USER MOD reduce.3.24.130724 H: found=0, std=0, add=1554, rem=0, adj=42 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 -78:sc= 0.736 USER MOD Set 1.2: B 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ 161:sc= 2.37 (180deg=0.633) USER MOD Single : A 31 MET CE :methyl -176:sc= -0.226 (180deg=-0.268) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 THR OG1 : rot -21:sc= 0.193 USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot 180: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 130:sc= 0 USER MOD Single : A 50 GLN : amide:sc= 0 K(o=0,f=-0.58) USER MOD Single : A 51 GLN : amide:sc= 0.0242 K(o=0.024,f=-0.69) USER MOD Single : A 52 THR OG1 : rot 55:sc= 1.13 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 58 HIS : no HE2:sc= 1.13 K(o=1.8,f=-6.5!) USER MOD Single : A 60 CYS SG : rot -126:sc= 1.18 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 THR OG1 : rot 84:sc= 1.23 USER MOD Single : A 66 SER OG : rot 180:sc= 0.0209 USER MOD Single : A 68 ASN : amide:sc=-0.00092 K(o=-0.00092,f=-0.87) USER MOD Single : A 80 CYS SG : rot 73:sc= -1.38! USER MOD Single : A 83 LYS NZ :NH3+ 173:sc= 1.25 (180deg=0.96) USER MOD Single : A 87 GLN : amide:sc= -0.208 X(o=-0.21,f=-0.28) USER MOD Single : A 88 CYS SG : rot -140:sc= 0.723 USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 94 TYR OH : rot -170:sc= 0.248 USER MOD Single : A 97 LYS NZ :NH3+ -177:sc= 1.06 (180deg=0.953) USER MOD Single : A 99 LYS NZ :NH3+ -158:sc= 0.634 (180deg=0.382) USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 103 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.0828) USER MOD Single : A 109 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 110 GLN : amide:sc= 0.793 K(o=0.79,f=-4.9!) USER MOD Single : A 113 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 THR OG1 : rot 180:sc= 0.00723 USER MOD Single : A 116 GLN : amide:sc= -0.113 X(o=-0.11,f=-0.19) USER MOD Single : A 120 HIS : no HD1:sc= -0.525 X(o=-0.53,f=-0.78) USER MOD Single : A 121 CYS SG : rot 42:sc= 1.02 USER MOD Single : A 123 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.022) USER MOD Single : A 125 ASN : amide:sc= 1.86 K(o=1.9,f=-6.4!) USER MOD Single : A 127 TYR OH : rot 180:sc= 0 USER MOD Single : A 129 ASN : amide:sc= 0.829 K(o=0.83,f=0) USER MOD Single : A 130 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 34 LYS NZ :NH3+ 156:sc= -0.0327 (180deg=-0.302) USER MOD Single : B 36 THR OG1 : rot -67:sc= 0.58 USER MOD Single : B 38 LYS NZ :NH3+ 153:sc= 1.99 (180deg=0.97) USER MOD Single : B 39 THR OG1 : rot 15:sc= 0.697 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= -1.03! C(o=-1!,f=-8.9!) USER MOD Single : B 52 SER OG : rot 9:sc= 0.0318 USER MOD Single : B 53 SER OG : rot 180:sc= 0 USER MOD Single : B 55 GLN : amide:sc= -0.0728 K(o=-0.073,f=-1.3!) USER MOD Single : B 56 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 58 LYS NZ :NH3+ 167:sc= 0 (180deg=-0.0653) 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 67 SER OG : rot 33:sc= 0.00312 USER MOD Single : B 68 GLN : amide:sc= -0.183 K(o=-0.18,f=-1.8!) USER MOD Single : B 71 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 79 LYS NZ :NH3+ -138:sc= 0 (180deg=-0.74) USER MOD Single : B 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 84 GLN : amide:sc= 0 X(o=0,f=-0.47) USER MOD Single : B 86 THR OG1 : rot 180:sc= 0 USER MOD Single : B 89 GLN : amide:sc= -0.223 X(o=-0.22,f=-0.28) USER MOD Single : B 90 HIS : no HD1:sc= 0 X(o=0,f=-0.011) USER MOD Single : B 93 HIS : no HE2:sc= -0.14 X(o=-0.14,f=-0.042) USER MOD Single : B 97 THR OG1 : rot 180:sc= 0 USER MOD Single : B 99 HIS : no HD1:sc= -1.88 K(o=-0.23,f=-7.6!) USER MOD Single : B 103 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0445) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 21 -11.536 21.486 9.005 1.00 0.79 N ATOM 2 CA LYS A 21 -12.703 20.592 8.855 1.00 0.63 C ATOM 3 C LYS A 21 -12.344 19.395 7.987 1.00 0.53 C ATOM 4 O LYS A 21 -11.221 19.288 7.498 1.00 0.61 O ATOM 5 CB LYS A 21 -13.888 21.349 8.237 1.00 0.62 C ATOM 6 CG LYS A 21 -13.669 21.777 6.791 1.00 0.66 C ATOM 7 CD LYS A 21 -14.946 22.325 6.165 1.00 0.77 C ATOM 8 CE LYS A 21 -15.399 23.611 6.841 1.00 0.90 C ATOM 9 NZ LYS A 21 -16.630 24.165 6.219 1.00 1.10 N ATOM 0 HA LYS A 21 -12.992 20.239 9.845 1.00 0.63 H new ATOM 0 HB2 LYS A 21 -14.775 20.717 8.287 1.00 0.62 H new ATOM 0 HB3 LYS A 21 -14.093 22.234 8.839 1.00 0.62 H new ATOM 0 HG2 LYS A 21 -12.889 22.537 6.751 1.00 0.66 H new ATOM 0 HG3 LYS A 21 -13.315 20.926 6.209 1.00 0.66 H new ATOM 0 HD2 LYS A 21 -14.780 22.511 5.104 1.00 0.77 H new ATOM 0 HD3 LYS A 21 -15.736 21.578 6.238 1.00 0.77 H new ATOM 0 HE2 LYS A 21 -15.582 23.419 7.898 1.00 0.90 H new ATOM 0 HE3 LYS A 21 -14.600 24.351 6.785 1.00 0.90 H new ATOM 0 HZ1 LYS A 21 -16.903 25.040 6.710 1.00 1.10 H new ATOM 0 HZ2 LYS A 21 -16.449 24.373 5.216 1.00 1.10 H new ATOM 0 HZ3 LYS A 21 -17.400 23.470 6.295 1.00 1.10 H new ATOM 23 N TYR A 22 -13.291 18.490 7.804 1.00 0.49 N ATOM 24 CA TYR A 22 -13.058 17.315 6.981 1.00 0.49 C ATOM 25 C TYR A 22 -13.785 17.459 5.654 1.00 0.47 C ATOM 26 O TYR A 22 -14.737 18.231 5.544 1.00 0.57 O ATOM 27 CB TYR A 22 -13.535 16.040 7.680 1.00 0.56 C ATOM 28 CG TYR A 22 -13.380 16.057 9.183 1.00 0.55 C ATOM 29 CD1 TYR A 22 -12.147 16.293 9.781 1.00 0.56 C ATOM 30 CD2 TYR A 22 -14.474 15.833 10.006 1.00 0.61 C ATOM 31 CE1 TYR A 22 -12.013 16.305 11.158 1.00 0.60 C ATOM 32 CE2 TYR A 22 -14.349 15.842 11.379 1.00 0.67 C ATOM 33 CZ TYR A 22 -13.118 16.079 11.951 1.00 0.65 C ATOM 34 OH TYR A 22 -12.996 16.094 13.319 1.00 0.75 O ATOM 0 H TYR A 22 -14.224 18.546 8.212 1.00 0.49 H new ATOM 0 HA TYR A 22 -11.984 17.236 6.812 1.00 0.49 H new ATOM 0 HB2 TYR A 22 -14.585 15.878 7.437 1.00 0.56 H new ATOM 0 HB3 TYR A 22 -12.981 15.191 7.279 1.00 0.56 H new ATOM 0 HD1 TYR A 22 -11.281 16.470 9.161 1.00 0.56 H new ATOM 0 HD2 TYR A 22 -15.441 15.648 9.563 1.00 0.61 H new ATOM 0 HE1 TYR A 22 -11.049 16.490 11.609 1.00 0.60 H new ATOM 0 HE2 TYR A 22 -15.212 15.664 12.003 1.00 0.67 H new ATOM 0 HH TYR A 22 -13.869 15.918 13.727 1.00 0.75 H new ATOM 44 N LEU A 23 -13.334 16.719 4.652 1.00 0.41 N ATOM 45 CA LEU A 23 -13.959 16.759 3.338 1.00 0.43 C ATOM 46 C LEU A 23 -15.238 15.936 3.354 1.00 0.43 C ATOM 47 O LEU A 23 -16.317 16.423 3.014 1.00 0.52 O ATOM 48 CB LEU A 23 -12.991 16.224 2.279 1.00 0.45 C ATOM 49 CG LEU A 23 -11.677 16.995 2.164 1.00 0.54 C ATOM 50 CD1 LEU A 23 -10.593 16.113 1.562 1.00 0.64 C ATOM 51 CD2 LEU A 23 -11.871 18.250 1.326 1.00 0.70 C ATOM 0 H LEU A 23 -12.539 16.084 4.723 1.00 0.41 H new ATOM 0 HA LEU A 23 -14.207 17.791 3.089 1.00 0.43 H new ATOM 0 HB2 LEU A 23 -12.766 15.182 2.506 1.00 0.45 H new ATOM 0 HB3 LEU A 23 -13.490 16.238 1.310 1.00 0.45 H new ATOM 0 HG LEU A 23 -11.361 17.293 3.164 1.00 0.54 H new ATOM 0 HD11 LEU A 23 -9.664 16.678 1.487 1.00 0.64 H new ATOM 0 HD12 LEU A 23 -10.438 15.242 2.198 1.00 0.64 H new ATOM 0 HD13 LEU A 23 -10.900 15.786 0.568 1.00 0.64 H new ATOM 0 HD21 LEU A 23 -10.926 18.789 1.253 1.00 0.70 H new ATOM 0 HD22 LEU A 23 -12.208 17.972 0.327 1.00 0.70 H new ATOM 0 HD23 LEU A 23 -12.618 18.890 1.796 1.00 0.70 H new ATOM 63 N VAL A 24 -15.106 14.685 3.763 1.00 0.42 N ATOM 64 CA VAL A 24 -16.237 13.776 3.852 1.00 0.46 C ATOM 65 C VAL A 24 -16.146 13.005 5.160 1.00 0.43 C ATOM 66 O VAL A 24 -15.055 12.597 5.560 1.00 0.44 O ATOM 67 CB VAL A 24 -16.280 12.776 2.671 1.00 0.54 C ATOM 68 CG1 VAL A 24 -17.486 11.851 2.783 1.00 0.70 C ATOM 69 CG2 VAL A 24 -16.294 13.504 1.334 1.00 0.76 C ATOM 0 H VAL A 24 -14.216 14.272 4.042 1.00 0.42 H new ATOM 0 HA VAL A 24 -17.150 14.370 3.812 1.00 0.46 H new ATOM 0 HB VAL A 24 -15.375 12.170 2.720 1.00 0.54 H new ATOM 0 HG11 VAL A 24 -17.493 11.158 1.941 1.00 0.70 H new ATOM 0 HG12 VAL A 24 -17.428 11.289 3.715 1.00 0.70 H new ATOM 0 HG13 VAL A 24 -18.401 12.443 2.773 1.00 0.70 H new ATOM 0 HG21 VAL A 24 -16.324 12.776 0.524 1.00 0.76 H new ATOM 0 HG22 VAL A 24 -17.173 14.146 1.278 1.00 0.76 H new ATOM 0 HG23 VAL A 24 -15.394 14.112 1.242 1.00 0.76 H new ATOM 79 N GLU A 25 -17.277 12.836 5.828 1.00 0.45 N ATOM 80 CA GLU A 25 -17.324 12.116 7.093 1.00 0.45 C ATOM 81 C GLU A 25 -18.562 11.231 7.149 1.00 0.47 C ATOM 82 O GLU A 25 -19.661 11.665 6.803 1.00 0.55 O ATOM 83 CB GLU A 25 -17.321 13.097 8.274 1.00 0.49 C ATOM 84 CG GLU A 25 -18.234 14.299 8.080 1.00 0.56 C ATOM 85 CD GLU A 25 -18.812 14.819 9.382 1.00 0.69 C ATOM 86 OE1 GLU A 25 -18.036 15.280 10.248 1.00 0.95 O ATOM 87 OE2 GLU A 25 -20.053 14.774 9.542 1.00 0.96 O ATOM 0 H GLU A 25 -18.180 13.190 5.513 1.00 0.45 H new ATOM 0 HA GLU A 25 -16.437 11.487 7.164 1.00 0.45 H new ATOM 0 HB2 GLU A 25 -17.624 12.565 9.176 1.00 0.49 H new ATOM 0 HB3 GLU A 25 -16.303 13.449 8.438 1.00 0.49 H new ATOM 0 HG2 GLU A 25 -17.676 15.098 7.592 1.00 0.56 H new ATOM 0 HG3 GLU A 25 -19.049 14.025 7.410 1.00 0.56 H new ATOM 94 N PHE A 26 -18.379 9.983 7.553 1.00 0.43 N ATOM 95 CA PHE A 26 -19.487 9.043 7.657 1.00 0.46 C ATOM 96 C PHE A 26 -19.282 8.107 8.841 1.00 0.45 C ATOM 97 O PHE A 26 -18.157 7.920 9.304 1.00 0.44 O ATOM 98 CB PHE A 26 -19.655 8.244 6.357 1.00 0.47 C ATOM 99 CG PHE A 26 -18.400 7.562 5.872 1.00 0.46 C ATOM 100 CD1 PHE A 26 -17.503 8.232 5.051 1.00 0.51 C ATOM 101 CD2 PHE A 26 -18.125 6.250 6.226 1.00 0.48 C ATOM 102 CE1 PHE A 26 -16.357 7.607 4.598 1.00 0.55 C ATOM 103 CE2 PHE A 26 -16.980 5.620 5.772 1.00 0.49 C ATOM 104 CZ PHE A 26 -16.095 6.300 4.958 1.00 0.51 C ATOM 0 H PHE A 26 -17.472 9.596 7.815 1.00 0.43 H new ATOM 0 HA PHE A 26 -20.402 9.613 7.821 1.00 0.46 H new ATOM 0 HB2 PHE A 26 -20.428 7.490 6.507 1.00 0.47 H new ATOM 0 HB3 PHE A 26 -20.012 8.916 5.577 1.00 0.47 H new ATOM 0 HD1 PHE A 26 -17.703 9.253 4.763 1.00 0.51 H new ATOM 0 HD2 PHE A 26 -18.812 5.714 6.863 1.00 0.48 H new ATOM 0 HE1 PHE A 26 -15.666 8.141 3.962 1.00 0.55 H new ATOM 0 HE2 PHE A 26 -16.778 4.597 6.054 1.00 0.49 H new ATOM 0 HZ PHE A 26 -15.200 5.810 4.604 1.00 0.51 H new ATOM 114 N ARG A 27 -20.364 7.527 9.327 1.00 0.47 N ATOM 115 CA ARG A 27 -20.296 6.628 10.466 1.00 0.47 C ATOM 116 C ARG A 27 -19.996 5.204 10.017 1.00 0.45 C ATOM 117 O ARG A 27 -20.751 4.611 9.241 1.00 0.46 O ATOM 118 CB ARG A 27 -21.611 6.680 11.245 1.00 0.51 C ATOM 119 CG ARG A 27 -21.912 8.052 11.829 1.00 0.55 C ATOM 120 CD ARG A 27 -23.409 8.282 11.990 1.00 0.61 C ATOM 121 NE ARG A 27 -24.080 8.459 10.703 1.00 0.62 N ATOM 122 CZ ARG A 27 -25.253 9.068 10.546 1.00 0.73 C ATOM 123 NH1 ARG A 27 -25.897 9.573 11.595 1.00 0.84 N ATOM 124 NH2 ARG A 27 -25.784 9.170 9.332 1.00 0.77 N ATOM 0 H ARG A 27 -21.302 7.662 8.951 1.00 0.47 H new ATOM 0 HA ARG A 27 -19.484 6.951 11.118 1.00 0.47 H new ATOM 0 HB2 ARG A 27 -22.428 6.387 10.585 1.00 0.51 H new ATOM 0 HB3 ARG A 27 -21.576 5.949 12.053 1.00 0.51 H new ATOM 0 HG2 ARG A 27 -21.423 8.150 12.798 1.00 0.55 H new ATOM 0 HG3 ARG A 27 -21.493 8.822 11.182 1.00 0.55 H new ATOM 0 HD2 ARG A 27 -23.851 7.435 12.515 1.00 0.61 H new ATOM 0 HD3 ARG A 27 -23.575 9.163 12.609 1.00 0.61 H new ATOM 0 HE ARG A 27 -23.619 8.092 9.871 1.00 0.62 H new ATOM 0 HH11 ARG A 27 -25.492 9.495 12.528 1.00 0.84 H new ATOM 0 HH12 ARG A 27 -26.796 10.038 11.466 1.00 0.84 H new ATOM 0 HH21 ARG A 27 -25.293 8.783 8.526 1.00 0.77 H new ATOM 0 HH22 ARG A 27 -26.683 9.636 9.206 1.00 0.77 H new ATOM 138 N ALA A 28 -18.893 4.663 10.510 1.00 0.44 N ATOM 139 CA ALA A 28 -18.475 3.311 10.168 1.00 0.43 C ATOM 140 C ALA A 28 -17.615 2.723 11.279 1.00 0.42 C ATOM 141 O ALA A 28 -16.802 3.421 11.887 1.00 0.44 O ATOM 142 CB ALA A 28 -17.720 3.302 8.847 1.00 0.42 C ATOM 0 H ALA A 28 -18.265 5.144 11.154 1.00 0.44 H new ATOM 0 HA ALA A 28 -19.366 2.693 10.057 1.00 0.43 H new ATOM 0 HB1 ALA A 28 -17.416 2.283 8.609 1.00 0.42 H new ATOM 0 HB2 ALA A 28 -18.366 3.682 8.056 1.00 0.42 H new ATOM 0 HB3 ALA A 28 -16.836 3.935 8.929 1.00 0.42 H new ATOM 148 N GLY A 29 -17.799 1.442 11.544 1.00 0.43 N ATOM 149 CA GLY A 29 -17.041 0.783 12.585 1.00 0.43 C ATOM 150 C GLY A 29 -15.776 0.144 12.053 1.00 0.41 C ATOM 151 O GLY A 29 -15.755 -0.375 10.937 1.00 0.46 O ATOM 0 H GLY A 29 -18.463 0.843 11.054 1.00 0.43 H new ATOM 0 HA2 GLY A 29 -16.783 1.507 13.358 1.00 0.43 H new ATOM 0 HA3 GLY A 29 -17.661 0.020 13.056 1.00 0.43 H new ATOM 155 N LYS A 30 -14.719 0.186 12.851 1.00 0.42 N ATOM 156 CA LYS A 30 -13.440 -0.391 12.460 1.00 0.42 C ATOM 157 C LYS A 30 -13.379 -1.864 12.842 1.00 0.41 C ATOM 158 O LYS A 30 -14.288 -2.385 13.487 1.00 0.45 O ATOM 159 CB LYS A 30 -12.295 0.364 13.141 1.00 0.48 C ATOM 160 CG LYS A 30 -12.323 0.262 14.660 1.00 0.54 C ATOM 161 CD LYS A 30 -11.296 1.174 15.310 1.00 0.67 C ATOM 162 CE LYS A 30 -9.888 0.627 15.177 1.00 0.70 C ATOM 163 NZ LYS A 30 -8.907 1.467 15.910 1.00 0.60 N ATOM 0 H LYS A 30 -14.722 0.615 13.776 1.00 0.42 H new ATOM 0 HA LYS A 30 -13.339 -0.303 11.378 1.00 0.42 H new ATOM 0 HB2 LYS A 30 -11.345 -0.025 12.775 1.00 0.48 H new ATOM 0 HB3 LYS A 30 -12.341 1.414 12.854 1.00 0.48 H new ATOM 0 HG2 LYS A 30 -13.318 0.520 15.023 1.00 0.54 H new ATOM 0 HG3 LYS A 30 -12.133 -0.769 14.958 1.00 0.54 H new ATOM 0 HD2 LYS A 30 -11.346 2.162 14.852 1.00 0.67 H new ATOM 0 HD3 LYS A 30 -11.538 1.299 16.365 1.00 0.67 H new ATOM 0 HE2 LYS A 30 -9.855 -0.392 15.561 1.00 0.70 H new ATOM 0 HE3 LYS A 30 -9.613 0.580 14.123 1.00 0.70 H new ATOM 0 HZ1 LYS A 30 -8.038 0.921 16.076 1.00 0.60 H new ATOM 0 HZ2 LYS A 30 -8.683 2.311 15.346 1.00 0.60 H new ATOM 0 HZ3 LYS A 30 -9.312 1.758 16.822 1.00 0.60 H new ATOM 177 N MET A 31 -12.315 -2.538 12.431 1.00 0.43 N ATOM 178 CA MET A 31 -12.124 -3.948 12.754 1.00 0.44 C ATOM 179 C MET A 31 -10.695 -4.168 13.230 1.00 0.46 C ATOM 180 O MET A 31 -9.762 -3.574 12.686 1.00 0.55 O ATOM 181 CB MET A 31 -12.418 -4.838 11.543 1.00 0.46 C ATOM 182 CG MET A 31 -13.778 -4.589 10.910 1.00 0.47 C ATOM 183 SD MET A 31 -14.420 -6.033 10.043 1.00 0.54 S ATOM 184 CE MET A 31 -15.875 -5.327 9.270 1.00 0.61 C ATOM 0 H MET A 31 -11.566 -2.131 11.871 1.00 0.43 H new ATOM 0 HA MET A 31 -12.821 -4.221 13.546 1.00 0.44 H new ATOM 0 HB2 MET A 31 -11.644 -4.680 10.792 1.00 0.46 H new ATOM 0 HB3 MET A 31 -12.356 -5.882 11.849 1.00 0.46 H new ATOM 0 HG2 MET A 31 -14.485 -4.292 11.684 1.00 0.47 H new ATOM 0 HG3 MET A 31 -13.701 -3.756 10.211 1.00 0.47 H new ATOM 0 HE1 MET A 31 -16.427 -6.110 8.751 1.00 0.61 H new ATOM 0 HE2 MET A 31 -16.511 -4.879 10.033 1.00 0.61 H new ATOM 0 HE3 MET A 31 -15.572 -4.562 8.555 1.00 0.61 H new ATOM 194 N SER A 32 -10.524 -5.005 14.240 1.00 0.49 N ATOM 195 CA SER A 32 -9.202 -5.273 14.786 1.00 0.52 C ATOM 196 C SER A 32 -8.770 -6.714 14.536 1.00 0.52 C ATOM 197 O SER A 32 -9.557 -7.650 14.693 1.00 0.54 O ATOM 198 CB SER A 32 -9.194 -4.978 16.285 1.00 0.59 C ATOM 199 OG SER A 32 -9.692 -3.677 16.540 1.00 0.93 O ATOM 0 H SER A 32 -11.282 -5.510 14.698 1.00 0.49 H new ATOM 0 HA SER A 32 -8.490 -4.621 14.279 1.00 0.52 H new ATOM 0 HB2 SER A 32 -9.802 -5.715 16.809 1.00 0.59 H new ATOM 0 HB3 SER A 32 -8.179 -5.067 16.673 1.00 0.59 H new ATOM 0 HG SER A 32 -9.681 -3.506 17.505 1.00 0.93 H new ATOM 205 N LEU A 33 -7.514 -6.882 14.141 1.00 0.54 N ATOM 206 CA LEU A 33 -6.958 -8.202 13.880 1.00 0.56 C ATOM 207 C LEU A 33 -6.362 -8.776 15.161 1.00 0.58 C ATOM 208 O LEU A 33 -5.257 -8.409 15.566 1.00 0.63 O ATOM 209 CB LEU A 33 -5.887 -8.114 12.788 1.00 0.58 C ATOM 210 CG LEU A 33 -5.049 -9.381 12.576 1.00 0.61 C ATOM 211 CD1 LEU A 33 -5.867 -10.464 11.890 1.00 0.62 C ATOM 212 CD2 LEU A 33 -3.803 -9.056 11.763 1.00 0.67 C ATOM 0 H LEU A 33 -6.858 -6.115 13.994 1.00 0.54 H new ATOM 0 HA LEU A 33 -7.754 -8.863 13.536 1.00 0.56 H new ATOM 0 HB2 LEU A 33 -6.374 -7.861 11.846 1.00 0.58 H new ATOM 0 HB3 LEU A 33 -5.214 -7.291 13.030 1.00 0.58 H new ATOM 0 HG LEU A 33 -4.742 -9.758 13.552 1.00 0.61 H new ATOM 0 HD11 LEU A 33 -5.251 -11.352 11.751 1.00 0.62 H new ATOM 0 HD12 LEU A 33 -6.730 -10.714 12.507 1.00 0.62 H new ATOM 0 HD13 LEU A 33 -6.208 -10.103 10.920 1.00 0.62 H new ATOM 0 HD21 LEU A 33 -3.216 -9.963 11.619 1.00 0.67 H new ATOM 0 HD22 LEU A 33 -4.096 -8.655 10.793 1.00 0.67 H new ATOM 0 HD23 LEU A 33 -3.204 -8.317 12.295 1.00 0.67 H new ATOM 224 N LYS A 34 -7.101 -9.669 15.797 1.00 0.59 N ATOM 225 CA LYS A 34 -6.650 -10.288 17.032 1.00 0.63 C ATOM 226 C LYS A 34 -5.955 -11.606 16.731 1.00 0.65 C ATOM 227 O LYS A 34 -6.611 -12.640 16.566 1.00 0.68 O ATOM 228 CB LYS A 34 -7.835 -10.517 17.974 1.00 0.66 C ATOM 229 CG LYS A 34 -8.610 -9.247 18.296 1.00 0.68 C ATOM 230 CD LYS A 34 -9.814 -9.543 19.169 1.00 0.76 C ATOM 231 CE LYS A 34 -10.699 -8.320 19.338 1.00 0.84 C ATOM 232 NZ LYS A 34 -11.902 -8.618 20.155 1.00 1.01 N ATOM 0 H LYS A 34 -8.018 -9.982 15.478 1.00 0.59 H new ATOM 0 HA LYS A 34 -5.941 -9.620 17.521 1.00 0.63 H new ATOM 0 HB2 LYS A 34 -8.513 -11.242 17.523 1.00 0.66 H new ATOM 0 HB3 LYS A 34 -7.471 -10.956 18.903 1.00 0.66 H new ATOM 0 HG2 LYS A 34 -7.956 -8.538 18.803 1.00 0.68 H new ATOM 0 HG3 LYS A 34 -8.937 -8.773 17.370 1.00 0.68 H new ATOM 0 HD2 LYS A 34 -10.394 -10.353 18.727 1.00 0.76 H new ATOM 0 HD3 LYS A 34 -9.479 -9.888 20.147 1.00 0.76 H new ATOM 0 HE2 LYS A 34 -10.128 -7.521 19.810 1.00 0.84 H new ATOM 0 HE3 LYS A 34 -11.007 -7.956 18.358 1.00 0.84 H new ATOM 0 HZ1 LYS A 34 -12.480 -7.759 20.247 1.00 1.01 H new ATOM 0 HZ2 LYS A 34 -12.460 -9.363 19.692 1.00 1.01 H new ATOM 0 HZ3 LYS A 34 -11.609 -8.941 21.099 1.00 1.01 H new ATOM 246 N GLY A 35 -4.631 -11.560 16.628 1.00 0.66 N ATOM 247 CA GLY A 35 -3.861 -12.758 16.344 1.00 0.70 C ATOM 248 C GLY A 35 -3.979 -13.193 14.897 1.00 0.70 C ATOM 249 O GLY A 35 -3.010 -13.152 14.142 1.00 0.75 O ATOM 0 H GLY A 35 -4.075 -10.712 16.736 1.00 0.66 H new ATOM 0 HA2 GLY A 35 -2.813 -12.577 16.582 1.00 0.70 H new ATOM 0 HA3 GLY A 35 -4.200 -13.566 16.992 1.00 0.70 H new ATOM 253 N THR A 36 -5.175 -13.607 14.518 1.00 0.68 N ATOM 254 CA THR A 36 -5.450 -14.041 13.161 1.00 0.70 C ATOM 255 C THR A 36 -6.927 -13.822 12.827 1.00 0.68 C ATOM 256 O THR A 36 -7.332 -13.866 11.662 1.00 0.72 O ATOM 257 CB THR A 36 -5.072 -15.530 12.957 1.00 0.75 C ATOM 258 OG1 THR A 36 -5.274 -15.911 11.591 1.00 0.82 O ATOM 259 CG2 THR A 36 -5.891 -16.436 13.870 1.00 0.77 C ATOM 0 H THR A 36 -5.981 -13.652 15.141 1.00 0.68 H new ATOM 0 HA THR A 36 -4.837 -13.443 12.486 1.00 0.70 H new ATOM 0 HB THR A 36 -4.019 -15.645 13.212 1.00 0.75 H new ATOM 0 HG1 THR A 36 -5.902 -15.289 11.168 1.00 0.82 H new ATOM 0 HG21 THR A 36 -5.604 -17.474 13.705 1.00 0.77 H new ATOM 0 HG22 THR A 36 -5.704 -16.169 14.910 1.00 0.77 H new ATOM 0 HG23 THR A 36 -6.951 -16.313 13.649 1.00 0.77 H new ATOM 267 N THR A 37 -7.725 -13.551 13.854 1.00 0.66 N ATOM 268 CA THR A 37 -9.148 -13.336 13.681 1.00 0.66 C ATOM 269 C THR A 37 -9.489 -11.847 13.678 1.00 0.61 C ATOM 270 O THR A 37 -9.241 -11.136 14.656 1.00 0.61 O ATOM 271 CB THR A 37 -9.941 -14.045 14.795 1.00 0.71 C ATOM 272 OG1 THR A 37 -9.414 -15.365 14.997 1.00 0.79 O ATOM 273 CG2 THR A 37 -11.421 -14.132 14.445 1.00 0.81 C ATOM 0 H THR A 37 -7.403 -13.476 14.819 1.00 0.66 H new ATOM 0 HA THR A 37 -9.428 -13.757 12.715 1.00 0.66 H new ATOM 0 HB THR A 37 -9.840 -13.463 15.711 1.00 0.71 H new ATOM 0 HG1 THR A 37 -9.919 -15.814 15.707 1.00 0.79 H new ATOM 0 HG21 THR A 37 -11.956 -14.637 15.249 1.00 0.81 H new ATOM 0 HG22 THR A 37 -11.824 -13.127 14.316 1.00 0.81 H new ATOM 0 HG23 THR A 37 -11.543 -14.694 13.519 1.00 0.81 H new ATOM 281 N VAL A 38 -10.039 -11.372 12.570 1.00 0.60 N ATOM 282 CA VAL A 38 -10.425 -9.975 12.449 1.00 0.57 C ATOM 283 C VAL A 38 -11.830 -9.783 13.011 1.00 0.57 C ATOM 284 O VAL A 38 -12.803 -10.299 12.461 1.00 0.64 O ATOM 285 CB VAL A 38 -10.392 -9.493 10.981 1.00 0.57 C ATOM 286 CG1 VAL A 38 -10.729 -8.010 10.888 1.00 0.59 C ATOM 287 CG2 VAL A 38 -9.034 -9.766 10.355 1.00 0.61 C ATOM 0 H VAL A 38 -10.228 -11.935 11.741 1.00 0.60 H new ATOM 0 HA VAL A 38 -9.706 -9.382 13.014 1.00 0.57 H new ATOM 0 HB VAL A 38 -11.147 -10.052 10.428 1.00 0.57 H new ATOM 0 HG11 VAL A 38 -10.699 -7.695 9.845 1.00 0.59 H new ATOM 0 HG12 VAL A 38 -11.727 -7.838 11.291 1.00 0.59 H new ATOM 0 HG13 VAL A 38 -10.002 -7.435 11.462 1.00 0.59 H new ATOM 0 HG21 VAL A 38 -9.033 -9.419 9.322 1.00 0.61 H new ATOM 0 HG22 VAL A 38 -8.262 -9.239 10.916 1.00 0.61 H new ATOM 0 HG23 VAL A 38 -8.831 -10.837 10.378 1.00 0.61 H new ATOM 297 N THR A 39 -11.932 -9.057 14.115 1.00 0.56 N ATOM 298 CA THR A 39 -13.218 -8.817 14.750 1.00 0.58 C ATOM 299 C THR A 39 -13.627 -7.353 14.618 1.00 0.55 C ATOM 300 O THR A 39 -12.844 -6.452 14.923 1.00 0.55 O ATOM 301 CB THR A 39 -13.172 -9.200 16.242 1.00 0.64 C ATOM 302 OG1 THR A 39 -12.213 -10.247 16.440 1.00 0.67 O ATOM 303 CG2 THR A 39 -14.540 -9.662 16.726 1.00 0.74 C ATOM 0 H THR A 39 -11.139 -8.624 14.589 1.00 0.56 H new ATOM 0 HA THR A 39 -13.955 -9.440 14.243 1.00 0.58 H new ATOM 0 HB THR A 39 -12.882 -8.320 16.816 1.00 0.64 H new ATOM 0 HG1 THR A 39 -12.184 -10.488 17.389 1.00 0.67 H new ATOM 0 HG21 THR A 39 -14.482 -9.927 17.782 1.00 0.74 H new ATOM 0 HG22 THR A 39 -15.264 -8.858 16.593 1.00 0.74 H new ATOM 0 HG23 THR A 39 -14.855 -10.532 16.150 1.00 0.74 H new ATOM 311 N PRO A 40 -14.849 -7.100 14.131 1.00 0.55 N ATOM 312 CA PRO A 40 -15.365 -5.741 13.971 1.00 0.54 C ATOM 313 C PRO A 40 -15.742 -5.105 15.303 1.00 0.56 C ATOM 314 O PRO A 40 -16.370 -5.743 16.151 1.00 0.63 O ATOM 315 CB PRO A 40 -16.602 -5.933 13.095 1.00 0.56 C ATOM 316 CG PRO A 40 -17.053 -7.329 13.355 1.00 0.65 C ATOM 317 CD PRO A 40 -15.817 -8.121 13.682 1.00 0.58 C ATOM 0 HA PRO A 40 -14.623 -5.070 13.539 1.00 0.54 H new ATOM 0 HB2 PRO A 40 -17.380 -5.214 13.350 1.00 0.56 H new ATOM 0 HB3 PRO A 40 -16.365 -5.786 12.041 1.00 0.56 H new ATOM 0 HG2 PRO A 40 -17.764 -7.360 14.181 1.00 0.65 H new ATOM 0 HG3 PRO A 40 -17.560 -7.742 12.483 1.00 0.65 H new ATOM 0 HD2 PRO A 40 -16.010 -8.859 14.461 1.00 0.58 H new ATOM 0 HD3 PRO A 40 -15.449 -8.665 12.812 1.00 0.58 H new ATOM 325 N ASP A 41 -15.353 -3.853 15.480 