USER MOD reduce.3.24.130724 H: found=0, std=0, add=1554, rem=0, adj=40 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 62 SER OG : rot -89:sc= 0.505 USER MOD Set 1.2: B 69 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: B 67 SER OG : rot -85:sc= 1.27 USER MOD Set 2.2: B 68 GLN : amide:sc= 1.02 K(o=2.3,f=-3.2) USER MOD Set 3.1: A 88 CYS SG : rot 130:sc= 0.363 USER MOD Set 3.2: A 90 SER OG : rot -78:sc= 0.448 USER MOD Set 4.1: A 52 THR OG1 : rot 120:sc= 1.39 USER MOD Set 4.2: A 58 HIS : no HE2:sc= 1.22 K(o=2.6,f=-2.6!) USER MOD Set 5.1: A 22 TYR OH : rot 180:sc= 0 USER MOD Set 5.2: A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ 148:sc= 2.43 (180deg=-1.11) USER MOD Single : A 31 MET CE :methyl -178:sc= -0.208 (180deg=-0.223) USER MOD Single : A 32 SER OG : rot 180:sc=0.000159 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 THR OG1 : rot -38:sc= 0.668 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 48 TYR OH : rot 100:sc= 0 USER MOD Single : A 50 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 GLN : amide:sc= 0.345 K(o=0.34,f=-0.39) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 60 CYS SG : rot -170:sc= -0.532 USER MOD Single : A 65 THR OG1 : rot 76:sc= 0.269 USER MOD Single : A 66 SER OG : rot 180:sc= -0.343 USER MOD Single : A 68 ASN : amide:sc= -0.0232 K(o=-0.023,f=-1.1!) USER MOD Single : A 80 CYS SG : rot 89:sc= -3.52! USER MOD Single : A 83 LYS NZ :NH3+ 164:sc= 1.28 (180deg=0.953) USER MOD Single : A 87 GLN : amide:sc= -0.242 X(o=-0.24,f=-0.4) USER MOD Single : A 94 TYR OH : rot -140:sc= 0.152 USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 1.17 (180deg=1.17) USER MOD Single : A 99 LYS NZ :NH3+ 177:sc= 1.22 (180deg=1.2) USER MOD Single : A 102 SER OG : rot 180:sc= 0.00378 USER MOD Single : A 103 LYS NZ :NH3+ 135:sc= -0.15 (180deg=-0.819) USER MOD Single : A 109 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 110 GLN : amide:sc= -1.46! C(o=-1.5!,f=-7!) USER MOD Single : A 113 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 THR OG1 : rot 180:sc= 0.0205 USER MOD Single : A 116 GLN : amide:sc= -1.07 K(o=-1.1,f=-0.39) USER MOD Single : A 120 HIS : no HD1:sc= -1.08 K(o=-1.1,f=-1.8) USER MOD Single : A 121 CYS SG : rot 38:sc= 1.12 USER MOD Single : A 123 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 125 ASN : amide:sc= 1.22 K(o=1.2,f=-6.7!) USER MOD Single : A 127 TYR OH : rot 180:sc= 0 USER MOD Single : A 129 ASN : amide:sc= 0.179 K(o=0.18,f=-1.7!) USER MOD Single : A 130 ASN : amide:sc= -0.119 K(o=-0.12,f=-0.97) USER MOD Single : B 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 34 LYS NZ :NH3+ 175:sc= 1.16 (180deg=1.08) USER MOD Single : B 36 THR OG1 : rot 180:sc= 0 USER MOD Single : B 38 LYS NZ :NH3+ -177:sc= 1.06 (180deg=1.02) USER MOD Single : B 39 THR OG1 : rot 22:sc= 0.328 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= -1.73! C(o=-1.7!,f=-5.5!) USER MOD Single : B 52 SER OG : rot -140:sc= -0.964 USER MOD Single : B 53 SER OG : rot 180:sc= 0 USER MOD Single : B 55 GLN : amide:sc= -0.0274 K(o=-0.027,f=-1.3!) USER MOD Single : B 56 GLN : amide:sc= -0.687 X(o=-0.69,f=-0.24) USER MOD Single : B 58 LYS NZ :NH3+ -164:sc= 1.22 (180deg=1.07) USER MOD Single : B 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 71 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 79 LYS NZ :NH3+ -150:sc= 0 (180deg=-0.328) USER MOD Single : B 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 84 GLN : amide:sc= -0.0393 X(o=-0.039,f=-0.29) USER MOD Single : B 86 THR OG1 : rot 180:sc= 0 USER MOD Single : B 89 GLN : amide:sc= 0.0196 X(o=0.02,f=-0.09) USER MOD Single : B 90 HIS : no HD1:sc=-0.00796 X(o=-0.008,f=0) USER MOD Single : B 93 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 97 THR OG1 : rot 68:sc= 1.22 USER MOD Single : B 99 HIS : no HE2:sc= -1.95! C(o=-0.6!,f=-8.6!) USER MOD Single : B 103 LYS NZ :NH3+ -162:sc= -0.645 (180deg=-1.01) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 21 -11.528 21.403 8.080 1.00 0.79 N ATOM 2 CA LYS A 21 -12.795 20.640 8.154 1.00 0.63 C ATOM 3 C LYS A 21 -12.640 19.293 7.458 1.00 0.53 C ATOM 4 O LYS A 21 -11.628 19.042 6.802 1.00 0.61 O ATOM 5 CB LYS A 21 -13.944 21.436 7.521 1.00 0.62 C ATOM 6 CG LYS A 21 -13.862 21.555 6.005 1.00 0.66 C ATOM 7 CD LYS A 21 -15.027 22.356 5.444 1.00 0.77 C ATOM 8 CE LYS A 21 -14.833 23.849 5.662 1.00 0.90 C ATOM 9 NZ LYS A 21 -16.101 24.604 5.512 1.00 1.10 N ATOM 0 HA LYS A 21 -13.033 20.468 9.204 1.00 0.63 H new ATOM 0 HB2 LYS A 21 -14.889 20.961 7.786 1.00 0.62 H new ATOM 0 HB3 LYS A 21 -13.958 22.437 7.952 1.00 0.62 H new ATOM 0 HG2 LYS A 21 -12.923 22.034 5.727 1.00 0.66 H new ATOM 0 HG3 LYS A 21 -13.856 20.560 5.561 1.00 0.66 H new ATOM 0 HD2 LYS A 21 -15.130 22.153 4.378 1.00 0.77 H new ATOM 0 HD3 LYS A 21 -15.953 22.035 5.920 1.00 0.77 H new ATOM 0 HE2 LYS A 21 -14.426 24.020 6.659 1.00 0.90 H new ATOM 0 HE3 LYS A 21 -14.100 24.227 4.949 1.00 0.90 H new ATOM 0 HZ1 LYS A 21 -15.923 25.617 5.669 1.00 1.10 H new ATOM 0 HZ2 LYS A 21 -16.478 24.463 4.553 1.00 1.10 H new ATOM 0 HZ3 LYS A 21 -16.793 24.262 6.209 1.00 1.10 H new ATOM 23 N TYR A 22 -13.637 18.431 7.597 1.00 0.49 N ATOM 24 CA TYR A 22 -13.590 17.115 6.976 1.00 0.49 C ATOM 25 C TYR A 22 -14.119 17.178 5.547 1.00 0.47 C ATOM 26 O TYR A 22 -15.189 17.740 5.299 1.00 0.57 O ATOM 27 CB TYR A 22 -14.412 16.100 7.778 1.00 0.56 C ATOM 28 CG TYR A 22 -14.173 16.126 9.277 1.00 0.55 C ATOM 29 CD1 TYR A 22 -12.943 16.488 9.813 1.00 0.56 C ATOM 30 CD2 TYR A 22 -15.190 15.777 10.154 1.00 0.61 C ATOM 31 CE1 TYR A 22 -12.736 16.504 11.180 1.00 0.60 C ATOM 32 CE2 TYR A 22 -14.993 15.789 11.521 1.00 0.67 C ATOM 33 CZ TYR A 22 -13.765 16.153 12.031 1.00 0.65 C ATOM 34 OH TYR A 22 -13.570 16.176 13.396 1.00 0.75 O ATOM 0 H TYR A 22 -14.485 18.618 8.132 1.00 0.49 H new ATOM 0 HA TYR A 22 -12.549 16.793 6.961 1.00 0.49 H new ATOM 0 HB2 TYR A 22 -15.470 16.282 7.590 1.00 0.56 H new ATOM 0 HB3 TYR A 22 -14.190 15.100 7.407 1.00 0.56 H new ATOM 0 HD1 TYR A 22 -12.135 16.761 9.151 1.00 0.56 H new ATOM 0 HD2 TYR A 22 -16.154 15.491 9.760 1.00 0.61 H new ATOM 0 HE1 TYR A 22 -11.774 16.790 11.580 1.00 0.60 H new ATOM 0 HE2 TYR A 22 -15.797 15.514 12.187 1.00 0.67 H new ATOM 0 HH TYR A 22 -14.395 15.902 13.849 1.00 0.75 H new ATOM 44 N LEU A 23 -13.368 16.612 4.610 1.00 0.41 N ATOM 45 CA LEU A 23 -13.778 16.595 3.211 1.00 0.43 C ATOM 46 C LEU A 23 -14.831 15.515 3.006 1.00 0.43 C ATOM 47 O LEU A 23 -15.969 15.799 2.620 1.00 0.52 O ATOM 48 CB LEU A 23 -12.573 16.345 2.301 1.00 0.45 C ATOM 49 CG LEU A 23 -11.560 17.492 2.234 1.00 0.54 C ATOM 50 CD1 LEU A 23 -10.246 17.016 1.635 1.00 0.64 C ATOM 51 CD2 LEU A 23 -12.119 18.656 1.432 1.00 0.70 C ATOM 0 H LEU A 23 -12.473 16.159 4.793 1.00 0.41 H new ATOM 0 HA LEU A 23 -14.202 17.565 2.952 1.00 0.43 H new ATOM 0 HB2 LEU A 23 -12.059 15.447 2.643 1.00 0.45 H new ATOM 0 HB3 LEU A 23 -12.935 16.141 1.293 1.00 0.45 H new ATOM 0 HG LEU A 23 -11.369 17.835 3.251 1.00 0.54 H new ATOM 0 HD11 LEU A 23 -9.541 17.847 1.597 1.00 0.64 H new ATOM 0 HD12 LEU A 23 -9.833 16.218 2.252 1.00 0.64 H new ATOM 0 HD13 LEU A 23 -10.420 16.642 0.626 1.00 0.64 H new ATOM 0 HD21 LEU A 23 -11.384 19.460 1.397 1.00 0.70 H new ATOM 0 HD22 LEU A 23 -12.343 18.325 0.418 1.00 0.70 H new ATOM 0 HD23 LEU A 23 -13.031 19.019 1.905 1.00 0.70 H new ATOM 63 N VAL A 24 -14.446 14.281 3.288 1.00 0.42 N ATOM 64 CA VAL A 24 -15.345 13.145 3.179 1.00 0.46 C ATOM 65 C VAL A 24 -15.622 12.625 4.581 1.00 0.43 C ATOM 66 O VAL A 24 -14.706 12.558 5.400 1.00 0.44 O ATOM 67 CB VAL A 24 -14.745 12.011 2.310 1.00 0.54 C ATOM 68 CG1 VAL A 24 -15.796 10.952 1.998 1.00 0.70 C ATOM 69 CG2 VAL A 24 -14.158 12.572 1.027 1.00 0.76 C ATOM 0 H VAL A 24 -13.505 14.040 3.598 1.00 0.42 H new ATOM 0 HA VAL A 24 -16.264 13.471 2.692 1.00 0.46 H new ATOM 0 HB VAL A 24 -13.943 11.539 2.878 1.00 0.54 H new ATOM 0 HG11 VAL A 24 -15.351 10.167 1.387 1.00 0.70 H new ATOM 0 HG12 VAL A 24 -16.166 10.522 2.928 1.00 0.70 H new ATOM 0 HG13 VAL A 24 -16.623 11.409 1.455 1.00 0.70 H new ATOM 0 HG21 VAL A 24 -13.742 11.759 0.431 1.00 0.76 H new ATOM 0 HG22 VAL A 24 -14.940 13.075 0.458 1.00 0.76 H new ATOM 0 HG23 VAL A 24 -13.370 13.285 1.269 1.00 0.76 H new ATOM 79 N GLU A 25 -16.874 12.286 4.872 1.00 0.45 N ATOM 80 CA GLU A 25 -17.234 11.790 6.197 1.00 0.45 C ATOM 81 C GLU A 25 -18.456 10.881 6.151 1.00 0.47 C ATOM 82 O GLU A 25 -19.433 11.161 5.450 1.00 0.55 O ATOM 83 CB GLU A 25 -17.500 12.961 7.152 1.00 0.49 C ATOM 84 CG GLU A 25 -18.398 14.042 6.564 1.00 0.56 C ATOM 85 CD GLU A 25 -19.185 14.793 7.619 1.00 0.69 C ATOM 86 OE1 GLU A 25 -18.812 14.738 8.810 1.00 0.95 O ATOM 87 OE2 GLU A 25 -20.194 15.441 7.266 1.00 0.96 O ATOM 0 H GLU A 25 -17.651 12.345 4.214 1.00 0.45 H new ATOM 0 HA GLU A 25 -16.391 11.204 6.562 1.00 0.45 H new ATOM 0 HB2 GLU A 25 -17.958 12.577 8.064 1.00 0.49 H new ATOM 0 HB3 GLU A 25 -16.548 13.408 7.438 1.00 0.49 H new ATOM 0 HG2 GLU A 25 -17.787 14.749 6.002 1.00 0.56 H new ATOM 0 HG3 GLU A 25 -19.091 13.587 5.857 1.00 0.56 H new ATOM 94 N PHE A 26 -18.375 9.784 6.892 1.00 0.43 N ATOM 95 CA PHE A 26 -19.464 8.829 6.994 1.00 0.46 C ATOM 96 C PHE A 26 -19.301 8.002 8.262 1.00 0.45 C ATOM 97 O PHE A 26 -18.192 7.852 8.779 1.00 0.44 O ATOM 98 CB PHE A 26 -19.548 7.924 5.756 1.00 0.47 C ATOM 99 CG PHE A 26 -18.319 7.100 5.479 1.00 0.46 C ATOM 100 CD1 PHE A 26 -17.294 7.593 4.687 1.00 0.51 C ATOM 101 CD2 PHE A 26 -18.196 5.821 5.997 1.00 0.48 C ATOM 102 CE1 PHE A 26 -16.171 6.830 4.424 1.00 0.55 C ATOM 103 CE2 PHE A 26 -17.077 5.053 5.737 1.00 0.49 C ATOM 104 CZ PHE A 26 -16.064 5.559 4.951 1.00 0.51 C ATOM 0 H PHE A 26 -17.551 9.533 7.439 1.00 0.43 H new ATOM 0 HA PHE A 26 -20.401 9.383 7.045 1.00 0.46 H new ATOM 0 HB2 PHE A 26 -20.398 7.251 5.875 1.00 0.47 H new ATOM 0 HB3 PHE A 26 -19.753 8.546 4.885 1.00 0.47 H new ATOM 0 HD1 PHE A 26 -17.373 8.586 4.270 1.00 0.51 H new ATOM 0 HD2 PHE A 26 -18.986 5.418 6.613 1.00 0.48 H new ATOM 0 HE1 PHE A 26 -15.379 7.228 3.807 1.00 0.55 H new ATOM 0 HE2 PHE A 26 -16.996 4.058 6.149 1.00 0.49 H new ATOM 0 HZ PHE A 26 -15.188 4.962 4.748 1.00 0.51 H new ATOM 114 N ARG A 27 -20.404 7.485 8.771 1.00 0.47 N ATOM 115 CA ARG A 27 -20.373 6.687 9.983 1.00 0.47 C ATOM 116 C ARG A 27 -20.123 5.223 9.652 1.00 0.45 C ATOM 117 O ARG A 27 -20.879 4.608 8.899 1.00 0.46 O ATOM 118 CB ARG A 27 -21.685 6.850 10.752 1.00 0.51 C ATOM 119 CG ARG A 27 -21.942 8.284 11.197 1.00 0.55 C ATOM 120 CD ARG A 27 -23.414 8.528 11.493 1.00 0.61 C ATOM 121 NE ARG A 27 -24.219 8.578 10.275 1.00 0.62 N ATOM 122 CZ ARG A 27 -25.415 9.162 10.197 1.00 0.73 C ATOM 123 NH1 ARG A 27 -25.945 9.753 11.266 1.00 0.84 N ATOM 124 NH2 ARG A 27 -26.078 9.156 9.048 1.00 0.77 N ATOM 0 H ARG A 27 -21.332 7.603 8.364 1.00 0.47 H new ATOM 0 HA ARG A 27 -19.555 7.037 10.612 1.00 0.47 H new ATOM 0 HB2 ARG A 27 -22.511 6.517 10.124 1.00 0.51 H new ATOM 0 HB3 ARG A 27 -21.669 6.201 11.628 1.00 0.51 H new ATOM 0 HG2 ARG A 27 -21.352 8.500 12.087 1.00 0.55 H new ATOM 0 HG3 ARG A 27 -21.609 8.971 10.419 1.00 0.55 H new ATOM 0 HD2 ARG A 27 -23.789 7.737 12.142 1.00 0.61 H new ATOM 0 HD3 ARG A 27 -23.523 9.466 12.038 1.00 0.61 H new ATOM 0 HE ARG A 27 -23.844 8.140 9.434 1.00 0.62 H new ATOM 0 HH11 ARG A 27 -25.436 9.760 12.150 1.00 0.84 H new ATOM 0 HH12 ARG A 27 -26.860 10.198 11.201 1.00 0.84 H new ATOM 0 HH21 ARG A 27 -25.673 8.705 8.228 1.00 0.77 H new ATOM 0 HH22 ARG A 27 -26.993 9.602 8.985 1.00 0.77 H new ATOM 138 N ALA A 28 -19.057 4.673 10.213 1.00 0.44 N ATOM 139 CA ALA A 28 -18.696 3.288 9.980 1.00 0.43 C ATOM 140 C ALA A 28 -17.859 2.757 11.132 1.00 0.42 C ATOM 141 O ALA A 28 -17.128 3.508 11.785 1.00 0.44 O ATOM 142 CB ALA A 28 -17.948 3.139 8.665 1.00 0.42 C ATOM 0 H ALA A 28 -18.424 5.172 10.838 1.00 0.44 H new ATOM 0 HA ALA A 28 -19.613 2.702 9.918 1.00 0.43 H new ATOM 0 HB1 ALA A 28 -17.687 2.092 8.511 1.00 0.42 H new ATOM 0 HB2 ALA A 28 -18.581 3.479 7.846 1.00 0.42 H new ATOM 0 HB3 ALA A 28 -17.038 3.739 8.694 1.00 0.42 H new ATOM 148 N GLY A 29 -17.976 1.466 11.384 1.00 0.43 N ATOM 149 CA GLY A 29 -17.236 0.848 12.458 1.00 0.43 C ATOM 150 C GLY A 29 -15.941 0.238 11.977 1.00 0.41 C ATOM 151 O GLY A 29 -15.773 -0.006 10.783 1.00 0.46 O ATOM 0 H GLY A 29 -18.576 0.830 10.859 1.00 0.43 H new ATOM 0 HA2 GLY A 29 -17.023 1.592 13.226 1.00 0.43 H new ATOM 0 HA3 GLY A 29 -17.849 0.076 12.923 1.00 0.43 H new ATOM 155 N LYS A 30 -15.031 -0.026 12.900 1.00 0.42 N ATOM 156 CA LYS A 30 -13.737 -0.600 12.552 1.00 0.42 C ATOM 157 C LYS A 30 -13.650 -2.057 12.992 1.00 0.41 C ATOM 158 O LYS A 30 -14.431 -2.514 13.831 1.00 0.45 O ATOM 159 CB LYS A 30 -12.605 0.208 13.196 1.00 0.48 C ATOM 160 CG LYS A 30 -12.597 0.158 14.721 1.00 0.54 C ATOM 161 CD LYS A 30 -11.492 1.017 15.311 1.00 0.67 C ATOM 162 CE LYS A 30 -10.113 0.442 15.026 1.00 0.70 C ATOM 163 NZ LYS A 30 -9.053 1.140 15.800 1.00 0.60 N ATOM 0 H LYS A 30 -15.162 0.147 13.897 1.00 0.42 H new ATOM 0 HA LYS A 30 -13.632 -0.560 11.468 1.00 0.42 H new ATOM 0 HB2 LYS A 30 -11.650 -0.165 12.825 1.00 0.48 H new ATOM 0 HB3 LYS A 30 -12.687 1.247 12.877 1.00 0.48 H new ATOM 0 HG2 LYS A 30 -13.561 0.496 15.100 1.00 0.54 H new ATOM 0 HG3 LYS A 30 -12.469 -0.873 15.050 1.00 0.54 H new ATOM 0 HD2 LYS A 30 -11.557 2.025 14.900 1.00 0.67 H new ATOM 0 HD3 LYS A 30 -11.634 1.102 16.388 1.00 0.67 H new ATOM 0 HE2 LYS A 30 -10.104 -0.620 15.273 1.00 0.70 H new ATOM 0 HE3 LYS A 30 -9.898 0.523 13.960 1.00 0.70 H new ATOM 0 HZ1 LYS A 30 -8.292 0.469 16.029 1.00 0.60 H new ATOM 0 HZ2 LYS A 30 -8.667 1.922 15.233 1.00 0.60 H new ATOM 0 HZ3 LYS A 30 -9.458 1.518 16.680 1.00 0.60 H new ATOM 177 N MET A 31 -12.708 -2.782 12.407 1.00 0.43 N ATOM 178 CA MET A 31 -12.494 -4.182 12.745 1.00 0.44 C ATOM 179 C MET A 31 -11.055 -4.387 13.194 1.00 0.46 C ATOM 180 O MET A 31 -10.117 -4.077 12.457 1.00 0.55 O ATOM 181 CB MET A 31 -12.805 -5.087 11.551 1.00 0.46 C ATOM 182 CG MET A 31 -14.157 -4.820 10.918 1.00 0.47 C ATOM 183 SD MET A 31 -14.759 -6.216 9.948 1.00 0.54 S ATOM 184 CE MET A 31 -16.290 -5.538 9.314 1.00 0.61 C ATOM 0 H MET A 31 -12.076 -2.422 11.692 1.00 0.43 H new ATOM 0 HA MET A 31 -13.169 -4.449 13.558 1.00 0.44 H new ATOM 0 HB2 MET A 31 -12.029 -4.958 10.797 1.00 0.46 H new ATOM 0 HB3 MET A 31 -12.765 -6.127 11.875 1.00 0.46 H new ATOM 0 HG2 MET A 31 -14.880 -4.587 11.700 1.00 0.47 H new ATOM 0 HG3 MET A 31 -14.086 -3.941 10.277 1.00 0.47 H new ATOM 0 HE1 MET A 31 -16.804 -6.294 8.720 1.00 0.61 H new ATOM 0 HE2 MET A 31 -16.926 -5.236 10.146 1.00 0.61 H new ATOM 0 HE3 MET A 31 -16.073 -4.671 8.690 1.00 0.61 H new ATOM 194 N SER A 32 -10.884 -4.896 14.400 1.00 0.49 N ATOM 195 CA SER A 32 -9.559 -5.129 14.953 1.00 0.52 C ATOM 196 C SER A 32 -9.121 -6.576 14.741 1.00 0.52 C ATOM 197 O SER A 32 -9.936 -7.501 14.804 1.00 0.54 O ATOM 198 CB SER A 32 -9.567 -4.794 16.443 1.00 0.59 C ATOM 199 OG SER A 32 -10.657 -3.938 16.765 1.00 0.93 O ATOM 0 H SER A 32 -11.650 -5.158 15.020 1.00 0.49 H new ATOM 0 HA SER A 32 -8.847 -4.486 14.436 1.00 0.52 H new ATOM 0 HB2 SER A 32 -9.636 -5.712 17.026 1.00 0.59 H new ATOM 0 HB3 SER A 32 -8.628 -4.313 16.717 1.00 0.59 H new ATOM 0 HG SER A 32 -10.644 -3.738 17.724 1.00 0.93 H new ATOM 205 N LEU A 33 -7.836 -6.769 14.481 1.00 0.54 N ATOM 206 CA LEU A 33 -7.292 -8.100 14.278 1.00 0.56 C ATOM 207 C LEU A 33 -6.781 -8.667 15.598 1.00 0.58 C ATOM 208 O LEU A 33 -5.661 -8.377 16.020 1.00 0.63 O ATOM 209 CB LEU A 33 -6.157 -8.075 13.252 1.00 0.58 C ATOM 210 CG LEU A 33 -5.417 -9.403 13.073 1.00 0.61 C ATOM 211 CD1 LEU A 33 -6.253 -10.385 12.264 1.00 0.62 C ATOM 212 CD2 LEU A 33 -4.067 -9.180 12.414 1.00 0.67 C ATOM 0 H LEU A 33 -7.151 -6.017 14.406 1.00 0.54 H new ATOM 0 HA LEU A 33 -8.090 -8.738 13.897 1.00 0.56 H new ATOM 0 HB2 LEU A 33 -6.565 -7.771 12.288 1.00 0.58 H new ATOM 0 HB3 LEU A 33 -5.437 -7.312 13.548 1.00 0.58 H new ATOM 0 HG LEU A 33 -5.250 -9.833 14.061 1.00 0.61 H new ATOM 0 HD11 LEU A 33 -5.706 -11.321 12.150 1.00 0.62 H new ATOM 0 HD12 LEU A 33 -7.193 -10.575 12.781 1.00 0.62 H new ATOM 0 HD13 LEU A 33 -6.459 -9.963 11.280 1.00 0.62 H new ATOM 0 HD21 LEU A 33 -3.557 -10.136 12.296 1.00 0.67 H new ATOM 0 HD22 LEU A 33 -4.211 -8.722 11.435 1.00 0.67 H new ATOM 0 HD23 LEU A 33 -3.462 -8.521 13.037 1.00 0.67 H new ATOM 224 N LYS A 34 -7.612 -9.455 16.254 1.00 0.59 N ATOM 225 CA LYS A 34 -7.236 -10.067 17.516 1.00 0.63 C ATOM 226 C LYS A 34 -6.532 -11.390 17.242 1.00 0.65 C ATOM 227 O LYS A 34 -7.180 -12.419 17.027 1.00 0.68 O ATOM 228 CB LYS A 34 -8.469 -10.279 18.400 1.00 0.66 C ATOM 229 CG LYS A 34 -9.265 -9.004 18.638 1.00 0.68 C ATOM 230 CD LYS A 34 -10.529 -9.274 19.437 1.00 0.76 C ATOM 231 CE LYS A 34 -11.481 -8.088 19.384 1.00 0.84 C ATOM 232 NZ LYS A 34 -12.745 -8.353 20.117 1.00 1.01 N ATOM 0 H LYS A 34 -8.552 -9.687 15.934 1.00 0.59 H new ATOM 0 HA LYS A 34 -6.555 -9.404 18.050 1.00 0.63 H new ATOM 0 HB2 LYS A 34 -9.117 -11.022 17.936 1.00 0.66 H new ATOM 0 HB3 LYS A 34 -8.153 -10.687 19.360 1.00 0.66 H new ATOM 0 HG2 LYS A 34 -8.645 -8.282 19.169 1.00 0.68 H new ATOM 0 HG3 LYS A 34 -9.528 -8.555 17.680 1.00 0.68 H new ATOM 0 HD2 LYS A 34 -11.027 -10.161 19.045 1.00 0.76 H new ATOM 0 HD3 LYS A 34 -10.268 -9.487 20.474 1.00 0.76 H new ATOM 0 HE2 LYS A 34 -10.992 -7.212 19.810 1.00 0.84 H new ATOM 0 HE3 LYS A 34 -11.708 -7.852 18.344 1.00 0.84 H new ATOM 0 HZ1 LYS A 34 -13.364 -7.519 20.055 1.00 1.01 H new ATOM 0 HZ2 LYS A 34 -13.226 -9.173 19.695 1.00 1.01 H new ATOM 0 HZ3 LYS A 34 -12.532 -8.553 21.115 1.00 1.01 H new ATOM 246 N GLY A 35 -5.206 -11.351 17.213 1.00 0.66 N ATOM 247 CA GLY A 35 -4.430 -12.543 16.941 1.00 0.70 C ATOM 248 C GLY A 35 -4.403 -12.847 15.458 1.00 0.70 C ATOM 249 O GLY A 35 -3.528 -12.374 14.729 1.00 0.75 O ATOM 0 H GLY A 35 -4.653 -10.510 17.374 1.00 0.66 H new ATOM 0 HA2 GLY A 35 -3.412 -12.410 17.307 1.00 0.70 H new ATOM 0 HA3 GLY A 35 -4.855 -13.389 17.481 1.00 0.70 H new ATOM 253 N THR A 36 -5.375 -13.621 15.008 1.00 0.68 N ATOM 254 CA THR A 36 -5.486 -13.974 13.603 1.00 0.70 C ATOM 255 C THR A 36 -6.953 -13.929 13.178 1.00 0.68 C ATOM 256 O THR A 36 -7.319 -14.368 12.085 1.00 0.72 O ATOM 257 CB THR A 36 -4.891 -15.376 13.316 1.00 0.75 C ATOM 258 OG1 THR A 36 -4.884 -15.634 11.905 1.00 0.82 O ATOM 259 CG2 THR A 36 -5.687 -16.465 14.029 1.00 0.77 C ATOM 0 H THR A 36 -6.104 -14.020 15.600 1.00 0.68 H new ATOM 0 HA THR A 36 -4.913 -13.249 13.025 1.00 0.70 H new ATOM 0 HB THR A 36 -3.868 -15.388 13.692 1.00 0.75 H new ATOM 0 HG1 THR A 36 -5.703 -15.275 11.503 1.00 0.82 H new ATOM 0 HG21 THR A 36 -5.248 -17.439 13.811 1.00 0.77 H new ATOM 0 HG22 THR A 36 -5.662 -16.289 15.104 1.00 0.77 H new ATOM 0 HG23 THR A 36 -6.720 -16.447 13.682 1.00 0.77 H new ATOM 267 N THR A 37 -7.786 -13.369 14.049 1.00 0.66 N ATOM 268 CA THR A 37 -9.211 -13.276 13.795 1.00 0.66 C ATOM 269 C THR A 37 -9.681 -11.825 13.761 1.00 0.61 C ATOM 270 O THR A 37 -9.587 -11.101 14.754 1.00 0.61 O ATOM 271 CB THR A 37 -9.998 -14.048 14.873 1.00 0.71 C ATOM 272 OG1 THR A 37 -9.327 -15.282 15.166 1.00 0.79 O ATOM 273 CG2 THR A 37 -11.423 -14.331 14.413 1.00 0.81 C ATOM 0 H THR A 37 -7.492 -12.972 14.941 1.00 0.66 H new ATOM 0 HA THR A 37 -9.399 -13.719 12.817 1.00 0.66 H new ATOM 0 HB THR A 37 -10.046 -13.433 15.772 1.00 0.71 H new ATOM 0 HG1 THR A 37 -9.827 -15.771 15.852 1.00 0.79 H new ATOM 0 HG21 THR A 37 -11.955 -14.876 15.192 1.00 0.81 H new ATOM 0 HG22 THR A 37 -11.935 -13.389 14.215 1.00 0.81 H new ATOM 0 HG23 THR A 37 -11.399 -14.930 13.503 1.00 0.81 H new ATOM 281 N VAL A 38 -10.159 -11.402 12.601 1.00 0.60 N ATOM 282 CA VAL A 38 -10.668 -10.051 12.423 1.00 0.57 C ATOM 283 C VAL A 38 -12.025 -9.928 13.106 1.00 0.57 C ATOM 284 O VAL A 38 -12.975 -10.622 12.744 1.00 0.64 O ATOM 285 CB VAL A 38 -10.811 -9.693 10.927 1.00 0.57 C ATOM 286 CG1 VAL A 38 -11.308 -8.265 10.751 1.00 0.59 C ATOM 287 CG2 VAL A 38 -9.489 -9.888 10.204 1.00 0.61 C ATOM 0 H VAL A 38 -10.205 -11.981 11.762 1.00 0.60 H new ATOM 0 HA VAL A 38 -9.956 -9.358 12.871 1.00 0.57 H new ATOM 0 HB VAL A 38 -11.550 -10.364 10.489 1.00 0.57 H new ATOM 0 HG11 VAL A 38 -11.399 -8.040 9.688 1.00 0.59 H new ATOM 0 HG12 VAL A 38 -12.281 -8.157 11.230 1.00 0.59 H new ATOM 0 HG13 VAL A 38 -10.600 -7.574 11.209 1.00 0.59 H new ATOM 0 HG21 VAL A 38 -9.609 -9.631 9.151 1.00 0.61 H new ATOM 0 HG22 VAL A 38 -8.731 -9.244 10.651 1.00 0.61 H new ATOM 0 HG23 VAL A 38 -9.177 -10.929 10.290 1.00 0.61 H new ATOM 297 N THR A 39 -12.111 -9.064 14.104 1.00 0.56 N ATOM 298 CA THR A 39 -13.351 -8.879 14.838 1.00 0.58 C ATOM 299 C THR A 39 -13.824 -7.429 14.763 1.00 0.55 C ATOM 300 O THR A 39 -13.088 -6.507 15.115 1.00 0.55 O ATOM 301 CB THR A 39 -13.173 -9.282 16.314 1.00 0.64 C ATOM 302 OG1 THR A 39 -11.900 -9.915 16.495 1.00 0.67 O ATOM 303 CG2 THR A 39 -14.276 -10.231 16.756 1.00 0.74 C ATOM 0 H THR A 39 -11.338 -8.481 14.424 1.00 0.56 H new ATOM 0 HA THR A 39 -14.104 -9.519 14.377 1.00 0.58 H new ATOM 0 HB THR A 39 -13.226 -8.379 16.922 1.00 0.64 H new ATOM 0 HG1 THR A 39 -11.995 -10.671 17.112 1.00 0.67 H new ATOM 0 HG21 THR A 39 -14.127 -10.500 17.802 1.00 0.74 H new ATOM 0 HG22 THR A 39 -15.244 -9.743 16.641 1.00 0.74 H new ATOM 0 HG23 THR A 39 -14.249 -11.131 16.142 1.00 0.74 H new ATOM 311 N PRO A 40 -15.050 -7.204 14.277 1.00 0.55 N ATOM 312 CA PRO A 40 -15.609 -5.861 14.166 1.00 0.54 C ATOM 313 C PRO A 40 -16.060 -5.314 15.518 1.00 0.56 C ATOM 314 O PRO A 40 -16.662 -6.034 16.318 1.00 0.63 O ATOM 315 CB PRO A 40 -16.811 -6.056 13.242 1.00 0.56 C ATOM 316 CG PRO A 40 -17.235 -7.469 13.455 1.00 0.65 C ATOM 317 CD PRO A 40 -15.988 -8.241 13.798 1.00 0.58 C ATOM 0 HA PRO A 40 -14.880 -5.141 13.793 1.00 0.54 H new ATOM 0 HB2 PRO A 40 -17.614 -5.361 13.487 1.00 0.56 H new ATOM 0 HB3 PRO A 40 -16.542 -5.877 12.201 1.00 0.56 H new ATOM 0 HG2 PRO A 40 -17.967 -7.537 14.259 1.00 0.65 H new ATOM 0 HG3 PRO A 40 -17.707 -7.872 12.559 1.00 0.65 H new ATOM 0 