301 0.328 1.00 0.53 C ATOM 2314 CE1 PHE B 57 17.038 2.661 -1.721 1.00 0.64 C ATOM 2315 CE2 PHE B 57 15.263 3.735 -0.532 1.00 0.59 C ATOM 2316 CZ PHE B 57 15.690 2.915 -1.557 1.00 0.64 C ATOM 0 H PHE B 57 20.357 5.732 2.374 1.00 0.50 H new ATOM 0 HA PHE B 57 20.202 4.717 -0.265 1.00 0.49 H new ATOM 0 HB2 PHE B 57 18.961 3.882 1.747 1.00 0.48 H new ATOM 0 HB3 PHE B 57 18.031 5.366 1.773 1.00 0.48 H new ATOM 0 HD1 PHE B 57 19.010 3.031 -0.993 1.00 0.56 H new ATOM 0 HD2 PHE B 57 15.846 4.941 1.129 1.00 0.53 H new ATOM 0 HE1 PHE B 57 17.374 2.018 -2.521 1.00 0.64 H new ATOM 0 HE2 PHE B 57 14.210 3.934 -0.402 1.00 0.59 H new ATOM 0 HZ PHE B 57 14.971 2.472 -2.230 1.00 0.64 H new ATOM 2326 N LYS B 58 18.784 7.643 0.273 1.00 0.47 N ATOM 2327 CA LYS B 58 18.240 8.824 -0.386 1.00 0.48 C ATOM 2328 C LYS B 58 19.202 9.378 -1.428 1.00 0.49 C ATOM 2329 O LYS B 58 18.835 9.546 -2.589 1.00 0.53 O ATOM 2330 CB LYS B 58 17.916 9.907 0.639 1.00 0.53 C ATOM 2331 CG LYS B 58 16.621 9.664 1.397 1.00 0.62 C ATOM 2332 CD LYS B 58 16.311 10.812 2.342 1.00 0.70 C ATOM 2333 CE LYS B 58 15.922 12.069 1.579 1.00 0.77 C ATOM 2334 NZ LYS B 58 16.512 13.296 2.177 1.00 1.01 N ATOM 0 H LYS B 58 18.851 7.723 1.288 1.00 0.47 H new ATOM 0 HA LYS B 58 17.325 8.520 -0.893 1.00 0.48 H new ATOM 0 HB2 LYS B 58 18.737 9.976 1.353 1.00 0.53 H new ATOM 0 HB3 LYS B 58 17.854 10.869 0.130 1.00 0.53 H new ATOM 0 HG2 LYS B 58 15.801 9.541 0.690 1.00 0.62 H new ATOM 0 HG3 LYS B 58 16.697 8.735 1.962 1.00 0.62 H new ATOM 0 HD2 LYS B 58 15.500 10.525 3.012 1.00 0.70 H new ATOM 0 HD3 LYS B 58 17.181 11.017 2.965 1.00 0.70 H new ATOM 0 HE2 LYS B 58 16.249 11.979 0.543 1.00 0.77 H new ATOM 0 HE3 LYS B 58 14.836 12.161 1.564 1.00 0.77 H new ATOM 0 HZ1 LYS B 58 16.532 14.054 1.465 1.00 1.01 H new ATOM 0 HZ2 LYS B 58 15.936 13.598 2.989 1.00 1.01 H new ATOM 0 HZ3 LYS B 58 17.481 13.095 2.496 1.00 1.01 H new ATOM 2348 N GLU B 59 20.439 9.635 -1.014 1.00 0.51 N ATOM 2349 CA GLU B 59 21.451 10.180 -1.917 1.00 0.56 C ATOM 2350 C GLU B 59 21.765 9.216 -3.055 1.00 0.57 C ATOM 2351 O GLU B 59 22.192 9.635 -4.133 1.00 0.65 O ATOM 2352 CB GLU B 59 22.723 10.532 -1.147 1.00 0.63 C ATOM 2353 CG GLU B 59 22.776 11.991 -0.728 1.00 1.06 C ATOM 2354 CD GLU B 59 23.807 12.267 0.345 1.00 0.97 C ATOM 2355 OE1 GLU B 59 24.759 11.473 0.493 1.00 1.30 O ATOM 2356 OE2 GLU B 59 23.665 13.286 1.054 1.00 1.14 O ATOM 0 H GLU B 59 20.766 9.475 -0.061 1.00 0.51 H new ATOM 0 HA GLU B 59 21.044 11.090 -2.358 1.00 0.56 H new ATOM 0 HB2 GLU B 59 22.791 9.902 -0.260 1.00 0.63 H new ATOM 0 HB3 GLU B 59 23.591 10.305 -1.766 1.00 0.63 H new ATOM 0 HG2 GLU B 59 22.997 12.605 -1.601 1.00 1.06 H new ATOM 0 HG3 GLU B 59 21.794 12.294 -0.365 1.00 1.06 H new ATOM 2363 N ALA B 60 21.552 7.928 -2.817 1.00 0.55 N ATOM 2364 CA ALA B 60 21.800 6.918 -3.834 1.00 0.57 C ATOM 2365 C ALA B 60 20.755 7.024 -4.937 1.00 0.56 C ATOM 2366 O ALA B 60 21.078 6.944 -6.123 1.00 0.59 O ATOM 2367 CB ALA B 60 21.795 5.523 -3.222 1.00 0.59 C ATOM 0 H ALA B 60 21.209 7.560 -1.930 1.00 0.55 H new ATOM 0 HA ALA B 60 22.786 7.092 -4.266 1.00 0.57 H new ATOM 0 HB1 ALA B 60 21.982 4.783 -4.001 1.00 0.59 H new ATOM 0 HB2 ALA B 60 22.574 5.456 -2.463 1.00 0.59 H new ATOM 0 HB3 ALA B 60 20.825 5.330 -2.764 1.00 0.59 H new ATOM 2373 N ILE B 61 19.503 7.234 -4.540 1.00 0.52 N ATOM 2374 CA ILE B 61 18.408 7.360 -5.492 1.00 0.52 C ATOM 2375 C ILE B 61 18.598 8.602 -6.355 1.00 0.55 C ATOM 2376 O ILE B 61 18.464 8.549 -7.577 1.00 0.59 O ATOM 2377 CB ILE B 61 17.035 7.440 -4.792 1.00 0.50 C ATOM 2378 CG1 ILE B 61 16.837 6.250 -3.852 1.00 0.51 C ATOM 2379 CG2 ILE B 61 15.913 7.490 -5.822 1.00 0.52 C ATOM 2380 CD1 ILE B 61 15.643 6.407 -2.933 1.00 0.56 C ATOM 0 H ILE B 61 19.223 7.320 -3.563 1.00 0.52 H new ATOM 0 HA ILE B 61 18.423 6.464 -6.113 1.00 0.52 H new ATOM 0 HB ILE B 61 17.007 8.355 -4.201 1.00 0.50 H new ATOM 0 HG12 ILE B 61 16.714 5.344 -4.445 1.00 0.51 H new ATOM 0 HG13 ILE B 61 17.736 6.118 -3.250 1.00 0.51 H new ATOM 0 HG21 ILE B 61 14.952 7.546 -5.311 1.00 0.52 H new ATOM 0 HG22 ILE B 61 16.039 8.368 -6.455 1.00 0.52 H new ATOM 0 HG23 ILE B 61 15.944 6.591 -6.438 1.00 0.52 H new ATOM 0 HD11 ILE B 61 15.559 5.529 -2.293 1.00 0.56 H new ATOM 0 HD12 ILE B 61 15.774 7.296 -2.315 1.00 0.56 H new ATOM 0 HD13 ILE B 61 14.736 6.509 -3.529 1.00 0.56 H new ATOM 2392 N SER B 62 18.934 9.714 -5.712 1.00 0.55 N ATOM 2393 CA SER B 62 19.142 10.974 -6.413 1.00 0.59 C ATOM 2394 C SER B 62 20.335 10.893 -7.369 1.00 0.63 C ATOM 2395 O SER B 62 20.449 11.688 -8.302 1.00 0.70 O ATOM 2396 CB SER B 62 19.352 12.095 -5.399 1.00 0.61 C ATOM 2397 OG SER B 62 18.464 11.948 -4.302 1.00 0.70 O ATOM 0 H SER B 62 19.069 9.768 -4.702 1.00 0.55 H new ATOM 0 HA SER B 62 18.255 11.184 -7.010 1.00 0.59 H new ATOM 0 HB2 SER B 62 20.382 12.083 -5.044 1.00 0.61 H new ATOM 0 HB3 SER B 62 19.191 13.061 -5.878 1.00 0.61 H new ATOM 0 HG SER B 62 17.613 12.388 -4.509 1.00 0.70 H new ATOM 2403 N LYS B 63 21.219 9.928 -7.146 1.00 0.63 N ATOM 2404 CA LYS B 63 22.387 9.764 -7.995 1.00 0.69 C ATOM 2405 C LYS B 63 22.127 8.738 -9.099 1.00 0.71 C ATOM 2406 O LYS B 63 22.558 8.918 -10.239 1.00 0.82 O ATOM 2407 CB LYS B 63 23.595 9.336 -7.155 1.00 0.72 C ATOM 2408 CG LYS B 63 24.935 9.731 -7.756 1.00 0.84 C ATOM 2409 CD LYS B 63 24.956 11.205 -8.126 1.00 1.00 C ATOM 