USER MOD reduce.3.24.130724 H: found=0, std=0, add=1224, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 1228 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 83 LYS NZ :NH3+ -170:sc= 0.852 (180deg=-0.19) USER MOD Set 1.2: B 72 GLN : amide:sc= 1.23 K(o=2.1,f=-8.2!) USER MOD Set 2.1: A 72 GLN : amide:sc= 1.2 K(o=2,f=-8.1!) USER MOD Set 2.2: B 83 LYS NZ :NH3+ -170:sc= 0.83 (180deg=-0.211) USER MOD Single : A 7 HIS : no HD1:sc= -2.1! X(o=-2.1!,f=-2.4) USER MOD Single : A 13 ASN : amide:sc= -0.233 K(o=-0.23,f=-1.2!) USER MOD Single : A 16 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 17 GLN : amide:sc= 0.0998 X(o=0.1,f=0) USER MOD Single : A 29 SER OG : rot 67:sc= 0.116 USER MOD Single : A 30 LYS NZ :NH3+ 176:sc= 0.519 (180deg=0.443) USER MOD Single : A 34 LYS NZ :NH3+ 167:sc= -0.0104 (180deg=-0.2) USER MOD Single : A 35 GLN : amide:sc=-0.00885 K(o=-0.0089,f=-0.86) USER MOD Single : A 38 THR OG1 : rot -96:sc= 1.29 USER MOD Single : A 39 LYS NZ :NH3+ -175:sc= 1.18 (180deg=0.978) USER MOD Single : A 43 ASN : amide:sc= -0.0827 X(o=-0.083,f=-0.36) USER MOD Single : A 44 THR OG1 : rot -38:sc= 0.453 USER MOD Single : A 46 LYS NZ :NH3+ 142:sc= -1.23 (180deg=-2.66!) USER MOD Single : A 47 ASN : amide:sc= -3.2! C(o=-3.2!,f=-3.2!) USER MOD Single : A 49 LYS NZ :NH3+ -164:sc= -0.0305 (180deg=-0.269) USER MOD Single : A 51 LYS NZ :NH3+ -164:sc= -0.07 (180deg=-0.363) USER MOD Single : A 59 GLN : amide:sc= -0.0128 X(o=-0.013,f=-0.48) USER MOD Single : A 64 ASN : amide:sc= 0.295 K(o=0.29,f=-0.23) USER MOD Single : A 65 GLN : amide:sc= -0.293 K(o=-0.29,f=-0.99) USER MOD Single : A 68 GLN : amide:sc= 0 X(o=0,f=0.23) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 86 HIS : no HD1:sc= -0.221 X(o=-0.22,f=-0.4) USER MOD Single : A 87 TYR OH : rot 180:sc= 0 USER MOD Single : A 88 HIS : no HD1:sc= -0.172 K(o=-0.17,f=-2.4!) USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 HIS : no HD1:sc= -1.11 X(o=-1.1,f=-1.1) USER MOD Single : B 7 HIS : no HD1:sc= -2.21! X(o=-2.2!,f=-2.3) USER MOD Single : B 13 ASN : amide:sc= -0.235 K(o=-0.23,f=-1.2!) USER MOD Single : B 16 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 17 GLN : amide:sc=0.000382 X(o=0.00038,f=0) USER MOD Single : B 29 SER OG : rot 68:sc= 0.076 USER MOD Single : B 30 LYS NZ :NH3+ 174:sc= 0.601 (180deg=0.514) USER MOD Single : B 34 LYS NZ :NH3+ 165:sc= -0.0119 (180deg=-0.221) USER MOD Single : B 35 GLN : amide:sc=-0.00652 K(o=-0.0065,f=-0.8) USER MOD Single : B 38 THR OG1 : rot -99:sc= 1.2 USER MOD Single : B 39 LYS NZ :NH3+ -174:sc= 1.15 (180deg=1) USER MOD Single : B 43 ASN : amide:sc= -0.0571 X(o=-0.057,f=-0.3) USER MOD Single : B 44 THR OG1 : rot -35:sc= 0.173 USER MOD Single : B 46 LYS NZ :NH3+ 143:sc= -1.16 (180deg=-2.51!) USER MOD Single : B 47 ASN : amide:sc= -3.32! C(o=-3.3!,f=-3.6!) USER MOD Single : B 49 LYS NZ :NH3+ -164:sc= -0.049 (180deg=-0.281) USER MOD Single : B 51 LYS NZ :NH3+ -166:sc= -0.07 (180deg=-0.348) USER MOD Single : B 59 GLN : amide:sc=-0.00146 X(o=-0.0015,f=-0.39) USER MOD Single : B 64 ASN : amide:sc= 0.161! X(o=0.16!,f=-0.25) USER MOD Single : B 65 GLN : amide:sc= -0.183 K(o=-0.18,f=-0.8) USER MOD Single : B 68 GLN : amide:sc= 0 X(o=0,f=0.27) USER MOD Single : B 76 SER OG : rot 180:sc= 0 USER MOD Single : B 86 HIS : no HD1:sc= -0.211 X(o=-0.21,f=-0.42) USER MOD Single : B 87 TYR OH : rot 180:sc= 0 USER MOD Single : B 88 HIS : no HD1:sc= -0.112 K(o=-0.11,f=-2.5!) USER MOD Single : B 89 THR OG1 : rot 180:sc= 0 USER MOD Single : B 90 HIS : no HD1:sc= -1.05 X(o=-1,f=-1) USER MOD ----------------------------------------------------------------- ATOM 75 N GLU A 5 -5.027 5.752 9.931 1.00 1.20 N ATOM 76 CA GLU A 5 -3.976 6.071 8.980 1.00 0.93 C ATOM 77 C GLU A 5 -2.600 5.805 9.586 1.00 0.69 C ATOM 78 O GLU A 5 -1.581 6.034 8.944 1.00 0.68 O ATOM 79 CB GLU A 5 -4.084 7.524 8.512 1.00 1.39 C ATOM 80 CG GLU A 5 -4.161 8.538 9.641 1.00 1.80 C ATOM 81 CD GLU A 5 -4.150 9.966 9.133 1.00 2.48 C ATOM 82 OE1 GLU A 5 -5.209 10.452 8.689 1.00 3.10 O ATOM 83 OE2 GLU A 5 -3.084 10.612 9.186 1.00 3.00 O ATOM 0 HA GLU A 5 -4.101 5.424 8.112 1.00 0.93 H new ATOM 0 HB2 GLU A 5 -3.222 7.758 7.887 1.00 1.39 H new ATOM 0 HB3 GLU A 5 -4.970 7.627 7.885 1.00 1.39 H new ATOM 0 HG2 GLU A 5 -5.069 8.367 10.219 1.00 1.80 H new ATOM 0 HG3 GLU A 5 -3.320 8.389 10.318 1.00 1.80 H new ATOM 90 N GLU A 6 -2.583 5.305 10.821 1.00 0.68 N ATOM 91 CA GLU A 6 -1.346 4.875 11.467 1.00 0.67 C ATOM 92 C GLU A 6 -0.663 3.798 10.630 1.00 0.54 C ATOM 93 O GLU A 6 0.556 3.650 10.648 1.00 0.60 O ATOM 94 CB GLU A 6 -1.642 4.319 12.861 1.00 0.78 C ATOM 95 CG GLU A 6 -0.411 3.797 13.583 1.00 1.07 C ATOM 96 CD GLU A 6 -0.758 2.894 14.743 1.00 1.79 C ATOM 97 OE1 GLU A 6 -0.942 1.681 14.515 1.00 2.48 O ATOM 98 OE2 GLU A 6 -0.847 3.390 15.886 1.00 2.51 O ATOM 0 H GLU A 6 -3.417 5.188 11.396 1.00 0.68 H new ATOM 0 HA GLU A 6 -0.686 5.738 11.556 1.00 0.67 H new ATOM 0 HB2 GLU A 6 -2.102 5.101 13.465 1.00 0.78 H new ATOM 0 HB3 GLU A 6 -2.371 3.513 12.774 1.00 0.78 H new ATOM 0 HG2 GLU A 6 0.216 3.252 12.877 1.00 1.07 H new ATOM 0 HG3 GLU A 6 0.177 4.640 13.946 1.00 1.07 H new ATOM 105 N HIS A 7 -1.461 3.042 9.892 1.00 0.42 N ATOM 106 CA HIS A 7 -0.927 2.003 9.033 1.00 0.38 C ATOM 107 C HIS A 7 -0.273 2.635 7.808 1.00 0.35 C ATOM 108 O HIS A 7 0.849 2.281 7.449 1.00 0.39 O ATOM 109 CB HIS A 7 -2.021 1.013 8.624 1.00 0.43 C ATOM 110 CG HIS A 7 -2.685 0.335 9.788 1.00 0.95 C ATOM 111 ND1 HIS A 7 -2.016 -0.498 10.664 1.00 1.73 N ATOM 112 CD2 HIS A 7 -3.965 0.388 10.233 1.00 1.60 C ATOM 113 CE1 HIS A 7 -2.855 -0.926 11.588 1.00 2.16 C ATOM 114 NE2 HIS A 7 -4.039 -0.403 11.349 1.00 2.03 N ATOM 0 H HIS A 7 -2.477 3.130 9.872 1.00 0.42 H new ATOM 0 HA HIS A 7 -0.171 1.444 9.585 1.00 0.38 H new ATOM 0 HB2 HIS A 7 -2.777 1.540 8.042 1.00 0.43 H new ATOM 0 HB3 HIS A 7 -1.588 0.255 7.972 1.00 0.43 H new ATOM 0 HD2 HIS A 7 -4.775 0.949 9.790 1.00 1.60 H new ATOM 0 HE1 HIS A 7 -2.612 -1.592 12.402 1.00 2.16 H new ATOM 0 HE2 HIS A 7 -4.878 -0.562 11.906 1.00 2.03 H new ATOM 123 N LEU A 8 -0.973 3.589 7.195 1.00 0.34 N ATOM 124 CA LEU A 8 -0.421 4.371 6.087 1.00 0.32 C ATOM 125 C LEU A 8 0.824 5.133 6.526 1.00 0.33 C ATOM 126 O LEU A 8 1.913 4.943 5.985 1.00 0.33 O ATOM 127 CB LEU A 8 -1.458 5.374 5.589 1.00 0.33 C ATOM 128 CG LEU A 8 -2.769 4.762 5.094 1.00 0.32 C ATOM 129 CD1 LEU A 8 -3.735 5.846 4.669 1.00 0.32 C