HD2 PRO A 40 -16.180 -8.991 14.565 1.00 0.58 H new ATOM 0 HD3 PRO A 40 -15.592 -8.768 12.930 1.00 0.58 H new ATOM 325 N ASP A 41 -15.747 -4.052 15.785 1.00 0.53 N ATOM 326 CA ASP A 41 -16.147 -3.420 17.035 1.00 0.56 C ATOM 327 C ASP A 41 -17.630 -3.066 16.961 1.00 0.58 C ATOM 328 O ASP A 41 -18.242 -3.171 15.897 1.00 0.66 O ATOM 329 CB ASP A 41 -15.303 -2.169 17.300 1.00 0.57 C ATOM 330 CG ASP A 41 -15.181 -1.846 18.777 1.00 0.61 C ATOM 331 OD1 ASP A 41 -16.196 -1.455 19.395 1.00 0.64 O ATOM 332 OD2 ASP A 41 -14.067 -1.974 19.328 1.00 0.68 O ATOM 0 H ASP A 41 -15.219 -3.448 15.155 1.00 0.53 H new ATOM 0 HA ASP A 41 -15.983 -4.112 17.861 1.00 0.56 H new ATOM 0 HB2 ASP A 41 -14.307 -2.312 16.880 1.00 0.57 H new ATOM 0 HB3 ASP A 41 -15.748 -1.319 16.782 1.00 0.57 H new ATOM 337 N LYS A 42 -18.204 -2.637 18.073 1.00 0.61 N ATOM 338 CA LYS A 42 -19.625 -2.303 18.114 1.00 0.64 C ATOM 339 C LYS A 42 -19.838 -0.805 18.301 1.00 0.64 C ATOM 340 O LYS A 42 -20.961 -0.312 18.174 1.00 0.76 O ATOM 341 CB LYS A 42 -20.316 -3.073 19.239 1.00 0.71 C ATOM 342 CG LYS A 42 -20.200 -4.582 19.100 1.00 0.72 C ATOM 343 CD LYS A 42 -20.760 -5.295 20.315 1.00 0.84 C ATOM 344 CE LYS A 42 -20.547 -6.798 20.223 1.00 0.90 C ATOM 345 NZ LYS A 42 -20.988 -7.492 21.458 1.00 1.08 N ATOM 0 H LYS A 42 -17.713 -2.511 18.958 1.00 0.61 H new ATOM 0 HA LYS A 42 -20.064 -2.591 17.158 1.00 0.64 H new ATOM 0 HB2 LYS A 42 -19.886 -2.770 20.194 1.00 0.71 H new ATOM 0 HB3 LYS A 42 -21.370 -2.798 19.263 1.00 0.71 H new ATOM 0 HG2 LYS A 42 -20.733 -4.909 18.207 1.00 0.72 H new ATOM 0 HG3 LYS A 42 -19.154 -4.857 18.965 1.00 0.72 H new ATOM 0 HD2 LYS A 42 -20.281 -4.913 21.216 1.00 0.84 H new ATOM 0 HD3 LYS A 42 -21.825 -5.082 20.405 1.00 0.84 H new ATOM 0 HE2 LYS A 42 -21.097 -7.192 19.368 1.00 0.90 H new ATOM 0 HE3 LYS A 42 -19.492 -7.006 20.046 1.00 0.90 H new ATOM 0 HZ1 LYS A 42 -20.827 -8.515 21.358 1.00 1.08 H new ATOM 0 HZ2 LYS A 42 -20.445 -7.134 22.270 1.00 1.08 H new ATOM 0 HZ3 LYS A 42 -22.001 -7.314 21.613 1.00 1.08 H new ATOM 359 N ARG A 43 -18.764 -0.088 18.594 1.00 0.58 N ATOM 360 CA ARG A 43 -18.845 1.351 18.801 1.00 0.58 C ATOM 361 C ARG A 43 -19.149 2.089 17.503 1.00 0.55 C ATOM 362 O ARG A 43 -18.683 1.704 16.428 1.00 0.55 O ATOM 363 CB ARG A 43 -17.536 1.879 19.383 1.00 0.58 C ATOM 364 CG ARG A 43 -17.319 1.510 20.838 1.00 0.60 C ATOM 365 CD ARG A 43 -15.891 1.788 21.259 1.00 0.60 C ATOM 366 NE ARG A 43 -14.940 0.938 20.544 1.00 0.57 N ATOM 367 CZ ARG A 43 -13.802 1.374 20.016 1.00 0.57 C ATOM 368 NH1 ARG A 43 -13.461 2.653 20.117 1.00 0.62 N ATOM 369 NH2 ARG A 43 -12.997 0.523 19.388 1.00 0.57 N ATOM 0 H ARG A 43 -17.827 -0.478 18.694 1.00 0.58 H new ATOM 0 HA ARG A 43 -19.660 1.532 19.501 1.00 0.58 H new ATOM 0 HB2 ARG A 43 -16.705 1.493 18.792 1.00 0.58 H new ATOM 0 HB3 ARG A 43 -17.518 2.965 19.287 1.00 0.58 H new ATOM 0 HG2 ARG A 43 -18.005 2.077 21.467 1.00 0.60 H new ATOM 0 HG3 ARG A 43 -17.548 0.455 20.988 1.00 0.60 H new ATOM 0 HD2 ARG A 43 -15.654 2.835 21.072 1.00 0.60 H new ATOM 0 HD3 ARG A 43 -15.790 1.624 22.332 1.00 0.60 H new ATOM 0 HE ARG A 43 -15.165 -0.052 20.444 1.00 0.57 H new ATOM 0 HH11 ARG A 43 -14.074 3.308 20.602 1.00 0.62 H new ATOM 0 HH12 ARG A 43 -12.586 2.981 19.709 1.00 0.62 H new ATOM 0 HH21 ARG A 43 -13.254 -0.461 19.313 1.00 0.57 H new ATOM 0 HH22 ARG A 43 -12.122 0.854 18.981 1.00 0.57 H new ATOM 383 N LYS A 44 -19.937 3.147 17.608 1.00 0.57 N ATOM 384 CA LYS A 44 -20.283 3.962 16.455 1.00 0.56 C ATOM 385 C LYS A 44 -19.188 4.991 16.226 1.00 0.53 C ATOM 386 O LYS A 44 -19.031 5.925 17.015 1.00 0.59 O ATOM 387 CB LYS A 44 -21.625 4.661 16.668 1.00 0.62 C ATOM 388 CG LYS A 44 -22.783 3.707 16.870 1.00 0.70 C ATOM 389 CD LYS A 44 -24.033 4.450 17.313 1.00 0.79 C ATOM 390 CE LYS A 44 -25.150 3.492 17.688 1.00 0.93 C ATOM 391 NZ LYS A 44 -26.323 4.208 18.251 1.00 1.07 N ATOM 0 H LYS A 44 -20.351 3.463 18.485 1.00 0.57 H new ATOM 0 HA LYS A 44 -20.373 3.319 15.579 1.00 0.56 H new ATOM 0 HB2 LYS A 44 -21.550 5.316 17.536 1.00 0.62 H new ATOM 0 HB3 LYS A 44 -21.835 5.296 15.807 1.00 0.62 H new ATOM 0 HG2 LYS A 44 -22.984 3.172 15.942 1.00 0.70 H new ATOM 0 HG3 LYS A 44 -22.516 2.960 17.617 1.00 0.70 H new ATOM 0 HD2 LYS A 44 -23.796 5.085 18.166 1.00 0.79 H new ATOM 0 HD3 LYS A 44 -24.370 5.107 16.511 1.00 0.79 H new ATOM 0 HE2 LYS A 44 -25.457 2.928 16.807 1.00 0.93 H new ATOM 0 HE3 LYS A 44 -24.781 2.770 18.416 1.00 0.93 H new ATOM 0 HZ1 LYS A 44 -27.065 3.521 18.495 1.00 1.07 H new ATOM 0 HZ2 LYS A 44 -26.036 4.726 19.106 1.00 1.07 H new ATOM 0 HZ3 LYS A 44 -26.691 4.879 17.547 1.00 1.07 H new ATOM 405 N GLY A 45 -18.432 4.814 15.155 1.00 0.52 N ATOM 406 CA GLY A 45 -17.346 5.723 14.864 1.00 0.51 C ATOM 407 C GLY A 45 -17.630 6.617 13.678 1.00 0.48 C ATOM 408 O GLY A 45 -18.714 6.570 13.093 1.00 0.50 O ATOM 0 H GLY A 45 -18.551 4.057 14.482 1.00 0.52 H new ATOM 0 HA2 GLY A 45 -17.151 6.341 15.740 1.00 0.51 H new ATOM 0 HA3 GLY A 45 -16.440 5.149 14.671 1.00 0.51 H new ATOM 412 N LEU A 46 -16.656 7.441 13.339 1.00 0.46 N ATOM 413 CA LEU A 46 -16.780 8.356 12.222 1.00 0.45 C ATOM 414 C LEU A 46 -15.532 8.286 11.354 1.00 0.41 C ATOM 415 O LEU A 46 -14.419 8.537 11.825 1.00 0.42 O ATOM 416 CB LEU A 46 -16.994 9.785 12.730 1.00 0.47 C ATOM 417 CG LEU A 46 -17.086 10.858 11.641 1.00 0.51 C ATOM 418 CD1 LEU A 46 -18.348 10.679 10.813 1.00 0.56 C ATOM 419 CD2 LEU A 46 -17.040 12.243 12.259 1.00 0.59 C ATOM 0 H LEU A 46 -15.762 7.494 13.827 1.00 0.46 H new ATOM 0 HA LEU A 46 -17.643 8.068 11.622 1.00 0.45 H new ATOM 0 HB2 LEU A 46 -17.910 9.810 13.320 1.00 0.47 H new ATOM 0 HB3 LEU A 46 -16.175 10.041 13.402 1.00 0.47 H new ATOM 0 HG LEU A 46 -16.229 10.749 10.977 1.00 0.51 H new ATOM 0 HD11 LEU A 46 -18.392 11.452 10.046 1.00 0.56 H new ATOM 0 HD12 LEU A 46 -18.336 9.698 10.339 1.00 0.56 H new ATOM 0 HD13 LEU A 46 -19.222 10.759 11.460 1.00 0.56 H new ATOM 0 HD21 LEU A 46 -17.106 12.995 11.473 1.00 0.59 H new ATOM 0 HD22 LEU A 46 -17.877 12.363 12.947 1.00 0.59 H new ATOM 0 HD23 LEU A 46 -16.103 12.368 12.802 1.00 0.59 H new ATOM 431 N VAL A 47 -15.718 7.922 10.098 1.00 0.40 N ATOM 432 CA VAL A 47 -14.616 7.829 9.162 1.00 0.39 C ATOM 433 C VAL A 47 -14.594 9.072 8.294 1.00 0.37 C ATOM 434 O VAL A 47 -15.490 9.284 7.470 1.00 0.40 O ATOM 435 CB VAL A 47 -14.731 6.584 8.262 1.00 0.41 C ATOM 436 CG1 VAL A 47 -13.426 6.345 7.518 1.00 0.57 C ATOM 437 CG2 VAL A 47 -15.118 5.358 9.078 1.00 0.43 C ATOM 0 H VAL A 47 -16.628 7.685 9.703 1.00 0.40 H new ATOM 0 HA VAL A 47 -13.693 7.744 9.736 1.00 0.39 H new ATOM 0 HB VAL A 47 -15.518 6.763 7.530 1.00 0.41 H new ATOM 0 HG11 VAL A 47 -13.524 5.462 6.887 1.00 0.57 H new ATOM 0 HG12 VAL A 47 -13.197 7.211 6.897 1.00 0.57 H new ATOM 0 HG13 VAL A 47 -12.621 6.190 8.236 1.00 0.57 H new ATOM 0 HG21 VAL A 47 -15.193 4.492 8.420 1.00 0.43 H new ATOM 0 HG22 VAL A 47 -14.359 5.172 9.838 1.00 0.43 H new ATOM 0 HG23 VAL A 47 -16.080 5.531 9.561 1.00 0.43 H new ATOM 447 N TYR A 48 -13.589 9.903 8.488 1.00 0.37 N ATOM 448 CA TYR A 48 -13.475 11.128 7.726 1.00 0.37 C ATOM 449 C TYR A 48 -12.060 11.316 7.207 1.00 0.34 C ATOM 450 O TYR A 48 -11.103 10.758 7.751 1.00 0.36 O ATOM 451 CB TYR A 48 -13.883 12.332 8.582 1.00 0.43 C ATOM 452 CG TYR A 48 -13.015 12.541 9.806 1.00 0.44 C ATOM 453 CD1 TYR A 48 -11.835 13.272 9.732 1.00 0.46 C ATOM 454 CD2 TYR A 48 -13.377 12.008 11.035 1.00 0.63 C ATOM 455 CE1 TYR A 48 -11.041 13.462 10.847 1.00 0.54 C ATOM 456 CE2 TYR A 48 -12.589 12.195 12.153 1.00 0.73 C ATOM 457 CZ TYR A 48 -11.424 12.922 12.054 1.00 0.64 C ATOM 458 OH TYR A 48 -10.635 13.107 13.169 1.00 0.78 O ATOM 0 H TYR A 48 -12.842 9.752 9.166 1.00 0.37 H new ATOM 0 HA TYR A 48 -14.149 11.056 6.872 1.00 0.37 H new ATOM 0 HB2 TYR A 48 -13.848 13.231 7.967 1.00 0.43 H new ATOM 0 HB3 TYR A 48 -14.918 12.204 8.901 1.00 0.43 H new ATOM 0 HD1 TYR A 48 -11.534 13.699 8.787 1.00 0.46 H new ATOM 0 HD2 TYR A 48 -14.290 11.437 11.118 1.00 0.63 H new ATOM 0 HE1 TYR A 48 -10.126 14.031 10.772 1.00 0.54 H new ATOM 0 HE2 TYR A 48 -12.885 11.773 13.102 1.00 0.73 H new ATOM 0 HH TYR A 48 -11.007 13.829 13.717 1.00 0.78 H new ATOM 468 N ILE A 49 -11.933 12.100 6.150 1.00 0.33 N ATOM 469 CA ILE A 49 -10.639 12.389 5.565 1.00 0.32 C ATOM 470 C ILE A 49 -10.334 13.878 5.686 1.00 0.30 C ATOM 471 O ILE A 49 -11.171 14.723 5.354 1.00 0.35 O ATOM 472 CB ILE A 49 -10.571 11.969 4.084 1.00 0.37 C ATOM 473 CG1 ILE A 49 -11.145 10.563 3.897 1.00 0.48 C ATOM 474 CG2 ILE A 49 -9.135 12.023 3.586 1.00 0.41 C ATOM 475 CD1 ILE A 49 -11.324 10.163 2.449 1.00 0.69 C ATOM 0 H ILE A 49 -12.718 12.550 5.678 1.00 0.33 H new ATOM 0 HA ILE A 49 -9.895 11.811 6.113 1.00 0.32 H new ATOM 0 HB ILE A 49 -11.171 12.667 3.500 1.00 0.37 H new ATOM 0 HG12 ILE A 49 -10.486 9.844 4.384 1.00 0.48 H new ATOM 0 HG13 ILE A 49 -12.109 10.504 4.402 1.00 0.48 H new ATOM 0 HG21 ILE A 49 -9.102 11.724 2.538 1.00 0.41 H new ATOM 0 HG22 ILE A 49 -8.753 13.039 3.686 1.00 0.41 H new ATOM 0 HG23 ILE A 49 -8.519 11.345 4.177 1.00 0.41 H new ATOM 0 HD11 ILE A 49 -11.735 9.155 2.398 1.00 0.69 H new ATOM 0 HD12 ILE A 49 -12.007 10.858 1.961 1.00 0.69 H new ATOM 0 HD13 ILE A 49 -10.359 10.188 1.943 1.00 0.69 H new ATOM 487 N GLN A 50 -9.145 14.187 6.182 1.00 0.30 N ATOM 488 CA GLN A 50 -8.718 15.564 6.360 1.00 0.33 C ATOM 489 C GLN A 50 -7.369 15.778 5.686 1.00 0.30 C ATOM 490 O GLN A 50 -6.571 14.845 5.569 1.00 0.36 O ATOM 491 CB GLN A 50 -8.622 15.893 7.853 1.00 0.42 C ATOM 492 CG GLN A 50 -8.302 17.348 8.142 1.00 0.51 C ATOM 493 CD GLN A 50 -7.804 17.564 9.557 1.00 0.66 C ATOM 494 OE1 GLN A 50 -6.613 17.425 9.833 1.00 0.82 O ATOM 495 NE2 GLN A 50 -8.702 17.921 10.460 1.00 0.86 N ATOM 0 H GLN A 50 -8.454 13.494 6.470 1.00 0.30 H new ATOM 0 HA GLN A 50 -9.451 16.228 5.901 1.00 0.33 H new ATOM 0 HB2 GLN A 50 -9.566 15.636 8.333 1.00 0.42 H new ATOM 0 HB3 GLN A 50 -7.854 15.265 8.305 1.00 0.42 H new ATOM 0 HG2 GLN A 50 -7.547 17.697 7.438 1.00 0.51 H new ATOM 0 HG3 GLN A 50 -9.194 17.952 7.978 1.00 0.51 H new ATOM 0 HE21 GLN A 50 -9.681 18.026 10.192 1.00 0.86 H new ATOM 0 HE22 GLN A 50 -8.416 18.091 11.424 1.00 0.86 H new ATOM 504 N GLN A 51 -7.117 16.996 5.238 1.00 0.37 N ATOM 505 CA GLN A 51 -5.862 17.320 4.583 1.00 0.37 C ATOM 506 C GLN A 51 -5.182 18.475 5.310 1.00 0.39 C ATOM 507 O GLN A 51 -5.820 19.482 5.617 1.00 0.51 O ATOM 508 CB GLN A 51 -6.108 17.681 3.116 1.00 0.44 C ATOM 509 CG GLN A 51 -4.836 17.776 2.292 1.00 0.52 C ATOM 510 CD GLN A 51 -5.112 17.947 0.814 1.00 0.72 C ATOM 511 OE1 GLN A 51 -6.129 18.519 0.421 1.00 0.91 O ATOM 512 NE2 GLN A 51 -4.218 17.440 -0.020 1.00 0.93 N ATOM 0 H GLN A 51 -7.767 17.778 5.316 1.00 0.37 H new ATOM 0 HA GLN A 51 -5.207 16.449 4.618 1.00 0.37 H new ATOM 0 HB2 GLN A 51 -6.764 16.933 2.671 1.00 0.44 H new ATOM 0 HB3 GLN A 51 -6.634 18.635 3.068 1.00 0.44 H new ATOM 0 HG2 GLN A 51 -4.240 18.617 2.646 1.00 0.52 H new ATOM 0 HG3 GLN A 51 -4.240 16.876 2.445 1.00 0.52 H new ATOM 0 HE21 GLN A 51 -3.388 16.973 0.345 1.00 0.93 H new ATOM 0 HE22 GLN A 51 -4.359 17.516 -1.027 1.00 0.93 H new ATOM 521 N THR A 52 -3.901 18.317 5.605 1.00 0.38 N ATOM 522 CA THR A 52 -3.143 19.346 6.301 1.00 0.45 C ATOM 523 C THR A 52 -2.505 20.328 5.313 1.00 0.36 C ATOM 524 O THR A 52 -2.610 20.150 4.098 1.00 0.33 O ATOM 525 CB THR A 52 -2.060 18.703 7.184 1.00 0.59 C ATOM 526 OG1 THR A 52 -1.752 17.388 6.697 1.00 0.65 O ATOM 527 CG2 THR A 52 -2.524 18.613 8.629 1.00 0.80 C ATOM 0 H THR A 52 -3.362 17.483 5.372 1.00 0.38 H new ATOM 0 HA THR A 52 -3.834 19.904 6.933 1.00 0.45 H new ATOM 0 HB THR A 52 -1.168 19.328 7.142 1.00 0.59 H new ATOM 0 HG1 THR A 52 -0.806 17.346 6.445 1.00 0.65 H new ATOM 0 HG21 THR A 52 -1.742 18.155 9.234 1.00 0.80 H new ATOM 0 HG22 THR A 52 -2.736 19.614 9.006 1.00 0.80 H new ATOM 0 HG23 THR A 52 -3.428 18.006 8.684 1.00 0.80 H new ATOM 535 N ASP A 53 -1.836 21.357 5.840 1.00 0.40 N ATOM 536 CA ASP A 53 -1.186 22.376 5.007 1.00 0.41 C ATOM 537 C ASP A 53 -0.093 21.765 4.132 1.00 0.39 C ATOM 538 O ASP A 53 0.209 22.272 3.051 1.00 0.52 O ATOM 539 CB ASP A 53 -0.584 23.487 5.878 1.00 0.52 C ATOM 540 CG ASP A 53 0.721 23.078 6.541 1.00 0.62 C ATOM 541 OD1 ASP A 53 0.673 22.380 7.574 1.00 0.77 O ATOM 542 OD2 ASP A 53 1.801 23.458 6.036 1.00 0.74 O ATOM 0 H ASP A 53 -1.729 21.508 6.843 1.00 0.40 H new ATOM 0 HA ASP A 53 -1.952 22.803 4.359 1.00 0.41 H new ATOM 0 HB2 ASP A 53 -0.412 24.370 5.263 1.00 0.52 H new ATOM 0 HB3 ASP A 53 -1.303 23.769 6.647 1.00 0.52 H new ATOM 547 N ASP A 54 0.478 20.662 4.594 1.00 0.42 N ATOM 548 CA ASP A 54 1.535 19.976 3.857 1.00 0.55 C ATOM 549 C ASP A 54 0.943 19.115 2.745 1.00 0.45 C ATOM 550 O ASP A 54 1.656 18.356 2.083 1.00 0.52 O ATOM 551 CB ASP A 54 2.390 19.123 4.803 1.00 0.73 C ATOM 552 CG ASP A 54 1.565 18.387 5.841 1.00 0.74 C ATOM 553 OD1 ASP A 54 0.471 17.898 5.496 1.00 0.65 O ATOM 554 OD2 ASP A 54 2.008 18.305 7.013 1.00 1.10 O ATOM 0 H ASP A 54 0.228 20.220 5.479 1.00 0.42 H new ATOM 0 HA ASP A 54 2.178 20.730 3.402 1.00 0.55 H new ATOM 0 HB2 ASP A 54 2.958 18.400 4.218 1.00 0.73 H new ATOM 0 HB3 ASP A 54 3.113 19.763 5.308 1.00 0.73 H new ATOM 559 N SER A 55 -0.372 19.238 2.560 1.00 0.36 N ATOM 560 CA SER A 55 -1.110 18.512 1.528 1.00 0.40 C ATOM 561 C SER A 55 -1.149 17.011 1.801 1.00 0.37 C ATOM 562 O SER A 55 -1.538 16.226 0.933 1.00 0.52 O ATOM 563 CB SER A 55 -0.511 18.791 0.146 1.00 0.57 C ATOM 564 OG SER A 55 -0.218 20.171 -0.012 1.00 0.66 O ATOM 0 H SER A 55 -0.959 19.850 3.127 1.00 0.36 H new ATOM 0 HA SER A 55 -2.139 18.872 1.548 1.00 0.40 H new ATOM 0 HB2 SER A 55 0.399 18.205 0.015 1.00 0.57 H new ATOM 0 HB3 SER A 55 -1.209 18.473 -0.628 1.00 0.57 H new ATOM 0 HG SER A 55 0.165 20.324 -0.901 1.00 0.66 H new ATOM 570 N LEU A 56 -0.763 16.611 3.007 1.00 0.28 N ATOM 571 CA LEU A 56 -0.770 15.204 3.370 1.00 0.31 C ATOM 572 C LEU A 56 -2.187 14.746 3.674 1.00 0.27 C ATOM 573 O LEU A 56 -2.886 15.342 4.497 1.00 0.30 O ATOM 574 CB LEU A 56 0.141 14.941 4.571 1.00 0.38 C ATOM 575 CG LEU A 56 1.640 15.116 4.307 1.00 0.40 C ATOM 576 CD1 LEU A 56 2.445 14.718 5.534 1.00 0.49 C ATOM 577 CD2 LEU A 56 2.078 14.300 3.102 1.00 0.48 C ATOM 0 H LEU A 56 -0.443 17.239 3.744 1.00 0.28 H new ATOM 0 HA LEU A 56 -0.387 14.634 2.523 1.00 0.31 H new ATOM 0 HB2 LEU A 56 -0.149 15.611 5.380 1.00 0.38 H new ATOM 0 HB3 LEU A 56 -0.033 13.924 4.922 1.00 0.38 H new ATOM 0 HG LEU A 56 1.825 16.168 4.092 1.00 0.40 H new ATOM 0 HD11 LEU A 56 3.508 14.848 5.330 1.00 0.49 H new ATOM 0 HD12 LEU A 56 2.158 15.346 6.377 1.00 0.49 H new ATOM 0 HD13 LEU A 56 2.247 13.674 5.776 1.00 0.49 H new ATOM 0 HD21 LEU A 56 3.146 14.441 2.936 1.00 0.48 H new ATOM 0 HD22 LEU A 56 1.876 13.245 3.284 1.00 0.48 H new ATOM 0 HD23 LEU A 56 1.527 14.628 2.221 1.00 0.48 H new ATOM 589 N ILE A 57 -2.606 13.692 2.998 1.00 0.27 N ATOM 590 CA ILE A 57 -3.937 13.145 3.181 1.00 0.26 C ATOM 591 C ILE A 57 -3.987 12.332 4.467 1.00 0.24 C ATOM 592 O ILE A 57 -3.211 11.401 4.641 1.00 0.29 O ATOM 593 CB ILE A 57 -4.334 12.245 1.992 1.00 0.30 C ATOM 594 CG1 ILE A 57 -4.008 12.930 0.661 1.00 0.45 C ATOM 595 CG2 ILE A 57 -5.811 11.880 2.064 1.00 0.35 C ATOM 596 CD1 ILE A 57 -4.795 14.199 0.416 1.00 0.57 C ATOM 0 H ILE A 57 -2.038 13.195 2.312 1.00 0.27 H new ATOM 0 HA ILE A 57 -4.641 13.975 3.239 1.00 0.26 H new ATOM 0 HB ILE A 57 -3.753 11.325 2.051 1.00 0.30 H new ATOM 0 HG12 ILE A 57 -2.944 13.163 0.635 1.00 0.45 H new ATOM 0 HG13 ILE A 57 -4.201 12.231 -0.153 1.00 0.45 H new ATOM 0 HG21 ILE A 57 -6.071 11.245 1.217 1.00 0.35 H new ATOM 0 HG22 ILE A 57 -6.009 11.345 2.993 1.00 0.35 H new ATOM 0 HG23 ILE A 57 -6.412 12.789 2.034 1.00 0.35 H new ATOM 0 HD11 ILE A 57 -4.508 14.625 -0.546 1.00 0.57 H new ATOM 0 HD12 ILE A 57 -5.861 13.970 0.408 1.00 0.57 H new ATOM 0 HD13 ILE A 57 -4.584 14.917 1.208 1.00 0.57 H new ATOM 608 N HIS A 58 -4.880 12.687 5.372 1.00 0.25 N ATOM 609 CA HIS A 58 -4.995 11.966 6.630 1.00 0.27 C ATOM 610 C HIS A 58 -6.287 11.169 6.687 1.00 0.27 C ATOM 611 O HIS A 58 -7.382 11.728 6.589 1.00 0.33 O ATOM 612 CB HIS A 58 -4.930 12.926 7.826 1.00 0.32 C ATOM 613 CG HIS A 58 -3.533 13.326 8.214 1.00 0.39 C ATOM 614 ND1 HIS A 58 -2.827 12.736 9.250 1.00 0.51 N ATOM 615 CD2 HIS A 58 -2.720 14.285 7.709 1.00 0.48 C ATOM 616 CE1 HIS A 58 -1.643 13.315 9.355 1.00 0.61 C ATOM 617 NE2 HIS A 58 -1.556 14.256 8.434 1.00 0.59 N ATOM 0 H HIS A 58 -5.532 13.464 5.263 1.00 0.25 H new ATOM 0 HA HIS A 58 -4.152 11.277 6.686 1.00 0.27 H new ATOM 0 HB2 HIS A 58 -5.502 13.824 7.590 1.00 0.32 H new ATOM 0 HB3 HIS A 58 -5.414 12.456 8.683 1.00 0.32 H new ATOM 0 HD1 HIS A 58 -3.167 11.975 9.839 1.00 0.51 H new ATOM 0 HD2 HIS A 58 -2.946 14.949 6.888 1.00 0.48 H new ATOM 0 HE1 HIS A 58 -0.877 13.061 10.073 1.00 0.61 H new ATOM 626 N PHE A 59 -6.152 9.862 6.818 1.00 0.27 N ATOM 627 CA PHE A 59 -7.294 8.973 6.931 1.00 0.28 C ATOM 628 C PHE A 59 -7.339 8.472 8.361 1.00 0.31 C ATOM 629 O PHE A 59 -6.537 7.620 8.754 1.00 0.36 O ATOM 630 CB PHE A 59 -7.166 7.804 5.953 1.00 0.31 C ATOM 631 CG PHE A 59 -8.446 7.046 5.721 1.00 0.45 C ATOM 632 CD1 PHE A 59 -8.807 5.990 6.543 1.00 0.63 C ATOM 633 CD2 PHE A 59 -9.284 7.389 4.674 1.00 0.69 C ATOM 634 CE1 PHE A 59 -9.978 5.291 6.324 1.00 0.84 C ATOM 635 CE2 PHE A 59 -10.457 6.694 4.449 1.00 0.92 C ATOM 636 CZ PHE A 59 -10.805 5.644 5.275 1.00 0.94 C ATOM 0 H PHE A 59 -5.250 9.387 6.849 1.00 0.27 H new ATOM 0 HA PHE A 59 -8.215 9.501 6.683 1.00 0.28 H new ATOM 0 HB2 PHE A 59 -6.804 8.183 4.997 1.00 0.31 H new ATOM 0 HB3 PHE A 59 -6.411 7.113 6.328 1.00 0.31 H new ATOM 0 HD1 PHE A 59 -8.165 5.710 7.365 1.00 0.63 H new ATOM 0 HD2 PHE A 59 -9.018 8.210 4.025 1.00 0.69 H new ATOM 0 HE1 PHE A 59 -10.247 4.470 6.972 1.00 0.84 H new ATOM 0 HE2 PHE A 59 -11.101 6.972 3.628 1.00 0.92 H new ATOM 0 HZ PHE A 59 -11.722 5.100 5.102 1.00 0.94 H new ATOM 646 N CYS A 60 -8.253 9.008 9.148 1.00 0.33 N ATOM 647 CA CYS A 60 -8.328 8.642 10.546 1.00 0.38 C ATOM 648 C CYS A 60 -9.719 8.188 10.962 1.00 0.38 C ATOM 649 O CYS A 60 -10.729 8.646 10.422 1.00 0.40 O ATOM 650 CB CYS A 60 -7.909 9.840 11.397 1.00 0.43 C ATOM 651 SG CYS A 60 -6.747 10.959 10.578 1.00 0.46 S ATOM 0 H CYS A 60 -8.947 9.692 8.845 1.00 0.33 H new ATOM 0 HA CYS A 60 -7.656 7.798 10.701 1.00 0.38 H new ATOM 0 HB2 CYS A 60 -8.800 10.401 11.678 1.00 0.43 H new ATOM 0 HB3 CYS A 60 -7.457 9.476 12.320 1.00 0.43 H new ATOM 0 HG CYS A 60 -6.291 11.819 11.440 1.00 0.46 H new ATOM 657 N TRP A 61 -9.750 7.274 11.925 1.00 0.39 N ATOM 658 CA TRP A 61 -10.994 6.762 12.473 1.00 0.39 C ATOM 659 C TRP A 61 -11.202 7.383 13.845 1.00 0.42 C ATOM 660 O TRP A 61 -10.383 7.197 14.750 1.00 0.45 O ATOM 661 CB TRP A 61 -10.957 5.234 12.581 1.00 0.40 C ATOM 662 CG TRP A 61 -12.296 4.617 12.889 1.00 0.41 C ATOM 663 CD1 TRP A 61 -13.235 4.215 11.984 1.00 0.43 C ATOM 664 CD2 TRP A 61 -12.841 4.331 14.187 1.00 0.43 C ATOM 665 NE1 TRP A 61 -14.332 3.700 12.638 1.00 0.45 N ATOM 666 CE2 TRP A 61 -14.113 3.762 13.989 1.00 0.45 C ATOM 667 CE3 TRP A 61 -12.379 4.505 15.497 1.00 0.46 C ATOM 668 CZ2 TRP A 61 -14.924 3.360 15.049 1.00 0.49 C ATOM 669 CZ3 TRP A 61 -13.187 4.106 16.548 1.00 0.51 C ATOM 670 CH2 TRP A 61 -14.448 3.542 16.318 1.00 0.52 C ATOM 0 H TRP A 61 -8.913 6.869 12.345 1.00 0.39 H new ATOM 0 HA TRP A 61 -11.820 7.024 11.812 1.00 0.39 H new ATOM 0 HB2 TRP A 61 -10.583 4.821 11.644 1.00 0.40 H new ATOM 0 HB3 TRP A 61 -10.248 4.950 13.359 1.00 0.40 H new ATOM 0 HD1 TRP A 61 -13.133 4.290 10.911 1.00 0.43 H new ATOM 0 HE1 TRP A 61 -15.171 3.332 12.190 1.00 0.45 H new ATOM 0 HE3 TRP A 61 -11.410 4.943 15.684 1.00 0.46 H new ATOM 0 HZ2 TRP A 61 -15.895 2.920 14.874 1.00 0.49 H new ATOM 0 HZ3 TRP A 61 -12.839 4.232 17.563 1.00 0.51 H new ATOM 0 HH2 TRP A 61 -15.057 3.245 17.159 1.00 0.52 H new ATOM 681 N LYS A 62 -12.282 8.125 13.998 1.00 0.46 N ATOM 682 CA LYS A 62 -12.562 8.796 15.253 1.00 0.50 C ATOM 683 C LYS A 62 -13.744 8.166 15.974 1.00 0.51 C ATOM 684 O LYS A 62 -14.783 7.897 15.366 1.00 0.51 O ATOM 685 CB LYS A 62 -12.842 10.273 14.987 1.00 0.57 C ATOM 686 CG LYS A 62 -13.019 11.116 16.241 1.00 0.63 C ATOM 687 CD LYS A 62 -13.276 12.573 15.891 1.00 0.75 C ATOM 688 CE LYS A 62 -13.170 13.471 17.112 1.00 0.93 C ATOM 689 NZ LYS A 62 -13.300 14.905 16.749 1.00 1.04 N ATOM 0 H LYS A 62 -12.979 8.278 13.270 1.00 0.46 H new ATOM 0 HA LYS A 62 -11.688 8.693 15.897 1.00 0.50 H new ATOM 0 HB2 LYS A 62 -12.022 10.686 14.400 1.00 0.57 H new ATOM 0 HB3 LYS A 62 -13.743 10.355 14.379 1.00 0.57 H new ATOM 0 HG2 LYS A 62 -13.851 10.728 16.829 1.00 0.63 H new ATOM 0 HG3 LYS A 62 -12.127 11.040 16.862 1.00 0.63 H new ATOM 0 HD2 LYS A 62 -12.559 12.898 15.137 1.00 0.75 H new ATOM 0 HD3 LYS A 62 -14.268 12.672 15.451 1.00 0.75 H new ATOM 0 HE2 LYS A 62 -13.947 13.205 17.829 1.00 0.93 H new ATOM 0 HE3 LYS A 62 -12.212 13.305 17.604 1.00 0.93 H new ATOM 0 HZ1 LYS A 62 -13.223 15.489 17.606 1.00 1.04 H new ATOM 0 HZ2 LYS A 62 -12.544 15.165 16.084 1.00 1.04 H new ATOM 0 HZ3 LYS A 62 -14.225 15.067 16.302 1.00 1.04 H new ATOM 703 N ASP A 63 -13.573 7.928 17.266 1.00 0.53 N ATOM 704 CA ASP A 63 -14.630 7.359 18.088 1.00 0.55 C ATOM 705 C ASP A 63 -15.593 8.469 18.480 1.00 0.57 C ATOM 706 O ASP A 63 -15.180 9.492 19.026 1.00 0.62 O ATOM 707 CB ASP A 63 -14.040 6.697 19.337 1.00 0.61 C ATOM 708 CG ASP A 63 -15.053 5.889 20.136 1.00 0.65 C ATOM 709 OD1 ASP A 63 -16.271 6.149 20.016 1.00 0.92 O ATOM 710 OD2 ASP A 63 -14.625 4.995 20.903 1.00 1.09 O ATOM 0 H ASP A 63 -12.707 8.121 17.770 1.00 0.53 H new ATOM 0 HA ASP A 63 -15.162 6.593 17.523 1.00 0.55 H new ATOM 0 HB2 ASP A 63 -13.221 6.043 19.038 1.00 0.61 H new ATOM 0 HB3 ASP A 63 -13.615 7.468 19.980 1.00 0.61 H new ATOM 715 N ARG A 64 -16.872 8.268 18.200 1.00 0.58 N ATOM 716 CA ARG A 64 -17.883 9.273 18.504 1.00 0.61 C ATOM 717 C ARG A 64 -18.258 9.269 19.983 1.00 0.66 C ATOM 718 O ARG A 64 -18.951 10.170 20.454 1.00 0.75 O ATOM 719 CB ARG A 64 -19.121 9.049 17.638 1.00 0.63 