2410 CE LYS B 63 26.360 11.780 -8.079 1.00 1.04 C ATOM 2411 NZ LYS B 63 27.287 11.079 -9.002 1.00 1.28 N ATOM 0 H LYS B 63 21.148 9.251 -6.387 1.00 0.63 H new ATOM 0 HA LYS B 63 22.600 10.724 -8.466 1.00 0.69 H new ATOM 0 HB2 LYS B 63 23.509 9.777 -6.162 1.00 0.72 H new ATOM 0 HB3 LYS B 63 23.571 8.254 -7.026 1.00 0.72 H new ATOM 0 HG2 LYS B 63 25.733 9.520 -7.044 1.00 0.84 H new ATOM 0 HG3 LYS B 63 25.132 9.128 -8.642 1.00 0.84 H new ATOM 0 HD2 LYS B 63 24.544 11.334 -9.127 1.00 1.00 H new ATOM 0 HD3 LYS B 63 24.313 11.760 -7.443 1.00 1.00 H new ATOM 0 HE2 LYS B 63 26.326 12.838 -8.337 1.00 1.04 H new ATOM 0 HE3 LYS B 63 26.744 11.712 -7.061 1.00 1.04 H new ATOM 0 HZ1 LYS B 63 28.199 11.579 -9.024 1.00 1.28 H new ATOM 0 HZ2 LYS B 63 27.434 10.104 -8.672 1.00 1.28 H new ATOM 0 HZ3 LYS B 63 26.878 11.062 -9.958 1.00 1.28 H new ATOM 2425 N ARG B 64 21.421 7.666 -8.758 1.00 0.67 N ATOM 2426 CA ARG B 64 21.122 6.613 -9.719 1.00 0.70 C ATOM 2427 C ARG B 64 19.949 6.985 -10.621 1.00 0.70 C ATOM 2428 O ARG B 64 20.009 6.789 -11.834 1.00 0.75 O ATOM 2429 CB ARG B 64 20.821 5.299 -8.999 1.00 0.70 C ATOM 2430 CG ARG B 64 22.032 4.671 -8.328 1.00 0.72 C ATOM 2431 CD ARG B 64 23.016 4.112 -9.346 1.00 0.81 C ATOM 2432 NE ARG B 64 23.992 5.110 -9.795 1.00 0.84 N ATOM 2433 CZ ARG B 64 25.236 5.202 -9.325 1.00 0.95 C ATOM 2434 NH1 ARG B 64 25.656 4.365 -8.383 1.00 1.05 N ATOM 2435 NH2 ARG B 64 26.060 6.131 -9.796 1.00 1.07 N ATOM 0 H ARG B 64 21.046 7.504 -7.824 1.00 0.67 H new ATOM 0 HA ARG B 64 22.005 6.489 -10.346 1.00 0.70 H new ATOM 0 HB2 ARG B 64 20.053 5.476 -8.247 1.00 0.70 H new ATOM 0 HB3 ARG B 64 20.407 4.590 -9.716 1.00 0.70 H new ATOM 0 HG2 ARG B 64 22.533 5.417 -7.710 1.00 0.72 H new ATOM 0 HG3 ARG B 64 21.705 3.872 -7.662 1.00 0.72 H new ATOM 0 HD2 ARG B 64 23.544 3.265 -8.908 1.00 0.81 H new ATOM 0 HD3 ARG B 64 22.466 3.734 -10.208 1.00 0.81 H new ATOM 0 HE ARG B 64 23.701 5.775 -10.511 1.00 0.84 H new ATOM 0 HH11 ARG B 64 25.026 3.650 -8.018 1.00 1.05 H new ATOM 0 HH12 ARG B 64 26.608 4.437 -8.025 1.00 1.05 H new ATOM 0 HH21 ARG B 64 25.741 6.776 -10.519 1.00 1.07 H new ATOM 0 HH22 ARG B 64 27.011 6.199 -9.435 1.00 1.07 H new ATOM 2449 N PHE B 65 18.888 7.520 -10.030 1.00 0.67 N ATOM 2450 CA PHE B 65 17.708 7.904 -10.791 1.00 0.68 C ATOM 2451 C PHE B 65 17.800 9.359 -11.227 1.00 0.70 C ATOM 2452 O PHE B 65 17.392 9.699 -12.336 1.00 0.75 O ATOM 2453 CB PHE B 65 16.438 7.683 -9.967 1.00 0.66 C ATOM 2454 CG PHE B 65 15.396 6.872 -10.681 1.00 0.68 C ATOM 2455 CD1 PHE B 65 15.415 5.486 -10.623 1.00 0.88 C ATOM 2456 CD2 PHE B 65 14.398 7.494 -11.415 1.00 0.82 C ATOM 2457 CE1 PHE B 65 14.458 4.738 -11.282 1.00 1.02 C ATOM 2458 CE2 PHE B 65 13.440 6.751 -12.077 1.00 0.97 C ATOM 2459 CZ PHE B 65 13.469 5.371 -12.009 1.00 1.00 C ATOM 0 H PHE B 65 18.821 7.697 -9.028 1.00 0.67 H new ATOM 0 HA PHE B 65 17.661 7.275 -11.680 1.00 0.68 H new ATOM 0 HB2 PHE B 65 16.701 7.183 -9.035 1.00 0.66 H new ATOM 0 HB3 PHE B 65 16.014 8.651 -9.700 1.00 0.66 H new ATOM 0 HD1 PHE B 65 16.187 4.986 -10.056 1.00 0.88 H new ATOM 0 HD2 PHE B 65 14.369 8.572 -11.470 1.00 0.82 H new ATOM 0 HE1 PHE B 65 14.483 3.660 -11.229 1.00 1.02 H new ATOM 0 HE2 PHE B 65 12.669 7.248 -12.647 1.00 0.97 H new ATOM 0 HZ PHE B 65 12.719 4.788 -12.524 1.00 1.00 H new ATOM 2469 N LYS B 66 18.339 10.201 -10.341 1.00 0.68 N ATOM 2470 CA LYS B 66 18.512 11.633 -10.606 1.00 0.71 C ATOM 2471 C LYS B 66 17.170 12.365 -10.644 1.00 0.70 C ATOM 2472 O LYS B 66 16.373 12.189 -11.567 1.00 0.83 O ATOM 2473 CB LYS B 66 19.285 11.845 -11.913 1.00 0.79 C ATOM 2474 CG LYS B 66 19.573 13.301 -12.234 1.00 0.93 C ATOM 2475 CD LYS B 66 20.400 13.434 -13.503 1.00 1.05 C ATOM 2476 CE LYS B 66 19.686 12.835 -14.705 1.00 1.07 C ATOM 2477 NZ LYS B 66 20.438 13.048 -15.968 1.00 1.27 N ATOM 0 H LYS B 66 18.668 9.910 -9.420 1.00 0.68 H new ATOM 0 HA LYS B 66 19.091 12.056 -9.785 1.00 0.71 H new ATOM 0 HB2 LYS B 66 20.229 11.303 -11.856 1.00 0.79 H new ATOM 0 HB3 LYS B 66 18.716 11.409 -12.734 1.00 0.79 H new ATOM 0 HG2 LYS B 66 18.634 13.842 -12.351 1.00 0.93 H new ATOM 0 HG3 LYS B 66 20.105 13.761 -11.401 1.00 0.93 H new ATOM 0 HD2 LYS B 66 20.610 14.487 -13.692 1.00 1.05 H new ATOM 0 HD3 LYS B 66 21.360 12.937 -13.365 1.00 1.05 H new ATOM 0 HE2 LYS B 66 19.543 11.766 -14.545 1.00 1.07 H new ATOM 0 HE3 LYS B 66 18.695 13.279 -14.795 1.00 1.07 H new ATOM 0 HZ1 LYS B 66 19.914 12.623 -16.760 1.00 1.27 H new ATOM 0 HZ2 LYS B 66 20.553 14.068 -16.136 1.00 1.27 H new ATOM 0 HZ3 LYS B 66 21.375 12.602 -15.894 1.00 1.27 H new ATOM 2491 N SER B 67 16.936 13.190 -9.633 1.00 0.66 N ATOM 2492 CA SER B 67 15.704 13.961 -9.527 1.00 0.68 C ATOM 2493 C SER B 67 15.834 15.007 -8.420 1.00 0.69 C ATOM 2494 O SER B 67 16.165 16.164 -8.684 1.00 0.90 O ATOM 2495 CB SER B 67 14.509 13.035 -9.257 1.00 0.68 C ATOM 2496 OG SER B 67 13.279 13.740 -9.313 1.00 1.34 O ATOM 0 H SER B 67 17.591 13.344 -8.866 1.00 0.66 H new ATOM 0 HA SER B 67 15.530 14.473 -10.473 1.00 0.68 H new ATOM 0 HB2 SER B 67 14.500 12.228 -9.990 1.00 0.68 H new ATOM 0 HB3 SER B 67 14.620 12.573 -8.276 1.00 0.68 H new ATOM 0 HG SER B 67 12.539 13.121 -9.139 1.00 1.34 H new ATOM 2502 N GLN B 68 15.592 14.591 -7.181 1.00 0.59 N ATOM 2503 CA GLN B 68 15.686 15.479 -6.030 1.00 0.59 C ATOM 2504 C GLN B 68 16.284 14.724 -4.853 1.00 