ATOM 130 CD2 LEU A 8 -2.510 3.795 3.951 1.00 0.33 C ATOM 0 H LEU A 8 -1.929 3.841 7.448 1.00 0.34 H new ATOM 0 HA LEU A 8 -0.155 3.679 5.288 1.00 0.32 H new ATOM 0 HB2 LEU A 8 -1.683 6.071 6.396 1.00 0.33 H new ATOM 0 HB3 LEU A 8 -1.018 5.955 4.779 1.00 0.33 H new ATOM 0 HG LEU A 8 -3.220 4.206 5.916 1.00 0.32 H new ATOM 0 HD11 LEU A 8 -4.662 5.391 4.320 1.00 0.32 H new ATOM 0 HD12 LEU A 8 -3.947 6.497 5.517 1.00 0.32 H new ATOM 0 HD13 LEU A 8 -3.293 6.432 3.863 1.00 0.32 H new ATOM 0 HD21 LEU A 8 -3.455 3.370 3.613 1.00 0.33 H new ATOM 0 HD22 LEU A 8 -2.035 4.326 3.126 1.00 0.33 H new ATOM 0 HD23 LEU A 8 -1.854 2.995 4.293 1.00 0.33 H new ATOM 142 N GLU A 9 0.649 5.983 7.529 1.00 0.37 N ATOM 143 CA GLU A 9 1.711 6.859 7.996 1.00 0.40 C ATOM 144 C GLU A 9 2.852 6.051 8.605 1.00 0.40 C ATOM 145 O GLU A 9 3.998 6.493 8.621 1.00 0.42 O ATOM 146 CB GLU A 9 1.163 7.851 9.024 1.00 0.47 C ATOM 147 CG GLU A 9 2.090 9.020 9.285 1.00 1.24 C ATOM 148 CD GLU A 9 1.638 9.884 10.442 1.00 1.72 C ATOM 149 OE1 GLU A 9 0.817 10.796 10.224 1.00 2.17 O ATOM 150 OE2 GLU A 9 2.105 9.660 11.579 1.00 2.41 O ATOM 0 H GLU A 9 -0.229 6.083 8.038 1.00 0.37 H new ATOM 0 HA GLU A 9 2.099 7.411 7.140 1.00 0.40 H new ATOM 0 HB2 GLU A 9 0.202 8.230 8.676 1.00 0.47 H new ATOM 0 HB3 GLU A 9 0.979 7.327 9.962 1.00 0.47 H new ATOM 0 HG2 GLU A 9 3.092 8.644 9.489 1.00 1.24 H new ATOM 0 HG3 GLU A 9 2.157 9.632 8.386 1.00 1.24 H new ATOM 157 N GLY A 10 2.529 4.866 9.105 1.00 0.40 N ATOM 158 CA GLY A 10 3.541 3.982 9.649 1.00 0.43 C ATOM 159 C GLY A 10 4.441 3.426 8.567 1.00 0.39 C ATOM 160 O GLY A 10 5.627 3.190 8.792 1.00 0.44 O ATOM 0 H GLY A 10 1.578 4.499 9.144 1.00 0.40 H new ATOM 0 HA2 GLY A 10 4.142 4.523 10.379 1.00 0.43 H new ATOM 0 HA3 GLY A 10 3.059 3.160 10.179 1.00 0.43 H new ATOM 164 N ILE A 11 3.872 3.209 7.391 1.00 0.34 N ATOM 165 CA ILE A 11 4.655 2.818 6.231 1.00 0.33 C ATOM 166 C ILE A 11 5.500 4.004 5.772 1.00 0.33 C ATOM 167 O ILE A 11 6.654 3.857 5.380 1.00 0.38 O ATOM 168 CB ILE A 11 3.748 2.335 5.079 1.00 0.35 C ATOM 169 CG1 ILE A 11 3.055 1.019 5.449 1.00 0.41 C ATOM 170 CG2 ILE A 11 4.541 2.173 3.797 1.00 0.50 C ATOM 171 CD1 ILE A 11 4.008 -0.143 5.649 1.00 1.16 C ATOM 0 H ILE A 11 2.871 3.297 7.216 1.00 0.34 H new ATOM 0 HA ILE A 11 5.304 1.988 6.512 1.00 0.33 H new ATOM 0 HB ILE A 11 2.983 3.093 4.914 1.00 0.35 H new ATOM 0 HG12 ILE A 11 2.481 1.167 6.364 1.00 0.41 H new ATOM 0 HG13 ILE A 11 2.343 0.762 4.664 1.00 0.41 H new ATOM 0 HG21 ILE A 11 3.880 1.832 3.001 1.00 0.50 H new ATOM 0 HG22 ILE A 11 4.981 3.130 3.518 1.00 0.50 H new ATOM 0 HG23 ILE A 11 5.333 1.440 3.949 1.00 0.50 H new ATOM 0 HD11 ILE A 11 3.442 -1.038 5.908 1.00 1.16 H new ATOM 0 HD12 ILE A 11 4.564 -0.320 4.729 1.00 1.16 H new ATOM 0 HD13 ILE A 11 4.704 0.092 6.454 1.00 1.16 H new ATOM 183 N VAL A 12 4.918 5.185 5.859 1.00 0.33 N ATOM 184 CA VAL A 12 5.635 6.415 5.560 1.00 0.38 C ATOM 185 C VAL A 12 6.768 6.635 6.571 1.00 0.40 C ATOM 186 O VAL A 12 7.791 7.248 6.263 1.00 0.45 O ATOM 187 CB VAL A 12 4.660 7.615 5.558 1.00 0.45 C ATOM 188 CG1 VAL A 12 5.393 8.931 5.375 1.00 0.57 C ATOM 189 CG2 VAL A 12 3.619 7.434 4.466 1.00 0.48 C ATOM 0 H VAL A 12 3.946 5.321 6.136 1.00 0.33 H new ATOM 0 HA VAL A 12 6.078 6.330 4.568 1.00 0.38 H new ATOM 0 HB VAL A 12 4.164 7.647 6.528 1.00 0.45 H new ATOM 0 HG11 VAL A 12 4.675 9.751 5.379 1.00 0.57 H new ATOM 0 HG12 VAL A 12 6.104 9.068 6.190 1.00 0.57 H new ATOM 0 HG13 VAL A 12 5.927 8.921 4.425 1.00 0.57 H new ATOM 0 HG21 VAL A 12 2.936 8.283 4.471 1.00 0.48 H new ATOM 0 HG22 VAL A 12 4.115 7.372 3.497 1.00 0.48 H new ATOM 0 HG23 VAL A 12 3.059 6.516 4.646 1.00 0.48 H new ATOM 199 N ASN A 13 6.587 6.092 7.769 1.00 0.42 N ATOM 200 CA ASN A 13 7.588 6.188 8.825 1.00 0.48 C ATOM 201 C ASN A 13 8.814 5.351 8.469 1.00 0.48 C ATOM 202 O ASN A 13 9.950 5.802 8.620 1.00 0.58 O ATOM 203 CB ASN A 13 6.993 5.724 10.161 1.00 0.61 C ATOM 204 CG ASN A 13 7.854 6.082 11.364 1.00 0.75 C ATOM 205 OD1 ASN A 13 9.077 6.183 11.274 1.00 1.31 O ATOM 206 ND2 ASN A 13 7.212 6.282 12.503 1.00 1.42 N ATOM 0 H ASN A 13 5.748 5.576 8.035 1.00 0.42 H new ATOM 0 HA ASN A 13 7.896 7.229 8.923 1.00 0.48 H new ATOM 0 HB2 ASN A 13 6.006 6.170 10.285 1.00 0.61 H new ATOM 0 HB3 ASN A 13 6.854 4.643 10.132 1.00 0.61 H new ATOM 0 HD21 ASN A 13 7.732 6.529 13.345 1.00 1.42 H new ATOM 0 HD22 ASN A 13 6.197 6.189 12.539 1.00 1.42 H new ATOM 213 N ILE A 14 8.587 4.135 7.974 1.00 0.47 N ATOM 214 CA ILE A 14 9.696 3.276 7.570 1.00 0.57 C ATOM 215 C ILE A 14 10.335 3.794 6.280 1.00 0.53 C ATOM 216 O ILE A 14 11.504 3.520 6.005 1.00 0.60 O ATOM 217 CB ILE A 14 9.291 1.789 7.422 1.00 0.68 C ATOM 218 CG1 ILE A 14 8.197 1.610 6.369 1.00 1.33 C ATOM 219 CG2 ILE A 14 8.837 1.237 8.765 1.00 1.14 C ATOM 220 CD1 ILE A 14 7.770 0.170 6.169 1.00 2.06 C ATOM 0 H ILE A 14 7.660 3.728 7.845 1.00 0.47 H new ATOM 0 HA ILE A 14 10.430 3.317 8.375 1.00 0.57 H new ATOM 0 HB ILE A 14 10.165 1.231 7.086 1.00 0.68 H new ATOM 0 HG12 ILE A 14 7.327 2.200 6.658 1.00 1.33 H new ATOM 0 HG13 ILE A 14 8.552 2.009 5.419 1.00 1.33 H new ATOM 0 HG21 ILE A 14 8.554 0.191 8.651 1.00 1.14 H new ATOM 0 HG22 ILE A 14 9.651 1.317 9.485 1.00 1.14 H new ATOM 0 HG23 ILE A 14 7.980 1.808 9.122 1.00 1.14 H new ATOM 0 HD11 ILE A 14 6.992 0.124 5.407 1.00 2.06 H new ATOM 0 HD12 ILE A 14 8.627 -0.422 5.849 1.00 2.06 H new ATOM 0 HD13 ILE A 14 7.384 -0.229 7.107 1.00 2.06 H new ATOM 232 N PHE A 15 9.569 4.557 5.499 1.00 0.48 N ATOM 233 CA PHE A 15 10.131 5.292 4.368 1.00 0.58 C ATOM 234 C PHE A 15 11.169 6.280 4.881 1.00 0.60 C ATOM 235 O PHE A 15 12.280 6.376 4.356 1.00 0.70 O ATOM 236 CB PHE A 15 9.047 6.056 3.597 1.00 0.68 C ATOM 237 CG PHE A 15 8.126 5.201 2.768 1.00 1.18 C ATOM 238 CD1 PHE A 15 8.283 3.825 2.703 1.00 1.74 C ATOM 239 CD2 PHE A 15 7.102 5.789 2.043 1.00 1.93 C ATOM 240 CE1 PHE A 15 7.432 3.055 1.934 1.00 2.35 C ATOM 241 CE2 PHE A 15 6.251 5.024 1.271 1.00 2.54 C ATOM 242 CZ PHE A 15 6.417 3.655 1.216 1.00 2.57 C ATOM 0 H PHE A 15 8.565 4.681 5.628 1.00 0.48 H new ATOM 0 HA PHE A 15 10.588 4.573 3.689 1.00 0.58 H new ATOM 0 HB2 PHE A 15 8.447 6.622 4.310 1.00 0.68 H new ATOM 0 HB3 PHE A 15 9.532 6.780 2.942 1.00 0.68 H new ATOM 0 HD1 PHE A 15 9.078 3.351 3.259 1.00 1.74 H new ATOM 0 HD2 PHE A 15 6.968 6.860 2.082 1.00 1.93 H new ATOM 0 HE1 PHE A 15 7.561 1.983 1.895 1.00 2.35 H new ATOM 0 HE2 PHE A 15 5.457 