1.00 0.53 N ATOM 326 CA ASP A 41 -15.649 -3.122 16.704 1.00 0.56 C ATOM 327 C ASP A 41 -17.130 -2.760 16.750 1.00 0.58 C ATOM 328 O ASP A 41 -17.763 -2.575 15.707 1.00 0.66 O ATOM 329 CB ASP A 41 -14.792 -1.856 16.800 1.00 0.57 C ATOM 330 CG ASP A 41 -14.559 -1.422 18.235 1.00 0.61 C ATOM 331 OD1 ASP A 41 -15.543 -1.126 18.939 1.00 0.64 O ATOM 332 OD2 ASP A 41 -13.382 -1.370 18.665 1.00 0.68 O ATOM 0 H ASP A 41 -14.828 -3.318 14.788 1.00 0.53 H new ATOM 0 HA ASP A 41 -15.412 -3.761 17.555 1.00 0.56 H new ATOM 0 HB2 ASP A 41 -13.831 -2.033 16.317 1.00 0.57 H new ATOM 0 HB3 ASP A 41 -15.279 -1.048 16.254 1.00 0.57 H new ATOM 337 N LYS A 42 -17.670 -2.657 17.953 1.00 0.61 N ATOM 338 CA LYS A 42 -19.082 -2.336 18.140 1.00 0.64 C ATOM 339 C LYS A 42 -19.277 -0.847 18.393 1.00 0.64 C ATOM 340 O LYS A 42 -20.401 -0.341 18.336 1.00 0.76 O ATOM 341 CB LYS A 42 -19.645 -3.128 19.317 1.00 0.71 C ATOM 342 CG LYS A 42 -19.347 -4.613 19.253 1.00 0.72 C ATOM 343 CD LYS A 42 -19.815 -5.324 20.512 1.00 0.84 C ATOM 344 CE LYS A 42 -19.424 -6.792 20.498 1.00 0.90 C ATOM 345 NZ LYS A 42 -18.060 -7.017 21.047 1.00 1.08 N ATOM 0 H LYS A 42 -17.152 -2.791 18.821 1.00 0.61 H new ATOM 0 HA LYS A 42 -19.613 -2.606 17.227 1.00 0.64 H new ATOM 0 HB2 LYS A 42 -19.236 -2.724 20.243 1.00 0.71 H new ATOM 0 HB3 LYS A 42 -20.725 -2.985 19.356 1.00 0.71 H new ATOM 0 HG2 LYS A 42 -19.839 -5.048 18.383 1.00 0.72 H new ATOM 0 HG3 LYS A 42 -18.276 -4.766 19.123 1.00 0.72 H new ATOM 0 HD2 LYS A 42 -19.383 -4.839 21.387 1.00 0.84 H new ATOM 0 HD3 LYS A 42 -20.898 -5.235 20.601 1.00 0.84 H new ATOM 0 HE2 LYS A 42 -20.147 -7.364 21.080 1.00 0.90 H new ATOM 0 HE3 LYS A 42 -19.469 -7.168 19.476 1.00 0.90 H new ATOM 0 HZ1 LYS A 42 -17.837 -8.032 21.017 1.00 1.08 H new ATOM 0 HZ2 LYS A 42 -17.366 -6.493 20.477 1.00 1.08 H new ATOM 0 HZ3 LYS A 42 -18.022 -6.683 22.031 1.00 1.08 H new ATOM 359 N ARG A 43 -18.188 -0.150 18.677 1.00 0.58 N ATOM 360 CA ARG A 43 -18.242 1.281 18.953 1.00 0.58 C ATOM 361 C ARG A 43 -18.674 2.072 17.727 1.00 0.55 C ATOM 362 O ARG A 43 -18.433 1.667 16.585 1.00 0.55 O ATOM 363 CB ARG A 43 -16.882 1.796 19.422 1.00 0.58 C ATOM 364 CG ARG A 43 -16.484 1.321 20.804 1.00 0.60 C ATOM 365 CD ARG A 43 -15.069 1.754 21.137 1.00 0.60 C ATOM 366 NE ARG A 43 -14.094 1.149 20.234 1.00 0.57 N ATOM 367 CZ ARG A 43 -13.031 1.786 19.742 1.00 0.57 C ATOM 368 NH1 ARG A 43 -12.813 3.059 20.046 1.00 0.62 N ATOM 369 NH2 ARG A 43 -12.190 1.152 18.936 1.00 0.57 N ATOM 0 H ARG A 43 -17.252 -0.552 18.723 1.00 0.58 H new ATOM 0 HA ARG A 43 -18.980 1.424 19.742 1.00 0.58 H new ATOM 0 HB2 ARG A 43 -16.121 1.482 18.708 1.00 0.58 H new ATOM 0 HB3 ARG A 43 -16.896 2.886 19.414 1.00 0.58 H new ATOM 0 HG2 ARG A 43 -17.176 1.723 21.544 1.00 0.60 H new ATOM 0 HG3 ARG A 43 -16.558 0.235 20.855 1.00 0.60 H new ATOM 0 HD2 ARG A 43 -14.997 2.840 21.076 1.00 0.60 H new ATOM 0 HD3 ARG A 43 -14.835 1.476 22.165 1.00 0.60 H new ATOM 0 HE ARG A 43 -14.235 0.176 19.962 1.00 0.57 H new ATOM 0 HH11 ARG A 43 -13.460 3.555 20.659 1.00 0.62 H new ATOM 0 HH12 ARG A 43 -11.998 3.542 19.667 1.00 0.62 H new ATOM 0 HH21 ARG A 43 -12.356 0.176 18.692 1.00 0.57 H new ATOM 0 HH22 ARG A 43 -11.377 1.641 18.560 1.00 0.57 H new ATOM 383 N LYS A 44 -19.325 3.196 17.972 1.00 0.57 N ATOM 384 CA LYS A 44 -19.763 4.065 16.902 1.00 0.56 C ATOM 385 C LYS A 44 -18.586 4.919 16.465 1.00 0.53 C ATOM 386 O LYS A 44 -18.112 5.769 17.219 1.00 0.59 O ATOM 387 CB LYS A 44 -20.925 4.949 17.361 1.00 0.62 C ATOM 388 CG LYS A 44 -22.146 4.167 17.813 1.00 0.70 C ATOM 389 CD LYS A 44 -23.288 5.097 18.183 1.00 0.79 C ATOM 390 CE LYS A 44 -24.499 4.331 18.690 1.00 0.93 C ATOM 391 NZ LYS A 44 -25.615 5.245 19.060 1.00 1.07 N ATOM 0 H LYS A 44 -19.561 3.526 18.908 1.00 0.57 H new ATOM 0 HA LYS A 44 -20.118 3.464 16.065 1.00 0.56 H new ATOM 0 HB2 LYS A 44 -20.586 5.582 18.181 1.00 0.62 H new ATOM 0 HB3 LYS A 44 -21.211 5.611 16.544 1.00 0.62 H new ATOM 0 HG2 LYS A 44 -22.465 3.494 17.017 1.00 0.70 H new ATOM 0 HG3 LYS A 44 -21.887 3.546 18.671 1.00 0.70 H new ATOM 0 HD2 LYS A 44 -22.953 5.796 18.949 1.00 0.79 H new ATOM 0 HD3 LYS A 44 -23.571 5.689 17.313 1.00 0.79 H new ATOM 0 HE2 LYS A 44 -24.838 3.636 17.922 1.00 0.93 H new ATOM 0 HE3 LYS A 44 -24.215 3.734 19.557 1.00 0.93 H new ATOM 0 HZ1 LYS A 44 -26.423 4.686 19.401 1.00 1.07 H new ATOM 0 HZ2 LYS A 44 -25.300 5.892 19.811 1.00 1.07 H new ATOM 0 HZ3 LYS A 44 -25.903 5.797 18.227 1.00 1.07 H new ATOM 405 N GLY A 45 -18.101 4.681 15.261 1.00 0.52 N ATOM 406 CA GLY A 45 -16.963 5.424 14.779 1.00 0.51 C ATOM 407 C GLY A 45 -17.291 6.343 13.631 1.00 0.48 C ATOM 408 O GLY A 45 -18.309 6.175 12.955 1.00 0.50 O ATOM 0 H GLY A 45 -18.474 3.989 14.611 1.00 0.52 H new ATOM 0 HA2 GLY A 45 -16.549 6.012 15.598 1.00 0.51 H new ATOM 0 HA3 GLY A 45 -16.188 4.725 14.465 1.00 0.51 H new ATOM 412 N LEU A 46 -16.434 7.326 13.428 1.00 0.46 N ATOM 413 CA LEU A 46 -16.598 8.287 12.359 1.00 0.45 C ATOM 414 C LEU A 46 -15.362 8.280 11.473 1.00 0.41 C ATOM 415 O LEU A 46 -14.249 8.542 11.934 1.00 0.42 O ATOM 416 CB LEU A 46 -16.827 9.685 12.933 1.00 0.47 C ATOM 417 CG LEU A 46 -17.146 10.768 11.902 1.00 0.51 C ATOM 418 CD1 LEU A 46 -18.588 10.644 11.428 1.00 0.56 C ATOM 419 CD2 LEU A 46 -16.887 12.152 12.481 1.00 0.59 C ATOM 0 H LEU A 46 -15.604 7.479 14.001 1.00 0.46 H new ATOM 0 HA LEU A 46 -17.468 8.012 11.763 1.00 0.45 H new ATOM 0 HB2 LEU A 46 -17.646 9.636 13.650 1.00 0.47 H new ATOM 0 HB3 LEU A 46 -15.937 9.984 13.486 1.00 0.47 H new ATOM 0 HG LEU A 46 -16.490 10.630 11.043 1.00 0.51 H new ATOM 0 HD11 LEU A 46 -18.798 11.422 10.695 1.00 0.56 H new ATOM 0 HD12 LEU A 46 -18.738 9.666 10.972 1.00 0.56 H new ATOM 0 HD13 LEU A 46 -19.261 10.755 12.278 1.00 0.56 H new ATOM 0 HD21 LEU A 46 -17.120 12.909 11.732 1.00 0.59 H new ATOM 0 HD22 LEU A 46 -17.517 12.303 13.358 1.00 0.59 H new ATOM 0 HD23 LEU A 46 -15.839 12.236 12.768 1.00 0.59 H new ATOM 431 N VAL A 47 -15.561 7.951 10.209 1.00 0.40 N ATOM 432 CA VAL A 47 -14.473 7.911 9.250 1.00 0.39 C ATOM 433 C VAL A 47 -14.506 9.167 8.400 1.00 0.37 C ATOM 434 O VAL A 47 -15.540 9.502 7.815 1.00 0.40 O ATOM 435 CB VAL A 47 -14.565 6.674 8.336 1.00 0.41 C ATOM 436 CG1 VAL A 47 -13.331 6.555 7.457 1.00 0.57 C ATOM 437 CG2 VAL A 47 -14.756 5.413 9.162 1.00 0.43 C ATOM 0 H VAL A 47 -16.472 7.706 9.822 1.00 0.40 H new ATOM 0 HA VAL A 47 -13.537 7.852 9.805 1.00 0.39 H new ATOM 0 HB VAL A 47 -15.432 6.796 7.687 1.00 0.41 H new ATOM 0 HG11 VAL A 47 -13.421 5.674 6.821 1.00 0.57 H new ATOM 0 HG12 VAL A 47 -13.241 7.445 6.834 1.00 0.57 H new ATOM 0 HG13 VAL A 47 -12.445 6.461 8.085 1.00 0.57 H new ATOM 0 HG21 VAL A 47 -14.819 4.550 8.499 1.00 0.43 H new ATOM 0 HG22 VAL A 47 -13.911 5.290 9.839 1.00 0.43 H new ATOM 0 HG23 VAL A 47 -15.676 5.493 9.741 1.00 0.43 H new ATOM 447 N TYR A 48 -13.388 9.871 8.343 1.00 0.37 N ATOM 448 CA TYR A 48 -13.318 11.096 7.570 1.00 0.37 C ATOM 449 C TYR A 48 -11.959 11.271 6.918 1.00 0.34 C ATOM 450 O TYR A 48 -10.980 10.620 7.292 1.00 0.36 O ATOM 451 CB TYR A 48 -13.632 12.307 8.457 1.00 0.43 C ATOM 452 CG TYR A 48 -12.816 12.378 9.732 1.00 0.44 C ATOM 453 CD1 TYR A 48 -11.487 12.793 9.716 1.00 0.46 C ATOM 454 CD2 TYR A 48 -13.379 12.037 10.955 1.00 0.63 C ATOM 455 CE1 TYR A 48 -10.745 12.860 10.879 1.00 0.54 C ATOM 456 CE2 TYR A 48 -12.643 12.103 12.119 1.00 0.73 C ATOM 457 CZ TYR A 48 -11.329 12.514 12.077 1.00 0.64 C ATOM 458 OH TYR A 48 -10.596 12.578 13.238 1.00 0.78 O ATOM 0 H TYR A 48 -12.523 9.616 8.820 1.00 0.37 H new ATOM 0 HA TYR A 48 -14.064 11.026 6.778 1.00 0.37 H new ATOM 0 HB2 TYR A 48 -13.464 13.217 7.881 1.00 0.43 H new ATOM 0 HB3 TYR A 48 -14.690 12.286 8.718 1.00 0.43 H new ATOM 0 HD1 TYR A 48 -11.028 13.067 8.778 1.00 0.46 H new ATOM 0 HD2 TYR A 48 -14.409 11.715 10.995 1.00 0.63 H new ATOM 0 HE1 TYR A 48 -9.714 13.181 10.849 1.00 0.54 H new ATOM 0 HE2 TYR A 48 -13.096 11.833 13.062 1.00 0.73 H new ATOM 0 HH TYR A 48 -11.099 13.077 13.915 1.00 0.78 H new ATOM 468 N ILE A 49 -11.920 12.157 5.936 1.00 0.33 N ATOM 469 CA ILE A 49 -10.702 12.466 5.210 1.00 0.32 C ATOM 470 C ILE A 49 -10.396 13.950 5.355 1.00 0.30 C ATOM 471 O ILE A 49 -11.272 14.793 5.134 1.00 0.35 O ATOM 472 CB ILE A 49 -10.827 12.107 3.713 1.00 0.37 C ATOM 473 CG1 ILE A 49 -11.251 10.647 3.553 1.00 0.48 C ATOM 474 CG2 ILE A 49 -9.510 12.355 2.995 1.00 0.41 C ATOM 475 CD1 ILE A 49 -11.593 10.263 2.130 1.00 0.69 C ATOM 0 H ILE A 49 -12.735 12.683 5.620 1.00 0.33 H new ATOM 0 HA ILE A 49 -9.892 11.870 5.631 1.00 0.32 H new ATOM 0 HB ILE A 49 -11.590 12.744 3.266 1.00 0.37 H new ATOM 0 HG12 ILE A 49 -10.447 10.004 3.910 1.00 0.48 H new ATOM 0 HG13 ILE A 49 -12.116 10.458 4.188 1.00 0.48 H new ATOM 0 HG21 ILE A 49 -9.616 12.097 1.941 1.00 0.41 H new ATOM 0 HG22 ILE A 49 -9.239 13.407 3.085 1.00 0.41 H new ATOM 0 HG23 ILE A 49 -8.730 11.739 3.443 1.00 0.41 H new ATOM 0 HD11 ILE A 49 -11.884 9.213 2.096 1.00 0.69 H new ATOM 0 HD12 ILE A 49 -12.418 10.880 1.775 1.00 0.69 H new ATOM 0 HD13 ILE A 49 -10.723 10.419 1.492 1.00 0.69 H new ATOM 487 N GLN A 50 -9.171 14.271 5.747 1.00 0.30 N ATOM 488 CA GLN A 50 -8.778 15.659 5.939 1.00 0.33 C ATOM 489 C GLN A 50 -7.388 15.929 5.368 1.00 0.30 C ATOM 490 O GLN A 50 -6.505 15.075 5.421 1.00 0.36 O ATOM 491 CB GLN A 50 -8.813 15.994 7.434 1.00 0.42 C ATOM 492 CG GLN A 50 -8.324 17.393 7.778 1.00 0.51 C ATOM 493 CD GLN A 50 -8.475 17.718 9.252 1.00 0.66 C ATOM 494 OE1 GLN A 50 -8.470 16.831 10.102 1.00 0.82 O ATOM 495 NE2 GLN A 50 -8.600 18.998 9.568 1.00 0.86 N ATOM 0 H GLN A 50 -8.435 13.591 5.938 1.00 0.30 H new ATOM 0 HA GLN A 50 -9.482 16.296 5.403 1.00 0.33 H new ATOM 0 HB2 GLN A 50 -9.835 15.881 7.795 1.00 0.42 H new ATOM 0 HB3 GLN A 50 -8.203 15.267 7.971 1.00 0.42 H new ATOM 0 HG2 GLN A 50 -7.276 17.487 7.495 1.00 0.51 H new ATOM 0 HG3 GLN A 50 -8.880 18.123 7.190 1.00 0.51 H new ATOM 0 HE21 GLN A 50 -8.600 19.707 8.834 1.00 0.86 H new ATOM 0 HE22 GLN A 50 -8.696 19.275 10.545 1.00 0.86 H new ATOM 504 N GLN A 51 -7.214 17.117 4.808 1.00 0.37 N ATOM 505 CA GLN A 51 -5.938 17.524 4.246 1.00 0.37 C ATOM 506 C GLN A 51 -5.444 18.763 4.984 1.00 0.39 C ATOM 507 O GLN A 51 -6.192 19.724 5.170 1.00 0.51 O ATOM 508 CB GLN A 51 -6.075 17.816 2.750 1.00 0.44 C ATOM 509 CG GLN A 51 -4.740 17.980 2.035 1.00 0.52 C ATOM 510 CD GLN A 51 -4.899 18.385 0.582 1.00 0.72 C ATOM 511 OE1 GLN A 51 -5.843 19.084 0.214 1.00 0.91 O ATOM 512 NE2 GLN A 51 -3.976 17.945 -0.258 1.00 0.93 N ATOM 0 H GLN A 51 -7.949 17.820 4.731 1.00 0.37 H new ATOM 0 HA GLN A 51 -5.218 16.715 4.365 1.00 0.37 H new ATOM 0 HB2 GLN A 51 -6.632 17.006 2.280 1.00 0.44 H new ATOM 0 HB3 GLN A 51 -6.662 18.725 2.618 1.00 0.44 H new ATOM 0 HG2 GLN A 51 -4.145 18.731 2.554 1.00 0.52 H new ATOM 0 HG3 GLN A 51 -4.187 17.042 2.088 1.00 0.52 H new ATOM 0 HE21 GLN A 51 -3.208 17.368 0.085 1.00 0.93 H new ATOM 0 HE22 GLN A 51 -4.032 18.183 -1.248 1.00 0.93 H new ATOM 521 N THR A 52 -4.199 18.734 5.422 1.00 0.38 N ATOM 522 CA THR A 52 -3.629 19.854 6.153 1.00 0.45 C ATOM 523 C THR A 52 -2.690 20.670 5.268 1.00 0.36 C ATOM 524 O THR A 52 -2.628 20.454 4.056 1.00 0.33 O ATOM 525 CB THR A 52 -2.879 19.353 7.397 1.00 0.59 C ATOM 526 OG1 THR A 52 -2.625 17.946 7.275 1.00 0.65 O ATOM 527 CG2 THR A 52 -3.688 19.619 8.658 1.00 0.80 C ATOM 0 H THR A 52 -3.563 17.949 5.285 1.00 0.38 H new ATOM 0 HA THR A 52 -4.448 20.501 6.467 1.00 0.45 H new ATOM 0 HB THR A 52 -1.934 19.891 7.471 1.00 0.59 H new ATOM 0 HG1 THR A 52 -2.143 17.772 6.439 1.00 0.65 H new ATOM 0 HG21 THR A 52 -3.138 19.256 9.526 1.00 0.80 H new ATOM 0 HG22 THR A 52 -3.861 20.690 8.760 1.00 0.80 H new ATOM 0 HG23 THR A 52 -4.645 19.101 8.592 1.00 0.80 H new ATOM 535 N ASP A 53 -1.959 21.607 5.874 1.00 0.40 N ATOM 536 CA ASP A 53 -1.020 22.454 5.132 1.00 0.41 C ATOM 537 C ASP A 53 0.111 21.620 4.539 1.00 0.39 C ATOM 538 O ASP A 53 0.789 22.045 3.605 1.00 0.52 O ATOM 539 CB ASP A 53 -0.443 23.554 6.033 1.00 0.52 C ATOM 540 CG ASP A 53 0.745 23.091 6.856 1.00 0.62 C ATOM 541 OD1 ASP A 53 0.530 22.411 7.885 1.00 0.77 O ATOM 542 OD2 ASP A 53 1.895 23.413 6.487 1.00 0.74 O ATOM 0 H ASP A 53 -1.998 21.799 6.875 1.00 0.40 H new ATOM 0 HA ASP A 53 -1.571 22.925 4.318 1.00 0.41 H new ATOM 0 HB2 ASP A 53 -0.141 24.400 5.415 1.00 0.52 H new ATOM 0 HB3 ASP A 53 -1.224 23.912 6.704 1.00 0.52 H new ATOM 547 N ASP A 54 0.283 20.418 5.077 1.00 0.42 N ATOM 548 CA ASP A 54 1.314 19.493 4.614 1.00 0.55 C ATOM 549 C ASP A 54 0.957 18.937 3.238 1.00 0.45 C ATOM 550 O ASP A 54 1.768 18.267 2.598 1.00 0.52 O ATOM 551 CB ASP A 54 1.509 18.338 5.621 1.00 0.73 C ATOM 552 CG ASP A 54 0.242 17.536 5.912 1.00 0.74 C ATOM 553 OD1 ASP A 54 -0.824 17.841 5.335 1.00 0.65 O ATOM 554 OD2 ASP A 54 0.302 16.599 6.745 1.00 1.10 O ATOM 0 H ASP A 54 -0.285 20.057 5.843 1.00 0.42 H new ATOM 0 HA ASP A 54 2.251 20.044 4.536 1.00 0.55 H new ATOM 0 HB2 ASP A 54 2.273 17.662 5.237 1.00 0.73 H new ATOM 0 HB3 ASP A 54 1.888 18.748 6.557 1.00 0.73 H new ATOM 559 N SER A 55 -0.272 19.226 2.799 1.00 0.36 N ATOM 560 CA SER A 55 -0.781 18.775 1.508 1.00 0.40 C ATOM 561 C SER A 55 -0.895 17.256 1.478 1.00 0.37 C ATOM 562 O SER A 55 -1.030 16.645 0.415 1.00 0.52 O ATOM 563 CB SER A 55 0.105 19.278 0.364 1.00 0.57 C ATOM 564 OG SER A 55 0.317 20.675 0.467 1.00 0.66 O ATOM 0 H SER A 55 -0.941 19.781 3.333 1.00 0.36 H new ATOM 0 HA SER A 55 -1.777 19.195 1.370 1.00 0.40 H new ATOM 0 HB2 SER A 55 1.063 18.758 0.385 1.00 0.57 H new ATOM 0 HB3 SER A 55 -0.363 19.046 -0.593 1.00 0.57 H new ATOM 0 HG SER A 55 0.886 20.975 -0.272 1.00 0.66 H new ATOM 570 N LEU A 56 -0.874 16.653 2.658 1.00 0.28 N ATOM 571 CA LEU A 56 -0.965 15.214 2.779 1.00 0.31 C ATOM 572 C LEU A 56 -2.374 14.803 3.167 1.00 0.27 C ATOM 573 O LEU A 56 -3.019 15.446 3.999 1.00 0.30 O ATOM 574 CB LEU A 56 0.037 14.704 3.817 1.00 0.38 C ATOM 575 CG LEU A 56 1.503 15.028 3.515 1.00 0.40 C ATOM 576 CD1 LEU A 56 2.409 14.500 4.617 1.00 0.49 C ATOM 577 CD2 LEU A 56 1.911 14.455 2.170 1.00 0.48 C ATOM 0 H LEU A 56 -0.794 17.146 3.547 1.00 0.28 H new ATOM 0 HA LEU A 56 -0.726 14.770 1.813 1.00 0.31 H new ATOM 0 HB2 LEU A 56 -0.221 15.128 4.788 1.00 0.38 H new ATOM 0 HB3 LEU A 56 -0.070 13.623 3.903 1.00 0.38 H new ATOM 0 HG LEU A 56 1.611 16.112 3.474 1.00 0.40 H new ATOM 0 HD11 LEU A 56 3.446 14.741 4.382 1.00 0.49 H new ATOM 0 HD12 LEU A 56 2.135 14.961 5.566 1.00 0.49 H new ATOM 0 HD13 LEU A 56 2.296 13.419 4.694 1.00 0.49 H new ATOM 0 HD21 LEU A 56 2.956 14.696 1.974 1.00 0.48 H new ATOM 0 HD22 LEU A 56 1.784 13.372 2.182 1.00 0.48 H new ATOM 0 HD23 LEU A 56 1.286 14.885 1.387 1.00 0.48 H new ATOM 589 N ILE A 57 -2.847 13.737 2.549 1.00 0.27 N ATOM 590 CA ILE A 57 -4.179 13.226 2.815 1.00 0.26 C ATOM 591 C ILE A 57 -4.171 12.402 4.094 1.00 0.24 C ATOM 592 O ILE A 57 -3.375 11.476 4.234 1.00 0.29 O ATOM 593 CB ILE A 57 -4.676 12.351 1.645 1.00 0.30 C ATOM 594 CG1 ILE A 57 -4.372 13.018 0.295 1.00 0.45 C ATOM 595 CG2 ILE A 57 -6.165 12.070 1.779 1.00 0.35 C ATOM 596 CD1 ILE A 57 -4.913 14.427 0.166 1.00 0.57 C ATOM 0 H ILE A 57 -2.324 13.204 1.854 1.00 0.27 H new ATOM 0 HA ILE A 57 -4.853 14.075 2.928 1.00 0.26 H new ATOM 0 HB ILE A 57 -4.142 11.401 1.683 1.00 0.30 H new ATOM 0 HG12 ILE A 57 -3.292 13.040 0.148 1.00 0.45 H new ATOM 0 HG13 ILE A 57 -4.790 12.405 -0.503 1.00 0.45 H new ATOM 0 HG21 ILE A 57 -6.495 11.452 0.944 1.00 0.35 H new ATOM 0 HG22 ILE A 57 -6.353 11.546 2.716 1.00 0.35 H new ATOM 0 HG23 ILE A 57 -6.715 13.011 1.773 1.00 0.35 H new ATOM 0 HD11 ILE A 57 -4.656 14.827 -0.815 1.00 0.57 H new ATOM 0 HD12 ILE A 57 -5.997 14.412 0.279 1.00 0.57 H new ATOM 0 HD13 ILE A 57 -4.476 15.057 0.941 1.00 0.57 H new ATOM 608 N HIS A 58 -5.033 12.745 5.035 1.00 0.25 N ATOM 609 CA HIS A 58 -5.088 12.020 6.296 1.00 0.27 C ATOM 610 C HIS A 58 -6.391 11.244 6.438 1.00 0.27 C ATOM 611 O HIS A 58 -7.482 11.815 6.385 1.00 0.33 O ATOM 612 CB HIS A 58 -4.915 12.972 7.486 1.00 0.32 C ATOM 613 CG HIS A 58 -3.508 13.458 7.668 1.00 0.39 C ATOM 614 ND1 HIS A 58 -2.626 12.892 8.566 1.00 0.51 N ATOM 615 CD2 HIS A 58 -2.830 14.464 7.062 1.00 0.48 C ATOM 616 CE1 HIS A 58 -1.470 13.526 8.498 1.00 0.61 C ATOM 617 NE2 HIS A 58 -1.567 14.485 7.596 1.00 0.59 N ATOM 0 H HIS A 58 -5.699 13.513 4.954 1.00 0.25 H new ATOM 0 HA HIS A 58 -4.263 11.307 6.293 1.00 0.27 H new ATOM 0 HB2 HIS A 58 -5.572 13.831 7.352 1.00 0.32 H new ATOM 0 HB3 HIS A 58 -5.236 12.465 8.396 1.00 0.32 H new ATOM 0 HD1 HIS A 58 -2.834 12.108 9.184 1.00 0.51 H new ATOM 0 HD2 HIS A 58 -3.214 15.126 6.300 1.00 0.48 H new ATOM 0 HE1 HIS A 58 -0.591 13.298 9.083 1.00 0.61 H new ATOM 626 N PHE A 59 -6.255 9.935 6.586 1.00 0.27 N ATOM 627 CA PHE A 59 -7.388 9.046 6.772 1.00 0.28 C ATOM 628 C PHE A 59 -7.437 8.673 8.246 1.00 0.31 C ATOM 629 O PHE A 59 -6.606 7.895 8.719 1.00 0.36 O ATOM 630 CB PHE A 59 -7.223 7.793 5.907 1.00 0.31 C ATOM 631 CG PHE A 59 -8.496 7.029 5.675 1.00 0.45 C ATOM 632 CD1 PHE A 59 -9.368 7.407 4.670 1.00 0.69 C ATOM 633 CD2 PHE A 59 -8.811 5.926 6.453 1.00 0.63 C ATOM 634 CE1 PHE A 59 -10.534 6.703 4.444 1.00 0.92 C ATOM 635 CE2 PHE A 59 -9.977 5.218 6.232 1.00 0.84 C ATOM 636 CZ PHE A 59 -10.839 5.606 5.226 1.00 0.94 C ATOM 0 H PHE A 59 -5.353 9.460 6.580 1.00 0.27 H new ATOM 0 HA PHE A 59 -8.315 9.535 6.473 1.00 0.28 H new ATOM 0 HB2 PHE A 59 -6.807 8.084 4.942 1.00 0.31 H new ATOM 0 HB3 PHE A 59 -6.497 7.132 6.381 1.00 0.31 H new ATOM 0 HD1 PHE A 59 -9.134 8.263 4.055 1.00 0.69 H new ATOM 0 HD2 PHE A 59 -8.139 5.617 7.240 1.00 0.63 H new ATOM 0 HE1 PHE A 59 -11.207 7.010 3.657 1.00 0.92 H new ATOM 0 HE2 PHE A 59 -10.214 4.362 6.846 1.00 0.84 H new ATOM 0 HZ PHE A 59 -11.750 5.053 5.051 1.00 0.94 H new ATOM 646 N CYS A 60 -8.384 9.235 8.976 1.00 0.33 N ATOM 647 CA CYS A 60 -8.463 8.986 10.406 1.00 0.38 C ATOM 648 C CYS A 60 -9.798 8.392 10.839 1.00 0.38 C ATOM 649 O CYS A 60 -10.840 8.652 10.234 1.00 0.40 O ATOM 650 CB CYS A 60 -8.224 10.298 11.156 1.00 0.43 C ATOM 651 SG CYS A 60 -7.318 11.538 10.199 1.00 0.46 S ATOM 0 H CYS A 60 -9.102 9.860 8.609 1.00 0.33 H new ATOM 0 HA CYS A 60 -7.696 8.250 10.647 1.00 0.38 H new ATOM 0 HB2 CYS A 60 -9.186 10.715 11.453 1.00 0.43 H new ATOM 0 HB3 CYS A 60 -7.672 10.086 12.072 1.00 0.43 H new ATOM 0 HG CYS A 60 -6.279 11.932 10.873 1.00 0.46 H new ATOM 657 N TRP A 61 -9.736 7.581 11.889 1.00 0.39 N ATOM 658 CA TRP A 61 -10.913 6.959 12.473 1.00 0.39 C ATOM 659 C TRP A 61 -11.116 7.556 13.856 1.00 0.42 C ATOM 660 O TRP A 61 -10.257 7.418 14.735 1.00 0.45 O ATOM 661 CB TRP A 61 -10.749 5.437 12.567 1.00 0.40 C ATOM 662 CG TRP A 61 -12.017 4.715 12.923 1.00 0.41 C ATOM 663 CD1 TRP A 61 -12.922 4.177 12.056 1.00 0.43 C ATOM 664 CD2 TRP A 61 -12.520 4.447 14.239 1.00 0.43 C ATOM 665 NE1 TRP A 61 -13.957 3.598 12.749 1.00 0.45 N ATOM 666 CE2 TRP A 61 -13.733 3.751 14.089 1.00 0.45 C ATOM 667 CE3 TRP A 61 -12.066 4.734 15.530 1.00 0.46 C ATOM 668 CZ2 TRP A 61 -14.490 3.330 15.178 1.00 0.49 C ATOM 669 CZ3 TRP A 61 -12.819 4.317 16.609 1.00 0.51 C ATOM 670 CH2 TRP A 61 -14.023 3.625 16.428 1.00 0.52 C ATOM 0 H TRP A 61 -8.864 7.337 12.359 1.00 0.39 H new ATOM 0 HA TRP A 61 -11.781 7.149 11.842 1.00 0.39 H new ATOM 0 HB2 TRP A 61 -10.382 5.060 11.612 1.00 0.40 H new ATOM 0 HB3 TRP A 61 -9.989 5.208 13.314 1.00 0.40 H new ATOM 0 HD1 TRP A 61 -12.837 4.203 10.980 1.00 0.43 H new ATOM 0 HE1 TRP A 61 -14.762 3.130 12.332 1.00 0.45 H new ATOM 0 HE3 TRP A 61 -11.142 5.273 15.680 1.00 0.46 H new ATOM 0 HZ2 TRP A 61 -15.414 2.789 15.040 1.00 0.49 H new ATOM 0 HZ3 TRP A 61 -12.474 4.528 17.610 1.00 0.51 H new ATOM 0 HH2 TRP A 61 -14.593 3.319 17.293 1.00 0.52 H new ATOM 681 N LYS A 62 -12.232 8.230 14.045 1.00 0.46 N ATOM 682 CA LYS A 62 -12.518 8.876 15.313 1.00 0.50 C ATOM 683 C LYS A 62 -13.662 8.201 16.058 1.00 0.51 C ATOM 684 O LYS A 62 -14.680 7.841 15.465 1.00 0.51 O ATOM 685 CB LYS A 62 -12.855 10.344 15.056 1.00 0.57 C ATOM 686 CG LYS A 62 -13.094 11.168 16.308 1.00 0.63 C ATOM 687 CD LYS A 62 -13.578 12.565 15.957 1.00 0.75 C ATOM 688 CE LYS A 62 -13.845 13.393 17.203 1.00 0.93 C ATOM 689 NZ LYS A 62 -14.410 14.727 16.878 1.00 1.04 N ATOM 0 H LYS A 62 -12.957 8.346 13.337 1.00 0.46 H new ATOM 0 HA LYS A 62 -11.633 8.793 15.944 1.00 0.50 H new ATOM 0 HB2 LYS A 62 -12.041 10.796 14.490 1.00 0.57 H new ATOM 0 HB3 LYS A 62 -13.745 10.394 14.429 1.00 0.57 H new ATOM 0 HG2 LYS A 62 -13.831 10.672 16.939 1.00 0.63 H new ATOM 0 HG3 LYS A 62 -12.172 11.233 16.886 1.00 0.63 H new ATOM 0 HD2 LYS A 62 -12.832 13.065 15.340 1.00 0.75 H new ATOM 0 HD3 LYS A 62 -14.489 12.497 15.363 1.00 0.75 H new ATOM 0 HE2 LYS A 62 -14.536 12.856 17.853 1.00 0.93 H new ATOM 0 HE3 LYS A 62 -12.916 13.519 17.760 1.00 0.93 H new ATOM 0 HZ1 LYS A 62 -14.576 15.257 17.757 1.00 1.04 H new ATOM 0 HZ2 LYS A 62 -13.740 15.251 16.279 1.00 1.04 H new ATOM 0 HZ3 LYS A 62 -15.310 14.609 16.370 1.00 1.04 H new ATOM 703 N ASP A 63 -13.480 8.027 17.362 1.00 0.53 N ATOM 704 CA ASP A 63 -14.498 7.432 18.212 1.00 0.55 C ATOM 705 C ASP A 63 -15.562 8.492 18.496 1.00 0.57 C ATOM 706 O ASP A 63 -15.242 9.582 18.974 1.00 0.62 O ATOM 707 CB ASP A 63 -13.857 6.926 19.515 1.00 0.61 C ATOM 708 CG ASP A 63 -14.825 6.181 20.415 1.00 0.65 C ATOM 709 OD1 ASP A 63 -15.796 6.799 20.888 1.00 0.92 O ATOM 710 OD2 ASP A 63 -14.605 4.980 20.676 1.00 1.09 O ATOM 0 H ASP A 63 -12.628 8.293 17.855 1.00 0.53 H new ATOM 0 HA ASP A 63 -14.962 6.579 17.718 1.00 0.55 H new ATOM 0 HB2 ASP A 63 -13.023 6.269 19.269 1.00 0.61 H new ATOM 0 HB3 ASP A 63 -13.445 7.774 20.061 1.00 0.61 H new ATOM 715 N ARG A 64 -16.820 8.181 18.201 1.00 0.58 N ATOM 716 CA ARG A 64 -17.911 9.140 18.380 1.00 0.61 C ATOM 717 C ARG A 64 -18.340 9.298 19.837 1.00 0.66 C ATOM 718 O ARG A 64 -19.189 10.133 20.145 1.00 0.75 O ATOM 719 CB ARG A 64 -19.121 8.733 17.535 1.00 0.63 C ATOM 720 CG ARG A 64 -18.881 8.820 16.037 1.00 0.63 C ATOM 721 CD ARG A 64 -20.046 8.236 15.252 1.00 0.65 C ATOM 722 NE ARG A 64 -21.272 9.010 15.440 1.00 0.78 N ATOM 723 CZ ARG A 64 -22.496 8.485 15.484 1.00 0.91 C ATOM 724 NH1 ARG A 64 -22.672 7.171 15.350 1.00 0.99 N ATOM 725 NH2 ARG A 64 -23.547 9.279 15.642 1.00 1.14 N ATOM 0 H ARG A 64 -17.112 7.274 17.837 1.00 0.58 H new ATOM 0 HA ARG A 64 -17.526 10.105 18.050 1.00 0.61 H new ATOM 0 HB2 ARG A 64 -19.403 7.711 17.789 1.00 0.63 H new ATOM 0 HB3 ARG A 64 -19.965 9.371 17.796 1.00 0.63 H new ATOM 0 HG2 ARG A 64 -18.733 9.861 15.751 1.00 0.63 H new ATOM 0 HG3 ARG A 64 -17.965 8.287 15.782 1.00 0.63 H new ATOM 0 HD2 ARG A 64 -19.793 8.209 14.192 1.00 0.65 H new ATOM 0 HD3 ARG A 64 -20.215 7.206 15.566 1.00 0.65 H new ATOM 0 HE ARG A 64 -21.184 10.021 15.545 1.00 0.78 H new ATOM 0 HH11 ARG A 64 -21.867 6.560 15.213 1.00 0.99 H new ATOM 0 HH12 ARG A 64 -23.612 6.776 15.385 1.00 0.99 H new ATOM 0 HH21 ARG A 64 -23.416 10.287 15.729 1.00 1.14 H new ATOM 0 HH22 ARG A 64 -24.486 8.882 15.676 1.00 1.14 H new ATOM 739 N THR A 65 -17.760 8.518 20.729 1.00 0.68 N ATOM 740 CA THR A 65 -18.115 8.598 22.136 1.00 0.74 C ATOM 741 C THR A 65 -17.082 9.405 22.917 1.00 0.75 C ATOM 742 O THR A 65 -17.423 10.380 23.591 1.00 0.83 O ATOM 743 CB THR A 65 -18.252 7.199 22.768 1.00 0.76 C ATOM 744 OG1 THR A 65 -18.167 6.184 21.752 1.00 0.88 O ATOM 745 CG2 THR A 65 -19.575 7.068 23.506 1.00 0.93 C ATOM 0 H THR A 65 -17.045 7.825 20.508 1.00 0.68 H new ATOM 0 HA THR A 65 -19.080 9.101 22.190 1.00 0.74 H new ATOM 0 HB THR A 65 -17.437 7.068 23.480 1.00 0.76 H new ATOM 0 HG1 THR A 65 -17.226 5.981 21.571 1.00 0.88 H new ATOM 0 HG21 THR A 65 -19.650 6.073 23.944 1.00 0.93 H new ATOM 0 HG22 THR A 65 -19.627 7.817 24.296 1.00 0.93 H new ATOM 0 HG23 THR A 65 -20.398 7.220 22.808 1.00 0.93 H new ATOM 753 N SER A 66 -15.818 9.007 22.817 1.00 0.71 N ATOM 754 CA SER A 66 -14.745 9.696 23.525 1.00 0.75 C ATOM 755 C SER A 66 -14.282 10.923 22.746 1.00 0.73 C ATOM 756 O SER A 66 -13.837 11.916 23.331 1.00 0.79 O ATOM 757 CB SER A 66 -13.569 8.745 23.749 1.00 0.75 C ATOM 758 OG SER A 66 -13.283 8.011 22.572 1.00 0.75 O ATOM 0 H SER A 66 -15.512 8.213 22.254 1.00 0.71 H new ATOM 0 HA SER A 66 -15.128 10.026 24.491 1.00 0.75 H new ATOM 0 HB2 SER A 66 -12.689 9.313 24.051 1.00 0.75 H new ATOM 0 HB3 SER A 66 -13.801 8.059 24.563 1.00 0.75 H new ATOM 0 HG SER A 66 -12.527 7.410 22.737 1.00 0.75 H new ATOM 764 N GLY A 67 -14.401 10.852 21.429 1.00 0.67 N ATOM 765 CA GLY A 67 -13.982 11.949 20.580 1.00 0.67 C ATOM 766 C GLY A 67 -12.498 11.911 20.302 1.00 0.65 C ATOM 767 O GLY A 67 -11.904 12.912 19.903 1.00 0.70 O ATOM 0 H GLY A 67 -14.783 10.049 20.930 1.00 0.67 H new ATOM 0 HA2 GLY A 67 -14.529 11.908 19.638 1.00 0.67 H new ATOM 0 HA3 GLY A 67 -14.238 12.895 21.057 1.00 0.67 H new ATOM 771 N ASN A 68 -11.893 10.753 20.513 1.00 0.63 N ATOM 772 CA ASN A 68 -10.464 10.591 20.290 1.00 0.63 C ATOM 773 C ASN A 68 -10.203 9.943 18.941 1.00 0.58 C ATOM 774 O ASN A 68 -10.981 9.108 18.478 1.00 0.58 O ATOM 775 CB ASN A 68 -9.828 9.743 21.394 1.00 0.68 C ATOM 776 CG ASN A 68 -9.823 10.429 22.748 1.00 0.85 C ATOM 777 OD1 ASN A 68 -9.799 11.659 22.843 1.00 1.01 O ATOM 778 ND2 ASN A 68 -9.836 9.632 23.805 1.00 1.01 N ATOM 0 H ASN A 68 -12.368 9.911 20.838 1.00 0.63 H new ATOM 0 HA ASN A 68 -10.014 11.583 20.305 1.00 0.63 H new ATOM 0 HB2 ASN A 68 -10.367 8.799 21.474 1.00 0.68 H new ATOM 0 HB3 ASN A 68 -8.803 9.502 21.113 1.00 0.68 H new ATOM 0 HD21 ASN A 68 -9.826 10.030 24.744 1.00 1.01 H new ATOM 0 HD22 ASN A 68 -9.856 8.620 23.680 1.00 1.01 H new ATOM 785 N VAL A 69 -9.111 10.343 18.308 1.00 0.56 N ATOM 786 CA VAL A 69 -8.733 9.790 17.021 1.00 0.53 C ATOM 787 C VAL A 69 -7.776 8.625 17.235 1.00 0.51 C ATOM 788 O VAL A 69 -6.650 8.814 17.705 1.00 0.59 O ATOM 789 CB VAL A 69 -8.063 10.847 16.124 1.00 0.57 C ATOM 790 CG1 VAL A 69 -7.941 10.338 14.699 1.00 0.60 C ATOM 791 CG2 VAL A 69 -8.839 12.156 16.167 1.00 0.63 C ATOM 0 H VAL A 69 -8.471 11.051 18.668 1.00 0.56 H new ATOM 0 HA VAL A 69 -9.638 9.449 16.519 1.00 0.53 H new ATOM 0 HB VAL A 69 -7.059 11.035 16.505 1.00 0.57 H new ATOM 0 HG11 VAL A 69 -7.465 11.099 14.080 1.00 0.60 H new ATOM 0 HG12 VAL A 69 -7.337 9.431 14.687 1.00 0.60 H new ATOM 0 HG13 VAL A 69 -8.933 10.118 14.305 1.00 0.60 H new ATOM 0 HG21 VAL A 69 -8.350 12.890 15.527 1.00 0.63 H new ATOM 0 HG22 VAL A 69 -9.856 11.988 15.814 1.00 0.63 H new ATOM 0 HG23 VAL A 69 -8.867 12.529 17.191 1.00 0.63 H new ATOM 801 N GLU A 70 -8.231 7.426 16.904 1.00 0.49 N ATOM 802 CA GLU A 70 -7.425 6.229 17.096 1.00 0.51 C ATOM 803 C GLU A 70 -6.403 6.056 15.985 1.00 0.50 C ATOM 804 O GLU A 70 -5.195 6.046 16.227 1.00 0.62 O ATOM 805 CB GLU A 70 -8.318 4.987 17.167 1.00 0.55 C ATOM 806 CG GLU A 70 -9.458 5.108 18.162 1.00 0.81 C ATOM 807 CD GLU A 70 -9.903 3.764 18.700 1.00 0.68 C ATOM 808 OE1 GLU A 70 -10.144 2.833 17.898 1.00 0.69 O ATOM 809 OE2 GLU A 70 -10.018 3.629 19.935 1.00 0.71 O ATOM 0 H GLU A 70 -9.153 7.256 16.502 1.00 0.49 H new ATOM 0 HA GLU A 70 -6.890 6.347 18.038 1.00 0.51 H new ATOM 0 HB2 GLU A 70 -8.731 4.791 16.178 1.00 0.55 H new ATOM 0 HB3 GLU A 70 -7.706 4.125 17.433 1.00 0.55 H new ATOM 0 HG2 GLU A 70 -9.146 5.743 18.992 1.00 0.81 H new ATOM 0 HG3 GLU A 70 -10.303 5.602 17.683 1.00 0.81 H new ATOM 816 N ASP A 71 -6.888 5.935 14.766 1.00 0.47 N ATOM 817 CA ASP A 71 -6.020 5.723 13.623 1.00 0.46 C ATOM 818 C ASP A 71 -5.931 6.963 12.745 1.00 0.43 C ATOM 819 O ASP A 71 -6.918 7.670 12.553 1.00 0.46 O ATOM 820 CB ASP A 71 -6.534 4.543 12.795 1.00 0.51 C ATOM 821 CG ASP A 71 -6.656 3.262 13.601 1.00 0.57 C ATOM 822 OD1 ASP A 71 -5.666 2.503 13.675 1.00 0.73 O ATOM 823 OD2 ASP A 71 -7.742 3.005 14.164 1.00 0.61 O ATOM 0 H ASP A 71 -7.882 5.980 14.540 1.00 0.47 H new ATOM 0 HA ASP A 71 -5.020 5.506 14.000 1.00 0.46 H new ATOM 0 HB2 ASP A 71 -7.508 4.797 12.376 1.00 0.51 H new ATOM 0 HB3 ASP A 71 -5.860 4.375 11.955 1.00 0.51 H new ATOM 828 N ASP A 72 -4.734 7.216 12.232 1.00 0.43 N ATOM 829 CA ASP A 72 -4.473 8.347 11.342 1.00 0.42 C ATOM 830 C ASP A 72 -3.370 7.951 10.376 1.00 0.42 C ATOM 831 O ASP A 72 -2.212 7.821 10.777 1.00 0.52 O ATOM 832 CB ASP A 72 -4.051 9.594 12.131 1.00 0.48 C ATOM 833 CG ASP A 72 -3.914 10.838 11.259 1.00 0.59 C ATOM 834 OD1 ASP A 72 -3.011 10.882 10.387 1.00 1.05 O ATOM 835 OD2 ASP A 72 -4.704 11.785 11.449 1.00 0.99 O ATOM 0 H ASP A 72 -3.912 6.642 12.420 1.00 0.43 H new ATOM 0 HA ASP A 72 -5.387 8.593 10.802 1.00 0.42 H new ATOM 0 HB2 ASP A 72 -4.784 9.786 12.914 1.00 0.48 H new ATOM 0 HB3 ASP A 72 -3.100 9.398 12.626 1.00 0.48 H new ATOM 840 N LEU A 73 -3.722 7.734 9.121 1.00 0.36 N ATOM 841 CA LEU A 73 -2.743 7.327 8.123 1.00 0.38 C ATOM 842 C LEU A 73 -2.668 8.328 6.981 1.00 0.34 C ATOM 843 O LEU A 73 -3.668 8.948 6.614 1.00 0.42 O ATOM 844 CB LEU A 73 -3.096 5.942 7.579 1.00 0.44 C ATOM 845 CG LEU A 73 -2.911 4.787 8.564 1.00 0.66 C ATOM 846 CD1 LEU A 73 -3.483 3.503 7.982 1.00 0.93 C ATOM 847 CD2 LEU A 73 -1.441 4.609 8.911 1.00 0.92 C ATOM 0 H LEU A 73 -4.674 7.832 8.768 1.00 0.36 H new ATOM 0 HA LEU A 73 -1.766 7.290 8.605 1.00 0.38 H new ATOM 0 HB2 LEU A 73 -4.135 5.953 7.249 1.00 0.44 H new ATOM 0 HB3 LEU A 73 -2.483 5.749 6.698 1.00 0.44 H new ATOM 0 HG LEU A 73 -3.450 5.023 9.481 1.00 0.66 H new ATOM 0 HD11 LEU A 73 -3.345 2.688 8.693 1.00 0.93 H new ATOM 0 HD12 LEU A 73 -4.547 3.636 7.784 1.00 0.93 H new ATOM 0 HD13 LEU A 73 -2.968 3.264 7.052 1.00 0.93 H new ATOM 0 HD21 LEU A 73 -1.330 3.782 9.613 1.00 0.92 H new ATOM 0 HD22 LEU A 73 -0.877 4.393 8.004 1.00 0.92 H new ATOM 0 HD23 LEU A 73 -1.061 5.524 9.365 1.00 0.92 H new ATOM 859 N ILE A 74 -1.471 8.486 6.436 1.00 0.29 N ATOM 860 CA ILE A 74 -1.247 9.395 5.324 1.00 0.28 C ATOM 861 C ILE A 74 -1.507 8.668 4.009 1.00 0.30 C ATOM 862 O ILE A 74 -0.844 7.684 3.690 1.00 0.51 O ATOM 863 CB ILE A 74 0.192 9.945 5.328 1.00 0.30 C ATOM 864 CG1 ILE A 74 0.697 10.126 6.763 1.00 0.43 C ATOM 865 CG2 ILE A 74 0.241 11.266 4.580 1.00 0.33 C ATOM 866 CD1 ILE A 74 2.198 10.273 6.866 1.00 0.59 C ATOM 0 H ILE A 74 -0.635 7.992 6.749 1.00 0.29 H new ATOM 0 HA ILE A 74 -1.934 10.235 5.431 1.00 0.28 H new ATOM 0 HB ILE A 74 0.842 9.228 4.826 1.00 0.30 H new ATOM 0 HG12 ILE A 74 0.224 11.007 7.197 1.00 0.43 H new ATOM 0 HG13 ILE A 74 0.383 9.270 7.360 1.00 0.43 H new ATOM 0 HG21 ILE A 74 1.261 11.650 4.586 1.00 0.33 H new ATOM 0 HG22 ILE A 74 -0.083 11.113 3.551 1.00 0.33 H new ATOM 0 HG23 ILE A 74 -0.420 11.984 5.066 1.00 0.33 H new ATOM 0 HD11 ILE A 74 2.481 10.397 7.911 1.00 0.59 H new ATOM 0 HD12 ILE A 74 2.679 9.382 6.463 1.00 0.59 H new ATOM 0 HD13 ILE A 74 2.518 11.146 6.298 1.00 0.59 H new ATOM 878 N ILE A 75 -2.464 9.153 3.246 1.00 0.24 N ATOM 879 CA ILE A 75 -2.827 8.509 1.997 1.00 0.23 C ATOM 880 C ILE A 75 -2.179 9.179 0.787 1.00 0.24 C ATOM 881 O ILE A 75 -2.038 10.403 0.734 1.00 0.26 O ATOM 882 CB ILE A 75 -4.357 8.487 1.813 1.00 0.27 C ATOM 883 CG1 ILE A 75 -5.043 7.912 3.060 1.00 0.28 C ATOM 884 CG2 ILE A 75 -4.732 7.686 0.581 1.00 0.32 C ATOM 885 CD1 ILE A 75 -4.662 6.480 3.368 1.00 0.31 C ATOM 0 H ILE A 75 -3.005 9.989 3.466 1.00 0.24 H new ATOM 0 HA ILE A 75 -2.452 7.487 2.057 1.00 0.23 H new ATOM 0 HB ILE A 75 -4.701 9.512 1.675 1.00 0.27 H new ATOM 0 HG12 ILE A 75 -4.795 8.536 3.919 1.00 0.28 H new ATOM 0 HG13 ILE A 75 -6.123 7.969 2.926 1.00 0.28 H new ATOM 0 HG21 ILE A 75 -5.816 7.681 0.466 1.00 0.32 H new ATOM 0 HG22 ILE A 75 -4.276 8.138 -0.300 1.00 0.32 H new ATOM 0 HG23 ILE A 75 -4.374 6.662 0.690 1.00 0.32 H new ATOM 0 HD11 ILE A 75 -5.188 6.148 4.263 1.00 0.31 H new ATOM 0 HD12 ILE A 75 -4.936 5.842 2.528 1.00 0.31 H new ATOM 0 HD13 ILE A 75 -3.587 6.418 3.536 1.00 0.31 H new ATOM 897 N PHE A 76 -1.782 8.347 -0.173 1.00 0.27 N ATOM 898 CA PHE A 76 -1.159 8.798 -1.409 1.00 0.31 C ATOM 899 C PHE A 76 -1.737 8.003 -2.579 1.00 0.32 C ATOM 900 O PHE A 76 -2.164 6.858 -2.396 1.00 0.35 O ATOM 901 CB PHE A 76 0.362 8.605 -1.357 1.00 0.34 C ATOM 902 CG PHE A 76 1.040 9.371 -0.258 1.00 0.39 C ATOM 903 CD1 PHE A 76 1.456 10.675 -0.455 1.00 0.50 C ATOM 904 CD2 PHE A 76 1.262 8.781 0.973 1.00 0.40 C ATOM 905 CE1 PHE A 76 2.081 11.376 0.556 1.00 0.58 C ATOM 906 CE2 PHE A 76 1.886 9.473 1.989 1.00 0.50 C ATOM 907 CZ PHE A 76 2.298 10.777 1.781 1.00 0.58 C ATOM 0 H PHE A 76 -1.886 7.334 -0.112 1.00 0.27 H new ATOM 0 HA PHE A 76 -1.365 9.860 -1.539 1.00 0.31 H new ATOM 0 HB2 PHE A 76 0.579 7.544 -1.233 1.00 0.34 H new ATOM 0 HB3 PHE A 76 0.789 8.908 -2.313 1.00 0.34 H new ATOM 0 HD1 PHE A 76 1.290 11.150 -1.411 1.00 0.50 H new ATOM 0 HD2 PHE A 76 0.942 7.763 1.141 1.00 0.40 H new ATOM 0 HE1 PHE A 76 2.401 12.394 0.389 1.00 0.58 H new ATOM 0 HE2 PHE A 76 2.053 8.998 2.945 1.00 0.50 H new ATOM 0 HZ PHE A 76 2.787 11.324 2.573 1.00 0.58 H new ATOM 917 N PRO A 77 -1.763 8.581 -3.790 1.00 0.36 N ATOM 918 CA PRO A 77 -2.296 7.904 -4.976 1.00 0.38 C ATOM 919 C PRO A 77 -1.412 6.743 -5.436 1.00 0.33 C ATOM 920 O PRO A 77 -0.393 6.446 -4.812 1.00 0.33 O ATOM 921 CB PRO A 77 -2.327 9.005 -6.049 1.00 0.45 C ATOM 922 CG PRO A 77 -2.071 10.288 -5.333 1.00 0.55 C ATOM 923 CD PRO A 77 -1.283 9.934 -4.108 1.00 0.44 C ATOM 0 HA PRO A 77 -3.271 7.460 -4.775 1.00 0.38 H new ATOM 0 HB2 PRO A 77 -1.569 8.827 -6.812 1.00 0.45 H new ATOM 0 HB3 PRO A 77 -3.291 9.028 -6.556 1.00 0.45 H new ATOM 0 HG2 PRO A 77 -1.517 10.982 -5.965 1.00 0.55 H new ATOM 0 HG3 PRO A 77 -3.007 10.778 -5.065 1.00 0.55 H new ATOM 0 HD2 PRO A 77 -0.210 9.948 -4.300 1.00 0.44 H new ATOM 0 HD3 PRO A 77 -1.470 10.632 -3.292 1.00 0.44 H new ATOM 931 N ASP A 78 -1.821 6.109 -6.540 1.00 0.40 N ATOM 932 CA ASP A 78 -1.105 4.968 -7.146 1.00 0.46 C ATOM 933 C ASP A 78 -0.740 3.907 -6.107 1.00 0.45 C ATOM 934 O ASP A 78 0.301 3.253 -6.220 1.00 0.60 O ATOM 935 CB ASP A 78 0.178 5.400 -7.904 1.00 0.53 C ATOM 936 CG ASP A 78 0.387 6.899 -7.973 1.00 0.98 C ATOM 937 OD1 ASP A 78 -0.302 7.561 -8.777 1.00 1.34 O ATOM 938 OD2 ASP A 78 1.258 7.420 -7.245 1.00 1.36 O ATOM 0 H ASP A 78 -2.666 6.372 -7.047 1.00 0.40 H new ATOM 0 HA ASP A 78 -1.802 4.540 -7.867 1.00 0.46 H new ATOM 0 HB2 ASP A 78 1.042 4.946 -7.419 1.00 0.53 H new ATOM 0 HB3 ASP A 78 0.137 5.004 -8.919 1.00 0.53 H new ATOM 943 N ASP A 79 -1.591 3.719 -5.101 1.00 0.53 N ATOM 944 CA ASP A 79 -1.309 2.736 -4.060 1.00 0.61 C ATOM 945 C ASP A 79 -2.555 2.376 -3.265 1.00 0.59 C ATOM 946 O ASP A 79 -3.049 1.252 -3.330 1.00 1.11 O ATOM 947 CB ASP A 79 -0.249 3.277 -3.100 1.00 0.80 C ATOM 948 CG ASP A 79 0.737 2.216 -2.672 1.00 1.12 C ATOM 949 OD1 ASP A 79 0.325 1.257 -1.989 1.00 1.74 O ATOM 950 OD2 ASP A 79 1.934 2.339 -3.033 1.00 1.44 O ATOM 0 H ASP A 79 -2.468 4.226 -4.985 1.00 0.53 H new ATOM 0 HA ASP A 79 -0.946 1.836 -4.557 1.00 0.61 H new ATOM 0 HB2 ASP A 79 0.288 4.095 -3.580 1.00 0.80 H new ATOM 0 HB3 ASP A 79 -0.739 3.691 -2.218 1.00 0.80 H new ATOM 955 N CYS A 80 -3.052 3.344 -2.511 1.00 0.50 N ATOM 956 CA CYS A 80 -4.223 3.148 -1.669 1.00 0.46 C ATOM 957 C CYS A 80 -5.479 2.880 -2.501 1.00 0.43 C ATOM 958 O CYS A 80 -5.654 3.446 -3.587 1.00 0.60 O ATOM 959 CB CYS A 80 -4.411 4.372 -0.780 1.00 0.63 C ATOM 960 SG CYS A 80 -2.851 5.057 -0.168 1.00 0.90 S ATOM 0 H CYS A 80 -2.658 4.284 -2.465 1.00 0.50 H new ATOM 0 HA CYS A 80 -4.062 2.268 -1.047 1.00 0.46 H new ATOM 0 HB2 CYS A 80 -4.943 5.141 -1.340 1.00 0.63 H new ATOM 0 HB3 CYS A 80 -5.040 4.103 0.069 1.00 0.63 H new ATOM 0 HG CYS A 80 -2.230 5.657 -1.140 1.00 0.90 H new ATOM 966 N GLU A 81 -6.344 2.015 -1.987 1.00 0.34 N ATOM 967 CA GLU A 81 -7.575 1.660 -2.676 1.00 0.39 C ATOM 968 C GLU A 81 -8.643 1.204 -1.680 1.00 0.36 C ATOM 969 O GLU A 81 -8.371 0.402 -0.782 1.00 0.45 O ATOM 970 CB GLU A 81 -7.299 0.551 -3.691 1.00 0.49 C ATOM 971 CG GLU A 81 -8.418 0.347 -4.697 1.00 0.74 C ATOM 972 CD GLU A 81 -8.101 -0.757 -5.681 1.00 0.94 C ATOM 973 OE1 GLU A 81 -7.349 -0.502 -6.647 1.00 1.32 O ATOM 974 OE2 GLU A 81 -8.595 -1.891 -5.493 1.00 1.15 O ATOM 0 H GLU A 81 -6.213 1.545 -1.091 1.00 0.34 H new ATOM 0 HA GLU A 81 -7.947 2.542 -3.197 1.00 0.39 H new ATOM 0 HB2 GLU A 81 -6.379 0.783 -4.227 1.00 0.49 H new ATOM 0 HB3 GLU A 81 -7.129 -0.384 -3.156 1.00 0.49 H new ATOM 0 HG2 GLU A 81 -9.341 0.108 -4.169 1.00 0.74 H new ATOM 0 HG3 GLU A 81 -8.592 1.277 -5.239 1.00 0.74 H new ATOM 981 N PHE A 82 -9.850 1.723 -1.842 1.00 0.34 N ATOM 982 CA PHE A 82 -10.968 1.379 -0.977 1.00 0.32 C ATOM 983 C PHE A 82 -12.042 0.662 -1.790 1.00 0.33 C ATOM 984 O PHE A 82 -12.484 1.168 -2.819 1.00 0.42 O ATOM 985 CB PHE A 82 -11.535 2.656 -0.346 1.00 0.35 C ATOM 986 CG PHE A 82 -12.479 2.424 0.802 1.00 0.34 C ATOM 987 CD1 PHE A 82 -12.120 1.608 1.862 1.00 0.43 C ATOM 988 CD2 PHE A 82 -13.721 3.038 0.828 1.00 0.44 C ATOM 989 CE1 PHE A 82 -12.981 1.408 2.925 1.00 0.48 C ATOM 990 CE2 PHE A 82 -14.587 2.840 1.886 1.00 0.47 C ATOM 991 CZ PHE A 82 -14.216 2.024 2.937 1.00 0.43 C ATOM 0 H PHE A 82 -10.082 2.393 -2.575 1.00 0.34 H new ATOM 0 HA PHE A 82 -10.629 0.714 -0.183 1.00 0.32 H new ATOM 0 HB2 PHE A 82 -10.706 3.272 0.002 1.00 0.35 H new ATOM 0 HB3 PHE A 82 -12.054 3.226 -1.116 1.00 0.35 H new ATOM 0 HD1 PHE A 82 -11.156 1.122 1.858 1.00 0.43 H new ATOM 0 HD2 PHE A 82 -14.016 3.680 0.011 1.00 0.44 H new ATOM 0 HE1 PHE A 82 -12.687 0.770 3.746 1.00 0.48 H new ATOM 0 HE2 PHE A 82 -15.553 3.323 1.891 1.00 0.47 H new ATOM 0 HZ PHE A 82 -14.891 1.868 3.766 1.00 0.43 H new ATOM 1001 N LYS A 83 -12.451 -0.515 -1.340 1.00 0.34 N ATOM 1002 CA LYS A 83 -13.467 -1.281 -2.053 1.00 0.38 C ATOM 1003 C LYS A 83 -14.366 -2.037 -1.083 1.00 0.37 C ATOM 1004 O LYS A 83 -14.124 -2.046 0.124 1.00 0.38 O ATOM 1005 CB LYS A 83 -12.811 -2.253 -3.038 1.00 0.46 C ATOM 1006 CG LYS A 83 -11.619 -2.999 -2.459 1.00 0.53 C ATOM 1007 CD LYS A 83 -10.959 -3.889 -3.497 1.00 0.69 C ATOM 1008 CE LYS A 83 -9.602 -4.376 -3.027 1.00 1.06 C ATOM 1009 NZ LYS A 83 -8.543 -4.110 -4.036 1.00 1.44 N ATOM 0 H LYS A 83 -12.100 -0.959 -0.492 1.00 0.34 H new ATOM 0 HA LYS A 83 -14.086 -0.579 -2.612 1.00 0.38 H new ATOM 0 HB2 LYS A 83 -13.555 -2.977 -3.370 1.00 0.46 H new ATOM 0 HB3 LYS A 83 -12.489 -1.700 -3.920 1.00 0.46 H new ATOM 0 HG2 LYS A 83 -10.891 -2.283 -2.077 1.00 0.53 H new ATOM 0 HG3 LYS A 83 -11.944 -3.605 -1.613 1.00 0.53 H new ATOM 0 HD2 LYS A 83 -11.602 -4.744 -3.706 1.00 0.69 H new ATOM 0 HD3 LYS A 83 -10.846 -3.339 -4.431 1.00 0.69 H new ATOM 0 HE2 LYS A 83 -9.343 -3.884 -2.089 1.00 1.06 H new ATOM 0 HE3 LYS A 83 -9.650 -5.446 -2.823 1.00 1.06 H new ATOM 0 HZ1 LYS A 83 -7.613 -4.347 -3.634 1.00 1.44 H new ATOM 0 HZ2 LYS A 83 -8.714 -4.692 -4.880 1.00 1.44 H new ATOM 0 HZ3 LYS A 83 -8.560 -3.104 -4.300 1.00 1.44 H new ATOM 1023 N ARG A 84 -15.402 -2.667 -1.617 1.00 0.42 N ATOM 1024 CA ARG A 84 -16.347 -3.420 -0.807 1.00 0.43 C ATOM 1025 C ARG A 84 -16.144 -4.916 -1.003 1.00 0.44 C ATOM 1026 O ARG A 84 -15.939 -5.376 -2.127 1.00 0.49 O ATOM 1027 CB ARG A 84 -17.779 -3.044 -1.185 1.00 0.47 C ATOM 1028 CG ARG A 84 -18.825 -3.584 -0.226 1.00 0.57 C ATOM 1029 CD ARG A 84 -20.213 -3.538 -0.838 1.00 0.61 C ATOM 1030 NE ARG A 84 -20.351 -4.486 -1.940 1.00 0.71 N ATOM 1031 CZ ARG A 84 -21.423 -5.251 -2.139 1.00 0.78 C ATOM 1032 NH1 ARG A 84 -22.459 -5.192 -1.309 1.00 0.88 N ATOM 1033 NH2 ARG A 84 -21.449 -6.091 -3.166 1.00 0.96 N ATOM 0 H ARG A 84 -15.610 -2.671 -2.616 1.00 0.42 H new ATOM 0 HA ARG A 84 -16.174 -3.174 0.241 1.00 0.43 H new ATOM 0 HB2 ARG A 84 -17.862 -1.958 -1.225 1.00 0.47 H new ATOM 0 HB3 ARG A 84 -17.991 -3.417 -2.187 1.00 0.47 H new ATOM 0 HG2 ARG A 84 -18.578 -4.611 0.043 1.00 0.57 H new ATOM 0 HG3 ARG A 84 -18.812 -3.001 0.695 1.00 0.57 H new ATOM 0 HD2 ARG A 84 -20.956 -3.761 -0.072 1.00 0.61 H new ATOM 0 HD3 ARG A 84 -20.418 -2.530 -1.198 1.00 0.61 H new ATOM 0 HE ARG A 84 -19.577 -4.568 -2.599 1.00 0.71 H new ATOM 0 HH11 ARG A 84 -22.438 -4.557 -0.511 1.00 0.88 H new ATOM 0 HH12 ARG A 84 -23.276 -5.782 -1.470 1.00 0.88 H new ATOM 0 HH21 ARG A 84 -20.651 -6.148 -3.798 1.00 0.96 H new ATOM 0 HH22 ARG A 84 -22.267 -6.679 -3.323 1.00 0.96 H new ATOM 1047 N VAL A 85 -16.207 -5.669 0.088 1.00 0.45 N ATOM 1048 CA VAL A 85 -16.041 -7.117 0.032 1.00 0.49 C ATOM 1049 C VAL A 85 -17.319 -7.769 -0.490 1.00 0.55 C ATOM 1050 O VAL A 85 -18.377 -7.642 0.128 1.00 0.59 O ATOM 1051 CB VAL A 85 -15.705 -7.698 1.425 1.00 0.52 C ATOM 1052 CG1 VAL A 85 -15.415 -9.192 1.336 1.00 0.61 C ATOM 1053 CG2 VAL A 85 -14.527 -6.959 2.046 1.00 0.50 C ATOM 0 H VAL A 85 -16.372 -5.300 1.025 1.00 0.45 H new ATOM 0 HA VAL A 85 -15.212 -7.332 -0.643 1.00 0.49 H new ATOM 0 HB VAL A 85 -16.575 -7.559 2.067 1.00 0.52 H new ATOM 0 HG11 VAL A 85 -15.181 -9.577 2.329 1.00 0.61 H new ATOM 0 HG12 VAL A 85 -16.290 -9.710 0.943 1.00 0.61 H new ATOM 0 HG13 VAL A 85 -14.566 -9.359 0.673 1.00 0.61 H new ATOM 0 HG21 VAL A 85 -14.307 -7.383 3.026 1.00 0.50 H new ATOM 0 HG22 VAL A 85 -13.653 -7.060 1.402 1.00 0.50 H new ATOM 0 HG23 VAL A 85 -14.776 -5.904 2.155 1.00 0.50 H new ATOM 1063 N PRO A 86 -17.245 -8.469 -1.635 1.00 0.61 N ATOM 1064 CA PRO A 86 -18.416 -9.124 -2.229 1.00 0.69 C ATOM 1065 C PRO A 86 -18.895 -10.336 -1.429 1.00 0.68 C ATOM 1066 O PRO A 86 -20.077 -10.674 -1.443 1.00 0.77 O ATOM 1067 CB PRO A 86 -17.917 -9.560 -3.609 1.00 0.81 C ATOM 1068 CG PRO A 86 -16.437 -9.669 -3.480 1.00 0.80 C ATOM 1069 CD PRO A 86 -16.024 -8.661 -2.445 1.00 0.64 C ATOM 0 HA PRO A 86 -19.276 -8.455 -2.257 1.00 0.69 H new ATOM 0 HB2 PRO A 86 -18.357 -10.513 -3.902 1.00 0.81 H new ATOM 0 HB3 PRO A 86 -18.192 -8.833 -4.374 1.00 0.81 H new ATOM 0 HG2 PRO A 86 -16.147 -10.676 -3.179 1.00 0.80 H new ATOM 0 HG3 PRO A 86 -15.949 -9.468 -4.434 1.00 0.80 H new ATOM 0 HD2 PRO A 86 -15.195 -9.026 -1.839 1.00 0.64 H new ATOM 0 HD3 PRO A 86 -15.697 -7.728 -2.903 1.00 0.64 H new ATOM 1077 N GLN A 87 -17.980 -10.981 -0.721 1.00 0.67 N ATOM 1078 CA GLN A 87 -18.326 -12.158 0.064 1.00 0.70 C ATOM 1079 C GLN A 87 -18.717 -11.772 1.487 1.00 0.70 C ATOM 1080 O GLN A 87 -17.925 -11.916 2.426 1.00 1.01 O ATOM 1081 CB GLN A 87 -17.158 -13.148 0.079 1.00 0.78 C ATOM 1082 CG GLN A 87 -16.820 -13.709 -1.295 1.00 0.91 C ATOM 1083 CD GLN A 87 -18.026 -14.306 -1.996 1.00 1.00 C ATOM 1084 OE1 GLN A 87 -18.719 -13.628 -2.757 1.00 1.05 O ATOM 1085 NE2 GLN A 87 -18.291 -15.577 -1.741 1.00 1.21 N ATOM 0 H GLN A 87 -16.997 -10.712 -0.673 1.00 0.67 H new ATOM 0 HA GLN A 87 -19.186 -12.637 -0.403 1.00 0.70 H new ATOM 0 HB2 GLN A 87 -16.277 -12.652 0.487 1.00 0.78 H new ATOM 0 HB3 GLN A 87 -17.399 -13.972 0.750 1.00 0.78 H new ATOM 0 HG2 GLN A 87 -16.401 -12.916 -1.914 1.00 0.91 H new ATOM 0 HG3 GLN A 87 -16.050 -14.473 -1.192 1.00 0.91 H new ATOM 0 HE21 GLN A 87 -17.693 -16.105 -1.105 1.00 1.21 H new ATOM 0 HE22 GLN A 87 -19.093 -16.029 -2.180 1.00 1.21 H new ATOM 1094 N CYS A 88 -19.938 -11.275 1.639 1.00 0.73 N ATOM 1095 CA CYS A 88 -20.450 -10.863 2.935 1.00 0.71 C ATOM 1096 C CYS A 88 -21.976 -10.824 2.912 1.00 0.71 C ATOM 1097 O CYS A 88 -22.567 -10.156 2.062 1.00 0.74 O ATOM 1098 CB CYS A 88 -19.904 -9.479 3.307 1.00 0.73 C ATOM 1099 SG CYS A 88 -20.588 -8.807 4.838 1.00 1.44 S ATOM 0 H CYS A 88 -20.596 -11.148 0.870 1.00 0.73 H new ATOM 0 HA CYS A 88 -20.123 -11.587 3.681 1.00 0.71 H new ATOM 0 HB2 CYS A 88 -18.820 -9.541 3.402 1.00 0.73 H new ATOM 0 HB3 CYS A 88 -20.114 -8.786 2.492 1.00 0.73 H new ATOM 0 HG CYS A 88 -20.808 -7.534 4.693 1.00 1.44 H new ATOM 1105 N PRO A 89 -22.633 -11.544 3.841 1.00 0.75 N ATOM 1106 CA PRO A 89 -24.100 -11.584 3.933 1.00 0.79 C ATOM 1107 C PRO A 89 -24.703 -10.190 4.107 1.00 0.74 C ATOM 1108 O PRO A 89 -25.753 -9.876 3.538 1.00 0.79 O ATOM 1109 CB PRO A 89 -24.362 -12.429 5.184 1.00 0.88 C ATOM 1110 CG PRO A 89 -23.128 -13.235 5.382 1.00 0.92 C ATOM 1111 CD PRO A 89 -21.996 -12.396 4.862 1.00 0.81 C ATOM 0 HA PRO A 89 -24.551 -11.989 3.027 1.00 0.79 H new ATOM 0 HB2 PRO A 89 -24.562 -11.798 6.050 1.00 0.88 H new ATOM 0 HB3 PRO A 89 -25.233 -13.071 5.049 1.00 0.88 H new ATOM 0 HG2 PRO A 89 -22.984 -13.475 6.435 1.00 0.92 H new ATOM 0 HG3 PRO A 89 -23.190 -14.182 4.845 1.00 0.92 H new