0.54 C ATOM 2505 O GLN B 68 16.330 13.493 -4.866 1.00 0.52 O ATOM 2506 CB GLN B 68 14.307 16.043 -5.667 1.00 0.64 C ATOM 2507 CG GLN B 68 14.026 17.391 -6.309 1.00 0.79 C ATOM 2508 CD GLN B 68 12.546 17.672 -6.474 1.00 0.85 C ATOM 2509 OE1 GLN B 68 11.744 16.761 -6.682 1.00 1.14 O ATOM 2510 NE2 GLN B 68 12.181 18.937 -6.387 1.00 1.09 N ATOM 0 H GLN B 68 15.327 13.634 -6.948 1.00 0.59 H new ATOM 0 HA GLN B 68 16.335 16.318 -6.281 1.00 0.59 H new ATOM 0 HB2 GLN B 68 13.539 15.334 -5.975 1.00 0.64 H new ATOM 0 HB3 GLN B 68 14.235 16.141 -4.584 1.00 0.64 H new ATOM 0 HG2 GLN B 68 14.474 18.177 -5.701 1.00 0.79 H new ATOM 0 HG3 GLN B 68 14.509 17.430 -7.286 1.00 0.79 H new ATOM 0 HE21 GLN B 68 12.880 19.659 -6.213 1.00 1.09 H new ATOM 0 HE22 GLN B 68 11.199 19.193 -6.493 1.00 1.09 H new ATOM 2519 N THR B 69 16.745 15.450 -3.847 1.00 0.56 N ATOM 2520 CA THR B 69 17.354 14.823 -2.684 1.00 0.56 C ATOM 2521 C THR B 69 16.610 15.165 -1.390 1.00 0.54 C ATOM 2522 O THR B 69 16.159 14.276 -0.666 1.00 0.55 O ATOM 2523 CB THR B 69 18.832 15.251 -2.556 1.00 0.63 C ATOM 2524 OG1 THR B 69 19.338 15.621 -3.849 1.00 0.74 O ATOM 2525 CG2 THR B 69 19.679 14.128 -1.974 1.00 0.70 C ATOM 0 H THR B 69 16.710 16.469 -3.812 1.00 0.56 H new ATOM 0 HA THR B 69 17.293 13.745 -2.833 1.00 0.56 H new ATOM 0 HB THR B 69 18.887 16.104 -1.880 1.00 0.63 H new ATOM 0 HG1 THR B 69 20.276 15.894 -3.767 1.00 0.74 H new ATOM 0 HG21 THR B 69 20.715 14.457 -1.895 1.00 0.70 H new ATOM 0 HG22 THR B 69 19.305 13.866 -0.984 1.00 0.70 H new ATOM 0 HG23 THR B 69 19.624 13.256 -2.625 1.00 0.70 H new ATOM 2533 N ASP B 70 16.466 16.453 -1.110 1.00 0.56 N ATOM 2534 CA ASP B 70 15.793 16.900 0.108 1.00 0.58 C ATOM 2535 C ASP B 70 14.289 16.666 0.034 1.00 0.55 C ATOM 2536 O ASP B 70 13.680 16.193 0.990 1.00 0.57 O ATOM 2537 CB ASP B 70 16.075 18.379 0.363 1.00 0.66 C ATOM 2538 CG ASP B 70 16.061 18.719 1.840 1.00 0.76 C ATOM 2539 OD1 ASP B 70 17.120 18.599 2.493 1.00 0.99 O ATOM 2540 OD2 ASP B 70 14.993 19.107 2.360 1.00 0.95 O ATOM 0 H ASP B 70 16.805 17.208 -1.707 1.00 0.56 H new ATOM 0 HA ASP B 70 16.189 16.311 0.935 1.00 0.58 H new ATOM 0 HB2 ASP B 70 17.046 18.640 -0.059 1.00 0.66 H new ATOM 0 HB3 ASP B 70 15.330 18.983 -0.154 1.00 0.66 H new ATOM 2545 N GLN B 71 13.696 16.976 -1.111 1.00 0.56 N ATOM 2546 CA GLN B 71 12.259 16.800 -1.300 1.00 0.58 C ATOM 2547 C GLN B 71 11.928 15.358 -1.673 1.00 0.54 C ATOM 2548 O GLN B 71 10.780 15.034 -1.963 1.00 0.66 O ATOM 2549 CB GLN B 71 11.739 17.754 -2.379 1.00 0.65 C ATOM 2550 CG GLN B 71 11.739 19.211 -1.953 1.00 0.83 C ATOM 2551 CD GLN B 71 11.355 20.146 -3.080 1.00 0.92 C ATOM 2552 OE1 GLN B 71 10.179 20.461 -3.272 1.00 1.13 O ATOM 2553 NE2 GLN B 71 12.343 20.596 -3.839 1.00 1.18 N ATOM 0 H GLN B 71 14.186 17.350 -1.924 1.00 0.56 H new ATOM 0 HA GLN B 71 11.766 17.032 -0.356 1.00 0.58 H new ATOM 0 HB2 GLN B 71 12.352 17.646 -3.274 1.00 0.65 H new ATOM 0 HB3 GLN B 71 10.724 17.464 -2.651 1.00 0.65 H new ATOM 0 HG2 GLN B 71 11.045 19.343 -1.123 1.00 0.83 H new ATOM 0 HG3 GLN B 71 12.730 19.478 -1.585 1.00 0.83 H new ATOM 0 HE21 GLN B 71 13.304 20.312 -3.647 1.00 1.18 H new ATOM 0 HE22 GLN B 71 12.143 21.227 -4.615 1.00 1.18 H new ATOM 2562 N LEU B 72 12.937 14.498 -1.662 1.00 0.51 N ATOM 2563 CA LEU B 72 12.754 13.093 -1.995 1.00 0.49 C ATOM 2564 C LEU B 72 12.351 12.311 -0.749 1.00 0.43 C ATOM 2565 O LEU B 72 13.202 11.939 0.058 1.00 0.51 O ATOM 2566 CB LEU B 72 14.049 12.523 -2.576 1.00 0.57 C ATOM 2567 CG LEU B 72 13.883 11.309 -3.488 1.00 0.72 C ATOM 2568 CD1 LEU B 72 13.504 11.757 -4.893 1.00 0.88 C ATOM 2569 CD2 LEU B 72 15.163 10.483 -3.513 1.00 1.00 C ATOM 0 H LEU B 72 13.896 14.751 -1.424 1.00 0.51 H new ATOM 0 HA LEU B 72 11.963 13.004 -2.739 1.00 0.49 H new ATOM 0 HB2 LEU B 72 14.552 13.311 -3.137 1.00 0.57 H new ATOM 0 HB3 LEU B 72 14.707 12.249 -1.751 1.00 0.57 H new ATOM 0 HG LEU B 72 13.081 10.683 -3.096 1.00 0.72 H new ATOM 0 HD11 LEU B 72 13.388 10.883 -5.535 1.00 0.88 H new ATOM 0 HD12 LEU B 72 12.565 12.309 -4.858 1.00 0.88 H new ATOM 0 HD13 LEU B 72 14.288 12.400 -5.294 1.00 0.88 H new ATOM 0 HD21 LEU B 72 15.028 9.622 -4.167 1.00 1.00 H new ATOM 0 HD22 LEU B 72 15.984 11.096 -3.885 1.00 1.00 H new ATOM 0 HD23 LEU B 72 15.394 10.140 -2.505 1.00 1.00 H new ATOM 2581 N VAL B 73 11.058 12.074 -0.586 1.00 0.37 N ATOM 2582 CA VAL B 73 10.567 11.354 0.579 1.00 0.35 C ATOM 2583 C VAL B 73 9.979 10.003 0.187 1.00 0.30 C ATOM 2584 O VAL B 73 9.184 9.909 -0.750 1.00 0.31 O ATOM 2585 CB VAL B 73 9.492 12.165 1.341 1.00 0.42 C ATOM 2586 CG1 VAL B 73 9.334 11.643 2.762 1.00 0.46 C ATOM 2587 CG2 VAL B 73 9.830 13.649 1.343 1.00 0.55 C ATOM 0 H VAL B 73 10.334 12.368 -1.241 1.00 0.37 H new ATOM 0 HA VAL B 73 11.426 11.200 1.232 1.00 0.35 H new ATOM 0 HB VAL B 73 8.541 12.039 0.824 1.00 0.42 H new ATOM 0 HG11 VAL B 73 8.574 12.226 3.281 1.00 0.46 H new ATOM 0 HG12 VAL B 73 9.032 10.596 2.734 1.00 0.46 H new ATOM 0 HG13 VAL B 73 10.283 11.732 3.290 1.00 0.46 H new ATOM 0 HG21 VAL B 73 9.059 14.197 1.885 1.00 0.55 H new ATOM 0 HG22 VAL B 73 10.794 13.802 1.829 1.00 0.55 H new ATOM 0 HG23 VAL B 73 9.880 14.012 0.316 1.00 0.55 H new ATOM 2597 N LEU B 74 10.376 8.961 0.907 1.00 0.30 N ATOM 2598 CA LEU B 74 9.879 7.618 0.649 1.00 0.29 C ATOM 2599 C LEU B 74 8.619 7.383 1.471 1.00 0.28 C ATOM 2600 O LEU B 