5.496 0.711 1.00 2.54 H new ATOM 0 HZ PHE A 15 5.754 3.054 0.612 1.00 2.57 H new ATOM 252 N HIS A 16 10.789 6.995 5.930 1.00 0.59 N ATOM 253 CA HIS A 16 11.661 7.955 6.591 1.00 0.71 C ATOM 254 C HIS A 16 12.822 7.236 7.276 1.00 0.75 C ATOM 255 O HIS A 16 13.853 7.835 7.560 1.00 0.88 O ATOM 256 CB HIS A 16 10.847 8.764 7.614 1.00 0.77 C ATOM 257 CG HIS A 16 11.573 9.929 8.221 1.00 1.15 C ATOM 258 ND1 HIS A 16 11.426 11.223 7.768 1.00 1.82 N ATOM 259 CD2 HIS A 16 12.429 9.999 9.270 1.00 1.84 C ATOM 260 CE1 HIS A 16 12.157 12.032 8.507 1.00 2.22 C ATOM 261 NE2 HIS A 16 12.777 11.317 9.426 1.00 2.23 N ATOM 0 H HIS A 16 9.862 6.925 6.349 1.00 0.59 H new ATOM 0 HA HIS A 16 12.076 8.635 5.848 1.00 0.71 H new ATOM 0 HB2 HIS A 16 9.943 9.131 7.128 1.00 0.77 H new ATOM 0 HB3 HIS A 16 10.530 8.095 8.414 1.00 0.77 H new ATOM 0 HD2 HIS A 16 12.773 9.171 9.871 1.00 1.84 H new ATOM 0 HE1 HIS A 16 12.236 13.102 8.382 1.00 2.22 H new ATOM 0 HE2 HIS A 16 13.411 11.684 10.136 1.00 2.23 H new ATOM 270 N GLN A 17 12.636 5.949 7.540 1.00 0.69 N ATOM 271 CA GLN A 17 13.628 5.145 8.242 1.00 0.81 C ATOM 272 C GLN A 17 14.856 4.862 7.373 1.00 0.93 C ATOM 273 O GLN A 17 15.983 5.115 7.800 1.00 1.18 O ATOM 274 CB GLN A 17 12.991 3.839 8.719 1.00 0.85 C ATOM 275 CG GLN A 17 13.935 2.918 9.471 1.00 1.27 C ATOM 276 CD GLN A 17 13.217 1.719 10.050 1.00 1.99 C ATOM 277 OE1 GLN A 17 12.751 1.749 11.187 1.00 2.60 O ATOM 278 NE2 GLN A 17 13.113 0.657 9.270 1.00 2.77 N ATOM 0 H GLN A 17 11.796 5.435 7.275 1.00 0.69 H new ATOM 0 HA GLN A 17 13.973 5.715 9.105 1.00 0.81 H new ATOM 0 HB2 GLN A 17 12.144 4.076 9.363 1.00 0.85 H new ATOM 0 HB3 GLN A 17 12.594 3.306 7.855 1.00 0.85 H new ATOM 0 HG2 GLN A 17 14.723 2.579 8.798 1.00 1.27 H new ATOM 0 HG3 GLN A 17 14.419 3.473 10.274 1.00 1.27 H new ATOM 0 HE21 GLN A 17 13.514 0.672 8.332 1.00 2.77 H new ATOM 0 HE22 GLN A 17 12.632 -0.177 9.606 1.00 2.77 H new ATOM 452 N LEU A 28 17.565 5.942 -2.827 1.00 1.14 N ATOM 453 CA LEU A 28 16.307 5.232 -3.057 1.00 0.90 C ATOM 454 C LEU A 28 16.500 4.102 -4.071 1.00 0.71 C ATOM 455 O LEU A 28 15.660 3.877 -4.940 1.00 0.76 O ATOM 456 CB LEU A 28 15.220 6.197 -3.548 1.00 1.66 C ATOM 457 CG LEU A 28 14.962 7.415 -2.657 1.00 2.02 C ATOM 458 CD1 LEU A 28 13.888 8.300 -3.268 1.00 2.91 C ATOM 459 CD2 LEU A 28 14.558 6.982 -1.259 1.00 2.37 C ATOM 0 HA LEU A 28 15.988 4.800 -2.109 1.00 0.90 H new ATOM 0 HB2 LEU A 28 15.495 6.549 -4.542 1.00 1.66 H new ATOM 0 HB3 LEU A 28 14.288 5.642 -3.652 1.00 1.66 H new ATOM 0 HG LEU A 28 15.886 7.988 -2.584 1.00 2.02 H new ATOM 0 HD11 LEU A 28 13.716 9.162 -2.623 1.00 2.91 H new ATOM 0 HD12 LEU A 28 14.214 8.642 -4.251 1.00 2.91 H new ATOM 0 HD13 LEU A 28 12.963 7.732 -3.369 1.00 2.91 H new ATOM 0 HD21 LEU A 28 14.380 7.863 -0.643 1.00 2.37 H new ATOM 0 HD22 LEU A 28 13.647 6.385 -1.312 1.00 2.37 H new ATOM 0 HD23 LEU A 28 15.357 6.386 -0.818 1.00 2.37 H new ATOM 471 N SER A 29 17.618 3.399 -3.958 1.00 0.61 N ATOM 472 CA SER A 29 17.914 2.298 -4.860 1.00 0.49 C ATOM 473 C SER A 29 17.573 0.969 -4.187 1.00 0.44 C ATOM 474 O SER A 29 16.979 0.963 -3.105 1.00 0.53 O ATOM 475 CB SER A 29 19.382 2.336 -5.299 1.00 0.55 C ATOM 476 OG SER A 29 19.621 1.440 -6.372 1.00 1.35 O ATOM 0 H SER A 29 18.333 3.572 -3.252 1.00 0.61 H new ATOM 0 HA SER A 29 17.300 2.399 -5.755 1.00 0.49 H new ATOM 0 HB2 SER A 29 19.647 3.349 -5.602 1.00 0.55 H new ATOM 0 HB3 SER A 29 20.023 2.077 -4.456 1.00 0.55 H new ATOM 0 HG SER A 29 19.140 1.748 -7.169 1.00 1.35 H new ATOM 482 N LYS A 30 17.943 -0.147 -4.805 1.00 0.38 N ATOM 483 CA LYS A 30 17.530 -1.457 -4.311 1.00 0.36 C ATOM 484 C LYS A 30 18.068 -1.724 -2.907 1.00 0.36 C ATOM 485 O LYS A 30 17.476 -2.488 -2.158 1.00 0.37 O ATOM 486 CB LYS A 30 17.977 -2.570 -5.261 1.00 0.39 C ATOM 487 CG LYS A 30 17.156 -3.848 -5.116 1.00 0.41 C ATOM 488 CD LYS A 30 17.624 -4.953 -6.057 1.00 0.50 C ATOM 489 CE LYS A 30 18.039 -4.407 -7.419 1.00 0.52 C ATOM 490 NZ LYS A 30 18.317 -5.473 -8.420 1.00 1.32 N ATOM 0 H LYS A 30 18.524 -0.172 -5.643 1.00 0.38 H new ATOM 0 HA LYS A 30 16.441 -1.451 -4.264 1.00 0.36 H new ATOM 0 HB2 LYS A 30 17.904 -2.213 -6.288 1.00 0.39 H new ATOM 0 HB3 LYS A 30 19.027 -2.797 -5.076 1.00 0.39 H new ATOM 0 HG2 LYS A 30 17.218 -4.201 -4.087 1.00 0.41 H new ATOM 0 HG3 LYS A 30 16.107 -3.627 -5.314 1.00 0.41 H new ATOM 0 HD2 LYS A 30 18.465 -5.481 -5.607 1.00 0.50 H new ATOM 0 HD3 LYS A 30 16.824 -5.681 -6.187 1.00 0.50 H new ATOM 0 HE2 LYS A 30 17.250 -3.758 -7.799 1.00 0.52 H new ATOM 0 HE3 LYS A 30 18.929 -3.789 -7.299 1.00 0.52 H new ATOM 0 HZ1 LYS A 30 18.527 -5.038 -9.341 1.00 1.32 H new ATOM 0 HZ2 LYS A 30 19.133 -6.037 -8.109 1.00 1.32 H new ATOM 0 HZ3 LYS A 30 17.485 -6.090 -8.511 1.00 1.32 H new ATOM 504 N GLY A 31 19.179 -1.086 -2.552 1.00 0.39 N ATOM 505 CA GLY A 31 19.753 -1.273 -1.229 1.00 0.40 C ATOM 506 C GLY A 31 18.827 -0.810 -0.124 1.00 0.38 C ATOM 507 O GLY A 31 18.678 -1.487 0.892 1.00 0.39 O ATOM 0 H GLY A 31 19.693 -0.443 -3.155 1.00 0.39 H new ATOM 0 HA2 GLY A 31 19.987 -2.328 -1.084 1.00 0.40 H new ATOM 0 HA3 GLY A 31 20.693 -0.726 -1.164 1.00 0.40 H new ATOM 511 N GLU A 32 18.196 0.338 -0.335 1.00 0.44 N ATOM 512 CA GLU A 32 17.291 0.913 0.655 1.00 0.50 C ATOM 513 C GLU A 32 16.072 0.018 0.821 1.00 0.42 C ATOM 514 O GLU A 32 15.618 -0.251 1.935 1.00 0.44 O ATOM 515 CB GLU A 32 16.854 2.311 0.213 1.00 0.67 C ATOM 516 CG GLU A 32 18.007 3.215 -0.214 1.00 0.96 C ATOM 517 CD GLU A 32 18.965 3.565 0.912 1.00 1.58 C ATOM 518 OE1 GLU A 32 19.105 2.766 1.861 1.00 2.44 O ATOM 519 OE2 GLU A 32 19.609 4.629 0.831 1.00 2.10 O ATOM 0 H GLU A 32 18.294 0.892 -1.186 1.00 0.44 H new ATOM 0 HA GLU A 32 17.811 0.989 1.610 1.00 0.50 H new ATOM 0 HB2 GLU A 32 16.153 2.216 -0.617 1.00 0.67 H new ATOM 0 HB3 GLU A 32 16.316 2.788 1.032 1.00 0.67 H new ATOM 0 HG2 GLU A 32 18.564 2.724 -1.012 1.00 0.96 H new ATOM 0 HG3 GLU A 32 17.599 4.136 -0.630 1.00 0.96 H new ATOM 526 N LEU A 33 15.561 -0.444 -0.311 1.00 0.38 N ATOM 527 CA LEU A 33 14.448 -1.372 -0.344 1.00 0.34 C ATOM 528 C LEU A 33 14.824 -2.660 0.370 1.00 0.29 C ATOM 529 O LEU A 33 14.103 -3.138 1.237 1.00 0.32 O ATOM 530 CB LEU A 33 14.100 -1.681 -1.796 1.00 0.34 C ATOM 531 CG LEU A 33 12.901 -2.601 -1.995 1.00 0.39 C ATOM 532 CD1 LEU A 33 11.606 -1.843 -1.795 1.00 0.52 C ATOM 533 CD2 LEU A 33 12.938 -3.244 -3.367 1.00 0.46 C ATOM 0 H LEU A 33 15.910 -0.183 -1.233 1.00 