C ATOM 720 CG ARG A 64 -18.913 9.436 16.185 1.00 0.63 C ATOM 721 CD ARG A 64 -19.982 8.830 15.289 1.00 0.65 C ATOM 722 NE ARG A 64 -21.333 9.104 15.778 1.00 0.78 N ATOM 723 CZ ARG A 64 -22.403 8.363 15.490 1.00 0.91 C ATOM 724 NH1 ARG A 64 -22.288 7.293 14.708 1.00 0.99 N ATOM 725 NH2 ARG A 64 -23.581 8.682 16.002 1.00 1.14 N ATOM 0 H ARG A 64 -17.235 7.421 17.764 1.00 0.58 H new ATOM 0 HA ARG A 64 -17.460 10.252 18.278 1.00 0.61 H new ATOM 0 HB2 ARG A 64 -19.407 7.999 17.690 1.00 0.63 H new ATOM 0 HB3 ARG A 64 -19.951 9.626 18.046 1.00 0.63 H new ATOM 0 HG2 ARG A 64 -18.930 10.522 16.090 1.00 0.63 H new ATOM 0 HG3 ARG A 64 -17.929 9.103 15.856 1.00 0.63 H new ATOM 0 HD2 ARG A 64 -19.875 9.227 14.279 1.00 0.65 H new ATOM 0 HD3 ARG A 64 -19.832 7.752 15.225 1.00 0.65 H new ATOM 0 HE ARG A 64 -21.465 9.917 16.380 1.00 0.78 H new ATOM 0 HH11 ARG A 64 -21.378 7.036 14.326 1.00 0.99 H new ATOM 0 HH12 ARG A 64 -23.110 6.729 14.491 1.00 0.99 H new ATOM 0 HH21 ARG A 64 -23.668 9.493 16.615 1.00 1.14 H new ATOM 0 HH22 ARG A 64 -24.402 8.117 15.784 1.00 1.14 H new ATOM 739 N THR A 65 -17.797 8.267 20.715 1.00 0.68 N ATOM 740 CA THR A 65 -18.097 8.174 22.135 1.00 0.74 C ATOM 741 C THR A 65 -17.084 8.967 22.956 1.00 0.75 C ATOM 742 O THR A 65 -17.454 9.875 23.705 1.00 0.83 O ATOM 743 CB THR A 65 -18.114 6.708 22.608 1.00 0.76 C ATOM 744 OG1 THR A 65 -18.773 5.904 21.622 1.00 0.88 O ATOM 745 CG2 THR A 65 -18.834 6.571 23.944 1.00 0.93 C ATOM 0 H THR A 65 -17.217 7.511 20.352 1.00 0.68 H new ATOM 0 HA THR A 65 -19.089 8.599 22.287 1.00 0.74 H new ATOM 0 HB THR A 65 -17.085 6.372 22.740 1.00 0.76 H new ATOM 0 HG1 THR A 65 -18.174 5.766 20.859 1.00 0.88 H new ATOM 0 HG21 THR A 65 -18.831 5.526 24.254 1.00 0.93 H new ATOM 0 HG22 THR A 65 -18.324 7.174 24.696 1.00 0.93 H new ATOM 0 HG23 THR A 65 -19.863 6.915 23.840 1.00 0.93 H new ATOM 753 N SER A 66 -15.809 8.643 22.785 1.00 0.71 N ATOM 754 CA SER A 66 -14.742 9.318 23.512 1.00 0.75 C ATOM 755 C SER A 66 -14.396 10.656 22.863 1.00 0.73 C ATOM 756 O SER A 66 -14.083 11.632 23.550 1.00 0.79 O ATOM 757 CB SER A 66 -13.503 8.421 23.559 1.00 0.75 C ATOM 758 OG SER A 66 -13.248 7.844 22.288 1.00 0.75 O ATOM 0 H SER A 66 -15.488 7.915 22.147 1.00 0.71 H new ATOM 0 HA SER A 66 -15.087 9.515 24.527 1.00 0.75 H new ATOM 0 HB2 SER A 66 -12.639 9.004 23.878 1.00 0.75 H new ATOM 0 HB3 SER A 66 -13.647 7.633 24.298 1.00 0.75 H new ATOM 0 HG SER A 66 -12.451 7.276 22.341 1.00 0.75 H new ATOM 764 N GLY A 67 -14.466 10.696 21.537 1.00 0.67 N ATOM 765 CA GLY A 67 -14.149 11.909 20.813 1.00 0.67 C ATOM 766 C GLY A 67 -12.681 11.988 20.464 1.00 0.65 C ATOM 767 O GLY A 67 -12.141 13.071 20.252 1.00 0.70 O ATOM 0 H GLY A 67 -14.738 9.907 20.951 1.00 0.67 H new ATOM 0 HA2 GLY A 67 -14.742 11.953 19.900 1.00 0.67 H new ATOM 0 HA3 GLY A 67 -14.426 12.774 21.415 1.00 0.67 H new ATOM 771 N ASN A 68 -12.036 10.832 20.396 1.00 0.63 N ATOM 772 CA ASN A 68 -10.616 10.769 20.083 1.00 0.63 C ATOM 773 C ASN A 68 -10.372 10.000 18.795 1.00 0.58 C ATOM 774 O ASN A 68 -11.220 9.223 18.353 1.00 0.58 O ATOM 775 CB ASN A 68 -9.847 10.101 21.223 1.00 0.68 C ATOM 776 CG ASN A 68 -9.648 11.021 22.412 1.00 0.85 C ATOM 777 OD1 ASN A 68 -9.536 12.238 22.261 1.00 1.01 O ATOM 778 ND2 ASN A 68 -9.597 10.446 23.605 1.00 1.01 N ATOM 0 H ASN A 68 -12.474 9.924 20.554 1.00 0.63 H new ATOM 0 HA ASN A 68 -10.261 11.792 19.954 1.00 0.63 H new ATOM 0 HB2 ASN A 68 -10.385 9.209 21.545 1.00 0.68 H new ATOM 0 HB3 ASN A 68 -8.875 9.772 20.856 1.00 0.68 H new ATOM 0 HD21 ASN A 68 -9.461 11.015 24.440 1.00 1.01 H new ATOM 0 HD22 ASN A 68 -9.694 9.434 23.688 1.00 1.01 H new ATOM 785 N VAL A 69 -9.209 10.223 18.201 1.00 0.56 N ATOM 786 CA VAL A 69 -8.827 9.551 16.970 1.00 0.53 C ATOM 787 C VAL A 69 -7.935 8.361 17.287 1.00 0.51 C ATOM 788 O VAL A 69 -6.844 8.528 17.829 1.00 0.59 O ATOM 789 CB VAL A 69 -8.084 10.511 16.021 1.00 0.57 C ATOM 790 CG1 VAL A 69 -7.662 9.793 14.753 1.00 0.60 C ATOM 791 CG2 VAL A 69 -8.951 11.712 15.691 1.00 0.63 C ATOM 0 H VAL A 69 -8.507 10.872 18.557 1.00 0.56 H new ATOM 0 HA VAL A 69 -9.736 9.210 16.474 1.00 0.53 H new ATOM 0 HB VAL A 69 -7.186 10.864 16.528 1.00 0.57 H new ATOM 0 HG11 VAL A 69 -7.139 10.489 14.097 1.00 0.60 H new ATOM 0 HG12 VAL A 69 -6.999 8.966 15.007 1.00 0.60 H new ATOM 0 HG13 VAL A 69 -8.544 9.407 14.243 1.00 0.60 H new ATOM 0 HG21 VAL A 69 -8.409 12.378 15.020 1.00 0.63 H new ATOM 0 HG22 VAL A 69 -9.868 11.377 15.207 1.00 0.63 H new ATOM 0 HG23 VAL A 69 -9.199 12.245 16.609 1.00 0.63 H new ATOM 801 N GLU A 70 -8.395 7.166 16.949 1.00 0.49 N ATOM 802 CA GLU A 70 -7.630 5.957 17.222 1.00 0.51 C ATOM 803 C GLU A 70 -6.529 5.755 16.190 1.00 0.50 C ATOM 804 O GLU A 70 -5.343 5.804 16.513 1.00 0.62 O ATOM 805 CB GLU A 70 -8.551 4.738 17.244 1.00 0.55 C ATOM 806 CG GLU A 70 -9.628 4.811 18.313 1.00 0.81 C ATOM 807 CD GLU A 70 -10.309 3.481 18.554 1.00 0.68 C ATOM 808 OE1 GLU A 70 -10.305 2.627 17.645 1.00 0.69 O ATOM 809 OE2 GLU A 70 -10.856 3.287 19.661 1.00 0.71 O ATOM 0 H GLU A 70 -9.290 7.007 16.487 1.00 0.49 H new ATOM 0 HA GLU A 70 -7.164 6.072 18.201 1.00 0.51 H new ATOM 0 HB2 GLU A 70 -9.025 4.633 16.268 1.00 0.55 H new ATOM 0 HB3 GLU A 70 -7.951 3.842 17.405 1.00 0.55 H new ATOM 0 HG2 GLU A 70 -9.184 5.161 19.245 1.00 0.81 H new ATOM 0 HG3 GLU A 70 -10.375 5.548 18.019 1.00 0.81 H new ATOM 816 N ASP A 71 -6.925 5.534 14.948 1.00 0.47 N ATOM 817 CA ASP A 71 -5.964 5.311 13.876 1.00 0.46 C ATOM 818 C ASP A 71 -5.822 6.553 13.010 1.00 0.43 C ATOM 819 O ASP A 71 -6.818 7.137 12.588 1.00 0.46 O ATOM 820 CB ASP A 71 -6.387 4.118 13.012 1.00 0.51 C ATOM 821 CG ASP A 71 -6.233 2.793 13.733 1.00 0.57 C ATOM 822 OD1 ASP A 71 -7.190 2.363 14.415 1.00 0.61 O ATOM 823 OD2 ASP A 71 -5.149 2.176 13.631 1.00 0.73 O ATOM 0 H ASP A 71 -7.902 5.504 14.655 1.00 0.47 H new ATOM 0 HA ASP A 71 -4.998 5.092 14.332 1.00 0.46 H new ATOM 0 HB2 ASP A 71 -7.426 4.244 12.709 1.00 0.51 H new ATOM 0 HB3 ASP A 71 -5.789 4.104 12.101 1.00 0.51 H new ATOM 828 N ASP A 72 -4.581 6.954 12.768 1.00 0.43 N ATOM 829 CA ASP A 72 -4.277 8.125 11.948 1.00 0.42 C ATOM 830 C ASP A 72 -3.211 7.748 10.926 1.00 0.42 C ATOM 831 O ASP A 72 -2.041 7.571 11.275 1.00 0.52 O ATOM 832 CB ASP A 72 -3.783 9.283 12.829 1.00 0.48 C ATOM 833 CG ASP A 72 -3.683 10.611 12.095 1.00 0.59 C ATOM 834 OD1 ASP A 72 -3.051 10.668 11.013 1.00 1.05 O ATOM 835 OD2 ASP A 72 -4.213 11.618 12.614 1.00 0.99 O ATOM 0 H ASP A 72 -3.756 6.479 13.133 1.00 0.43 H new ATOM 0 HA ASP A 72 -5.180 8.453 11.433 1.00 0.42 H new ATOM 0 HB2 ASP A 72 -4.459 9.397 13.677 1.00 0.48 H new ATOM 0 HB3 ASP A 72 -2.804 9.027 13.234 1.00 0.48 H new ATOM 840 N LEU A 73 -3.610 7.605 9.675 1.00 0.36 N ATOM 841 CA LEU A 73 -2.672 7.221 8.632 1.00 0.38 C ATOM 842 C LEU A 73 -2.548 8.294 7.560 1.00 0.34 C ATOM 843 O LEU A 73 -3.509 9.005 7.260 1.00 0.42 O ATOM 844 CB LEU A 73 -3.117 5.910 7.981 1.00 0.44 C ATOM 845 CG LEU A 73 -3.260 4.722 8.931 1.00 0.66 C ATOM 846 CD1 LEU A 73 -3.851 3.531 8.198 1.00 0.93 C ATOM 847 CD2 LEU A 73 -1.916 4.358 9.544 1.00 0.92 C ATOM 0 H LEU A 73 -4.569 7.747 9.357 1.00 0.36 H new ATOM 0 HA LEU A 73 -1.697 7.093 9.103 1.00 0.38 H new ATOM 0 HB2 LEU A 73 -4.074 6.076 7.487 1.00 0.44 H new ATOM 0 HB3 LEU A 73 -2.399 5.648 7.204 1.00 0.44 H new ATOM 0 HG LEU A 73 -3.936 5.005 9.738 1.00 0.66 H new ATOM 0 HD11 LEU A 73 -3.948 2.691 8.886 1.00 0.93 H new ATOM 0 HD12 LEU A 73 -4.834 3.795 7.808 1.00 0.93 H new ATOM 0 HD13 LEU A 73 -3.196 3.250 7.373 1.00 0.93 H new ATOM 0 HD21 LEU A 73 -2.041 3.510 10.217 1.00 0.92 H new ATOM 0 HD22 LEU A 73 -1.215 4.093 8.753 1.00 0.92 H new ATOM 0 HD23 LEU A 73 -1.528 5.210 10.102 1.00 0.92 H new ATOM 859 N ILE A 74 -1.353 8.396 6.992 1.00 0.29 N ATOM 860 CA ILE A 74 -1.082 9.348 5.925 1.00 0.28 C ATOM 861 C ILE A 74 -1.258 8.650 4.582 1.00 0.30 C ATOM 862 O ILE A 74 -0.499 7.744 4.233 1.00 0.51 O ATOM 863 CB ILE A 74 0.345 9.932 6.025 1.00 0.30 C ATOM 864 CG1 ILE A 74 0.714 10.208 7.487 1.00 0.43 C ATOM 865 CG2 ILE A 74 0.440 11.213 5.211 1.00 0.33 C ATOM 866 CD1 ILE A 74 2.189 10.478 7.701 1.00 0.59 C ATOM 0 H ILE A 74 -0.550 7.825 7.256 1.00 0.29 H new ATOM 0 HA ILE A 74 -1.784 10.177 6.019 1.00 0.28 H new ATOM 0 HB ILE A 74 1.048 9.202 5.624 1.00 0.30 H new ATOM 0 HG12 ILE A 74 0.141 11.065 7.842 1.00 0.43 H new ATOM 0 HG13 ILE A 74 0.418 9.353 8.095 1.00 0.43 H new ATOM 0 HG21 ILE A 74 1.449 11.618 5.287 1.00 0.33 H new ATOM 0 HG22 ILE A 74 0.213 10.998 4.167 1.00 0.33 H new ATOM 0 HG23 ILE A 74 -0.274 11.942 5.595 1.00 0.33 H new ATOM 0 HD11 ILE A 74 2.375 10.665 8.759 1.00 0.59 H new ATOM 0 HD12 ILE A 74 2.768 9.613 7.378 1.00 0.59 H new ATOM 0 HD13 ILE A 74 2.487 11.351 7.121 1.00 0.59 H new ATOM 878 N ILE A 75 -2.267 9.066 3.842 1.00 0.24 N ATOM 879 CA ILE A 75 -2.585 8.463 2.558 1.00 0.23 C ATOM 880 C ILE A 75 -1.865 9.156 1.404 1.00 0.24 C ATOM 881 O ILE A 75 -1.692 10.377 1.405 1.00 0.26 O ATOM 882 CB ILE A 75 -4.107 8.492 2.310 1.00 0.27 C ATOM 883 CG1 ILE A 75 -4.851 7.782 3.444 1.00 0.28 C ATOM 884 CG2 ILE A 75 -4.449 7.858 0.974 1.00 0.32 C ATOM 885 CD1 ILE A 75 -4.451 6.334 3.636 1.00 0.31 C ATOM 0 H ILE A 75 -2.889 9.829 4.111 1.00 0.24 H new ATOM 0 HA ILE A 75 -2.240 7.430 2.597 1.00 0.23 H new ATOM 0 HB ILE A 75 -4.426 9.534 2.285 1.00 0.27 H new ATOM 0 HG12 ILE A 75 -4.675 8.323 4.374 1.00 0.28 H new ATOM 0 HG13 ILE A 75 -5.922 7.829 3.246 1.00 0.28 H new ATOM 0 HG21 ILE A 75 -5.528 7.890 0.822 1.00 0.32 H new ATOM 0 HG22 ILE A 75 -3.953 8.406 0.173 1.00 0.32 H new ATOM 0 HG23 ILE A 75 -4.112 6.821 0.966 1.00 0.32 H new ATOM 0 HD11 ILE A 75 -5.024 5.904 4.458 1.00 0.31 H new ATOM 0 HD12 ILE A 75 -4.654 5.776 2.722 1.00 0.31 H new ATOM 0 HD13 ILE A 75 -3.387 6.278 3.867 1.00 0.31 H new ATOM 897 N PHE A 76 -1.445 8.355 0.429 1.00 0.27 N ATOM 898 CA PHE A 76 -0.756 8.852 -0.751 1.00 0.31 C ATOM 899 C PHE A 76 -1.347 8.198 -1.999 1.00 0.32 C ATOM 900 O PHE A 76 -1.927 7.114 -1.917 1.00 0.35 O ATOM 901 CB PHE A 76 0.745 8.558 -0.659 1.00 0.34 C ATOM 902 CG PHE A 76 1.422 9.253 0.487 1.00 0.39 C ATOM 903 CD1 PHE A 76 1.929 10.533 0.340 1.00 0.50 C ATOM 904 CD2 PHE A 76 1.545 8.622 1.710 1.00 0.40 C ATOM 905 CE1 PHE A 76 2.548 11.168 1.397 1.00 0.58 C ATOM 906 CE2 PHE A 76 2.164 9.248 2.770 1.00 0.50 C ATOM 907 CZ PHE A 76 2.668 10.525 2.614 1.00 0.58 C ATOM 0 H PHE A 76 -1.574 7.343 0.438 1.00 0.27 H new ATOM 0 HA PHE A 76 -0.890 9.932 -0.813 1.00 0.31 H new ATOM 0 HB2 PHE A 76 0.891 7.482 -0.559 1.00 0.34 H new ATOM 0 HB3 PHE A 76 1.224 8.859 -1.591 1.00 0.34 H new ATOM 0 HD1 PHE A 76 1.839 11.039 -0.610 1.00 0.50 H new ATOM 0 HD2 PHE A 76 1.151 7.625 1.837 1.00 0.40 H new ATOM 0 HE1 PHE A 76 2.939 12.167 1.273 1.00 0.58 H new ATOM 0 HE2 PHE A 76 2.255 8.742 3.720 1.00 0.50 H new ATOM 0 HZ PHE A 76 3.155 11.020 3.442 1.00 0.58 H new ATOM 917 N PRO A 77 -1.218 8.846 -3.164 1.00 0.36 N ATOM 918 CA PRO A 77 -1.746 8.320 -4.425 1.00 0.38 C ATOM 919 C PRO A 77 -0.985 7.096 -4.935 1.00 0.33 C ATOM 920 O PRO A 77 0.120 6.798 -4.477 1.00 0.33 O ATOM 921 CB PRO A 77 -1.578 9.486 -5.410 1.00 0.45 C ATOM 922 CG PRO A 77 -1.233 10.676 -4.586 1.00 0.55 C ATOM 923 CD PRO A 77 -0.562 10.148 -3.354 1.00 0.44 C ATOM 0 HA PRO A 77 -2.775 7.982 -4.304 1.00 0.38 H new ATOM 0 HB2 PRO A 77 -0.793 9.273 -6.135 1.00 0.45 H new ATOM 0 HB3 PRO A 77 -2.495 9.655 -5.974 1.00 0.45 H new ATOM 0 HG2 PRO A 77 -0.572 11.349 -5.132 1.00 0.55 H new ATOM 0 HG3 PRO A 77 -2.127 11.245 -4.330 1.00 0.55 H new ATOM 0 HD2 PRO A 77 0.514 10.043 -3.492 1.00 0.44 H new ATOM 0 HD3 PRO A 77 -0.711 10.806 -2.498 1.00 0.44 H new ATOM 931 N ASP A 78 -1.610 6.398 -5.892 1.00 0.40 N ATOM 932 CA ASP A 78 -1.049 5.195 -6.536 1.00 0.46 C ATOM 933 C ASP A 78 -0.668 4.117 -5.520 1.00 0.45 C ATOM 934 O ASP A 78 0.149 3.246 -5.817 1.00 0.60 O ATOM 935 CB ASP A 78 0.178 5.516 -7.432 1.00 0.53 C ATOM 936 CG ASP A 78 0.401 6.993 -7.689 1.00 0.98 C ATOM 937 OD1 ASP A 78 -0.443 7.627 -8.366 1.00 1.34 O ATOM 938 OD2 ASP A 78 1.437 7.528 -7.226 1.00 1.36 O ATOM 0 H ASP A 78 -2.531 6.653 -6.248 1.00 0.40 H new ATOM 0 HA ASP A 78 -1.847 4.811 -7.171 1.00 0.46 H new ATOM 0 HB2 ASP A 78 1.071 5.103 -6.964 1.00 0.53 H new ATOM 0 HB3 ASP A 78 0.056 5.008 -8.389 1.00 0.53 H new ATOM 943 N ASP A 79 -1.251 4.155 -4.327 1.00 0.53 N ATOM 944 CA ASP A 79 -0.918 3.158 -3.311 1.00 0.61 C ATOM 945 C ASP A 79 -2.066 2.913 -2.338 1.00 0.59 C ATOM 946 O ASP A 79 -1.860 2.416 -1.233 1.00 1.11 O ATOM 947 CB ASP A 79 0.326 3.591 -2.539 1.00 0.80 C ATOM 948 CG ASP A 79 1.224 2.419 -2.219 1.00 1.12 C ATOM 949 OD1 ASP A 79 0.935 1.691 -1.250 1.00 1.74 O ATOM 950 OD2 ASP A 79 2.223 2.220 -2.952 1.00 1.44 O ATOM 0 H ASP A 79 -1.942 4.849 -4.041 1.00 0.53 H new ATOM 0 HA ASP A 79 -0.725 2.221 -3.833 1.00 0.61 H new ATOM 0 HB2 ASP A 79 0.880 4.324 -3.125 1.00 0.80 H new ATOM 0 HB3 ASP A 79 0.027 4.083 -1.613 1.00 0.80 H new ATOM 955 N CYS A 80 -3.277 3.213 -2.769 1.00 0.50 N ATOM 956 CA CYS A 80 -4.445 3.040 -1.918 1.00 0.46 C ATOM 957 C CYS A 80 -5.631 2.498 -2.707 1.00 0.43 C ATOM 958 O CYS A 80 -5.871 2.910 -3.846 1.00 0.60 O ATOM 959 CB CYS A 80 -4.806 4.367 -1.256 1.00 0.63 C ATOM 960 SG CYS A 80 -3.454 5.080 -0.292 1.00 0.90 S ATOM 0 H CYS A 80 -3.480 3.577 -3.700 1.00 0.50 H new ATOM 0 HA CYS A 80 -4.200 2.310 -1.146 1.00 0.46 H new ATOM 0 HB2 CYS A 80 -5.108 5.078 -2.025 1.00 0.63 H new ATOM 0 HB3 CYS A 80 -5.667 4.217 -0.605 1.00 0.63 H new ATOM 0 HG CYS A 80 -2.726 5.836 -1.059 1.00 0.90 H new ATOM 966 N GLU A 81 -6.362 1.573 -2.095 1.00 0.34 N ATOM 967 CA GLU A 81 -7.523 0.960 -2.727 1.00 0.39 C ATOM 968 C GLU A 81 -8.602 0.658 -1.687 1.00 0.36 C ATOM 969 O GLU A 81 -8.397 -0.152 -0.779 1.00 0.45 O ATOM 970 CB GLU A 81 -7.110 -0.327 -3.448 1.00 0.49 C ATOM 971 CG GLU A 81 -8.165 -0.868 -4.400 1.00 0.74 C ATOM 972 CD GLU A 81 -7.740 -2.163 -5.067 1.00 0.94 C ATOM 973 OE1 GLU A 81 -6.528 -2.460 -5.089 1.00 1.32 O ATOM 974 OE2 GLU A 81 -8.621 -2.895 -5.566 1.00 1.15 O ATOM 0 H GLU A 81 -6.168 1.229 -1.154 1.00 0.34 H new ATOM 0 HA GLU A 81 -7.932 1.659 -3.456 1.00 0.39 H new ATOM 0 HB2 GLU A 81 -6.193 -0.140 -4.007 1.00 0.49 H new ATOM 0 HB3 GLU A 81 -6.881 -1.090 -2.704 1.00 0.49 H new ATOM 0 HG2 GLU A 81 -9.093 -1.033 -3.852 1.00 0.74 H new ATOM 0 HG3 GLU A 81 -8.375 -0.121 -5.166 1.00 0.74 H new ATOM 981 N PHE A 82 -9.741 1.326 -1.817 1.00 0.34 N ATOM 982 CA PHE A 82 -10.861 1.132 -0.906 1.00 0.32 C ATOM 983 C PHE A 82 -12.027 0.494 -1.657 1.00 0.33 C ATOM 984 O PHE A 82 -12.631 1.119 -2.530 1.00 0.42 O ATOM 985 CB PHE A 82 -11.279 2.480 -0.300 1.00 0.35 C ATOM 986 CG PHE A 82 -12.321 2.380 0.783 1.00 0.34 C ATOM 987 CD1 PHE A 82 -12.087 1.633 1.924 1.00 0.43 C ATOM 988 CD2 PHE A 82 -13.530 3.045 0.660 1.00 0.44 C ATOM 989 CE1 PHE A 82 -13.036 1.549 2.923 1.00 0.48 C ATOM 990 CE2 PHE A 82 -14.485 2.965 1.654 1.00 0.47 C ATOM 991 CZ PHE A 82 -14.238 2.216 2.788 1.00 0.43 C ATOM 0 H PHE A 82 -9.914 2.013 -2.551 1.00 0.34 H new ATOM 0 HA PHE A 82 -10.562 0.467 -0.096 1.00 0.32 H new ATOM 0 HB2 PHE A 82 -10.395 2.971 0.108 1.00 0.35 H new ATOM 0 HB3 PHE A 82 -11.660 3.120 -1.096 1.00 0.35 H new ATOM 0 HD1 PHE A 82 -11.149 1.109 2.034 1.00 0.43 H new ATOM 0 HD2 PHE A 82 -13.728 3.633 -0.224 1.00 0.44 H new ATOM 0 HE1 PHE A 82 -12.839 0.963 3.808 1.00 0.48 H new ATOM 0 HE2 PHE A 82 -15.424 3.487 1.545 1.00 0.47 H new ATOM 0 HZ PHE A 82 -14.983 2.152 3.567 1.00 0.43 H new ATOM 1001 N LYS A 83 -12.336 -0.755 -1.332 1.00 0.34 N ATOM 1002 CA LYS A 83 -13.419 -1.462 -2.006 1.00 0.38 C ATOM 1003 C LYS A 83 -14.282 -2.238 -1.016 1.00 0.37 C ATOM 1004 O LYS A 83 -13.989 -2.283 0.178 1.00 0.38 O ATOM 1005 CB LYS A 83 -12.855 -2.407 -3.072 1.00 0.46 C ATOM 1006 CG LYS A 83 -11.765 -3.335 -2.562 1.00 0.53 C ATOM 1007 CD LYS A 83 -11.074 -4.054 -3.706 1.00 0.69 C ATOM 1008 CE LYS A 83 -9.888 -4.871 -3.215 1.00 1.06 C ATOM 1009 NZ LYS A 83 -8.985 -5.246 -4.332 1.00 1.44 N ATOM 0 H LYS A 83 -11.857 -1.296 -0.612 1.00 0.34 H new ATOM 0 HA LYS A 83 -14.052 -0.718 -2.489 1.00 0.38 H new ATOM 0 HB2 LYS A 83 -13.669 -3.008 -3.477 1.00 0.46 H new ATOM 0 HB3 LYS A 83 -12.457 -1.813 -3.895 1.00 0.46 H new ATOM 0 HG2 LYS A 83 -11.032 -2.761 -1.994 1.00 0.53 H new ATOM 0 HG3 LYS A 83 -12.197 -4.066 -1.878 1.00 0.53 H new ATOM 0 HD2 LYS A 83 -11.786 -4.709 -4.208 1.00 0.69 H new ATOM 0 HD3 LYS A 83 -10.736 -3.326 -4.443 1.00 0.69 H new ATOM 0 HE2 LYS A 83 -9.332 -4.297 -2.473 1.00 1.06 H new ATOM 0 HE3 LYS A 83 -10.247 -5.772 -2.718 1.00 1.06 H new ATOM 0 HZ1 LYS A 83 -8.069 -5.556 -3.949 1.00 1.44 H new ATOM 0 HZ2 LYS A 83 -9.412 -6.021 -4.879 1.00 1.44 H new ATOM 0 HZ3 LYS A 83 -8.840 -4.424 -4.952 1.00 1.44 H new ATOM 1023 N ARG A 84 -15.348 -2.847 -1.524 1.00 0.42 N ATOM 1024 CA ARG A 84 -16.267 -3.615 -0.695 1.00 0.43 C ATOM 1025 C ARG A 84 -15.980 -5.111 -0.795 1.00 0.44 C ATOM 1026 O ARG A 84 -15.534 -5.597 -1.835 1.00 0.49 O ATOM 1027 CB ARG A 84 -17.712 -3.336 -1.123 1.00 0.47 C ATOM 1028 CG ARG A 84 -18.755 -3.999 -0.236 1.00 0.57 C ATOM 1029 CD ARG A 84 -20.154 -3.860 -0.812 1.00 0.61 C ATOM 1030 NE ARG A 84 -20.384 -4.776 -1.934 1.00 0.71 N ATOM 1031 CZ ARG A 84 -21.541 -5.408 -2.159 1.00 0.78 C ATOM 1032 NH1 ARG A 84 -22.569 -5.231 -1.339 1.00 0.88 N ATOM 1033 NH2 ARG A 84 -21.669 -6.209 -3.210 1.00 0.96 N ATOM 0 H ARG A 84 -15.597 -2.822 -2.513 1.00 0.42 H new ATOM 0 HA ARG A 84 -16.127 -3.308 0.341 1.00 0.43 H new ATOM 0 HB2 ARG A 84 -17.880 -2.259 -1.122 1.00 0.47 H new ATOM 0 HB3 ARG A 84 -17.850 -3.679 -2.148 1.00 0.47 H new ATOM 0 HG2 ARG A 84 -18.514 -5.055 -0.118 1.00 0.57 H new ATOM 0 HG3 ARG A 84 -18.725 -3.552 0.758 1.00 0.57 H new ATOM 0 HD2 ARG A 84 -20.888 -4.054 -0.030 1.00 0.61 H new ATOM 0 HD3 ARG A 84 -20.308 -2.834 -1.146 1.00 0.61 H new ATOM 0 HE ARG A 84 -19.614 -4.941 -2.583 1.00 0.71 H new ATOM 0 HH11 ARG A 84 -22.478 -4.611 -0.534 1.00 0.88 H new ATOM 0 HH12 ARG A 84 -23.450 -5.715 -1.514 1.00 0.88 H new ATOM 0 HH21 ARG A 84 -20.884 -6.343 -3.847 1.00 0.96 H new ATOM 0 HH22 ARG A 84 -22.552 -6.690 -3.380 1.00 0.96 H new ATOM 1047 N VAL A 85 -16.225 -5.832 0.294 1.00 0.45 N ATOM 1048 CA VAL A 85 -16.014 -7.269 0.326 1.00 0.49 C ATOM 1049 C VAL A 85 -17.305 -7.984 -0.063 1.00 0.55 C ATOM 1050 O VAL A 85 -18.262 -8.009 0.711 1.00 0.59 O ATOM 1051 CB VAL A 85 -15.565 -7.746 1.725 1.00 0.52 C ATOM 1052 CG1 VAL A 85 -15.133 -9.207 1.691 1.00 0.61 C ATOM 1053 CG2 VAL A 85 -14.449 -6.865 2.261 1.00 0.50 C ATOM 0 H VAL A 85 -16.572 -5.439 1.169 1.00 0.45 H new ATOM 0 HA VAL A 85 -15.223 -7.508 -0.384 1.00 0.49 H new ATOM 0 HB VAL A 85 -16.417 -7.664 2.399 1.00 0.52 H new ATOM 0 HG11 VAL A 85 -14.822 -9.518 2.688 1.00 0.61 H new ATOM 0 HG12 VAL A 85 -15.968 -9.826 1.362 1.00 0.61 H new ATOM 0 HG13 VAL A 85 -14.300 -9.324 0.998 1.00 0.61 H new ATOM 0 HG21 VAL A 85 -14.148 -7.219 3.247 1.00 0.50 H new ATOM 0 HG22 VAL A 85 -13.595 -6.907 1.584 1.00 0.50 H new ATOM 0 HG23 VAL A 85 -14.802 -5.836 2.337 1.00 0.50 H new ATOM 1063 N PRO A 86 -17.346 -8.586 -1.262 1.00 0.61 N ATOM 1064 CA PRO A 86 -18.535 -9.284 -1.757 1.00 0.69 C ATOM 1065 C PRO A 86 -18.660 -10.709 -1.228 1.00 0.68 C ATOM 1066 O PRO A 86 -19.499 -11.482 -1.692 1.00 0.77 O ATOM 1067 CB PRO A 86 -18.308 -9.296 -3.263 1.00 0.81 C ATOM 1068 CG PRO A 86 -16.828 -9.335 -3.433 1.00 0.80 C ATOM 1069 CD PRO A 86 -16.235 -8.637 -2.238 1.00 0.64 C ATOM 0 HA PRO A 86 -19.456 -8.796 -1.438 1.00 0.69 H new ATOM 0 HB2 PRO A 86 -18.781 -10.162 -3.726 1.00 0.81 H new ATOM 0 HB3 PRO A 86 -18.735 -8.410 -3.733 1.00 0.81 H new ATOM 0 HG2 PRO A 86 -16.473 -10.364 -3.496 1.00 0.80 H new ATOM 0 HG3 PRO A 86 -16.532 -8.839 -4.357 1.00 0.80 H new ATOM 0 HD2 PRO A 86 -15.380 -9.184 -1.841 1.00 0.64 H new ATOM 0 HD3 PRO A 86 -15.883 -7.638 -2.494 1.00 0.64 H new ATOM 1077 N GLN A 87 -17.820 -11.052 -0.259 1.00 0.67 N ATOM 1078 CA GLN A 87 -17.836 -12.383 0.332 1.00 0.70 C ATOM 1079 C GLN A 87 -18.445 -12.352 1.728 1.00 0.70 C ATOM 1080 O GLN A 87 -18.509 -13.374 2.416 1.00 1.01 O ATOM 1081 CB GLN A 87 -16.420 -12.958 0.391 1.00 0.78 C ATOM 1082 CG GLN A 87 -15.850 -13.323 -0.970 1.00 0.91 C ATOM 1083 CD GLN A 87 -16.702 -14.339 -1.703 1.00 1.00 C ATOM 1084 OE1 GLN A 87 -17.572 -13.983 -2.500 1.00 1.05 O ATOM 1085 NE2 GLN A 87 -16.462 -15.609 -1.431 1.00 1.21 N ATOM 0 H GLN A 87 -17.118 -10.425 0.134 1.00 0.67 H new ATOM 0 HA GLN A 87 -18.452 -13.024 -0.298 1.00 0.70 H new ATOM 0 HB2 GLN A 87 -15.762 -12.231 0.867 1.00 0.78 H new ATOM 0 HB3 GLN A 87 -16.424 -13.846 1.023 1.00 0.78 H new ATOM 0 HG2 GLN A 87 -15.762 -12.422 -1.577 1.00 0.91 H new ATOM 0 HG3 GLN A 87 -14.843 -13.721 -0.844 1.00 0.91 H new ATOM 0 HE21 GLN A 87 -15.732 -15.859 -0.764 1.00 1.21 H new ATOM 0 HE22 GLN A 87 -17.007 -16.340 -1.888 1.00 1.21 H new ATOM 1094 N CYS A 88 -18.905 -11.178 2.136 1.00 0.73 N ATOM 1095 CA CYS A 88 -19.513 -11.010 3.447 1.00 0.71 C ATOM 1096 C CYS A 88 -21.034 -10.991 3.310 1.00 0.71 C ATOM 1097 O CYS A 88 -21.570 -10.311 2.436 1.00 0.74 O ATOM 1098 CB CYS A 88 -19.023 -9.718 4.106 1.00 0.73 C ATOM 1099 SG CYS A 88 -19.333 -9.634 5.884 1.00 1.44 S ATOM 0 H CYS A 88 -18.868 -10.326 1.576 1.00 0.73 H new ATOM 0 HA CYS A 88 -19.221 -11.848 4.081 1.00 0.71 H new ATOM 0 HB2 CYS A 88 -17.952 -9.616 3.929 1.00 0.73 H new ATOM 0 HB3 CYS A 88 -19.508 -8.870 3.623 1.00 0.73 H new ATOM 0 HG CYS A 88 -18.237 -9.304 6.500 1.00 1.44 H new ATOM 1105 N PRO A 89 -21.750 -11.735 4.174 1.00 0.75 N ATOM 1106 CA PRO A 89 -23.217 -11.822 4.129 1.00 0.79 C ATOM 1107 C PRO A 89 -23.913 -10.495 4.429 1.00 0.74 C ATOM 1108 O PRO A 89 -25.087 -10.317 4.097 1.00 0.79 O ATOM 1109 CB PRO A 89 -23.562 -12.854 5.211 1.00 0.88 C ATOM 1110 CG PRO A 89 -22.287 -13.545 5.535 1.00 0.92 C ATOM 1111 CD PRO A 89 -21.193 -12.555 5.265 1.00 0.81 C ATOM 0 HA PRO A 89 -23.557 -12.095 3.130 1.00 0.79 H new ATOM 0 HB2 PRO A 89 -23.979 -12.370 6.094 1.00 0.88 H new ATOM 0 HB3 PRO A 89 -24.310 -13.561 4.852 1.00 0.88 H new