74 8.493 7.900 2.577 1.00 0.36 O ATOM 2601 CB LEU B 74 10.936 6.559 0.993 1.00 0.33 C ATOM 2602 CG LEU B 74 12.079 6.395 -0.016 1.00 0.42 C ATOM 2603 CD1 LEU B 74 11.541 6.328 -1.438 1.00 0.57 C ATOM 2604 CD2 LEU B 74 13.094 7.523 0.126 1.00 0.64 C ATOM 0 H LEU B 74 11.043 9.022 1.676 1.00 0.30 H new ATOM 0 HA LEU B 74 9.650 7.529 -0.413 1.00 0.29 H new ATOM 0 HB2 LEU B 74 11.367 6.807 1.963 1.00 0.33 H new ATOM 0 HB3 LEU B 74 10.435 5.597 1.103 1.00 0.33 H new ATOM 0 HG LEU B 74 12.586 5.454 0.199 1.00 0.42 H new ATOM 0 HD11 LEU B 74 12.370 6.212 -2.136 1.00 0.57 H new ATOM 0 HD12 LEU B 74 10.866 5.477 -1.532 1.00 0.57 H new ATOM 0 HD13 LEU B 74 11.001 7.247 -1.666 1.00 0.57 H new ATOM 0 HD21 LEU B 74 13.895 7.385 -0.600 1.00 0.64 H new ATOM 0 HD22 LEU B 74 12.603 8.479 -0.053 1.00 0.64 H new ATOM 0 HD23 LEU B 74 13.511 7.513 1.133 1.00 0.64 H new ATOM 2616 N ILE B 75 7.687 6.617 0.935 1.00 0.29 N ATOM 2617 CA ILE B 75 6.442 6.343 1.638 1.00 0.33 C ATOM 2618 C ILE B 75 6.215 4.848 1.804 1.00 0.31 C ATOM 2619 O ILE B 75 6.250 4.096 0.832 1.00 0.36 O ATOM 2620 CB ILE B 75 5.234 6.948 0.894 1.00 0.43 C ATOM 2621 CG1 ILE B 75 5.356 8.472 0.804 1.00 0.47 C ATOM 2622 CG2 ILE B 75 3.935 6.551 1.577 1.00 0.54 C ATOM 2623 CD1 ILE B 75 5.524 9.159 2.142 1.00 0.74 C ATOM 0 H ILE B 75 7.765 6.174 0.020 1.00 0.29 H new ATOM 0 HA ILE B 75 6.531 6.805 2.621 1.00 0.33 H new ATOM 0 HB ILE B 75 5.224 6.551 -0.121 1.00 0.43 H new ATOM 0 HG12 ILE B 75 6.208 8.721 0.171 1.00 0.47 H new ATOM 0 HG13 ILE B 75 4.467 8.868 0.313 1.00 0.47 H new ATOM 0 HG21 ILE B 75 3.093 6.987 1.039 1.00 0.54 H new ATOM 0 HG22 ILE B 75 3.842 5.465 1.579 1.00 0.54 H new ATOM 0 HG23 ILE B 75 3.937 6.916 2.604 1.00 0.54 H new ATOM 0 HD11 ILE B 75 5.603 10.236 1.991 1.00 0.74 H new ATOM 0 HD12 ILE B 75 4.661 8.943 2.773 1.00 0.74 H new ATOM 0 HD13 ILE B 75 6.429 8.793 2.628 1.00 0.74 H new ATOM 2635 N PHE B 76 5.981 4.426 3.035 1.00 0.31 N ATOM 2636 CA PHE B 76 5.730 3.023 3.317 1.00 0.35 C ATOM 2637 C PHE B 76 4.337 2.841 3.911 1.00 0.31 C ATOM 2638 O PHE B 76 4.174 2.750 5.132 1.00 0.40 O ATOM 2639 CB PHE B 76 6.793 2.453 4.261 1.00 0.48 C ATOM 2640 CG PHE B 76 6.629 0.984 4.539 1.00 0.55 C ATOM 2641 CD1 PHE B 76 6.740 0.054 3.517 1.00 0.65 C ATOM 2642 CD2 PHE B 76 6.359 0.534 5.821 1.00 0.62 C ATOM 2643 CE1 PHE B 76 6.585 -1.293 3.770 1.00 0.77 C ATOM 2644 CE2 PHE B 76 6.204 -0.814 6.080 1.00 0.72 C ATOM 2645 CZ PHE B 76 6.317 -1.729 5.051 1.00 0.78 C ATOM 0 H PHE B 76 5.960 5.034 3.854 1.00 0.31 H new ATOM 0 HA PHE B 76 5.784 2.474 2.377 1.00 0.35 H new ATOM 0 HB2 PHE B 76 7.779 2.624 3.829 1.00 0.48 H new ATOM 0 HB3 PHE B 76 6.759 2.998 5.204 1.00 0.48 H new ATOM 0 HD1 PHE B 76 6.950 0.388 2.512 1.00 0.65 H new ATOM 0 HD2 PHE B 76 6.269 1.246 6.628 1.00 0.62 H new ATOM 0 HE1 PHE B 76 6.674 -2.007 2.965 1.00 0.77 H new ATOM 0 HE2 PHE B 76 5.995 -1.152 7.084 1.00 0.72 H new ATOM 0 HZ PHE B 76 6.196 -2.784 5.249 1.00 0.78 H new ATOM 2655 N ALA B 77 3.335 2.846 3.031 1.00 0.40 N ATOM 2656 CA ALA B 77 1.942 2.655 3.420 1.00 0.48 C ATOM 2657 C ALA B 77 1.483 3.703 4.422 1.00 0.41 C ATOM 2658 O ALA B 77 1.241 3.401 5.594 1.00 0.44 O ATOM 2659 CB ALA B 77 1.729 1.248 3.970 1.00 0.62 C ATOM 0 H ALA B 77 3.469 2.983 2.029 1.00 0.40 H new ATOM 0 HA ALA B 77 1.332 2.777 2.525 1.00 0.48 H new ATOM 0 HB1 ALA B 77 0.684 1.123 4.255 1.00 0.62 H new ATOM 0 HB2 ALA B 77 1.986 0.515 3.205 1.00 0.62 H new ATOM 0 HB3 ALA B 77 2.364 1.099 4.843 1.00 0.62 H new ATOM 2665 N GLY B 78 1.368 4.937 3.958 1.00 0.46 N ATOM 2666 CA GLY B 78 0.927 6.013 4.819 1.00 0.54 C ATOM 2667 C GLY B 78 1.952 6.413 5.863 1.00 0.50 C ATOM 2668 O GLY B 78 1.588 6.851 6.953 1.00 0.63 O ATOM 0 H GLY B 78 1.573 5.213 2.998 1.00 0.46 H new ATOM 0 HA2 GLY B 78 0.686 6.882 4.207 1.00 0.54 H new ATOM 0 HA3 GLY B 78 0.007 5.712 5.321 1.00 0.54 H new ATOM 2672 N LYS B 79 3.229 6.277 5.533 1.00 0.42 N ATOM 2673 CA LYS B 79 4.300 6.623 6.458 1.00 0.43 C ATOM 2674 C LYS B 79 5.427 7.340 5.729 1.00 0.39 C ATOM 2675 O LYS B 79 5.900 6.876 4.690 1.00 0.43 O ATOM 2676 CB LYS B 79 4.837 5.370 7.152 1.00 0.50 C ATOM 2677 CG LYS B 79 4.455 5.275 8.620 1.00 0.72 C ATOM 2678 CD LYS B 79 3.238 6.130 8.933 1.00 1.16 C ATOM 2679 CE LYS B 79 2.835 6.024 10.394 1.00 1.57 C ATOM 2680 NZ LYS B 79 1.792 7.018 10.751 1.00 2.02 N ATOM 0 H LYS B 79 3.549 5.929 4.629 1.00 0.42 H new ATOM 0 HA LYS B 79 3.892 7.293 7.214 1.00 0.43 H new ATOM 0 HB2 LYS B 79 4.464 4.488 6.631 1.00 0.50 H new ATOM 0 HB3 LYS B 79 5.924 5.355 7.066 1.00 0.50 H new ATOM 0 HG2 LYS B 79 4.248 4.236 8.877 1.00 0.72 H new ATOM 0 HG3 LYS B 79 5.295 5.595 9.237 1.00 0.72 H new ATOM 0 HD2 LYS B 79 3.453 7.171 8.690 1.00 1.16 H new ATOM 0 HD3 LYS B 79 2.404 5.821 8.303 1.00 1.16 H new ATOM 0 HE2 LYS B 79 2.464 5.019 10.597 1.00 1.57 H new ATOM 0 HE3 LYS B 79 3.711 6.174 11.025 1.00 1.57 H new ATOM 0 HZ1 LYS B 79 1.249 6.673 11.568 1.00 2.02 H new ATOM 0 HZ2 LYS B 79 2.243 7.923 10.993 1.00 2.02 H new ATOM 0 HZ3 LYS B 79 1.152 7.155 9.943 1.00 2.02 H new ATOM 2694 N ILE B 80 5.842 8.471 6.281 1.00 0.37 N ATOM 2695 CA ILE B 80 6.907 9.269 5.696 1.00 0.39 C ATOM 2696 C ILE B 80 8.276 8.754 6.116 1.00 0.39 C ATOM 2697 O ILE B 80 8.722 8.984 7.237 1.00 0.61 O ATOM 2698 CB ILE B 80 6.791 10.773 6.069 1.00 0.52 C ATOM 2699 CG1 ILE B 80 5.904 10.993 