0.38 H new ATOM 0 HA LEU A 33 13.590 -0.925 0.157 1.00 0.34 H new ATOM 0 HB2 LEU A 33 13.907 -0.742 -2.314 1.00 0.34 H new ATOM 0 HB3 LEU A 33 14.969 -2.135 -2.272 1.00 0.34 H new ATOM 0 HG LEU A 33 12.953 -3.392 -1.247 1.00 0.39 H new ATOM 0 HD11 LEU A 33 10.763 -2.518 -1.942 1.00 0.52 H new ATOM 0 HD12 LEU A 33 11.574 -1.437 -0.784 1.00 0.52 H new ATOM 0 HD13 LEU A 33 11.547 -1.027 -2.515 1.00 0.52 H new ATOM 0 HD21 LEU A 33 12.073 -3.896 -3.487 1.00 0.46 H new ATOM 0 HD22 LEU A 33 12.917 -2.469 -4.133 1.00 0.46 H new ATOM 0 HD23 LEU A 33 13.851 -3.830 -3.470 1.00 0.46 H new ATOM 545 N LYS A 34 15.977 -3.193 -0.008 1.00 0.29 N ATOM 546 CA LYS A 34 16.489 -4.439 0.535 1.00 0.31 C ATOM 547 C LYS A 34 16.597 -4.363 2.051 1.00 0.35 C ATOM 548 O LYS A 34 16.121 -5.258 2.749 1.00 0.41 O ATOM 549 CB LYS A 34 17.847 -4.753 -0.121 1.00 0.34 C ATOM 550 CG LYS A 34 18.580 -5.981 0.418 1.00 0.53 C ATOM 551 CD LYS A 34 19.367 -5.676 1.687 1.00 0.85 C ATOM 552 CE LYS A 34 20.192 -6.870 2.139 1.00 1.30 C ATOM 553 NZ LYS A 34 21.276 -7.192 1.177 1.00 1.87 N ATOM 0 H LYS A 34 16.587 -2.768 -0.706 1.00 0.29 H new ATOM 0 HA LYS A 34 15.797 -5.250 0.308 1.00 0.31 H new ATOM 0 HB2 LYS A 34 17.689 -4.889 -1.191 1.00 0.34 H new ATOM 0 HB3 LYS A 34 18.496 -3.885 -0.002 1.00 0.34 H new ATOM 0 HG2 LYS A 34 17.858 -6.771 0.623 1.00 0.53 H new ATOM 0 HG3 LYS A 34 19.259 -6.360 -0.346 1.00 0.53 H new ATOM 0 HD2 LYS A 34 20.025 -4.825 1.511 1.00 0.85 H new ATOM 0 HD3 LYS A 34 18.679 -5.388 2.481 1.00 0.85 H new ATOM 0 HE2 LYS A 34 20.625 -6.662 3.117 1.00 1.30 H new ATOM 0 HE3 LYS A 34 19.542 -7.737 2.256 1.00 1.30 H new ATOM 0 HZ1 LYS A 34 21.944 -7.858 1.616 1.00 1.87 H new ATOM 0 HZ2 LYS A 34 20.866 -7.625 0.324 1.00 1.87 H new ATOM 0 HZ3 LYS A 34 21.778 -6.320 0.915 1.00 1.87 H new ATOM 567 N GLN A 35 17.215 -3.296 2.551 1.00 0.35 N ATOM 568 CA GLN A 35 17.331 -3.075 3.982 1.00 0.43 C ATOM 569 C GLN A 35 15.963 -3.173 4.636 1.00 0.43 C ATOM 570 O GLN A 35 15.724 -4.066 5.442 1.00 0.50 O ATOM 571 CB GLN A 35 17.946 -1.704 4.255 1.00 0.50 C ATOM 572 CG GLN A 35 18.212 -1.448 5.724 1.00 1.07 C ATOM 573 CD GLN A 35 18.651 -0.025 6.004 1.00 1.68 C ATOM 574 OE1 GLN A 35 18.251 0.908 5.312 1.00 2.46 O ATOM 575 NE2 GLN A 35 19.480 0.151 7.020 1.00 2.07 N ATOM 0 H GLN A 35 17.644 -2.569 1.979 1.00 0.35 H new ATOM 0 HA GLN A 35 17.981 -3.841 4.405 1.00 0.43 H new ATOM 0 HB2 GLN A 35 18.882 -1.617 3.703 1.00 0.50 H new ATOM 0 HB3 GLN A 35 17.278 -0.932 3.874 1.00 0.50 H new ATOM 0 HG2 GLN A 35 17.309 -1.663 6.295 1.00 1.07 H new ATOM 0 HG3 GLN A 35 18.982 -2.136 6.074 1.00 1.07 H new ATOM 0 HE21 GLN A 35 19.789 -0.650 7.571 1.00 2.07 H new ATOM 0 HE22 GLN A 35 19.810 1.088 7.253 1.00 2.07 H new ATOM 584 N LEU A 36 15.062 -2.283 4.238 1.00 0.38 N ATOM 585 CA LEU A 36 13.725 -2.225 4.800 1.00 0.39 C ATOM 586 C LEU A 36 13.034 -3.585 4.727 1.00 0.38 C ATOM 587 O LEU A 36 12.576 -4.106 5.728 1.00 0.45 O ATOM 588 CB LEU A 36 12.907 -1.164 4.057 1.00 0.36 C ATOM 589 CG LEU A 36 11.493 -0.911 4.584 1.00 0.40 C ATOM 590 CD1 LEU A 36 11.080 0.516 4.293 1.00 0.45 C ATOM 591 CD2 LEU A 36 10.497 -1.869 3.954 1.00 0.40 C ATOM 0 H LEU A 36 15.241 -1.584 3.517 1.00 0.38 H new ATOM 0 HA LEU A 36 13.800 -1.953 5.853 1.00 0.39 H new ATOM 0 HB2 LEU A 36 13.457 -0.224 4.087 1.00 0.36 H new ATOM 0 HB3 LEU A 36 12.835 -1.458 3.010 1.00 0.36 H new ATOM 0 HG LEU A 36 11.498 -1.077 5.661 1.00 0.40 H new ATOM 0 HD11 LEU A 36 10.072 0.687 4.671 1.00 0.45 H new ATOM 0 HD12 LEU A 36 11.772 1.202 4.781 1.00 0.45 H new ATOM 0 HD13 LEU A 36 11.097 0.688 3.217 1.00 0.45 H new ATOM 0 HD21 LEU A 36 9.500 -1.667 4.346 1.00 0.40 H new ATOM 0 HD22 LEU A 36 10.496 -1.733 2.872 1.00 0.40 H new ATOM 0 HD23 LEU A 36 10.779 -2.895 4.191 1.00 0.40 H new ATOM 603 N LEU A 37 12.983 -4.162 3.545 1.00 0.34 N ATOM 604 CA LEU A 37 12.232 -5.391 3.329 1.00 0.35 C ATOM 605 C LEU A 37 12.755 -6.558 4.159 1.00 0.41 C ATOM 606 O LEU A 37 11.980 -7.252 4.812 1.00 0.45 O ATOM 607 CB LEU A 37 12.250 -5.765 1.854 1.00 0.34 C ATOM 608 CG LEU A 37 11.633 -4.728 0.921 1.00 0.30 C ATOM 609 CD1 LEU A 37 11.587 -5.242 -0.505 1.00 0.38 C ATOM 610 CD2 LEU A 37 10.245 -4.350 1.397 1.00 0.32 C ATOM 0 H LEU A 37 13.452 -3.802 2.714 1.00 0.34 H new ATOM 0 HA LEU A 37 11.210 -5.195 3.654 1.00 0.35 H new ATOM 0 HB2 LEU A 37 13.283 -5.937 1.550 1.00 0.34 H new ATOM 0 HB3 LEU A 37 11.719 -6.708 1.727 1.00 0.34 H new ATOM 0 HG LEU A 37 12.261 -3.837 0.938 1.00 0.30 H new ATOM 0 HD11 LEU A 37 11.143 -4.484 -1.151 1.00 0.38 H new ATOM 0 HD12 LEU A 37 12.599 -5.461 -0.846 1.00 0.38 H new ATOM 0 HD13 LEU A 37 10.986 -6.150 -0.545 1.00 0.38 H new ATOM 0 HD21 LEU A 37 9.818 -3.609 0.721 1.00 0.32 H new ATOM 0 HD22 LEU A 37 9.611 -5.237 1.411 1.00 0.32 H new ATOM 0 HD23 LEU A 37 10.306 -3.932 2.402 1.00 0.32 H new ATOM 622 N THR A 38 14.063 -6.764 4.143 1.00 0.45 N ATOM 623 CA THR A 38 14.658 -7.921 4.795 1.00 0.53 C ATOM 624 C THR A 38 14.462 -7.884 6.304 1.00 0.59 C ATOM 625 O THR A 38 14.305 -8.924 6.940 1.00 0.66 O ATOM 626 CB THR A 38 16.165 -8.032 4.488 1.00 0.55 C ATOM 627 OG1 THR A 38 16.818 -6.786 4.763 1.00 1.23 O ATOM 628 CG2 THR A 38 16.402 -8.425 3.041 1.00 1.03 C ATOM 0 H THR A 38 14.733 -6.145 3.686 1.00 0.45 H new ATOM 0 HA THR A 38 14.144 -8.794 4.393 1.00 0.53 H new ATOM 0 HB THR A 38 16.582 -8.809 5.129 1.00 0.55 H new ATOM 0 HG1 THR A 38 16.901 -6.270 3.934 1.00 1.23 H new ATOM 0 HG21 THR A 38 17.474 -8.496 2.854 1.00 1.03 H new ATOM 0 HG22 THR A 38 15.935 -9.390 2.845 1.00 1.03 H new ATOM 0 HG23 THR A 38 15.968 -7.672 2.384 1.00 1.03 H new ATOM 636 N LYS A 39 14.491 -6.692 6.876 1.00 0.58 N ATOM 637 CA LYS A 39 14.406 -6.555 8.322 1.00 0.66 C ATOM 638 C LYS A 39 12.987 -6.243 8.808 1.00 0.64 C ATOM 639 O LYS A 39 12.581 -6.696 9.879 1.00 0.72 O ATOM 640 CB LYS A 39 15.385 -5.492 8.815 1.00 0.72 C ATOM 641 CG LYS A 39 15.123 -4.115 8.242 1.00 0.68 C ATOM 642 CD LYS A 39 16.311 -3.182 8.422 1.00 0.73 C ATOM 643 CE LYS A 39 16.641 -2.978 9.893 1.00 0.87 C ATOM 644 NZ LYS A 39 15.514 -2.350 10.637 1.00 1.61 N ATOM 0 H LYS A 39 14.572 -5.812 6.367 1.00 0.58 H new ATOM 0 HA LYS A 39 14.678 -7.521 8.746 1.00 0.66 H new ATOM 0 HB2 LYS A 39 15.334 -5.440 9.903 1.00 0.72 H new ATOM 0 HB3 LYS A 39 16.399 -5.797 8.558 1.00 0.72 H new ATOM 0 HG2 LYS A 39 14.890 -4.203 7.181 1.00 0.68 H new ATOM 0 HG3 LYS A 39 14.247 -3.683 8.726 1.00 