ATOM 0 HG2 PRO A 89 -22.272 -13.867 6.576 1.00 0.92 H new ATOM 0 HG3 PRO A 89 -22.163 -14.439 4.924 1.00 0.92 H new ATOM 0 HD2 PRO A 89 -20.966 -11.954 6.146 1.00 0.81 H new ATOM 0 HD3 PRO A 89 -20.267 -13.048 4.968 1.00 0.81 H new ATOM 1119 N SER A 90 -23.208 -9.571 5.066 1.00 0.71 N ATOM 1120 CA SER A 90 -23.787 -8.273 5.384 1.00 0.71 C ATOM 1121 C SER A 90 -23.798 -7.385 4.142 1.00 0.65 C ATOM 1122 O SER A 90 -24.713 -6.584 3.938 1.00 0.72 O ATOM 1123 CB SER A 90 -23.005 -7.606 6.514 1.00 0.75 C ATOM 1124 OG SER A 90 -21.619 -7.586 6.224 1.00 0.85 O ATOM 0 H SER A 90 -22.242 -9.694 5.371 1.00 0.71 H new ATOM 0 HA SER A 90 -24.815 -8.418 5.717 1.00 0.71 H new ATOM 0 HB2 SER A 90 -23.365 -6.588 6.660 1.00 0.75 H new ATOM 0 HB3 SER A 90 -23.178 -8.142 7.447 1.00 0.75 H new ATOM 0 HG SER A 90 -21.235 -8.470 6.401 1.00 0.85 H new ATOM 1130 N GLY A 91 -22.767 -7.538 3.319 1.00 0.60 N ATOM 1131 CA GLY A 91 -22.654 -6.775 2.090 1.00 0.60 C ATOM 1132 C GLY A 91 -22.360 -5.302 2.314 1.00 0.57 C ATOM 1133 O GLY A 91 -22.406 -4.512 1.375 1.00 0.64 O ATOM 0 H GLY A 91 -21.997 -8.186 3.485 1.00 0.60 H new ATOM 0 HA2 GLY A 91 -21.863 -7.206 1.476 1.00 0.60 H new ATOM 0 HA3 GLY A 91 -23.582 -6.870 1.526 1.00 0.60 H new ATOM 1137 N ARG A 92 -22.054 -4.929 3.551 1.00 0.52 N ATOM 1138 CA ARG A 92 -21.759 -3.535 3.872 1.00 0.51 C ATOM 1139 C ARG A 92 -20.381 -3.414 4.507 1.00 0.48 C ATOM 1140 O ARG A 92 -20.079 -2.433 5.191 1.00 0.48 O ATOM 1141 CB ARG A 92 -22.826 -2.956 4.804 1.00 0.54 C ATOM 1142 CG ARG A 92 -24.205 -2.875 4.172 1.00 0.58 C ATOM 1143 CD ARG A 92 -25.131 -1.968 4.964 1.00 0.61 C ATOM 1144 NE ARG A 92 -24.884 -0.551 4.691 1.00 0.59 N ATOM 1145 CZ ARG A 92 -25.377 0.445 5.424 1.00 0.59 C ATOM 1146 NH1 ARG A 92 -26.132 0.186 6.484 1.00 0.62 N ATOM 1147 NH2 ARG A 92 -25.134 1.704 5.085 1.00 0.60 N ATOM 0 H ARG A 92 -22.003 -5.567 4.345 1.00 0.52 H new ATOM 0 HA ARG A 92 -21.766 -2.963 2.944 1.00 0.51 H new ATOM 0 HB2 ARG A 92 -22.883 -3.569 5.703 1.00 0.54 H new ATOM 0 HB3 ARG A 92 -22.520 -1.958 5.118 1.00 0.54 H new ATOM 0 HG2 ARG A 92 -24.117 -2.504 3.151 1.00 0.58 H new ATOM 0 HG3 ARG A 92 -24.637 -3.874 4.111 1.00 0.58 H new ATOM 0 HD2 ARG A 92 -26.166 -2.208 4.722 1.00 0.61 H new ATOM 0 HD3 ARG A 92 -25.000 -2.159 6.029 1.00 0.61 H new ATOM 0 HE ARG A 92 -24.299 -0.312 3.891 1.00 0.59 H new ATOM 0 HH11 ARG A 92 -26.337 -0.780 6.740 1.00 0.62 H new ATOM 0 HH12 ARG A 92 -26.507 0.953 7.042 1.00 0.62 H new ATOM 0 HH21 ARG A 92 -24.569 1.910 4.262 1.00 0.60 H new ATOM 0 HH22 ARG A 92 -25.513 2.466 5.648 1.00 0.60 H new ATOM 1161 N VAL A 93 -19.555 -4.420 4.273 1.00 0.47 N ATOM 1162 CA VAL A 93 -18.203 -4.443 4.804 1.00 0.45 C ATOM 1163 C VAL A 93 -17.221 -3.997 3.732 1.00 0.41 C ATOM 1164 O VAL A 93 -17.136 -4.601 2.658 1.00 0.43 O ATOM 1165 CB VAL A 93 -17.822 -5.847 5.318 1.00 0.48 C ATOM 1166 CG1 VAL A 93 -16.338 -5.920 5.661 1.00 0.47 C ATOM 1167 CG2 VAL A 93 -18.669 -6.206 6.531 1.00 0.56 C ATOM 0 H VAL A 93 -19.800 -5.237 3.714 1.00 0.47 H new ATOM 0 HA VAL A 93 -18.160 -3.755 5.648 1.00 0.45 H new ATOM 0 HB VAL A 93 -18.018 -6.568 4.525 1.00 0.48 H new ATOM 0 HG11 VAL A 93 -16.096 -6.920 6.021 1.00 0.47 H new ATOM 0 HG12 VAL A 93 -15.748 -5.702 4.771 1.00 0.47 H new ATOM 0 HG13 VAL A 93 -16.108 -5.190 6.437 1.00 0.47 H new ATOM 0 HG21 VAL A 93 -18.393 -7.199 6.887 1.00 0.56 H new ATOM 0 HG22 VAL A 93 -18.498 -5.476 7.323 1.00 0.56 H new ATOM 0 HG23 VAL A 93 -19.723 -6.200 6.253 1.00 0.56 H new ATOM 1177 N TYR A 94 -16.505 -2.924 4.015 1.00 0.39 N ATOM 1178 CA TYR A 94 -15.532 -2.381 3.083 1.00 0.37 C ATOM 1179 C TYR A 94 -14.130 -2.574 3.641 1.00 0.35 C ATOM 1180 O TYR A 94 -13.960 -2.783 4.840 1.00 0.37 O ATOM 1181 CB TYR A 94 -15.820 -0.899 2.824 1.00 0.38 C ATOM 1182 CG TYR A 94 -17.071 -0.657 1.998 1.00 0.41 C ATOM 1183 CD1 TYR A 94 -18.337 -0.842 2.540 1.00 0.44 C ATOM 1184 CD2 TYR A 94 -16.981 -0.246 0.674 1.00 0.42 C ATOM 1185 CE1 TYR A 94 -19.475 -0.632 1.786 1.00 0.47 C ATOM 1186 CE2 TYR A 94 -18.116 -0.028 -0.087 1.00 0.46 C ATOM 1187 CZ TYR A 94 -19.359 -0.224 0.473 1.00 0.48 C ATOM 1188 OH TYR A 94 -20.494 -0.016 -0.280 1.00 0.53 O ATOM 0 H TYR A 94 -16.580 -2.407 4.891 1.00 0.39 H new ATOM 0 HA TYR A 94 -15.604 -2.910 2.133 1.00 0.37 H new ATOM 0 HB2 TYR A 94 -15.921 -0.385 3.780 1.00 0.38 H new ATOM 0 HB3 TYR A 94 -14.966 -0.456 2.312 1.00 0.38 H new ATOM 0 HD1 TYR A 94 -18.433 -1.156 3.569 1.00 0.44 H new ATOM 0 HD2 TYR A 94 -16.008 -0.094 0.231 1.00 0.42 H new ATOM 0 HE1 TYR A 94 -20.451 -0.786 2.222 1.00 0.47 H new ATOM 0 HE2 TYR A 94 -18.028 0.294 -1.114 1.00 0.46 H new ATOM 0 HH TYR A 94 -20.350 -0.354 -1.189 1.00 0.53 H new ATOM 1198 N VAL A 95 -13.128 -2.516 2.783 1.00 0.34 N ATOM 1199 CA VAL A 95 -11.761 -2.710 3.227 1.00 0.33 C ATOM 1200 C VAL A 95 -10.800 -1.715 2.578 1.00 0.31 C ATOM 1201 O VAL A 95 -10.810 -1.515 1.360 1.00 0.31 O ATOM 1202 CB VAL A 95 -11.279 -4.158 2.951 1.00 0.36 C ATOM 1203 CG1 VAL A 95 -11.462 -4.533 1.487 1.00 0.38 C ATOM 1204 CG2 VAL A 95 -9.827 -4.343 3.371 1.00 0.38 C ATOM 0 H VAL A 95 -13.233 -2.338 1.784 1.00 0.34 H new ATOM 0 HA VAL A 95 -11.758 -2.534 4.303 1.00 0.33 H new ATOM 0 HB VAL A 95 -11.896 -4.827 3.551 1.00 0.36 H new ATOM 0 HG11 VAL A 95 -11.115 -5.554 1.327 1.00 0.38 H new ATOM 0 HG12 VAL A 95 -12.517 -4.463 1.223 1.00 0.38 H new ATOM 0 HG13 VAL A 95 -10.885 -3.851 0.862 1.00 0.38 H new ATOM 0 HG21 VAL A 95 -9.517 -5.367 3.166 1.00 0.38 H new ATOM 0 HG22 VAL A 95 -9.196 -3.653 2.811 1.00 0.38 H new ATOM 0 HG23 VAL A 95 -9.728 -4.141 4.437 1.00 0.38 H new ATOM 1214 N LEU A 96 -9.996 -1.076 3.416 1.00 0.31 N ATOM 1215 CA LEU A 96 -8.992 -0.133 2.963 1.00 0.30 C ATOM 1216 C LEU A 96 -7.657 -0.859 2.901 1.00 0.30 C ATOM 1217 O LEU A 96 -7.065 -1.172 3.936 1.00 0.38 O ATOM 1218 CB LEU A 96 -8.902 1.061 3.918 1.00 0.34 C ATOM 1219 CG LEU A 96 -7.961 2.178 3.473 1.00 0.37 C ATOM 1220 CD1 LEU A 96 -8.623 3.044 2.412 1.00 0.43 C ATOM 1221 CD2 LEU A 96 -7.536 3.017 4.668 1.00 0.44 C ATOM 0 H LEU A 96 -10.024 -1.199 4.428 1.00 0.31 H new ATOM 0 HA LEU A 96 -9.260 0.250 1.978 1.00 0.30 H new ATOM 0 HB2 LEU A 96 -9.900 1.479 4.048 1.00 0.34 H new ATOM 0 HB3 LEU A 96 -8.578 0.701 4.895 1.00 0.34 H new ATOM 0 HG LEU A 96 -7.070 1.729 3.035 1.00 0.37 H new ATOM 0 HD11 LEU A 96 -7.937 3.834 2.107 1.00 0.43 H new ATOM 0 HD12 LEU A 96 -8.876 2.430 1.547 1.00 0.43 H new ATOM 0 HD13 LEU A 96 -9.531 3.489 2.820 1.00 0.43 H new ATOM 0 HD21 LEU A 96 -6.865 3.810 4.336 1.00 0.44 H new ATOM 0 HD22 LEU A 96 -8.417 3.459 5.134 1.00 0.44 H new ATOM 0 HD23 LEU A 96 -7.021 2.385 5.391 1.00 0.44 H new ATOM 1233 N LYS A 97 -7.204 -1.157 1.698 1.00 0.29 N ATOM 1234 CA LYS A 97 -5.956 -1.881 1.520 1.00 0.33 C ATOM 1235 C LYS A 97 -4.898 -1.020 0.849 1.00 0.26 C ATOM 1236 O LYS A 97 -5.191 -0.239 -0.059 1.00 0.32 O ATOM 1237 CB LYS A 97 -6.205 -3.138 0.680 1.00 0.45 C ATOM 1238 CG LYS A 97 -4.954 -3.964 0.412 1.00 0.51 C ATOM 1239 CD LYS A 97 -5.138 -4.876 -0.789 1.00 0.74 C ATOM 1240 CE LYS A 97 -3.904 -5.728 -1.043 1.00 0.80 C ATOM 1241 NZ LYS A 97 -2.744 -4.915 -1.492 1.00 0.89 N ATOM 0 H LYS A 97 -7.679 -0.910 0.830 1.00 0.29 H new ATOM 0 HA LYS A 97 -5.586 -2.159 2.507 1.00 0.33 H new ATOM 0 HB2 LYS A 97 -6.938 -3.763 1.190 1.00 0.45 H new ATOM 0 HB3 LYS A 97 -6.644 -2.844 -0.273 1.00 0.45 H new ATOM 0 HG2 LYS A 97 -4.107 -3.299 0.240 1.00 0.51 H new ATOM 0 HG3 LYS A 97 -4.716 -4.562 1.292 1.00 0.51 H new ATOM 0 HD2 LYS A 97 -6.000 -5.523 -0.626 1.00 0.74 H new ATOM 0 HD3 LYS A 97 -5.353 -4.275 -1.673 1.00 0.74 H new ATOM 0 HE2 LYS A 97 -3.640 -6.263 -0.131 1.00 0.80 H new ATOM 0 HE3 LYS A 97 -4.133 -6.480 -1.798 1.00 0.80 H new ATOM 0 HZ1 LYS A 97 -1.926 -5.537 -1.653 1.00 0.89 H new ATOM 0 HZ2 LYS A 97 -2.986 -4.424 -2.377 1.00 0.89 H new ATOM 0 HZ3 LYS A 97 -2.508 -4.214 -0.761 1.00 0.89 H new ATOM 1255 N PHE A 98 -3.670 -1.155 1.317 1.00 0.29 N ATOM 1256 CA PHE A 98 -2.555 -0.430 0.741 1.00 0.30 C ATOM 1257 C PHE A 98 -1.916 -1.294 -0.337 1.00 0.33 C ATOM 1258 O PHE A 98 -2.116 -2.511 -0.360 1.00 0.45 O ATOM 1259 CB PHE A 98 -1.534 -0.061 1.816 1.00 0.39 C ATOM 1260 CG PHE A 98 -1.986 1.063 2.706 1.00 0.44 C ATOM 1261 CD1 PHE A 98 -2.723 0.806 3.852 1.00 0.61 C ATOM 1262 CD2 PHE A 98 -1.675 2.377 2.394 1.00 0.57 C ATOM 1263 CE1 PHE A 98 -3.140 1.838 4.671 1.00 0.76 C ATOM 1264 CE2 PHE A 98 -2.090 3.413 3.209 1.00 0.72 C ATOM 1265 CZ PHE A 98 -2.823 3.142 4.350 1.00 0.77 C ATOM 0 H PHE A 98 -3.421 -1.763 2.097 1.00 0.29 H new ATOM 0 HA PHE A 98 -2.914 0.500 0.299 1.00 0.30 H new ATOM 0 HB2 PHE A 98 -1.328 -0.939 2.428 1.00 0.39 H new ATOM 0 HB3 PHE A 98 -0.597 0.220 1.336 1.00 0.39 H new ATOM 0 HD1 PHE A 98 -2.974 -0.213 4.108 1.00 0.61 H new ATOM 0 HD2 PHE A 98 -1.102 2.594 1.504 1.00 0.57 H new ATOM 0 HE1 PHE A 98 -3.713 1.624 5.561 1.00 0.76 H new ATOM 0 HE2 PHE A 98 -1.842 4.433 2.955 1.00 0.72 H new ATOM 0 HZ PHE A 98 -3.147 3.950 4.989 1.00 0.77 H new ATOM 1275 N LYS A 99 -1.160 -0.683 -1.233 1.00 0.40 N ATOM 1276 CA LYS A 99 -0.525 -1.436 -2.304 1.00 0.48 C ATOM 1277 C LYS A 99 0.921 -1.778 -1.955 1.00 0.54 C ATOM 1278 O LYS A 99 1.437 -2.824 -2.358 1.00 0.82 O ATOM 1279 CB LYS A 99 -0.577 -0.651 -3.617 1.00 0.54 C ATOM 1280 CG LYS A 99 -1.967 -0.145 -3.990 1.00 0.70 C ATOM 1281 CD LYS A 99 -2.718 -1.124 -4.879 1.00 0.73 C ATOM 1282 CE LYS A 99 -3.743 -0.403 -5.743 1.00 0.91 C ATOM 1283 NZ LYS A 99 -4.618 -1.343 -6.495 1.00 1.11 N ATOM 0 H LYS A 99 -0.972 0.319 -1.243 1.00 0.40 H new ATOM 0 HA LYS A 99 -1.076 -2.368 -2.428 1.00 0.48 H new ATOM 0 HB2 LYS A 99 0.100 0.200 -3.545 1.00 0.54 H new ATOM 0 HB3 LYS A 99 -0.206 -1.286 -4.422 1.00 0.54 H new ATOM 0 HG2 LYS A 99 -2.543 0.033 -3.082 1.00 0.70 H new ATOM 0 HG3 LYS A 99 -1.877 0.813 -4.503 1.00 0.70 H new ATOM 0 HD2 LYS A 99 -2.012 -1.658 -5.515 1.00 0.73 H new ATOM 0 HD3 LYS A 99 -3.218 -1.870 -4.262 1.00 0.73 H new ATOM 0 HE2 LYS A 99 -4.360 0.236 -5.112 1.00 0.91 H new ATOM 0 HE3 LYS A 99 -3.226 0.249 -6.447 1.00 0.91 H new ATOM 0 HZ1 LYS A 99 -5.330 -0.804 -7.028 1.00 1.11 H new ATOM 0 HZ2 LYS A 99 -4.041 -1.901 -7.156 1.00 1.11 H new ATOM 0 HZ3 LYS A 99 -5.095 -1.982 -5.828 1.00 1.11 H new ATOM 1297 N ALA A 100 1.570 -0.891 -1.212 1.00 0.55 N ATOM 1298 CA ALA A 100 2.958 -1.080 -0.814 1.00 0.63 C ATOM 1299 C ALA A 100 3.104 -2.147 0.266 1.00 0.62 C ATOM 1300 O ALA A 100 4.054 -2.932 0.243 1.00 1.36 O ATOM 1301 CB ALA A 100 3.546 0.234 -0.329 1.00 0.89 C ATOM 0 H ALA A 100 1.152 -0.026 -0.870 1.00 0.55 H new ATOM 0 HA ALA A 100 3.505 -1.424 -1.692 1.00 0.63 H new ATOM 0 HB1 ALA A 100 4.584 0.081 -0.034 1.00 0.89 H new ATOM 0 HB2 ALA A 100 3.501 0.971 -1.131 1.00 0.89 H new ATOM 0 HB3 ALA A 100 2.975 0.594 0.527 1.00 0.89 H new ATOM 1307 N GLY A 101 2.166 -2.180 1.203 1.00 0.78 N ATOM 1308 CA GLY A 101 2.240 -3.151 2.279 1.00 0.83 C ATOM 1309 C GLY A 101 1.064 -4.108 2.292 1.00 0.73 C ATOM 1310 O GLY A 101 0.261 -4.129 1.361 1.00 1.06 O ATOM 0 H GLY A 101 1.360 -1.556 1.239 1.00 0.78 H new ATOM 0 HA2 GLY A 101 3.164 -3.721 2.185 1.00 0.83 H new ATOM 0 HA3 GLY A 101 2.285 -2.626 3.233 1.00 0.83 H new ATOM 1314 N SER A 102 0.966 -4.901 3.352 1.00 0.51 N ATOM 1315 CA SER A 102 -0.110 -5.873 3.494 1.00 0.48 C ATOM 1316 C SER A 102 -1.196 -5.344 4.424 1.00 0.52 C ATOM 1317 O SER A 102 -2.122 -6.072 4.793 1.00 1.13 O ATOM 1318 CB SER A 102 0.448 -7.189 4.039 1.00 0.60 C ATOM 1319 OG SER A 102 1.252 -6.969 5.193 1.00 1.00 O ATOM 0 H SER A 102 1.624 -4.889 4.131 1.00 0.51 H new ATOM 0 HA SER A 102 -0.552 -6.047 2.513 1.00 0.48 H new ATOM 0 HB2 SER A 102 -0.374 -7.860 4.288 1.00 0.60 H new ATOM 0 HB3 SER A 102 1.040 -7.683 3.269 1.00 0.60 H new ATOM 0 HG SER A 102 1.594 -7.826 5.522 1.00 1.00 H new ATOM 1325 N LYS A 103 -1.064 -4.081 4.804 1.00 0.42 N ATOM 1326 CA LYS A 103 -2.013 -3.438 5.704 1.00 0.42 C ATOM 1327 C LYS A 103 -3.421 -3.419 5.115 1.00 0.39 C ATOM 1328 O LYS A 103 -3.650 -2.886 4.024 1.00 0.44 O ATOM 1329 CB LYS A 103 -1.554 -2.017 6.023 1.00 0.52 C ATOM 1330 CG LYS A 103 -2.359 -1.360 7.129 1.00 0.60 C ATOM 1331 CD LYS A 103 -1.693 -0.095 7.632 1.00 0.79 C ATOM 1332 CE LYS A 103 -2.266 0.329 8.974 1.00 0.93 C ATOM 1333 NZ LYS A 103 -2.089 -0.719 10.014 1.00 1.17 N ATOM 0 H LYS A 103 -0.301 -3.476 4.500 1.00 0.42 H new ATOM 0 HA LYS A 103 -2.047 -4.020 6.625 1.00 0.42 H new ATOM 0 HB2 LYS A 103 -0.503 -2.038 6.312 1.00 0.52 H new ATOM 0 HB3 LYS A 103 -1.625 -1.409 5.121 1.00 0.52 H new ATOM 0 HG2 LYS A 103 -3.358 -1.124 6.761 1.00 0.60 H new ATOM 0 HG3 LYS A 103 -2.481 -2.060 7.955 1.00 0.60 H new ATOM 0 HD2 LYS A 103 -0.620 -0.259 7.727 1.00 0.79 H new ATOM 0 HD3 LYS A 103 -1.830 0.706 6.905 1.00 0.79 H new ATOM 0 HE2 LYS A 103 -1.781 1.249 9.301 1.00 0.93 H new ATOM 0 HE3 LYS A 103 -3.327 0.551 8.861 1.00 0.93 H new ATOM 0 HZ1 LYS A 103 -1.752 -0.281 10.895 1.00 1.17 H new ATOM 0 HZ2 LYS A 103 -2.999 -1.192 10.189 1.00 1.17 H new ATOM 0 HZ3 LYS A 103 -1.393 -1.419 9.687 1.00 1.17 H new ATOM 1347 N ARG A 104 -4.352 -4.020 5.848 1.00 0.37 N ATOM 1348 CA ARG A 104 -5.749 -4.090 5.440 1.00 0.38 C ATOM 1349 C ARG A 104 -6.656 -3.673 6.590 1.00 0.37 C ATOM 1350 O ARG A 104 -6.696 -4.337 7.626 1.00 0.51 O ATOM 1351 CB ARG A 104 -6.114 -5.515 5.009 1.00 0.47 C ATOM 1352 CG ARG A 104 -5.418 -5.980 3.744 1.00 0.63 C ATOM 1353 CD ARG A 104 -5.523 -7.486 3.578 1.00 0.86 C ATOM 1354 NE ARG A 104 -5.020 -7.931 2.281 1.00 1.11 N ATOM 1355 CZ ARG A 104 -3.810 -8.457 2.088 1.00 1.40 C ATOM 1356 NH1 ARG A 104 -2.965 -8.607 3.103 1.00 1.85 N ATOM 1357 NH2 ARG A 104 -3.442 -8.825 0.871 1.00 1.70 N ATOM 0 H ARG A 104 -4.159 -4.472 6.742 1.00 0.37 H new ATOM 0 HA ARG A 104 -5.889 -3.412 4.598 1.00 0.38 H new ATOM 0 HB2 ARG A 104 -5.868 -6.202 5.819 1.00 0.47 H new ATOM 0 HB3 ARG A 104 -7.192 -5.572 4.859 1.00 0.47 H new ATOM 0 HG2 ARG A 104 -5.861 -5.485 2.880 1.00 0.63 H new ATOM 0 HG3 ARG A 104 -4.368 -5.688 3.775 1.00 0.63 H new ATOM 0 HD2 ARG A 104 -4.962 -7.978 4.372 1.00 0.86 H new ATOM 0 HD3 ARG A 104 -6.564 -7.791 3.687 1.00 0.86 H new ATOM 0 HE ARG A 104 -5.633 -7.833 1.472 1.00 1.11 H new ATOM 0 HH11 ARG A 104 -3.240 -8.318 4.042 1.00 1.85 H new ATOM 0 HH12 ARG A 104 -2.042 -9.011 2.943 1.00 1.85 H new ATOM 0 HH21 ARG A 104 -4.083 -8.706 0.086 1.00 1.70 H new ATOM 0 HH22 ARG A 104 -2.518 -9.228 0.718 1.00 1.70 H new ATOM 1371 N LEU A 105 -7.376 -2.578 6.410 1.00 0.33 N ATOM 1372 CA LEU A 105 -8.283 -2.086 7.437 1.00 0.34 C ATOM 1373 C LEU A 105 -9.728 -2.298 7.016 1.00 0.33 C ATOM 1374 O LEU A 105 -10.194 -1.696 6.051 1.00 0.39 O ATOM 1375 CB LEU A 105 -8.029 -0.603 7.706 1.00 0.37 C ATOM 1376 CG LEU A 105 -6.896 -0.297 8.689 1.00 0.50 C ATOM 1377 CD1 LEU A 105 -6.551 1.181 8.656 1.00 0.70 C ATOM 1378 CD2 LEU A 105 -7.284 -0.713 10.102 1.00 0.82 C ATOM 0 H LEU A 105 -7.351 -2.012 5.562 1.00 0.33 H new ATOM 0 HA LEU A 105 -8.099 -2.646 8.354 1.00 0.34 H new ATOM 0 HB2 LEU A 105 -7.807 -0.112 6.758 1.00 0.37 H new ATOM 0 HB3 LEU A 105 -8.948 -0.158 8.088 1.00 0.37 H new ATOM 0 HG LEU A 105 -6.019 -0.869 8.387 1.00 0.50 H new ATOM 0 HD11 LEU A 105 -5.744 1.382 9.360 1.00 0.70 H new ATOM 0 HD12 LEU A 105 -6.233 1.458 7.651 1.00 0.70 H new ATOM 0 HD13 LEU A 105 -7.428 1.766 8.933 1.00 0.70 H new ATOM 0 HD21 LEU A 105 -6.465 -0.487 10.785 1.00 0.82 H new ATOM 0 HD22 LEU A 105 -8.175 -0.167 10.410 1.00 0.82 H new ATOM 0 HD23 LEU A 105 -7.489 -1.783 10.123 1.00 0.82 H new ATOM 1390 N PHE A 106 -10.430 -3.165 7.730 1.00 0.34 N ATOM 1391 CA PHE A 106 -11.825 -3.457 7.422 1.00 0.34 C ATOM 1392 C PHE A 106 -12.755 -2.512 8.180 1.00 0.35 C ATOM 1393 O PHE A 106 -12.562 -2.255 9.372 1.00 0.37 O ATOM 1394 CB PHE A 106 -12.159 -4.911 7.772 1.00 0.38 C ATOM 1395 CG PHE A 106 -11.660 -5.916 6.773 1.00 0.40 C ATOM 1396 CD1 PHE A 106 -10.315 -6.238 6.704 1.00 0.46 C ATOM 1397 CD2 PHE A 106 -12.538 -6.539 5.904 1.00 0.44 C ATOM 1398 CE1 PHE A 106 -9.855 -7.164 5.786 1.00 0.52 C ATOM 1399 CE2 PHE A 106 -12.084 -7.466 4.984 1.00 0.50 C ATOM 1400 CZ PHE A 106 -10.741 -7.778 4.925 1.00 0.52 C ATOM 0 H PHE A 106 -10.058 -3.680 8.528 1.00 0.34 H new ATOM 0 HA PHE A 106 -11.973 -3.309 6.352 1.00 0.34 H new ATOM 0 HB2 PHE A 106 -11.734 -5.144 8.748 1.00 0.38 H new ATOM 0 HB3 PHE A 106 -13.241 -5.012 7.862 1.00 0.38 H new ATOM 0 HD1 PHE A 106 -9.617 -5.760 7.375 1.00 0.46 H new ATOM 0 HD2 PHE A 106 -13.590 -6.298 5.945 1.00 0.44 H new ATOM 0 HE1 PHE A 106 -8.803 -7.406 5.743 1.00 0.52 H new ATOM 0 HE2 PHE A 106 -12.780 -7.946 4.312 1.00 0.50 H new ATOM 0 HZ PHE A 106 -10.384 -8.501 4.206 1.00 0.52 H new ATOM 1410 N PHE A 107 -13.756 -1.999 7.481 1.00 0.35 N ATOM 1411 CA PHE A 107 -14.727 -1.084 8.068 1.00 0.37 C ATOM 1412 C PHE A 107 -16.136 -1.478 7.642 1.00 0.39 C ATOM 1413 O PHE A 107 -16.350 -1.898 6.505 1.00 0.48 O ATOM 1414 CB PHE A 107 -14.447 0.359 7.630 1.00 0.36 C ATOM 1415 CG PHE A 107 -13.119 0.896 8.083 1.00 0.35 C ATOM 1416 CD1 PHE A 107 -12.903 1.228 9.412 1.00 0.41 C ATOM 1417 CD2 PHE A 107 -12.084 1.068 7.178 1.00 0.38 C ATOM 1418 CE1 PHE A 107 -11.680 1.725 9.828 1.00 0.46 C ATOM 1419 CE2 PHE A 107 -10.861 1.564 7.588 1.00 0.43 C ATOM 1420 CZ PHE A 107 -10.659 1.893 8.915 1.00 0.46 C ATOM 0 H PHE A 107 -13.919 -2.203 6.495 1.00 0.35 H new ATOM 0 HA PHE A 107 -14.642 -1.145 9.153 1.00 0.37 H new ATOM 0 HB2 PHE A 107 -14.495 0.412 6.542 1.00 0.36 H new ATOM 0 HB3 PHE A 107 -15.237 1.003 8.016 1.00 0.36 H new ATOM 0 HD1 PHE A 107 -13.698 1.097 10.131 1.00 0.41 H new ATOM 0 HD2 PHE A 107 -12.235 0.811 6.140 1.00 0.38 H new ATOM 0 HE1 PHE A 107 -11.525 1.981 10.866 1.00 0.46 H new ATOM 0 HE2 PHE A 107 -10.063 1.694 6.872 1.00 0.43 H new ATOM 0 HZ PHE A 107 -9.704 2.281 9.237 1.00 0.46 H new ATOM 1430 N TRP A 108 -17.093 -1.353 8.547 1.00 0.41 N ATOM 1431 CA TRP A 108 -18.475 -1.690 8.228 1.00 0.43 C ATOM 1432 C TRP A 108 -19.359 -0.452 8.338 1.00 0.45 C ATOM 1433 O TRP A 108 -19.350 0.242 9.354 1.00 0.45 O ATOM 1434 CB TRP A 108 -18.997 -2.841 9.107 1.00 0.45 C ATOM 1435 CG TRP A 108 -18.906 -2.612 10.590 1.00 0.48 C ATOM 1436 CD1 TRP A 108 -17.786 -2.679 11.369 1.00 0.51 C ATOM 1437 CD2 TRP A 108 -19.991 -2.313 11.477 1.00 0.55 C ATOM 1438 NE1 TRP A 108 -18.108 -2.429 12.682 1.00 0.58 N ATOM 1439 CE2 TRP A 108 -19.456 -2.206 12.774 1.00 0.60 C ATOM 1440 CE3 TRP A 108 -21.367 -2.128 11.299 1.00 0.61 C ATOM 1441 CZ2 TRP A 108 -20.246 -1.911 13.883 1.00 0.70 C ATOM 1442 CZ3 TRP A 108 -22.150 -1.837 12.401 1.00 0.70 C ATOM 1443 CH2 TRP A 108 -21.588 -1.736 13.679 1.00 0.74 C ATOM 0 H TRP A 108 -16.943 -1.024 9.501 1.00 0.41 H new ATOM 0 HA TRP A 108 -18.510 -2.043 7.197 1.00 0.43 H new ATOM 0 HB2 TRP A 108 -20.039 -3.029 8.849 1.00 0.45 H new ATOM 0 HB3 TRP A 108 -18.440 -3.745 8.861 1.00 0.45 H new ATOM 0 HD1 TRP A 108 -16.792 -2.897 11.006 1.00 0.51 H new ATOM 0 HE1 TRP A 108 -17.450 -2.412 13.461 1.00 0.58 H new ATOM 0 HE3 TRP A 108 -21.810 -2.211 10.317 1.00 0.61 H new ATOM 0 HZ2 TRP A 108 -19.815 -1.823 14.869 1.00 0.70 H new ATOM 0 HZ3 TRP A 108 -23.212 -1.685 12.274 1.00 0.70 H new ATOM 0 HH2 TRP A 108 -22.227 -1.515 14.522 1.00 0.74 H new ATOM 1454 N MET A 109 -20.100 -0.178 7.271 1.00 0.46 N ATOM 1455 CA MET A 109 -20.980 0.988 7.198 1.00 0.48 C ATOM 1456 C MET A 109 -22.015 1.005 8.319 1.00 0.50 C ATOM 1457 O MET A 109 -22.708 0.016 8.557 1.00 0.51 O ATOM 1458 CB MET A 109 -21.698 1.025 5.845 1.00 0.50 C ATOM 1459 CG MET A 109 -20.785 1.346 4.673 1.00 0.50 C ATOM 1460 SD MET A 109 -20.253 3.070 4.645 1.00 0.58 S ATOM 1461 CE MET A 109 -19.317 3.101 3.119 1.00 0.60 C ATOM 0 H MET A 109 -20.110 -0.756 6.431 1.00 0.46 H new ATOM 0 HA MET A 109 -20.349 1.870 7.312 1.00 0.48 H new ATOM 0 HB2 MET A 109 -22.172 0.059 5.670 1.00 0.50 H new ATOM 0 HB3 MET A 109 -22.494 1.768 5.887 1.00 0.50 H new ATOM 0 HG2 MET A 109 -19.907 0.701 4.716 1.00 0.50 H new ATOM 0 HG3 MET A 109 -21.304 1.116 3.742 1.00 0.50 H new ATOM 0 HE1 MET A 109 -18.919 4.103 2.957 1.00 0.60 H new ATOM 0 HE2 MET A 109 -18.494 2.389 3.183 1.00 0.60 H new ATOM 0 HE3 MET A 109 -19.968 2.830 2.288 1.00 0.60 H new ATOM 1471 N GLN A 110 -22.111 2.140 8.999 1.00 0.51 N ATOM 1472 CA GLN A 110 -23.069 2.313 10.083 1.00 0.53 C ATOM 1473 C GLN A 110 -24.152 3.299 9.660 1.00 0.56 C ATOM 1474 O GLN A 110 -24.939 3.769 10.481 1.00 0.61 O ATOM 1475 CB GLN A 110 -22.372 2.812 11.349 1.00 0.53 C ATOM 1476 CG GLN A 110 -21.509 1.763 12.025 1.00 0.51 C ATOM 1477 CD GLN A 110 -20.760 2.300 13.229 1.00 0.52 C ATOM 1478 OE1 GLN A 110 -20.420 3.482 13.291 1.00 0.55 O ATOM 1479 NE2 GLN A 110 -20.505 1.436 14.195 1.00 0.53 N ATOM 0 H GLN A 110 -21.532 2.960 8.817 1.00 0.51 H new ATOM 0 HA GLN A 110 -23.525 1.347 10.302 1.00 0.53 H new ATOM 0 HB2 GLN A 110 -21.752 3.672 11.096 1.00 0.53 H new ATOM 0 HB3 GLN A 110 -23.126 3.159 12.055 1.00 0.53 H new ATOM 0 HG2 GLN A 110 -22.138 0.929 12.337 1.00 0.51 H new ATOM 0 HG3 GLN A 110 -20.793 1.370 11.304 1.00 0.51 H new ATOM 0 HE21 GLN A 110 -20.805 0.465 14.103 1.00 0.53 H new ATOM 0 HE22 GLN A 110 -20.009 1.740 15.033 1.00 0.53 H new ATOM 1488 N GLU A 111 -24.167 3.621 8.372 1.00 0.57 N ATOM 1489 CA GLU A 111 -25.152 4.538 7.819 1.00 0.60 C ATOM 1490 C GLU A 111 -26.517 3.862 7.759 1.00 0.63 C ATOM 1491 O GLU A 111 -26.611 2.670 7.466 1.00 0.64 O ATOM 1492 CB GLU A 111 -24.723 4.997 6.422 1.00 0.61 C ATOM 1493 CG GLU A 111 -23.556 5.975 6.432 1.00 0.62 C ATOM 1494 CD GLU A 111 -23.870 7.245 7.200 1.00 0.65 C ATOM 1495 OE1 GLU A 111 -24.981 7.789 7.032 1.00 0.73 O ATOM 1496 OE2 GLU A 111 -23.003 7.715 7.968 1.00 0.67 O ATOM 0 H GLU A 111 -23.503 3.257 7.689 1.00 0.57 H new ATOM 0 HA GLU A 111 -25.222 5.413 8.465 1.00 0.60 H new ATOM 0 HB2 GLU A 111 -24.449 4.124 5.830 1.00 0.61 H new ATOM 0 HB3 GLU A 111 -25.573 5.464 5.925 1.00 0.61 H new ATOM 0 HG2 GLU A 111 -22.685 5.492 6.875 1.00 0.62 H new ATOM 0 HG3 GLU A 111 -23.291 6.231 5.406 1.00 0.62 H new ATOM 1503 N PRO A 112 -27.593 4.612 8.049 1.00 0.67 N ATOM 1504 CA PRO A 112 -28.960 4.081 8.041 1.00 