ATOM 0 HD2 PRO A 89 -21.542 -11.800 5.654 1.00 0.81 H new ATOM 0 HD3 PRO A 89 -21.205 -13.012 4.433 1.00 0.81 H new ATOM 1119 N SER A 90 -24.036 -9.363 4.903 1.00 0.71 N ATOM 1120 CA SER A 90 -24.492 -8.005 5.148 1.00 0.71 C ATOM 1121 C SER A 90 -24.240 -7.137 3.916 1.00 0.65 C ATOM 1122 O SER A 90 -25.075 -6.316 3.537 1.00 0.72 O ATOM 1123 CB SER A 90 -23.772 -7.433 6.373 1.00 0.75 C ATOM 1124 OG SER A 90 -23.645 -8.420 7.384 1.00 0.85 O ATOM 0 H SER A 90 -23.175 -9.612 5.390 1.00 0.71 H new ATOM 0 HA SER A 90 -25.564 -8.013 5.346 1.00 0.71 H new ATOM 0 HB2 SER A 90 -22.785 -7.071 6.085 1.00 0.75 H new ATOM 0 HB3 SER A 90 -24.325 -6.577 6.760 1.00 0.75 H new ATOM 0 HG SER A 90 -23.181 -8.038 8.158 1.00 0.85 H new ATOM 1130 N GLY A 91 -23.082 -7.338 3.291 1.00 0.60 N ATOM 1131 CA GLY A 91 -22.733 -6.590 2.096 1.00 0.60 C ATOM 1132 C GLY A 91 -22.424 -5.133 2.370 1.00 0.57 C ATOM 1133 O GLY A 91 -22.491 -4.304 1.464 1.00 0.64 O ATOM 0 H GLY A 91 -22.376 -8.009 3.594 1.00 0.60 H new ATOM 0 HA2 GLY A 91 -21.867 -7.055 1.624 1.00 0.60 H new ATOM 0 HA3 GLY A 91 -23.556 -6.652 1.384 1.00 0.60 H new ATOM 1137 N ARG A 92 -22.083 -4.815 3.614 1.00 0.52 N ATOM 1138 CA ARG A 92 -21.765 -3.443 3.991 1.00 0.51 C ATOM 1139 C ARG A 92 -20.363 -3.361 4.573 1.00 0.48 C ATOM 1140 O ARG A 92 -19.987 -2.366 5.195 1.00 0.48 O ATOM 1141 CB ARG A 92 -22.786 -2.906 4.997 1.00 0.54 C ATOM 1142 CG ARG A 92 -24.215 -2.916 4.476 1.00 0.58 C ATOM 1143 CD ARG A 92 -25.121 -2.032 5.313 1.00 0.61 C ATOM 1144 NE ARG A 92 -24.935 -0.613 5.017 1.00 0.59 N ATOM 1145 CZ ARG A 92 -25.432 0.373 5.761 1.00 0.59 C ATOM 1146 NH1 ARG A 92 -26.140 0.099 6.852 1.00 0.62 N ATOM 1147 NH2 ARG A 92 -25.235 1.632 5.409 1.00 0.60 N ATOM 0 H ARG A 92 -22.020 -5.488 4.378 1.00 0.52 H new ATOM 0 HA ARG A 92 -21.808 -2.827 3.093 1.00 0.51 H new ATOM 0 HB2 ARG A 92 -22.736 -3.503 5.908 1.00 0.54 H new ATOM 0 HB3 ARG A 92 -22.514 -1.886 5.269 1.00 0.54 H new ATOM 0 HG2 ARG A 92 -24.228 -2.575 3.441 1.00 0.58 H new ATOM 0 HG3 ARG A 92 -24.597 -3.937 4.480 1.00 0.58 H new ATOM 0 HD2 ARG A 92 -26.161 -2.306 5.132 1.00 0.61 H new ATOM 0 HD3 ARG A 92 -24.924 -2.210 6.370 1.00 0.61 H new ATOM 0 HE ARG A 92 -24.392 -0.363 4.191 1.00 0.59 H new ATOM 0 HH11 ARG A 92 -26.305 -0.870 7.123 1.00 0.62 H new ATOM 0 HH12 ARG A 92 -26.518 0.858 7.418 1.00 0.62 H new ATOM 0 HH21 ARG A 92 -24.702 1.849 4.567 1.00 0.60 H new ATOM 0 HH22 ARG A 92 -25.616 2.387 5.980 1.00 0.60 H new ATOM 1161 N VAL A 93 -19.595 -4.421 4.368 1.00 0.47 N ATOM 1162 CA VAL A 93 -18.229 -4.481 4.858 1.00 0.45 C ATOM 1163 C VAL A 93 -17.272 -4.012 3.772 1.00 0.41 C ATOM 1164 O VAL A 93 -17.203 -4.599 2.689 1.00 0.43 O ATOM 1165 CB VAL A 93 -17.846 -5.907 5.310 1.00 0.48 C ATOM 1166 CG1 VAL A 93 -16.369 -5.987 5.676 1.00 0.47 C ATOM 1167 CG2 VAL A 93 -18.711 -6.340 6.485 1.00 0.56 C ATOM 0 H VAL A 93 -19.898 -5.254 3.863 1.00 0.47 H new ATOM 0 HA VAL A 93 -18.156 -3.825 5.725 1.00 0.45 H new ATOM 0 HB VAL A 93 -18.023 -6.587 4.476 1.00 0.48 H new ATOM 0 HG11 VAL A 93 -16.127 -7.002 5.991 1.00 0.47 H new ATOM 0 HG12 VAL A 93 -15.764 -5.722 4.809 1.00 0.47 H new ATOM 0 HG13 VAL A 93 -16.158 -5.294 6.491 1.00 0.47 H new ATOM 0 HG21 VAL A 93 -18.429 -7.347 6.792 1.00 0.56 H new ATOM 0 HG22 VAL A 93 -18.564 -5.652 7.318 1.00 0.56 H new ATOM 0 HG23 VAL A 93 -19.760 -6.331 6.188 1.00 0.56 H new ATOM 1177 N TYR A 94 -16.553 -2.946 4.060 1.00 0.39 N ATOM 1178 CA TYR A 94 -15.614 -2.380 3.114 1.00 0.37 C ATOM 1179 C TYR A 94 -14.189 -2.624 3.582 1.00 0.35 C ATOM 1180 O TYR A 94 -13.941 -2.800 4.775 1.00 0.37 O ATOM 1181 CB TYR A 94 -15.885 -0.887 2.939 1.00 0.38 C ATOM 1182 CG TYR A 94 -17.132 -0.593 2.126 1.00 0.41 C ATOM 1183 CD1 TYR A 94 -18.398 -0.856 2.635 1.00 0.44 C ATOM 1184 CD2 TYR A 94 -17.037 -0.073 0.842 1.00 0.42 C ATOM 1185 CE1 TYR A 94 -19.533 -0.611 1.889 1.00 0.47 C ATOM 1186 CE2 TYR A 94 -18.171 0.178 0.092 1.00 0.46 C ATOM 1187 CZ TYR A 94 -19.413 -0.094 0.619 1.00 0.48 C ATOM 1188 OH TYR A 94 -20.538 0.144 -0.134 1.00 0.53 O ATOM 0 H TYR A 94 -16.603 -2.451 4.950 1.00 0.39 H new ATOM 0 HA TYR A 94 -15.742 -2.867 2.147 1.00 0.37 H new ATOM 0 HB2 TYR A 94 -15.983 -0.425 3.922 1.00 0.38 H new ATOM 0 HB3 TYR A 94 -15.026 -0.424 2.454 1.00 0.38 H new ATOM 0 HD1 TYR A 94 -18.495 -1.259 3.632 1.00 0.44 H new ATOM 0 HD2 TYR A 94 -16.064 0.138 0.424 1.00 0.42 H new ATOM 0 HE1 TYR A 94 -20.509 -0.824 2.299 1.00 0.47 H new ATOM 0 HE2 TYR A 94 -18.083 0.586 -0.904 1.00 0.46 H new ATOM 0 HH TYR A 94 -20.277 0.358 -1.054 1.00 0.53 H new ATOM 1198 N VAL A 95 -13.254 -2.639 2.645 1.00 0.34 N ATOM 1199 CA VAL A 95 -11.861 -2.884 2.978 1.00 0.33 C ATOM 1200 C VAL A 95 -10.925 -1.887 2.300 1.00 0.31 C ATOM 1201 O VAL A 95 -11.016 -1.627 1.096 1.00 0.31 O ATOM 1202 CB VAL A 95 -11.444 -4.332 2.615 1.00 0.36 C ATOM 1203 CG1 VAL A 95 -11.688 -4.623 1.141 1.00 0.38 C ATOM 1204 CG2 VAL A 95 -9.987 -4.590 2.979 1.00 0.38 C ATOM 0 H VAL A 95 -13.434 -2.485 1.653 1.00 0.34 H new ATOM 0 HA VAL A 95 -11.770 -2.750 4.056 1.00 0.33 H new ATOM 0 HB VAL A 95 -12.066 -5.009 3.200 1.00 0.36 H new ATOM 0 HG11 VAL A 95 -11.386 -5.646 0.917 1.00 0.38 H new ATOM 0 HG12 VAL A 95 -12.748 -4.500 0.916 1.00 0.38 H new ATOM 0 HG13 VAL A 95 -11.106 -3.931 0.532 1.00 0.38 H new ATOM 0 HG21 VAL A 95 -9.721 -5.613 2.714 1.00 0.38 H new ATOM 0 HG22 VAL A 95 -9.347 -3.896 2.434 1.00 0.38 H new ATOM 0 HG23 VAL A 95 -9.849 -4.446 4.050 1.00 0.38 H new ATOM 1214 N LEU A 96 -10.045 -1.319 3.100 1.00 0.31 N ATOM 1215 CA LEU A 96 -9.055 -0.376 2.626 1.00 0.30 C ATOM 1216 C LEU A 96 -7.708 -1.081 2.588 1.00 0.30 C ATOM 1217 O LEU A 96 -7.042 -1.231 3.615 1.00 0.38 O ATOM 1218 CB LEU A 96 -9.008 0.847 3.549 1.00 0.34 C ATOM 1219 CG LEU A 96 -8.041 1.955 3.125 1.00 0.37 C ATOM 1220 CD1 LEU A 96 -8.547 2.668 1.881 1.00 0.43 C ATOM 1221 CD2 LEU A 96 -7.838 2.946 4.259 1.00 0.44 C ATOM 0 H LEU A 96 -9.997 -1.500 4.103 1.00 0.31 H new ATOM 0 HA LEU A 96 -9.312 -0.025 1.626 1.00 0.30 H new ATOM 0 HB2 LEU A 96 -10.011 1.269 3.615 1.00 0.34 H new ATOM 0 HB3 LEU A 96 -8.735 0.514 4.551 1.00 0.34 H new ATOM 0 HG LEU A 96 -7.081 1.496 2.888 1.00 0.37 H new ATOM 0 HD11 LEU A 96 -7.843 3.451 1.599 1.00 0.43 H new ATOM 0 HD12 LEU A 96 -8.640 1.952 1.064 1.00 0.43 H new ATOM 0 HD13 LEU A 96 -9.521 3.112 2.087 1.00 0.43 H new ATOM 0 HD21 LEU A 96 -7.148 3.727 3.940 1.00 0.44 H new ATOM 0 HD22 LEU A 96 -8.795 3.394 4.526 1.00 0.44 H new ATOM 0 HD23 LEU A 96 -7.426 2.428 5.125 1.00 0.44 H new ATOM 1233 N LYS A 97 -7.326 -1.539 1.412 1.00 0.29 N ATOM 1234 CA LYS A 97 -6.074 -2.259 1.261 1.00 0.33 C ATOM 1235 C LYS A 97 -5.107 -1.495 0.373 1.00 0.26 C ATOM 1236 O LYS A 97 -5.462 -1.056 -0.721 1.00 0.32 O ATOM 1237 CB LYS A 97 -6.322 -3.658 0.681 1.00 0.45 C ATOM 1238 CG LYS A 97 -5.043 -4.453 0.447 1.00 0.51 C ATOM 1239 CD LYS A 97 -5.268 -5.605 -0.514 1.00 0.74 C ATOM 1240 CE LYS A 97 -3.956 -6.281 -0.881 1.00 0.80 C ATOM 1241 NZ LYS A 97 -3.084 -5.399 -1.706 1.00 0.89 N ATOM 0 H LYS A 97 -7.860 -1.427 0.550 1.00 0.29 H new ATOM 0 HA LYS A 97 -5.628 -2.359 2.250 1.00 0.33 H new ATOM 0 HB2 LYS A 97 -6.968 -4.215 1.360 1.00 0.45 H new ATOM 0 HB3 LYS A 97 -6.859 -3.562 -0.263 1.00 0.45 H new ATOM 0 HG2 LYS A 97 -4.272 -3.793 0.050 1.00 0.51 H new ATOM 0 HG3 LYS A 97 -4.675 -4.838 1.398 1.00 0.51 H new ATOM 0 HD2 LYS A 97 -5.941 -6.333 -0.061 1.00 0.74 H new ATOM 0 HD3 LYS A 97 -5.756 -5.238 -1.417 1.00 0.74 H new ATOM 0 HE2 LYS A 97 -3.427 -6.564 0.029 1.00 0.80 H new ATOM 0 HE3 LYS A 97 -4.163 -7.200 -1.429 1.00 0.80 H new ATOM 0 HZ1 LYS A 97 -2.223 -5.916 -1.976 1.00 0.89 H new ATOM 0 HZ2 LYS A 97 -3.596 -5.108 -2.563 1.00 0.89 H new ATOM 0 HZ3 LYS A 97 -2.823 -4.556 -1.156 1.00 0.89 H new ATOM 1255 N PHE A 98 -3.884 -1.343 0.856 1.00 0.29 N ATOM 1256 CA PHE A 98 -2.845 -0.650 0.112 1.00 0.30 C ATOM 1257 C PHE A 98 -2.221 -1.616 -0.888 1.00 0.33 C ATOM 1258 O PHE A 98 -2.459 -2.830 -0.823 1.00 0.45 O ATOM 1259 CB PHE A 98 -1.767 -0.113 1.066 1.00 0.39 C ATOM 1260 CG PHE A 98 -2.268 0.894 2.071 1.00 0.44 C ATOM 1261 CD1 PHE A 98 -3.116 0.510 3.102 1.00 0.61 C ATOM 1262 CD2 PHE A 98 -1.875 2.222 1.997 1.00 0.57 C ATOM 1263 CE1 PHE A 98 -3.560 1.428 4.033 1.00 0.76 C ATOM 1264 CE2 PHE A 98 -2.318 3.145 2.926 1.00 0.72 C ATOM 1265 CZ PHE A 98 -3.161 2.748 3.946 1.00 0.77 C ATOM 0 H PHE A 98 -3.586 -1.693 1.766 1.00 0.29 H new ATOM 0 HA PHE A 98 -3.285 0.195 -0.417 1.00 0.30 H new ATOM 0 HB2 PHE A 98 -1.323 -0.952 1.602 1.00 0.39 H new ATOM 0 HB3 PHE A 98 -0.973 0.345 0.476 1.00 0.39 H new ATOM 0 HD1 PHE A 98 -3.432 -0.520 3.176 1.00 0.61 H new ATOM 0 HD2 PHE A 98 -1.214 2.539 1.204 1.00 0.57 H new ATOM 0 HE1 PHE A 98 -4.219 1.114 4.829 1.00 0.76 H new ATOM 0 HE2 PHE A 98 -2.005 4.176 2.854 1.00 0.72 H new ATOM 0 HZ PHE A 98 -3.507 3.467 4.673 1.00 0.77 H new ATOM 1275 N LYS A 99 -1.434 -1.095 -1.812 1.00 0.40 N ATOM 1276 CA LYS A 99 -0.791 -1.936 -2.807 1.00 0.48 C ATOM 1277 C LYS A 99 0.655 -2.200 -2.417 1.00 0.54 C ATOM 1278 O LYS A 99 1.223 -3.233 -2.768 1.00 0.82 O ATOM 1279 CB LYS A 99 -0.900 -1.307 -4.197 1.00 0.54 C ATOM 1280 CG LYS A 99 -2.174 -1.723 -4.921 1.00 0.70 C ATOM 1281 CD LYS A 99 -2.637 -0.689 -5.934 1.00 0.73 C ATOM 1282 CE LYS A 99 -4.081 -0.943 -6.339 1.00 0.91 C ATOM 1283 NZ LYS A 99 -4.562 0.017 -7.365 1.00 1.11 N ATOM 0 H LYS A 99 -1.225 -0.100 -1.895 1.00 0.40 H new ATOM 0 HA LYS A 99 -1.305 -2.896 -2.845 1.00 0.48 H new ATOM 0 HB2 LYS A 99 -0.875 -0.221 -4.105 1.00 0.54 H new ATOM 0 HB3 LYS A 99 -0.035 -1.596 -4.793 1.00 0.54 H new ATOM 0 HG2 LYS A 99 -2.005 -2.673 -5.429 1.00 0.70 H new ATOM 0 HG3 LYS A 99 -2.965 -1.889 -4.190 1.00 0.70 H new ATOM 0 HD2 LYS A 99 -2.543 0.311 -5.510 1.00 0.73 H new ATOM 0 HD3 LYS A 99 -1.996 -0.723 -6.815 1.00 0.73 H new ATOM 0 HE2 LYS A 99 -4.173 -1.958 -6.725 1.00 0.91 H new ATOM 0 HE3 LYS A 99 -4.719 -0.878 -5.458 1.00 0.91 H new ATOM 0 HZ1 LYS A 99 -5.601 0.060 -7.341 1.00 1.11 H new ATOM 0 HZ2 LYS A 99 -4.172 0.961 -7.167 1.00 1.11 H new ATOM 0 HZ3 LYS A 99 -4.250 -0.296 -8.307 1.00 1.11 H new ATOM 1297 N ALA A 100 1.244 -1.271 -1.675 1.00 0.55 N ATOM 1298 CA ALA A 100 2.610 -1.422 -1.203 1.00 0.63 C ATOM 1299 C ALA A 100 2.621 -1.984 0.219 1.00 0.62 C ATOM 1300 O ALA A 100 2.615 -1.235 1.201 1.00 1.36 O ATOM 1301 CB ALA A 100 3.345 -0.093 -1.258 1.00 0.89 C ATOM 0 H ALA A 100 0.793 -0.402 -1.387 1.00 0.55 H new ATOM 0 HA ALA A 100 3.126 -2.124 -1.857 1.00 0.63 H new ATOM 0 HB1 ALA A 100 4.366 -0.227 -0.901 1.00 0.89 H new ATOM 0 HB2 ALA A 100 3.365 0.270 -2.286 1.00 0.89 H new ATOM 0 HB3 ALA A 100 2.832 0.633 -0.627 1.00 0.89 H new ATOM 1307 N GLY A 101 2.610 -3.304 0.326 1.00 0.78 N ATOM 1308 CA GLY A 101 2.622 -3.942 1.629 1.00 0.83 C ATOM 1309 C GLY A 101 1.435 -4.862 1.844 1.00 0.73 C ATOM 1310 O GLY A 101 0.697 -5.165 0.904 1.00 1.06 O ATOM 0 H GLY A 101 2.593 -3.947 -0.466 1.00 0.78 H new ATOM 0 HA2 GLY A 101 3.544 -4.513 1.740 1.00 0.83 H new ATOM 0 HA3 GLY A 101 2.627 -3.175 2.404 1.00 0.83 H new ATOM 1314 N SER A 102 1.250 -5.304 3.080 1.00 0.51 N ATOM 1315 CA SER A 102 0.153 -6.198 3.430 1.00 0.48 C ATOM 1316 C SER A 102 -0.801 -5.521 4.413 1.00 0.52 C ATOM 1317 O SER A 102 -1.367 -6.162 5.303 1.00 1.13 O ATOM 1318 CB SER A 102 0.713 -7.483 4.044 1.00 0.60 C ATOM 1319 OG SER A 102 1.774 -8.000 3.256 1.00 1.00 O ATOM 0 H SER A 102 1.852 -5.055 3.865 1.00 0.51 H new ATOM 0 HA SER A 102 -0.403 -6.442 2.525 1.00 0.48 H new ATOM 0 HB2 SER A 102 1.069 -7.283 5.054 1.00 0.60 H new ATOM 0 HB3 SER A 102 -0.080 -8.227 4.127 1.00 0.60 H new ATOM 0 HG SER A 102 2.118 -8.820 3.668 1.00 1.00 H new ATOM 1325 N LYS A 103 -0.976 -4.220 4.248 1.00 0.42 N ATOM 1326 CA LYS A 103 -1.853 -3.452 5.118 1.00 0.42 C ATOM 1327 C LYS A 103 -3.302 -3.538 4.638 1.00 0.39 C ATOM 1328 O LYS A 103 -3.631 -3.085 3.538 1.00 0.44 O ATOM 1329 CB LYS A 103 -1.391 -1.993 5.174 1.00 0.52 C ATOM 1330 CG LYS A 103 -1.586 -1.342 6.536 1.00 0.60 C ATOM 1331 CD LYS A 103 -1.052 0.081 6.556 1.00 0.79 C ATOM 1332 CE LYS A 103 -0.976 0.634 7.970 1.00 0.93 C ATOM 1333 NZ LYS A 103 0.131 0.018 8.748 1.00 1.17 N ATOM 0 H LYS A 103 -0.521 -3.672 3.518 1.00 0.42 H new ATOM 0 HA LYS A 103 -1.804 -3.874 6.122 1.00 0.42 H new ATOM 0 HB2 LYS A 103 -0.336 -1.945 4.906 1.00 0.52 H new ATOM 0 HB3 LYS A 103 -1.937 -1.419 4.425 1.00 0.52 H new ATOM 0 HG2 LYS A 103 -2.646 -1.337 6.790 1.00 0.60 H new ATOM 0 HG3 LYS A 103 -1.078 -1.933 7.299 1.00 0.60 H new ATOM 0 HD2 LYS A 103 -0.061 0.104 6.103 1.00 0.79 H new ATOM 0 HD3 LYS A 103 -1.695 0.719 5.950 1.00 0.79 H new ATOM 0 HE2 LYS A 103 -0.834 1.714 7.930 1.00 0.93 H new ATOM 0 HE3 LYS A 103 -1.922 0.455 8.481 1.00 0.93 H new ATOM 0 HZ1 LYS A 103 0.280 0.556 9.625 1.00 1.17 H new ATOM 0 HZ2 LYS A 103 -0.115 -0.965 8.983 1.00 1.17 H new ATOM 0 HZ3 LYS A 103 1.003 0.031 8.181 1.00 1.17 H new ATOM 1347 N ARG A 104 -4.160 -4.133 5.462 1.00 0.37 N ATOM 1348 CA ARG A 104 -5.572 -4.294 5.133 1.00 0.38 C ATOM 1349 C ARG A 104 -6.440 -3.823 6.293 1.00 0.37 C ATOM 1350 O ARG A 104 -6.367 -4.382 7.387 1.00 0.51 O ATOM 1351 CB ARG A 104 -5.892 -5.764 4.838 1.00 0.47 C ATOM 1352 CG ARG A 104 -4.975 -6.406 3.807 1.00 0.63 C ATOM 1353 CD ARG A 104 -4.473 -7.762 4.274 1.00 0.86 C ATOM 1354 NE ARG A 104 -3.606 -8.388 3.276 1.00 1.11 N ATOM 1355 CZ ARG A 104 -2.520 -9.108 3.567 1.00 1.40 C ATOM 1356 NH1 ARG A 104 -2.154 -9.300 4.833 1.00 1.85 N ATOM 1357 NH2 ARG A 104 -1.789 -9.624 2.585 1.00 1.70 N ATOM 0 H ARG A 104 -3.898 -4.515 6.371 1.00 0.37 H new ATOM 0 HA ARG A 104 -5.783 -3.693 4.248 1.00 0.38 H new ATOM 0 HB2 ARG A 104 -5.830 -6.331 5.767 1.00 0.47 H new ATOM 0 HB3 ARG A 104 -6.922 -5.837 4.488 1.00 0.47 H new ATOM 0 HG2 ARG A 104 -5.510 -6.520 2.864 1.00 0.63 H new ATOM 0 HG3 ARG A 104 -4.126 -5.749 3.615 1.00 0.63 H new ATOM 0 HD2 ARG A 104 -3.927 -7.646 5.210 1.00 0.86 H new ATOM 0 HD3 ARG A 104 -5.322 -8.414 4.479 1.00 0.86 H new ATOM 0 HE ARG A 104 -3.847 -8.266 2.292 1.00 1.11 H new ATOM 0 HH11 ARG A 104 -2.705 -8.896 5.590 1.00 1.85 H new ATOM 0 HH12 ARG A 104 -1.323 -9.852 5.046 1.00 1.85 H new ATOM 0 HH21 ARG A 104 -2.058 -9.469 1.613 1.00 1.70 H new ATOM 0 HH22 ARG A 104 -0.958 -10.175 2.803 1.00 1.70 H new ATOM 1371 N LEU A 105 -7.250 -2.803 6.058 1.00 0.33 N ATOM 1372 CA LEU A 105 -8.132 -2.279 7.092 1.00 0.34 C ATOM 1373 C LEU A 105 -9.589 -2.518 6.712 1.00 0.33 C ATOM 1374 O LEU A 105 -10.015 -2.170 5.614 1.00 0.39 O ATOM 1375 CB LEU A 105 -7.879 -0.782 7.301 1.00 0.37 C ATOM 1376 CG LEU A 105 -6.469 -0.415 7.774 1.00 0.50 C ATOM 1377 CD1 LEU A 105 -6.261 1.090 7.700 1.00 0.70 C ATOM 1378 CD2 LEU A 105 -6.229 -0.916 9.192 1.00 0.82 C ATOM 0 H LEU A 105 -7.316 -2.321 5.162 1.00 0.33 H new ATOM 0 HA LEU A 105 -7.922 -2.801 8.025 1.00 0.34 H new ATOM 0 HB2 LEU A 105 -8.076 -0.263 6.363 1.00 0.37 H new ATOM 0 HB3 LEU A 105 -8.598 -0.407 8.030 1.00 0.37 H new ATOM 0 HG LEU A 105 -5.749 -0.899 7.114 1.00 0.50 H new ATOM 0 HD11 LEU A 105 -5.255 1.335 8.039 1.00 0.70 H new ATOM 0 HD12 LEU A 105 -6.389 1.425 6.671 1.00 0.70 H new ATOM 0 HD13 LEU A 105 -6.991 1.590 8.337 1.00 0.70 H new ATOM 0 HD21 LEU A 105 -5.222 -0.645 9.508 1.00 0.82 H new ATOM 0 HD22 LEU A 105 -6.955 -0.462 9.866 1.00 0.82 H new ATOM 0 HD23 LEU A 105 -6.338 -2.000 9.218 1.00 0.82 H new ATOM 1390 N PHE A 106 -10.350 -3.121 7.611 1.00 0.34 N ATOM 1391 CA PHE A 106 -11.755 -3.408 7.349 1.00 0.34 C ATOM 1392 C PHE A 106 -12.662 -2.453 8.122 1.00 0.35 C ATOM 1393 O PHE A 106 -12.399 -2.137 9.284 1.00 0.37 O ATOM 1394 CB PHE A 106 -12.082 -4.856 7.722 1.00 0.38 C ATOM 1395 CG PHE A 106 -11.391 -5.880 6.868 1.00 0.40 C ATOM 1396 CD1 PHE A 106 -10.119 -6.325 7.192 1.00 0.46 C ATOM 1397 CD2 PHE A 106 -12.015 -6.404 5.748 1.00 0.44 C ATOM 1398 CE1 PHE A 106 -9.483 -7.272 6.414 1.00 0.52 C ATOM 1399 CE2 PHE A 106 -11.385 -7.350 4.966 1.00 0.50 C ATOM 1400 CZ PHE A 106 -10.116 -7.785 5.299 1.00 0.52 C ATOM 0 H PHE A 106 -10.021 -3.422 8.528 1.00 0.34 H new ATOM 0 HA PHE A 106 -11.934 -3.266 6.283 1.00 0.34 H new ATOM 0 HB2 PHE A 106 -11.808 -5.022 8.764 1.00 0.38 H new ATOM 0 HB3 PHE A 106 -13.159 -5.004 7.648 1.00 0.38 H new ATOM 0 HD1 PHE A 106 -9.620 -5.927 8.063 1.00 0.46 H new ATOM 0 HD2 PHE A 106 -13.007 -6.068 5.484 1.00 0.44 H new ATOM 0 HE1 PHE A 106 -8.492 -7.611 6.677 1.00 0.52 H new ATOM 0 HE2 PHE A 106 -11.883 -7.750 4.095 1.00 0.50 H new ATOM 0 HZ PHE A 106 -9.620 -8.525 4.688 1.00 0.52 H new ATOM 1410 N PHE A 107 -13.721 -1.991 7.464 1.00 0.35 N ATOM 1411 CA PHE A 107 -14.681 -1.075 8.072 1.00 0.37 C ATOM 1412 C PHE A 107 -16.099 -1.445 7.653 1.00 0.39 C ATOM 1413 O PHE A 107 -16.329 -1.848 6.516 1.00 0.48 O ATOM 1414 CB PHE A 107 -14.400 0.374 7.641 1.00 0.36 C ATOM 1415 CG PHE A 107 -13.027 0.876 7.998 1.00 0.35 C ATOM 1416 CD1 PHE A 107 -12.745 1.313 9.282 1.00 0.41 C ATOM 1417 CD2 PHE A 107 -12.018 0.914 7.047 1.00 0.38 C ATOM 1418 CE1 PHE A 107 -11.486 1.780 9.610 1.00 0.46 C ATOM 1419 CE2 PHE A 107 -10.758 1.381 7.369 1.00 0.43 C ATOM 1420 CZ PHE A 107 -10.490 1.814 8.652 1.00 0.46 C ATOM 0 H PHE A 107 -13.938 -2.239 6.499 1.00 0.35 H new ATOM 0 HA PHE A 107 -14.581 -1.155 9.154 1.00 0.37 H new ATOM 0 HB2 PHE A 107 -14.532 0.451 6.562 1.00 0.36 H new ATOM 0 HB3 PHE A 107 -15.142 1.027 8.100 1.00 0.36 H new ATOM 0 HD1 PHE A 107 -13.518 1.289 10.036 1.00 0.41 H new ATOM 0 HD2 PHE A 107 -12.220 0.574 6.042 1.00 0.38 H new ATOM 0 HE1 PHE A 107 -11.280 2.118 10.615 1.00 0.46 H new ATOM 0 HE2 PHE A 107 -9.983 1.407 6.617 1.00 0.43 H new ATOM 0 HZ PHE A 107 -9.506 2.178 8.906 1.00 0.46 H new ATOM 1430 N TRP A 108 -17.050 -1.320 8.568 1.00 0.41 N ATOM 1431 CA TRP A 108 -18.438 -1.626 8.250 1.00 0.43 C ATOM 1432 C TRP A 108 -19.299 -0.378 8.417 1.00 0.45 C ATOM 1433 O TRP A 108 -19.235 0.298 9.443 1.00 0.45 O ATOM 1434 CB TRP A 108 -18.972 -2.800 9.091 1.00 0.45 C ATOM 1435 CG TRP A 108 -18.977 -2.587 10.580 1.00 0.48 C ATOM 1436 CD1 TRP A 108 -17.914 -2.688 11.429 1.00 0.51 C ATOM 1437 CD2 TRP A 108 -20.114 -2.277 11.395 1.00 0.55 C ATOM 1438 NE1 TRP A 108 -18.318 -2.445 12.721 1.00 0.58 N ATOM 1439 CE2 TRP A 108 -19.664 -2.192 12.726 1.00 0.60 C ATOM 1440 CE3 TRP A 108 -21.468 -2.057 11.127 1.00 0.61 C ATOM 1441 CZ2 TRP A 108 -20.518 -1.895 13.784 1.00 0.70 C ATOM 1442 CZ3 TRP A 108 -22.315 -1.763 12.179 1.00 0.70 C ATOM 1443 CH2 TRP A 108 -21.838 -1.685 13.495 1.00 0.74 C ATOM 0 H TRP A 108 -16.889 -1.012 9.527 1.00 0.41 H new ATOM 0 HA TRP A 108 -18.488 -1.943 7.208 1.00 0.43 H new ATOM 0 HB2 TRP A 108 -19.991 -3.019 8.770 1.00 0.45 H new ATOM 0 HB3 TRP A 108 -18.372 -3.683 8.871 1.00 0.45 H new ATOM 0 HD1 TRP A 108 -16.903 -2.924 11.130 1.00 0.51 H new ATOM 0 HE1 TRP A 108 -17.713 -2.452 13.542 1.00 0.58 H new ATOM 0 HE3 TRP A 108 -21.845 -2.116 10.117 1.00 0.61 H new ATOM 0 HZ2 TRP A 108 -20.151 -1.833 14.798 1.00 0.70 H new ATOM 0 HZ3 TRP A 108 -23.363 -1.590 11.984 1.00 0.70 H new ATOM 0 HH2 TRP A 108 -22.526 -1.455 14.295 1.00 0.74 H new ATOM 1454 N MET A 109 -20.083 -0.072 7.388 1.00 0.46 N ATOM 1455 CA MET A 109 -20.944 1.112 7.385 1.00 0.48 C ATOM 1456 C MET A 109 -21.970 1.076 8.512 1.00 0.50 C ATOM 1457 O MET A 109 -22.668 0.075 8.704 1.00 0.51 O ATOM 1458 CB MET A 109 -21.673 1.241 6.044 1.00 0.50 C ATOM 1459 CG MET A 109 -20.750 1.459 4.853 1.00 0.50 C ATOM 1460 SD MET A 109 -19.967 3.089 4.858 1.00 0.58 S ATOM 1461 CE MET A 109 -18.869 2.935 3.450 1.00 0.60 C ATOM 0 H MET A 109 -20.142 -0.631 6.537 1.00 0.46 H new ATOM 0 HA MET A 109 -20.297 1.975 7.540 1.00 0.48 H new ATOM 0 HB2 MET A 109 -22.261 0.339 5.874 1.00 0.50 H new ATOM 0 HB3 MET A 109 -22.375 2.073 6.103 1.00 0.50 H new ATOM 0 HG2 MET A 109 -19.977 0.690 4.853 1.00 0.50 H new ATOM 0 HG3 MET A 109 -21.320 1.338 3.932 1.00 0.50 H new ATOM 0 HE1 MET A 109 -18.312 3.863 3.320 1.00 0.60 H new ATOM 0 HE2 MET A 109 -18.172 2.114 3.620 1.00 0.60 H new ATOM 0 HE3 MET A 109 -19.454 2.734 2.553 1.00 0.60 H new ATOM 1471 N GLN A 110 -22.064 2.178 9.249 1.00 0.51 N ATOM 1472 CA GLN A 110 -23.009 2.291 10.351 1.00 0.53 C ATOM 1473 C GLN A 110 -24.158 3.218 9.969 1.00 0.56 C ATOM 1474 O GLN A 110 -25.018 3.527 10.795 1.00 0.61 O ATOM 1475 CB GLN A 110 -22.313 2.812 11.613 1.00 0.53 C ATOM 1476 CG GLN A 110 -21.295 1.845 12.195 1.00 0.51 C ATOM 1477 CD GLN A 110 -20.633 2.366 13.460 1.00 0.52 C ATOM 1478 OE1 GLN A 110 -20.491 3.571 13.658 1.00 0.55 O ATOM 1479 NE2 GLN A 110 -20.219 1.452 14.325 1.00 0.53 N ATOM 0 H GLN A 110 -21.493 3.010 9.100 1.00 0.51 H new ATOM 0 HA GLN A 110 -23.408 1.298 10.561 1.00 0.53 H new ATOM 0 HB2 GLN A 110 -21.815 3.753 11.380 1.00 0.53 H new ATOM 0 HB3 GLN A 110 -23.067 3.030 12.369 1.00 0.53 H new ATOM 0 HG2 GLN A 110 -21.787 0.897 12.413 1.00 0.51 H new ATOM 0 HG3 GLN A 110 -20.528 1.641 11.448 1.00 0.51 H new ATOM 0 HE21 GLN A 110 -20.355 0.461 14.124 1.00 0.53 H new ATOM 0 HE22 GLN A 110 -19.764 1.739 15.192 1.00 0.53 H new ATOM 1488 N GLU A 111 -24.159 3.661 8.718 1.00 0.57 N ATOM 1489 CA GLU A 111 -25.204 4.548 8.221 1.00 0.60 C ATOM 1490 C GLU A 111 -26.548 3.817 8.190 1.00 0.63 C ATOM 1491 O GLU A 111 -26.600 2.631 7.856 1.00 0.64 O ATOM 1492 CB GLU A 111 -24.852 5.054 6.820 1.00 0.61 C ATOM 1493 CG GLU A 111 -23.605 5.918 6.784 1.00 0.62 C ATOM 1494 CD GLU A 111 -23.780 7.228 7.524 1.00 0.65 C ATOM 1495 OE1 GLU A 111 -24.679 8.014 7.153 1.00 0.73 O ATOM 1496 OE2 GLU A 111 -23.019 7.482 8.477 1.00 0.67 O ATOM 0 H GLU A 111 -23.447 3.420 8.028 1.00 0.57 H new ATOM 0 HA GLU A 111 -25.281 5.402 8.894 1.00 0.60 H new ATOM 0 HB2 GLU A 111 -24.711 4.199 6.158 1.00 0.61 H new ATOM 0 HB3 GLU A 111 -25.692 5.626 6.427 1.00 0.61 H new ATOM 0 HG2 GLU A 111 -22.773 5.366 7.222 1.00 0.62 H new ATOM 0 HG3 GLU A 111 -23.340 6.124 5.747 1.00 0.62 H new ATOM 1503 N PRO A 112 -27.647 4.511 8.538 1.00 0.67 N ATOM 1504 CA PRO A 112 -28.995 3.918 8.563 1.00 0.71 C ATOM 1505 C PRO A 112 -29.429 3.322 7.221 1.00 0.71 C ATOM 1506 O PRO A 112 -30.054 2.262 7.181 1.00 