7.306 1.00 0.67 C ATOM 2700 CG2 ILE B 80 6.248 11.569 4.894 1.00 0.97 C ATOM 2701 CD1 ILE B 80 6.596 10.721 8.625 1.00 1.18 C ATOM 0 H ILE B 80 5.453 8.858 7.141 1.00 0.37 H new ATOM 0 HA ILE B 80 6.798 9.174 4.616 1.00 0.39 H new ATOM 0 HB ILE B 80 7.794 11.124 6.313 1.00 0.52 H new ATOM 0 HG12 ILE B 80 5.545 12.022 7.303 1.00 0.67 H new ATOM 0 HG13 ILE B 80 5.028 10.349 7.229 1.00 0.67 H new ATOM 0 HG21 ILE B 80 6.172 12.621 5.171 1.00 0.97 H new ATOM 0 HG22 ILE B 80 6.920 11.465 4.042 1.00 0.97 H new ATOM 0 HG23 ILE B 80 5.261 11.193 4.625 1.00 0.97 H new ATOM 0 HD11 ILE B 80 5.900 10.900 9.445 1.00 1.18 H new ATOM 0 HD12 ILE B 80 6.931 9.684 8.653 1.00 1.18 H new ATOM 0 HD13 ILE B 80 7.456 11.383 8.728 1.00 1.18 H new ATOM 2713 N LEU B 81 8.935 8.050 5.213 1.00 0.30 N ATOM 2714 CA LEU B 81 10.254 7.506 5.484 1.00 0.34 C ATOM 2715 C LEU B 81 11.312 8.551 5.172 1.00 0.36 C ATOM 2716 O LEU B 81 11.448 8.997 4.028 1.00 0.46 O ATOM 2717 CB LEU B 81 10.499 6.240 4.655 1.00 0.44 C ATOM 2718 CG LEU B 81 10.101 4.923 5.330 1.00 0.57 C ATOM 2719 CD1 LEU B 81 8.646 4.953 5.772 1.00 1.01 C ATOM 2720 CD2 LEU B 81 10.343 3.754 4.389 1.00 0.78 C ATOM 0 H LEU B 81 8.576 7.841 4.281 1.00 0.30 H new ATOM 0 HA LEU B 81 10.313 7.239 6.539 1.00 0.34 H new ATOM 0 HB2 LEU B 81 9.950 6.328 3.718 1.00 0.44 H new ATOM 0 HB3 LEU B 81 11.558 6.192 4.401 1.00 0.44 H new ATOM 0 HG LEU B 81 10.721 4.796 6.217 1.00 0.57 H new ATOM 0 HD11 LEU B 81 8.391 4.006 6.248 1.00 1.01 H new ATOM 0 HD12 LEU B 81 8.498 5.767 6.482 1.00 1.01 H new ATOM 0 HD13 LEU B 81 8.005 5.107 4.904 1.00 1.01 H new ATOM 0 HD21 LEU B 81 10.056 2.825 4.882 1.00 0.78 H new ATOM 0 HD22 LEU B 81 9.747 3.885 3.486 1.00 0.78 H new ATOM 0 HD23 LEU B 81 11.400 3.713 4.124 1.00 0.78 H new ATOM 2732 N LYS B 82 12.050 8.952 6.191 1.00 0.39 N ATOM 2733 CA LYS B 82 13.077 9.961 6.031 1.00 0.47 C ATOM 2734 C LYS B 82 14.317 9.593 6.833 1.00 0.49 C ATOM 2735 O LYS B 82 14.494 8.447 7.236 1.00 0.63 O ATOM 2736 CB LYS B 82 12.540 11.324 6.482 1.00 0.54 C ATOM 2737 CG LYS B 82 12.832 12.455 5.511 1.00 0.94 C ATOM 2738 CD LYS B 82 12.230 13.767 5.986 1.00 1.01 C ATOM 2739 CE LYS B 82 10.725 13.813 5.753 1.00 1.22 C ATOM 2740 NZ LYS B 82 10.103 15.008 6.376 1.00 1.35 N ATOM 0 H LYS B 82 11.956 8.592 7.141 1.00 0.39 H new ATOM 0 HA LYS B 82 13.353 10.017 4.978 1.00 0.47 H new ATOM 0 HB2 LYS B 82 11.462 11.250 6.623 1.00 0.54 H new ATOM 0 HB3 LYS B 82 12.972 11.571 7.452 1.00 0.54 H new ATOM 0 HG2 LYS B 82 13.910 12.569 5.397 1.00 0.94 H new ATOM 0 HG3 LYS B 82 12.432 12.205 4.528 1.00 0.94 H new ATOM 0 HD2 LYS B 82 12.438 13.900 7.048 1.00 1.01 H new ATOM 0 HD3 LYS B 82 12.705 14.596 5.462 1.00 1.01 H new ATOM 0 HE2 LYS B 82 10.524 13.816 4.682 1.00 1.22 H new ATOM 0 HE3 LYS B 82 10.267 12.912 6.161 1.00 1.22 H new ATOM 0 HZ1 LYS B 82 9.079 15.001 6.194 1.00 1.35 H new ATOM 0 HZ2 LYS B 82 10.272 14.993 7.402 1.00 1.35 H new ATOM 0 HZ3 LYS B 82 10.521 15.869 5.969 1.00 1.35 H new ATOM 2754 N ASP B 83 15.169 10.579 7.068 1.00 0.60 N ATOM 2755 CA ASP B 83 16.397 10.378 7.823 1.00 0.68 C ATOM 2756 C ASP B 83 16.102 10.330 9.319 1.00 0.68 C ATOM 2757 O ASP B 83 16.959 9.956 10.124 1.00 0.89 O ATOM 2758 CB ASP B 83 17.386 11.506 7.523 1.00 0.88 C ATOM 2759 CG ASP B 83 16.865 12.863 7.952 1.00 1.20 C ATOM 2760 OD1 ASP B 83 15.874 13.340 7.356 1.00 1.56 O ATOM 2761 OD2 ASP B 83 17.440 13.459 8.887 1.00 1.52 O ATOM 0 H ASP B 83 15.030 11.536 6.743 1.00 0.60 H new ATOM 0 HA ASP B 83 16.837 9.427 7.523 1.00 0.68 H new ATOM 0 HB2 ASP B 83 18.328 11.304 8.033 1.00 0.88 H new ATOM 0 HB3 ASP B 83 17.599 11.523 6.454 1.00 0.88 H new ATOM 2766 N GLN B 84 14.886 10.718 9.684 1.00 0.60 N ATOM 2767 CA GLN B 84 14.463 10.719 11.075 1.00 0.67 C ATOM 2768 C GLN B 84 14.278 9.290 11.570 1.00 0.61 C ATOM 2769 O GLN B 84 14.760 8.926 12.645 1.00 0.81 O ATOM 2770 CB GLN B 84 13.164 11.506 11.236 1.00 0.77 C ATOM 2771 CG GLN B 84 13.309 12.978 10.884 1.00 0.93 C ATOM 2772 CD GLN B 84 12.043 13.769 11.122 1.00 1.13 C ATOM 2773 OE1 GLN B 84 11.229 13.425 11.981 1.00 1.32 O ATOM 2774 NE2 GLN B 84 11.872 14.842 10.372 1.00 1.28 N ATOM 0 H GLN B 84 14.172 11.038 9.029 1.00 0.60 H new ATOM 0 HA GLN B 84 15.237 11.200 11.673 1.00 0.67 H new ATOM 0 HB2 GLN B 84 12.396 11.061 10.603 1.00 0.77 H new ATOM 0 HB3 GLN B 84 12.818 11.418 12.266 1.00 0.77 H new ATOM 0 HG2 GLN B 84 14.117 13.409 11.475 1.00 0.93 H new ATOM 0 HG3 GLN B 84 13.596 13.069 9.837 1.00 0.93 H new ATOM 0 HE21 GLN B 84 12.571 15.092 9.672 1.00 1.28 H new ATOM 0 HE22 GLN B 84 11.041 15.421 10.493 1.00 1.28 H new ATOM 2783 N ASP B 85 13.586 8.485 10.776 1.00 0.52 N ATOM 2784 CA ASP B 85 13.354 7.088 11.112 1.00 0.51 C ATOM 2785 C ASP B 85 14.377 6.219 10.386 1.00 0.44 C ATOM 2786 O ASP B 85 15.404 6.724 9.924 1.00 0.48 O ATOM 2787 CB ASP B 85 11.917 6.664 10.765 1.00 0.61 C ATOM 2788 CG ASP B 85 11.588 6.800 9.290 1.00 0.68 C ATOM 2789 OD1 ASP B 85 11.871 7.867 8.705 1.00 0.76 O ATOM 2790 OD2 ASP B 85 11.019 5.843 8.719 1.00 0.86 O ATOM 0 H ASP B 85 13.174 8.778 9.890 1.00 0.52 H new ATOM 0 HA ASP B 85 13.475 6.956 12.187 1.00 0.51 H new ATOM 0 HB2 ASP B 85 11.769 5.628 11.069 1.00 0.61 H new ATOM 0 HB3 ASP B 85 11.218 7.269 11.343 1.00 0.61 H new ATOM 2795 N THR B 86 14.117 4.924 10.285 1.00 0.49 N ATOM 2796 CA THR B 86 15.054 4.027 9.627 