0.71 C ATOM 1505 C PRO A 112 -29.366 3.456 6.701 1.00 0.71 C ATOM 1506 O PRO A 112 -29.968 2.381 6.674 1.00 0.79 O ATOM 1507 CB PRO A 112 -29.837 5.300 8.357 1.00 0.77 C ATOM 1508 CG PRO A 112 -28.965 6.496 8.177 1.00 0.82 C ATOM 1509 CD PRO A 112 -27.559 6.035 8.427 1.00 0.71 C ATOM 0 HA PRO A 112 -29.064 3.268 8.760 1.00 0.71 H new ATOM 0 HB2 PRO A 112 -30.699 5.343 7.691 1.00 0.77 H new ATOM 0 HB3 PRO A 112 -30.223 5.249 9.375 1.00 0.77 H new ATOM 0 HG2 PRO A 112 -29.067 6.904 7.171 1.00 0.82 H new ATOM 0 HG3 PRO A 112 -29.244 7.288 8.872 1.00 0.82 H new ATOM 0 HD2 PRO A 112 -26.841 6.593 7.826 1.00 0.71 H new ATOM 0 HD3 PRO A 112 -27.273 6.167 9.470 1.00 0.71 H new ATOM 1517 N LYS A 113 -29.030 4.112 5.596 1.00 0.72 N ATOM 1518 CA LYS A 113 -29.391 3.606 4.277 1.00 0.75 C ATOM 1519 C LYS A 113 -28.163 3.191 3.476 1.00 0.69 C ATOM 1520 O LYS A 113 -27.092 3.785 3.595 1.00 0.70 O ATOM 1521 CB LYS A 113 -30.185 4.654 3.497 1.00 0.86 C ATOM 1522 CG LYS A 113 -31.661 4.694 3.854 1.00 0.99 C ATOM 1523 CD LYS A 113 -32.012 5.946 4.641 1.00 1.05 C ATOM 1524 CE LYS A 113 -33.515 6.089 4.824 1.00 1.11 C ATOM 1525 NZ LYS A 113 -33.871 7.348 5.530 1.00 1.51 N ATOM 0 H LYS A 113 -28.511 4.990 5.587 1.00 0.72 H new ATOM 0 HA LYS A 113 -30.011 2.723 4.430 1.00 0.75 H new ATOM 0 HB2 LYS A 113 -29.750 5.636 3.680 1.00 0.86 H new ATOM 0 HB3 LYS A 113 -30.084 4.454 2.430 1.00 0.86 H new ATOM 0 HG2 LYS A 113 -32.258 4.657 2.943 1.00 0.99 H new ATOM 0 HG3 LYS A 113 -31.919 3.811 4.439 1.00 0.99 H new ATOM 0 HD2 LYS A 113 -31.528 5.911 5.617 1.00 1.05 H new ATOM 0 HD3 LYS A 113 -31.623 6.823 4.124 1.00 1.05 H new ATOM 0 HE2 LYS A 113 -34.003 6.069 3.849 1.00 1.11 H new ATOM 0 HE3 LYS A 113 -33.895 5.237 5.388 1.00 1.11 H new ATOM 0 HZ1 LYS A 113 -34.904 7.407 5.635 1.00 1.51 H new ATOM 0 HZ2 LYS A 113 -33.427 7.356 6.470 1.00 1.51 H new ATOM 0 HZ3 LYS A 113 -33.532 8.163 4.980 1.00 1.51 H new ATOM 1539 N THR A 114 -28.345 2.175 2.644 1.00 0.69 N ATOM 1540 CA THR A 114 -27.282 1.654 1.794 1.00 0.66 C ATOM 1541 C THR A 114 -27.230 2.408 0.467 1.00 0.67 C ATOM 1542 O THR A 114 -26.567 1.985 -0.480 1.00 0.69 O ATOM 1543 CB THR A 114 -27.532 0.163 1.501 1.00 0.70 C ATOM 1544 OG1 THR A 114 -28.495 -0.357 2.424 1.00 0.90 O ATOM 1545 CG2 THR A 114 -26.248 -0.645 1.590 1.00 0.86 C ATOM 0 H THR A 114 -29.235 1.688 2.539 1.00 0.69 H new ATOM 0 HA THR A 114 -26.336 1.783 2.319 1.00 0.66 H new ATOM 0 HB THR A 114 -27.913 0.079 0.483 1.00 0.70 H new ATOM 0 HG1 THR A 114 -28.652 -1.305 2.233 1.00 0.90 H new ATOM 0 HG21 THR A 114 -26.462 -1.692 1.378 1.00 0.86 H new ATOM 0 HG22 THR A 114 -25.529 -0.267 0.863 1.00 0.86 H new ATOM 0 HG23 THR A 114 -25.831 -0.556 2.593 1.00 0.86 H new ATOM 1553 N ASP A 115 -27.930 3.534 0.413 1.00 0.69 N ATOM 1554 CA ASP A 115 -28.005 4.342 -0.797 1.00 0.72 C ATOM 1555 C ASP A 115 -26.735 5.150 -1.037 1.00 0.68 C ATOM 1556 O ASP A 115 -26.425 5.490 -2.174 1.00 0.72 O ATOM 1557 CB ASP A 115 -29.201 5.297 -0.727 1.00 0.79 C ATOM 1558 CG ASP A 115 -30.530 4.584 -0.856 1.00 0.94 C ATOM 1559 OD1 ASP A 115 -30.822 4.055 -1.948 1.00 1.19 O ATOM 1560 OD2 ASP A 115 -31.291 4.550 0.134 1.00 1.14 O ATOM 0 H ASP A 115 -28.458 3.911 1.200 1.00 0.69 H new ATOM 0 HA ASP A 115 -28.125 3.649 -1.629 1.00 0.72 H new ATOM 0 HB2 ASP A 115 -29.174 5.837 0.220 1.00 0.79 H new ATOM 0 HB3 ASP A 115 -29.114 6.040 -1.520 1.00 0.79 H new ATOM 1565 N GLN A 116 -26.000 5.454 0.021 1.00 0.66 N ATOM 1566 CA GLN A 116 -24.782 6.246 -0.117 1.00 0.64 C ATOM 1567 C GLN A 116 -23.537 5.425 0.182 1.00 0.60 C ATOM 1568 O GLN A 116 -22.447 5.975 0.345 1.00 0.59 O ATOM 1569 CB GLN A 116 -24.839 7.465 0.805 1.00 0.70 C ATOM 1570 CG GLN A 116 -25.848 8.512 0.365 1.00 0.77 C ATOM 1571 CD GLN A 116 -25.571 9.044 -1.029 1.00 0.83 C ATOM 1572 OE1 GLN A 116 -26.092 8.535 -2.022 1.00 0.90 O ATOM 1573 NE2 GLN A 116 -24.748 10.073 -1.111 1.00 0.92 N ATOM 0 H GLN A 116 -26.220 5.170 0.976 1.00 0.66 H new ATOM 0 HA GLN A 116 -24.720 6.577 -1.154 1.00 0.64 H new ATOM 0 HB2 GLN A 116 -25.086 7.136 1.814 1.00 0.70 H new ATOM 0 HB3 GLN A 116 -23.850 7.922 0.852 1.00 0.70 H new ATOM 0 HG2 GLN A 116 -26.849 8.080 0.392 1.00 0.77 H new ATOM 0 HG3 GLN A 116 -25.839 9.340 1.074 1.00 0.77 H new ATOM 0 HE21 GLN A 116 -24.337 10.466 -0.264 1.00 0.92 H new ATOM 0 HE22 GLN A 116 -24.523 10.475 -2.021 1.00 0.92 H new ATOM 1582 N ASP A 117 -23.694 4.113 0.236 1.00 0.59 N ATOM 1583 CA ASP A 117 -22.571 3.219 0.527 1.00 0.58 C ATOM 1584 C ASP A 117 -21.518 3.287 -0.575 1.00 0.55 C ATOM 1585 O ASP A 117 -20.351 3.593 -0.316 1.00 0.53 O ATOM 1586 CB ASP A 117 -23.061 1.781 0.710 1.00 0.60 C ATOM 1587 CG ASP A 117 -23.421 1.467 2.153 1.00 0.62 C ATOM 1588 OD1 ASP A 117 -23.795 2.402 2.895 1.00 0.67 O ATOM 1589 OD2 ASP A 117 -23.347 0.281 2.550 1.00 0.64 O ATOM 0 H ASP A 117 -24.584 3.638 0.083 1.00 0.59 H new ATOM 0 HA ASP A 117 -22.110 3.550 1.458 1.00 0.58 H new ATOM 0 HB2 ASP A 117 -23.933 1.614 0.077 1.00 0.60 H new ATOM 0 HB3 ASP A 117 -22.287 1.091 0.374 1.00 0.60 H new ATOM 1594 N GLU A 118 -21.941 3.029 -1.807 1.00 0.56 N ATOM 1595 CA GLU A 118 -21.036 3.064 -2.950 1.00 0.56 C ATOM 1596 C GLU A 118 -20.536 4.480 -3.196 1.00 0.55 C ATOM 1597 O GLU A 118 -19.371 4.689 -3.535 1.00 0.55 O ATOM 1598 CB GLU A 118 -21.736 2.529 -4.202 1.00 0.59 C ATOM 1599 CG GLU A 118 -21.908 1.025 -4.196 1.00 0.62 C ATOM 1600 CD GLU A 118 -20.596 0.299 -4.005 1.00 0.64 C ATOM 1601 OE1 GLU A 118 -19.759 0.322 -4.936 1.00 0.85 O ATOM 1602 OE2 GLU A 118 -20.395 -0.297 -2.928 1.00 0.70 O ATOM 0 H GLU A 118 -22.906 2.793 -2.040 1.00 0.56 H new ATOM 0 HA GLU A 118 -20.180 2.427 -2.726 1.00 0.56 H new ATOM 0 HB2 GLU A 118 -22.715 2.999 -4.291 1.00 0.59 H new ATOM 0 HB3 GLU A 118 -21.162 2.819 -5.082 1.00 0.59 H new ATOM 0 HG2 GLU A 118 -22.596 0.743 -3.399 1.00 0.62 H new ATOM 0 HG3 GLU A 118 -22.362 0.710 -5.135 1.00 0.62 H new ATOM 1609 N GLU A 119 -21.424 5.448 -3.005 1.00 0.57 N ATOM 1610 CA GLU A 119 -21.090 6.854 -3.196 1.00 0.59 C ATOM 1611 C GLU A 119 -19.933 7.254 -2.283 1.00 0.56 C ATOM 1612 O GLU A 119 -18.968 7.883 -2.719 1.00 0.57 O ATOM 1613 CB GLU A 119 -22.319 7.723 -2.912 1.00 0.64 C ATOM 1614 CG GLU A 119 -22.090 9.211 -3.128 1.00 0.71 C ATOM 1615 CD GLU A 119 -21.790 9.561 -4.571 1.00 0.84 C ATOM 1616 OE1 GLU A 119 -22.614 9.240 -5.451 1.00 1.12 O ATOM 1617 OE2 GLU A 119 -20.733 10.167 -4.829 1.00 1.25 O ATOM 0 H GLU A 119 -22.388 5.283 -2.716 1.00 0.57 H new ATOM 0 HA GLU A 119 -20.780 7.007 -4.230 1.00 0.59 H new ATOM 0 HB2 GLU A 119 -23.138 7.396 -3.552 1.00 0.64 H new ATOM 0 HB3 GLU A 119 -22.635 7.561 -1.882 1.00 0.64 H new ATOM 0 HG2 GLU A 119 -22.974 9.760 -2.803 1.00 0.71 H new ATOM 0 HG3 GLU A 119 -21.262 9.540 -2.500 1.00 0.71 H new ATOM 1624 N HIS A 120 -20.030 6.866 -1.016 1.00 0.55 N ATOM 1625 CA HIS A 120 -18.993 7.176 -0.039 1.00 0.54 C ATOM 1626 C HIS A 120 -17.687 6.487 -0.410 1.00 0.51 C ATOM 1627 O HIS A 120 -16.622 7.100 -0.362 1.00 0.52 O ATOM 1628 CB HIS A 120 -19.426 6.745 1.367 1.00 0.55 C ATOM 1629 CG HIS A 120 -20.270 7.755 2.080 1.00 0.59 C ATOM 1630 ND1 HIS A 120 -21.493 7.454 2.636 1.00 0.64 N ATOM 1631 CD2 HIS A 120 -20.055 9.069 2.335 1.00 0.71 C ATOM 1632 CE1 HIS A 120 -21.995 8.533 3.201 1.00 0.68 C ATOM 1633 NE2 HIS A 120 -21.141 9.525 3.035 1.00 0.74 N ATOM 0 H HIS A 120 -20.817 6.336 -0.641 1.00 0.55 H new ATOM 0 HA HIS A 120 -18.838 8.255 -0.043 1.00 0.54 H new ATOM 0 HB2 HIS A 120 -19.980 5.809 1.295 1.00 0.55 H new ATOM 0 HB3 HIS A 120 -18.537 6.543 1.964 1.00 0.55 H new ATOM 0 HD2 HIS A 120 -19.191 9.647 2.042 1.00 0.71 H new ATOM 0 HE1 HIS A 120 -22.944 8.595 3.713 1.00 0.68 H new ATOM 0 HE2 HIS A 120 -21.269 10.479 3.374 1.00 0.74 H new ATOM 1642 N CYS A 121 -17.783 5.219 -0.792 1.00 0.49 N ATOM 1643 CA CYS A 121 -16.613 4.435 -1.176 1.00 0.48 C ATOM 1644 C CYS A 121 -15.889 5.075 -2.357 1.00 0.48 C ATOM 1645 O CYS A 121 -14.659 5.152 -2.380 1.00 0.47 O ATOM 1646 CB CYS A 121 -17.031 3.007 -1.529 1.00 0.49 C ATOM 1647 SG CYS A 121 -15.652 1.871 -1.803 1.00 0.48 S ATOM 0 H CYS A 121 -18.664 4.708 -0.845 1.00 0.49 H new ATOM 0 HA CYS A 121 -15.927 4.409 -0.329 1.00 0.48 H new ATOM 0 HB2 CYS A 121 -17.655 2.615 -0.726 1.00 0.49 H new ATOM 0 HB3 CYS A 121 -17.648 3.034 -2.427 1.00 0.49 H new ATOM 0 HG CYS A 121 -14.698 2.135 -0.960 1.00 0.48 H new ATOM 1653 N ARG A 122 -16.664 5.531 -3.333 1.00 0.51 N ATOM 1654 CA ARG A 122 -16.106 6.165 -4.520 1.00 0.54 C ATOM 1655 C ARG A 122 -15.421 7.482 -4.161 1.00 0.53 C ATOM 1656 O ARG A 122 -14.296 7.739 -4.589 1.00 0.54 O ATOM 1657 CB ARG A 122 -17.211 6.413 -5.545 1.00 0.59 C ATOM 1658 CG ARG A 122 -16.695 6.658 -6.953 1.00 0.85 C ATOM 1659 CD ARG A 122 -17.836 6.720 -7.953 1.00 0.89 C ATOM 1660 NE ARG A 122 -18.779 5.615 -7.776 1.00 1.09 N ATOM 1661 CZ ARG A 122 -20.099 5.767 -7.686 1.00 0.97 C ATOM 1662 NH1 ARG A 122 -20.649 6.972 -7.757 1.00 1.44 N ATOM 1663 NH2 ARG A 122 -20.874 4.706 -7.518 1.00 1.52 N ATOM 0 H ARG A 122 -17.682 5.473 -3.326 1.00 0.51 H new ATOM 0 HA ARG A 122 -15.360 5.497 -4.950 1.00 0.54 H new ATOM 0 HB2 ARG A 122 -17.882 5.554 -5.558 1.00 0.59 H new ATOM 0 HB3 ARG A 122 -17.801 7.273 -5.229 1.00 0.59 H new ATOM 0 HG2 ARG A 122 -16.133 7.592 -6.980 1.00 0.85 H new ATOM 0 HG3 ARG A 122 -16.005 5.863 -7.234 1.00 0.85 H new ATOM 0 HD2 ARG A 122 -18.363 7.668 -7.844 1.00 0.89 H new ATOM 0 HD3 ARG A 122 -17.433 6.694 -8.965 1.00 0.89 H new ATOM 0 HE ARG A 122 -18.402 4.669 -7.718 1.00 1.09 H new ATOM 0 HH11 ARG A 122 -20.060 7.795 -7.882 1.00 1.44 H new ATOM 0 HH12 ARG A 122 -21.661 7.076 -7.687 1.00 1.44 H new ATOM 0 HH21 ARG A 122 -20.459 3.776 -7.458 1.00 1.52 H new ATOM 0 HH22 ARG A 122 -21.885 4.819 -7.449 1.00 1.52 H new ATOM 1677 N LYS A 123 -16.106 8.302 -3.361 1.00 0.53 N ATOM 1678 CA LYS A 123 -15.572 9.593 -2.939 1.00 0.53 C ATOM 1679 C LYS A 123 -14.234 9.423 -2.237 1.00 0.51 C ATOM 1680 O LYS A 123 -13.297 10.182 -2.483 1.00 0.53 O ATOM 1681 CB LYS A 123 -16.562 10.312 -2.021 1.00 0.56 C ATOM 1682 CG LYS A 123 -17.746 10.919 -2.754 1.00 0.63 C ATOM 1683 CD LYS A 123 -18.599 11.760 -1.821 1.00 0.73 C ATOM 1684 CE LYS A 123 -19.684 12.509 -2.578 1.00 0.85 C ATOM 1685 NZ LYS A 123 -20.463 13.410 -1.684 1.00 1.12 N ATOM 0 H LYS A 123 -17.034 8.092 -2.993 1.00 0.53 H new ATOM 0 HA LYS A 123 -15.418 10.201 -3.831 1.00 0.53 H new ATOM 0 HB2 LYS A 123 -16.930 9.607 -1.276 1.00 0.56 H new ATOM 0 HB3 LYS A 123 -16.037 11.101 -1.482 1.00 0.56 H new ATOM 0 HG2 LYS A 123 -17.389 11.536 -3.579 1.00 0.63 H new ATOM 0 HG3 LYS A 123 -18.353 10.125 -3.189 1.00 0.63 H new ATOM 0 HD2 LYS A 123 -19.057 11.118 -1.068 1.00 0.73 H new ATOM 0 HD3 LYS A 123 -17.966 12.472 -1.291 1.00 0.73 H new ATOM 0 HE2 LYS A 123 -19.231 13.094 -3.378 1.00 0.85 H new ATOM 0 HE3 LYS A 123 -20.358 11.794 -3.049 1.00 0.85 H new ATOM 0 HZ1 LYS A 123 -21.193 13.902 -2.238 1.00 1.12 H new ATOM 0 HZ2 LYS A 123 -20.917 12.849 -0.935 1.00 1.12 H new ATOM 0 HZ3 LYS A 123 -19.824 14.109 -1.254 1.00 1.12 H new ATOM 1699 N VAL A 124 -14.146 8.411 -1.383 1.00 0.48 N ATOM 1700 CA VAL A 124 -12.921 8.133 -0.645 1.00 0.46 C ATOM 1701 C VAL A 124 -11.767 7.847 -1.606 1.00 0.45 C ATOM 1702 O VAL A 124 -10.720 8.487 -1.534 1.00 0.45 O ATOM 1703 CB VAL A 124 -13.103 6.938 0.319 1.00 0.45 C ATOM 1704 CG1 VAL A 124 -11.768 6.472 0.884 1.00 0.43 C ATOM 1705 CG2 VAL A 124 -14.047 7.304 1.454 1.00 0.50 C ATOM 0 H VAL A 124 -14.912 7.767 -1.184 1.00 0.48 H new ATOM 0 HA VAL A 124 -12.686 9.019 -0.055 1.00 0.46 H new ATOM 0 HB VAL A 124 -13.536 6.118 -0.253 1.00 0.45 H new ATOM 0 HG11 VAL A 124 -11.932 5.631 1.558 1.00 0.43 H new ATOM 0 HG12 VAL A 124 -11.116 6.161 0.068 1.00 0.43 H new ATOM 0 HG13 VAL A 124 -11.299 7.290 1.432 1.00 0.43 H new ATOM 0 HG21 VAL A 124 -14.162 6.450 2.121 1.00 0.50 H new ATOM 0 HG22 VAL A 124 -13.637 8.147 2.011 1.00 0.50 H new ATOM 0 HG23 VAL A 124 -15.019 7.578 1.045 1.00 0.50 H new ATOM 1715 N ASN A 125 -11.985 6.907 -2.525 1.00 0.46 N ATOM 1716 CA ASN A 125 -10.965 6.515 -3.503 1.00 0.48 C ATOM 1717 C ASN A 125 -10.465 7.714 -4.297 1.00 0.49 C ATOM 1718 O ASN A 125 -9.255 7.888 -4.485 1.00 0.52 O ATOM 1719 CB ASN A 125 -11.518 5.464 -4.470 1.00 0.50 C ATOM 1720 CG ASN A 125 -11.306 4.047 -3.983 1.00 0.51 C ATOM 1721 OD1 ASN A 125 -10.327 3.748 -3.299 1.00 0.69 O ATOM 1722 ND2 ASN A 125 -12.218 3.160 -4.339 1.00 0.77 N ATOM 0 H ASN A 125 -12.865 6.398 -2.614 1.00 0.46 H new ATOM 0 HA ASN A 125 -10.129 6.092 -2.945 1.00 0.48 H new ATOM 0 HB2 ASN A 125 -12.584 5.637 -4.616 1.00 0.50 H new ATOM 0 HB3 ASN A 125 -11.040 5.584 -5.442 1.00 0.50 H new ATOM 0 HD21 ASN A 125 -12.125 2.187 -4.046 1.00 0.77 H new ATOM 0 HD22 ASN A 125 -13.015 3.448 -4.907 1.00 0.77 H new ATOM 1729 N GLU A 126 -11.399 8.538 -4.753 1.00 0.52 N ATOM 1730 CA GLU A 126 -11.065 9.720 -5.539 1.00 0.56 C ATOM 1731 C GLU A 126 -10.195 10.692 -4.753 1.00 0.55 C ATOM 1732 O GLU A 126 -9.118 11.069 -5.199 1.00 0.64 O ATOM 1733 CB GLU A 126 -12.331 10.445 -5.982 1.00 0.64 C ATOM 1734 CG GLU A 126 -13.211 9.624 -6.903 1.00 0.76 C ATOM 1735 CD GLU A 126 -14.354 10.434 -7.471 1.00 0.91 C ATOM 1736 OE1 GLU A 126 -15.330 10.691 -6.738 1.00 1.30 O ATOM 1737 OE2 GLU A 126 -14.288 10.819 -8.658 1.00 1.27 O ATOM 0 H GLU A 126 -12.398 8.409 -4.592 1.00 0.52 H new ATOM 0 HA GLU A 126 -10.509 9.374 -6.410 1.00 0.56 H new ATOM 0 HB2 GLU A 126 -12.906 10.726 -5.100 1.00 0.64 H new ATOM 0 HB3 GLU A 126 -12.052 11.369 -6.488 1.00 0.64 H new ATOM 0 HG2 GLU A 126 -12.608 9.226 -7.720 1.00 0.76 H new ATOM 0 HG3 GLU A 126 -13.610 8.770 -6.356 1.00 0.76 H new ATOM 1744 N TYR A 127 -10.666 11.070 -3.572 1.00 0.53 N ATOM 1745 CA TYR A 127 -9.962 12.028 -2.722 1.00 0.55 C ATOM 1746 C TYR A 127 -8.614 11.503 -2.228 1.00 0.52 C ATOM 1747 O TYR A 127 -7.743 12.289 -1.844 1.00 0.60 O ATOM 1748 CB TYR A 127 -10.837 12.403 -1.525 1.00 0.59 C ATOM 1749 CG TYR A 127 -11.768 13.569 -1.781 1.00 0.62 C ATOM 1750 CD1 TYR A 127 -11.351 14.879 -1.571 1.00 0.73 C ATOM 1751 CD2 TYR A 127 -13.066 13.357 -2.227 1.00 0.69 C ATOM 1752 CE1 TYR A 127 -12.206 15.943 -1.798 1.00 0.79 C ATOM 1753 CE2 TYR A 127 -13.925 14.414 -2.455 1.00 0.74 C ATOM 1754 CZ TYR A 127 -13.490 15.704 -2.240 1.00 0.74 C ATOM 1755 OH TYR A 127 -14.348 16.759 -2.466 1.00 0.84 O ATOM 0 H TYR A 127 -11.541 10.725 -3.176 1.00 0.53 H new ATOM 0 HA TYR A 127 -9.761 12.908 -3.334 1.00 0.55 H new ATOM 0 HB2 TYR A 127 -11.430 11.535 -1.236 1.00 0.59 H new ATOM 0 HB3 TYR A 127 -10.193 12.645 -0.680 1.00 0.59 H new ATOM 0 HD1 TYR A 127 -10.345 15.069 -1.226 1.00 0.73 H new ATOM 0 HD2 TYR A 127 -13.410 12.348 -2.399 1.00 0.69 H new ATOM 0 HE1 TYR A 127 -11.869 16.955 -1.630 1.00 0.79 H new ATOM 0 HE2 TYR A 127 -14.932 14.231 -2.800 1.00 0.74 H new ATOM 0 HH TYR A 127 -15.213 16.417 -2.775 1.00 0.84 H new ATOM 1765 N LEU A 128 -8.444 10.189 -2.208 1.00 0.49 N ATOM 1766 CA LEU A 128 -7.191 9.596 -1.746 1.00 0.49 C ATOM 1767 C LEU A 128 -6.152 9.535 -2.866 1.00 0.53 C ATOM 1768 O LEU A 128 -4.994 9.911 -2.675 1.00 0.69 O ATOM 1769 CB LEU A 128 -7.423 8.186 -1.188 1.00 0.46 C ATOM 1770 CG LEU A 128 -8.300 8.095 0.066 1.00 0.42 C ATOM 1771 CD1 LEU A 128 -8.208 6.703 0.677 1.00 0.49 C ATOM 1772 CD2 LEU A 128 -7.909 9.155 1.087 1.00 0.44 C ATOM 0 H LEU A 128 -9.150 9.515 -2.503 1.00 0.49 H new ATOM 0 HA LEU A 128 -6.809 10.237 -0.952 1.00 0.49 H new ATOM 0 HB2 LEU A 128 -7.878 7.578 -1.970 1.00 0.46 H new ATOM 0 HB3 LEU A 128 -6.453 7.742 -0.962 1.00 0.46 H new ATOM 0 HG LEU A 128 -9.333 8.279 -0.229 1.00 0.42 H new ATOM 0 HD11 LEU A 128 -8.836 6.654 1.567 1.00 0.49 H new ATOM 0 HD12 LEU A 128 -8.548 5.964 -0.049 1.00 0.49 H new ATOM 0 HD13 LEU A 128 -7.174 6.493 0.951 1.00 0.49 H new ATOM 0 HD21 LEU A 128 -8.548 9.067 1.966 1.00 0.44 H new ATOM 0 HD22 LEU A 128 -6.868 9.013 1.379 1.00 0.44 H new ATOM 0 HD23 LEU A 128 -8.031 10.145 0.648 1.00 0.44 H new ATOM 1784 N ASN A 129 -6.567 9.066 -4.035 1.00 0.54 N ATOM 1785 CA ASN A 129 -5.656 8.934 -5.170 1.00 0.59 C ATOM 1786 C ASN A 129 -5.464 10.252 -5.910 1.00 0.65 C ATOM 1787 O ASN A 129 -4.423 10.470 -6.534 1.00 0.78 O ATOM 1788 CB ASN A 129 -6.155 7.861 -6.141 1.00 0.64 C ATOM 1789 CG ASN A 129 -5.790 6.458 -5.690 1.00 0.68 C ATOM 1790 OD1 ASN A 129 -4.685 5.977 -5.947 1.00 0.81 O ATOM 1791 ND2 ASN A 129 -6.714 5.791 -5.015 1.00 0.89 N ATOM 0 H ASN A 129 -7.525 8.771 -4.225 1.00 0.54 H new ATOM 0 HA ASN A 129 -4.689 8.635 -4.767 1.00 0.59 H new ATOM 0 HB2 ASN A 129 -7.238 7.938 -6.238 1.00 0.64 H new ATOM 0 HB3 ASN A 129 -5.732 8.044 -7.129 1.00 0.64 H new ATOM 0 HD21 ASN A 129 -6.523 4.844 -4.688 1.00 0.89 H new ATOM 0 HD22 ASN A 129 -7.617 6.224 -4.822 1.00 0.89 H new ATOM 1798 N ASN A 130 -6.453 11.127 -5.837 1.00 0.67 N ATOM 1799 CA ASN A 130 -6.380 12.414 -6.512 1.00 0.74 C ATOM 1800 C ASN A 130 -6.661 13.546 -5.539 1.00 0.80 C ATOM 1801 O ASN A 130 -7.835 13.952 -5.411 1.00 0.99 O ATOM 1802 CB ASN A 130 -7.370 12.462 -7.682 1.00 0.82 C ATOM 1803 CG ASN A 130 -6.751 12.008 -8.990 1.00 0.91 C ATOM 1804 OD1 ASN A 130 -5.578 12.264 -9.264 1.00 1.10 O ATOM 1805 ND2 ASN A 130 -7.537 11.330 -9.813 1.00 1.09 N ATOM 0 H ASN A 130 -7.317 10.971 -5.317 1.00 0.67 H new ATOM 0 HA ASN A 130 -5.370 12.538 -6.903 1.00 0.74 H new ATOM 0 HB2 ASN A 130 -8.229 11.831 -7.452 1.00 0.82 H new ATOM 0 HB3 ASN A 130 -7.744 13.480 -7.795 1.00 0.82 H new ATOM 0 HD21 ASN A 130 -7.175 11.001 -10.708 1.00 1.09 H new ATOM 0 HD22 ASN A 130 -8.504 11.137 -9.551 1.00 1.09 H new ATOM 1813 N ALA B 26 37.932 -7.175 7.471 1.00 1.24 N ATOM 1814 CA ALA B 26 36.768 -7.053 8.378 1.00 1.15 C ATOM 1815 C ALA B 26 35.484 -6.909 7.574 1.00 1.06 C ATOM 1816 O ALA B 26 35.397 -6.070 6.675 1.00 1.08 O ATOM 1817 CB ALA B 26 36.945 -5.869 9.313 1.00 1.27 C ATOM 0 HA ALA B 26 36.701 -7.959 8.980 1.00 1.15 H new ATOM 0 HB1 ALA B 26 36.081 -5.794 9.973 1.00 1.27 H new ATOM 0 HB2 ALA B 26 37.846 -6.008 9.910 1.00 1.27 H new ATOM 0 HB3 ALA B 26 37.035 -4.954 8.728 1.00 1.27 H new ATOM 1825 N PRO B 27 34.474 -7.743 7.878 1.00 1.03 N ATOM 1826 CA PRO B 27 33.184 -7.712 7.186 1.00 0.98 C ATOM 1827 C PRO B 27 32.334 -6.512 7.597 1.00 0.96 C ATOM 1828 O PRO B 27 32.593 -5.874 8.620 1.00 1.05 O ATOM 1829 CB PRO B 27 32.521 -9.016 7.632 1.00 1.03 C ATOM 1830 CG PRO B 27 33.101 -9.296 8.969 1.00 1.15 C ATOM 1831 CD PRO B 27 34.517 -8.790 8.921 1.00 1.12 C ATOM 0 HA PRO B 27 33.298 -7.620 6.106 1.00 0.98 H new ATOM 0 HB2 PRO B 27 31.437 -8.911 7.685 1.00 1.03 H new ATOM 0 HB3 PRO B 27 32.729 -9.826 6.933 1.00 1.03 H new ATOM 0 HG2 PRO B 27 32.534 -8.794 9.753 1.00 1.15 H new ATOM 0 HG3 PRO B 27 33.075 -10.363 9.190 1.00 1.15 H new ATOM 0 HD2 PRO B 27 34.832 -8.386 9.883 1.00 1.12 H new ATOM 0 HD3 PRO B 27 35.218 -9.584 8.664 1.00 1.12 H new ATOM 1839 N ALA B 28 31.319 -6.207 6.802 1.00 0.95 N ATOM 1840 CA ALA B 28 30.440 -5.080 7.087 1.00 0.96 C ATOM 1841 C ALA B 28 28.973 -5.462 6.905 1.00 0.90 C ATOM 1842 O ALA B 28 28.153 -4.625 6.529 1.00 0.88 O ATOM 1843 CB ALA B 28 30.792 -3.902 6.195 1.00 1.04 C ATOM 0 H ALA B 28 31.083 -6.723 5.955 1.00 0.95 H new ATOM 0 HA ALA B 28 30.585 -4.794 8.129 1.00 0.96 H new ATOM 0 HB1 ALA B 28 30.128 -3.066 6.417 1.00 1.04 H new ATOM 0 HB2 ALA B 28 31.825 -3.604 6.377 1.00 1.04 H new ATOM 0 HB3 ALA B 28 30.676 -4.189 5.150 1.00 1.04 H new ATOM 1849 N GLU B 29 28.654 -6.722 7.197 1.00 0.93 N ATOM 1850 CA GLU B 29 27.289 -7.246 7.072 1.00 0.90 C ATOM 1851 C GLU B 29 26.841 -7.253 5.610 1.00 0.85 C ATOM 1852 O GLU B 29 26.232 -6.296 5.128 1.00 0.82 O ATOM 1853 CB GLU B 29 26.298 -6.444 7.927 1.00 0.91 C ATOM 1854 CG GLU B 29 26.660 -6.391 9.403 1.00 1.14 C ATOM 1855 CD GLU B 29 25.450 -6.210 10.294 1.00 1.10 C ATOM 1856 OE1 GLU B 29 24.707 -7.194 10.499 1.00 1.29 O ATOM 1857 OE2 GLU B 29 25.237 -5.086 10.798 1.00 1.30 O ATOM 0 H GLU B 29 29.331 -7.410 7.527 1.00 0.93 H new ATOM 0 HA GLU B 29 27.299 -8.272 7.440 1.00 0.90 H new ATOM 0 HB2 GLU B 29 26.240 -5.427 7.540 1.00 0.91 H new ATOM 0 HB3 GLU B 29 25.305 -6.882 7.822 1.00 0.91 H new ATOM 0 HG2 GLU B 29 27.176 -7.310 9.680 1.00 1.14 H new ATOM 0 HG3 GLU B 29 27.357 -5.571 9.573 1.00 1.14 H new ATOM 1864 N PRO B 30 27.120 -8.351 4.888 1.00 0.88 N ATOM 1865 CA PRO B 30 26.765 -8.487 3.470 1.00 0.88 C ATOM 1866 C PRO B 30 25.311 -8.910 3.246 1.00 0.82 C ATOM 1867 O PRO B 30 24.978 -9.504 2.218 1.00 0.85 O ATOM 1868 CB PRO B 30 27.716 -9.578 2.991 1.00 1.00 C ATOM 1869 CG PRO B 30 27.943 -10.440 4.184 1.00 1.07 C ATOM 1870 CD PRO B 30 27.820 -9.549 5.395 1.00 0.98 C ATOM 0 HA PRO B 30 26.854 -7.540 2.938 1.00 0.88 H new ATOM 0 HB2 PRO B 30 27.282 -10.147 2.169 1.00 1.00 H new ATOM 0 HB3 PRO B 30 28.652 -9.154 2.626 1.00 1.00 H new ATOM 0 HG2 PRO B 30 27.212 -11.247 4.222 1.00 1.07 H new ATOM 0 HG3 PRO B 30 28.929 -10.904 4.144 1.00 1.07 H new ATOM 0 HD2 PRO B 30 27.256 -10.034 6.192 1.00 0.98 H new ATOM 0 HD3 PRO B 30 28.798 -9.296 5.805 1.00 0.98 H new ATOM 1878 N LYS B 31 24.453 -8.609 4.206 1.00 0.78 N ATOM 1879 CA LYS B 31 23.044 -8.948 4.096 1.00 0.74 C ATOM 1880 C LYS B 31 22.307 -7.844 3.348 1.00 0.69 C ATOM 1881 O LYS B 31 21.927 -6.829 3.931 1.00 0.73 O ATOM 1882 CB LYS B 31 22.426 -9.165 5.481 1.00 0.76 C ATOM 1883 CG LYS B 31 23.090 -10.279 6.280 1.00 0.92 C ATOM 1884 CD LYS B 31 22.140 -10.880 7.308 1.00 1.11 C ATOM 1885 CE LYS B 31 21.043 -11.702 6.650 1.00 1.32 C ATOM 1886 NZ LYS B 31 20.329 -12.565 7.628 1.00 1.45 N ATOM 0 H LYS B 31 24.707 -8.131 5.070 1.00 0.78 H new ATOM 0 HA LYS B 31 22.950 -9.880 3.538 1.00 0.74 H new ATOM 0 HB2 LYS B 31 22.490 -8.236 6.047 1.00 0.76 H new ATOM 0 HB3 LYS B 31 21.367 -9.395 5.365 1.00 0.76 H new ATOM 0 HG2 LYS B 31 23.432 -11.060 5.601 1.00 0.92 H new ATOM 0 HG3 LYS B 31 23.973 -9.887 6.786 1.00 0.92 H new ATOM 0 HD2 LYS B 31 22.702 -11.510 7.998 1.00 1.11 H new ATOM 0 HD3 LYS B 31 21.691 -10.081 7.899 1.00 1.11 H new ATOM 0 HE2 LYS B 31 20.329 -11.034 6.168 1.00 1.32 H new ATOM 0 HE3 LYS B 31 21.477 -12.324 5.867 1.00 1.32 H new