0.79 O ATOM 1507 CB PRO A 112 -29.901 5.096 8.933 1.00 0.77 C ATOM 1508 CG PRO A 112 -29.009 6.077 9.605 1.00 0.82 C ATOM 1509 CD PRO A 112 -27.667 5.927 8.952 1.00 0.71 C ATOM 0 HA PRO A 112 -29.038 3.081 9.260 1.00 0.71 H new ATOM 0 HB2 PRO A 112 -30.366 5.529 8.047 1.00 0.77 H new ATOM 0 HB3 PRO A 112 -30.708 4.780 9.594 1.00 0.77 H new ATOM 0 HG2 PRO A 112 -29.388 7.092 9.490 1.00 0.82 H new ATOM 0 HG3 PRO A 112 -28.947 5.879 10.675 1.00 0.82 H new ATOM 0 HD2 PRO A 112 -27.558 6.597 8.099 1.00 0.71 H new ATOM 0 HD3 PRO A 112 -26.856 6.156 9.643 1.00 0.71 H new ATOM 1517 N LYS A 113 -29.102 4.000 6.127 1.00 0.72 N ATOM 1518 CA LYS A 113 -29.473 3.520 4.801 1.00 0.75 C ATOM 1519 C LYS A 113 -28.251 3.086 4.000 1.00 0.69 C ATOM 1520 O LYS A 113 -27.172 3.661 4.130 1.00 0.70 O ATOM 1521 CB LYS A 113 -30.239 4.595 4.027 1.00 0.86 C ATOM 1522 CG LYS A 113 -31.751 4.505 4.185 1.00 0.99 C ATOM 1523 CD LYS A 113 -32.224 5.137 5.483 1.00 1.05 C ATOM 1524 CE LYS A 113 -33.711 4.900 5.695 1.00 1.11 C ATOM 1525 NZ LYS A 113 -34.255 5.683 6.835 1.00 1.51 N ATOM 0 H LYS A 113 -28.584 4.879 6.131 1.00 0.72 H new ATOM 0 HA LYS A 113 -30.118 2.653 4.943 1.00 0.75 H new ATOM 0 HB2 LYS A 113 -29.906 5.577 4.361 1.00 0.86 H new ATOM 0 HB3 LYS A 113 -29.988 4.516 2.969 1.00 0.86 H new ATOM 0 HG2 LYS A 113 -32.234 5.001 3.343 1.00 0.99 H new ATOM 0 HG3 LYS A 113 -32.057 3.459 4.158 1.00 0.99 H new ATOM 0 HD2 LYS A 113 -31.663 4.721 6.320 1.00 1.05 H new ATOM 0 HD3 LYS A 113 -32.022 6.208 5.465 1.00 1.05 H new ATOM 0 HE2 LYS A 113 -34.251 5.165 4.786 1.00 1.11 H new ATOM 0 HE3 LYS A 113 -33.885 3.839 5.871 1.00 1.11 H new ATOM 0 HZ1 LYS A 113 -35.271 5.486 6.938 1.00 1.51 H new ATOM 0 HZ2 LYS A 113 -33.760 5.413 7.709 1.00 1.51 H new ATOM 0 HZ3 LYS A 113 -34.115 6.698 6.657 1.00 1.51 H new ATOM 1539 N THR A 114 -28.446 2.073 3.166 1.00 0.69 N ATOM 1540 CA THR A 114 -27.393 1.529 2.319 1.00 0.66 C ATOM 1541 C THR A 114 -27.297 2.302 0.999 1.00 0.67 C ATOM 1542 O THR A 114 -26.496 1.971 0.122 1.00 0.69 O ATOM 1543 CB THR A 114 -27.690 0.047 2.015 1.00 0.70 C ATOM 1544 OG1 THR A 114 -28.586 -0.475 3.011 1.00 0.90 O ATOM 1545 CG2 THR A 114 -26.418 -0.783 1.989 1.00 0.86 C ATOM 0 H THR A 114 -29.345 1.603 3.058 1.00 0.69 H new ATOM 0 HA THR A 114 -26.445 1.622 2.849 1.00 0.66 H new ATOM 0 HB THR A 114 -28.150 -0.012 1.028 1.00 0.70 H new ATOM 0 HG1 THR A 114 -28.777 -1.417 2.818 1.00 0.90 H new ATOM 0 HG21 THR A 114 -26.666 -1.822 1.772 1.00 0.86 H new ATOM 0 HG22 THR A 114 -25.750 -0.401 1.217 1.00 0.86 H new ATOM 0 HG23 THR A 114 -25.924 -0.723 2.959 1.00 0.86 H new ATOM 1553 N ASP A 115 -28.110 3.343 0.880 1.00 0.69 N ATOM 1554 CA ASP A 115 -28.167 4.160 -0.329 1.00 0.72 C ATOM 1555 C ASP A 115 -26.871 4.913 -0.596 1.00 0.68 C ATOM 1556 O ASP A 115 -26.487 5.113 -1.749 1.00 0.72 O ATOM 1557 CB ASP A 115 -29.314 5.166 -0.229 1.00 0.79 C ATOM 1558 CG ASP A 115 -30.637 4.585 -0.675 1.00 0.94 C ATOM 1559 OD1 ASP A 115 -31.126 3.641 -0.028 1.00 1.14 O ATOM 1560 OD2 ASP A 115 -31.200 5.075 -1.680 1.00 1.19 O ATOM 0 H ASP A 115 -28.748 3.646 1.616 1.00 0.69 H new ATOM 0 HA ASP A 115 -28.329 3.474 -1.160 1.00 0.72 H new ATOM 0 HB2 ASP A 115 -29.401 5.511 0.801 1.00 0.79 H new ATOM 0 HB3 ASP A 115 -29.081 6.039 -0.838 1.00 0.79 H new ATOM 1565 N GLN A 116 -26.191 5.324 0.463 1.00 0.66 N ATOM 1566 CA GLN A 116 -24.958 6.084 0.311 1.00 0.64 C ATOM 1567 C GLN A 116 -23.720 5.230 0.554 1.00 0.60 C ATOM 1568 O GLN A 116 -22.618 5.758 0.686 1.00 0.59 O ATOM 1569 CB GLN A 116 -24.948 7.272 1.275 1.00 0.70 C ATOM 1570 CG GLN A 116 -26.001 8.325 0.971 1.00 0.77 C ATOM 1571 CD GLN A 116 -25.852 8.923 -0.413 1.00 0.83 C ATOM 1572 OE1 GLN A 116 -26.450 8.447 -1.376 1.00 0.90 O ATOM 1573 NE2 GLN A 116 -25.053 9.972 -0.517 1.00 0.92 N ATOM 0 H GLN A 116 -26.468 5.147 1.429 1.00 0.66 H new ATOM 0 HA GLN A 116 -24.926 6.437 -0.720 1.00 0.64 H new ATOM 0 HB2 GLN A 116 -25.099 6.904 2.290 1.00 0.70 H new ATOM 0 HB3 GLN A 116 -23.964 7.739 1.249 1.00 0.70 H new ATOM 0 HG2 GLN A 116 -26.991 7.879 1.064 1.00 0.77 H new ATOM 0 HG3 GLN A 116 -25.938 9.120 1.714 1.00 0.77 H new ATOM 0 HE21 GLN A 116 -24.576 10.334 0.309 1.00 0.92 H new ATOM 0 HE22 GLN A 116 -24.913 10.419 -1.423 1.00 0.92 H new ATOM 1582 N ASP A 117 -23.896 3.919 0.596 1.00 0.59 N ATOM 1583 CA ASP A 117 -22.786 3.001 0.840 1.00 0.58 C ATOM 1584 C ASP A 117 -21.716 3.112 -0.244 1.00 0.55 C ATOM 1585 O ASP A 117 -20.587 3.535 0.027 1.00 0.53 O ATOM 1586 CB ASP A 117 -23.290 1.561 0.929 1.00 0.60 C ATOM 1587 CG ASP A 117 -23.527 1.110 2.358 1.00 0.62 C ATOM 1588 OD1 ASP A 117 -23.722 1.977 3.233 1.00 0.67 O ATOM 1589 OD2 ASP A 117 -23.540 -0.119 2.605 1.00 0.64 O ATOM 0 H ASP A 117 -24.798 3.462 0.464 1.00 0.59 H new ATOM 0 HA ASP A 117 -22.334 3.281 1.791 1.00 0.58 H new ATOM 0 HB2 ASP A 117 -24.218 1.470 0.365 1.00 0.60 H new ATOM 0 HB3 ASP A 117 -22.565 0.897 0.458 1.00 0.60 H new ATOM 1594 N GLU A 118 -22.081 2.766 -1.477 1.00 0.56 N ATOM 1595 CA GLU A 118 -21.145 2.823 -2.594 1.00 0.56 C ATOM 1596 C GLU A 118 -20.706 4.255 -2.865 1.00 0.55 C ATOM 1597 O GLU A 118 -19.563 4.501 -3.254 1.00 0.55 O ATOM 1598 CB GLU A 118 -21.771 2.211 -3.847 1.00 0.59 C ATOM 1599 CG GLU A 118 -21.883 0.695 -3.791 1.00 0.62 C ATOM 1600 CD GLU A 118 -20.535 0.004 -3.724 1.00 0.64 C ATOM 1601 OE1 GLU A 118 -19.872 0.070 -2.668 1.00 0.70 O ATOM 1602 OE2 GLU A 118 -20.127 -0.607 -4.734 1.00 0.85 O ATOM 0 H GLU A 118 -23.016 2.444 -1.726 1.00 0.56 H new ATOM 0 HA GLU A 118 -20.262 2.243 -2.326 1.00 0.56 H new ATOM 0 HB2 GLU A 118 -22.764 2.636 -3.992 1.00 0.59 H new ATOM 0 HB3 GLU A 118 -21.175 2.492 -4.715 1.00 0.59 H new ATOM 0 HG2 GLU A 118 -22.474 0.412 -2.920 1.00 0.62 H new ATOM 0 HG3 GLU A 118 -22.422 0.343 -4.670 1.00 0.62 H new ATOM 1609 N GLU A 119 -21.614 5.201 -2.644 1.00 0.57 N ATOM 1610 CA GLU A 119 -21.307 6.611 -2.850 1.00 0.59 C ATOM 1611 C GLU A 119 -20.174 7.038 -1.915 1.00 0.56 C ATOM 1612 O GLU A 119 -19.253 7.750 -2.319 1.00 0.57 O ATOM 1613 CB GLU A 119 -22.550 7.474 -2.614 1.00 0.64 C ATOM 1614 CG GLU A 119 -22.304 8.966 -2.798 1.00 0.71 C ATOM 1615 CD GLU A 119 -22.130 9.363 -4.253 1.00 0.84 C ATOM 1616 OE1 GLU A 119 -21.198 8.856 -4.911 1.00 1.12 O ATOM 1617 OE2 GLU A 119 -22.921 10.194 -4.752 1.00 1.25 O ATOM 0 H GLU A 119 -22.565 5.017 -2.323 1.00 0.57 H new ATOM 0 HA GLU A 119 -20.986 6.753 -3.882 1.00 0.59 H new ATOM 0 HB2 GLU A 119 -23.337 7.157 -3.299 1.00 0.64 H new ATOM 0 HB3 GLU A 119 -22.917 7.297 -1.603 1.00 0.64 H new ATOM 0 HG2 GLU A 119 -23.140 9.522 -2.373 1.00 0.71 H new ATOM 0 HG3 GLU A 119 -21.413 9.253 -2.240 1.00 0.71 H new ATOM 1624 N HIS A 120 -20.233 6.575 -0.671 1.00 0.55 N ATOM 1625 CA HIS A 120 -19.205 6.899 0.314 1.00 0.54 C ATOM 1626 C HIS A 120 -17.863 6.329 -0.119 1.00 0.51 C ATOM 1627 O HIS A 120 -16.833 6.987 -0.008 1.00 0.52 O ATOM 1628 CB HIS A 120 -19.571 6.343 1.695 1.00 0.55 C ATOM 1629 CG HIS A 120 -20.533 7.195 2.462 1.00 0.59 C ATOM 1630 ND1 HIS A 120 -21.579 6.676 3.198 1.00 0.64 N ATOM 1631 CD2 HIS A 120 -20.604 8.540 2.611 1.00 0.71 C ATOM 1632 CE1 HIS A 120 -22.250 7.663 3.761 1.00 0.68 C ATOM 1633 NE2 HIS A 120 -21.680 8.799 3.421 1.00 0.74 N ATOM 0 H HIS A 120 -20.980 5.975 -0.320 1.00 0.55 H new ATOM 0 HA HIS A 120 -19.137 7.985 0.380 1.00 0.54 H new ATOM 0 HB2 HIS A 120 -20.001 5.349 1.572 1.00 0.55 H new ATOM 0 HB3 HIS A 120 -18.659 6.226 2.281 1.00 0.55 H new ATOM 0 HD2 HIS A 120 -19.939 9.270 2.174 1.00 0.71 H new ATOM 0 HE1 HIS A 120 -23.119 7.556 4.393 1.00 0.68 H new ATOM 0 HE2 HIS A 120 -21.989 9.726 3.714 1.00 0.74 H new ATOM 1642 N CYS A 121 -17.895 5.104 -0.627 1.00 0.49 N ATOM 1643 CA CYS A 121 -16.690 4.420 -1.081 1.00 0.48 C ATOM 1644 C CYS A 121 -16.028 5.184 -2.226 1.00 0.48 C ATOM 1645 O CYS A 121 -14.802 5.319 -2.269 1.00 0.47 O ATOM 1646 CB CYS A 121 -17.033 2.998 -1.523 1.00 0.49 C ATOM 1647 SG CYS A 121 -15.593 1.971 -1.883 1.00 0.48 S ATOM 0 H CYS A 121 -18.750 4.559 -0.736 1.00 0.49 H new ATOM 0 HA CYS A 121 -15.985 4.376 -0.251 1.00 0.48 H new ATOM 0 HB2 CYS A 121 -17.622 2.518 -0.741 1.00 0.49 H new ATOM 0 HB3 CYS A 121 -17.662 3.047 -2.412 1.00 0.49 H new ATOM 0 HG CYS A 121 -14.678 2.175 -0.982 1.00 0.48 H new ATOM 1653 N ARG A 122 -16.845 5.687 -3.144 1.00 0.51 N ATOM 1654 CA ARG A 122 -16.337 6.438 -4.286 1.00 0.54 C ATOM 1655 C ARG A 122 -15.731 7.757 -3.829 1.00 0.53 C ATOM 1656 O ARG A 122 -14.691 8.177 -4.336 1.00 0.54 O ATOM 1657 CB ARG A 122 -17.447 6.689 -5.306 1.00 0.59 C ATOM 1658 CG ARG A 122 -17.957 5.419 -5.972 1.00 0.85 C ATOM 1659 CD ARG A 122 -18.899 5.727 -7.123 1.00 0.89 C ATOM 1660 NE ARG A 122 -20.045 6.525 -6.691 1.00 1.09 N ATOM 1661 CZ ARG A 122 -21.278 6.358 -7.160 1.00 0.97 C ATOM 1662 NH1 ARG A 122 -21.533 5.424 -8.074 1.00 1.44 N ATOM 1663 NH2 ARG A 122 -22.253 7.133 -6.714 1.00 1.52 N ATOM 0 H ARG A 122 -17.860 5.589 -3.120 1.00 0.51 H new ATOM 0 HA ARG A 122 -15.558 5.844 -4.765 1.00 0.54 H new ATOM 0 HB2 ARG A 122 -18.279 7.189 -4.810 1.00 0.59 H new ATOM 0 HB3 ARG A 122 -17.078 7.369 -6.073 1.00 0.59 H new ATOM 0 HG2 ARG A 122 -17.112 4.836 -6.339 1.00 0.85 H new ATOM 0 HG3 ARG A 122 -18.472 4.803 -5.235 1.00 0.85 H new ATOM 0 HD2 ARG A 122 -18.357 6.263 -7.902 1.00 0.89 H new ATOM 0 HD3 ARG A 122 -19.251 4.794 -7.563 1.00 0.89 H new ATOM 0 HE ARG A 122 -19.890 7.250 -5.991 1.00 1.09 H new ATOM 0 HH11 ARG A 122 -20.780 4.830 -8.420 1.00 1.44 H new ATOM 0 HH12 ARG A 122 -22.482 5.303 -8.428 1.00 1.44 H new ATOM 0 HH21 ARG A 122 -22.056 7.851 -6.017 1.00 1.52 H new ATOM 0 HH22 ARG A 122 -23.202 7.013 -7.068 1.00 1.52 H new ATOM 1677 N LYS A 123 -16.386 8.400 -2.865 1.00 0.53 N ATOM 1678 CA LYS A 123 -15.896 9.660 -2.323 1.00 0.53 C ATOM 1679 C LYS A 123 -14.512 9.446 -1.727 1.00 0.51 C ATOM 1680 O LYS A 123 -13.608 10.260 -1.909 1.00 0.53 O ATOM 1681 CB LYS A 123 -16.844 10.203 -1.250 1.00 0.56 C ATOM 1682 CG LYS A 123 -18.135 10.793 -1.795 1.00 0.63 C ATOM 1683 CD LYS A 123 -19.067 11.209 -0.666 1.00 0.73 C ATOM 1684 CE LYS A 123 -20.340 11.866 -1.186 1.00 0.85 C ATOM 1685 NZ LYS A 123 -20.086 13.215 -1.762 1.00 1.12 N ATOM 0 H LYS A 123 -17.255 8.069 -2.446 1.00 0.53 H new ATOM 0 HA LYS A 123 -15.844 10.390 -3.131 1.00 0.53 H new ATOM 0 HB2 LYS A 123 -17.090 9.397 -0.558 1.00 0.56 H new ATOM 0 HB3 LYS A 123 -16.323 10.969 -0.675 1.00 0.56 H new ATOM 0 HG2 LYS A 123 -17.908 11.657 -2.420 1.00 0.63 H new ATOM 0 HG3 LYS A 123 -18.633 10.061 -2.431 1.00 0.63 H new ATOM 0 HD2 LYS A 123 -19.328 10.334 -0.071 1.00 0.73 H new ATOM 0 HD3 LYS A 123 -18.547 11.901 -0.004 1.00 0.73 H new ATOM 0 HE2 LYS A 123 -20.791 11.228 -1.946 1.00 0.85 H new ATOM 0 HE3 LYS A 123 -21.061 11.951 -0.373 1.00 0.85 H new ATOM 0 HZ1 LYS A 123 -20.990 13.656 -2.024 1.00 1.12 H new ATOM 0 HZ2 LYS A 123 -19.603 13.808 -1.057 1.00 1.12 H new ATOM 0 HZ3 LYS A 123 -19.487 13.124 -2.607 1.00 1.12 H new ATOM 1699 N VAL A 124 -14.356 8.328 -1.024 1.00 0.48 N ATOM 1700 CA VAL A 124 -13.086 7.977 -0.410 1.00 0.46 C ATOM 1701 C VAL A 124 -12.017 7.783 -1.482 1.00 0.45 C ATOM 1702 O VAL A 124 -10.979 8.436 -1.452 1.00 0.45 O ATOM 1703 CB VAL A 124 -13.198 6.687 0.435 1.00 0.45 C ATOM 1704 CG1 VAL A 124 -11.836 6.254 0.955 1.00 0.43 C ATOM 1705 CG2 VAL A 124 -14.162 6.876 1.594 1.00 0.50 C ATOM 0 H VAL A 124 -15.100 7.648 -0.867 1.00 0.48 H new ATOM 0 HA VAL A 124 -12.806 8.798 0.250 1.00 0.46 H new ATOM 0 HB VAL A 124 -13.586 5.903 -0.215 1.00 0.45 H new ATOM 0 HG11 VAL A 124 -11.944 5.344 1.546 1.00 0.43 H new ATOM 0 HG12 VAL A 124 -11.169 6.063 0.114 1.00 0.43 H new ATOM 0 HG13 VAL A 124 -11.417 7.044 1.578 1.00 0.43 H new ATOM 0 HG21 VAL A 124 -14.222 5.954 2.172 1.00 0.50 H new ATOM 0 HG22 VAL A 124 -13.807 7.683 2.235 1.00 0.50 H new ATOM 0 HG23 VAL A 124 -15.150 7.127 1.208 1.00 0.50 H new ATOM 1715 N ASN A 125 -12.298 6.905 -2.441 1.00 0.46 N ATOM 1716 CA ASN A 125 -11.355 6.610 -3.519 1.00 0.48 C ATOM 1717 C ASN A 125 -10.918 7.873 -4.253 1.00 0.49 C ATOM 1718 O ASN A 125 -9.734 8.043 -4.555 1.00 0.52 O ATOM 1719 CB ASN A 125 -11.964 5.627 -4.515 1.00 0.50 C ATOM 1720 CG ASN A 125 -11.778 4.185 -4.097 1.00 0.51 C ATOM 1721 OD1 ASN A 125 -10.775 3.826 -3.476 1.00 0.69 O ATOM 1722 ND2 ASN A 125 -12.739 3.345 -4.440 1.00 0.77 N ATOM 0 H ASN A 125 -13.173 6.384 -2.495 1.00 0.46 H new ATOM 0 HA ASN A 125 -10.475 6.162 -3.058 1.00 0.48 H new ATOM 0 HB2 ASN A 125 -13.028 5.836 -4.622 1.00 0.50 H new ATOM 0 HB3 ASN A 125 -11.510 5.779 -5.494 1.00 0.50 H new ATOM 0 HD21 ASN A 125 -12.667 2.359 -4.191 1.00 0.77 H new ATOM 0 HD22 ASN A 125 -13.553 3.683 -4.954 1.00 0.77 H new ATOM 1729 N GLU A 126 -11.872 8.754 -4.527 1.00 0.52 N ATOM 1730 CA GLU A 126 -11.592 10.000 -5.228 1.00 0.56 C ATOM 1731 C GLU A 126 -10.628 10.878 -4.444 1.00 0.55 C ATOM 1732 O GLU A 126 -9.606 11.307 -4.969 1.00 0.64 O ATOM 1733 CB GLU A 126 -12.888 10.768 -5.493 1.00 0.64 C ATOM 1734 CG GLU A 126 -13.609 10.330 -6.755 1.00 0.76 C ATOM 1735 CD GLU A 126 -14.859 11.142 -7.019 1.00 0.91 C ATOM 1736 OE1 GLU A 126 -15.044 12.199 -6.373 1.00 1.30 O ATOM 1737 OE2 GLU A 126 -15.670 10.727 -7.872 1.00 1.27 O ATOM 0 H GLU A 126 -12.852 8.627 -4.273 1.00 0.52 H new ATOM 0 HA GLU A 126 -11.124 9.742 -6.178 1.00 0.56 H new ATOM 0 HB2 GLU A 126 -13.556 10.641 -4.641 1.00 0.64 H new ATOM 0 HB3 GLU A 126 -12.661 11.832 -5.565 1.00 0.64 H new ATOM 0 HG2 GLU A 126 -12.934 10.421 -7.606 1.00 0.76 H new ATOM 0 HG3 GLU A 126 -13.875 9.276 -6.671 1.00 0.76 H new ATOM 1744 N TYR A 127 -10.946 11.119 -3.181 1.00 0.53 N ATOM 1745 CA TYR A 127 -10.116 11.971 -2.335 1.00 0.55 C ATOM 1746 C TYR A 127 -8.787 11.309 -1.969 1.00 0.52 C ATOM 1747 O TYR A 127 -7.841 11.986 -1.569 1.00 0.60 O ATOM 1748 CB TYR A 127 -10.884 12.361 -1.073 1.00 0.59 C ATOM 1749 CG TYR A 127 -11.851 13.501 -1.288 1.00 0.62 C ATOM 1750 CD1 TYR A 127 -11.396 14.765 -1.641 1.00 0.73 C ATOM 1751 CD2 TYR A 127 -13.220 13.315 -1.137 1.00 0.69 C ATOM 1752 CE1 TYR A 127 -12.274 15.810 -1.837 1.00 0.79 C ATOM 1753 CE2 TYR A 127 -14.105 14.357 -1.331 1.00 0.74 C ATOM 1754 CZ TYR A 127 -13.627 15.602 -1.682 1.00 0.74 C ATOM 1755 OH TYR A 127 -14.503 16.647 -1.879 1.00 0.84 O ATOM 0 H TYR A 127 -11.771 10.738 -2.718 1.00 0.53 H new ATOM 0 HA TYR A 127 -9.878 12.868 -2.907 1.00 0.55 H new ATOM 0 HB2 TYR A 127 -11.433 11.493 -0.708 1.00 0.59 H new ATOM 0 HB3 TYR A 127 -10.173 12.639 -0.295 1.00 0.59 H new ATOM 0 HD1 TYR A 127 -10.336 14.932 -1.764 1.00 0.73 H new ATOM 0 HD2 TYR A 127 -13.597 12.341 -0.864 1.00 0.69 H new ATOM 0 HE1 TYR A 127 -11.903 16.787 -2.111 1.00 0.79 H new ATOM 0 HE2 TYR A 127 -15.166 14.198 -1.208 1.00 0.74 H new ATOM 0 HH TYR A 127 -15.421 16.337 -1.732 1.00 0.84 H new ATOM 1765 N LEU A 128 -8.708 9.993 -2.106 1.00 0.49 N ATOM 1766 CA LEU A 128 -7.482 9.273 -1.777 1.00 0.49 C ATOM 1767 C LEU A 128 -6.572 9.135 -2.996 1.00 0.53 C ATOM 1768 O LEU A 128 -5.473 8.591 -2.898 1.00 0.69 O ATOM 1769 CB LEU A 128 -7.800 7.880 -1.222 1.00 0.46 C ATOM 1770 CG LEU A 128 -8.551 7.841 0.116 1.00 0.42 C ATOM 1771 CD1 LEU A 128 -8.359 6.488 0.791 1.00 0.49 C ATOM 1772 CD2 LEU A 128 -8.106 8.978 1.034 1.00 0.44 C ATOM 0 H LEU A 128 -9.471 9.404 -2.440 1.00 0.49 H new ATOM 0 HA LEU A 128 -6.962 9.855 -1.016 1.00 0.49 H new ATOM 0 HB2 LEU A 128 -8.391 7.342 -1.963 1.00 0.46 H new ATOM 0 HB3 LEU A 128 -6.863 7.335 -1.106 1.00 0.46 H new ATOM 0 HG LEU A 128 -9.613 7.979 -0.086 1.00 0.42 H new ATOM 0 HD11 LEU A 128 -8.897 6.475 1.739 1.00 0.49 H new ATOM 0 HD12 LEU A 128 -8.745 5.700 0.144 1.00 0.49 H new ATOM 0 HD13 LEU A 128 -7.298 6.320 0.974 1.00 0.49 H new ATOM 0 HD21 LEU A 128 -8.656 8.923 1.974 1.00 0.44 H new ATOM 0 HD22 LEU A 128 -7.038 8.888 1.233 1.00 0.44 H new ATOM 0 HD23 LEU A 128 -8.306 9.935 0.552 1.00 0.44 H new ATOM 1784 N ASN A 129 -7.026 9.625 -4.143 1.00 0.54 N ATOM 1785 CA ASN A 129 -6.231 9.529 -5.364 1.00 0.59 C ATOM 1786 C ASN A 129 -6.119 10.878 -6.064 1.00 0.65 C ATOM 1787 O ASN A 129 -5.057 11.238 -6.571 1.00 0.78 O ATOM 1788 CB ASN A 129 -6.825 8.489 -6.322 1.00 0.64 C ATOM 1789 CG ASN A 129 -6.490 7.066 -5.910 1.00 0.68 C ATOM 1790 OD1 ASN A 129 -5.432 6.537 -6.254 1.00 0.81 O ATOM 1791 ND2 ASN A 129 -7.392 6.430 -5.176 1.00 0.89 N ATOM 0 H ASN A 129 -7.928 10.087 -4.255 1.00 0.54 H new ATOM 0 HA ASN A 129 -5.229 9.211 -5.075 1.00 0.59 H new ATOM 0 HB2 ASN A 129 -7.908 8.609 -6.358 1.00 0.64 H new ATOM 0 HB3 ASN A 129 -6.450 8.671 -7.329 1.00 0.64 H new ATOM 0 HD21 ASN A 129 -7.221 5.470 -4.877 1.00 0.89 H new ATOM 0 HD22 ASN A 129 -8.257 6.901 -4.910 1.00 0.89 H new ATOM 1798 N ASN A 130 -7.210 11.624 -6.092 1.00 0.67 N ATOM 1799 CA ASN A 130 -7.228 12.928 -6.738 1.00 0.74 C ATOM 1800 C ASN A 130 -7.590 14.012 -5.732 1.00 0.80 C ATOM 1801 O ASN A 130 -8.729 14.526 -5.789 1.00 0.99 O ATOM 1802 CB ASN A 130 -8.225 12.941 -7.901 1.00 0.82 C ATOM 1803 CG ASN A 130 -7.770 12.096 -9.073 1.00 0.91 C ATOM 1804 OD1 ASN A 130 -6.992 12.548 -9.914 1.00 1.10 O ATOM 1805 ND2 ASN A 130 -8.256 10.867 -9.146 1.00 1.09 N ATOM 0 H ASN A 130 -8.099 11.349 -5.674 1.00 0.67 H new ATOM 0 HA ASN A 130 -6.231 13.128 -7.131 1.00 0.74 H new ATOM 0 HB2 ASN A 130 -9.191 12.577 -7.550 1.00 0.82 H new ATOM 0 HB3 ASN A 130 -8.373 13.968 -8.235 1.00 0.82 H new ATOM 0 HD21 ASN A 130 -7.988 10.258 -9.919 1.00 1.09 H new ATOM 0 HD22 ASN A 130 -8.898 10.529 -8.429 1.00 1.09 H new ATOM 1813 N ALA B 26 37.119 -7.915 8.568 1.00 1.24 N ATOM 1814 CA ALA B 26 36.076 -7.247 9.376 1.00 1.15 C ATOM 1815 C ALA B 26 34.731 -7.304 8.661 1.00 1.06 C ATOM 1816 O ALA B 26 34.531 -6.627 7.648 1.00 1.08 O ATOM 1817 CB ALA B 26 36.465 -5.805 9.660 1.00 1.27 C ATOM 0 HA ALA B 26 35.986 -7.774 10.326 1.00 1.15 H new ATOM 0 HB1 ALA B 26 35.686 -5.329 10.256 1.00 1.27 H new ATOM 0 HB2 ALA B 26 37.406 -5.783 10.209 1.00 1.27 H new ATOM 0 HB3 ALA B 26 36.582 -5.268 8.719 1.00 1.27 H new ATOM 1825 N PRO B 27 33.791 -8.114 9.170 1.00 1.03 N ATOM 1826 CA PRO B 27 32.466 -8.262 8.564 1.00 0.98 C ATOM 1827 C PRO B 27 31.693 -6.950 8.527 1.00 0.96 C ATOM 1828 O PRO B 27 31.771 -6.139 9.449 1.00 1.05 O ATOM 1829 CB PRO B 27 31.758 -9.278 9.468 1.00 1.03 C ATOM 1830 CG PRO B 27 32.526 -9.279 10.743 1.00 1.15 C ATOM 1831 CD PRO B 27 33.942 -8.946 10.377 1.00 1.12 C ATOM 0 HA PRO B 27 32.535 -8.580 7.524 1.00 0.98 H new ATOM 0 HB2 PRO B 27 30.719 -8.996 9.636 1.00 1.03 H new ATOM 0 HB3 PRO B 27 31.750 -10.269 9.014 1.00 1.03 H new ATOM 0 HG2 PRO B 27 32.122 -8.547 11.442 1.00 1.15 H new ATOM 0 HG3 PRO B 27 32.468 -10.252 11.232 1.00 1.15 H new ATOM 0 HD2 PRO B 27 34.448 -8.406 11.177 1.00 1.12 H new ATOM 0 HD3 PRO B 27 34.528 -9.843 10.177 1.00 1.12 H new ATOM 1839 N ALA B 28 30.959 -6.746 7.448 1.00 0.95 N ATOM 1840 CA ALA B 28 30.173 -5.535 7.281 1.00 0.96 C ATOM 1841 C ALA B 28 28.700 -5.872 7.118 1.00 0.90 C ATOM 1842 O ALA B 28 27.914 -5.031 6.684 1.00 0.88 O ATOM 1843 CB ALA B 28 30.670 -4.749 6.081 1.00 1.04 C ATOM 0 H ALA B 28 30.890 -7.404 6.672 1.00 0.95 H new ATOM 0 HA ALA B 28 30.288 -4.922 8.175 1.00 0.96 H new ATOM 0 HB1 ALA B 28 30.073 -3.844 5.966 1.00 1.04 H new ATOM 0 HB2 ALA B 28 31.715 -4.478 6.231 1.00 1.04 H new ATOM 0 HB3 ALA B 28 30.579 -5.360 5.183 1.00 1.04 H new ATOM 1849 N GLU B 29 28.347 -7.109 7.482 1.00 0.93 N ATOM 1850 CA GLU B 29 26.975 -7.609 7.384 1.00 0.90 C ATOM 1851 C GLU B 29 26.496 -7.596 5.933 1.00 0.85 C ATOM 1852 O GLU B 29 25.910 -6.623 5.463 1.00 0.82 O ATOM 1853 CB GLU B 29 26.029 -6.806 8.288 1.00 0.91 C ATOM 1854 CG GLU B 29 26.258 -7.054 9.770 1.00 1.14 C ATOM 1855 CD GLU B 29 25.324 -6.255 10.653 1.00 1.10 C ATOM 1856 OE1 GLU B 29 24.093 -6.396 10.507 1.00 1.29 O ATOM 1857 OE2 GLU B 29 25.818 -5.493 11.513 1.00 1.30 O ATOM 0 H GLU B 29 29.007 -7.792 7.853 1.00 0.93 H new ATOM 0 HA GLU B 29 26.966 -8.642 7.732 1.00 0.90 H new ATOM 0 HB2 GLU B 29 26.155 -5.743 8.081 1.00 0.91 H new ATOM 0 HB3 GLU B 29 24.998 -7.059 8.039 1.00 0.91 H new ATOM 0 HG2 GLU B 29 26.128 -8.116 9.980 1.00 1.14 H new ATOM 0 HG3 GLU B 29 27.289 -6.803 10.020 1.00 1.14 H new ATOM 1864 N PRO B 30 26.717 -8.703 5.207 1.00 0.88 N ATOM 1865 CA PRO B 30 26.334 -8.822 3.799 1.00 0.88 C ATOM 1866 C PRO B 30 24.856 -9.160 3.606 1.00 0.82 C ATOM 1867 O PRO B 30 24.472 -9.805 2.629 1.00 0.85 O ATOM 1868 CB PRO B 30 27.218 -9.963 3.306 1.00 1.00 C ATOM 1869 CG PRO B 30 27.433 -10.833 4.498 1.00 1.07 C ATOM 1870 CD PRO B 30 27.345 -9.941 5.712 1.00 0.98 C ATOM 0 HA PRO B 30 26.467 -7.885 3.258 1.00 0.88 H new ATOM 0 HB2 PRO B 30 26.736 -10.514 2.498 1.00 1.00 H new ATOM 0 HB3 PRO B 30 28.164 -9.588 2.916 1.00 1.00 H new ATOM 0 HG2 PRO B 30 26.681 -11.621 4.542 1.00 1.07 H new ATOM 0 HG3 PRO B 30 28.405 -11.323 4.448 1.00 1.07 H new ATOM 0 HD2 PRO B 30 26.747 -10.398 6.500 1.00 0.98 H new ATOM 0 HD3 PRO B 30 28.331 -9.744 6.134 1.00 0.98 H new ATOM 1878 N LYS B 31 24.027 -8.712 4.534 1.00 0.78 N ATOM 1879 CA LYS B 31 22.600 -8.957 4.458 1.00 0.74 C ATOM 1880 C LYS B 31 21.932 -7.868 3.631 1.00 0.69 C ATOM 1881 O LYS B 31 21.450 -6.870 4.168 1.00 0.73 O ATOM 1882 CB LYS B 31 21.984 -9.011 5.857 1.00 0.76 C ATOM 1883 CG LYS B 31 22.289 -10.297 6.612 1.00 0.92 C ATOM 1884 CD LYS B 31 21.017 -11.057 6.960 1.00 1.11 C ATOM 1885 CE LYS B 31 20.427 -11.750 5.743 1.00 1.32 C ATOM 1886 NZ LYS B 31 19.016 -12.166 5.968 1.00 1.45 N ATOM 0 H LYS B 31 24.321 -8.175 5.350 1.00 0.78 H new ATOM 0 HA LYS B 31 22.438 -9.922 3.977 1.00 0.74 H new ATOM 0 HB2 LYS B 31 22.349 -8.164 6.438 1.00 0.76 H new ATOM 0 HB3 LYS B 31 20.903 -8.897 5.773 1.00 0.76 H new ATOM 0 HG2 LYS B 31 22.938 -10.930 6.007 1.00 0.92 H new ATOM 0 HG3 LYS B 31 22.835 -10.062 7.526 1.00 0.92 H new ATOM 0 HD2 LYS B 31 21.234 -11.797 7.731 1.00 1.11 H new ATOM 0 HD3 LYS B 31 20.283 -10.367 7.378 1.00 1.11 H new ATOM 0 HE2 LYS B 31 20.475 -11.079 4.885 1.00 1.32 H new ATOM 0 HE3 LYS B 31 21.028 -12.625 5.497 1.00 1.32 H new ATOM 0 HZ1 LYS B 31 18.652 -12.634 5.114 1.00 1.45 H new ATOM 0 HZ2 LYS B 31 