1.00 0.47 C ATOM 2797 C THR B 86 14.348 3.029 8.709 1.00 0.42 C ATOM 2798 O THR B 86 13.403 2.340 9.115 1.00 0.41 O ATOM 2799 CB THR B 86 15.902 3.257 10.658 1.00 0.54 C ATOM 2800 OG1 THR B 86 15.882 3.938 11.923 1.00 0.67 O ATOM 2801 CG2 THR B 86 17.338 3.117 10.180 1.00 0.67 C ATOM 0 H THR B 86 13.275 4.475 10.646 1.00 0.49 H new ATOM 0 HA THR B 86 15.704 4.654 9.017 1.00 0.47 H new ATOM 0 HB THR B 86 15.472 2.262 10.774 1.00 0.54 H new ATOM 0 HG1 THR B 86 16.422 3.440 12.571 1.00 0.67 H new ATOM 0 HG21 THR B 86 17.917 2.570 10.924 1.00 0.67 H new ATOM 0 HG22 THR B 86 17.356 2.574 9.235 1.00 0.67 H new ATOM 0 HG23 THR B 86 17.772 4.107 10.038 1.00 0.67 H new ATOM 2809 N LEU B 87 14.828 2.962 7.468 1.00 0.43 N ATOM 2810 CA LEU B 87 14.288 2.058 6.458 1.00 0.42 C ATOM 2811 C LEU B 87 14.432 0.608 6.906 1.00 0.42 C ATOM 2812 O LEU B 87 13.522 -0.202 6.740 1.00 0.44 O ATOM 2813 CB LEU B 87 15.023 2.264 5.126 1.00 0.51 C ATOM 2814 CG LEU B 87 14.548 1.387 3.967 1.00 0.52 C ATOM 2815 CD1 LEU B 87 13.297 1.969 3.333 1.00 0.61 C ATOM 2816 CD2 LEU B 87 15.653 1.236 2.933 1.00 0.66 C ATOM 0 H LEU B 87 15.604 3.535 7.136 1.00 0.43 H new ATOM 0 HA LEU B 87 13.229 2.280 6.325 1.00 0.42 H new ATOM 0 HB2 LEU B 87 14.921 3.309 4.833 1.00 0.51 H new ATOM 0 HB3 LEU B 87 16.085 2.080 5.286 1.00 0.51 H new ATOM 0 HG LEU B 87 14.302 0.400 4.358 1.00 0.52 H new ATOM 0 HD11 LEU B 87 12.975 1.330 2.510 1.00 0.61 H new ATOM 0 HD12 LEU B 87 12.504 2.027 4.079 1.00 0.61 H new ATOM 0 HD13 LEU B 87 13.512 2.968 2.954 1.00 0.61 H new ATOM 0 HD21 LEU B 87 15.301 0.609 2.113 1.00 0.66 H new ATOM 0 HD22 LEU B 87 15.927 2.218 2.547 1.00 0.66 H new ATOM 0 HD23 LEU B 87 16.524 0.772 3.396 1.00 0.66 H new ATOM 2828 N ILE B 88 15.572 0.300 7.508 1.00 0.47 N ATOM 2829 CA ILE B 88 15.861 -1.048 7.983 1.00 0.53 C ATOM 2830 C ILE B 88 15.315 -1.276 9.391 1.00 0.54 C ATOM 2831 O ILE B 88 15.844 -2.085 10.154 1.00 0.66 O ATOM 2832 CB ILE B 88 17.381 -1.318 7.979 1.00 0.62 C ATOM 2833 CG1 ILE B 88 18.130 -0.153 8.632 1.00 0.65 C ATOM 2834 CG2 ILE B 88 17.868 -1.543 6.555 1.00 0.67 C ATOM 2835 CD1 ILE B 88 19.612 -0.401 8.815 1.00 0.91 C ATOM 0 H ILE B 88 16.319 0.972 7.681 1.00 0.47 H new ATOM 0 HA ILE B 88 15.367 -1.739 7.300 1.00 0.53 H new ATOM 0 HB ILE B 88 17.582 -2.219 8.559 1.00 0.62 H new ATOM 0 HG12 ILE B 88 17.994 0.741 8.023 1.00 0.65 H new ATOM 0 HG13 ILE B 88 17.683 0.053 9.605 1.00 0.65 H new ATOM 0 HG21 ILE B 88 18.941 -1.733 6.563 1.00 0.67 H new ATOM 0 HG22 ILE B 88 17.351 -2.401 6.125 1.00 0.67 H new ATOM 0 HG23 ILE B 88 17.661 -0.657 5.955 1.00 0.67 H new ATOM 0 HD11 ILE B 88 20.071 0.469 9.283 1.00 0.91 H new ATOM 0 HD12 ILE B 88 19.759 -1.275 9.450 1.00 0.91 H new ATOM 0 HD13 ILE B 88 20.074 -0.577 7.844 1.00 0.91 H new ATOM 2847 N GLN B 89 14.247 -0.568 9.728 1.00 0.48 N ATOM 2848 CA GLN B 89 13.638 -0.696 11.041 1.00 0.53 C ATOM 2849 C GLN B 89 12.121 -0.837 10.933 1.00 0.52 C ATOM 2850 O GLN B 89 11.543 -1.816 11.408 1.00 0.71 O ATOM 2851 CB GLN B 89 13.987 0.514 11.909 1.00 0.57 C ATOM 2852 CG GLN B 89 13.580 0.354 13.364 1.00 0.69 C ATOM 2853 CD GLN B 89 14.505 -0.571 14.134 1.00 0.82 C ATOM 2854 OE1 GLN B 89 15.477 -0.128 14.742 1.00 0.96 O ATOM 2855 NE2 GLN B 89 14.209 -1.862 14.111 1.00 0.89 N ATOM 0 H GLN B 89 13.786 0.100 9.110 1.00 0.48 H new ATOM 0 HA GLN B 89 14.034 -1.598 11.507 1.00 0.53 H new ATOM 0 HB2 GLN B 89 15.061 0.690 11.858 1.00 0.57 H new ATOM 0 HB3 GLN B 89 13.499 1.398 11.499 1.00 0.57 H new ATOM 0 HG2 GLN B 89 13.570 1.333 13.844 1.00 0.69 H new ATOM 0 HG3 GLN B 89 12.563 -0.035 13.412 1.00 0.69 H new ATOM 0 HE21 GLN B 89 13.393 -2.189 13.594 1.00 0.89 H new ATOM 0 HE22 GLN B 89 14.797 -2.529 14.610 1.00 0.89 H new ATOM 2864 N HIS B 90 11.478 0.140 10.305 1.00 0.49 N ATOM 2865 CA HIS B 90 10.027 0.114 10.160 1.00 0.51 C ATOM 2866 C HIS B 90 9.612 0.082 8.688 1.00 0.50 C ATOM 2867 O HIS B 90 8.441 -0.128 8.374 1.00 0.75 O ATOM 2868 CB HIS B 90 9.409 1.333 10.858 1.00 0.59 C ATOM 2869 CG HIS B 90 7.911 1.298 10.930 1.00 0.72 C ATOM 2870 ND1 HIS B 90 7.111 2.343 10.520 1.00 0.96 N ATOM 2871 CD2 HIS B 90 7.068 0.330 11.358 1.00 0.92 C ATOM 2872 CE1 HIS B 90 5.842 2.021 10.697 1.00 1.14 C ATOM 2873 NE2 HIS B 90 5.791 0.805 11.202 1.00 1.10 N ATOM 0 H HIS B 90 11.933 0.954 9.891 1.00 0.49 H new ATOM 0 HA HIS B 90 9.657 -0.797 10.630 1.00 0.51 H new ATOM 0 HB2 HIS B 90 9.810 1.402 11.869 1.00 0.59 H new ATOM 0 HB3 HIS B 90 9.717 2.236 10.331 1.00 0.59 H new ATOM 0 HD2 HIS B 90 7.349 -0.637 11.750 1.00 0.92 H new ATOM 0 HE1 HIS B 90 4.992 2.647 10.467 1.00 1.14 H new ATOM 0 HE2 HIS B 90 4.938 0.298 11.439 1.00 1.10 H new ATOM 2882 N GLY B 91 10.570 0.266 7.796 1.00 0.45 N ATOM 2883 CA GLY B 91 10.261 0.272 6.377 1.00 0.46 C ATOM 2884 C GLY B 91 10.380 -1.099 5.742 1.00 0.45 C ATOM 2885 O GLY B 91 9.579 -1.998 6.010 1.00 0.64 O ATOM 0 H GLY B 91 11.554 0.411 8.024 1.00 0.45 H new ATOM 0 HA2 GLY B 91 9.248 0.647 6.232 1.00 0.46 H new ATOM 0 HA3 GLY B 91 10.932 0.963 5.867 1.00 0.46 H new ATOM 2889 N ILE B 92 11.396 -1.260 4.910 1.00 0.38 N ATOM 2890 CA ILE B 92 11.626 -2.513 4.212 1.00 0.39 C ATOM 2891 C ILE B 92 12.199 -3.562 5.154 1.00 0.41 C ATOM 2892 O ILE B 92 13.391 -3.558 5.456 1.00 0.46 O ATOM 2893 CB ILE B 92 12.586 -2.333 3.019 1.00 0.41 C ATOM 2894 CG1 ILE B 92 12.111 -1.188 2.120 1.00 