0.68 H new ATOM 0 HD2 LYS A 39 17.179 -3.593 7.907 1.00 0.73 H new ATOM 0 HD3 LYS A 39 16.092 -2.219 7.960 1.00 0.73 H new ATOM 0 HE2 LYS A 39 16.884 -3.939 10.347 1.00 0.87 H new ATOM 0 HE3 LYS A 39 17.528 -2.351 9.982 1.00 0.87 H new ATOM 0 HZ1 LYS A 39 15.811 -2.152 11.614 1.00 1.61 H new ATOM 0 HZ2 LYS A 39 15.242 -1.461 10.170 1.00 1.61 H new ATOM 0 HZ3 LYS A 39 14.701 -2.998 10.647 1.00 1.61 H new ATOM 658 N GLU A 40 12.232 -5.482 8.022 1.00 0.57 N ATOM 659 CA GLU A 40 10.944 -4.965 8.479 1.00 0.58 C ATOM 660 C GLU A 40 9.797 -5.860 8.012 1.00 0.56 C ATOM 661 O GLU A 40 8.818 -6.058 8.730 1.00 0.64 O ATOM 662 CB GLU A 40 10.723 -3.528 7.968 1.00 0.58 C ATOM 663 CG GLU A 40 11.853 -2.552 8.283 1.00 0.87 C ATOM 664 CD GLU A 40 12.167 -2.417 9.760 1.00 1.14 C ATOM 665 OE1 GLU A 40 12.973 -3.215 10.279 1.00 1.67 O ATOM 666 OE2 GLU A 40 11.657 -1.472 10.396 1.00 1.63 O ATOM 0 H GLU A 40 12.486 -5.210 7.072 1.00 0.57 H new ATOM 0 HA GLU A 40 10.958 -4.957 9.569 1.00 0.58 H new ATOM 0 HB2 GLU A 40 10.581 -3.560 6.888 1.00 0.58 H new ATOM 0 HB3 GLU A 40 9.799 -3.143 8.400 1.00 0.58 H new ATOM 0 HG2 GLU A 40 12.753 -2.876 7.760 1.00 0.87 H new ATOM 0 HG3 GLU A 40 11.590 -1.571 7.888 1.00 0.87 H new ATOM 673 N LEU A 41 9.929 -6.402 6.807 1.00 0.50 N ATOM 674 CA LEU A 41 8.876 -7.219 6.202 1.00 0.49 C ATOM 675 C LEU A 41 9.371 -8.652 6.031 1.00 0.52 C ATOM 676 O LEU A 41 8.915 -9.387 5.150 1.00 0.53 O ATOM 677 CB LEU A 41 8.457 -6.645 4.837 1.00 0.43 C ATOM 678 CG LEU A 41 7.582 -5.378 4.856 1.00 0.51 C ATOM 679 CD1 LEU A 41 8.264 -4.221 5.565 1.00 1.22 C ATOM 680 CD2 LEU A 41 7.235 -4.971 3.436 1.00 1.42 C ATOM 0 H LEU A 41 10.759 -6.291 6.224 1.00 0.50 H new ATOM 0 HA LEU A 41 8.008 -7.210 6.861 1.00 0.49 H new ATOM 0 HB2 LEU A 41 9.361 -6.425 4.269 1.00 0.43 H new ATOM 0 HB3 LEU A 41 7.919 -7.421 4.293 1.00 0.43 H new ATOM 0 HG LEU A 41 6.674 -5.617 5.410 1.00 0.51 H new ATOM 0 HD11 LEU A 41 7.609 -3.350 5.553 1.00 1.22 H new ATOM 0 HD12 LEU A 41 8.477 -4.501 6.597 1.00 1.22 H new ATOM 0 HD13 LEU A 41 9.197 -3.981 5.055 1.00 1.22 H new ATOM 0 HD21 LEU A 41 6.616 -4.074 3.456 1.00 1.42 H new ATOM 0 HD22 LEU A 41 8.151 -4.767 2.882 1.00 1.42 H new ATOM 0 HD23 LEU A 41 6.688 -5.779 2.949 1.00 1.42 H new ATOM 692 N ALA A 42 10.302 -9.026 6.902 1.00 0.58 N ATOM 693 CA ALA A 42 11.011 -10.306 6.827 1.00 0.64 C ATOM 694 C ALA A 42 10.086 -11.519 6.743 1.00 0.71 C ATOM 695 O ALA A 42 10.418 -12.513 6.092 1.00 0.78 O ATOM 696 CB ALA A 42 11.927 -10.457 8.030 1.00 0.71 C ATOM 0 H ALA A 42 10.591 -8.446 7.689 1.00 0.58 H new ATOM 0 HA ALA A 42 11.584 -10.283 5.900 1.00 0.64 H new ATOM 0 HB1 ALA A 42 12.452 -11.410 7.970 1.00 0.71 H new ATOM 0 HB2 ALA A 42 12.652 -9.643 8.040 1.00 0.71 H new ATOM 0 HB3 ALA A 42 11.335 -10.426 8.944 1.00 0.71 H new ATOM 702 N ASN A 43 8.939 -11.451 7.397 1.00 0.74 N ATOM 703 CA ASN A 43 8.064 -12.612 7.500 1.00 0.83 C ATOM 704 C ASN A 43 6.801 -12.421 6.667 1.00 0.83 C ATOM 705 O ASN A 43 5.865 -13.221 6.734 1.00 1.07 O ATOM 706 CB ASN A 43 7.708 -12.857 8.974 1.00 0.99 C ATOM 707 CG ASN A 43 7.158 -14.249 9.237 1.00 1.28 C ATOM 708 OD1 ASN A 43 5.946 -14.475 9.218 1.00 1.56 O ATOM 709 ND2 ASN A 43 8.047 -15.196 9.487 1.00 2.16 N ATOM 0 H ASN A 43 8.592 -10.612 7.862 1.00 0.74 H new ATOM 0 HA ASN A 43 8.589 -13.483 7.108 1.00 0.83 H new ATOM 0 HB2 ASN A 43 8.597 -12.704 9.585 1.00 0.99 H new ATOM 0 HB3 ASN A 43 6.972 -12.118 9.291 1.00 0.99 H new ATOM 0 HD21 ASN A 43 7.737 -16.150 9.672 1.00 2.16 H new ATOM 0 HD22 ASN A 43 9.042 -14.972 9.494 1.00 2.16 H new ATOM 716 N THR A 44 6.779 -11.380 5.853 1.00 0.65 N ATOM 717 CA THR A 44 5.578 -11.038 5.119 1.00 0.61 C ATOM 718 C THR A 44 5.695 -11.483 3.673 1.00 0.59 C ATOM 719 O THR A 44 4.953 -12.347 3.205 1.00 0.66 O ATOM 720 CB THR A 44 5.325 -9.525 5.156 1.00 0.56 C ATOM 721 OG1 THR A 44 5.779 -8.988 6.406 1.00 0.65 O ATOM 722 CG2 THR A 44 3.844 -9.228 4.977 1.00 0.53 C ATOM 0 H THR A 44 7.573 -10.763 5.686 1.00 0.65 H new ATOM 0 HA THR A 44 4.743 -11.552 5.594 1.00 0.61 H new ATOM 0 HB THR A 44 5.876 -9.059 4.339 1.00 0.56 H new ATOM 0 HG1 THR A 44 5.577 -9.621 7.127 1.00 0.65 H new ATOM 0 HG21 THR A 44 3.683 -8.150 5.006 1.00 0.53 H new ATOM 0 HG22 THR A 44 3.508 -9.620 4.017 1.00 0.53 H new ATOM 0 HG23 THR A 44 3.278 -9.701 5.780 1.00 0.53 H new ATOM 730 N ILE A 45 6.649 -10.896 2.980 1.00 0.52 N ATOM 731 CA ILE A 45 6.866 -11.176 1.580 1.00 0.52 C ATOM 732 C ILE A 45 7.661 -12.471 1.419 1.00 0.59 C ATOM 733 O ILE A 45 8.619 -12.707 2.156 1.00 0.60 O ATOM 734 CB ILE A 45 7.618 -10.006 0.924 1.00 0.43 C ATOM 735 CG1 ILE A 45 6.856 -8.687 1.137 1.00 0.39 C ATOM 736 CG2 ILE A 45 7.825 -10.274 -0.560 1.00 0.47 C ATOM 737 CD1 ILE A 45 7.544 -7.486 0.523 1.00 0.36 C ATOM 0 H ILE A 45 7.295 -10.212 3.374 1.00 0.52 H new ATOM 0 HA ILE A 45 5.901 -11.297 1.088 1.00 0.52 H new ATOM 0 HB ILE A 45 8.596 -9.915 1.396 1.00 0.43 H new ATOM 0 HG12 ILE A 45 5.857 -8.781 0.711 1.00 0.39 H new ATOM 0 HG13 ILE A 45 6.732 -8.517 2.206 1.00 0.39 H new ATOM 0 HG21 ILE A 45 8.359 -9.437 -1.010 1.00 0.47 H new ATOM 0 HG22 ILE A 45 8.408 -11.186 -0.687 1.00 0.47 H new ATOM 0 HG23 ILE A 45 6.857 -10.391 -1.047 1.00 0.47 H new ATOM 0 HD11 ILE A 45 6.951 -6.591 0.712 1.00 0.36 H new ATOM 0 HD12 ILE A 45 8.532 -7.367 0.967 1.00 0.36 H new ATOM 0 HD13 ILE A 45 7.644 -7.634 -0.552 1.00 0.36 H new ATOM 749 N LYS A 46 7.241 -13.319 0.474 1.00 0.67 N ATOM 750 CA LYS A 46 7.880 -14.616 0.267 1.00 0.73 C ATOM 751 C LYS A 46 9.371 -14.459 -0.007 1.00 0.68 C ATOM 752 O LYS A 46 9.769 -13.730 -0.921 1.00 0.63 O ATOM 753 CB LYS A 46 7.193 -15.391 -0.876 1.00 0.82 C ATOM 754 CG LYS A 46 7.542 -14.932 -2.291 1.00 0.79 C ATOM 755 CD LYS A 46 8.731 -15.713 -2.835 1.00 0.75 C ATOM 756 CE LYS A 46 9.094 -15.308 -4.253 1.00 0.88 C ATOM 757 NZ LYS A 46 9.168 -13.832 -4.420 1.00 1.61 N ATOM 0 H LYS A 46 6.463 -13.128 -0.157 1.00 0.67 H new ATOM 0 HA LYS A 46 7.768 -15.192 1.186 1.00 0.73 H new ATOM 0 HB2 LYS A 46 7.452 -16.446 -0.782 1.00 0.82 H new ATOM 0 HB3 LYS A 46 6.114 -15.314 -0.745 1.00 0.82 H new ATOM 0 HG2 LYS A 46 6.681 -15.069 -2.945 1.00 0.79 H new ATOM 0 HG3 LYS A 46 7.772 -13.867 -2.286 1.00 0.79 H new ATOM 0 HD2 LYS A 46 9.592 -15.557 -2.185 1.00 0.75 H new ATOM 0 HD3 LYS A 46 8.503 -16.779 -2.812 1.00 0.75 H new ATOM 0 HE2 LYS A 46 10.054 -15.750 -4.519 1.00 0.88 H new ATOM 0 HE3 LYS A 46 8.354 -15.712 -4.944 1.00 0.88 H new ATOM 0 HZ1 LYS A 46 9.955 -13.594 -5.057 1.00 1.61 H new ATOM 0 HZ2 LYS A 46 8.276 -13.483 -4.826 1.00 1.61 H new ATOM 0 HZ3 LYS A 46 9.325 -13.385 -3.494 1.00 1.61 H new ATOM 771 N ASN A 47 10.180 -15.135 0.812 1.00 0.71 N ATOM 772 CA ASN A 47 11.639 -15.124 0.687 1.00 0.67 C ATOM 773 C ASN A 47 12.141 -13.726 0.409 1.00 0.59 C ATOM 774 O ASN A 47 12.974 -13.498 -0.467 1.00 0.57 O ATOM 775 CB ASN A 47 12.091 -16.096 -0.398 1.00 0.69 C ATOM 776 CG ASN A 47 13.596 -16.271 -0.505 1.00 0.92 C ATOM 777 OD1 ASN A 47 14.115 -16.541 -1.589 1.00 1.48 O ATOM 778 ND2 ASN A 47 14.304 -16.156 0.609 1.00 1.24 N ATOM 0 H ASN A 47 9.840 -15.708 1.584 1.00 0.71 H new ATOM 0 HA ASN A 47 12.069 -15.452 1.634 1.00 0.67 H new ATOM 0 HB2 ASN A 47 11.638 -17.069 -0.207 1.00 0.69 H new ATOM 0 HB3 ASN A 47 11.710 -15.750 -1.359 1.00 0.69 H new ATOM 0 HD21 ASN A 47 15.315 -16.292 0.587 1.00 1.24 H new ATOM 0 HD22 ASN A 47 13.838 -15.931 1.488 1.00 1.24 H new ATOM 785 N ILE A 48 11.631 -12.788 1.181 1.00 0.55 N ATOM 786 CA ILE A 48 12.030 -11.401 1.066 1.00 0.48 C ATOM 787 C ILE A 48 13.492 -11.240 1.468 1.00 0.48 C ATOM 788 O ILE A 48 14.040 -10.139 1.491 1.00 0.43 O ATOM 789 CB ILE A 48 11.141 -10.499 1.945 1.00 0.46 C ATOM 790 CG1 ILE A 48 11.333 -9.027 1.582 1.00 0.40 C ATOM 791 CG2 ILE A 48 11.444 -10.724 3.418 1.00 0.52 C ATOM 792 CD1 ILE A 48 11.216 -8.752 0.099 1.00 0.38 C ATOM 0 H ILE A 48 10.932 -12.965 1.902 1.00 0.55 H new ATOM 0 HA ILE A 48 11.909 -11.097 0.026 1.00 0.48 H new ATOM 0 HB ILE A 48 10.100 -10.765 1.759 1.00 0.46 H new ATOM 0 HG12 ILE A 48 10.592 -8.430 2.114 1.00 0.40 H new ATOM 0 HG13 ILE A 48 12.314 -8.700 1.928 1.00 0.40 H new ATOM 0 HG21 ILE A 48 10.807 -10.079 4.023 1.00 0.52 H new ATOM 0 HG22 ILE A 48 11.253 -11.766 3.674 1.00 0.52 H new ATOM 0 HG23 ILE A 48 12.490 -10.489 3.614 1.00 0.52 H new ATOM 0 HD11 ILE A 48 11.363 -7.688 -0.086 1.00 0.38 H new ATOM 0 HD12 ILE A 48 11.974 -9.322 -0.438 1.00 0.38 H new ATOM 0 HD13 ILE A 48 10.226 -9.047 -0.249 1.00 0.38 H new ATOM 804 N LYS A 49 14.133 -12.359 1.765 1.00 0.56 N ATOM 805 CA LYS A 49 15.504 -12.324 2.218 1.00 0.57 C ATOM 806 C LYS A 49 16.431 -12.601 1.055 1.00 0.55 C ATOM 807 O LYS A 49 17.653 -12.594 1.197 1.00 0.56 O ATOM 808 CB LYS A 49 15.720 -13.328 3.345 1.00 0.65 C ATOM 809 CG LYS A 49 14.709 -13.182 4.465 1.00 0.73 C ATOM 810 CD LYS A 49 14.781 -11.806 5.107 1.00 0.72 C ATOM 811 CE LYS A 49 16.041 -11.624 5.942 1.00 0.82 C ATOM 812 NZ LYS A 49 16.085 -12.556 7.099 1.00 1.11 N ATOM 0 H LYS A 49 13.726 -13.292 1.700 1.00 0.56 H new ATOM 0 HA LYS A 49 15.727 -11.332 2.611 1.00 0.57 H new ATOM 0 HB2 LYS A 49 15.664 -14.339 2.941 1.00 0.65 H new ATOM 0 HB3 LYS A 49 16.724 -13.202 3.750 1.00 0.65 H new ATOM 0 HG2 LYS A 49 13.705 -13.350 4.074 1.00 0.73 H new ATOM 0 HG3 LYS A 49 14.889 -13.947 5.221 1.00 0.73 H new ATOM 0 HD2 LYS A 49 14.749 -11.043 4.330 1.00 0.72 H new ATOM 0 HD3 LYS A 49 13.905 -11.655 5.738 1.00 0.72 H new ATOM 0 HE2 LYS A 49 16.918 -11.785 5.314 1.00 0.82 H new ATOM 0 HE3 LYS A 49 16.091 -10.597 6.303 1.00 0.82 H new ATOM 0 HZ1 LYS A 49 16.798 -12.229 7.781 1.00 1.11 H new ATOM 0 HZ2 LYS A 49 15.153 -12.583 7.559 1.00 1.11 H new ATOM 0 HZ3 LYS A 49 16.335 -13.509 6.767 1.00 1.11 H new ATOM 826 N ASP A 50 15.833 -12.841 -0.101 1.00 0.55 N ATOM 827 CA ASP A 50 16.601 -13.081 -1.309 1.00 0.56 C ATOM 828 C ASP A 50 16.637 -11.839 -2.168 1.00 0.50 C ATOM 829 O ASP A 50 15.612 -11.204 -2.404 1.00 0.47 O ATOM 830 CB ASP A 50 16.023 -14.229 -2.128 1.00 0.62 C ATOM 831 CG ASP A 50 17.103 -14.944 -2.906 1.00 0.97 C ATOM 832 OD1 ASP A 50 17.600 -14.369 -3.890 1.00 1.58 O ATOM 833 OD2 ASP A 50 17.468 -16.080 -2.534 1.00 1.57 O ATOM 0 H ASP A 50 14.821 -12.874 -0.227 1.00 0.55 H new ATOM 0 HA ASP A 50 17.610 -13.348 -0.997 1.00 0.56 H new ATOM 0 HB2 ASP A 50 15.521 -14.934 -1.466 1.00 0.62 H new ATOM 0 HB3 ASP A 50 15.269 -13.845 -2.816 1.00 0.62 H new ATOM 838 N LYS A 51 17.827 -11.507 -2.645 1.00 0.50 N ATOM 839 CA LYS A 51 18.008 -10.362 -3.520 1.00 0.48 C ATOM 840 C LYS A 51 17.334 -10.608 -4.855 1.00 0.50 C ATOM 841 O LYS A 51 17.050 -9.670 -5.586 1.00 0.48 O ATOM 842 CB LYS A 51 19.487 -10.091 -3.751 1.00 0.53 C ATOM 843 CG LYS A 51 19.920 -8.664 -3.426 1.00 0.83 C ATOM 844 CD LYS A 51 19.253 -7.627 -4.328 1.00 0.60 C ATOM 845 CE LYS A 51 19.727 -7.723 -5.775 1.00 0.83 C ATOM 846 NZ LYS A 51 21.203 -7.588 -5.896 1.00 0.92 N ATOM 0 H LYS A 51 18.685 -12.018 -2.439 1.00 0.50 H new ATOM 0 HA LYS A 51 17.556 -9.495 -3.037 1.00 0.48 H new ATOM 0 HB2 LYS A 51 20.071 -10.783 -3.144 1.00 0.53 H new ATOM 0 HB3 LYS A 51 19.725 -10.302 -4.793 1.00 0.53 H new ATOM 0 HG2 LYS A 51 19.680 -8.443 -2.386 1.00 0.83 H new ATOM 0 HG3 LYS A 51 21.002 -8.585 -3.527 1.00 0.83 H new ATOM 0 HD2 LYS A 51 18.172 -7.761 -4.293 1.00 0.60 H new ATOM 0 HD3 LYS A 51 19.463 -6.628 -3.945 1.00 0.60 H new ATOM 0 HE2 LYS A 51 19.416 -8.680 -6.194 1.00 0.83 H new ATOM 0 HE3 LYS A 51 19.244 -6.945 -6.366 1.00 0.83 H new ATOM 0 HZ1 LYS A 51 21.453 -7.388 -6.885 1.00 0.92 H new ATOM 0 HZ2 LYS A 51 21.531 -6.808 -5.291 1.00 0.92 H new ATOM 0 HZ3 LYS A 51 21.658 -8.474 -5.596 1.00 0.92 H new ATOM 860 N ALA A 52 17.089 -11.874 -5.170 1.00 0.55 N ATOM 861 CA ALA A 52 16.370 -12.225 -6.381 1.00 0.60 C ATOM 862 C ALA A 52 14.920 -11.837 -6.214 1.00 0.58 C ATOM 863 O ALA A 52 14.271 -11.364 -7.142 1.00 0.60 O ATOM 864 CB ALA A 52 16.479 -13.712 -6.656 1.00 0.67 C ATOM 0 H ALA A 52 17.378 -12.671 -4.603 1.00 0.55 H new ATOM 0 HA ALA A 52 16.805 -11.691 -7.226 1.00 0.60 H new ATOM 0 HB1 ALA A 52 15.933 -13.954 -7.568 1.00 0.67 H new ATOM 0 HB2 ALA A 52 17.528 -13.984 -6.778 1.00 0.67 H new ATOM 0 HB3 ALA A 52 16.055 -14.269 -5.820 1.00 0.67 H new ATOM 870 N VAL A 53 14.438 -12.005 -4.996 1.00 0.54 N ATOM 871 CA VAL A 53 13.063 -11.681 -4.665 1.00 0.53 C ATOM 872 C VAL A 53 12.917 -10.181 -4.553 1.00 0.47 C ATOM 873 O VAL A 53 11.981 -9.583 -5.082 1.00 0.48 O ATOM 874 CB VAL A 53 12.623 -12.348 -3.342 1.00 0.53 C ATOM 875 CG1 VAL A 53 11.330 -11.738 -2.813 1.00 0.51 C ATOM 876 CG2 VAL A 53 12.456 -13.846 -3.527 1.00 0.60 C ATOM 0 H VAL A 53 14.984 -12.367 -4.214 1.00 0.54 H new ATOM 0 HA VAL A 53 12.422 -12.063 -5.459 1.00 0.53 H new ATOM 0 HB VAL A 53 13.408 -12.168 -2.607 1.00 0.53 H new ATOM 0 HG11 VAL A 53 11.050 -12.230 -1.882 1.00 0.51 H new ATOM 0 HG12 VAL A 53 