18.972 -12.826 6.770 1.00 1.45 H new ATOM 0 HZ3 LYS B 31 18.436 -11.328 6.177 1.00 1.45 H new ATOM 1900 N ILE B 32 21.940 -8.051 2.320 1.00 0.68 N ATOM 1901 CA ILE B 32 21.339 -7.093 1.404 1.00 0.66 C ATOM 1902 C ILE B 32 19.828 -7.304 1.328 1.00 0.62 C ATOM 1903 O ILE B 32 19.356 -8.414 1.071 1.00 0.67 O ATOM 1904 CB ILE B 32 21.969 -7.187 -0.013 1.00 0.71 C ATOM 1905 CG1 ILE B 32 23.228 -6.313 -0.102 1.00 0.88 C ATOM 1906 CG2 ILE B 32 20.977 -6.781 -1.099 1.00 0.80 C ATOM 1907 CD1 ILE B 32 24.421 -6.867 0.649 1.00 1.20 C ATOM 0 H ILE B 32 22.360 -8.861 1.863 1.00 0.68 H new ATOM 0 HA ILE B 32 21.538 -6.094 1.792 1.00 0.66 H new ATOM 0 HB ILE B 32 22.243 -8.229 -0.179 1.00 0.71 H new ATOM 0 HG12 ILE B 32 23.498 -6.190 -1.151 1.00 0.88 H new ATOM 0 HG13 ILE B 32 22.997 -5.321 0.286 1.00 0.88 H new ATOM 0 HG21 ILE B 32 21.454 -6.860 -2.076 1.00 0.80 H new ATOM 0 HG22 ILE B 32 20.110 -7.441 -1.065 1.00 0.80 H new ATOM 0 HG23 ILE B 32 20.657 -5.752 -0.933 1.00 0.80 H new ATOM 0 HD11 ILE B 32 25.268 -6.191 0.536 1.00 1.20 H new ATOM 0 HD12 ILE B 32 24.173 -6.964 1.706 1.00 1.20 H new ATOM 0 HD13 ILE B 32 24.682 -7.846 0.246 1.00 1.20 H new ATOM 1919 N ILE B 33 19.078 -6.241 1.573 1.00 0.58 N ATOM 1920 CA ILE B 33 17.627 -6.305 1.523 1.00 0.56 C ATOM 1921 C ILE B 33 17.120 -5.798 0.179 1.00 0.54 C ATOM 1922 O ILE B 33 17.764 -4.964 -0.464 1.00 0.60 O ATOM 1923 CB ILE B 33 16.968 -5.492 2.657 1.00 0.56 C ATOM 1924 CG1 ILE B 33 17.458 -4.042 2.637 1.00 0.59 C ATOM 1925 CG2 ILE B 33 17.253 -6.139 4.005 1.00 0.67 C ATOM 1926 CD1 ILE B 33 16.547 -3.086 3.374 1.00 0.67 C ATOM 0 H ILE B 33 19.452 -5.322 1.809 1.00 0.58 H new ATOM 0 HA ILE B 33 17.351 -7.351 1.654 1.00 0.56 H new ATOM 0 HB ILE B 33 15.890 -5.487 2.498 1.00 0.56 H new ATOM 0 HG12 ILE B 33 18.453 -3.997 3.080 1.00 0.59 H new ATOM 0 HG13 ILE B 33 17.555 -3.714 1.602 1.00 0.59 H new ATOM 0 HG21 ILE B 33 16.782 -5.555 4.796 1.00 0.67 H new ATOM 0 HG22 ILE B 33 16.852 -7.152 4.014 1.00 0.67 H new ATOM 0 HG23 ILE B 33 18.330 -6.174 4.172 1.00 0.67 H new ATOM 0 HD11 ILE B 33 16.956 -2.077 3.318 1.00 0.67 H new ATOM 0 HD12 ILE B 33 15.557 -3.102 2.917 1.00 0.67 H new ATOM 0 HD13 ILE B 33 16.470 -3.389 4.418 1.00 0.67 H new ATOM 1938 N LYS B 34 15.975 -6.303 -0.239 1.00 0.53 N ATOM 1939 CA LYS B 34 15.390 -5.906 -1.508 1.00 0.53 C ATOM 1940 C LYS B 34 14.308 -4.859 -1.293 1.00 0.48 C ATOM 1941 O LYS B 34 13.241 -5.151 -0.746 1.00 0.57 O ATOM 1942 CB LYS B 34 14.813 -7.127 -2.225 1.00 0.58 C ATOM 1943 CG LYS B 34 15.773 -8.303 -2.277 1.00 0.76 C ATOM 1944 CD LYS B 34 15.194 -9.461 -3.072 1.00 0.87 C ATOM 1945 CE LYS B 34 15.771 -9.513 -4.479 1.00 1.07 C ATOM 1946 NZ LYS B 34 17.218 -9.857 -4.476 1.00 1.31 N ATOM 0 H LYS B 34 15.430 -6.990 0.282 1.00 0.53 H new ATOM 0 HA LYS B 34 16.171 -5.469 -2.130 1.00 0.53 H new ATOM 0 HB2 LYS B 34 13.897 -7.436 -1.721 1.00 0.58 H new ATOM 0 HB3 LYS B 34 14.538 -6.846 -3.242 1.00 0.58 H new ATOM 0 HG2 LYS B 34 16.714 -7.986 -2.727 1.00 0.76 H new ATOM 0 HG3 LYS B 34 16.000 -8.634 -1.263 1.00 0.76 H new ATOM 0 HD2 LYS B 34 15.403 -10.398 -2.557 1.00 0.87 H new ATOM 0 HD3 LYS B 34 14.110 -9.361 -3.125 1.00 0.87 H new ATOM 0 HE2 LYS B 34 15.225 -10.250 -5.068 1.00 1.07 H new ATOM 0 HE3 LYS B 34 15.629 -8.548 -4.965 1.00 1.07 H new ATOM 0 HZ1 LYS B 34 17.478 -10.274 -5.393 1.00 1.31 H new ATOM 0 HZ2 LYS B 34 17.779 -8.996 -4.316 1.00 1.31 H new ATOM 0 HZ3 LYS B 34 17.410 -10.542 -3.717 1.00 1.31 H new ATOM 1960 N VAL B 35 14.593 -3.635 -1.704 1.00 0.44 N ATOM 1961 CA VAL B 35 13.648 -2.543 -1.554 1.00 0.41 C ATOM 1962 C VAL B 35 13.171 -2.061 -2.923 1.00 0.42 C ATOM 1963 O VAL B 35 13.941 -1.500 -3.706 1.00 0.45 O ATOM 1964 CB VAL B 35 14.260 -1.372 -0.740 1.00 0.40 C ATOM 1965 CG1 VAL B 35 15.676 -1.059 -1.201 1.00 0.42 C ATOM 1966 CG2 VAL B 35 13.381 -0.131 -0.817 1.00 0.40 C ATOM 0 H VAL B 35 15.474 -3.373 -2.145 1.00 0.44 H new ATOM 0 HA VAL B 35 12.788 -2.916 -0.997 1.00 0.41 H new ATOM 0 HB VAL B 35 14.309 -1.688 0.302 1.00 0.40 H new ATOM 0 HG11 VAL B 35 16.077 -0.234 -0.611 1.00 0.42 H new ATOM 0 HG12 VAL B 35 16.305 -1.939 -1.068 1.00 0.42 H new ATOM 0 HG13 VAL B 35 15.662 -0.779 -2.254 1.00 0.42 H new ATOM 0 HG21 VAL B 35 13.835 0.673 -0.237 1.00 0.40 H new ATOM 0 HG22 VAL B 35 13.283 0.182 -1.857 1.00 0.40 H new ATOM 0 HG23 VAL B 35 12.395 -0.358 -0.412 1.00 0.40 H new ATOM 1976 N THR B 36 11.905 -2.308 -3.216 1.00 0.41 N ATOM 1977 CA THR B 36 11.328 -1.905 -4.483 1.00 0.43 C ATOM 1978 C THR B 36 10.710 -0.516 -4.362 1.00 0.39 C ATOM 1979 O THR B 36 9.762 -0.309 -3.601 1.00 0.40 O ATOM 1980 CB THR B 36 10.261 -2.911 -4.947 1.00 0.48 C ATOM 1981 OG1 THR B 36 10.596 -4.233 -4.483 1.00 0.56 O ATOM 1982 CG2 THR B 36 10.148 -2.917 -6.464 1.00 0.57 C ATOM 0 H THR B 36 11.258 -2.787 -2.590 1.00 0.41 H new ATOM 0 HA THR B 36 12.126 -1.881 -5.225 1.00 0.43 H new ATOM 0 HB THR B 36 9.302 -2.610 -4.526 1.00 0.48 H new ATOM 0 HG1 THR B 36 11.412 -4.540 -4.931 1.00 0.56 H new ATOM 0 HG21 THR B 36 9.388 -3.636 -6.769 1.00 0.57 H new ATOM 0 HG22 THR B 36 9.868 -1.923 -6.812 1.00 0.57 H new ATOM 0 HG23 THR B 36 11.107 -3.197 -6.899 1.00 0.57 H new ATOM 1990 N VAL B 37 11.249 0.436 -5.108 1.00 0.41 N ATOM 1991 CA VAL B 37 10.766 1.806 -5.062 1.00 0.40 C ATOM 1992 C VAL B 37 9.809 2.102 -6.210 1.00 0.43 C ATOM 1993 O VAL B 37 10.138 1.900 -7.381 1.00 0.51 O ATOM 1994 CB VAL B 37 11.934 2.815 -5.111 1.00 0.46 C ATOM 1995 CG1 VAL B 37 11.431 4.243 -4.943 1.00 0.52 C ATOM 1996 CG2 VAL B 37 12.971 2.493 -4.046 1.00 0.46 C ATOM 0 H VAL B 37 12.023 0.284 -5.754 1.00 0.41 H new ATOM 0 HA VAL B 37 10.233 1.916 -4.117 1.00 0.40 H new ATOM 0 HB VAL B 37 12.405 2.731 -6.091 1.00 0.46 H new ATOM 0 HG11 VAL B 37 12.274 4.933 -4.981 1.00 0.52 H new ATOM 0 HG12 VAL B 37 10.732 4.479 -5.745 1.00 0.52 H new ATOM 0 HG13 VAL B 37 10.926 4.340 -3.982 1.00 0.52 H new ATOM 0 HG21 VAL B 37 13.784 3.217 -4.099 1.00 0.46 H new ATOM 0 HG22 VAL B 37 12.507 2.540 -3.061 1.00 0.46 H new ATOM 0 HG23 VAL B 37 13.366 1.491 -4.214 1.00 0.46 H new ATOM 2006 N LYS B 38 8.621 2.570 -5.860 1.00 0.41 N ATOM 2007 CA LYS B 38 7.617 2.930 -6.845 1.00 0.46 C ATOM 2008 C LYS B 38 7.789 4.392 -7.209 1.00 0.50 C ATOM 2009 O LYS B 38 7.872 5.245 -6.329 1.00 0.63 O ATOM 2010 CB LYS B 38 6.204 2.699 -6.298 1.00 0.51 C ATOM 2011 CG LYS B 38 5.923 1.263 -5.888 1.00 0.65 C ATOM 2012 CD LYS B 38 4.590 1.138 -5.161 1.00 0.80 C ATOM 2013 CE LYS B 38 3.423 1.556 -6.047 1.00 1.18 C ATOM 2014 NZ LYS B 38 2.113 1.170 -5.456 1.00 1.38 N ATOM 0 H LYS B 38 8.329 2.710 -4.893 1.00 0.41 H new ATOM 0 HA LYS B 38 7.747 2.303 -7.727 1.00 0.46 H new ATOM 0 HB2 LYS B 38 6.049 3.348 -5.436 1.00 0.51 H new ATOM 0 HB3 LYS B 38 5.480 2.997 -7.056 1.00 0.51 H new ATOM 0 HG2 LYS B 38 5.917 0.626 -6.773 1.00 0.65 H new ATOM 0 HG3 LYS B 38 6.725 0.905 -5.243 1.00 0.65 H new ATOM 0 HD2 LYS B 38 4.449 0.108 -4.835 1.00 0.80 H new ATOM 0 HD3 LYS B 38 4.605 1.757 -4.264 1.00 0.80 H new ATOM 0 HE2 LYS B 38 3.450 2.635 -6.198 1.00 1.18 H new ATOM 0 HE3 LYS B 38 3.529 1.094 -7.029 1.00 1.18 H new ATOM 0 HZ1 LYS B 38 1.375 1.820 -5.793 1.00 1.38 H new ATOM 0 HZ2 LYS B 38 1.876 0.199 -5.742 1.00 1.38 H new ATOM 0 HZ3 LYS B 38 2.172 1.221 -4.419 1.00 1.38 H new ATOM 2028 N THR B 39 7.857 4.682 -8.493 1.00 0.55 N ATOM 2029 CA THR B 39 8.031 6.050 -8.944 1.00 0.60 C ATOM 2030 C THR B 39 7.023 6.381 -10.032 1.00 0.65 C ATOM 2031 O THR B 39 6.460 5.472 -10.651 1.00 0.67 O ATOM 2032 CB THR B 39 9.461 6.278 -9.494 1.00 0.64 C ATOM 2033 OG1 THR B 39 9.869 5.161 -10.295 1.00 0.78 O ATOM 2034 CG2 THR B 39 10.460 6.486 -8.366 1.00 0.68 C ATOM 0 H THR B 39 7.795 3.992 -9.241 1.00 0.55 H new ATOM 0 HA THR B 39 7.873 6.703 -8.085 1.00 0.60 H new ATOM 0 HB THR B 39 9.440 7.179 -10.108 1.00 0.64 H new ATOM 0 HG1 THR B 39 9.087 4.612 -10.514 1.00 0.78 H new ATOM 0 HG21 THR B 39 11.454 6.643 -8.785 1.00 0.68 H new ATOM 0 HG22 THR B 39 10.171 7.358 -7.780 1.00 0.68 H new ATOM 0 HG23 THR B 39 10.472 5.605 -7.724 1.00 0.68 H new ATOM 2042 N PRO B 40 6.752 7.675 -10.270 1.00 0.71 N ATOM 2043 CA PRO B 40 5.831 8.106 -11.327 1.00 0.78 C ATOM 2044 C PRO B 40 6.461 7.924 -12.707 1.00 0.81 C ATOM 2045 O PRO B 40 6.588 8.876 -13.482 1.00 0.87 O ATOM 2046 CB PRO B 40 5.622 9.592 -11.029 1.00 0.83 C ATOM 2047 CG PRO B 40 6.845 10.018 -10.298 1.00 0.85 C ATOM 2048 CD PRO B 40 7.298 8.819 -9.511 1.00 0.73 C ATOM 0 HA PRO B 40 4.904 7.533 -11.340 1.00 0.78 H new ATOM 0 HB2 PRO B 40 5.493 10.164 -11.948 1.00 0.83 H new ATOM 0 HB3 PRO B 40 4.728 9.751 -10.427 1.00 0.83 H new ATOM 0 HG2 PRO B 40 7.620 10.345 -10.992 1.00 0.85 H new ATOM 0 HG3 PRO B 40 6.632 10.859 -9.639 1.00 0.85 H new ATOM 0 HD2 PRO B 40 8.385 8.772 -9.443 1.00 0.73 H new ATOM 0 HD3 PRO B 40 6.915 8.842 -8.491 1.00 0.73 H new ATOM 2056 N LYS B 41 6.851 6.687 -12.994 1.00 0.82 N ATOM 2057 CA LYS B 41 7.504 6.341 -14.249 1.00 0.87 C ATOM 2058 C LYS B 41 7.678 4.826 -14.365 1.00 0.84 C ATOM 2059 O LYS B 41 7.232 4.213 -15.336 1.00 0.92 O ATOM 2060 CB LYS B 41 8.872 7.033 -14.331 1.00 0.93 C ATOM 2061 CG LYS B 41 9.619 6.798 -15.633 1.00 1.13 C ATOM 2062 CD LYS B 41 10.488 7.991 -16.008 1.00 1.21 C ATOM 2063 CE LYS B 41 11.519 8.310 -14.931 1.00 1.44 C ATOM 2064 NZ LYS B 41 12.164 9.634 -15.153 1.00 1.37 N ATOM 0 H LYS B 41 6.723 5.896 -12.362 1.00 0.82 H new ATOM 0 HA LYS B 41 6.878 6.681 -15.074 1.00 0.87 H new ATOM 0 HB2 LYS B 41 8.731 8.105 -14.196 1.00 0.93 H new ATOM 0 HB3 LYS B 41 9.491 6.686 -13.504 1.00 0.93 H new ATOM 0 HG2 LYS B 41 10.243 5.909 -15.539 1.00 1.13 H new ATOM 0 HG3 LYS B 41 8.904 6.603 -16.432 1.00 1.13 H new ATOM 0 HD2 LYS B 41 10.999 7.786 -16.949 1.00 1.21 H new ATOM 0 HD3 LYS B 41 9.855 8.863 -16.173 1.00 1.21 H new ATOM 0 HE2 LYS B 41 11.037 8.300 -13.953 1.00 1.44 H new ATOM 0 HE3 LYS B 41 12.282 7.532 -14.918 1.00 1.44 H new ATOM 0 HZ1 LYS B 41 12.858 9.813 -14.399 1.00 1.37 H new ATOM 0 HZ2 LYS B 41 12.646 9.635 -16.075 1.00 1.37 H new ATOM 0 HZ3 LYS B 41 11.439 10.380 -15.140 1.00 1.37 H new ATOM 2078 N GLU B 42 8.323 4.228 -13.370 1.00 0.77 N ATOM 2079 CA GLU B 42 8.566 2.789 -13.362 1.00 0.75 C ATOM 2080 C GLU B 42 8.682 2.275 -11.931 1.00 0.70 C ATOM 2081 O GLU B 42 8.302 2.966 -10.982 1.00 0.73 O ATOM 2082 CB GLU B 42 9.844 2.462 -14.139 1.00 0.83 C ATOM 2083 CG GLU B 42 9.585 1.983 -15.557 1.00 1.03 C ATOM 2084 CD GLU B 42 10.804 2.104 -16.448 1.00 1.08 C ATOM 2085 OE1 GLU B 42 11.205 3.245 -16.760 1.00 1.41 O ATOM 2086 OE2 GLU B 42 11.360 1.060 -16.851 1.00 1.28 O ATOM 0 H GLU B 42 8.689 4.719 -12.555 1.00 0.77 H new ATOM 0 HA GLU B 42 7.722 2.295 -13.844 1.00 0.75 H new ATOM 0 HB2 GLU B 42 10.476 3.349 -14.173 1.00 0.83 H new ATOM 0 HB3 GLU B 42 10.401 1.695 -13.601 1.00 0.83 H new ATOM 0 HG2 GLU B 42 9.261 0.943 -15.531 1.00 1.03 H new ATOM 0 HG3 GLU B 42 8.767 2.561 -15.987 1.00 1.03 H new ATOM 2093 N LYS B 43 9.190 1.062 -11.783 1.00 0.68 N ATOM 2094 CA LYS B 43 9.363 0.453 -10.477 1.00 0.64 C ATOM 2095 C LYS B 43 10.704 -0.271 -10.420 1.00 0.63 C ATOM 2096 O LYS B 43 10.816 -1.425 -10.839 1.00 0.74 O ATOM 2097 CB LYS B 43 8.212 -0.519 -10.200 1.00 0.67 C ATOM 2098 CG LYS B 43 8.098 -0.941 -8.745 1.00 0.67 C ATOM 2099 CD LYS B 43 6.860 -1.794 -8.495 1.00 0.74 C ATOM 2100 CE LYS B 43 6.947 -3.133 -9.210 1.00 0.83 C ATOM 2101 NZ LYS B 43 5.618 -3.791 -9.316 1.00 0.98 N ATOM 0 H LYS B 43 9.492 0.476 -12.561 1.00 0.68 H new ATOM 0 HA LYS B 43 9.353 1.228 -9.711 1.00 0.64 H new ATOM 0 HB2 LYS B 43 7.275 -0.054 -10.508 1.00 0.67 H new ATOM 0 HB3 LYS B 43 8.344 -1.408 -10.817 1.00 0.67 H new ATOM 0 HG2 LYS B 43 8.988 -1.501 -8.459 1.00 0.67 H new ATOM 0 HG3 LYS B 43 8.062 -0.054 -8.112 1.00 0.67 H new ATOM 0 HD2 LYS B 43 6.742 -1.960 -7.424 1.00 0.74 H new ATOM 0 HD3 LYS B 43 5.974 -1.257 -8.834 1.00 0.74 H new ATOM 0 HE2 LYS B 43 7.360 -2.986 -10.208 1.00 0.83 H new ATOM 0 HE3 LYS B 43 7.634 -3.787 -8.674 1.00 0.83 H new ATOM 0 HZ1 LYS B 43 5.719 -4.701 -9.809 1.00 0.98 H new ATOM 0 HZ2 LYS B 43 5.235 -3.955 -8.363 1.00 0.98 H new ATOM 0 HZ3 LYS B 43 4.969 -3.178 -9.850 1.00 0.98 H new ATOM 2115 N GLU B 44 11.716 0.421 -9.916 1.00 0.59 N ATOM 2116 CA GLU B 44 13.056 -0.139 -9.810 1.00 0.60 C ATOM 2117 C GLU B 44 13.312 -0.634 -8.391 1.00 0.56 C ATOM 2118 O GLU B 44 12.744 -0.111 -7.428 1.00 0.60 O ATOM 2119 CB GLU B 44 14.102 0.913 -10.200 1.00 0.64 C ATOM 2120 CG GLU B 44 14.811 0.625 -11.519 1.00 0.81 C ATOM 2121 CD GLU B 44 13.887 0.685 -12.720 1.00 1.02 C ATOM 2122 OE1 GLU B 44 13.264 -0.347 -13.048 1.00 1.24 O ATOM 2123 OE2 GLU B 44 13.798 1.762 -13.360 1.00 1.21 O ATOM 0 H GLU B 44 11.633 1.378 -9.572 1.00 0.59 H new ATOM 0 HA GLU B 44 13.136 -0.984 -10.494 1.00 0.60 H new ATOM 0 HB2 GLU B 44 13.616 1.886 -10.266 1.00 0.64 H new ATOM 0 HB3 GLU B 44 14.846 0.981 -9.407 1.00 0.64 H new ATOM 0 HG2 GLU B 44 15.619 1.344 -11.654 1.00 0.81 H new ATOM 0 HG3 GLU B 44 15.269 -0.363 -11.470 1.00 0.81 H new ATOM 2130 N GLU B 45 14.159 -1.642 -8.259 1.00 0.56 N ATOM 2131 CA GLU B 45 14.480 -2.206 -6.959 1.00 0.53 C ATOM 2132 C GLU B 45 15.949 -1.989 -6.627 1.00 0.55 C ATOM 2133 O GLU B 45 16.828 -2.307 -7.426 1.00 0.64 O ATOM 2134 CB GLU B 45 14.146 -3.698 -6.933 1.00 0.57 C ATOM 2135 CG GLU B 45 14.306 -4.331 -5.563 1.00 0.58 C ATOM 2136 CD GLU B 45 13.847 -5.770 -5.537 1.00 0.76 C ATOM 2137 OE1 GLU B 45 14.609 -6.651 -5.996 1.00 0.99 O ATOM 2138 OE2 GLU B 45 12.722 -6.026 -5.059 1.00 0.94 O ATOM 0 H GLU B 45 14.639 -2.088 -9.041 1.00 0.56 H new ATOM 0 HA GLU B 45 13.879 -1.698 -6.205 1.00 0.53 H new ATOM 0 HB2 GLU B 45 13.119 -3.838 -7.271 1.00 0.57 H new ATOM 0 HB3 GLU B 45 14.789 -4.219 -7.642 1.00 0.57 H new ATOM 0 HG2 GLU B 45 15.353 -4.281 -5.262 1.00 0.58 H new ATOM 0 HG3 GLU B 45 13.736 -3.757 -4.832 1.00 0.58 H new ATOM 2145 N PHE B 46 16.203 -1.450 -5.445 1.00 0.51 N ATOM 2146 CA PHE B 46 17.563 -1.179 -5.000 1.00 0.54 C ATOM 2147 C PHE B 46 18.079 -2.310 -4.118 1.00 0.54 C ATOM 2148 O PHE B 46 17.307 -3.160 -3.665 1.00 0.54 O ATOM 2149 CB PHE B 46 17.625 0.149 -4.239 1.00 0.53 C ATOM 2150 CG PHE B 46 17.522 1.363 -5.121 1.00 0.58 C ATOM 2151 CD1 PHE B 46 16.309 1.730 -5.684 1.00 0.72 C ATOM 2152 CD2 PHE B 46 18.640 2.137 -5.384 1.00 0.78 C ATOM 2153 CE1 PHE B 46 16.215 2.846 -6.493 1.00 0.85 C ATOM 2154 CE2 PHE B 46 18.552 3.253 -6.194 1.00 0.90 C ATOM 2155 CZ PHE B 46 17.339 3.607 -6.749 1.00 0.87 C ATOM 0 H PHE B 46 15.482 -1.190 -4.772 1.00 0.51 H new ATOM 0 HA PHE B 46 18.199 -1.109 -5.882 1.00 0.54 H new ATOM 0 HB2 PHE B 46 16.818 0.175 -3.507 1.00 0.53 H new ATOM 0 HB3 PHE B 46 18.561 0.194 -3.683 1.00 0.53 H new ATOM 0 HD1 PHE B 46 15.428 1.137 -5.488 1.00 0.72 H new ATOM 0 HD2 PHE B 46 19.591 1.865 -4.951 1.00 0.78 H new ATOM 0 HE1 PHE B 46 15.264 3.123 -6.924 1.00 0.85 H new ATOM 0 HE2 PHE B 46 19.431 3.848 -6.393 1.00 0.90 H new ATOM 0 HZ PHE B 46 17.269 4.478 -7.383 1.00 0.87 H new ATOM 2165 N ALA B 47 19.383 -2.314 -3.881 1.00 0.57 N ATOM 2166 CA ALA B 47 20.011 -3.338 -3.057 1.00 0.60 C ATOM 2167 C ALA B 47 20.927 -2.702 -2.018 1.00 0.60 C ATOM 2168 O ALA B 47 22.029 -2.248 -2.339 1.00 0.66 O ATOM 2169 CB ALA B 47 20.791 -4.309 -3.931 1.00 0.69 C ATOM 0 H ALA B 47 20.030 -1.616 -4.249 1.00 0.57 H new ATOM 0 HA ALA B 47 19.230 -3.889 -2.533 1.00 0.60 H new ATOM 0 HB1 ALA B 47 21.256 -5.070 -3.304 1.00 0.69 H new ATOM 0 HB2 ALA B 47 20.113 -4.786 -4.639 1.00 0.69 H new ATOM 0 HB3 ALA B 47 21.563 -3.767 -4.477 1.00 0.69 H new ATOM 2175 N VAL B 48 20.466 -2.657 -0.778 1.00 0.57 N ATOM 2176 CA VAL B 48 21.244 -2.073 0.306 1.00 0.59 C ATOM 2177 C VAL B 48 21.358 -3.046 1.473 1.00 0.58 C ATOM 2178 O VAL B 48 20.493 -3.899 1.658 1.00 0.57 O ATOM 2179 CB VAL B 48 20.624 -0.745 0.804 1.00 0.59 C ATOM 2180 CG1 VAL B 48 20.755 0.340 -0.254 1.00 0.66 C ATOM 2181 CG2 VAL B 48 19.163 -0.935 1.195 1.00 0.56 C ATOM 0 H VAL B 48 19.555 -3.018 -0.496 1.00 0.57 H new ATOM 0 HA VAL B 48 22.237 -1.863 -0.091 1.00 0.59 H new ATOM 0 HB VAL B 48 21.174 -0.431 1.691 1.00 0.59 H new ATOM 0 HG11 VAL B 48 20.313 1.265 0.117 1.00 0.66 H new ATOM 0 HG12 VAL B 48 21.809 0.506 -0.477 1.00 0.66 H new ATOM 0 HG13 VAL B 48 20.237 0.028 -1.161 1.00 0.66 H new ATOM 0 HG21 VAL B 48 18.753 0.014 1.541 1.00 0.56 H new ATOM 0 HG22 VAL B 48 18.597 -1.281 0.330 1.00 0.56 H new ATOM 0 HG23 VAL B 48 19.093 -1.673 1.994 1.00 0.56 H new ATOM 2191 N PRO B 49 22.438 -2.952 2.259 1.00 0.62 N ATOM 2192 CA PRO B 49 22.640 -3.827 3.413 1.00 0.63 C ATOM 2193 C PRO B 49 21.712 -3.461 4.572 1.00 0.60 C ATOM 2194 O PRO B 49 21.133 -2.371 4.597 1.00 0.61 O ATOM 2195 CB PRO B 49 24.101 -3.583 3.791 1.00 0.69 C ATOM 2196 CG PRO B 49 24.404 -2.210 3.301 1.00 0.79 C ATOM 2197 CD PRO B 49 23.549 -1.998 2.083 1.00 0.67 C ATOM 0 HA PRO B 49 22.420 -4.870 3.187 1.00 0.63 H new ATOM 0 HB2 PRO B 49 24.247 -3.658 4.869 1.00 0.69 H new ATOM 0 HB3 PRO B 49 24.757 -4.321 3.328 1.00 0.69 H new ATOM 0 HG2 PRO B 49 24.182 -1.466 4.066 1.00 0.79 H new ATOM 0 HG3 PRO B 49 25.461 -2.109 3.056 1.00 0.79 H new ATOM 0 HD2 PRO B 49 23.188 -0.971 2.022 1.00 0.67 H new ATOM 0 HD3 PRO B 49 24.104 -2.196 1.166 1.00 0.67 H new ATOM 2205 N GLU B 50 21.584 -4.366 5.533 1.00 0.61 N ATOM 2206 CA GLU B 50 20.720 -4.146 6.687 1.00 0.61 C ATOM 2207 C GLU B 50 21.304 -3.091 7.625 1.00 0.67 C ATOM 2208 O GLU B 50 20.621 -2.591 8.516 1.00 1.01 O ATOM 2209 CB GLU B 50 20.499 -5.457 7.441 1.00 0.68 C ATOM 2210 CG GLU B 50 19.253 -5.451 8.305 1.00 0.86 C ATOM 2211 CD GLU B 50 19.200 -6.623 9.257 1.00 0.93 C ATOM 2212 OE1 GLU B 50 20.186 -6.851 9.983 1.00 1.12 O ATOM 2213 OE2 GLU B 50 18.163 -7.318 9.289 1.00 1.08 O ATOM 0 H GLU B 50 22.069 -5.263 5.537 1.00 0.61 H new ATOM 0 HA GLU B 50 19.761 -3.779 6.322 1.00 0.61 H new ATOM 0 HB2 GLU B 50 20.430 -6.274 6.723 1.00 0.68 H new ATOM 0 HB3 GLU B 50 21.367 -5.657 8.069 1.00 0.68 H new ATOM 0 HG2 GLU B 50 19.215 -4.523 8.875 1.00 0.86 H new ATOM 0 HG3 GLU B 50 18.371 -5.468 7.664 1.00 0.86 H new ATOM 2220 N ASN B 51 22.570 -2.764 7.436 1.00 0.67 N ATOM 2221 CA ASN B 51 23.226 -1.765 8.262 1.00 0.69 C ATOM 2222 C ASN B 51 23.513 -0.511 7.439 1.00 0.71 C ATOM 2223 O ASN B 51 24.589 -0.350 6.865 1.00 0.96 O ATOM 2224 CB ASN B 51 24.513 -2.324 8.898 1.00 0.76 C ATOM 2225 CG ASN B 51 25.505 -2.890 7.892 1.00 0.86 C ATOM 2226 OD1 ASN B 51 25.138 -3.322 6.801 1.00 0.87 O ATOM 2227 ND2 ASN B 51 26.773 -2.897 8.262 1.00 1.20 N ATOM 0 H ASN B 51 23.165 -3.176 6.717 1.00 0.67 H new ATOM 0 HA ASN B 51 22.555 -1.496 9.077 1.00 0.69 H new ATOM 0 HB2 ASN B 51 25.000 -1.531 9.466 1.00 0.76 H new ATOM 0 HB3 ASN B 51 24.245 -3.106 9.608 1.00 0.76 H new ATOM 0 HD21 ASN B 51 27.485 -3.270 7.634 1.00 1.20 H new ATOM 0 HD22 ASN B 51 27.040 -2.530 9.175 1.00 1.20 H new ATOM 2234 N SER B 52 22.525 0.365 7.360 1.00 0.65 N ATOM 2235 CA SER B 52 22.656 1.605 6.609 1.00 0.67 C ATOM 2236 C SER B 52 21.681 2.653 7.133 1.00 0.63 C ATOM 2237 O SER B 52 20.810 2.347 7.950 1.00 0.68 O ATOM 2238 CB SER B 52 22.399 1.358 5.122 1.00 0.71 C ATOM 2239 OG SER B 52 23.468 0.644 4.524 1.00 0.86 O ATOM 0 H SER B 52 21.618 0.240 7.809 1.00 0.65 H new ATOM 0 HA SER B 52 23.674 1.974 6.737 1.00 0.67 H new ATOM 0 HB2 SER B 52 21.472 0.798 5.000 1.00 0.71 H new ATOM 0 HB3 SER B 52 22.265 2.311 4.611 1.00 0.71 H new ATOM 0 HG SER B 52 24.081 0.329 5.221 1.00 0.86 H new ATOM 2245 N SER B 53 21.828 3.881 6.653 1.00 0.65 N ATOM 2246 CA SER B 53 20.965 4.977 7.069 1.00 0.64 C ATOM 2247 C SER B 53 20.070 5.429 5.914 1.00 0.57 C ATOM 2248 O SER B 53 20.395 5.212 4.743 1.00 0.58 O ATOM 2249 CB SER B 53 21.820 6.141 7.571 1.00 0.75 C ATOM 2250 OG SER B 53 22.675 5.722 8.620 1.00 0.89 O ATOM 0 H SER B 53 22.541 4.143 5.972 1.00 0.65 H new ATOM 0 HA SER B 53 20.321 4.632 7.878 1.00 0.64 H new ATOM 0 HB2 SER B 53 22.414 6.542 6.750 1.00 0.75 H new ATOM 0 HB3 SER B 53 21.175 6.947 7.921 1.00 0.75 H new ATOM 0 HG SER B 53 23.214 6.481 8.925 1.00 0.89 H new ATOM 2256 N VAL B 54 18.953 6.066 6.254 1.00 0.54 N ATOM 2257 CA VAL B 54 17.997 6.545 5.258 1.00 0.49 C ATOM 2258 C VAL B 54 18.606 7.634 4.380 1.00 0.48 C ATOM 2259 O VAL B 54 18.404 7.649 3.166 1.00 0.47 O ATOM 2260 CB VAL B 54 16.716 7.090 5.925 1.00 0.52 C ATOM 2261 CG1 VAL B 54 15.745 7.629 4.885 1.00 0.57 C ATOM 2262 CG2 VAL B 54 16.054 6.008 6.763 1.00 0.58 C ATOM 0 H VAL B 54 18.686 6.264 7.218 1.00 0.54 H new ATOM 0 HA VAL B 54 17.738 5.689 4.635 1.00 0.49 H new ATOM 0 HB VAL B 54 16.999 7.914 6.580 1.00 0.52 H new ATOM 0 HG11 VAL B 54 14.852 8.006 5.382 1.00 0.57 H new ATOM 0 HG12 VAL B 54 16.219 8.437 4.329 1.00 0.57 H new ATOM 0 HG13 VAL B 54 15.467 6.830 4.198 1.00 0.57 H new ATOM 0 HG21 VAL B 54 15.152 6.408 7.227 1.00 0.58 H new ATOM 0 HG22 VAL B 54 15.791 5.164 6.125 1.00 0.58 H new ATOM 0 HG23 VAL B 54 16.744 5.675 7.539 1.00 0.58 H new ATOM 2272 N GLN B 55 19.358 8.541 4.997 1.00 0.53 N ATOM 2273 CA GLN B 55 19.999 9.625 4.262 1.00 0.58 C ATOM 2274 C GLN B 55 20.911 9.070 3.171 1.00 0.58 C ATOM 2275 O GLN B 55 21.040 9.658 2.094 1.00 0.64 O ATOM 2276 CB GLN B 55 20.794 10.526 5.210 1.00 0.67 C ATOM 2277 CG GLN B 55 19.929 11.278 6.209 1.00 0.88 C ATOM 2278 CD GLN B 55 20.631 12.488 6.793 1.00 0.92 C ATOM 2279 OE1 GLN B 55 21.424 13.140 6.122 1.00 1.13 O ATOM 2280 NE2 GLN B 55 20.349 12.788 8.052 1.00 1.23 N ATOM 0 H GLN B 55 19.538 8.546 6.001 1.00 0.53 H new ATOM 0 HA GLN B 55 19.218 10.222 3.791 1.00 0.58 H new ATOM 0 HB2 GLN B 55 21.517 9.918 5.754 1.00 0.67 H new ATOM 0 HB3 GLN B 55 21.363 11.246 4.621 1.00 0.67 H new ATOM 0 HG2 GLN B 55 19.009 11.597 5.719 1.00 0.88 H new ATOM 0 HG3 GLN B 55 19.643 10.604 7.016 1.00 0.88 H new ATOM 0 HE21 GLN B 55 19.683 12.219 8.575 1.00 1.23 H new ATOM 0 HE22 GLN B 55 20.798 13.588 8.499 1.00 1.23 H new ATOM 2289 N GLN B 56 21.519 7.923 3.450 1.00 0.56 N ATOM 2290 CA GLN B 56 22.408 7.264 2.502 1.00 0.60 C ATOM 2291 C GLN B 56 21.610 6.706 1.327 1.00 0.55 C ATOM 2292 O GLN B 56 22.062 6.734 0.179 1.00 0.62 O ATOM 2293 CB GLN B 56 23.168 