ATOM 0 HZ1 LYS B 31 19.590 -13.108 7.137 1.00 1.45 H new ATOM 0 HZ2 LYS B 31 21.004 -13.221 8.070 1.00 1.45 H new ATOM 0 HZ3 LYS B 31 19.893 -11.971 8.362 1.00 1.45 H new ATOM 1900 N ILE B 32 22.130 -8.041 2.054 1.00 0.68 N ATOM 1901 CA ILE B 32 21.456 -7.062 1.216 1.00 0.66 C ATOM 1902 C ILE B 32 19.959 -7.353 1.147 1.00 0.62 C ATOM 1903 O ILE B 32 19.546 -8.497 0.934 1.00 0.67 O ATOM 1904 CB ILE B 32 22.074 -7.032 -0.211 1.00 0.71 C ATOM 1905 CG1 ILE B 32 23.208 -6.005 -0.280 1.00 0.88 C ATOM 1906 CG2 ILE B 32 21.026 -6.728 -1.272 1.00 0.80 C ATOM 1907 CD1 ILE B 32 24.465 -6.431 0.448 1.00 1.20 C ATOM 0 H ILE B 32 22.445 -8.874 1.557 1.00 0.68 H new ATOM 0 HA ILE B 32 21.595 -6.079 1.666 1.00 0.66 H new ATOM 0 HB ILE B 32 22.477 -8.024 -0.415 1.00 0.71 H new ATOM 0 HG12 ILE B 32 23.451 -5.817 -1.326 1.00 0.88 H new ATOM 0 HG13 ILE B 32 22.858 -5.062 0.141 1.00 0.88 H new ATOM 0 HG21 ILE B 32 21.497 -6.716 -2.255 1.00 0.80 H new ATOM 0 HG22 ILE B 32 20.252 -7.495 -1.250 1.00 0.80 H new ATOM 0 HG23 ILE B 32 20.578 -5.755 -1.072 1.00 0.80 H new ATOM 0 HD11 ILE B 32 25.222 -5.652 0.354 1.00 1.20 H new ATOM 0 HD12 ILE B 32 24.238 -6.591 1.502 1.00 1.20 H new ATOM 0 HD13 ILE B 32 24.841 -7.357 0.013 1.00 1.20 H new ATOM 1919 N ILE B 33 19.154 -6.320 1.356 1.00 0.58 N ATOM 1920 CA ILE B 33 17.708 -6.453 1.305 1.00 0.56 C ATOM 1921 C ILE B 33 17.170 -5.846 0.012 1.00 0.54 C ATOM 1922 O ILE B 33 17.788 -4.950 -0.568 1.00 0.60 O ATOM 1923 CB ILE B 33 17.023 -5.778 2.513 1.00 0.56 C ATOM 1924 CG1 ILE B 33 17.394 -4.294 2.582 1.00 0.59 C ATOM 1925 CG2 ILE B 33 17.403 -6.494 3.804 1.00 0.67 C ATOM 1926 CD1 ILE B 33 16.550 -3.504 3.556 1.00 0.67 C ATOM 0 H ILE B 33 19.482 -5.377 1.563 1.00 0.58 H new ATOM 0 HA ILE B 33 17.479 -7.518 1.339 1.00 0.56 H new ATOM 0 HB ILE B 33 15.943 -5.850 2.386 1.00 0.56 H new ATOM 0 HG12 ILE B 33 18.442 -4.203 2.866 1.00 0.59 H new ATOM 0 HG13 ILE B 33 17.293 -3.856 1.589 1.00 0.59 H new ATOM 0 HG21 ILE B 33 16.913 -6.008 4.648 1.00 0.67 H new ATOM 0 HG22 ILE B 33 17.084 -7.535 3.750 1.00 0.67 H new ATOM 0 HG23 ILE B 33 18.484 -6.452 3.939 1.00 0.67 H new ATOM 0 HD11 ILE B 33 16.869 -2.462 3.552 1.00 0.67 H new ATOM 0 HD12 ILE B 33 15.502 -3.564 3.261 1.00 0.67 H new ATOM 0 HD13 ILE B 33 16.669 -3.916 4.558 1.00 0.67 H new ATOM 1938 N LYS B 34 16.027 -6.341 -0.434 1.00 0.53 N ATOM 1939 CA LYS B 34 15.407 -5.855 -1.660 1.00 0.53 C ATOM 1940 C LYS B 34 14.370 -4.783 -1.357 1.00 0.48 C ATOM 1941 O LYS B 34 13.368 -5.049 -0.691 1.00 0.57 O ATOM 1942 CB LYS B 34 14.746 -7.015 -2.407 1.00 0.58 C ATOM 1943 CG LYS B 34 15.731 -8.056 -2.914 1.00 0.76 C ATOM 1944 CD LYS B 34 15.049 -9.383 -3.200 1.00 0.87 C ATOM 1945 CE LYS B 34 14.050 -9.285 -4.345 1.00 1.07 C ATOM 1946 NZ LYS B 34 14.713 -8.981 -5.638 1.00 1.31 N ATOM 0 H LYS B 34 15.506 -7.082 0.035 1.00 0.53 H new ATOM 0 HA LYS B 34 16.185 -5.417 -2.285 1.00 0.53 H new ATOM 0 HB2 LYS B 34 14.028 -7.499 -1.745 1.00 0.58 H new ATOM 0 HB3 LYS B 34 14.184 -6.618 -3.252 1.00 0.58 H new ATOM 0 HG2 LYS B 34 16.211 -7.691 -3.822 1.00 0.76 H new ATOM 0 HG3 LYS B 34 16.518 -8.203 -2.174 1.00 0.76 H new ATOM 0 HD2 LYS B 34 15.803 -10.132 -3.442 1.00 0.87 H new ATOM 0 HD3 LYS B 34 14.536 -9.726 -2.302 1.00 0.87 H new ATOM 0 HE2 LYS B 34 13.503 -10.224 -4.430 1.00 1.07 H new ATOM 0 HE3 LYS B 34 13.318 -8.509 -4.122 1.00 1.07 H new ATOM 0 HZ1 LYS B 34 14.009 -9.007 -6.403 1.00 1.31 H new ATOM 0 HZ2 LYS B 34 15.142 -8.035 -5.594 1.00 1.31 H new ATOM 0 HZ3 LYS B 34 15.452 -9.688 -5.824 1.00 1.31 H new ATOM 1960 N VAL B 35 14.615 -3.578 -1.840 1.00 0.44 N ATOM 1961 CA VAL B 35 13.696 -2.474 -1.627 1.00 0.41 C ATOM 1962 C VAL B 35 13.092 -2.032 -2.959 1.00 0.42 C ATOM 1963 O VAL B 35 13.775 -1.458 -3.813 1.00 0.45 O ATOM 1964 CB VAL B 35 14.393 -1.285 -0.918 1.00 0.40 C ATOM 1965 CG1 VAL B 35 15.761 -1.011 -1.521 1.00 0.42 C ATOM 1966 CG2 VAL B 35 13.527 -0.037 -0.968 1.00 0.40 C ATOM 0 H VAL B 35 15.444 -3.339 -2.383 1.00 0.44 H new ATOM 0 HA VAL B 35 12.895 -2.819 -0.973 1.00 0.41 H new ATOM 0 HB VAL B 35 14.534 -1.561 0.127 1.00 0.40 H new ATOM 0 HG11 VAL B 35 16.225 -0.172 -1.003 1.00 0.42 H new ATOM 0 HG12 VAL B 35 16.389 -1.895 -1.415 1.00 0.42 H new ATOM 0 HG13 VAL B 35 15.651 -0.769 -2.578 1.00 0.42 H new ATOM 0 HG21 VAL B 35 14.040 0.782 -0.463 1.00 0.40 H new ATOM 0 HG22 VAL B 35 13.342 0.236 -2.007 1.00 0.40 H new ATOM 0 HG23 VAL B 35 12.578 -0.233 -0.470 1.00 0.40 H new ATOM 1976 N THR B 36 11.821 -2.344 -3.151 1.00 0.41 N ATOM 1977 CA THR B 36 11.131 -1.989 -4.376 1.00 0.43 C ATOM 1978 C THR B 36 10.529 -0.591 -4.265 1.00 0.39 C ATOM 1979 O THR B 36 9.570 -0.375 -3.521 1.00 0.40 O ATOM 1980 CB THR B 36 10.022 -3.010 -4.691 1.00 0.48 C ATOM 1981 OG1 THR B 36 10.401 -4.304 -4.201 1.00 0.56 O ATOM 1982 CG2 THR B 36 9.769 -3.086 -6.185 1.00 0.57 C ATOM 0 H THR B 36 11.247 -2.843 -2.472 1.00 0.41 H new ATOM 0 HA THR B 36 11.858 -1.998 -5.188 1.00 0.43 H new ATOM 0 HB THR B 36 9.105 -2.686 -4.199 1.00 0.48 H new ATOM 0 HG1 THR B 36 9.692 -4.950 -4.402 1.00 0.56 H new ATOM 0 HG21 THR B 36 8.982 -3.813 -6.384 1.00 0.57 H new ATOM 0 HG22 THR B 36 9.460 -2.107 -6.552 1.00 0.57 H new ATOM 0 HG23 THR B 36 10.683 -3.392 -6.694 1.00 0.57 H new ATOM 1990 N VAL B 37 11.098 0.352 -5.004 1.00 0.41 N ATOM 1991 CA VAL B 37 10.635 1.729 -4.977 1.00 0.40 C ATOM 1992 C VAL B 37 9.613 1.986 -6.082 1.00 0.43 C ATOM 1993 O VAL B 37 9.858 1.703 -7.254 1.00 0.51 O ATOM 1994 CB VAL B 37 11.813 2.721 -5.119 1.00 0.46 C ATOM 1995 CG1 VAL B 37 11.324 4.159 -5.061 1.00 0.52 C ATOM 1996 CG2 VAL B 37 12.853 2.469 -4.041 1.00 0.46 C ATOM 0 H VAL B 37 11.884 0.185 -5.632 1.00 0.41 H new ATOM 0 HA VAL B 37 10.158 1.889 -4.010 1.00 0.40 H new ATOM 0 HB VAL B 37 12.275 2.560 -6.093 1.00 0.46 H new ATOM 0 HG11 VAL B 37 12.172 4.836 -5.163 1.00 0.52 H new ATOM 0 HG12 VAL B 37 10.618 4.336 -5.873 1.00 0.52 H new ATOM 0 HG13 VAL B 37 10.831 4.337 -4.106 1.00 0.52 H new ATOM 0 HG21 VAL B 37 13.675 3.176 -4.156 1.00 0.46 H new ATOM 0 HG22 VAL B 37 12.398 2.598 -3.059 1.00 0.46 H new ATOM 0 HG23 VAL B 37 13.234 1.452 -4.133 1.00 0.46 H new ATOM 2006 N LYS B 38 8.463 2.510 -5.692 1.00 0.41 N ATOM 2007 CA LYS B 38 7.401 2.825 -6.632 1.00 0.46 C ATOM 2008 C LYS B 38 7.460 4.298 -7.002 1.00 0.50 C ATOM 2009 O LYS B 38 7.287 5.170 -6.146 1.00 0.63 O ATOM 2010 CB LYS B 38 6.036 2.490 -6.031 1.00 0.51 C ATOM 2011 CG LYS B 38 5.935 1.071 -5.503 1.00 0.65 C ATOM 2012 CD LYS B 38 4.622 0.833 -4.778 1.00 0.80 C ATOM 2013 CE LYS B 38 3.437 0.897 -5.726 1.00 1.18 C ATOM 2014 NZ LYS B 38 2.168 0.563 -5.035 1.00 1.38 N ATOM 0 H LYS B 38 8.240 2.728 -4.721 1.00 0.41 H new ATOM 0 HA LYS B 38 7.540 2.224 -7.531 1.00 0.46 H new ATOM 0 HB2 LYS B 38 5.825 3.186 -5.219 1.00 0.51 H new ATOM 0 HB3 LYS B 38 5.268 2.642 -6.789 1.00 0.51 H new ATOM 0 HG2 LYS B 38 6.026 0.368 -6.331 1.00 0.65 H new ATOM 0 HG3 LYS B 38 6.766 0.875 -4.825 1.00 0.65 H new ATOM 0 HD2 LYS B 38 4.647 -0.142 -4.291 1.00 0.80 H new ATOM 0 HD3 LYS B 38 4.500 1.578 -3.992 1.00 0.80 H new ATOM 0 HE2 LYS B 38 3.367 1.897 -6.155 1.00 1.18 H new ATOM 0 HE3 LYS B 38 3.594 0.206 -6.554 1.00 1.18 H new ATOM 0 HZ1 LYS B 38 1.387 0.567 -5.722 1.00 1.38 H new ATOM 0 HZ2 LYS B 38 2.245 -0.380 -4.604 1.00 1.38 H new ATOM 0 HZ3 LYS B 38 1.980 1.268 -4.294 1.00 1.38 H new ATOM 2028 N THR B 39 7.701 4.569 -8.271 1.00 0.55 N ATOM 2029 CA THR B 39 7.804 5.931 -8.757 1.00 0.60 C ATOM 2030 C THR B 39 6.739 6.199 -9.807 1.00 0.65 C ATOM 2031 O THR B 39 6.208 5.260 -10.404 1.00 0.67 O ATOM 2032 CB THR B 39 9.193 6.186 -9.380 1.00 0.64 C ATOM 2033 OG1 THR B 39 9.563 5.086 -10.219 1.00 0.78 O ATOM 2034 CG2 THR B 39 10.247 6.382 -8.304 1.00 0.68 C ATOM 0 H THR B 39 7.830 3.856 -8.989 1.00 0.55 H new ATOM 0 HA THR B 39 7.661 6.599 -7.908 1.00 0.60 H new ATOM 0 HB THR B 39 9.134 7.097 -9.976 1.00 0.64 H new ATOM 0 HG1 THR B 39 8.758 4.600 -10.496 1.00 0.78 H new ATOM 0 HG21 THR B 39 11.216 6.560 -8.771 1.00 0.68 H new ATOM 0 HG22 THR B 39 9.980 7.239 -7.685 1.00 0.68 H new ATOM 0 HG23 THR B 39 10.303 5.488 -7.682 1.00 0.68 H new ATOM 2042 N PRO B 40 6.391 7.473 -10.038 1.00 0.71 N ATOM 2043 CA PRO B 40 5.405 7.844 -11.059 1.00 0.78 C ATOM 2044 C PRO B 40 5.999 7.706 -12.460 1.00 0.81 C ATOM 2045 O PRO B 40 6.006 8.653 -13.247 1.00 0.87 O ATOM 2046 CB PRO B 40 5.112 9.310 -10.743 1.00 0.83 C ATOM 2047 CG PRO B 40 6.351 9.814 -10.091 1.00 0.85 C ATOM 2048 CD PRO B 40 6.913 8.653 -9.319 1.00 0.73 C ATOM 0 HA PRO B 40 4.516 7.214 -11.045 1.00 0.78 H new ATOM 0 HB2 PRO B 40 4.885 9.872 -11.649 1.00 0.83 H new ATOM 0 HB3 PRO B 40 4.250 9.408 -10.083 1.00 0.83 H new ATOM 0 HG2 PRO B 40 7.065 10.172 -10.833 1.00 0.85 H new ATOM 0 HG3 PRO B 40 6.131 10.652 -9.430 1.00 0.85 H new ATOM 0 HD2 PRO B 40 8.003 8.667 -9.310 1.00 0.73 H new ATOM 0 HD3 PRO B 40 6.585 8.666 -8.279 1.00 0.73 H new ATOM 2056 N LYS B 41 6.511 6.519 -12.750 1.00 0.82 N ATOM 2057 CA LYS B 41 7.141 6.241 -14.029 1.00 0.87 C ATOM 2058 C LYS B 41 7.357 4.741 -14.206 1.00 0.84 C ATOM 2059 O LYS B 41 7.032 4.180 -15.251 1.00 0.92 O ATOM 2060 CB LYS B 41 8.479 6.982 -14.119 1.00 0.93 C ATOM 2061 CG LYS B 41 9.112 6.966 -15.503 1.00 1.13 C ATOM 2062 CD LYS B 41 9.976 8.201 -15.738 1.00 1.21 C ATOM 2063 CE LYS B 41 11.007 8.391 -14.633 1.00 1.44 C ATOM 2064 NZ LYS B 41 11.766 9.660 -14.790 1.00 1.37 N ATOM 0 H LYS B 41 6.501 5.726 -12.108 1.00 0.82 H new ATOM 0 HA LYS B 41 6.484 6.589 -14.826 1.00 0.87 H new ATOM 0 HB2 LYS B 41 8.329 8.017 -13.813 1.00 0.93 H new ATOM 0 HB3 LYS B 41 9.176 6.537 -13.408 1.00 0.93 H new ATOM 0 HG2 LYS B 41 9.720 6.069 -15.615 1.00 1.13 H new ATOM 0 HG3 LYS B 41 8.330 6.918 -16.261 1.00 1.13 H new ATOM 0 HD2 LYS B 41 10.485 8.111 -16.698 1.00 1.21 H new ATOM 0 HD3 LYS B 41 9.339 9.084 -15.796 1.00 1.21 H new ATOM 0 HE2 LYS B 41 10.506 8.386 -13.665 1.00 1.44 H new ATOM 0 HE3 LYS B 41 11.701 7.551 -14.637 1.00 1.44 H new ATOM 0 HZ1 LYS B 41 12.456 9.749 -14.017 1.00 1.37 H new ATOM 0 HZ2 LYS B 41 12.266 9.655 -15.702 1.00 1.37 H new ATOM 0 HZ3 LYS B 41 11.107 10.464 -14.760 1.00 1.37 H new ATOM 2078 N GLU B 42 7.893 4.096 -13.174 1.00 0.77 N ATOM 2079 CA GLU B 42 8.153 2.662 -13.222 1.00 0.75 C ATOM 2080 C GLU B 42 8.284 2.096 -11.809 1.00 0.70 C ATOM 2081 O GLU B 42 7.952 2.764 -10.829 1.00 0.73 O ATOM 2082 CB GLU B 42 9.429 2.387 -14.029 1.00 0.83 C ATOM 2083 CG GLU B 42 9.296 1.226 -15.003 1.00 1.03 C ATOM 2084 CD GLU B 42 10.394 1.199 -16.047 1.00 1.08 C ATOM 2085 OE1 GLU B 42 11.463 0.610 -15.785 1.00 1.28 O ATOM 2086 OE2 GLU B 42 10.191 1.763 -17.143 1.00 1.41 O ATOM 0 H GLU B 42 8.155 4.543 -12.296 1.00 0.77 H new ATOM 0 HA GLU B 42 7.314 2.169 -13.713 1.00 0.75 H new ATOM 0 HB2 GLU B 42 9.699 3.286 -14.583 1.00 0.83 H new ATOM 0 HB3 GLU B 42 10.247 2.180 -13.339 1.00 0.83 H new ATOM 0 HG2 GLU B 42 9.309 0.289 -14.446 1.00 1.03 H new ATOM 0 HG3 GLU B 42 8.329 1.287 -15.502 1.00 1.03 H new ATOM 2093 N LYS B 43 8.753 0.857 -11.711 1.00 0.68 N ATOM 2094 CA LYS B 43 8.934 0.202 -10.425 1.00 0.64 C ATOM 2095 C LYS B 43 10.336 -0.395 -10.345 1.00 0.63 C ATOM 2096 O LYS B 43 10.546 -1.572 -10.663 1.00 0.74 O ATOM 2097 CB LYS B 43 7.876 -0.890 -10.224 1.00 0.67 C ATOM 2098 CG LYS B 43 7.932 -1.552 -8.856 1.00 0.67 C ATOM 2099 CD LYS B 43 6.938 -2.697 -8.745 1.00 0.74 C ATOM 2100 CE LYS B 43 7.300 -3.853 -9.669 1.00 0.83 C ATOM 2101 NZ LYS B 43 6.438 -5.044 -9.438 1.00 0.98 N ATOM 0 H LYS B 43 9.016 0.285 -12.513 1.00 0.68 H new ATOM 0 HA LYS B 43 8.816 0.941 -9.632 1.00 0.64 H new ATOM 0 HB2 LYS B 43 6.887 -0.456 -10.367 1.00 0.67 H new ATOM 0 HB3 LYS B 43 8.003 -1.653 -10.992 1.00 0.67 H new ATOM 0 HG2 LYS B 43 8.940 -1.926 -8.673 1.00 0.67 H new ATOM 0 HG3 LYS B 43 7.722 -0.811 -8.084 1.00 0.67 H new ATOM 0 HD2 LYS B 43 6.906 -3.052 -7.715 1.00 0.74 H new ATOM 0 HD3 LYS B 43 5.939 -2.336 -8.989 1.00 0.74 H new ATOM 0 HE2 LYS B 43 7.204 -3.532 -10.706 1.00 0.83 H new ATOM 0 HE3 LYS B 43 8.344 -4.126 -9.516 1.00 0.83 H new ATOM 0 HZ1 LYS B 43 6.718 -5.807 -10.087 1.00 0.98 H new ATOM 0 HZ2 LYS B 43 6.549 -5.367 -8.456 1.00 0.98 H new ATOM 0 HZ3 LYS B 43 5.444 -4.791 -9.609 1.00 0.98 H new ATOM 2115 N GLU B 44 11.296 0.426 -9.947 1.00 0.59 N ATOM 2116 CA GLU B 44 12.681 -0.010 -9.842 1.00 0.60 C ATOM 2117 C GLU B 44 13.009 -0.467 -8.427 1.00 0.56 C ATOM 2118 O GLU B 44 12.666 0.194 -7.445 1.00 0.60 O ATOM 2119 CB GLU B 44 13.626 1.117 -10.250 1.00 0.64 C ATOM 2120 CG GLU B 44 14.823 0.642 -11.052 1.00 0.81 C ATOM 2121 CD GLU B 44 14.442 0.199 -12.447 1.00 1.02 C ATOM 2122 OE1 GLU B 44 14.367 1.056 -13.347 1.00 1.21 O ATOM 2123 OE2 GLU B 44 14.220 -1.014 -12.655 1.00 1.24 O ATOM 0 H GLU B 44 11.141 1.401 -9.691 1.00 0.59 H new ATOM 0 HA GLU B 44 12.815 -0.855 -10.518 1.00 0.60 H new ATOM 0 HB2 GLU B 44 13.073 1.850 -10.837 1.00 0.64 H new ATOM 0 HB3 GLU B 44 13.978 1.627 -9.354 1.00 0.64 H new ATOM 0 HG2 GLU B 44 15.556 1.446 -11.116 1.00 0.81 H new ATOM 0 HG3 GLU B 44 15.302 -0.185 -10.529 1.00 0.81 H new ATOM 2130 N GLU B 45 13.676 -1.603 -8.339 1.00 0.56 N ATOM 2131 CA GLU B 45 14.070 -2.169 -7.062 1.00 0.53 C ATOM 2132 C GLU B 45 15.566 -1.966 -6.839 1.00 0.55 C ATOM 2133 O GLU B 45 16.362 -2.109 -7.767 1.00 0.64 O ATOM 2134 CB GLU B 45 13.729 -3.658 -7.036 1.00 0.57 C ATOM 2135 CG GLU B 45 13.969 -4.326 -5.696 1.00 0.58 C ATOM 2136 CD GLU B 45 14.040 -5.828 -5.812 1.00 0.76 C ATOM 2137 OE1 GLU B 45 12.977 -6.480 -5.828 1.00 0.94 O ATOM 2138 OE2 GLU B 45 15.166 -6.365 -5.896 1.00 0.99 O ATOM 0 H GLU B 45 13.959 -2.157 -9.147 1.00 0.56 H new ATOM 0 HA GLU B 45 13.528 -1.665 -6.262 1.00 0.53 H new ATOM 0 HB2 GLU B 45 12.682 -3.785 -7.310 1.00 0.57 H new ATOM 0 HB3 GLU B 45 14.321 -4.169 -7.795 1.00 0.57 H new ATOM 0 HG2 GLU B 45 14.899 -3.952 -5.267 1.00 0.58 H new ATOM 0 HG3 GLU B 45 13.169 -4.054 -5.008 1.00 0.58 H new ATOM 2145 N PHE B 46 15.944 -1.630 -5.616 1.00 0.51 N ATOM 2146 CA PHE B 46 17.345 -1.411 -5.288 1.00 0.54 C ATOM 2147 C PHE B 46 17.831 -2.459 -4.298 1.00 0.54 C ATOM 2148 O PHE B 46 17.031 -3.205 -3.724 1.00 0.54 O ATOM 2149 CB PHE B 46 17.552 -0.007 -4.712 1.00 0.53 C ATOM 2150 CG PHE B 46 17.268 1.093 -5.695 1.00 0.58 C ATOM 2151 CD1 PHE B 46 18.171 1.389 -6.702 1.00 0.78 C ATOM 2152 CD2 PHE B 46 16.096 1.828 -5.612 1.00 0.72 C ATOM 2153 CE1 PHE B 46 17.911 2.398 -7.611 1.00 0.90 C ATOM 2154 CE2 PHE B 46 15.830 2.838 -6.518 1.00 0.85 C ATOM 2155 CZ PHE B 46 16.739 3.122 -7.518 1.00 0.87 C ATOM 0 H PHE B 46 15.301 -1.503 -4.834 1.00 0.51 H new ATOM 0 HA PHE B 46 17.927 -1.500 -6.206 1.00 0.54 H new ATOM 0 HB2 PHE B 46 16.907 0.119 -3.842 1.00 0.53 H new ATOM 0 HB3 PHE B 46 18.580 0.086 -4.363 1.00 0.53 H new ATOM 0 HD1 PHE B 46 19.089 0.825 -6.778 1.00 0.78 H new ATOM 0 HD2 PHE B 46 15.383 1.609 -4.831 1.00 0.72 H new ATOM 0 HE1 PHE B 46 18.623 2.619 -8.392 1.00 0.90 H new ATOM 0 HE2 PHE B 46 14.913 3.404 -6.444 1.00 0.85 H new ATOM 0 HZ PHE B 46 16.533 3.910 -8.227 1.00 0.87 H new ATOM 2165 N ALA B 47 19.142 -2.516 -4.111 1.00 0.57 N ATOM 2166 CA ALA B 47 19.752 -3.464 -3.194 1.00 0.60 C ATOM 2167 C ALA B 47 20.626 -2.733 -2.185 1.00 0.60 C ATOM 2168 O ALA B 47 21.679 -2.202 -2.536 1.00 0.66 O ATOM 2169 CB ALA B 47 20.573 -4.486 -3.971 1.00 0.69 C ATOM 0 H ALA B 47 19.808 -1.909 -4.589 1.00 0.57 H new ATOM 0 HA ALA B 47 18.965 -3.988 -2.652 1.00 0.60 H new ATOM 0 HB1 ALA B 47 21.027 -5.193 -3.276 1.00 0.69 H new ATOM 0 HB2 ALA B 47 19.925 -5.023 -4.663 1.00 0.69 H new ATOM 0 HB3 ALA B 47 21.356 -3.974 -4.531 1.00 0.69 H new ATOM 2175 N VAL B 48 20.187 -2.702 -0.937 1.00 0.57 N ATOM 2176 CA VAL B 48 20.935 -2.016 0.107 1.00 0.59 C ATOM 2177 C VAL B 48 21.250 -2.954 1.266 1.00 0.58 C ATOM 2178 O VAL B 48 20.475 -3.868 1.562 1.00 0.57 O ATOM 2179 CB VAL B 48 20.169 -0.784 0.642 1.00 0.59 C ATOM 2180 CG1 VAL B 48 20.181 0.345 -0.380 1.00 0.66 C ATOM 2181 CG2 VAL B 48 18.738 -1.149 1.011 1.00 0.56 C ATOM 0 H VAL B 48 19.322 -3.141 -0.622 1.00 0.57 H new ATOM 0 HA VAL B 48 21.868 -1.679 -0.346 1.00 0.59 H new ATOM 0 HB VAL B 48 20.677 -0.441 1.543 1.00 0.59 H new ATOM 0 HG11 VAL B 48 19.636 1.201 0.018 1.00 0.66 H new ATOM 0 HG12 VAL B 48 21.211 0.635 -0.590 1.00 0.66 H new ATOM 0 HG13 VAL B 48 19.705 0.008 -1.301 1.00 0.66 H new ATOM 0 HG21 VAL B 48 18.222 -0.265 1.384 1.00 0.56 H new ATOM 0 HG22 VAL B 48 18.220 -1.527 0.129 1.00 0.56 H new ATOM 0 HG23 VAL B 48 18.746 -1.918 1.784 1.00 0.56 H new ATOM 2191 N PRO B 49 22.405 -2.758 1.923 1.00 0.62 N ATOM 2192 CA PRO B 49 22.809 -3.581 3.062 1.00 0.63 C ATOM 2193 C PRO B 49 21.940 -3.332 4.294 1.00 0.60 C ATOM 2194 O PRO B 49 21.371 -2.250 4.463 1.00 0.61 O ATOM 2195 CB PRO B 49 24.257 -3.154 3.333 1.00 0.69 C ATOM 2196 CG PRO B 49 24.676 -2.339 2.157 1.00 0.79 C ATOM 2197 CD PRO B 49 23.420 -1.742 1.598 1.00 0.67 C ATOM 0 HA PRO B 49 22.704 -4.644 2.846 1.00 0.63 H new ATOM 0 HB2 PRO B 49 24.326 -2.574 4.253 1.00 0.69 H new ATOM 0 HB3 PRO B 49 24.903 -4.023 3.455 1.00 0.69 H new ATOM 0 HG2 PRO B 49 25.380 -1.561 2.453 1.00 0.79 H new ATOM 0 HG3 PRO B 49 25.179 -2.957 1.413 1.00 0.79 H new ATOM 0 HD2 PRO B 49 23.191 -0.780 2.056 1.00 0.67 H new ATOM 0 HD3 PRO B 49 23.495 -1.574 0.524 1.00 0.67 H new ATOM 2205 N GLU B 50 21.875 -4.329 5.165 1.00 0.61 N ATOM 2206 CA GLU B 50 21.073 -4.270 6.386 1.00 0.61 C ATOM 2207 C GLU B 50 21.716 -3.382 7.464 1.00 0.67 C ATOM 2208 O GLU B 50 21.439 -3.535 8.653 1.00 1.01 O ATOM 2209 CB GLU B 50 20.895 -5.693 6.923 1.00 0.68 C ATOM 2210 CG GLU B 50 19.657 -5.889 7.782 1.00 0.86 C ATOM 2211 CD GLU B 50 19.698 -7.191 8.550 1.00 0.93 C ATOM 2212 OE1 GLU B 50 20.692 -7.431 9.270 1.00 1.12 O ATOM 2213 OE2 GLU B 50 18.738 -7.981 8.443 1.00 1.08 O ATOM 0 H GLU B 50 22.379 -5.208 5.047 1.00 0.61 H new ATOM 0 HA GLU B 50 20.109 -3.825 6.140 1.00 0.61 H new ATOM 0 HB2 GLU B 50 20.851 -6.383 6.081 1.00 0.68 H new ATOM 0 HB3 GLU B 50 21.775 -5.960 7.508 1.00 0.68 H new ATOM 0 HG2 GLU B 50 19.567 -5.058 8.482 1.00 0.86 H new ATOM 0 HG3 GLU B 50 18.770 -5.870 7.149 1.00 0.86 H new ATOM 2220 N ASN B 51 22.567 -2.449 7.054 1.00 0.67 N ATOM 2221 CA ASN B 51 23.229 -1.557 8.001 1.00 0.69 C ATOM 2222 C ASN B 51 23.257 -0.123 7.479 1.00 0.71 C ATOM 2223 O ASN B 51 23.865 0.758 8.091 1.00 0.96 O ATOM 2224 CB ASN B 51 24.661 -2.039 8.280 1.00 0.76 C ATOM 2225 CG ASN B 51 25.629 -1.708 7.155 1.00 0.86 C ATOM 2226 OD1 ASN B 51 25.281 -1.784 5.972 1.00 0.87 O ATOM 2227 ND2 ASN B 51 26.848 -1.334 7.512 1.00 1.20 N ATOM 0 H ASN B 51 22.815 -2.290 6.077 1.00 0.67 H new ATOM 0 HA ASN B 51 22.659 -1.574 8.930 1.00 0.69 H new ATOM 0 HB2 ASN B 51 25.018 -1.585 9.204 1.00 0.76 H new ATOM 0 HB3 ASN B 51 24.651 -3.117 8.438 1.00 0.76 H new ATOM 0 HD21 ASN B 51 27.538 -1.096 6.799 1.00 1.20 H new ATOM 0 HD22 ASN B 51 27.097 -1.284 8.500 1.00 1.20 H new ATOM 2234 N SER B 52 22.590 0.112 6.361 1.00 0.65 N ATOM 2235 CA SER B 52 22.565 1.437 5.764 1.00 0.67 C ATOM 2236 C SER B 52 21.397 2.272 6.282 1.00 0.63 C ATOM 2237 O SER B 52 20.333 1.746 6.617 1.00 0.68 O ATOM 2238 CB SER B 52 22.512 1.323 4.242 1.00 0.71 C ATOM 2239 OG SER B 52 23.638 0.611 3.756 1.00 0.86 O ATOM 0 H SER B 52 22.061 -0.594 5.850 1.00 0.65 H new ATOM 0 HA SER B 52 23.482 1.951 6.053 1.00 0.67 H new ATOM 0 HB2 SER B 52 21.596 0.815 3.942 1.00 0.71 H new ATOM 0 HB3 SER B 52 22.485 2.318 3.798 1.00 0.71 H new ATOM 0 HG SER B 52 23.961 1.032 2.932 1.00 0.86 H new ATOM 2245 N SER B 53 21.617 3.575 6.358 1.00 0.65 N ATOM 2246 CA SER B 53 20.604 4.497 6.827 1.00 0.64 C ATOM 2247 C SER B 53 19.841 5.105 5.646 1.00 0.57 C ATOM 2248 O SER B 53 20.266 4.983 4.491 1.00 0.58 O ATOM 2249 CB SER B 53 21.266 5.595 7.656 1.00 0.75 C ATOM 2250 OG SER B 53 22.428 5.106 8.315 1.00 0.89 O ATOM 0 H SER B 53 22.498 4.018 6.097 1.00 0.65 H new ATOM 0 HA SER B 53 19.889 3.958 7.448 1.00 0.64 H new ATOM 0 HB2 SER B 53 21.535 6.431 7.010 1.00 0.75 H new ATOM 0 HB3 SER B 53 20.559 5.976 8.393 1.00 0.75 H new ATOM 0 HG SER B 53 22.835 5.828 8.838 1.00 0.89 H new ATOM 2256 N VAL B 54 18.730 5.775 5.943 1.00 0.54 N ATOM 2257 CA VAL B 54 17.896 6.395 4.913 1.00 0.49 C ATOM 2258 C VAL B 54 18.656 7.482 4.152 1.00 0.48 C ATOM 2259 O VAL B 54 18.471 7.646 2.946 1.00 0.47 O ATOM 2260 CB VAL B 54 16.605 6.997 5.511 1.00 0.52 C ATOM 2261 CG1 VAL B 54 15.681 7.501 4.414 1.00 0.57 C ATOM 2262 CG2 VAL B 54 15.887 5.975 6.375 1.00 0.58 C ATOM 0 H VAL B 54 18.384 5.904 6.894 1.00 0.54 H new ATOM 0 HA VAL B 54 17.625 5.601 4.217 1.00 0.49 H new ATOM 0 HB VAL B 54 16.889 7.844 6.136 1.00 0.52 H new ATOM 0 HG11 VAL B 54 14.780 7.920 4.861 1.00 0.57 H new ATOM 0 HG12 VAL B 54 16.190 8.271 3.835 1.00 0.57 H new ATOM 0 HG13 VAL B 54 15.410 6.674 3.758 1.00 0.57 H new ATOM 0 HG21 VAL B 54 14.981 6.419 6.787 1.00 0.58 H new ATOM 0 HG22 VAL B 54 15.624 5.108 5.770 1.00 0.58 H new ATOM 0 HG23 VAL B 54 16.541 5.664 7.190 1.00 0.58 H new ATOM 2272 N GLN B 55 19.517 8.215 4.850 1.00 0.53 N ATOM 2273 CA GLN B 55 20.298 9.280 4.223 1.00 0.58 C ATOM 2274 C GLN B 55 21.134 8.735 3.063 1.00 0.58 C ATOM 2275 O GLN B 55 21.276 9.387 2.025 1.00 0.64 O ATOM 2276 CB GLN B 55 21.209 9.951 5.254 1.00 0.67 C ATOM 2277 CG GLN B 55 20.474 10.889 6.199 1.00 0.88 C ATOM 2278 CD GLN B 55 21.298 11.245 7.421 1.00 0.92 C ATOM 2279 OE1 GLN B 55 22.127 10.456 7.878 1.00 1.13 O ATOM 2280 NE2 GLN B 55 21.082 12.434 7.961 1.00 1.23 N ATOM 0 H GLN B 55 19.693 8.093 5.847 1.00 0.53 H new ATOM 0 HA GLN B 55 19.602 10.020 3.828 1.00 0.58 H new ATOM 0 HB2 GLN B 55 21.711 9.180 5.839 1.00 0.67 H new ATOM 0 HB3 GLN B 55 21.985 10.510 4.731 1.00 0.67 H new ATOM 0 HG2 GLN B 55 20.208 11.802 5.666 1.00 0.88 H new ATOM 0 HG3 GLN B 55 19.542 10.422 6.517 1.00 0.88 H new ATOM 0 HE21 GLN B 55 20.387 13.060 7.554 1.00 1.23 H new ATOM 0 HE22 GLN B 55 21.610 12.724 8.784 1.00 1.23 H new ATOM 2289 N GLN B 56 21.652 7.522 3.232 1.00 0.56 N ATOM 2290 CA GLN B 56 22.473 6.885 2.208 1.00 0.60 C ATOM 2291 C GLN B 56 21.605 6.378 1.056 1.00 0.55 C ATOM 2292 O GLN B 56 22.098 6.120 -0.044 1.00 0.62 O ATOM 2293 CB GLN B 56 23.269 5.726 2.816 1.00 0.65 C ATOM 2294 CG GLN B 56 24.677 5.589 2.258 1.00 0.80 C ATOM 2295 CD GLN B 56 25.567 6.754 2.645 1.00 1.02 C ATOM 2296 OE1 GLN B 56 26.206 6.743 3.695 1.00 1.35 O ATOM 2297 NE2 GLN B 56 25.623 7.765 1.796 1.00 1.27 N ATOM 0 H GLN B 56 21.517 6.959 4.072 1.00 0.56 H new ATOM 0 HA GLN B 56 23.168 7.627 1.815 1.00 0.60 H new ATOM 0 HB2 GLN B 56 23.328 5.865 3.896 1.00 0.65 H new ATOM 0 HB3 GLN B 56 22.728 4.796 2.643 1.00 0.65 H new ATOM 0 HG2 GLN B 56 25.120 4.661 2.620 1.00 0.80 H new ATOM 0 HG3 GLN B 56 24.629 5.517 1.171 1.00 0.80 H new ATOM 0 HE21 GLN B 56 25.078 7.738 0.934 1.00 1.27 H new ATOM 0 HE22 GLN B 56 26.211 8.572 2.002 1.00 1.27 H new ATOM 2306 N PHE B 57 20.314 6.238 1.323 1.00 0.50 N ATOM 2307 CA PHE B 57 19.360 5.769 0.328 1.00 0.49 C ATOM 2308 C PHE B 57 18.845 6.943 -0.502 1.00 0.47 C ATOM 2309 O PHE B 57 18.742 6.860 -1.728 1.00 0.49 O ATOM 2310 CB PHE B 57 18.195 5.056 1.021 1.00 0.48 C ATOM 2311 CG PHE B 57 17.330 4.249 0.092 1.00 0.50 C ATOM 2312 CD1 PHE B 57 17.885 3.269 -0.716 1.00 0.56 C ATOM 2313 CD2 PHE B 57 15.962 4.466 0.033 1.00 0.53 C ATOM 2314 CE1 PHE B 57 17.093 2.524 -1.568 1.00 0.64 C ATOM 2315 CE2 PHE B 57 15.165 3.722 -0.817 1.00 0.59 C ATOM 2316 CZ PHE B 57 15.734 2.749 -1.619 1.00 0.64 C ATOM 0 H PHE B 57 19.900 6.445 2.232 1.00 0.50 H new ATOM 0 HA PHE B 57 19.858 5.065 -0.339 1.00 0.49 H new ATOM 0 HB2 PHE B 57 18.593 4.398 1.793 1.00 0.48 H new ATOM 0 HB3 PHE B 57 17.576 5.799 1.524 1.00 0.48 H new ATOM 0 HD1 PHE B 57 18.949 3.086 -0.679 1.00 0.56 H new ATOM 0 HD2 PHE B 57 15.514 5.224 0.658 1.00 0.53 H new ATOM 0 HE1 PHE B 57 17.539 1.765 -2.194 1.00 0.64 H new ATOM 0 HE2 PHE B 57 14.100 3.900 -0.855 1.00 0.59 H new ATOM 0 HZ PHE B 57 15.114 2.166 -2.284 1.00 0.64 H new ATOM 2326 N LYS B 58 18.541 8.043 0.184 1.00 0.47 N ATOM 2327 CA LYS B 58 18.042 9.254 -0.461 1.00 0.48 C ATOM 2328 C LYS B 58 19.044 9.780 -1.480 1.00 0.49 C ATOM 2329 O LYS B 58 18.685 10.092 -2.616 1.00 0.53 O ATOM 2330 CB LYS B 58 17.771 10.338 0.583 1.00 0.53 C ATOM 2331 CG LYS B 58 16.652 9.996 1.553 1.00 0.62 C ATOM 2332 CD LYS B 58 16.673 10.919 2.762 1.00 0.70 C ATOM 2333 CE LYS B 58 16.331 12.350 2.380 1.00 0.77 C ATOM 2334 NZ LYS B 58 17.260 13.329 3.005 1.00 1.01 N ATOM 0 H LYS B 58 18.633 8.119 1.197 1.00 0.47 H new ATOM 0 HA LYS B 58 17.115 9.001 -0.974 1.00 0.48 H new ATOM 0 HB2 LYS B 58 18.685 10.520 1.148 1.00 0.53 H new ATOM 0 HB3 LYS B 58 17.522 11.267 0.071 1.00 0.53 H new ATOM 0 HG2 LYS B 58 15.690 10.077 1.047 1.00 0.62 H new ATOM 0 HG3 LYS B 58 16.754 8.961 1.880 1.00 0.62 H new ATOM 0 HD2 LYS B 58 15.962 10.561 3.506 1.00 0.70 H new ATOM 0 HD3 LYS B 58 17.660 10.891 3.225 1.00 0.70 H new ATOM 0 HE2 LYS B 58 16.369 12.455 1.296 1.00 0.77 H new ATOM 0 HE3 LYS B 58 15.309 12.573 2.686 1.00 0.77 H new ATOM 0 HZ1 LYS B 58 16.848 14.282 2.951 1.00 1.01 H new ATOM 0 HZ2 LYS B 58 17.414 13.074 4.002 1.00 1.01 H new ATOM 0 HZ3 LYS B 58 18.169 13.316 2.500 1.00 1.01 H new ATOM 2348 N GLU B 59 20.306 9.867 -1.069 1.00 0.51 N ATOM 2349 CA GLU B 59 21.367 10.370 -1.936 1.00 0.56 C ATOM 2350 C GLU B 59 21.654 9.415 -3.091 1.00 0.57 C ATOM 2351 O GLU B 59 22.250 9.802 -4.096 1.00 0.65 O ATOM 2352 CB GLU B 59 22.642 10.624 -1.133 1.00 0.63 C ATOM 2353 CG GLU B 59 22.638 11.952 -0.390 1.00 1.06 C ATOM 2354 CD GLU B 59 24.033 12.456 -0.091 1.00 0.97 C ATOM 2355 OE1 GLU B 59 24.896 12.410 -0.999 1.00 1.30 O ATOM 2356 OE2 GLU B 59 24.278 12.896 1.049 1.00 1.14 O ATOM 0 H GLU B 59 20.619 9.595 -0.137 1.00 0.51 H new ATOM 0 HA GLU B 59 21.021 11.312 -2.361 1.00 0.56 H new ATOM 0 HB2 GLU B 59 22.776 9.815 -0.415 1.00 0.63 H new ATOM 0 HB3 GLU B 59 23.498 10.597 -1.807 1.00 0.63 H new ATOM 0 HG2 GLU B 59 22.107 12.695 -0.985 1.00 1.06 H new ATOM 0 HG3 GLU B 59 22.088 11.840 0.544 1.00 1.06 H new ATOM 2363 N ALA B 60 21.226 8.170 -2.952 1.00 0.55 N ATOM 2364 CA ALA B 60 21.436 7.181 -3.996 1.00 0.57 C ATOM 2365 C ALA B 60 20.398 7.349 -5.099 1.00 0.56 C ATOM 2366 O ALA B 60 20.736 7.396 -6.282 1.00 0.59 O ATOM 2367 CB ALA B 60 21.384 5.775 -3.420 1.00 0.59 C ATOM 0 H ALA B 60 20.733 7.822 -2.130 1.00 0.55 H new ATOM 0 HA ALA B 60 22.426 7.335 -4.426 1.00 0.57 H new ATOM 0 HB1 ALA B 60 21.543 5.049 -4.217 1.00 0.59 H new ATOM 0 HB2 ALA B 60 22.162 5.662 -2.665 1.00 0.59 H new ATOM 0 HB3 ALA B 60 20.409 5.605 -2.964 1.00 0.59 H new ATOM 2373 N ILE B 61 19.134 7.470 -4.702 1.00 0.52 N ATOM 2374 CA ILE B 61 18.042 7.634 -5.655 1.00 0.52 C ATOM 2375 C ILE B 61 18.178 8.944 -6.433 1.00 0.55 C ATOM 2376 O ILE B 61 17.937 8.987 -7.639 1.00 0.59 O ATOM 2377 CB ILE B 61 16.665 7.601 -4.953 1.00 0.50 C ATOM 2378 CG1 ILE B 61 16.506 6.312 -4.144 1.00 0.51 C ATOM 2379 CG2 ILE B 61 15.539 7.726 -5.971 1.00 0.52 C ATOM 2380 CD1 ILE B 61 15.242 6.271 -3.313 1.00 0.56 C ATOM 0 H ILE B 61 18.841 7.457 -3.725 1.00 0.52 H new ATOM 0 HA ILE B 61 18.104 6.796 -6.349 1.00 0.52 H new ATOM 0 HB ILE B 61 16.610 8.450 -4.271 1.00 0.50 H new ATOM 0 HG12 ILE B 61 16.510 5.462 -4.826 1.00 0.51 H new ATOM 0 HG13 ILE B 61 17.367 6.197 -3.486 1.00 0.51 H new ATOM 0 HG21 ILE B 61 14.579 7.701 -5.456 1.00 0.52 H new ATOM 0 HG22 ILE B 61 15.638 8.669 -6.509 1.00 0.52 H new ATOM 0 HG23 ILE B 61 15.594 6.898 -6.678 1.00 0.52 H new ATOM 0 HD11 ILE B 61 15.196 5.329 -2.767 1.00 0.56 H new ATOM 0 HD12 ILE B 61 15.244 7.101 -2.606 1.00 0.56 H new ATOM 0 HD13 ILE B 61 14.374 6.354 -3.967 1.00 0.56 H new ATOM 2392 N SER B 62 18.595 10.000 -5.742 1.00 0.55 N ATOM 2393 CA SER B 62 18.757 11.311 -6.362 1.00 0.59 C ATOM 2394 C SER B 62 19.902 11.319 -7.375 1.00 0.63 C ATOM 2395 O SER B 62 19.972 12.193 -8.241 1.00 0.70 O ATOM 2396 CB SER B 62 19.002 12.370 -5.286 1.00 0.61 C ATOM 2397 OG SER B 62 19.840 11.862 -4.261 1.00 0.70 O ATOM 0 H SER B 62 18.828 9.973 -4.749 1.00 0.55 H new ATOM 0 HA SER B 62 17.837 11.542 -6.899 1.00 0.59 H new ATOM 0 HB2 SER B 62 19.461 13.251 -5.734 1.00 0.61 H new ATOM 0 HB3 SER B 62 18.051 12.689 -4.860 1.00 0.61 H new ATOM 0 HG SER B 62 19.290 11.437 -3.570 1.00 0.70 H new ATOM 2403 N LYS B 63 20.796 10.346 -7.266 1.00 0.63 N ATOM 2404 CA LYS B 63 21.925 10.251 -8.177 1.00 0.69 C ATOM 2405 C LYS B 63 21.629 9.266 -9.305 1.00 0.71 C ATOM 2406 O LYS B 63 21.915 9.542 -10.470 1.00 0.82 O ATOM 2407 CB LYS B 63 23.190 9.828 -7.422 1.00 0.72 C ATOM 2408 CG LYS B 63 24.479 10.092 -8.190 1.00 0.84 C ATOM 2409 CD LYS B 63 24.685 11.578 -8.448 1.00 1.00 C ATOM 2410 CE LYS B 63 25.909 12.112 -7.716 1.00 1.04 C ATOM 2411 NZ LYS B 63 27.175 11.730 -8.394 1.00 1.28 N ATOM 0 H LYS B 63 20.761 9.613 -6.557 1.00 0.63 H new ATOM 0 HA LYS B 63 22.092 11.235 -8.614 1.00 0.69 H new ATOM 0 HB2 LYS B 63 23.229 10.359 -6.471 1.00 0.72 H new ATOM 0 HB3 LYS B 63 23.126 8.765 -7.191 1.00 0.72 H new ATOM 0 HG2 LYS B 63 25.325 9.699 -7.627 1.00 0.84 H new ATOM 0 HG3 LYS B 63 24.453 9.558 -9.140 1.00 0.84 H new ATOM 0 HD2 LYS B 63 24.798 11.749 -9.519 1.00 1.00 H new ATOM 0 HD3 LYS B 63 23.801 12.129 -8.128 1.00 1.00 H new ATOM 0 HE2 LYS B 63 25.847 13.198 -7.650 1.00 1.04 H new ATOM 0 HE3 LYS B 63 25.915 11.731 -6.695 1.00 1.04 H new ATOM 0 HZ1 LYS B 63 27.983 12.114 -7.863 1.00 1.28 H new ATOM 0 HZ2 LYS B 63 27.248 10.693 -8.434 1.00 1.28 H new ATOM 0 HZ3 LYS B 63 27.181 12.115 -9.360 1.00 1.28 H new ATOM 2425 N ARG B 64 21.053 8.120 -8.957 1.00 0.67 N ATOM 2426 CA ARG B 64 20.720 7.096 -9.945 1.00 0.70 C ATOM 2427 C ARG B 64 19.508 7.498 -10.783 1.00 0.70 C ATOM 2428 O ARG B 64 19.563 7.483 -12.011 1.00 0.75 O ATOM 2429 CB ARG B 64 20.459 5.752 -9.260 1.00 0.70 C ATOM 2430 CG ARG B 64 21.713 5.079 -8.720 1.00 0.72 C ATOM 2431 CD ARG B 64 22.657 4.658 -9.837 1.00 0.81 C ATOM 2432 NE ARG B 64 23.660 5.680 -10.133 1.00 0.84 N ATOM 2433 CZ ARG B 64 24.859 5.741 -9.554 1.00 0.95 C ATOM 2434 NH1 ARG B 64 25.217 4.837 -8.651 1.00 1.05 N ATOM 2435 NH2 ARG B 64 25.705 6.705 -9.889 1.00 1.07 N ATOM 0 H ARG B 64 20.806 7.875 -7.998 1.00 0.67 H new ATOM 0 HA ARG B 64 21.575 6.996 -10.613 1.00 0.70 H new ATOM 0 HB2 ARG B 64 19.758 5.904 -8.439 1.00 0.70 H new ATOM 0 HB3 ARG B 64 19.976 5.081 -9.971 1.00 0.70 H new ATOM 0 HG2 ARG B 64 22.230 5.762 -8.046 1.00 0.72 H new ATOM 0 HG3 ARG B 64 21.432 4.204 -8.133 1.00 0.72 H new ATOM 0 HD2 ARG B 64 23.158 3.732 -9.556 1.00 0.81 H new ATOM 0 HD3 ARG B 64 22.080 4.448 -10.737 1.00 0.81 H new ATOM 0 HE ARG B 64 23.427 6.391 -10.826 1.00 0.84 H new ATOM 0 HH11 ARG B 64 24.573 4.089 -8.395 1.00 1.05 H new ATOM 0 HH12 ARG B 64 26.136 4.891 -8.212 1.00 1.05 H new ATOM 0 HH21 ARG B 64 25.438 7.398 -10.588 1.00 1.07 H new ATOM 0 HH22 ARG B 64 26.623 6.754 -9.447 1.00 1.07 H new ATOM 2449 N PHE B 65 18.419 7.860 -10.118 1.00 0.67 N ATOM 2450 CA PHE B 65 17.202 8.259 -10.813 1.00 0.68 C ATOM 2451 C PHE B 65 17.278 9.718 -11.230 1.00 0.70 C ATOM 2452 O PHE B 65 16.679 10.115 -12.231 1.00 0.75 O ATOM 2453 CB PHE B 65 15.980 8.039 -9.923 1.00 0.66 C ATOM 2454 CG PHE B 65 15.090 6.925 -10.390 1.00 0.68 C ATOM 2455 CD1 PHE B 65 15.388 5.613 -10.068 1.00 0.88 C ATOM 2456 CD2 PHE B 65 13.959 7.188 -11.145 1.00 0.82 C ATOM 2457 CE1 PHE B 65 14.575 4.580 -10.492 1.00 1.02 C ATOM 2458 CE2 PHE B 65 13.139 6.160 -11.568 1.00 0.97 C ATOM 2459 CZ PHE B 65 13.448 4.854 -11.241 1.00 1.00 C ATOM 0 H PHE B 65 18.353 7.886 -9.100 1.00 0.67 H new ATOM 0 HA PHE B 65 17.105 7.642 -11.706 1.00 0.68 H new ATOM 0 HB2 PHE B 65 16.314 7.825 -8.908 1.00 0.66 H new ATOM 0 HB3 PHE B 65 15.401 8.962 -9.880 1.00 0.66 H new ATOM 0 HD1 PHE B 65 16.266 5.394 -9.479 1.00 0.88 H new ATOM 0 HD2 PHE B 65 13.716 8.207 -11.406 1.00 0.82 H new ATOM 0 HE1 PHE B 65 14.821 3.559 -10.238 1.00 1.02 H new ATOM 0 HE2 PHE B 65 12.258 6.377 -12.153 1.00 0.97 H new ATOM 0 HZ PHE B 65 12.809 4.048 -11.571 1.00 1.00 H new ATOM 2469 N LYS B 66 18.025 10.502 -10.454 1.00 0.68 N ATOM 2470 CA LYS B 66 18.207 11.930 -10.710 1.00 0.71 C ATOM 2471 C LYS B 66 16.873 12.676 -10.639 1.00 0.70 C ATOM 2472 O LYS B 66 16.154 12.798 -11.631 1.00 0.83 O ATOM 2473 CB LYS B 66 18.882 12.159 -12.070 1.00 0.79 C ATOM 2474 CG LYS B 66 19.470 13.551 -12.242 1.00 0.93 C ATOM 2475 CD LYS B 66 20.379 13.626 -13.462 1.00 1.05 C ATOM 2476 CE LYS B 66 19.600 13.479 -14.759 1.00 1.07 C ATOM 2477 NZ LYS B 66 20.482 13.625 -15.950 1.00 1.27 N ATOM 0 H LYS B 66 18.522 10.165 -9.629 1.00 0.68 H new ATOM 0 HA LYS B 66 18.859 12.328 -9.932 1.00 0.71 H new ATOM 0 HB2 LYS B 66 19.675 11.422 -12.199 1.00 0.79 H new ATOM 0 HB3 LYS B 66 18.152 11.984 -12.860 1.00 0.79 H new ATOM 0 HG2 LYS B 66 18.664 14.278 -12.342 1.00 0.93 H new ATOM 0 HG3 LYS B 66 20.034 13.822 -11.349 1.00 0.93 H new ATOM 0 HD2 LYS B 66 20.908 14.579 -13.462 1.00 1.05 H new ATOM 0 HD3 LYS B 66 21.134 12.842 -13.401 1.00 1.05 H new ATOM 0 HE2 LYS B 66 19.114 12.504 -14.783 1.00 1.07 H new ATOM 0 HE3 LYS B 66 18.810 14.230 -14.797 1.00 1.07 H new ATOM 0 HZ1 LYS B 66 19.916 13.519 -16.816 1.00 1.27 H new ATOM 0 HZ2 LYS B 66 20.926 14.565 -15.940 1.00 1.27 H new ATOM 0 HZ3 LYS B 66 21.220 12.893 -15.927 1.00 1.27 H new ATOM 2491 N SER B 67 16.545 13.166 -9.451 1.00 0.66 N ATOM 2492 CA SER B 67 15.304 13.896 -9.242 1.00 0.68 C ATOM 2493 C SER B 67 15.471 14.886 -8.085 1.00 0.69 C ATOM 2494 O SER B 67 15.979 15.992 -8.283 1.00 0.90 O ATOM 2495 CB SER B 67 14.146 12.916 -8.987 1.00 0.68 C ATOM 2496 OG SER B 67 12.896 13.487 -9.327 1.00 1.34 O ATOM 0 H SER B 67 17.123 13.070 -8.616 1.00 0.66 H new ATOM 0 HA SER B 67 15.062 14.465 -10.140 1.00 0.68 H new ATOM 0 HB2 SER B 67 14.302 12.008 -9.569 1.00 0.68 H new ATOM 0 HB3 SER B 67 14.140 12.624 -7.937 1.00 0.68 H new ATOM 0 HG SER B 67 12.561 14.015 -8.572 1.00 1.34 H new ATOM 2502 N GLN B 68 15.076 14.481 -6.880 1.00 0.59 N ATOM 2503 CA GLN B 68 15.189 15.331 -5.702 1.00 0.59 C ATOM 2504 C GLN B 68 15.795 14.536 -4.554 1.00 0.54 C ATOM 2505 O GLN B 68 16.005 13.327 -4.676 1.00 0.52 O ATOM 2506 CB GLN B 68 13.819 15.879 -5.289 1.00 0.64 C ATOM 2507 CG GLN B 68 13.325 17.019 -6.166 1.00 0.79 C ATOM 2508 CD GLN B 68 12.280 16.574 -7.170 1.00 0.85 C ATOM 2509 OE1 GLN B 68 12.236 15.407 -7.565 1.00 1.14 O ATOM 2510 NE2 GLN B 68 11.440 17.501 -7.595 1.00 1.09 N ATOM 0 H GLN B 68 14.672 13.563 -6.696 1.00 0.59 H new ATOM 0 HA GLN B 68 15.836 16.174 -5.945 1.00 0.59 H new ATOM 0 HB2 GLN B 68 13.090 15.069 -5.317 1.00 0.64 H new ATOM 0 HB3 GLN B 68 13.872 16.224 -4.256 1.00 0.64 H new ATOM 0 HG2 GLN B 68 12.906 17.802 -5.535 1.00 0.79 H new ATOM 0 HG3 GLN B 68 14.171 17.456 -6.697 1.00 0.79 H new ATOM 0 HE21 GLN B 68 11.512 18.455 -7.242 1.00 1.09 H new ATOM 0 HE22 GLN B 68 10.719 17.263 -8.276 1.00 1.09 H new ATOM 2519 N THR B 69 16.070 15.210 -3.446 1.00 0.56 N ATOM 2520 CA THR B 69 16.653 14.560 -2.283 1.00 0.56 C ATOM 2521 C THR B 69 15.991 15.034 -0.990 1.00 0.54 C ATOM 2522 O THR B 69 15.533 14.225 -0.187 1.00 0.55 O ATOM 2523 CB THR B 69 18.167 14.827 -2.202 1.00 0.63 C ATOM 2524 OG1 THR B 69 18.692 15.039 -3.521 1.00 0.74 O ATOM 2525 CG2 THR B 69 18.884 13.656 -1.545 1.00 0.70 C ATOM 0 H THR B 69 15.898 16.209 -3.329 1.00 0.56 H new ATOM 0 HA THR B 69 16.481 13.490 -2.397 1.00 0.56 H new ATOM 0 HB THR B 69 18.331 15.718 -1.597 1.00 0.63 H new ATOM 0 HG1 THR B 69 19.655 15.210 -3.466 1.00 0.74 H new ATOM 0 HG21 THR B 69 19.953 13.864 -1.497 1.00 0.70 H new ATOM 0 HG22 THR B 69 18.497 13.512 -0.536 1.00 0.70 H new ATOM 0 HG23 THR B 69 18.716 12.752 -2.130 1.00 0.70 H new ATOM 2533 N ASP B 70 15.932 16.351 -0.807 1.00 0.56 N ATOM 2534 CA ASP B 70 15.339 16.941 0.393 1.00 0.58 C ATOM 2535 C ASP B 70 13.835 16.689 0.439 1.00 0.55 C ATOM 2536 O ASP B 70 13.276 16.376 1.488 1.00 0.57 O ATOM 2537 CB ASP B 70 15.622 18.449 0.439 1.00 0.66 C ATOM 2538 CG ASP B 70 15.009 19.133 1.652 1.00 0.76 C ATOM 2539 OD1 ASP B 70 13.814 19.492 1.603 1.00 0.95 O ATOM 2540 OD2 ASP B 70 15.732 19.338 2.651 1.00 0.99 O ATOM 0 H ASP B 70 16.289 17.033 -1.476 1.00 0.56 H new ATOM 0 HA ASP B 70 15.793 16.467 1.264 1.00 0.58 H new ATOM 0 HB2 ASP B 70 16.700 18.611 0.444 1.00 0.66 H new ATOM 0 HB3 ASP B 70 15.234 18.914 -0.468 1.00 0.66 H new ATOM 2545 N GLN B 71 13.185 16.826 -0.708 1.00 0.56 N ATOM 2546 CA GLN B 71 11.746 16.613 -0.795 1.00 0.58 C ATOM 2547 C GLN B 71 11.425 15.162 -1.142 1.00 0.54 C ATOM 2548 O GLN B 71 10.261 14.785 -1.248 1.00 0.66 O ATOM 2549 CB GLN B 71 11.127 17.559 -1.827 1.00 0.65 C ATOM 2550 CG GLN B 71 10.347 18.702 -1.199 1.00 0.83 C ATOM 2551 CD GLN B 71 9.856 19.706 -2.221 1.00 0.92 C ATOM 2552 OE1 GLN B 71 8.758 19.573 -2.762 1.00 1.13 O ATOM 2553 NE2 GLN B 71 10.660 20.719 -2.487 1.00 1.18 N ATOM 0 H GLN B 71 13.629 17.083 -1.590 1.00 0.56 H new ATOM 0 HA GLN B 71 11.314 16.830 0.182 1.00 0.58 H new ATOM 0 HB2 GLN B 71 11.918 17.969 -2.455 1.00 0.65 H new ATOM 0 HB3 GLN B 71 10.464 16.991 -2.480 1.00 0.65 H new ATOM 0 HG2 GLN B 71 9.494 18.298 -0.654 1.00 0.83 H new ATOM 0 HG3 GLN B 71 10.979 19.211 -0.471 1.00 0.83 H new ATOM 0 HE21 GLN B 71 11.562 20.792 -2.016 1.00 1.18 H new ATOM 0 HE22 GLN B 71 10.379 21.429 -3.163 1.00 1.18 H new ATOM 2562 N LEU B 72 12.458 14.347 -1.307 1.00 0.51 N ATOM 2563 CA LEU B 72 12.268 12.947 -1.641 1.00 0.49 C ATOM 2564 C LEU B 72 11.853 12.172 -0.397 1.00 0.43 C ATOM 2565 O LEU B 72 12.647 11.991 0.529 1.00 0.51 O ATOM 2566 CB LEU B 72 13.550 12.358 -2.229 1.00 0.57 C ATOM 2567 CG LEU B 72 13.338 11.299 -3.310 1.00 0.72 C ATOM 2568 CD1 LEU B 72 12.859 11.944 -4.603 1.00 0.88 C ATOM 2569 CD2 LEU B 72 14.621 10.515 -3.540 1.00 1.00 C ATOM 0 H LEU B 72 13.433 14.633 -1.215 1.00 0.51 H new ATOM 0 HA LEU B 72 11.480 12.868 -2.390 1.00 0.49 H new ATOM 0 HB2 LEU B 72 14.146 13.169 -2.648 1.00 0.57 H new ATOM 0 HB3 LEU B 72 14.134 11.918 -1.421 1.00 0.57 H new ATOM 0 HG LEU B 72 12.568 10.605 -2.972 1.00 0.72 H new ATOM 0 HD11 LEU B 72 12.713 11.175 -5.361 1.00 0.88 H new ATOM 0 HD12 LEU B 72 11.916 12.460 -4.424 1.00 0.88 H new ATOM 0 HD13 LEU B 72 13.604 12.659 -4.951 1.00 0.88 H new ATOM 0 HD21 LEU B 72 14.455 9.764 -4.313 1.00 1.00 H new ATOM 0 HD22 LEU B 72 15.411 11.195 -3.859 1.00 1.00 H new ATOM 0 HD23 LEU B 72 14.918 10.023 -2.614 1.00 1.00 H new ATOM 2581 N VAL B 73 10.606 11.727 -0.364 1.00 0.37 N ATOM 2582 CA VAL B 73 10.102 10.998 0.787 1.00 0.35 C ATOM 2583 C VAL B 73 9.612 9.605 0.408 1.00 0.30 C ATOM 2584 O VAL B 73 8.800 9.449 -0.508 1.00 0.31 O ATOM 2585 CB VAL B 73 8.948 11.761 1.477 1.00 0.42 C ATOM 2586 CG1 VAL B 73 8.554 11.090 2.780 1.00 0.46 C ATOM 2587 CG2 VAL B 73 9.329 13.211 1.721 1.00 0.55 C ATOM 0 H VAL B 73 9.929 11.857 -1.116 1.00 0.37 H new ATOM 0 HA VAL B 73 10.940 10.903 1.478 1.00 0.35 H new ATOM 0 HB VAL B 73 8.087 11.739 0.809 1.00 0.42 H new ATOM 0 HG11 VAL B 73 7.740 11.647 3.245 1.00 0.46 H new ATOM 0 HG12 VAL B 73 8.227 10.070 2.580 1.00 0.46 H new ATOM 0 HG13 VAL B 73 9.411 11.071 3.453 1.00 0.46 H new ATOM 0 HG21 VAL B 73 8.502 13.728 2.207 1.00 0.55 H new ATOM 0 HG22 VAL B 73 10.210 13.253 2.362 1.00 0.55 H new ATOM 0 HG23 VAL B 73 9.549 13.694 0.769 1.00 0.55 H new ATOM 2597 N LEU B 74 10.126 8.602 1.109 1.00 0.30 N ATOM 2598 CA LEU B 74 9.713 7.223 0.888 1.00 0.29 C ATOM 2599 C LEU B 74 8.456 6.962 1.711 1.00 0.28 C ATOM 2600 O LEU B 74 8.345 7.437 2.840 1.00 0.36 O ATOM 2601 CB LEU B 74 10.826 6.244 1.290 1.00 0.33 C ATOM 2602 CG LEU B 74 11.896 5.963 0.226 1.00 0.42 C ATOM 2603 CD1 LEU B 74 11.265 5.494 -1.075 1.00 0.57 C ATOM 2604 CD2 LEU B 74 12.763 7.193 -0.011 1.00 0.64 C ATOM 0 H LEU B 74 10.831 8.719 1.837 1.00 0.30 H new ATOM 0 HA LEU B 74 9.508 7.069 -0.172 1.00 0.29 H new ATOM 0 HB2 LEU B 74 11.321 6.634 2.179 1.00 0.33 H new ATOM 0 HB3 LEU B 74 10.365 5.297 1.571 1.00 0.33 H new ATOM 0 HG LEU B 74 12.534 5.162 0.600 1.00 0.42 H new ATOM 0 HD11 LEU B 74 12.047 5.303 -1.810 1.00 0.57 H new ATOM 0 HD12 LEU B 74 10.702 4.578 -0.897 1.00 0.57 H new ATOM 0 HD13 LEU B 74 10.593 6.265 -1.452 1.00 0.57 H new ATOM 0 HD21 LEU B 74 13.513 6.969 -0.769 1.00 0.64 H new ATOM 0 HD22 LEU B 74 12.138 8.018 -0.352 1.00 0.64 H new ATOM 0 HD23 LEU B 74 13.259 7.473 0.918 1.00 0.64 H new ATOM 2616 N ILE B 75 7.506 6.229 1.150 1.00 0.29 N ATOM 2617 CA ILE B 75 6.250 5.956 1.842 1.00 0.33 C ATOM 2618 C ILE B 75 6.066 4.475 2.132 1.00 0.31 C ATOM 2619 O ILE B 75 6.242 3.638 1.246 1.00 0.36 O ATOM 2620 CB ILE B 75 5.044 6.439 1.009 1.00 0.43 C ATOM 2621 CG1 ILE B 75 5.209 7.911 0.618 1.00 0.47 C ATOM 2622 CG2 ILE B 75 3.747 6.219 1.776 1.00 0.54 C ATOM 2623 CD1 ILE B 75 5.509 8.829 1.785 1.00 0.74 C ATOM 0 H ILE B 75 7.578 5.813 0.221 1.00 0.29 H new ATOM 0 HA ILE B 75 6.298 6.500 2.786 1.00 0.33 H new ATOM 0 HB ILE B 75 5.000 5.853 0.091 1.00 0.43 H new ATOM 0 HG12 ILE B 75 6.014 7.994 -0.112 1.00 0.47 H new ATOM 0 HG13 ILE B 75 4.297 8.250 0.127 1.00 0.47 H new ATOM 0 HG21 ILE B 75 2.906 6.565 1.175 1.00 0.54 H new ATOM 0 HG22 ILE B 75 3.627 5.157 1.991 1.00 0.54 H new ATOM 0 HG23 ILE B 75 3.778 6.777 2.712 1.00 0.54 H new ATOM 0 HD11 ILE B 75 5.612 9.853 1.425 1.00 0.74 H new ATOM 0 HD12 ILE B 75 4.694 8.778 2.507 1.00 0.74 H new ATOM 0 HD13 ILE B 75 6.438 8.518 2.263 1.00 0.74 H new ATOM 2635 N PHE B 76 5.691 4.159 3.367 1.00 0.31 N ATOM 2636 CA PHE B 76 5.459 2.778 3.762 1.00 0.35 C ATOM 2637 C PHE B 76 4.078 2.618 4.415 1.00 0.31 C ATOM 2638 O PHE B 76 3.970 2.300 5.601 1.00 0.40 O ATOM 2639 CB PHE B 76 6.566 2.285 4.705 1.00 0.48 C ATOM 2640 CG PHE B 76 6.417 0.840 5.110 1.00 0.55 C ATOM 2641 CD1 PHE B 76 6.247 -0.146 4.151 1.00 0.65 C ATOM 2642 CD2 PHE B 76 6.431 0.475 6.448 1.00 0.62 C ATOM 2643 CE1 PHE B 76 6.093 -1.468 4.517 1.00 0.77 C ATOM 2644 CE2 PHE B 76 6.279 -0.848 6.820 1.00 0.72 C ATOM 2645 CZ PHE B 76 6.110 -1.821 5.853 1.00 0.78 C ATOM 0 H PHE B 76 5.542 4.842 4.110 1.00 0.31 H new ATOM 0 HA PHE B 76 5.481 2.164 2.862 1.00 0.35 H new ATOM 0 HB2 PHE B 76 7.532 2.419 4.219 1.00 0.48 H new ATOM 0 HB3 PHE B 76 6.571 2.906 5.601 1.00 0.48 H new ATOM 0 HD1 PHE B 76 6.235 0.123 3.105 1.00 0.65 H new ATOM 0 HD2 PHE B 76 6.562 1.232 7.207 1.00 0.62 H new ATOM 0 HE1 PHE B 76 5.959 -2.226 3.760 1.00 0.77 H new ATOM 0 HE2 PHE B 76 6.292 -1.121 7.865 1.00 0.72 H new ATOM 0 HZ PHE B 76 5.991 -2.855 6.141 1.00 0.78 H new ATOM 2655 N ALA B 77 3.032 2.901 3.636 1.00 0.40 N ATOM 2656 CA ALA B 77 1.641 2.752 4.078 1.00 0.48 C ATOM 2657 C ALA B 77 1.303 3.587 5.314 1.00 0.41 C ATOM 2658 O ALA B 77 1.411 3.116 6.449 1.00 0.44 O ATOM 2659 CB ALA B 77 1.331 1.283 4.329 1.00 0.62 C ATOM 0 H ALA B 77 3.124 3.241 2.679 1.00 0.40 H new ATOM 0 HA ALA B 77 1.013 3.133 3.272 1.00 0.48 H new ATOM 0 HB1 ALA B 77 0.297 1.180 4.657 1.00 0.62 H new ATOM 0 HB2 ALA B 77 1.478 0.718 3.409 1.00 0.62 H new ATOM 0 HB3 ALA B 77 1.996 0.898 5.102 1.00 0.62 H new ATOM 2665 N GLY B 78 0.882 4.826 5.087 1.00 0.46 N ATOM 2666 CA GLY B 78 0.512 5.700 6.185 1.00 0.54 C ATOM 2667 C GLY B 78 1.694 6.156 7.019 1.00 0.50 C ATOM 2668 O GLY B 78 1.511 6.699 8.111 1.00 0.63 O ATOM 0 H GLY B 78 0.790 5.242 4.160 1.00 0.46 H new ATOM 0 HA2 GLY B 78 -0.000 6.575 5.786 1.00 0.54 H new ATOM 0 HA3 GLY B 78 -0.198 5.181 6.829 1.00 0.54 H new ATOM 2672 N LYS B 79 2.898 5.944 6.509 1.00 0.42 N ATOM 2673 CA LYS B 79 4.107 6.336 7.215 1.00 0.43 C ATOM 2674 C LYS B 79 5.132 6.891 6.235 1.00 0.39 C ATOM 2675 O LYS B 79 5.329 6.329 5.155 1.00 0.43 O ATOM 2676 CB LYS B 79 4.697 5.138 7.961 1.00 0.50 C ATOM 2677 CG LYS B 79 4.297 5.073 9.426 1.00 0.72 C ATOM 2678 CD LYS B 79 2.818 5.371 9.609 1.00 1.16 C ATOM 2679 CE LYS B 79 2.390 5.228 11.062 1.00 1.57 C ATOM 2680 NZ LYS B 79 0.985 5.667 11.271 1.00 2.02 N ATOM 0 H LYS B 79 3.063 5.501 5.605 1.00 0.42 H new ATOM 0 HA LYS B 79 3.851 7.111 7.937 1.00 0.43 H new ATOM 0 HB2 LYS B 79 4.379 4.220 7.466 1.00 0.50 H new ATOM 0 HB3 LYS B 79 5.784 5.178 7.892 1.00 0.50 H new ATOM 0 HG2 LYS B 79 4.522 4.083 9.823 1.00 0.72 H new ATOM 0 HG3 LYS B 79 4.888 5.788 9.998 1.00 0.72 H new ATOM 0 HD2 LYS B 79 2.606 6.383 9.265 1.00 1.16 H new ATOM 0 HD3 LYS B 79 2.231 4.694 8.989 1.00 1.16 H new ATOM 0 