0.40 C ATOM 2895 CG2 ILE B 92 12.704 -3.629 2.223 1.00 0.47 C ATOM 2896 CD1 ILE B 92 10.778 -1.445 1.449 1.00 0.43 C ATOM 0 H ILE B 92 12.079 -0.532 4.701 1.00 0.38 H new ATOM 0 HA ILE B 92 10.658 -2.847 3.837 1.00 0.39 H new ATOM 0 HB ILE B 92 13.573 -2.081 3.406 1.00 0.41 H new ATOM 0 HG12 ILE B 92 12.037 -0.278 2.716 1.00 0.40 H new ATOM 0 HG13 ILE B 92 12.863 -1.006 1.353 1.00 0.40 H new ATOM 0 HG21 ILE B 92 13.386 -3.481 1.386 1.00 0.47 H new ATOM 0 HG22 ILE B 92 13.088 -4.419 2.869 1.00 0.47 H new ATOM 0 HG23 ILE B 92 11.722 -3.915 1.845 1.00 0.47 H new ATOM 0 HD11 ILE B 92 10.511 -0.588 0.830 1.00 0.43 H new ATOM 0 HD12 ILE B 92 10.851 -2.335 0.824 1.00 0.43 H new ATOM 0 HD13 ILE B 92 10.011 -1.597 2.209 1.00 0.43 H new ATOM 2908 N HIS B 93 11.334 -4.442 5.631 1.00 0.46 N ATOM 2909 CA HIS B 93 11.749 -5.504 6.533 1.00 0.52 C ATOM 2910 C HIS B 93 12.405 -6.628 5.745 1.00 0.54 C ATOM 2911 O HIS B 93 13.587 -6.918 5.923 1.00 0.66 O ATOM 2912 CB HIS B 93 10.551 -6.027 7.327 1.00 0.58 C ATOM 2913 CG HIS B 93 9.998 -5.032 8.301 1.00 0.65 C ATOM 2914 ND1 HIS B 93 8.754 -4.453 8.162 1.00 1.25 N ATOM 2915 CD2 HIS B 93 10.531 -4.509 9.429 1.00 1.25 C ATOM 2916 CE1 HIS B 93 8.547 -3.618 9.162 1.00 1.14 C ATOM 2917 NE2 HIS B 93 9.609 -3.634 9.945 1.00 1.10 N ATOM 0 H HIS B 93 10.339 -4.442 5.408 1.00 0.46 H new ATOM 0 HA HIS B 93 12.476 -5.104 7.240 1.00 0.52 H new ATOM 0 HB2 HIS B 93 9.764 -6.319 6.632 1.00 0.58 H new ATOM 0 HB3 HIS B 93 10.848 -6.926 7.867 1.00 0.58 H new ATOM 0 HD2 HIS B 93 11.501 -4.738 9.845 1.00 1.25 H new ATOM 0 HE1 HIS B 93 7.659 -3.022 9.314 1.00 1.14 H new ATOM 0 HE2 HIS B 93 9.726 -3.085 10.796 1.00 1.10 H new ATOM 2926 N ASP B 94 11.637 -7.249 4.858 1.00 0.58 N ATOM 2927 CA ASP B 94 12.146 -8.333 4.027 1.00 0.63 C ATOM 2928 C ASP B 94 11.535 -8.255 2.629 1.00 0.78 C ATOM 2929 O ASP B 94 10.704 -9.079 2.249 1.00 1.65 O ATOM 2930 CB ASP B 94 11.849 -9.695 4.667 1.00 0.67 C ATOM 2931 CG ASP B 94 12.430 -10.856 3.879 1.00 0.79 C ATOM 2932 OD1 ASP B 94 13.653 -10.849 3.606 1.00 0.92 O ATOM 2933 OD2 ASP B 94 11.672 -11.789 3.539 1.00 1.08 O ATOM 0 H ASP B 94 10.657 -7.020 4.695 1.00 0.58 H new ATOM 0 HA ASP B 94 13.228 -8.226 3.944 1.00 0.63 H new ATOM 0 HB2 ASP B 94 12.253 -9.711 5.679 1.00 0.67 H new ATOM 0 HB3 ASP B 94 10.770 -9.824 4.752 1.00 0.67 H new ATOM 2938 N GLY B 95 11.933 -7.233 1.882 1.00 0.57 N ATOM 2939 CA GLY B 95 11.425 -7.048 0.535 1.00 0.52 C ATOM 2940 C GLY B 95 10.026 -6.470 0.515 1.00 0.46 C ATOM 2941 O GLY B 95 9.053 -7.179 0.766 1.00 0.53 O ATOM 0 H GLY B 95 12.602 -6.525 2.186 1.00 0.57 H new ATOM 0 HA2 GLY B 95 12.095 -6.387 -0.015 1.00 0.52 H new ATOM 0 HA3 GLY B 95 11.426 -8.006 0.016 1.00 0.52 H new ATOM 2945 N LEU B 96 9.915 -5.182 0.211 1.00 0.41 N ATOM 2946 CA LEU B 96 8.615 -4.518 0.169 1.00 0.40 C ATOM 2947 C LEU B 96 8.602 -3.406 -0.872 1.00 0.37 C ATOM 2948 O LEU B 96 9.647 -3.046 -1.418 1.00 0.41 O ATOM 2949 CB LEU B 96 8.256 -3.950 1.546 1.00 0.44 C ATOM 2950 CG LEU B 96 7.738 -4.974 2.557 1.00 0.53 C ATOM 2951 CD1 LEU B 96 8.234 -4.645 3.953 1.00 0.58 C ATOM 2952 CD2 LEU B 96 6.219 -5.031 2.533 1.00 0.70 C ATOM 0 H LEU B 96 10.706 -4.577 -0.010 1.00 0.41 H new ATOM 0 HA LEU B 96 7.870 -5.262 -0.112 1.00 0.40 H new ATOM 0 HB2 LEU B 96 9.139 -3.466 1.963 1.00 0.44 H new ATOM 0 HB3 LEU B 96 7.499 -3.176 1.416 1.00 0.44 H new ATOM 0 HG LEU B 96 8.123 -5.954 2.276 1.00 0.53 H new ATOM 0 HD11 LEU B 96 7.855 -5.385 4.658 1.00 0.58 H new ATOM 0 HD12 LEU B 96 9.324 -4.658 3.964 1.00 0.58 H new ATOM 0 HD13 LEU B 96 7.880 -3.655 4.241 1.00 0.58 H new ATOM 0 HD21 LEU B 96 5.871 -5.765 3.259 1.00 0.70 H new ATOM 0 HD22 LEU B 96 5.814 -4.051 2.785 1.00 0.70 H new ATOM 0 HD23 LEU B 96 5.881 -5.318 1.537 1.00 0.70 H new ATOM 2964 N THR B 97 7.417 -2.869 -1.136 1.00 0.39 N ATOM 2965 CA THR B 97 7.253 -1.804 -2.113 1.00 0.39 C ATOM 2966 C THR B 97 6.941 -0.470 -1.441 1.00 0.37 C ATOM 2967 O THR B 97 5.963 -0.357 -0.702 1.00 0.46 O ATOM 2968 CB THR B 97 6.109 -2.136 -3.089 1.00 0.46 C ATOM 2969 OG1 THR B 97 4.960 -2.566 -2.345 1.00 0.83 O ATOM 2970 CG2 THR B 97 6.527 -3.217 -4.075 1.00 0.78 C ATOM 0 H THR B 97 6.550 -3.158 -0.682 1.00 0.39 H new ATOM 0 HA THR B 97 8.196 -1.721 -2.653 1.00 0.39 H new ATOM 0 HB THR B 97 5.864 -1.239 -3.658 1.00 0.46 H new ATOM 0 HG1 THR B 97 4.873 -2.023 -1.534 1.00 0.83 H new ATOM 0 HG21 THR B 97 5.700 -3.431 -4.752 1.00 0.78 H new ATOM 0 HG22 THR B 97 7.387 -2.872 -4.650 1.00 0.78 H new ATOM 0 HG23 THR B 97 6.794 -4.123 -3.530 1.00 0.78 H new ATOM 2978 N VAL B 98 7.765 0.535 -1.704 1.00 0.33 N ATOM 2979 CA VAL B 98 7.565 1.861 -1.135 1.00 0.31 C ATOM 2980 C VAL B 98 7.257 2.871 -2.233 1.00 0.30 C ATOM 2981 O VAL B 98 7.524 2.622 -3.409 1.00 0.36 O ATOM 2982 CB VAL B 98 8.798 2.342 -0.343 1.00 0.31 C ATOM 2983 CG1 VAL B 98 8.929 1.579 0.966 1.00 0.37 C ATOM 2984 CG2 VAL B 98 10.067 2.208 -1.172 1.00 0.34 C ATOM 0 H VAL B 98 8.582 0.457 -2.310 1.00 0.33 H new ATOM 0 HA VAL B 98 6.722 1.787 -0.448 1.00 0.31 H new ATOM 0 HB VAL B 98 8.657 3.398 -0.112 1.00 0.31 H new ATOM 0 HG11 VAL B 98 9.805 1.934 1.508 1.00 0.37 H new ATOM 0 HG12 VAL B 98 8.037 1.740 1.572 1.00 0.37 H new ATOM 0 HG13 VAL B 98 9.039 0.515 0.757 1.00 0.37 H new ATOM 0 HG21 VAL B 98 10.921 2.554 -0.589 1.00 0.34 H new ATOM 0 HG22 VAL B 98 10.214 1.163 -1.446 