6.134 3.200 1.00 0.65 C ATOM 2294 CG GLN B 56 24.481 5.770 2.531 1.00 0.80 C ATOM 2295 CD GLN B 56 25.673 6.031 3.428 1.00 1.02 C ATOM 2296 OE1 GLN B 56 26.058 5.176 4.228 1.00 1.35 O ATOM 2297 NE2 GLN B 56 26.262 7.208 3.303 1.00 1.27 N ATOM 0 H GLN B 56 21.410 7.426 4.334 1.00 0.56 H new ATOM 0 HA GLN B 56 23.122 7.996 2.124 1.00 0.60 H new ATOM 0 HB2 GLN B 56 23.366 6.426 4.231 1.00 0.65 H new ATOM 0 HB3 GLN B 56 22.532 5.249 3.235 1.00 0.65 H new ATOM 0 HG2 GLN B 56 24.464 4.717 2.250 1.00 0.80 H new ATOM 0 HG3 GLN B 56 24.589 6.344 1.610 1.00 0.80 H new ATOM 0 HE21 GLN B 56 25.909 7.886 2.627 1.00 1.27 H new ATOM 0 HE22 GLN B 56 27.069 7.438 3.882 1.00 1.27 H new ATOM 2306 N PHE B 57 20.416 6.203 1.624 1.00 0.50 N ATOM 2307 CA PHE B 57 19.537 5.640 0.606 1.00 0.49 C ATOM 2308 C PHE B 57 19.020 6.747 -0.305 1.00 0.47 C ATOM 2309 O PHE B 57 19.034 6.619 -1.532 1.00 0.49 O ATOM 2310 CB PHE B 57 18.365 4.905 1.269 1.00 0.48 C ATOM 2311 CG PHE B 57 17.497 4.141 0.311 1.00 0.50 C ATOM 2312 CD1 PHE B 57 18.057 3.279 -0.619 1.00 0.56 C ATOM 2313 CD2 PHE B 57 16.119 4.282 0.344 1.00 0.53 C ATOM 2314 CE1 PHE B 57 17.259 2.575 -1.498 1.00 0.64 C ATOM 2315 CE2 PHE B 57 15.316 3.578 -0.534 1.00 0.59 C ATOM 2316 CZ PHE B 57 15.886 2.725 -1.456 1.00 0.64 C ATOM 0 H PHE B 57 20.033 6.174 2.569 1.00 0.50 H new ATOM 0 HA PHE B 57 20.101 4.926 0.006 1.00 0.49 H new ATOM 0 HB2 PHE B 57 18.759 4.215 2.015 1.00 0.48 H new ATOM 0 HB3 PHE B 57 17.749 5.631 1.800 1.00 0.48 H new ATOM 0 HD1 PHE B 57 19.129 3.157 -0.656 1.00 0.56 H new ATOM 0 HD2 PHE B 57 15.667 4.949 1.063 1.00 0.53 H new ATOM 0 HE1 PHE B 57 17.708 1.907 -2.218 1.00 0.64 H new ATOM 0 HE2 PHE B 57 14.243 3.696 -0.498 1.00 0.59 H new ATOM 0 HZ PHE B 57 15.260 2.175 -2.144 1.00 0.64 H new ATOM 2326 N LYS B 58 18.582 7.840 0.309 1.00 0.47 N ATOM 2327 CA LYS B 58 18.066 8.987 -0.429 1.00 0.48 C ATOM 2328 C LYS B 58 19.127 9.533 -1.371 1.00 0.49 C ATOM 2329 O LYS B 58 18.853 9.804 -2.538 1.00 0.53 O ATOM 2330 CB LYS B 58 17.611 10.084 0.535 1.00 0.53 C ATOM 2331 CG LYS B 58 16.438 9.677 1.403 1.00 0.62 C ATOM 2332 CD LYS B 58 16.093 10.758 2.411 1.00 0.70 C ATOM 2333 CE LYS B 58 15.684 12.055 1.724 1.00 0.77 C ATOM 2334 NZ LYS B 58 14.961 12.968 2.645 1.00 1.01 N ATOM 0 H LYS B 58 18.574 7.956 1.322 1.00 0.47 H new ATOM 0 HA LYS B 58 17.209 8.658 -1.016 1.00 0.48 H new ATOM 0 HB2 LYS B 58 18.447 10.363 1.176 1.00 0.53 H new ATOM 0 HB3 LYS B 58 17.339 10.970 -0.038 1.00 0.53 H new ATOM 0 HG2 LYS B 58 15.571 9.474 0.774 1.00 0.62 H new ATOM 0 HG3 LYS B 58 16.675 8.751 1.927 1.00 0.62 H new ATOM 0 HD2 LYS B 58 15.281 10.413 3.052 1.00 0.70 H new ATOM 0 HD3 LYS B 58 16.952 10.942 3.056 1.00 0.70 H new ATOM 0 HE2 LYS B 58 16.572 12.557 1.339 1.00 0.77 H new ATOM 0 HE3 LYS B 58 15.050 11.827 0.867 1.00 0.77 H new ATOM 0 HZ1 LYS B 58 14.895 13.913 2.216 1.00 1.01 H new ATOM 0 HZ2 LYS B 58 14.004 12.599 2.819 1.00 1.01 H new ATOM 0 HZ3 LYS B 58 15.477 13.032 3.546 1.00 1.01 H new ATOM 2348 N GLU B 59 20.352 9.645 -0.860 1.00 0.51 N ATOM 2349 CA GLU B 59 21.477 10.160 -1.637 1.00 0.56 C ATOM 2350 C GLU B 59 21.798 9.258 -2.826 1.00 0.57 C ATOM 2351 O GLU B 59 22.423 9.690 -3.796 1.00 0.65 O ATOM 2352 CB GLU B 59 22.711 10.295 -0.747 1.00 0.63 C ATOM 2353 CG GLU B 59 23.266 11.707 -0.684 1.00 1.06 C ATOM 2354 CD GLU B 59 24.446 11.822 0.256 1.00 0.97 C ATOM 2355 OE1 GLU B 59 25.549 11.357 -0.107 1.00 1.30 O ATOM 2356 OE2 GLU B 59 24.281 12.378 1.366 1.00 1.14 O ATOM 0 H GLU B 59 20.591 9.384 0.096 1.00 0.51 H new ATOM 0 HA GLU B 59 21.193 11.140 -2.021 1.00 0.56 H new ATOM 0 HB2 GLU B 59 22.458 9.968 0.262 1.00 0.63 H new ATOM 0 HB3 GLU B 59 23.488 9.625 -1.114 1.00 0.63 H new ATOM 0 HG2 GLU B 59 23.569 12.020 -1.683 1.00 1.06 H new ATOM 0 HG3 GLU B 59 22.480 12.389 -0.361 1.00 1.06 H new ATOM 2363 N ALA B 60 21.383 8.000 -2.744 1.00 0.55 N ATOM 2364 CA ALA B 60 21.620 7.051 -3.815 1.00 0.57 C ATOM 2365 C ALA B 60 20.575 7.223 -4.908 1.00 0.56 C ATOM 2366 O ALA B 60 20.903 7.271 -6.092 1.00 0.59 O ATOM 2367 CB ALA B 60 21.605 5.627 -3.276 1.00 0.59 C ATOM 0 H ALA B 60 20.880 7.616 -1.944 1.00 0.55 H new ATOM 0 HA ALA B 60 22.604 7.243 -4.243 1.00 0.57 H new ATOM 0 HB1 ALA B 60 21.784 4.927 -4.092 1.00 0.59 H new ATOM 0 HB2 ALA B 60 22.385 5.515 -2.523 1.00 0.59 H new ATOM 0 HB3 ALA B 60 20.634 5.419 -2.826 1.00 0.59 H new ATOM 2373 N ILE B 61 19.318 7.347 -4.498 1.00 0.52 N ATOM 2374 CA ILE B 61 18.218 7.507 -5.440 1.00 0.52 C ATOM 2375 C ILE B 61 18.335 8.824 -6.209 1.00 0.55 C ATOM 2376 O ILE B 61 18.075 8.870 -7.411 1.00 0.59 O ATOM 2377 CB ILE B 61 16.842 7.451 -4.741 1.00 0.50 C ATOM 2378 CG1 ILE B 61 16.754 6.230 -3.822 1.00 0.51 C ATOM 2379 CG2 ILE B 61 15.718 7.420 -5.777 1.00 0.52 C ATOM 2380 CD1 ILE B 61 15.442 6.130 -3.075 1.00 0.56 C ATOM 0 H ILE B 61 19.036 7.340 -3.518 1.00 0.52 H new ATOM 0 HA ILE B 61 18.288 6.672 -6.137 1.00 0.52 H new ATOM 0 HB ILE B 61 16.729 8.348 -4.133 1.00 0.50 H new ATOM 0 HG12 ILE B 61 16.894 5.327 -4.416 1.00 0.51 H new ATOM 0 HG13 ILE B 61 17.571 6.268 -3.102 1.00 0.51 H new ATOM 0 HG21 ILE B 61 14.755 7.381 -5.268 1.00 0.52 H new ATOM 0 HG22 ILE B 61 15.766 8.318 -6.393 1.00 0.52 H new ATOM 0 HG23 ILE B 61 15.830 6.539 -6.409 1.00 0.52 H new ATOM 0 HD11 ILE B 61 15.450 5.242 -2.443 1.00 0.56 H new ATOM 0 HD12 ILE B 61 15.309 7.016 -2.454 1.00 0.56 H new ATOM 0 HD13 ILE B 61 14.621 6.060 -3.789 1.00 0.56 H new ATOM 2392 N SER B 62 18.747 9.885 -5.521 1.00 0.55 N ATOM 2393 CA SER B 62 18.893 11.193 -6.153 1.00 0.59 C ATOM 2394 C SER B 62 20.051 11.201 -7.148 1.00 0.63 C ATOM 2395 O SER B 62 20.129 12.066 -8.022 1.00 0.70 O ATOM 2396 CB SER B 62 19.099 12.272 -5.089 1.00 0.61 C ATOM 2397 OG SER B 62 20.011 11.846 -4.093 1.00 0.70 O ATOM 0 H SER B 62 18.985 9.865 -4.529 1.00 0.55 H new ATOM 0 HA SER B 62 17.977 11.407 -6.704 1.00 0.59 H new ATOM 0 HB2 SER B 62 19.470 13.183 -5.559 1.00 0.61 H new ATOM 0 HB3 SER B 62 18.143 12.518 -4.628 1.00 0.61 H new ATOM 0 HG SER B 62 19.555 11.244 -3.468 1.00 0.70 H new ATOM 2403 N LYS B 63 20.945 10.231 -7.019 1.00 0.63 N ATOM 2404 CA LYS B 63 22.091 10.132 -7.906 1.00 0.69 C ATOM 2405 C LYS B 63 21.786 9.199 -9.077 1.00 0.71 C ATOM 2406 O LYS B 63 22.150 9.476 -10.220 1.00 0.82 O ATOM 2407 CB LYS B 63 23.312 9.623 -7.139 1.00 0.72 C ATOM 2408 CG LYS B 63 24.638 10.095 -7.715 1.00 0.84 C ATOM 2409 CD LYS B 63 24.841 11.588 -7.506 1.00 1.00 C ATOM 2410 CE LYS B 63 26.245 12.021 -7.890 1.00 1.04 C ATOM 2411 NZ LYS B 63 26.436 12.049 -9.361 1.00 1.28 N ATOM 0 H LYS B 63 20.897 9.502 -6.307 1.00 0.63 H new ATOM 0 HA LYS B 63 22.307 11.126 -8.299 1.00 0.69 H new ATOM 0 HB2 LYS B 63 23.240 9.950 -6.102 1.00 0.72 H new ATOM 0 HB3 LYS B 63 23.297 8.533 -7.132 1.00 0.72 H new ATOM 0 HG2 LYS B 63 25.455 9.547 -7.245 1.00 0.84 H new ATOM 0 HG3 LYS B 63 24.674 9.868 -8.781 1.00 0.84 H new ATOM 0 HD2 LYS B 63 24.114 12.141 -8.100 1.00 1.00 H new ATOM 0 HD3 LYS B 63 24.655 11.838 -6.461 1.00 1.00 H new ATOM 0 HE2 LYS B 63 26.444 13.011 -7.480 1.00 1.04 H new ATOM 0 HE3 LYS B 63 26.969 11.340 -7.443 1.00 1.04 H new ATOM 0 HZ1 LYS B 63 27.407 12.350 -9.579 1.00 1.28 H new ATOM 0 HZ2 LYS B 63 26.272 11.099 -9.751 1.00 1.28 H new ATOM 0 HZ3 LYS B 63 25.763 12.718 -9.786 1.00 1.28 H new ATOM 2425 N ARG B 64 21.113 8.092 -8.785 1.00 0.67 N ATOM 2426 CA ARG B 64 20.761 7.117 -9.813 1.00 0.70 C ATOM 2427 C ARG B 64 19.571 7.592 -10.643 1.00 0.70 C ATOM 2428 O ARG B 64 19.676 7.737 -11.860 1.00 0.75 O ATOM 2429 CB ARG B 64 20.444 5.760 -9.175 1.00 0.70 C ATOM 2430 CG ARG B 64 21.630 5.105 -8.475 1.00 0.72 C ATOM 2431 CD ARG B 64 22.644 4.548 -9.466 1.00 0.81 C ATOM 2432 NE ARG B 64 23.510 5.589 -10.023 1.00 0.84 N ATOM 2433 CZ ARG B 64 24.682 5.947 -9.496 1.00 0.95 C ATOM 2434 NH1 ARG B 64 25.139 5.357 -8.396 1.00 1.05 N ATOM 2435 NH2 ARG B 64 25.400 6.901 -10.069 1.00 1.07 N ATOM 0 H ARG B 64 20.800 7.846 -7.846 1.00 0.67 H new ATOM 0 HA ARG B 64 21.619 7.009 -10.477 1.00 0.70 H new ATOM 0 HB2 ARG B 64 19.637 5.890 -8.453 1.00 0.70 H new ATOM 0 HB3 ARG B 64 20.075 5.085 -9.948 1.00 0.70 H new ATOM 0 HG2 ARG B 64 22.118 5.835 -7.830 1.00 0.72 H new ATOM 0 HG3 ARG B 64 21.272 4.301 -7.832 1.00 0.72 H new ATOM 0 HD2 ARG B 64 23.257 3.796 -8.970 1.00 0.81 H new ATOM 0 HD3 ARG B 64 22.117 4.045 -10.277 1.00 0.81 H new ATOM 0 HE ARG B 64 23.198 6.070 -10.866 1.00 0.84 H new ATOM 0 HH11 ARG B 64 24.592 4.623 -7.946 1.00 1.05 H new ATOM 0 HH12 ARG B 64 26.037 5.639 -8.002 1.00 1.05 H new ATOM 0 HH21 ARG B 64 25.057 7.361 -10.912 1.00 1.07 H new ATOM 0 HH22 ARG B 64 26.296 7.176 -9.667 1.00 1.07 H new ATOM 2449 N PHE B 65 18.448 7.843 -9.978 1.00 0.67 N ATOM 2450 CA PHE B 65 17.240 8.299 -10.659 1.00 0.68 C ATOM 2451 C PHE B 65 17.398 9.747 -11.104 1.00 0.70 C ATOM 2452 O PHE B 65 16.931 10.128 -12.178 1.00 0.75 O ATOM 2453 CB PHE B 65 16.022 8.174 -9.739 1.00 0.66 C ATOM 2454 CG PHE B 65 15.155 6.982 -10.022 1.00 0.68 C ATOM 2455 CD1 PHE B 65 14.143 7.055 -10.965 1.00 0.82 C ATOM 2456 CD2 PHE B 65 15.341 5.793 -9.335 1.00 0.88 C ATOM 2457 CE1 PHE B 65 13.332 5.968 -11.222 1.00 0.97 C ATOM 2458 CE2 PHE B 65 14.533 4.698 -9.588 1.00 1.02 C ATOM 2459 CZ PHE B 65 13.527 4.787 -10.533 1.00 1.00 C ATOM 0 H PHE B 65 18.349 7.739 -8.968 1.00 0.67 H new ATOM 0 HA PHE B 65 17.086 7.669 -11.535 1.00 0.68 H new ATOM 0 HB2 PHE B 65 16.365 8.122 -8.706 1.00 0.66 H new ATOM 0 HB3 PHE B 65 15.419 9.077 -9.829 1.00 0.66 H new ATOM 0 HD1 PHE B 65 13.986 7.976 -11.507 1.00 0.82 H new ATOM 0 HD2 PHE B 65 16.124 5.720 -8.595 1.00 0.88 H new ATOM 0 HE1 PHE B 65 12.547 6.041 -11.960 1.00 0.97 H new ATOM 0 HE2 PHE B 65 14.688 3.775 -9.048 1.00 1.02 H new ATOM 0 HZ PHE B 65 12.895 3.934 -10.732 1.00 1.00 H new ATOM 2469 N LYS B 66 18.071 10.533 -10.262 1.00 0.68 N ATOM 2470 CA LYS B 66 18.316 11.950 -10.522 1.00 0.71 C ATOM 2471 C LYS B 66 17.008 12.738 -10.536 1.00 0.70 C ATOM 2472 O LYS B 66 16.348 12.870 -11.572 1.00 0.83 O ATOM 2473 CB LYS B 66 19.084 12.144 -11.832 1.00 0.79 C ATOM 2474 CG LYS B 66 19.704 13.526 -11.975 1.00 0.93 C ATOM 2475 CD LYS B 66 20.547 13.638 -13.237 1.00 1.05 C ATOM 2476 CE LYS B 66 19.691 13.553 -14.490 1.00 1.07 C ATOM 2477 NZ LYS B 66 20.499 13.730 -15.723 1.00 1.27 N ATOM 0 H LYS B 66 18.462 10.203 -9.379 1.00 0.68 H new ATOM 0 HA LYS B 66 18.933 12.336 -9.711 1.00 0.71 H new ATOM 0 HB2 LYS B 66 19.871 11.393 -11.896 1.00 0.79 H new ATOM 0 HB3 LYS B 66 18.408 11.970 -12.669 1.00 0.79 H new ATOM 0 HG2 LYS B 66 18.915 14.278 -11.997 1.00 0.93 H new ATOM 0 HG3 LYS B 66 20.323 13.739 -11.104 1.00 0.93 H new ATOM 0 HD2 LYS B 66 21.090 14.583 -13.230 1.00 1.05 H new ATOM 0 HD3 LYS B 66 21.292 12.842 -13.250 1.00 1.05 H new ATOM 0 HE2 LYS B 66 19.187 12.587 -14.521 1.00 1.07 H new ATOM 0 HE3 LYS B 66 18.914 14.317 -14.452 1.00 1.07 H new ATOM 0 HZ1 LYS B 66 19.880 13.666 -16.556 1.00 1.27 H new ATOM 0 HZ2 LYS B 66 20.960 14.662 -15.705 1.00 1.27 H new ATOM 0 HZ3 LYS B 66 21.224 12.986 -15.772 1.00 1.27 H new ATOM 2491 N SER B 67 16.639 13.246 -9.370 1.00 0.66 N ATOM 2492 CA SER B 67 15.424 14.030 -9.208 1.00 0.68 C ATOM 2493 C SER B 67 15.610 15.063 -8.097 1.00 0.69 C ATOM 2494 O SER B 67 15.899 16.228 -8.363 1.00 0.90 O ATOM 2495 CB SER B 67 14.230 13.118 -8.892 1.00 0.68 C ATOM 2496 OG SER B 67 13.492 12.803 -10.061 1.00 1.34 O ATOM 0 H SER B 67 17.173 13.126 -8.509 1.00 0.66 H new ATOM 0 HA SER B 67 15.220 14.551 -10.144 1.00 0.68 H new ATOM 0 HB2 SER B 67 14.586 12.199 -8.427 1.00 0.68 H new ATOM 0 HB3 SER B 67 13.577 13.609 -8.170 1.00 0.68 H new ATOM 0 HG SER B 67 14.100 12.751 -10.828 1.00 1.34 H new ATOM 2502 N GLN B 68 15.462 14.618 -6.855 1.00 0.59 N ATOM 2503 CA GLN B 68 15.609 15.480 -5.692 1.00 0.59 C ATOM 2504 C GLN B 68 16.118 14.653 -4.523 1.00 0.54 C ATOM 2505 O GLN B 68 16.127 13.422 -4.591 1.00 0.52 O ATOM 2506 CB GLN B 68 14.272 16.143 -5.337 1.00 0.64 C ATOM 2507 CG GLN B 68 14.029 17.452 -6.074 1.00 0.79 C ATOM 2508 CD GLN B 68 12.585 17.620 -6.500 1.00 0.85 C ATOM 2509 OE1 GLN B 68 11.894 16.644 -6.789 1.00 1.14 O ATOM 2510 NE2 GLN B 68 12.120 18.858 -6.545 1.00 1.09 N ATOM 0 H GLN B 68 15.237 13.650 -6.627 1.00 0.59 H new ATOM 0 HA GLN B 68 16.325 16.271 -5.918 1.00 0.59 H new ATOM 0 HB2 GLN B 68 13.461 15.451 -5.564 1.00 0.64 H new ATOM 0 HB3 GLN B 68 14.241 16.329 -4.263 1.00 0.64 H new ATOM 0 HG2 GLN B 68 14.314 18.285 -5.431 1.00 0.79 H new ATOM 0 HG3 GLN B 68 14.671 17.494 -6.954 1.00 0.79 H new ATOM 0 HE21 GLN B 68 12.726 19.640 -6.297 1.00 1.09 H new ATOM 0 HE22 GLN B 68 11.155 19.030 -6.827 1.00 1.09 H new ATOM 2519 N THR B 69 16.554 15.318 -3.466 1.00 0.56 N ATOM 2520 CA THR B 69 17.065 14.620 -2.299 1.00 0.56 C ATOM 2521 C THR B 69 16.259 14.957 -1.048 1.00 0.54 C ATOM 2522 O THR B 69 15.662 14.079 -0.434 1.00 0.55 O ATOM 2523 CB THR B 69 18.546 14.956 -2.054 1.00 0.63 C ATOM 2524 OG1 THR B 69 19.255 14.961 -3.298 1.00 0.74 O ATOM 2525 CG2 THR B 69 19.185 13.949 -1.110 1.00 0.70 C ATOM 0 H THR B 69 16.564 16.335 -3.392 1.00 0.56 H new ATOM 0 HA THR B 69 16.969 13.554 -2.503 1.00 0.56 H new ATOM 0 HB THR B 69 18.599 15.943 -1.595 1.00 0.63 H new ATOM 0 HG1 THR B 69 20.197 15.177 -3.137 1.00 0.74 H new ATOM 0 HG21 THR B 69 20.232 14.210 -0.954 1.00 0.70 H new ATOM 0 HG22 THR B 69 18.661 13.963 -0.154 1.00 0.70 H new ATOM 0 HG23 THR B 69 19.121 12.951 -1.544 1.00 0.70 H new ATOM 2533 N ASP B 70 16.227 16.236 -0.687 1.00 0.56 N ATOM 2534 CA ASP B 70 15.504 16.681 0.506 1.00 0.58 C ATOM 2535 C ASP B 70 14.007 16.427 0.370 1.00 0.55 C ATOM 2536 O ASP B 70 13.348 15.999 1.315 1.00 0.57 O ATOM 2537 CB ASP B 70 15.752 18.174 0.757 1.00 0.66 C ATOM 2538 CG ASP B 70 15.148 18.664 2.063 1.00 0.76 C ATOM 2539 OD1 ASP B 70 15.807 18.517 3.118 1.00 0.99 O ATOM 2540 OD2 ASP B 70 14.027 19.214 2.042 1.00 0.95 O ATOM 0 H ASP B 70 16.692 16.984 -1.201 1.00 0.56 H new ATOM 0 HA ASP B 70 15.878 16.106 1.353 1.00 0.58 H new ATOM 0 HB2 ASP B 70 16.826 18.362 0.766 1.00 0.66 H new ATOM 0 HB3 ASP B 70 15.335 18.750 -0.069 1.00 0.66 H new ATOM 2545 N GLN B 71 13.486 16.671 -0.824 1.00 0.56 N ATOM 2546 CA GLN B 71 12.066 16.488 -1.091 1.00 0.58 C ATOM 2547 C GLN B 71 11.734 15.036 -1.430 1.00 0.54 C ATOM 2548 O GLN B 71 10.576 14.695 -1.634 1.00 0.66 O ATOM 2549 CB GLN B 71 11.619 17.406 -2.228 1.00 0.65 C ATOM 2550 CG GLN B 71 11.588 18.872 -1.840 1.00 0.83 C ATOM 2551 CD GLN B 71 11.317 19.781 -3.021 1.00 0.92 C ATOM 2552 OE1 GLN B 71 10.167 20.072 -3.352 1.00 1.13 O ATOM 2553 NE2 GLN B 71 12.378 20.240 -3.662 1.00 1.18 N ATOM 0 H GLN B 71 14.027 16.997 -1.625 1.00 0.56 H new ATOM 0 HA GLN B 71 11.525 16.749 -0.181 1.00 0.58 H new ATOM 0 HB2 GLN B 71 12.291 17.276 -3.076 1.00 0.65 H new ATOM 0 HB3 GLN B 71 10.626 17.104 -2.560 1.00 0.65 H new ATOM 0 HG2 GLN B 71 10.820 19.027 -1.083 1.00 0.83 H new ATOM 0 HG3 GLN B 71 12.541 19.145 -1.388 1.00 0.83 H new ATOM 0 HE21 GLN B 71 13.314 19.974 -3.355 1.00 1.18 H new ATOM 0 HE22 GLN B 71 12.261 20.860 -4.464 1.00 1.18 H new ATOM 2562 N LEU B 72 12.747 14.185 -1.469 1.00 0.51 N ATOM 2563 CA LEU B 72 12.542 12.778 -1.786 1.00 0.49 C ATOM 2564 C LEU B 72 12.052 12.028 -0.552 1.00 0.43 C ATOM 2565 O LEU B 72 12.842 11.664 0.320 1.00 0.51 O ATOM 2566 CB LEU B 72 13.841 12.160 -2.300 1.00 0.57 C ATOM 2567 CG LEU B 72 13.667 11.076 -3.364 1.00 0.72 C ATOM 2568 CD1 LEU B 72 13.269 11.692 -4.697 1.00 0.88 C ATOM 2569 CD2 LEU B 72 14.943 10.266 -3.510 1.00 1.00 C ATOM 0 H LEU B 72 13.717 14.442 -1.286 1.00 0.51 H new ATOM 0 HA LEU B 72 11.785 12.700 -2.566 1.00 0.49 H new ATOM 0 HB2 LEU B 72 14.465 12.954 -2.711 1.00 0.57 H new ATOM 0 HB3 LEU B 72 14.382 11.734 -1.455 1.00 0.57 H new ATOM 0 HG LEU B 72 12.868 10.406 -3.045 1.00 0.72 H new ATOM 0 HD11 LEU B 72 13.150 10.904 -5.441 1.00 0.88 H new ATOM 0 HD12 LEU B 72 12.327 12.229 -4.583 1.00 0.88 H new ATOM 0 HD13 LEU B 72 14.044 12.385 -5.023 1.00 0.88 H new ATOM 0 HD21 LEU B 72 14.802 9.499 -4.271 1.00 1.00 H new ATOM 0 HD22 LEU B 72 15.760 10.924 -3.805 1.00 1.00 H new ATOM 0 HD23 LEU B 72 15.184 9.793 -2.558 1.00 1.00 H new ATOM 2581 N VAL B 73 10.749 11.811 -0.472 1.00 0.37 N ATOM 2582 CA VAL B 73 10.167 11.118 0.669 1.00 0.35 C ATOM 2583 C VAL B 73 9.661 9.731 0.284 1.00 0.30 C ATOM 2584 O VAL B 73 8.925 9.576 -0.693 1.00 0.31 O ATOM 2585 CB VAL B 73 9.003 11.921 1.286 1.00 0.42 C ATOM 2586 CG1 VAL B 73 8.610 11.348 2.641 1.00 0.46 C ATOM 2587 CG2 VAL B 73 9.371 13.391 1.412 1.00 0.55 C ATOM 0 H VAL B 73 10.075 12.103 -1.180 1.00 0.37 H new ATOM 0 HA VAL B 73 10.963 11.017 1.407 1.00 0.35 H new ATOM 0 HB VAL B 73 8.144 11.840 0.620 1.00 0.42 H new ATOM 0 HG11 VAL B 73 7.788 11.930 3.057 1.00 0.46 H new ATOM 0 HG12 VAL B 73 8.296 10.311 2.520 1.00 0.46 H new ATOM 0 HG13 VAL B 73 9.464 11.392 3.316 1.00 0.46 H new ATOM 0 HG21 VAL B 73 8.536 13.939 1.849 1.00 0.55 H new ATOM 0 HG22 VAL B 73 10.247 13.493 2.052 1.00 0.55 H new ATOM 0 HG23 VAL B 73 9.594 13.796 0.425 1.00 0.55 H new ATOM 2597 N LEU B 74 10.061 8.729 1.059 1.00 0.30 N ATOM 2598 CA LEU B 74 9.638 7.356 0.820 1.00 0.29 C ATOM 2599 C LEU B 74 8.423 7.046 1.687 1.00 0.28 C ATOM 2600 O LEU B 74 8.421 7.323 2.884 1.00 0.36 O ATOM 2601 CB LEU B 74 10.772 6.366 1.127 1.00 0.33 C ATOM 2602 CG LEU B 74 11.906 6.301 0.092 1.00 0.42 C ATOM 2603 CD1 LEU B 74 11.345 6.241 -1.323 1.00 0.57 C ATOM 2604 CD2 LEU B 74 12.855 7.481 0.244 1.00 0.64 C ATOM 0 H LEU B 74 10.680 8.844 1.861 1.00 0.30 H new ATOM 0 HA LEU B 74 9.377 7.249 -0.233 1.00 0.29 H new ATOM 0 HB2 LEU B 74 11.203 6.626 2.094 1.00 0.33 H new ATOM 0 HB3 LEU B 74 10.341 5.370 1.228 1.00 0.33 H new ATOM 0 HG LEU B 74 12.472 5.388 0.274 1.00 0.42 H new ATOM 0 HD11 LEU B 74 12.166 6.196 -2.038 1.00 0.57 H new ATOM 0 HD12 LEU B 74 10.721 5.354 -1.430 1.00 0.57 H new ATOM 0 HD13 LEU B 74 10.746 7.131 -1.515 1.00 0.57 H new ATOM 0 HD21 LEU B 74 13.647 7.409 -0.501 1.00 0.64 H new ATOM 0 HD22 LEU B 74 12.305 8.411 0.100 1.00 0.64 H new ATOM 0 HD23 LEU B 74 13.293 7.469 1.242 1.00 0.64 H new ATOM 2616 N ILE B 75 7.389 6.488 1.083 1.00 0.29 N ATOM 2617 CA ILE B 75 6.167 6.168 1.809 1.00 0.33 C ATOM 2618 C ILE B 75 5.979 4.666 1.958 1.00 0.31 C ATOM 2619 O ILE B 75 6.168 3.912 1.006 1.00 0.36 O ATOM 2620 CB ILE B 75 4.922 6.744 1.097 1.00 0.43 C ATOM 2621 CG1 ILE B 75 5.130 8.218 0.729 1.00 0.47 C ATOM 2622 CG2 ILE B 75 3.686 6.573 1.968 1.00 0.54 C ATOM 2623 CD1 ILE B 75 5.481 9.097 1.906 1.00 0.74 C ATOM 0 H ILE B 75 7.368 6.246 0.092 1.00 0.29 H new ATOM 0 HA ILE B 75 6.271 6.621 2.795 1.00 0.33 H new ATOM 0 HB ILE B 75 4.772 6.188 0.171 1.00 0.43 H new ATOM 0 HG12 ILE B 75 5.924 8.289 -0.015 1.00 0.47 H new ATOM 0 HG13 ILE B 75 4.221 8.598 0.262 1.00 0.47 H new ATOM 0 HG21 ILE B 75 2.818 6.984 1.452 1.00 0.54 H new ATOM 0 HG22 ILE B 75 3.523 5.513 2.165 1.00 0.54 H new ATOM 0 HG23 ILE B 75 3.830 7.099 2.912 1.00 0.54 H new ATOM 0 HD11 ILE B 75 5.612 10.124 1.566 1.00 0.74 H new ATOM 0 HD12 ILE B 75 4.678 9.058 2.642 1.00 0.74 H new ATOM 0 HD13 ILE B 75 6.407 8.744 2.361 1.00 0.74 H new ATOM 2635 N PHE B 76 5.607 4.243 3.153 1.00 0.31 N ATOM 2636 CA PHE B 76 5.363 2.835 3.425 1.00 0.35 C ATOM 2637 C PHE B 76 3.924 2.638 3.903 1.00 0.31 C ATOM 2638 O PHE B 76 3.681 2.111 4.994 1.00 0.40 O ATOM 2639 CB PHE B 76 6.363 2.299 4.457 1.00 0.48 C ATOM 2640 CG PHE B 76 6.281 0.811 4.662 1.00 0.55 C ATOM 2641 CD1 PHE B 76 6.360 -0.057 3.583 1.00 0.65 C ATOM 2642 CD2 PHE B 76 6.116 0.282 5.933 1.00 0.62 C ATOM 2643 CE1 PHE B 76 6.279 -1.422 3.771 1.00 0.77 C ATOM 2644 CE2 PHE B 76 6.035 -1.082 6.124 1.00 0.72 C ATOM 2645 CZ PHE B 76 6.114 -1.936 5.042 1.00 0.78 C ATOM 0 H PHE B 76 5.466 4.857 3.955 1.00 0.31 H new ATOM 0 HA PHE B 76 5.503 2.270 2.503 1.00 0.35 H new ATOM 0 HB2 PHE B 76 7.373 2.558 4.140 1.00 0.48 H new ATOM 0 HB3 PHE B 76 6.190 2.798 5.410 1.00 0.48 H new ATOM 0 HD1 PHE B 76 6.486 0.339 2.586 1.00 0.65 H new ATOM 0 HD2 PHE B 76 6.050 0.945 6.783 1.00 0.62 H new ATOM 0 HE1 PHE B 76 6.345 -2.088 2.924 1.00 0.77 H new ATOM 0 HE2 PHE B 76 5.910 -1.482 7.120 1.00 0.72 H new ATOM 0 HZ PHE B 76 6.047 -3.004 5.189 1.00 0.78 H new ATOM 2655 N ALA B 77 2.978 3.095 3.081 1.00 0.40 N ATOM 2656 CA ALA B 77 1.550 2.980 3.373 1.00 0.48 C ATOM 2657 C ALA B 77 1.170 3.753 4.634 1.00 0.41 C ATOM 2658 O ALA B 77 1.146 3.202 5.734 1.00 0.44 O ATOM 2659 CB ALA B 77 1.141 1.518 3.490 1.00 0.62 C ATOM 0 H ALA B 77 3.181 3.555 2.194 1.00 0.40 H new ATOM 0 HA ALA B 77 1.006 3.425 2.540 1.00 0.48 H new ATOM 0 HB1 ALA B 77 0.075 1.455 3.708 1.00 0.62 H new ATOM 0 HB2 ALA B 77 1.351 1.005 2.551 1.00 0.62 H new ATOM 0 HB3 ALA B 77 1.704 1.046 4.295 1.00 0.62 H new ATOM 2665 N GLY B 78 0.871 5.036 4.463 1.00 0.46 N ATOM 2666 CA GLY B 78 0.498 5.867 5.591 1.00 0.54 C ATOM 2667 C GLY B 78 1.671 6.224 6.483 1.00 0.50 C ATOM 2668 O GLY B 78 1.481 6.608 7.638 1.00 0.63 O ATOM 0 H GLY B 78 0.880 5.515 3.563 1.00 0.46 H new ATOM 0 HA2 GLY B 78 0.038 6.784 5.222 1.00 0.54 H new ATOM 0 HA3 GLY B 78 -0.256 5.348 6.183 1.00 0.54 H new ATOM 2672 N LYS B 79 2.879 6.109 5.951 1.00 0.42 N ATOM 2673 CA LYS B 79 4.085 6.415 6.715 1.00 0.43 C ATOM 2674 C LYS B 79 5.096 7.182 5.866 1.00 0.39 C ATOM 2675 O LYS B 79 5.416 6.764 4.754 1.00 0.43 O ATOM 2676 CB LYS B 79 4.720 5.120 7.232 1.00 0.50 C ATOM 2677 CG LYS B 79 4.422 4.826 8.694 1.00 0.72 C ATOM 2678 CD LYS B 79 3.178 5.561 9.161 1.00 1.16 C ATOM 2679 CE LYS B 79 2.661 5.018 10.488 1.00 1.57 C ATOM 2680 NZ LYS B 79 1.355 5.623 10.866 1.00 2.02 N ATOM 0 H LYS B 79 3.053 5.806 4.993 1.00 0.42 H new ATOM 0 HA LYS B 79 3.800 7.043 7.559 1.00 0.43 H new ATOM 0 HB2 LYS B 79 4.366 4.287 6.625 1.00 0.50 H new ATOM 0 HB3 LYS B 79 5.800 5.178 7.096 1.00 0.50 H new ATOM 0 HG2 LYS B 79 4.286 3.753 8.831 1.00 0.72 H new ATOM 0 HG3 LYS B 79 5.273 5.121 9.308 1.00 0.72 H new ATOM 0 HD2 LYS B 79 3.402 6.623 9.266 1.00 1.16 H new ATOM 0 HD3 LYS B 79 2.399 5.472 8.404 1.00 1.16 H new ATOM 0 HE2 LYS B 79 2.553 3.936 10.420 1.00 