HE2 LYS B 79 2.495 4.188 11.371 1.00 1.57 H new ATOM 0 HE3 LYS B 79 3.053 5.817 11.696 1.00 1.57 H new ATOM 0 HZ1 LYS B 79 0.877 6.039 12.236 1.00 2.02 H new ATOM 0 HZ2 LYS B 79 0.748 6.412 10.585 1.00 2.02 H new ATOM 0 HZ3 LYS B 79 0.345 4.858 11.138 1.00 2.02 H new ATOM 2694 N ILE B 80 5.768 7.992 6.611 1.00 0.37 N ATOM 2695 CA ILE B 80 6.776 8.614 5.767 1.00 0.39 C ATOM 2696 C ILE B 80 8.177 8.283 6.270 1.00 0.39 C ATOM 2697 O ILE B 80 8.423 8.250 7.476 1.00 0.61 O ATOM 2698 CB ILE B 80 6.608 10.149 5.697 1.00 0.52 C ATOM 2699 CG1 ILE B 80 6.634 10.766 7.097 1.00 0.67 C ATOM 2700 CG2 ILE B 80 5.317 10.512 4.981 1.00 0.97 C ATOM 2701 CD1 ILE B 80 6.735 12.275 7.091 1.00 1.18 C ATOM 0 H ILE B 80 5.603 8.472 7.496 1.00 0.37 H new ATOM 0 HA ILE B 80 6.640 8.210 4.764 1.00 0.39 H new ATOM 0 HB ILE B 80 7.446 10.555 5.130 1.00 0.52 H new ATOM 0 HG12 ILE B 80 5.730 10.473 7.631 1.00 0.67 H new ATOM 0 HG13 ILE B 80 7.479 10.356 7.650 1.00 0.67 H new ATOM 0 HG21 ILE B 80 5.216 11.597 4.941 1.00 0.97 H new ATOM 0 HG22 ILE B 80 5.338 10.112 3.967 1.00 0.97 H new ATOM 0 HG23 ILE B 80 4.470 10.088 5.521 1.00 0.97 H new ATOM 0 HD11 ILE B 80 6.748 12.643 8.117 1.00 1.18 H new ATOM 0 HD12 ILE B 80 7.653 12.576 6.585 1.00 1.18 H new ATOM 0 HD13 ILE B 80 5.877 12.695 6.566 1.00 1.18 H new ATOM 2713 N LEU B 81 9.079 8.016 5.345 1.00 0.30 N ATOM 2714 CA LEU B 81 10.452 7.688 5.687 1.00 0.34 C ATOM 2715 C LEU B 81 11.371 8.859 5.366 1.00 0.36 C ATOM 2716 O LEU B 81 11.206 9.525 4.337 1.00 0.46 O ATOM 2717 CB LEU B 81 10.916 6.447 4.920 1.00 0.44 C ATOM 2718 CG LEU B 81 10.487 5.102 5.509 1.00 0.57 C ATOM 2719 CD1 LEU B 81 9.026 4.818 5.202 1.00 1.01 C ATOM 2720 CD2 LEU B 81 11.368 3.989 4.969 1.00 0.78 C ATOM 0 H LEU B 81 8.885 8.020 4.344 1.00 0.30 H new ATOM 0 HA LEU B 81 10.496 7.480 6.756 1.00 0.34 H new ATOM 0 HB2 LEU B 81 10.539 6.512 3.899 1.00 0.44 H new ATOM 0 HB3 LEU B 81 12.004 6.466 4.860 1.00 0.44 H new ATOM 0 HG LEU B 81 10.603 5.148 6.592 1.00 0.57 H new ATOM 0 HD11 LEU B 81 8.744 3.856 5.631 1.00 1.01 H new ATOM 0 HD12 LEU B 81 8.404 5.603 5.632 1.00 1.01 H new ATOM 0 HD13 LEU B 81 8.880 4.790 4.122 1.00 1.01 H new ATOM 0 HD21 LEU B 81 11.053 3.036 5.395 1.00 0.78 H new ATOM 0 HD22 LEU B 81 11.278 3.948 3.883 1.00 0.78 H new ATOM 0 HD23 LEU B 81 12.406 4.182 5.240 1.00 0.78 H new ATOM 2732 N LYS B 82 12.324 9.113 6.247 1.00 0.39 N ATOM 2733 CA LYS B 82 13.271 10.203 6.063 1.00 0.47 C ATOM 2734 C LYS B 82 14.469 10.007 6.987 1.00 0.49 C ATOM 2735 O LYS B 82 14.707 8.907 7.476 1.00 0.63 O ATOM 2736 CB LYS B 82 12.599 11.555 6.335 1.00 0.54 C ATOM 2737 CG LYS B 82 13.013 12.646 5.357 1.00 0.94 C ATOM 2738 CD LYS B 82 12.313 13.964 5.651 1.00 1.01 C ATOM 2739 CE LYS B 82 10.879 13.968 5.138 1.00 1.22 C ATOM 2740 NZ LYS B 82 10.211 15.274 5.377 1.00 1.35 N ATOM 0 H LYS B 82 12.464 8.576 7.103 1.00 0.39 H new ATOM 0 HA LYS B 82 13.616 10.198 5.029 1.00 0.47 H new ATOM 0 HB2 LYS B 82 11.517 11.430 6.291 1.00 0.54 H new ATOM 0 HB3 LYS B 82 12.842 11.875 7.348 1.00 0.54 H new ATOM 0 HG2 LYS B 82 14.092 12.789 5.407 1.00 0.94 H new ATOM 0 HG3 LYS B 82 12.780 12.330 4.340 1.00 0.94 H new ATOM 0 HD2 LYS B 82 12.315 14.145 6.726 1.00 1.01 H new ATOM 0 HD3 LYS B 82 12.867 14.781 5.189 1.00 1.01 H new ATOM 0 HE2 LYS B 82 10.874 13.747 4.071 1.00 1.22 H new ATOM 0 HE3 LYS B 82 10.315 13.176 5.630 1.00 1.22 H new ATOM 0 HZ1 LYS B 82 9.237 15.237 5.014 1.00 1.35 H new ATOM 0 HZ2 LYS B 82 10.193 15.473 6.398 1.00 1.35 H new ATOM 0 HZ3 LYS B 82 10.735 16.027 4.887 1.00 1.35 H new ATOM 2754 N ASP B 83 15.201 11.080 7.248 1.00 0.60 N ATOM 2755 CA ASP B 83 16.380 11.023 8.114 1.00 0.68 C ATOM 2756 C ASP B 83 15.978 10.999 9.586 1.00 0.68 C ATOM 2757 O ASP B 83 16.794 11.272 10.467 1.00 0.89 O ATOM 2758 CB ASP B 83 17.303 12.223 7.859 1.00 0.88 C ATOM 2759 CG ASP B 83 16.923 13.019 6.625 1.00 1.20 C ATOM 2760 OD1 ASP B 83 15.870 13.693 6.646 1.00 1.52 O ATOM 2761 OD2 ASP B 83 17.673 12.978 5.630 1.00 1.56 O ATOM 0 H ASP B 83 15.002 12.007 6.873 1.00 0.60 H new ATOM 0 HA ASP B 83 16.914 10.103 7.877 1.00 0.68 H new ATOM 0 HB2 ASP B 83 17.282 12.880 8.728 1.00 0.88 H new ATOM 0 HB3 ASP B 83 18.328 11.868 7.753 1.00 0.88 H new ATOM 2766 N GLN B 84 14.728 10.658 9.846 1.00 0.60 N ATOM 2767 CA GLN B 84 14.210 10.603 11.204 1.00 0.67 C ATOM 2768 C GLN B 84 14.033 9.155 11.652 1.00 0.61 C ATOM 2769 O GLN B 84 14.064 8.854 12.847 1.00 0.81 O ATOM 2770 CB GLN B 84 12.878 11.352 11.290 1.00 0.77 C ATOM 2771 CG GLN B 84 13.007 12.835 10.981 1.00 0.93 C ATOM 2772 CD GLN B 84 11.820 13.386 10.210 1.00 1.13 C ATOM 2773 OE1 GLN B 84 10.683 12.930 10.373 1.00 1.32 O ATOM 2774 NE2 GLN B 84 12.079 14.371 9.362 1.00 1.28 N ATOM 0 H GLN B 84 14.046 10.413 9.128 1.00 0.60 H new ATOM 0 HA GLN B 84 14.928 11.083 11.869 1.00 0.67 H new ATOM 0 HB2 GLN B 84 12.169 10.902 10.594 1.00 0.77 H new ATOM 0 HB3 GLN B 84 12.463 11.230 12.291 1.00 0.77 H new ATOM 0 HG2 GLN B 84 13.115 13.387 11.915 1.00 0.93 H new ATOM 0 HG3 GLN B 84 13.917 13.003 10.405 1.00 0.93 H new ATOM 0 HE21 GLN B 84 13.033 14.717 9.259 1.00 1.28 H new ATOM 0 HE22 GLN B 84 11.325 14.783 8.813 1.00 1.28 H new ATOM 2783 N ASP B 85 13.853 8.269 10.687 1.00 0.52 N ATOM 2784 CA ASP B 85 13.670 6.850 10.963 1.00 0.51 C ATOM 2785 C ASP B 85 14.713 6.038 10.203 1.00 0.44 C ATOM 2786 O ASP B 85 15.611 6.604 9.581 1.00 0.48 O ATOM 2787 CB ASP B 85 12.253 6.403 10.574 1.00 0.61 C ATOM 2788 CG ASP B 85 12.012 6.435 9.077 1.00 0.68 C ATOM 2789 OD1 ASP B 85 12.240 7.494 8.454 1.00 0.76 O ATOM 2790 OD2 ASP B 85 11.583 5.397 8.528 1.00 0.86 O ATOM 0 H ASP B 85 13.829 8.508 9.696 1.00 0.52 H new ATOM 0 HA ASP B 85 13.798 6.679 12.032 1.00 0.51 H new ATOM 0 HB2 ASP B 85 12.083 5.391 10.942 1.00 0.61 H new ATOM 0 HB3 ASP B 85 11.526 7.048 11.067 1.00 0.61 H new ATOM 2795 N THR B 86 14.618 4.718 10.275 1.00 0.49 N ATOM 2796 CA THR B 86 15.568 3.853 9.582 1.00 0.47 C ATOM 2797 C THR B 86 14.838 2.874 8.666 1.00 0.42 C ATOM 2798 O THR B 86 13.980 2.115 9.114 1.00 0.41 O ATOM 2799 CB THR B 86 16.450 3.076 10.578 1.00 0.54 C ATOM 2800 OG1 THR B 86 16.793 3.921 11.686 1.00 0.67 O ATOM 2801 CG2 THR B 86 17.723 2.586 9.904 1.00 0.67 C ATOM 0 H THR B 86 13.899 4.223 10.802 1.00 0.49 H new ATOM 0 HA THR B 86 16.212 4.493 8.979 1.00 0.47 H new ATOM 0 HB THR B 86 15.887 2.213 10.933 1.00 0.54 H new ATOM 0 HG1 THR B 86 17.352 3.422 12.317 1.00 0.67 H new ATOM 0 HG21 THR B 86 18.330 2.040 10.626 1.00 0.67 H new ATOM 0 HG22 THR B 86 17.465 1.927 9.075 1.00 0.67 H new ATOM 0 HG23 THR B 86 18.287 3.439 9.527 1.00 0.67 H new ATOM 2809 N LEU B 87 15.188 2.905 7.383 1.00 0.43 N ATOM 2810 CA LEU B 87 14.569 2.046 6.371 1.00 0.42 C ATOM 2811 C LEU B 87 14.647 0.564 6.741 1.00 0.42 C ATOM 2812 O LEU B 87 13.643 -0.147 6.693 1.00 0.44 O ATOM 2813 CB LEU B 87 15.243 2.272 5.013 1.00 0.51 C ATOM 2814 CG LEU B 87 14.667 1.455 3.852 1.00 0.52 C ATOM 2815 CD1 LEU B 87 13.977 2.361 2.843 1.00 0.61 C ATOM 2816 CD2 LEU B 87 15.763 0.640 3.176 1.00 0.66 C ATOM 0 H LEU B 87 15.908 3.525 7.013 1.00 0.43 H new ATOM 0 HA LEU B 87 13.515 2.317 6.317 1.00 0.42 H new ATOM 0 HB2 LEU B 87 15.171 3.330 4.762 1.00 0.51 H new ATOM 0 HB3 LEU B 87 16.303 2.039 5.109 1.00 0.51 H new ATOM 0 HG LEU B 87 13.924 0.767 4.256 1.00 0.52 H new ATOM 0 HD11 LEU B 87 13.576 1.759 2.028 1.00 0.61 H new ATOM 0 HD12 LEU B 87 13.164 2.897 3.332 1.00 0.61 H new ATOM 0 HD13 LEU B 87 14.696 3.077 2.445 1.00 0.61 H new ATOM 0 HD21 LEU B 87 15.335 0.066 2.354 1.00 0.66 H new ATOM 0 HD22 LEU B 87 16.530 1.311 2.789 1.00 0.66 H new ATOM 0 HD23 LEU B 87 16.209 -0.041 3.900 1.00 0.66 H new ATOM 2828 N ILE B 88 15.831 0.118 7.136 1.00 0.47 N ATOM 2829 CA ILE B 88 16.060 -1.282 7.496 1.00 0.53 C ATOM 2830 C ILE B 88 15.481 -1.635 8.868 1.00 0.54 C ATOM 2831 O ILE B 88 15.729 -2.722 9.386 1.00 0.66 O ATOM 2832 CB ILE B 88 17.573 -1.608 7.499 1.00 0.62 C ATOM 2833 CG1 ILE B 88 18.321 -0.700 8.479 1.00 0.65 C ATOM 2834 CG2 ILE B 88 18.151 -1.464 6.101 1.00 0.67 C ATOM 2835 CD1 ILE B 88 18.999 -1.448 9.603 1.00 0.91 C ATOM 0 H ILE B 88 16.658 0.709 7.217 1.00 0.47 H new ATOM 0 HA ILE B 88 15.548 -1.878 6.741 1.00 0.53 H new ATOM 0 HB ILE B 88 17.698 -2.641 7.823 1.00 0.62 H new ATOM 0 HG12 ILE B 88 19.070 -0.128 7.931 1.00 0.65 H new ATOM 0 HG13 ILE B 88 17.619 0.018 8.903 1.00 0.65 H new ATOM 0 HG21 ILE B 88 19.216 -1.697 6.122 1.00 0.67 H new ATOM 0 HG22 ILE B 88 17.642 -2.151 5.424 1.00 0.67 H new ATOM 0 HG23 ILE B 88 18.010 -0.441 5.753 1.00 0.67 H new ATOM 0 HD11 ILE B 88 19.508 -0.740 10.256 1.00 0.91 H new ATOM 0 HD12 ILE B 88 18.253 -1.998 10.176 1.00 0.91 H new ATOM 0 HD13 ILE B 88 19.726 -2.146 9.189 1.00 0.91 H new ATOM 2847 N GLN B 89 14.698 -0.734 9.444 1.00 0.48 N ATOM 2848 CA GLN B 89 14.128 -0.967 10.765 1.00 0.53 C ATOM 2849 C GLN B 89 12.605 -1.077 10.726 1.00 0.52 C ATOM 2850 O GLN B 89 12.001 -1.708 11.595 1.00 0.71 O ATOM 2851 CB GLN B 89 14.549 0.160 11.715 1.00 0.57 C ATOM 2852 CG GLN B 89 14.177 -0.077 13.171 1.00 0.69 C ATOM 2853 CD GLN B 89 14.816 -1.327 13.735 1.00 0.82 C ATOM 2854 OE1 GLN B 89 15.939 -1.291 14.242 1.00 0.96 O ATOM 2855 NE2 GLN B 89 14.109 -2.441 13.649 1.00 0.89 N ATOM 0 H GLN B 89 14.444 0.159 9.022 1.00 0.48 H new ATOM 0 HA GLN B 89 14.512 -1.921 11.127 1.00 0.53 H new ATOM 0 HB2 GLN B 89 15.628 0.294 11.645 1.00 0.57 H new ATOM 0 HB3 GLN B 89 14.090 1.091 11.382 1.00 0.57 H new ATOM 0 HG2 GLN B 89 14.483 0.784 13.766 1.00 0.69 H new ATOM 0 HG3 GLN B 89 13.093 -0.156 13.258 1.00 0.69 H new ATOM 0 HE21 GLN B 89 13.183 -2.426 13.221 1.00 0.89 H new ATOM 0 HE22 GLN B 89 14.489 -3.316 14.010 1.00 0.89 H new ATOM 2864 N HIS B 90 11.980 -0.481 9.720 1.00 0.49 N ATOM 2865 CA HIS B 90 10.523 -0.512 9.635 1.00 0.51 C ATOM 2866 C HIS B 90 10.036 -0.609 8.193 1.00 0.50 C ATOM 2867 O HIS B 90 9.297 -1.533 7.852 1.00 0.75 O ATOM 2868 CB HIS B 90 9.940 0.740 10.307 1.00 0.59 C ATOM 2869 CG HIS B 90 8.444 0.752 10.405 1.00 0.72 C ATOM 2870 ND1 HIS B 90 7.679 1.846 10.061 1.00 0.96 N ATOM 2871 CD2 HIS B 90 7.574 -0.197 10.826 1.00 0.92 C ATOM 2872 CE1 HIS B 90 6.403 1.572 10.272 1.00 1.14 C ATOM 2873 NE2 HIS B 90 6.314 0.340 10.732 1.00 1.10 N ATOM 0 H HIS B 90 12.446 0.021 8.964 1.00 0.49 H new ATOM 0 HA HIS B 90 10.177 -1.405 10.155 1.00 0.51 H new ATOM 0 HB2 HIS B 90 10.358 0.827 11.310 1.00 0.59 H new ATOM 0 HB3 HIS B 90 10.262 1.620 9.750 1.00 0.59 H new ATOM 0 HD2 HIS B 90 7.824 -1.189 11.171 1.00 0.92 H new ATOM 0 HE1 HIS B 90 5.575 2.243 10.097 1.00 1.14 H new ATOM 0 HE2 HIS B 90 5.447 -0.138 10.979 1.00 1.10 H new ATOM 2882 N GLY B 91 10.457 0.347 7.372 1.00 0.45 N ATOM 2883 CA GLY B 91 10.053 0.400 5.977 1.00 0.46 C ATOM 2884 C GLY B 91 10.277 -0.894 5.227 1.00 0.45 C ATOM 2885 O GLY B 91 9.325 -1.542 4.800 1.00 0.64 O ATOM 0 H GLY B 91 11.083 1.101 7.655 1.00 0.45 H new ATOM 0 HA2 GLY B 91 8.996 0.661 5.924 1.00 0.46 H new ATOM 0 HA3 GLY B 91 10.604 1.198 5.479 1.00 0.46 H new ATOM 2889 N ILE B 92 11.528 -1.284 5.071 1.00 0.38 N ATOM 2890 CA ILE B 92 11.838 -2.506 4.354 1.00 0.39 C ATOM 2891 C ILE B 92 12.394 -3.561 5.295 1.00 0.41 C ATOM 2892 O ILE B 92 13.591 -3.590 5.575 1.00 0.46 O ATOM 2893 CB ILE B 92 12.839 -2.264 3.202 1.00 0.41 C ATOM 2894 CG1 ILE B 92 12.384 -1.091 2.330 1.00 0.40 C ATOM 2895 CG2 ILE B 92 12.997 -3.523 2.358 1.00 0.47 C ATOM 2896 CD1 ILE B 92 11.086 -1.339 1.588 1.00 0.43 C ATOM 0 H ILE B 92 12.339 -0.778 5.427 1.00 0.38 H new ATOM 0 HA ILE B 92 10.902 -2.862 3.923 1.00 0.39 H new ATOM 0 HB ILE B 92 13.807 -2.015 3.637 1.00 0.41 H new ATOM 0 HG12 ILE B 92 12.268 -0.208 2.959 1.00 0.40 H new ATOM 0 HG13 ILE B 92 13.167 -0.865 1.606 1.00 0.40 H new ATOM 0 HG21 ILE B 92 13.706 -3.334 1.552 1.00 0.47 H new ATOM 0 HG22 ILE B 92 13.367 -4.336 2.983 1.00 0.47 H new ATOM 0 HG23 ILE B 92 12.032 -3.801 1.935 1.00 0.47 H new ATOM 0 HD11 ILE B 92 10.833 -0.461 0.994 1.00 0.43 H new ATOM 0 HD12 ILE B 92 11.201 -2.201 0.931 1.00 0.43 H new ATOM 0 HD13 ILE B 92 10.288 -1.534 2.305 1.00 0.43 H new ATOM 2908 N HIS B 93 11.508 -4.405 5.804 1.00 0.46 N ATOM 2909 CA HIS B 93 11.909 -5.479 6.700 1.00 0.52 C ATOM 2910 C HIS B 93 12.648 -6.548 5.908 1.00 0.54 C ATOM 2911 O HIS B 93 13.715 -7.012 6.311 1.00 0.66 O ATOM 2912 CB HIS B 93 10.688 -6.079 7.401 1.00 0.58 C ATOM 2913 CG HIS B 93 10.555 -5.658 8.834 1.00 0.65 C ATOM 2914 ND1 HIS B 93 9.857 -4.537 9.239 1.00 1.25 N ATOM 2915 CD2 HIS B 93 11.030 -6.228 9.965 1.00 1.25 C ATOM 2916 CE1 HIS B 93 9.918 -4.438 10.556 1.00 1.14 C ATOM 2917 NE2 HIS B 93 10.620 -5.451 11.018 1.00 1.10 N ATOM 0 H HIS B 93 10.507 -4.367 5.612 1.00 0.46 H new ATOM 0 HA HIS B 93 12.573 -5.077 7.466 1.00 0.52 H new ATOM 0 HB2 HIS B 93 9.788 -5.787 6.860 1.00 0.58 H new ATOM 0 HB3 HIS B 93 10.750 -7.166 7.354 1.00 0.58 H new ATOM 0 HD2 HIS B 93 11.623 -7.129 10.027 1.00 1.25 H new ATOM 0 HE1 HIS B 93 9.468 -3.658 11.152 1.00 1.14 H new ATOM 0 HE2 HIS B 93 10.826 -5.629 12.001 1.00 1.10 H new ATOM 2926 N ASP B 94 12.070 -6.923 4.772 1.00 0.58 N ATOM 2927 CA ASP B 94 12.655 -7.920 3.881 1.00 0.63 C ATOM 2928 C ASP B 94 11.811 -8.050 2.618 1.00 0.78 C ATOM 2929 O ASP B 94 10.878 -8.850 2.566 1.00 1.65 O ATOM 2930 CB ASP B 94 12.770 -9.289 4.562 1.00 0.67 C ATOM 2931 CG ASP B 94 13.421 -10.326 3.665 1.00 0.79 C ATOM 2932 OD1 ASP B 94 14.569 -10.101 3.220 1.00 0.92 O ATOM 2933 OD2 ASP B 94 12.791 -11.369 3.397 1.00 1.08 O ATOM 0 H ASP B 94 11.182 -6.544 4.442 1.00 0.58 H new ATOM 0 HA ASP B 94 13.659 -7.583 3.623 1.00 0.63 H new ATOM 0 HB2 ASP B 94 13.351 -9.189 5.479 1.00 0.67 H new ATOM 0 HB3 ASP B 94 11.777 -9.633 4.850 1.00 0.67 H new ATOM 2938 N GLY B 95 12.123 -7.241 1.616 1.00 0.57 N ATOM 2939 CA GLY B 95 11.388 -7.285 0.368 1.00 0.52 C ATOM 2940 C GLY B 95 10.019 -6.643 0.474 1.00 0.46 C ATOM 2941 O GLY B 95 9.018 -7.333 0.664 1.00 0.53 O ATOM 0 H GLY B 95 12.875 -6.552 1.645 1.00 0.57 H new ATOM 0 HA2 GLY B 95 11.964 -6.778 -0.406 1.00 0.52 H new ATOM 0 HA3 GLY B 95 11.275 -8.323 0.054 1.00 0.52 H new ATOM 2945 N LEU B 96 9.975 -5.321 0.360 1.00 0.41 N ATOM 2946 CA LEU B 96 8.719 -4.583 0.440 1.00 0.40 C ATOM 2947 C LEU B 96 8.712 -3.452 -0.571 1.00 0.37 C ATOM 2948 O LEU B 96 9.736 -3.159 -1.192 1.00 0.41 O ATOM 2949 CB LEU B 96 8.492 -4.022 1.844 1.00 0.44 C ATOM 2950 CG LEU B 96 7.836 -4.988 2.831 1.00 0.53 C ATOM 2951 CD1 LEU B 96 8.107 -4.556 4.263 1.00 0.58 C ATOM 2952 CD2 LEU B 96 6.339 -5.076 2.574 1.00 0.70 C ATOM 0 H LEU B 96 10.797 -4.736 0.211 1.00 0.41 H new ATOM 0 HA LEU B 96 7.909 -5.277 0.215 1.00 0.40 H new ATOM 0 HB2 LEU B 96 9.452 -3.707 2.252 1.00 0.44 H new ATOM 0 HB3 LEU B 96 7.871 -3.130 1.766 1.00 0.44 H new ATOM 0 HG LEU B 96 8.270 -5.977 2.684 1.00 0.53 H new ATOM 0 HD11 LEU B 96 7.632 -5.256 4.950 1.00 0.58 H new ATOM 0 HD12 LEU B 96 9.182 -4.545 4.442 1.00 0.58 H new ATOM 0 HD13 LEU B 96 7.702 -3.557 4.425 1.00 0.58 H new ATOM 0 HD21 LEU B 96 5.888 -5.768 3.285 1.00 0.70 H new ATOM 0 HD22 LEU B 96 5.891 -4.090 2.693 1.00 0.70 H new ATOM 0 HD23 LEU B 96 6.164 -5.434 1.559 1.00 0.70 H new ATOM 2964 N THR B 97 7.563 -2.822 -0.722 1.00 0.39 N ATOM 2965 CA THR B 97 7.409 -1.726 -1.662 1.00 0.39 C ATOM 2966 C THR B 97 7.259 -0.394 -0.934 1.00 0.37 C ATOM 2967 O THR B 97 6.577 -0.309 0.084 1.00 0.46 O ATOM 2968 CB THR B 97 6.177 -1.955 -2.557 1.00 0.46 C ATOM 2969 OG1 THR B 97 5.420 -3.066 -2.059 1.00 0.83 O ATOM 2970 CG2 THR B 97 6.585 -2.224 -3.997 1.00 0.78 C ATOM 0 H THR B 97 6.716 -3.052 -0.202 1.00 0.39 H new ATOM 0 HA THR B 97 8.307 -1.692 -2.278 1.00 0.39 H new ATOM 0 HB THR B 97 5.569 -1.051 -2.536 1.00 0.46 H new ATOM 0 HG1 THR B 97 5.024 -2.831 -1.194 1.00 0.83 H new ATOM 0 HG21 THR B 97 5.694 -2.382 -4.604 1.00 0.78 H new ATOM 0 HG22 THR B 97 7.141 -1.370 -4.383 1.00 0.78 H new ATOM 0 HG23 THR B 97 7.213 -3.114 -4.037 1.00 0.78 H new ATOM 2978 N VAL B 98 7.920 0.631 -1.452 1.00 0.33 N ATOM 2979 CA VAL B 98 7.847 1.967 -0.875 1.00 0.31 C ATOM 2980 C VAL B 98 7.547 2.986 -1.968 1.00 0.30 C ATOM 2981 O VAL B 98 8.050 2.876 -3.086 1.00 0.36 O ATOM 2982 CB VAL B 98 9.150 2.366 -0.142 1.00 0.31 C ATOM 2983 CG1 VAL B 98 9.163 1.812 1.275 1.00 0.37 C ATOM 2984 CG2 VAL B 98 10.372 1.889 -0.914 1.00 0.34 C ATOM 0 H VAL B 98 8.517 0.563 -2.276 1.00 0.33 H new ATOM 0 HA VAL B 98 7.045 1.956 -0.137 1.00 0.31 H new ATOM 0 HB VAL B 98 9.186 3.454 -0.084 1.00 0.31 H new ATOM 0 HG11 VAL B 98 10.088 2.105 1.772 1.00 0.37 H new ATOM 0 HG12 VAL B 98 8.312 2.209 1.829 1.00 0.37 H new ATOM 0 HG13 VAL B 98 9.098 0.724 1.241 1.00 0.37 H new ATOM 0 HG21 VAL B 98 11.276 2.181 -0.380 1.00 0.34 H new ATOM 0 HG22 VAL B 98 10.341 0.804 -1.010 1.00 0.34 H new ATOM 0 HG23 VAL B 98 10.375 2.341 -1.906 1.00 0.34 H new ATOM 2994 N HIS B 99 6.715 3.964 -1.653 1.00 0.29 N ATOM 2995 CA HIS B 99 6.338 4.986 -2.625 1.00 0.31 C ATOM 2996 C HIS B 99 7.287 6.176 -2.571 1.00 0.30 C ATOM 2997 O HIS B 99 7.769 6.537 -1.504 1.00 0.47 O ATOM 2998 CB HIS B 99 4.907 5.461 -2.369 1.00 0.38 C ATOM 2999 CG HIS B 99 4.069 5.520 -3.604 1.00 0.47 C ATOM 3000 ND1 HIS B 99 3.317 4.457 -4.044 1.00 0.68 N ATOM 3001 CD2 HIS B 99 3.855 6.525 -4.489 1.00 0.71 C ATOM 3002 CE1 HIS B 99 2.686 4.795 -5.148 1.00 0.81 C ATOM 3003 NE2 HIS B 99 2.986 6.046 -5.439 1.00 0.81 N ATOM 0 H HIS B 99 6.286 4.075 -0.734 1.00 0.29 H new ATOM 0 HA HIS B 99 6.400 4.538 -3.617 1.00 0.31 H new ATOM 0 HB2 HIS B 99 4.434 4.792 -1.650 1.00 0.38 H new ATOM 0 HB3 HIS B 99 4.937 6.450 -1.912 1.00 0.38 H new ATOM 0 HD1 HIS B 99 3.257 3.548 -3.586 1.00 0.68 H new ATOM 0 HD2 HIS B 99 4.286 7.515 -4.454 1.00 0.71 H new ATOM 0 HE1 HIS B 99 2.031 4.155 -5.721 1.00 0.81 H new ATOM 3012 N LEU B 100 7.560 6.773 -3.724 1.00 0.31 N ATOM 3013 CA LEU B 100 8.435 7.933 -3.785 1.00 0.32 C ATOM 3014 C LEU B 100 7.625 9.188 -4.105 1.00 0.32 C ATOM 3015 O LEU B 100 7.120 9.346 -5.220 1.00 0.40 O ATOM 3016 CB LEU B 100 9.530 7.729 -4.841 1.00 0.37 C ATOM 3017 CG LEU B 100 10.778 8.603 -4.669 1.00 0.50 C ATOM 3018 CD1 LEU B 100 11.566 8.173 -3.442 1.00 0.85 C ATOM 3019 CD2 LEU B 100 11.649 8.540 -5.916 1.00 0.91 C ATOM 0 H LEU B 100 7.189 6.473 -4.626 1.00 0.31 H new ATOM 0 HA LEU B 100 8.911 8.057 -2.812 1.00 0.32 H new ATOM 0 HB2 LEU B 100 9.835 6.683 -4.827 1.00 0.37 H new ATOM 0 HB3 LEU B 100 9.103 7.923 -5.825 1.00 0.37 H new ATOM 0 HG LEU B 100 10.459 9.635 -4.526 1.00 0.50 H new ATOM 0 HD11 LEU B 100 12.448 8.805 -3.336 1.00 0.85 H new ATOM 0 HD12 LEU B 100 10.940 8.272 -2.555 1.00 0.85 H new ATOM 0 HD13 LEU B 100 11.875 7.134 -3.554 1.00 0.85 H new ATOM 0 HD21 LEU B 100 12.530 9.166 -5.776 1.00 0.91 H new ATOM 0 HD22 LEU B 100 11.960 7.510 -6.091 1.00 0.91 H new ATOM 0 HD23 LEU B 100 11.081 8.899 -6.775 1.00 0.91 H new ATOM 3031 N VAL B 101 7.483 10.063 -3.121 1.00 0.30 N ATOM 3032 CA VAL B 101 6.737 11.305 -3.300 1.00 0.32 C ATOM 3033 C VAL B 101 7.622 12.507 -2.978 1.00 0.33 C ATOM 3034 O VAL B 101 8.775 12.341 -2.571 1.00 0.38 O ATOM 3035 CB VAL B 101 5.467 11.352 -2.415 1.00 0.39 C ATOM 3036 CG1 VAL B 101 4.520 10.205 -2.757 1.00 0.50 C ATOM 3037 CG2 VAL B 101 5.839 11.327 -0.940 1.00 0.52 C ATOM 0 H VAL B 101 7.874 9.938 -2.187 1.00 0.30 H new ATOM 0 HA VAL B 101 6.425 11.343 -4.344 1.00 0.32 H new ATOM 0 HB VAL B 101 4.946 12.288 -2.619 1.00 0.39 H new ATOM 0 HG11 VAL B 101 3.636 10.261 -2.121 1.00 0.50 H new ATOM 0 HG12 VAL B 101 4.220 10.280 -3.802 1.00 0.50 H new ATOM 0 HG13 VAL B 101 5.026 9.254 -2.592 1.00 0.50 H new ATOM 0 HG21 VAL B 101 4.933 11.361 -0.336 1.00 0.52 H new ATOM 0 HG22 VAL B 101 6.389 10.412 -0.719 1.00 0.52 H new ATOM 0 HG23 VAL B 101 6.463 12.190 -0.707 1.00 0.52 H new ATOM 3047 N ILE B 102 7.084 13.707 -3.162 1.00 0.36 N ATOM 3048 CA ILE B 102 7.831 14.925 -2.895 1.00 0.41 C ATOM 3049 C ILE B 102 7.039 15.850 -1.978 1.00 0.51 C ATOM 3050 O ILE B 102 6.217 16.647 -2.434 1.00 0.79 O ATOM 3051 CB ILE B 102 8.221 15.687 -4.190 1.00 0.52 C ATOM 3052 CG1 ILE B 102 7.047 15.749 -5.190 1.00 0.71 C ATOM 3053 CG2 ILE B 102 9.457 15.060 -4.826 1.00 0.76 C ATOM 3054 CD1 ILE B 102 6.989 14.598 -6.176 1.00 1.32 C ATOM 0 H ILE B 102 6.132 13.860 -3.495 1.00 0.36 H new ATOM 0 HA ILE B 102 8.754 14.618 -2.404 1.00 0.41 H new ATOM 0 HB ILE B 102 8.461 16.714 -3.915 1.00 0.52 H new ATOM 0 HG12 ILE B 102 6.112 15.776 -4.630 1.00 0.71 H new ATOM 0 HG13 ILE B 102 7.112 16.683 -5.747 1.00 0.71 H new ATOM 0 HG21 ILE B 102 9.717 15.606 -5.733 1.00 0.76 H new ATOM 0 HG22 ILE B 102 10.290 15.105 -4.124 1.00 0.76 H new ATOM 0 HG23 ILE B 102 9.249 14.020 -5.076 1.00 0.76 H new ATOM 0 HD11 ILE B 102 6.132 14.728 -6.837 1.00 1.32 H new ATOM 0 HD12 ILE B 102 7.904 14.579 -6.768 1.00 1.32 H new ATOM 0 HD13 ILE B 102 6.889 13.658 -5.633 1.00 1.32 H new ATOM 3066 N LYS B 103 7.270 15.718 -0.682 1.00 0.59 N ATOM 3067 CA LYS B 103 6.586 16.545 0.299 1.00 0.76 C ATOM 3068 C LYS B 103 7.581 17.143 1.280 1.00 0.91 C ATOM 3069 O LYS B 103 8.363 16.378 1.878 1.00 1.07 O ATOM 3070 CB LYS B 103 5.514 15.739 1.046 1.00 0.86 C ATOM 3071 CG LYS B 103 4.240 15.507 0.239 1.00 1.00 C ATOM 3072 CD LYS B 103 3.619 16.816 -0.224 1.00 1.15 C ATOM 3073 CE LYS B 103 2.364 16.585 -1.047 1.00 1.32 C ATOM 3074 NZ LYS B 103 1.986 17.798 -1.815 1.00 1.74 N ATOM 3075 OXT LYS B 103 7.577 18.384 1.446 1.00 1.20 O ATOM 0 H LYS B 103 7.926 15.046 -0.285 1.00 0.59 H new ATOM 0 HA LYS B 103 6.091 17.358 -0.232 1.00 0.76 H new ATOM 0 HB2 LYS B 103 5.932 14.774 1.331 1.00 0.86 H new ATOM 0 HB3 LYS B 103 5.258 16.261 1.968 1.00 0.86 H new ATOM 0 HG2 LYS B 103 4.467 14.886 -0.627 1.00 1.00 H new ATOM 0 HG3 LYS B 103 3.520 14.958 0.846 1.00 1.00 H new ATOM 0 HD2 LYS B 103 3.377 17.430 0.643 1.00 1.15 H new ATOM 0 HD3 LYS B 103 4.345 17.373 -0.817 1.00 1.15 H new ATOM 0 HE2 LYS B 103 2.526 15.754 -1.734 1.00 1.32 H new ATOM 0 HE3 LYS B 103 1.543 16.299 -0.389 1.00 1.32 H new ATOM 0 HZ1 LYS B 103 0.993 17.723 -2.115 1.00 1.74 H new ATOM 0 HZ2 LYS B 103 2.104 18.639 -1.215 1.00 1.74 H new ATOM 0 HZ3 LYS B 103 2.596 17.882 -2.653 1.00 1.74 H new