1.00 0.34 H new ATOM 0 HG23 VAL B 98 9.976 2.810 -2.076 1.00 0.34 H new ATOM 2994 N HIS B 99 6.684 4.000 -1.850 1.00 0.29 N ATOM 2995 CA HIS B 99 6.351 5.050 -2.802 1.00 0.31 C ATOM 2996 C HIS B 99 7.334 6.200 -2.667 1.00 0.30 C ATOM 2997 O HIS B 99 8.190 6.187 -1.783 1.00 0.47 O ATOM 2998 CB HIS B 99 4.920 5.547 -2.585 1.00 0.38 C ATOM 2999 CG HIS B 99 3.893 4.761 -3.334 1.00 0.47 C ATOM 3000 ND1 HIS B 99 2.912 4.019 -2.711 1.00 0.68 N ATOM 3001 CD2 HIS B 99 3.694 4.603 -4.661 1.00 0.71 C ATOM 3002 CE1 HIS B 99 2.162 3.433 -3.624 1.00 0.81 C ATOM 3003 NE2 HIS B 99 2.612 3.776 -4.814 1.00 0.81 N ATOM 0 H HIS B 99 6.439 4.214 -0.883 1.00 0.29 H new ATOM 0 HA HIS B 99 6.418 4.639 -3.809 1.00 0.31 H new ATOM 0 HB2 HIS B 99 4.689 5.509 -1.520 1.00 0.38 H new ATOM 0 HB3 HIS B 99 4.858 6.592 -2.888 1.00 0.38 H new ATOM 0 HD2 HIS B 99 4.279 5.046 -5.454 1.00 0.71 H new ATOM 0 HE1 HIS B 99 1.322 2.783 -3.429 1.00 0.81 H new ATOM 0 HE2 HIS B 99 2.218 3.475 -5.705 1.00 0.81 H new ATOM 3012 N LEU B 100 7.209 7.189 -3.534 1.00 0.31 N ATOM 3013 CA LEU B 100 8.098 8.337 -3.510 1.00 0.32 C ATOM 3014 C LEU B 100 7.316 9.619 -3.773 1.00 0.32 C ATOM 3015 O LEU B 100 6.737 9.794 -4.846 1.00 0.40 O ATOM 3016 CB LEU B 100 9.202 8.155 -4.555 1.00 0.37 C ATOM 3017 CG LEU B 100 10.360 9.150 -4.469 1.00 0.50 C ATOM 3018 CD1 LEU B 100 11.689 8.434 -4.670 1.00 0.85 C ATOM 3019 CD2 LEU B 100 10.190 10.256 -5.502 1.00 0.91 C ATOM 0 H LEU B 100 6.499 7.220 -4.265 1.00 0.31 H new ATOM 0 HA LEU B 100 8.555 8.415 -2.524 1.00 0.32 H new ATOM 0 HB2 LEU B 100 9.605 7.146 -4.461 1.00 0.37 H new ATOM 0 HB3 LEU B 100 8.755 8.229 -5.547 1.00 0.37 H new ATOM 0 HG LEU B 100 10.356 9.602 -3.477 1.00 0.50 H new ATOM 0 HD11 LEU B 100 12.504 9.155 -4.606 1.00 0.85 H new ATOM 0 HD12 LEU B 100 11.814 7.675 -3.897 1.00 0.85 H new ATOM 0 HD13 LEU B 100 11.701 7.958 -5.651 1.00 0.85 H new ATOM 0 HD21 LEU B 100 11.023 10.955 -5.427 1.00 0.91 H new ATOM 0 HD22 LEU B 100 10.171 9.821 -6.501 1.00 0.91 H new ATOM 0 HD23 LEU B 100 9.255 10.785 -5.318 1.00 0.91 H new ATOM 3031 N VAL B 101 7.296 10.506 -2.791 1.00 0.30 N ATOM 3032 CA VAL B 101 6.577 11.766 -2.921 1.00 0.32 C ATOM 3033 C VAL B 101 7.528 12.941 -2.760 1.00 0.33 C ATOM 3034 O VAL B 101 8.696 12.760 -2.415 1.00 0.38 O ATOM 3035 CB VAL B 101 5.428 11.888 -1.895 1.00 0.39 C ATOM 3036 CG1 VAL B 101 4.373 10.820 -2.137 1.00 0.50 C ATOM 3037 CG2 VAL B 101 5.963 11.806 -0.474 1.00 0.52 C ATOM 0 H VAL B 101 7.768 10.378 -1.896 1.00 0.30 H new ATOM 0 HA VAL B 101 6.140 11.781 -3.920 1.00 0.32 H new ATOM 0 HB VAL B 101 4.959 12.863 -2.025 1.00 0.39 H new ATOM 0 HG11 VAL B 101 3.574 10.925 -1.403 1.00 0.50 H new ATOM 0 HG12 VAL B 101 3.962 10.935 -3.140 1.00 0.50 H new ATOM 0 HG13 VAL B 101 4.826 9.833 -2.042 1.00 0.50 H new ATOM 0 HG21 VAL B 101 5.137 11.894 0.231 1.00 0.52 H new ATOM 0 HG22 VAL B 101 6.464 10.849 -0.328 1.00 0.52 H new ATOM 0 HG23 VAL B 101 6.672 12.616 -0.305 1.00 0.52 H new ATOM 3047 N ILE B 102 7.021 14.140 -3.013 1.00 0.36 N ATOM 3048 CA ILE B 102 7.820 15.350 -2.902 1.00 0.41 C ATOM 3049 C ILE B 102 7.125 16.367 -2.006 1.00 0.51 C ATOM 3050 O ILE B 102 7.085 17.560 -2.305 1.00 0.79 O ATOM 3051 CB ILE B 102 8.087 15.978 -4.287 1.00 0.52 C ATOM 3052 CG1 ILE B 102 6.815 15.944 -5.147 1.00 0.71 C ATOM 3053 CG2 ILE B 102 9.228 15.246 -4.983 1.00 0.76 C ATOM 3054 CD1 ILE B 102 6.963 16.643 -6.480 1.00 1.32 C ATOM 0 H ILE B 102 6.055 14.300 -3.298 1.00 0.36 H new ATOM 0 HA ILE B 102 8.777 15.072 -2.460 1.00 0.41 H new ATOM 0 HB ILE B 102 8.376 17.020 -4.150 1.00 0.52 H new ATOM 0 HG12 ILE B 102 6.532 14.906 -5.321 1.00 0.71 H new ATOM 0 HG13 ILE B 102 5.999 16.408 -4.592 1.00 0.71 H new ATOM 0 HG21 ILE B 102 9.408 15.697 -5.959 1.00 0.76 H new ATOM 0 HG22 ILE B 102 10.131 15.320 -4.377 1.00 0.76 H new ATOM 0 HG23 ILE B 102 8.962 14.197 -5.112 1.00 0.76 H new ATOM 0 HD11 ILE B 102 6.025 16.578 -7.031 1.00 1.32 H new ATOM 0 HD12 ILE B 102 7.215 17.691 -6.315 1.00 1.32 H new ATOM 0 HD13 ILE B 102 7.756 16.165 -7.055 1.00 1.32 H new ATOM 3066 N LYS B 103 6.572 15.885 -0.903 1.00 0.59 N ATOM 3067 CA LYS B 103 5.869 16.746 0.036 1.00 0.76 C ATOM 3068 C LYS B 103 6.562 16.727 1.392 1.00 0.91 C ATOM 3069 O LYS B 103 6.469 15.699 2.096 1.00 1.07 O ATOM 3070 CB LYS B 103 4.411 16.299 0.181 1.00 0.86 C ATOM 3071 CG LYS B 103 3.659 16.196 -1.137 1.00 1.00 C ATOM 3072 CD LYS B 103 3.413 17.561 -1.761 1.00 1.15 C ATOM 3073 CE LYS B 103 2.931 17.437 -3.196 1.00 1.32 C ATOM 3074 NZ LYS B 103 1.581 16.814 -3.287 1.00 1.74 N ATOM 3075 OXT LYS B 103 7.210 17.735 1.743 1.00 1.20 O ATOM 0 H LYS B 103 6.597 14.901 -0.636 1.00 0.59 H new ATOM 0 HA LYS B 103 5.884 17.765 -0.350 1.00 0.76 H new ATOM 0 HB2 LYS B 103 4.387 15.329 0.677 1.00 0.86 H new ATOM 0 HB3 LYS B 103 3.890 17.002 0.831 1.00 0.86 H new ATOM 0 HG2 LYS B 103 4.227 15.577 -1.831 1.00 1.00 H new ATOM 0 HG3 LYS B 103 2.705 15.696 -0.972 1.00 1.00 H new ATOM 0 HD2 LYS B 103 2.673 18.103 -1.173 1.00 1.15 H new ATOM 0 HD3 LYS B 103 4.332 18.146 -1.734 1.00 1.15 H new ATOM 0 HE2 LYS B 103 2.904 18.425 -3.655 1.00 1.32 H new ATOM 0 HE3 LYS B 103 3.643 16.840 -3.766 1.00 1.32 H new ATOM 0 HZ1 LYS B 103 1.295 16.750 -4.285 1.00 1.74 H new ATOM 0 HZ2 LYS B 103 1.610 15.860 -2.874 1.00 1.74 H new ATOM 0 HZ3 LYS B 103 0.894 17.396 -2.766 1.00 1.74 H new