1.57 H new ATOM 0 HE3 LYS B 79 3.393 5.216 11.271 1.00 1.57 H new ATOM 0 HZ1 LYS B 79 1.356 5.844 11.882 1.00 2.02 H new ATOM 0 HZ2 LYS B 79 1.206 6.497 10.321 1.00 2.02 H new ATOM 0 HZ3 LYS B 79 0.588 4.951 10.659 1.00 2.02 H new ATOM 2694 N ILE B 80 5.588 8.301 6.394 1.00 0.37 N ATOM 2695 CA ILE B 80 6.575 9.119 5.689 1.00 0.39 C ATOM 2696 C ILE B 80 7.979 8.844 6.224 1.00 0.39 C ATOM 2697 O ILE B 80 8.354 9.313 7.295 1.00 0.61 O ATOM 2698 CB ILE B 80 6.271 10.636 5.804 1.00 0.52 C ATOM 2699 CG1 ILE B 80 5.863 11.006 7.232 1.00 0.67 C ATOM 2700 CG2 ILE B 80 5.180 11.038 4.821 1.00 0.97 C ATOM 2701 CD1 ILE B 80 5.940 12.488 7.524 1.00 1.18 C ATOM 0 H ILE B 80 5.319 8.663 7.309 1.00 0.37 H new ATOM 0 HA ILE B 80 6.519 8.842 4.636 1.00 0.39 H new ATOM 0 HB ILE B 80 7.182 11.182 5.557 1.00 0.52 H new ATOM 0 HG12 ILE B 80 4.844 10.663 7.409 1.00 0.67 H new ATOM 0 HG13 ILE B 80 6.505 10.473 7.933 1.00 0.67 H new ATOM 0 HG21 ILE B 80 4.980 12.105 4.916 1.00 0.97 H new ATOM 0 HG22 ILE B 80 5.507 10.819 3.805 1.00 0.97 H new ATOM 0 HG23 ILE B 80 4.270 10.478 5.038 1.00 0.97 H new ATOM 0 HD11 ILE B 80 5.636 12.672 8.554 1.00 1.18 H new ATOM 0 HD12 ILE B 80 6.963 12.835 7.380 1.00 1.18 H new ATOM 0 HD13 ILE B 80 5.276 13.027 6.848 1.00 1.18 H new ATOM 2713 N LEU B 81 8.751 8.084 5.470 1.00 0.30 N ATOM 2714 CA LEU B 81 10.107 7.736 5.873 1.00 0.34 C ATOM 2715 C LEU B 81 11.073 8.874 5.554 1.00 0.36 C ATOM 2716 O LEU B 81 11.058 9.426 4.450 1.00 0.46 O ATOM 2717 CB LEU B 81 10.559 6.448 5.178 1.00 0.44 C ATOM 2718 CG LEU B 81 10.093 5.144 5.839 1.00 0.57 C ATOM 2719 CD1 LEU B 81 8.593 4.949 5.682 1.00 1.01 C ATOM 2720 CD2 LEU B 81 10.845 3.962 5.253 1.00 0.78 C ATOM 0 H LEU B 81 8.464 7.693 4.572 1.00 0.30 H new ATOM 0 HA LEU B 81 10.110 7.571 6.950 1.00 0.34 H new ATOM 0 HB2 LEU B 81 10.197 6.464 4.150 1.00 0.44 H new ATOM 0 HB3 LEU B 81 11.648 6.443 5.132 1.00 0.44 H new ATOM 0 HG LEU B 81 10.310 5.210 6.905 1.00 0.57 H new ATOM 0 HD11 LEU B 81 8.295 4.016 6.161 1.00 1.01 H new ATOM 0 HD12 LEU B 81 8.067 5.781 6.150 1.00 1.01 H new ATOM 0 HD13 LEU B 81 8.340 4.909 4.622 1.00 1.01 H new ATOM 0 HD21 LEU B 81 10.506 3.042 5.730 1.00 0.78 H new ATOM 0 HD22 LEU B 81 10.656 3.906 4.181 1.00 0.78 H new ATOM 0 HD23 LEU B 81 11.914 4.088 5.427 1.00 0.78 H new ATOM 2732 N LYS B 82 11.909 9.219 6.526 1.00 0.39 N ATOM 2733 CA LYS B 82 12.873 10.299 6.361 1.00 0.47 C ATOM 2734 C LYS B 82 14.002 10.179 7.390 1.00 0.49 C ATOM 2735 O LYS B 82 14.437 9.077 7.720 1.00 0.63 O ATOM 2736 CB LYS B 82 12.165 11.654 6.496 1.00 0.54 C ATOM 2737 CG LYS B 82 12.825 12.770 5.694 1.00 0.94 C ATOM 2738 CD LYS B 82 12.115 14.097 5.882 1.00 1.01 C ATOM 2739 CE LYS B 82 10.724 14.084 5.273 1.00 1.22 C ATOM 2740 NZ LYS B 82 10.095 15.429 5.301 1.00 1.35 N ATOM 0 H LYS B 82 11.938 8.765 7.439 1.00 0.39 H new ATOM 0 HA LYS B 82 13.313 10.227 5.366 1.00 0.47 H new ATOM 0 HB2 LYS B 82 11.130 11.548 6.171 1.00 0.54 H new ATOM 0 HB3 LYS B 82 12.141 11.939 7.548 1.00 0.54 H new ATOM 0 HG2 LYS B 82 13.867 12.869 5.999 1.00 0.94 H new ATOM 0 HG3 LYS B 82 12.826 12.505 4.637 1.00 0.94 H new ATOM 0 HD2 LYS B 82 12.044 14.324 6.946 1.00 1.01 H new ATOM 0 HD3 LYS B 82 12.704 14.892 5.425 1.00 1.01 H new ATOM 0 HE2 LYS B 82 10.782 13.732 4.243 1.00 1.22 H new ATOM 0 HE3 LYS B 82 10.096 13.378 5.817 1.00 1.22 H new ATOM 0 HZ1 LYS B 82 9.147 15.378 4.876 1.00 1.35 H new ATOM 0 HZ2 LYS B 82 10.016 15.755 6.285 1.00 1.35 H new ATOM 0 HZ3 LYS B 82 10.681 16.097 4.761 1.00 1.35 H new ATOM 2754 N ASP B 83 14.456 11.318 7.908 1.00 0.60 N ATOM 2755 CA ASP B 83 15.538 11.355 8.890 1.00 0.68 C ATOM 2756 C ASP B 83 14.998 11.151 10.300 1.00 0.68 C ATOM 2757 O ASP B 83 15.724 11.299 11.285 1.00 0.89 O ATOM 2758 CB ASP B 83 16.283 12.694 8.814 1.00 0.88 C ATOM 2759 CG ASP B 83 15.493 13.845 9.414 1.00 1.20 C ATOM 2760 OD1 ASP B 83 14.271 13.928 9.169 1.00 1.56 O ATOM 2761 OD2 ASP B 83 16.093 14.678 10.132 1.00 1.52 O ATOM 0 H ASP B 83 14.087 12.236 7.661 1.00 0.60 H new ATOM 0 HA ASP B 83 16.229 10.545 8.658 1.00 0.68 H new ATOM 0 HB2 ASP B 83 17.236 12.604 9.335 1.00 0.88 H new ATOM 0 HB3 ASP B 83 16.509 12.920 7.772 1.00 0.88 H new ATOM 2766 N GLN B 84 13.724 10.808 10.390 1.00 0.60 N ATOM 2767 CA GLN B 84 13.080 10.591 11.676 1.00 0.67 C ATOM 2768 C GLN B 84 12.944 9.101 11.975 1.00 0.61 C ATOM 2769 O GLN B 84 12.503 8.711 13.057 1.00 0.81 O ATOM 2770 CB GLN B 84 11.698 11.252 11.692 1.00 0.77 C ATOM 2771 CG GLN B 84 11.732 12.756 11.478 1.00 0.93 C ATOM 2772 CD GLN B 84 10.346 13.368 11.389 1.00 1.13 C ATOM 2773 OE1 GLN B 84 9.384 12.852 11.958 1.00 1.32 O ATOM 2774 NE2 GLN B 84 10.230 14.482 10.683 1.00 1.28 N ATOM 0 H GLN B 84 13.113 10.673 9.585 1.00 0.60 H new ATOM 0 HA GLN B 84 13.704 11.042 12.447 1.00 0.67 H new ATOM 0 HB2 GLN B 84 11.080 10.799 10.917 1.00 0.77 H new ATOM 0 HB3 GLN B 84 11.217 11.042 12.647 1.00 0.77 H new ATOM 0 HG2 GLN B 84 12.279 13.223 12.297 1.00 0.93 H new ATOM 0 HG3 GLN B 84 12.281 12.976 10.562 1.00 0.93 H new ATOM 0 HE21 GLN B 84 11.048 14.883 10.224 1.00 1.28 H new ATOM 0 HE22 GLN B 84 9.322 14.940 10.598 1.00 1.28 H new ATOM 2783 N ASP B 85 13.331 8.270 11.021 1.00 0.52 N ATOM 2784 CA ASP B 85 13.223 6.827 11.186 1.00 0.51 C ATOM 2785 C ASP B 85 14.340 6.104 10.453 1.00 0.44 C ATOM 2786 O ASP B 85 15.200 6.732 9.836 1.00 0.48 O ATOM 2787 CB ASP B 85 11.870 6.340 10.665 1.00 0.61 C ATOM 2788 CG ASP B 85 11.738 6.506 9.165 1.00 0.68 C ATOM 2789 OD1 ASP B 85 11.533 7.652 8.708 1.00 0.76 O ATOM 2790 OD2 ASP B 85 11.840 5.492 8.441 1.00 0.86 O ATOM 0 H ASP B 85 13.722 8.567 10.127 1.00 0.52 H new ATOM 0 HA ASP B 85 13.308 6.604 12.250 1.00 0.51 H new ATOM 0 HB2 ASP B 85 11.740 5.289 10.925 1.00 0.61 H new ATOM 0 HB3 ASP B 85 11.072 6.892 11.161 1.00 0.61 H new ATOM 2795 N THR B 86 14.322 4.782 10.532 1.00 0.49 N ATOM 2796 CA THR B 86 15.317 3.960 9.874 1.00 0.47 C ATOM 2797 C THR B 86 14.632 2.954 8.950 1.00 0.42 C ATOM 2798 O THR B 86 13.793 2.167 9.391 1.00 0.41 O ATOM 2799 CB THR B 86 16.190 3.220 10.902 1.00 0.54 C ATOM 2800 OG1 THR B 86 16.328 4.021 12.087 1.00 0.67 O ATOM 2801 CG2 THR B 86 17.567 2.922 10.329 1.00 0.67 C ATOM 0 H THR B 86 13.620 4.255 11.052 1.00 0.49 H new ATOM 0 HA THR B 86 15.963 4.611 9.285 1.00 0.47 H new ATOM 0 HB THR B 86 15.704 2.276 11.149 1.00 0.54 H new ATOM 0 HG1 THR B 86 16.883 3.546 12.740 1.00 0.67 H new ATOM 0 HG21 THR B 86 18.166 2.399 11.074 1.00 0.67 H new ATOM 0 HG22 THR B 86 17.464 2.297 9.442 1.00 0.67 H new ATOM 0 HG23 THR B 86 18.059 3.857 10.060 1.00 0.67 H new ATOM 2809 N LEU B 87 14.991 2.998 7.669 1.00 0.43 N ATOM 2810 CA LEU B 87 14.415 2.116 6.652 1.00 0.42 C ATOM 2811 C LEU B 87 14.545 0.640 7.032 1.00 0.42 C ATOM 2812 O LEU B 87 13.614 -0.138 6.845 1.00 0.44 O ATOM 2813 CB LEU B 87 15.104 2.364 5.305 1.00 0.51 C ATOM 2814 CG LEU B 87 14.649 1.468 4.151 1.00 0.52 C ATOM 2815 CD1 LEU B 87 13.481 2.099 3.411 1.00 0.61 C ATOM 2816 CD2 LEU B 87 15.805 1.199 3.201 1.00 0.66 C ATOM 0 H LEU B 87 15.690 3.646 7.305 1.00 0.43 H new ATOM 0 HA LEU B 87 13.352 2.346 6.578 1.00 0.42 H new ATOM 0 HB2 LEU B 87 14.940 3.403 5.020 1.00 0.51 H new ATOM 0 HB3 LEU B 87 16.178 2.236 5.438 1.00 0.51 H new ATOM 0 HG LEU B 87 14.315 0.516 4.564 1.00 0.52 H new ATOM 0 HD11 LEU B 87 13.172 1.446 2.594 1.00 0.61 H new ATOM 0 HD12 LEU B 87 12.647 2.238 4.099 1.00 0.61 H new ATOM 0 HD13 LEU B 87 13.785 3.065 3.008 1.00 0.61 H new ATOM 0 HD21 LEU B 87 15.465 0.560 2.386 1.00 0.66 H new ATOM 0 HD22 LEU B 87 16.169 2.143 2.795 1.00 0.66 H new ATOM 0 HD23 LEU B 87 16.611 0.701 3.740 1.00 0.66 H new ATOM 2828 N ILE B 88 15.693 0.274 7.583 1.00 0.47 N ATOM 2829 CA ILE B 88 15.954 -1.114 7.967 1.00 0.53 C ATOM 2830 C ILE B 88 15.447 -1.442 9.372 1.00 0.54 C ATOM 2831 O ILE B 88 15.776 -2.492 9.930 1.00 0.66 O ATOM 2832 CB ILE B 88 17.464 -1.442 7.881 1.00 0.62 C ATOM 2833 CG1 ILE B 88 18.302 -0.393 8.627 1.00 0.65 C ATOM 2834 CG2 ILE B 88 17.904 -1.528 6.428 1.00 0.67 C ATOM 2835 CD1 ILE B 88 18.567 -0.736 10.079 1.00 0.91 C ATOM 0 H ILE B 88 16.462 0.916 7.776 1.00 0.47 H new ATOM 0 HA ILE B 88 15.403 -1.731 7.257 1.00 0.53 H new ATOM 0 HB ILE B 88 17.626 -2.408 8.359 1.00 0.62 H new ATOM 0 HG12 ILE B 88 19.256 -0.272 8.113 1.00 0.65 H new ATOM 0 HG13 ILE B 88 17.790 0.568 8.579 1.00 0.65 H new ATOM 0 HG21 ILE B 88 18.968 -1.759 6.383 1.00 0.67 H new ATOM 0 HG22 ILE B 88 17.341 -2.313 5.923 1.00 0.67 H new ATOM 0 HG23 ILE B 88 17.719 -0.574 5.935 1.00 0.67 H new ATOM 0 HD11 ILE B 88 19.164 0.053 10.536 1.00 0.91 H new ATOM 0 HD12 ILE B 88 17.619 -0.828 10.610 1.00 0.91 H new ATOM 0 HD13 ILE B 88 19.108 -1.680 10.137 1.00 0.91 H new ATOM 2847 N GLN B 89 14.646 -0.557 9.945 1.00 0.48 N ATOM 2848 CA GLN B 89 14.122 -0.777 11.285 1.00 0.53 C ATOM 2849 C GLN B 89 12.601 -0.906 11.279 1.00 0.52 C ATOM 2850 O GLN B 89 12.012 -1.369 12.257 1.00 0.71 O ATOM 2851 CB GLN B 89 14.556 0.362 12.214 1.00 0.57 C ATOM 2852 CG GLN B 89 14.303 0.088 13.690 1.00 0.69 C ATOM 2853 CD GLN B 89 14.953 -1.198 14.165 1.00 0.82 C ATOM 2854 OE1 GLN B 89 16.114 -1.203 14.577 1.00 0.96 O ATOM 2855 NE2 GLN B 89 14.210 -2.293 14.112 1.00 0.89 N ATOM 0 H GLN B 89 14.346 0.314 9.508 1.00 0.48 H new ATOM 0 HA GLN B 89 14.532 -1.717 11.655 1.00 0.53 H new ATOM 0 HB2 GLN B 89 15.619 0.552 12.067 1.00 0.57 H new ATOM 0 HB3 GLN B 89 14.028 1.272 11.928 1.00 0.57 H new ATOM 0 HG2 GLN B 89 14.682 0.922 14.281 1.00 0.69 H new ATOM 0 HG3 GLN B 89 13.229 0.035 13.867 1.00 0.69 H new ATOM 0 HE21 GLN B 89 13.253 -2.243 13.764 1.00 0.89 H new ATOM 0 HE22 GLN B 89 14.595 -3.186 14.420 1.00 0.89 H new ATOM 2864 N HIS B 90 11.967 -0.531 10.176 1.00 0.49 N ATOM 2865 CA HIS B 90 10.513 -0.608 10.093 1.00 0.51 C ATOM 2866 C HIS B 90 10.034 -0.680 8.644 1.00 0.50 C ATOM 2867 O HIS B 90 9.233 -1.551 8.297 1.00 0.75 O ATOM 2868 CB HIS B 90 9.882 0.602 10.788 1.00 0.59 C ATOM 2869 CG HIS B 90 8.420 0.439 11.071 1.00 0.72 C ATOM 2870 ND1 HIS B 90 7.459 1.289 10.569 1.00 0.96 N ATOM 2871 CD2 HIS B 90 7.758 -0.474 11.820 1.00 0.92 C ATOM 2872 CE1 HIS B 90 6.271 0.909 10.998 1.00 1.14 C ATOM 2873 NE2 HIS B 90 6.426 -0.158 11.758 1.00 1.10 N ATOM 0 H HIS B 90 12.427 -0.176 9.338 1.00 0.49 H new ATOM 0 HA HIS B 90 10.201 -1.523 10.596 1.00 0.51 H new ATOM 0 HB2 HIS B 90 10.406 0.785 11.726 1.00 0.59 H new ATOM 0 HB3 HIS B 90 10.026 1.484 10.164 1.00 0.59 H new ATOM 0 HD2 HIS B 90 8.197 -1.297 12.364 1.00 0.92 H new ATOM 0 HE1 HIS B 90 5.332 1.389 10.767 1.00 1.14 H new ATOM 0 HE2 HIS B 90 5.675 -0.666 12.225 1.00 1.10 H new ATOM 2882 N GLY B 91 10.531 0.242 7.820 1.00 0.45 N ATOM 2883 CA GLY B 91 10.142 0.311 6.417 1.00 0.46 C ATOM 2884 C GLY B 91 10.303 -0.997 5.663 1.00 0.45 C ATOM 2885 O GLY B 91 9.319 -1.643 5.315 1.00 0.64 O ATOM 0 H GLY B 91 11.206 0.952 8.104 1.00 0.45 H new ATOM 0 HA2 GLY B 91 9.101 0.628 6.355 1.00 0.46 H new ATOM 0 HA3 GLY B 91 10.738 1.078 5.923 1.00 0.46 H new ATOM 2889 N ILE B 92 11.538 -1.398 5.411 1.00 0.38 N ATOM 2890 CA ILE B 92 11.788 -2.628 4.675 1.00 0.39 C ATOM 2891 C ILE B 92 12.316 -3.715 5.595 1.00 0.41 C ATOM 2892 O ILE B 92 13.474 -3.687 6.013 1.00 0.46 O ATOM 2893 CB ILE B 92 12.790 -2.410 3.519 1.00 0.41 C ATOM 2894 CG1 ILE B 92 12.359 -1.226 2.643 1.00 0.40 C ATOM 2895 CG2 ILE B 92 12.919 -3.675 2.677 1.00 0.47 C ATOM 2896 CD1 ILE B 92 11.046 -1.441 1.916 1.00 0.43 C ATOM 0 H ILE B 92 12.377 -0.896 5.702 1.00 0.38 H new ATOM 0 HA ILE B 92 10.833 -2.942 4.254 1.00 0.39 H new ATOM 0 HB ILE B 92 13.764 -2.181 3.951 1.00 0.41 H new ATOM 0 HG12 ILE B 92 12.275 -0.337 3.268 1.00 0.40 H new ATOM 0 HG13 ILE B 92 13.140 -1.027 1.909 1.00 0.40 H new ATOM 0 HG21 ILE B 92 13.629 -3.503 1.868 1.00 0.47 H new ATOM 0 HG22 ILE B 92 13.274 -4.494 3.303 1.00 0.47 H new ATOM 0 HG23 ILE B 92 11.947 -3.934 2.258 1.00 0.47 H new ATOM 0 HD11 ILE B 92 10.812 -0.559 1.319 1.00 0.43 H new ATOM 0 HD12 ILE B 92 11.130 -2.310 1.263 1.00 0.43 H new ATOM 0 HD13 ILE B 92 10.251 -1.609 2.643 1.00 0.43 H new ATOM 2908 N HIS B 93 11.452 -4.658 5.935 1.00 0.46 N ATOM 2909 CA HIS B 93 11.843 -5.767 6.792 1.00 0.52 C ATOM 2910 C HIS B 93 12.555 -6.825 5.961 1.00 0.54 C ATOM 2911 O HIS B 93 13.648 -7.268 6.310 1.00 0.66 O ATOM 2912 CB HIS B 93 10.625 -6.365 7.504 1.00 0.58 C ATOM 2913 CG HIS B 93 10.365 -5.757 8.851 1.00 0.65 C ATOM 2914 ND1 HIS B 93 9.781 -4.517 9.024 1.00 1.25 N ATOM 2915 CD2 HIS B 93 10.626 -6.223 10.096 1.00 1.25 C ATOM 2916 CE1 HIS B 93 9.697 -4.254 10.314 1.00 1.14 C ATOM 2917 NE2 HIS B 93 10.201 -5.270 10.982 1.00 1.10 N ATOM 0 H HIS B 93 10.478 -4.678 5.632 1.00 0.46 H new ATOM 0 HA HIS B 93 12.524 -5.397 7.558 1.00 0.52 H new ATOM 0 HB2 HIS B 93 9.744 -6.230 6.876 1.00 0.58 H new ATOM 0 HB3 HIS B 93 10.772 -7.439 7.620 1.00 0.58 H new ATOM 0 HD1 HIS B 93 9.465 -3.903 8.274 1.00 1.25 H new ATOM 0 HD2 HIS B 93 11.084 -7.169 10.343 1.00 1.25 H new ATOM 0 HE1 HIS B 93 9.284 -3.356 10.749 1.00 1.14 H new ATOM 2926 N ASP B 94 11.930 -7.210 4.852 1.00 0.58 N ATOM 2927 CA ASP B 94 12.498 -8.200 3.939 1.00 0.63 C ATOM 2928 C ASP B 94 11.697 -8.246 2.645 1.00 0.78 C ATOM 2929 O ASP B 94 10.756 -9.031 2.513 1.00 1.65 O ATOM 2930 CB ASP B 94 12.526 -9.591 4.578 1.00 0.67 C ATOM 2931 CG ASP B 94 13.230 -10.617 3.708 1.00 0.79 C ATOM 2932 OD1 ASP B 94 14.354 -10.336 3.234 1.00 0.92 O ATOM 2933 OD2 ASP B 94 12.668 -11.713 3.497 1.00 1.08 O ATOM 0 H ASP B 94 11.022 -6.848 4.561 1.00 0.58 H new ATOM 0 HA ASP B 94 13.523 -7.901 3.719 1.00 0.63 H new ATOM 0 HB2 ASP B 94 13.027 -9.533 5.544 1.00 0.67 H new ATOM 0 HB3 ASP B 94 11.505 -9.920 4.768 1.00 0.67 H new ATOM 2938 N GLY B 95 12.057 -7.386 1.705 1.00 0.57 N ATOM 2939 CA GLY B 95 11.360 -7.339 0.432 1.00 0.52 C ATOM 2940 C GLY B 95 10.009 -6.659 0.542 1.00 0.46 C ATOM 2941 O GLY B 95 9.024 -7.284 0.937 1.00 0.53 O ATOM 0 H GLY B 95 12.821 -6.717 1.799 1.00 0.57 H new ATOM 0 HA2 GLY B 95 11.973 -6.809 -0.296 1.00 0.52 H new ATOM 0 HA3 GLY B 95 11.225 -8.353 0.056 1.00 0.52 H new ATOM 2945 N LEU B 96 9.965 -5.376 0.207 1.00 0.41 N ATOM 2946 CA LEU B 96 8.728 -4.605 0.274 1.00 0.40 C ATOM 2947 C LEU B 96 8.742 -3.476 -0.747 1.00 0.37 C ATOM 2948 O LEU B 96 9.769 -3.209 -1.378 1.00 0.41 O ATOM 2949 CB LEU B 96 8.520 -4.041 1.685 1.00 0.44 C ATOM 2950 CG LEU B 96 7.965 -5.037 2.707 1.00 0.53 C ATOM 2951 CD1 LEU B 96 8.334 -4.616 4.118 1.00 0.58 C ATOM 2952 CD2 LEU B 96 6.455 -5.165 2.564 1.00 0.70 C ATOM 0 H LEU B 96 10.774 -4.845 -0.115 1.00 0.41 H new ATOM 0 HA LEU B 96 7.899 -5.273 0.040 1.00 0.40 H new ATOM 0 HB2 LEU B 96 9.473 -3.661 2.052 1.00 0.44 H new ATOM 0 HB3 LEU B 96 7.841 -3.191 1.623 1.00 0.44 H new ATOM 0 HG LEU B 96 8.412 -6.012 2.513 1.00 0.53 H new ATOM 0 HD11 LEU B 96 7.931 -5.336 4.830 1.00 0.58 H new ATOM 0 HD12 LEU B 96 9.419 -4.579 4.215 1.00 0.58 H new ATOM 0 HD13 LEU B 96 7.918 -3.630 4.324 1.00 0.58 H new ATOM 0 HD21 LEU B 96 6.079 -5.877 3.299 1.00 0.70 H new ATOM 0 HD22 LEU B 96 5.990 -4.193 2.730 1.00 0.70 H new ATOM 0 HD23 LEU B 96 6.213 -5.517 1.561 1.00 0.70 H new ATOM 2964 N THR B 97 7.602 -2.820 -0.900 1.00 0.39 N ATOM 2965 CA THR B 97 7.461 -1.727 -1.847 1.00 0.39 C ATOM 2966 C THR B 97 7.213 -0.402 -1.129 1.00 0.37 C ATOM 2967 O THR B 97 6.501 -0.356 -0.125 1.00 0.46 O ATOM 2968 CB THR B 97 6.289 -2.000 -2.807 1.00 0.46 C ATOM 2969 OG1 THR B 97 5.676 -3.256 -2.477 1.00 0.83 O ATOM 2970 CG2 THR B 97 6.760 -2.027 -4.252 1.00 0.78 C ATOM 0 H THR B 97 6.753 -3.029 -0.374 1.00 0.39 H new ATOM 0 HA THR B 97 8.393 -1.657 -2.408 1.00 0.39 H new ATOM 0 HB THR B 97 5.563 -1.194 -2.697 1.00 0.46 H new ATOM 0 HG1 THR B 97 4.929 -3.426 -3.089 1.00 0.83 H new ATOM 0 HG21 THR B 97 5.911 -2.222 -4.908 1.00 0.78 H new ATOM 0 HG22 THR B 97 7.203 -1.065 -4.508 1.00 0.78 H new ATOM 0 HG23 THR B 97 7.504 -2.814 -4.378 1.00 0.78 H new ATOM 2978 N VAL B 98 7.809 0.667 -1.640 1.00 0.33 N ATOM 2979 CA VAL B 98 7.639 1.992 -1.059 1.00 0.31 C ATOM 2980 C VAL B 98 7.247 3.004 -2.130 1.00 0.30 C ATOM 2981 O VAL B 98 7.535 2.815 -3.313 1.00 0.36 O ATOM 2982 CB VAL B 98 8.913 2.484 -0.337 1.00 0.31 C ATOM 2983 CG1 VAL B 98 9.108 1.741 0.974 1.00 0.37 C ATOM 2984 CG2 VAL B 98 10.137 2.334 -1.226 1.00 0.34 C ATOM 0 H VAL B 98 8.417 0.642 -2.459 1.00 0.33 H new ATOM 0 HA VAL B 98 6.842 1.907 -0.321 1.00 0.31 H new ATOM 0 HB VAL B 98 8.786 3.544 -0.116 1.00 0.31 H new ATOM 0 HG11 VAL B 98 10.011 2.103 1.466 1.00 0.37 H new ATOM 0 HG12 VAL B 98 8.248 1.913 1.621 1.00 0.37 H new ATOM 0 HG13 VAL B 98 9.205 0.674 0.776 1.00 0.37 H new ATOM 0 HG21 VAL B 98 11.019 2.688 -0.693 1.00 0.34 H new ATOM 0 HG22 VAL B 98 10.269 1.285 -1.490 1.00 0.34 H new ATOM 0 HG23 VAL B 98 10.002 2.922 -2.134 1.00 0.34 H new ATOM 2994 N HIS B 99 6.572 4.064 -1.713 1.00 0.29 N ATOM 2995 CA HIS B 99 6.136 5.113 -2.627 1.00 0.31 C ATOM 2996 C HIS B 99 7.114 6.280 -2.580 1.00 0.30 C ATOM 2997 O HIS B 99 7.762 6.500 -1.563 1.00 0.47 O ATOM 2998 CB HIS B 99 4.735 5.594 -2.239 1.00 0.38 C ATOM 2999 CG HIS B 99 3.801 5.746 -3.399 1.00 0.47 C ATOM 3000 ND1 HIS B 99 2.981 4.730 -3.836 1.00 0.68 N ATOM 3001 CD2 HIS B 99 3.553 6.802 -4.211 1.00 0.71 C ATOM 3002 CE1 HIS B 99 2.280 5.151 -4.868 1.00 0.81 C ATOM 3003 NE2 HIS B 99 2.605 6.403 -5.114 1.00 0.81 N ATOM 0 H HIS B 99 6.312 4.223 -0.740 1.00 0.29 H new ATOM 0 HA HIS B 99 6.107 4.712 -3.640 1.00 0.31 H new ATOM 0 HB2 HIS B 99 4.304 4.889 -1.528 1.00 0.38 H new ATOM 0 HB3 HIS B 99 4.820 6.552 -1.726 1.00 0.38 H new ATOM 0 HD2 HIS B 99 4.016 7.776 -4.156 1.00 0.71 H new ATOM 0 HE1 HIS B 99 1.559 4.567 -5.420 1.00 0.81 H new ATOM 0 HE2 HIS B 99 2.214 6.982 -5.857 1.00 0.81 H new ATOM 3012 N LEU B 100 7.224 7.026 -3.669 1.00 0.31 N ATOM 3013 CA LEU B 100 8.130 8.164 -3.716 1.00 0.32 C ATOM 3014 C LEU B 100 7.368 9.461 -3.984 1.00 0.32 C ATOM 3015 O LEU B 100 6.774 9.639 -5.049 1.00 0.40 O ATOM 3016 CB LEU B 100 9.192 7.938 -4.795 1.00 0.37 C ATOM 3017 CG LEU B 100 10.353 8.933 -4.794 1.00 0.50 C ATOM 3018 CD1 LEU B 100 11.680 8.194 -4.869 1.00 0.85 C ATOM 3019 CD2 LEU B 100 10.219 9.903 -5.956 1.00 0.91 C ATOM 0 H LEU B 100 6.700 6.865 -4.529 1.00 0.31 H new ATOM 0 HA LEU B 100 8.619 8.256 -2.746 1.00 0.32 H new ATOM 0 HB2 LEU B 100 9.597 6.933 -4.676 1.00 0.37 H new ATOM 0 HB3 LEU B 100 8.707 7.973 -5.771 1.00 0.37 H new ATOM 0 HG LEU B 100 10.324 9.502 -3.864 1.00 0.50 H new ATOM 0 HD11 LEU B 100 12.498 8.914 -4.868 1.00 0.85 H new ATOM 0 HD12 LEU B 100 11.777 7.533 -4.008 1.00 0.85 H new ATOM 0 HD13 LEU B 100 11.717 7.605 -5.785 1.00 0.85 H new ATOM 0 HD21 LEU B 100 11.053 10.605 -5.942 1.00 0.91 H new ATOM 0 HD22 LEU B 100 10.227 9.349 -6.895 1.00 0.91 H new ATOM 0 HD23 LEU B 100 9.281 10.451 -5.866 1.00 0.91 H new ATOM 3031 N VAL B 101 7.378 10.363 -3.011 1.00 0.30 N ATOM 3032 CA VAL B 101 6.691 11.644 -3.146 1.00 0.32 C ATOM 3033 C VAL B 101 7.647 12.802 -2.877 1.00 0.33 C ATOM 3034 O VAL B 101 8.767 12.591 -2.413 1.00 0.38 O ATOM 3035 CB VAL B 101 5.478 11.753 -2.193 1.00 0.39 C ATOM 3036 CG1 VAL B 101 4.444 10.682 -2.510 1.00 0.50 C ATOM 3037 CG2 VAL B 101 5.920 11.662 -0.740 1.00 0.52 C ATOM 0 H VAL B 101 7.854 10.232 -2.119 1.00 0.30 H new ATOM 0 HA VAL B 101 6.328 11.700 -4.172 1.00 0.32 H new ATOM 0 HB VAL B 101 5.015 12.728 -2.346 1.00 0.39 H new ATOM 0 HG11 VAL B 101 3.600 10.778 -1.827 1.00 0.50 H new ATOM 0 HG12 VAL B 101 4.097 10.804 -3.536 1.00 0.50 H new ATOM 0 HG13 VAL B 101 4.894 9.696 -2.394 1.00 0.50 H new ATOM 0 HG21 VAL B 101 5.049 11.741 -0.089 1.00 0.52 H new ATOM 0 HG22 VAL B 101 6.415 10.706 -0.569 1.00 0.52 H new ATOM 0 HG23 VAL B 101 6.613 12.474 -0.519 1.00 0.52 H new ATOM 3047 N ILE B 102 7.192 14.018 -3.162 1.00 0.36 N ATOM 3048 CA ILE B 102 8.006 15.216 -2.963 1.00 0.41 C ATOM 3049 C ILE B 102 7.325 16.203 -2.015 1.00 0.51 C ATOM 3050 O ILE B 102 7.066 17.353 -2.370 1.00 0.79 O ATOM 3051 CB ILE B 102 8.326 15.936 -4.301 1.00 0.52 C ATOM 3052 CG1 ILE B 102 7.055 16.125 -5.159 1.00 0.71 C ATOM 3053 CG2 ILE B 102 9.398 15.174 -5.067 1.00 0.76 C ATOM 3054 CD1 ILE B 102 6.767 14.987 -6.123 1.00 1.32 C ATOM 0 H ILE B 102 6.260 14.202 -3.533 1.00 0.36 H new ATOM 0 HA ILE B 102 8.942 14.875 -2.519 1.00 0.41 H new ATOM 0 HB ILE B 102 8.709 16.930 -4.069 1.00 0.52 H new ATOM 0 HG12 ILE B 102 6.199 16.246 -4.495 1.00 0.71 H new ATOM 0 HG13 ILE B 102 7.151 17.050 -5.728 1.00 0.71 H new ATOM 0 HG21 ILE B 102 9.613 15.690 -6.003 1.00 0.76 H new ATOM 0 HG22 ILE B 102 10.306 15.120 -4.466 1.00 0.76 H new ATOM 0 HG23 ILE B 102 9.044 14.165 -5.281 1.00 0.76 H new ATOM 0 HD11 ILE B 102 5.858 15.206 -6.683 1.00 1.32 H new ATOM 0 HD12 ILE B 102 7.602 14.877 -6.815 1.00 1.32 H new ATOM 0 HD13 ILE B 102 6.635 14.061 -5.564 1.00 1.32 H new ATOM 3066 N LYS B 103 7.043 15.751 -0.803 1.00 0.59 N ATOM 3067 CA LYS B 103 6.387 16.591 0.189 1.00 0.76 C ATOM 3068 C LYS B 103 7.307 16.850 1.379 1.00 0.91 C ATOM 3069 O LYS B 103 7.146 16.172 2.416 1.00 1.07 O ATOM 3070 CB LYS B 103 5.088 15.934 0.658 1.00 0.86 C ATOM 3071 CG LYS B 103 4.020 15.872 -0.422 1.00 1.00 C ATOM 3072 CD LYS B 103 3.342 17.220 -0.612 1.00 1.15 C ATOM 3073 CE LYS B 103 2.378 17.199 -1.787 1.00 1.32 C ATOM 3074 NZ LYS B 103 3.093 17.175 -3.090 1.00 1.74 N ATOM 3075 OXT LYS B 103 8.190 17.731 1.269 1.00 1.20 O ATOM 0 H LYS B 103 7.258 14.807 -0.482 1.00 0.59 H new ATOM 0 HA LYS B 103 6.153 17.549 -0.275 1.00 0.76 H new ATOM 0 HB2 LYS B 103 5.305 14.923 1.003 1.00 0.86 H new ATOM 0 HB3 LYS B 103 4.698 16.486 1.513 1.00 0.86 H new ATOM 0 HG2 LYS B 103 4.470 15.554 -1.362 1.00 1.00 H new ATOM 0 HG3 LYS B 103 3.275 15.123 -0.156 1.00 1.00 H new ATOM 0 HD2 LYS B 103 2.803 17.489 0.297 1.00 1.15 H new ATOM 0 HD3 LYS B 103 4.098 17.989 -0.774 1.00 1.15 H new ATOM 0 HE2 LYS B 103 1.732 16.324 -1.711 1.00 1.32 H new ATOM 0 HE3 LYS B 103 1.733 18.076 -1.743 1.00 1.32 H new ATOM 0 HZ1 LYS B 103 2.411 17.315 -3.863 1.00 1.74 H new ATOM 0 HZ2 LYS B 103 3.801 17.936 -3.111 1.00 1.74 H new ATOM 0 HZ3 LYS B 103 3.568 16.257 -3.209 1.00 1.74 H new