11.478 -10.674 -2.630 1.00 0.51 H new ATOM 0 HG13 VAL A 53 10.537 -11.873 -3.548 1.00 0.51 H new ATOM 0 HG21 VAL A 53 12.146 -14.297 -2.584 1.00 0.60 H new ATOM 0 HG22 VAL A 53 11.698 -14.037 -4.287 1.00 0.60 H new ATOM 0 HG23 VAL A 53 13.404 -14.282 -3.843 1.00 0.60 H new ATOM 886 N ILE A 54 13.867 -9.584 -3.865 1.00 0.42 N ATOM 887 CA ILE A 54 13.926 -8.145 -3.730 1.00 0.36 C ATOM 888 C ILE A 54 14.043 -7.475 -5.088 1.00 0.38 C ATOM 889 O ILE A 54 13.445 -6.433 -5.332 1.00 0.38 O ATOM 890 CB ILE A 54 15.112 -7.759 -2.858 1.00 0.35 C ATOM 891 CG1 ILE A 54 14.873 -8.331 -1.467 1.00 0.37 C ATOM 892 CG2 ILE A 54 15.301 -6.243 -2.822 1.00 0.32 C ATOM 893 CD1 ILE A 54 15.956 -8.005 -0.480 1.00 0.38 C ATOM 0 H ILE A 54 14.618 -10.081 -3.385 1.00 0.42 H new ATOM 0 HA ILE A 54 13.003 -7.805 -3.261 1.00 0.36 H new ATOM 0 HB ILE A 54 16.033 -8.170 -3.271 1.00 0.35 H new ATOM 0 HG12 ILE A 54 13.924 -7.953 -1.088 1.00 0.37 H new ATOM 0 HG13 ILE A 54 14.778 -9.414 -1.542 1.00 0.37 H new ATOM 0 HG21 ILE A 54 16.156 -5.998 -2.191 1.00 0.32 H new ATOM 0 HG22 ILE A 54 15.478 -5.874 -3.832 1.00 0.32 H new ATOM 0 HG23 ILE A 54 14.404 -5.774 -2.417 1.00 0.32 H new ATOM 0 HD11 ILE A 54 15.713 -8.447 0.486 1.00 0.38 H new ATOM 0 HD12 ILE A 54 16.905 -8.407 -0.835 1.00 0.38 H new ATOM 0 HD13 ILE A 54 16.038 -6.923 -0.374 1.00 0.38 H new ATOM 905 N ASP A 55 14.809 -8.095 -5.968 1.00 0.43 N ATOM 906 CA ASP A 55 14.973 -7.611 -7.327 1.00 0.47 C ATOM 907 C ASP A 55 13.661 -7.673 -8.058 1.00 0.48 C ATOM 908 O ASP A 55 13.241 -6.711 -8.675 1.00 0.49 O ATOM 909 CB ASP A 55 15.983 -8.463 -8.065 1.00 0.55 C ATOM 910 CG ASP A 55 16.113 -8.084 -9.520 1.00 0.86 C ATOM 911 OD1 ASP A 55 16.843 -7.117 -9.810 1.00 1.44 O ATOM 912 OD2 ASP A 55 15.494 -8.751 -10.376 1.00 1.53 O ATOM 0 H ASP A 55 15.333 -8.945 -5.762 1.00 0.43 H new ATOM 0 HA ASP A 55 15.323 -6.580 -7.285 1.00 0.47 H new ATOM 0 HB2 ASP A 55 16.955 -8.368 -7.581 1.00 0.55 H new ATOM 0 HB3 ASP A 55 15.691 -9.511 -7.991 1.00 0.55 H new ATOM 917 N GLU A 56 13.030 -8.823 -7.973 1.00 0.51 N ATOM 918 CA GLU A 56 11.732 -9.040 -8.570 1.00 0.54 C ATOM 919 C GLU A 56 10.760 -7.921 -8.198 1.00 0.47 C ATOM 920 O GLU A 56 10.073 -7.365 -9.063 1.00 0.49 O ATOM 921 CB GLU A 56 11.208 -10.389 -8.104 1.00 0.58 C ATOM 922 CG GLU A 56 11.785 -11.565 -8.872 1.00 0.69 C ATOM 923 CD GLU A 56 11.439 -11.532 -10.345 1.00 1.06 C ATOM 924 OE1 GLU A 56 10.333 -11.988 -10.705 1.00 1.77 O ATOM 925 OE2 GLU A 56 12.271 -11.059 -11.150 1.00 1.66 O ATOM 0 H GLU A 56 13.405 -9.637 -7.486 1.00 0.51 H new ATOM 0 HA GLU A 56 11.825 -9.035 -9.656 1.00 0.54 H new ATOM 0 HB2 GLU A 56 11.435 -10.511 -7.045 1.00 0.58 H new ATOM 0 HB3 GLU A 56 10.122 -10.401 -8.201 1.00 0.58 H new ATOM 0 HG2 GLU A 56 12.869 -11.570 -8.758 1.00 0.69 H new ATOM 0 HG3 GLU A 56 11.415 -12.493 -8.437 1.00 0.69 H new ATOM 932 N ILE A 57 10.734 -7.563 -6.921 1.00 0.42 N ATOM 933 CA ILE A 57 9.854 -6.517 -6.445 1.00 0.39 C ATOM 934 C ILE A 57 10.339 -5.150 -6.901 1.00 0.36 C ATOM 935 O ILE A 57 9.598 -4.405 -7.530 1.00 0.37 O ATOM 936 CB ILE A 57 9.783 -6.540 -4.920 1.00 0.40 C ATOM 937 CG1 ILE A 57 9.349 -7.922 -4.435 1.00 0.48 C ATOM 938 CG2 ILE A 57 8.826 -5.476 -4.427 1.00 0.59 C ATOM 939 CD1 ILE A 57 9.401 -8.083 -2.935 1.00 1.00 C ATOM 0 H ILE A 57 11.316 -7.986 -6.198 1.00 0.42 H new ATOM 0 HA ILE A 57 8.863 -6.699 -6.861 1.00 0.39 H new ATOM 0 HB ILE A 57 10.773 -6.328 -4.515 1.00 0.40 H new ATOM 0 HG12 ILE A 57 8.332 -8.114 -4.777 1.00 0.48 H new ATOM 0 HG13 ILE A 57 9.988 -8.676 -4.895 1.00 0.48 H new ATOM 0 HG21 ILE A 57 8.783 -5.501 -3.338 1.00 0.59 H new ATOM 0 HG22 ILE A 57 9.172 -4.495 -4.754 1.00 0.59 H new ATOM 0 HG23 ILE A 57 7.832 -5.664 -4.834 1.00 0.59 H new ATOM 0 HD11 ILE A 57 9.079 -9.089 -2.666 1.00 1.00 H new ATOM 0 HD12 ILE A 57 10.422 -7.923 -2.587 1.00 1.00 H new ATOM 0 HD13 ILE A 57 8.740 -7.353 -2.468 1.00 1.00 H new ATOM 951 N PHE A 58 11.593 -4.848 -6.591 1.00 0.35 N ATOM 952 CA PHE A 58 12.212 -3.572 -6.938 1.00 0.36 C ATOM 953 C PHE A 58 12.022 -3.256 -8.411 1.00 0.41 C ATOM 954 O PHE A 58 11.569 -2.176 -8.773 1.00 0.44 O ATOM 955 CB PHE A 58 13.705 -3.626 -6.614 1.00 0.38 C ATOM 956 CG PHE A 58 14.470 -2.406 -7.033 1.00 0.52 C ATOM 957 CD1 PHE A 58 14.488 -1.273 -6.238 1.00 1.12 C ATOM 958 CD2 PHE A 58 15.177 -2.400 -8.221 1.00 1.52 C ATOM 959 CE1 PHE A 58 15.199 -0.156 -6.624 1.00 1.16 C ATOM 960 CE2 PHE A 58 15.887 -1.287 -8.610 1.00 1.68 C ATOM 961 CZ PHE A 58 15.898 -0.163 -7.811 1.00 0.93 C ATOM 0 H PHE A 58 12.214 -5.483 -6.089 1.00 0.35 H new ATOM 0 HA PHE A 58 11.733 -2.786 -6.355 1.00 0.36 H new ATOM 0 HB2 PHE A 58 13.827 -3.767 -5.540 1.00 0.38 H new ATOM 0 HB3 PHE A 58 14.140 -4.499 -7.101 1.00 0.38 H new ATOM 0 HD1 PHE A 58 13.940 -1.264 -5.307 1.00 1.12 H new ATOM 0 HD2 PHE A 58 15.172 -3.278 -8.850 1.00 1.52 H new ATOM 0 HE1 PHE A 58 15.208 0.723 -5.997 1.00 1.16 H new ATOM 0 HE2 PHE A 58 16.435 -1.294 -9.540 1.00 1.68 H new ATOM 0 HZ PHE A 58 16.454 0.711 -8.116 1.00 0.93 H new ATOM 971 N GLN A 59 12.362 -4.221 -9.242 1.00 0.45 N ATOM 972 CA GLN A 59 12.278 -4.079 -10.682 1.00 0.52 C ATOM 973 C GLN A 59 10.822 -4.033 -11.135 1.00 0.52 C ATOM 974 O GLN A 59 10.512 -3.560 -12.231 1.00 0.57 O ATOM 975 CB GLN A 59 13.013 -5.239 -11.354 1.00 0.58 C ATOM 976 CG GLN A 59 14.519 -5.243 -11.108 1.00 0.61 C ATOM 977 CD GLN A 59 15.298 -5.733 -12.313 1.00 1.10 C ATOM 978 OE1 GLN A 59 14.809 -6.543 -13.101 1.00 1.92 O ATOM 979 NE2 GLN A 59 16.517 -5.246 -12.465 1.00 1.63 N ATOM 0 H GLN A 59 12.706 -5.131 -8.936 1.00 0.45 H new ATOM 0 HA GLN A 59 12.750 -3.141 -10.974 1.00 0.52 H new ATOM 0 HB2 GLN A 59 12.594 -6.179 -10.995 1.00 0.58 H new ATOM 0 HB3 GLN A 59 12.830 -5.198 -12.428 1.00 0.58 H new ATOM 0 HG2 GLN A 59 14.846 -4.235 -10.852 1.00 0.61 H new ATOM 0 HG3 GLN A 59 14.743 -5.878 -10.251 1.00 0.61 H new ATOM 0 HE21 GLN A 59 16.886 -4.576 -11.790 1.00 1.63 H new ATOM 0 HE22 GLN A 59 17.088 -5.540 -13.257 1.00 1.63 H new ATOM 988 N GLY A 60 9.932 -4.539 -10.289 1.00 0.48 N ATOM 989 CA GLY A 60 8.510 -4.430 -10.546 1.00 0.49 C ATOM 990 C GLY A 60 7.980 -3.036 -10.252 1.00 0.47 C ATOM 991 O GLY A 60 6.951 -2.631 -10.793 1.00 0.53 O ATOM 0 H GLY A 60 10.173 -5.025 -9.425 1.00 0.48 H new ATOM 0 HA2 GLY A 60 8.310 -4.681 -11.588 1.00 0.49 H new ATOM 0 HA3 GLY A 60 7.975 -5.157 -9.935 1.00 0.49 H new ATOM 995 N LEU A 61 8.676 -2.300 -9.388 1.00 0.42 N ATOM 996 CA LEU A 61 8.286 -0.934 -9.066 1.00 0.44 C ATOM 997 C LEU A 61 9.035 0.007 -9.989 1.00 0.51 C ATOM 998 O LEU A 61 8.476 0.957 -10.537 1.00 0.58 O ATOM 999 CB LEU A 61 8.609 -0.592 -7.601 1.00 0.39 C ATOM 1000 CG LEU A 61 8.704 -1.786 -6.651 1.00 0.34 C ATOM 1001 CD1 LEU A 61 9.358 -1.370 -5.344 1.00 0.31 C ATOM 1002 CD2 LEU A 61 7.327 -2.384 -6.391 1.00 0.35 C ATOM 0 H LEU A 61 9.510 -2.628 -8.901 1.00 0.42 H new ATOM 0 HA LEU A 61 7.210 -0.829 -9.201 1.00 0.44 H new ATOM 0 HB2 LEU A 61 9.555 -0.051 -7.573 1.00 0.39 H new ATOM 0 HB3 LEU A 61 7.843 0.087 -7.227 1.00 0.39 H new ATOM 0 HG LEU A 61 9.322 -2.550 -7.123 1.00 0.34 H new ATOM 0 HD11 LEU A 61 9.419 -2.230 -4.678 1.00 0.31 H new ATOM 0 HD12 LEU A 61 10.361 -0.993 -5.543 1.00 0.31 H new ATOM 0 HD13 LEU A 61 8.764 -0.587 -4.873 1.00 0.31 H new ATOM 0 HD21 LEU A 61 7.421 -3.232 -5.712 1.00 0.35 H new ATOM 0 HD22 LEU A 61 6.682 -1.629 -5.942 1.00 0.35 H new ATOM 0 HD23 LEU A 61 6.892 -2.719 -7.333 1.00 0.35 H new ATOM 1014 N ASP A 62 10.312 -0.289 -10.163 1.00 0.50 N ATOM 1015 CA ASP A 62 11.168 0.457 -11.063 1.00 0.59 C ATOM 1016 C ASP A 62 10.946 -0.005 -12.493 1.00 0.70 C ATOM 1017 O ASP A 62 11.770 -0.703 -13.079 1.00 0.75 O ATOM 1018 CB ASP A 62 12.633 0.280 -10.667 1.00 0.57 C ATOM 1019 CG ASP A 62 13.588 1.014 -11.592 1.00 0.64 C ATOM 1020 OD1 ASP A 62 13.218 2.086 -12.121 1.00 1.11 O ATOM 1021 OD2 ASP A 62 14.705 0.508 -11.812 1.00 1.40 O ATOM 0 H ASP A 62 10.783 -1.055 -9.682 1.00 0.50 H new ATOM 0 HA ASP A 62 10.917 1.515 -10.994 1.00 0.59 H new ATOM 0 HB2 ASP A 62 12.775 0.639 -9.648 1.00 0.57 H new ATOM 0 HB3 ASP A 62 12.879 -0.782 -10.668 1.00 0.57 H new ATOM 1026 N ALA A 63 9.811 0.383 -13.045 1.00 0.78 N ATOM 1027 CA ALA A 63 9.464 0.034 -14.413 1.00 0.94 C ATOM 1028 C ALA A 63 10.356 0.775 -15.398 1.00 1.12 C ATOM 1029 O ALA A 63 10.455 0.407 -16.567 1.00 1.30 O ATOM 1030 CB ALA A 63 7.998 0.343 -14.675 1.00 0.99 C ATOM 0 H ALA A 63 9.108 0.944 -12.564 1.00 0.78 H new ATOM 0 HA ALA A 63 9.624 -1.035 -14.552 1.00 0.94 H new ATOM 0 HB1 ALA A 63 7.748 0.078 -15.702 1.00 0.99 H new ATOM 0 HB2 ALA A 63 7.377 -0.234 -13.990 1.00 0.99 H new ATOM 0 HB3 ALA A 63 7.817 1.407 -14.520 1.00 0.99 H new ATOM 1036 N ASN A 64 11.014 1.820 -14.911 1.00 1.09 N ATOM 1037 CA ASN A 64 11.927 2.605 -15.730 1.00 1.28 C ATOM 1038 C ASN A 64 13.244 1.849 -15.903 1.00 1.21 C ATOM 1039 O ASN A 64 14.005 2.096 -16.838 1.00 1.37 O ATOM 1040 CB ASN A 64 12.179 3.967 -15.068 1.00 1.34 C ATOM 1041 CG ASN A 64 12.673 5.050 -16.024 1.00 2.03 C ATOM 1042 OD1 ASN A 64 12.406 6.233 -15.809 1.00 2.55 O ATOM 1043 ND2 ASN A 64 13.397 4.672 -17.065 1.00 2.80 N ATOM 0 H ASN A 64 10.931 2.144 -13.947 1.00 1.09 H new ATOM 0 HA ASN A 64 11.482 2.768 -16.712 1.00 1.28 H new ATOM 0 HB2 ASN A 64 11.255 4.306 -14.600 1.00 1.34 H new ATOM 0 HB3 ASN A 64 12.912 3.840 -14.271 1.00 1.34 H new ATOM 0 HD21 ASN A 64 13.753 5.369 -17.719 1.00 2.80 H new ATOM 0 HD22 ASN A 64 13.600 3.683 -17.213 1.00 2.80 H new ATOM 1050 N GLN A 65 13.477 0.903 -14.990 1.00 1.03 N ATOM 1051 CA GLN A 65 14.678 0.071 -14.986 1.00 1.05 C ATOM 1052 C GLN A 65 15.931 0.928 -14.854 1.00 1.04 C ATOM 1053 O GLN A 65 16.952 0.671 -15.494 1.00 1.17 O ATOM 1054 CB GLN A 65 14.748 -0.800 -16.244 1.00 1.31 C ATOM 1055 CG GLN A 65 13.581 -1.766 -16.377 1.00 1.37 C ATOM 1056 CD GLN A 65 13.431 -2.674 -15.172 1.00 2.03 C ATOM 1057 OE1 GLN A 65 14.409 -3.016 -14.503 1.00 2.72 O ATOM 1058 NE2 GLN A 65 12.202 -3.069 -14.885 1.00 2.57 N ATOM 0 H GLN A 65 12.832 0.693 -14.228 1.00 1.03 H new ATOM 0 HA GLN A 65 14.624 -0.590 -14.121 1.00 1.05 H new ATOM 0 HB2 GLN A 65 14.778 -0.155 -17.122 1.00 1.31 H new ATOM 0 HB3 GLN A 65 15.679 -1.366 -16.233 1.00 1.31 H new ATOM 0 HG2 GLN A 65 12.660 -1.200 -16.516 1.00 1.37 H new ATOM 0 HG3 GLN A 65 13.719 -2.375 -17.270 1.00 1.37 H new ATOM 0 HE21 GLN A 65 11.420 -2.763 -15.464 1.00 2.57 H new ATOM 0 HE22 GLN A 65 12.036 -3.679 -14.085 1.00 2.57 H new ATOM 1067 N ASP A 66 15.848 1.937 -14.001 1.00 0.93 N ATOM 1068 CA ASP A 66 16.951 2.871 -13.809 1.00 0.95 C ATOM 1069 C ASP A 66 17.657 2.582 -12.489 1.00 0.81 C ATOM 1070 O ASP A 66 18.614 3.260 -12.115 1.00 0.82 O ATOM 1071 CB ASP A 66 16.428 4.311 -13.836 1.00 1.06 C ATOM 1072 CG ASP A 66 17.539 5.337 -13.933 1.00 1.42 C ATOM 1073 OD1 ASP A 66 18.213 5.386 -14.985 1.00 2.13 O ATOM 1074 OD2 ASP A 66 17.744 6.104 -12.967 1.00 1.89 O ATOM 0 H ASP A 66 15.027 2.132 -13.428 1.00 0.93 H new ATOM 0 HA ASP A 66 17.669 2.747 -14.620 1.00 0.95 H new ATOM 0 HB2 ASP A 66 15.753 4.432 -14.683 1.00 1.06 H new ATOM 0 HB3 ASP A 66 15.845 4.498 -12.934 1.00 1.06 H new ATOM 1079 N GLU A 67 17.167 1.554 -11.801 1.00 0.73 N ATOM 1080 CA GLU A 67 17.685 1.133 -10.503 1.00 0.63 C ATOM 1081 C GLU A 67 17.401 2.213 -9.461 1.00 0.58 C ATOM 1082 O GLU A 67 18.194 2.459 -8.549 1.00 0.60 O ATOM 1083 CB GLU A 67 19.181 0.789 -10.573 1.00 0.68 C ATOM 1084 CG GLU A 67 19.671 -0.036 -9.389 1.00 0.97 C ATOM 1085 CD GLU A 67 21.118 -0.457 -9.520 1.00 1.42 C ATOM 1086 OE1 GLU A 67 22.005 0.335 -9.145 1.00 2.02 O ATOM 1087 OE2 GLU A 67 21.376 -1.586 -9.988 1.00 2.01 O ATOM 0 H GLU A 67 16.390 0.983 -12.134 1.00 0.73 H new ATOM 0 HA GLU A 67 17.172 0.219 -10.204 1.00 0.63 H new ATOM 0 HB2 GLU A 67 19.377 0.240 -11.494 1.00 0.68 H new ATOM 0 HB3 GLU A 67 19.756 1.713 -10.625 1.00 0.68 H new ATOM 0 HG2 GLU A 67 19.548 0.544 -8.474 1.00 0.97 H new ATOM 0 HG3 GLU A 67 19.047 -0.924 -9.290 1.00 0.97 H new ATOM 1094 N GLN A 68 16.238 2.836 -9.610 1.00 0.61 N ATOM 1095 CA GLN A 68 15.796 3.906 -8.726 1.00 0.65 C ATOM 1096 C GLN A 68 14.290 3.811 -8.494 1.00 0.66 C ATOM 1097 O GLN A 68 13.509 3.926 -9.437 1.00 0.78 O ATOM 1098 CB GLN A 68 16.113 5.268 -9.356 1.00 0.85 C ATOM 1099 CG GLN A 68 17.592 5.622 -9.402 1.00 1.38 C ATOM 1100 CD GLN A 68 18.126 6.058 -8.055 1.00 1.63 C ATOM 1101 OE1 GLN A 68 18.631 5.252 -7.274 1.00 2.16 O ATOM 1102 NE2 GLN A 68 18.005 7.344 -7.766 1.00 2.07 N ATOM 0 H GLN A 68 15.573 2.612 -10.350 1.00 0.61 H new ATOM 0 HA GLN A 68 16.319 3.806 -7.775 1.00 0.65 H new ATOM 0 HB2 GLN A 68 15.719 5.283 -10.372 1.00 0.85 H new ATOM 0 HB3 GLN A 68 15.586 6.042 -8.798 1.00 0.85 H new ATOM 0 HG2 GLN A 68 18.158 4.759 -9.751 1.00 1.38 H new ATOM 0 HG3 GLN A 68 17.749 6.421 -10.127 1.00 1.38 H new ATOM 0 HE21 GLN A 68 17.580 7.981 -8.441 1.00 2.07 H new ATOM 0 HE22 GLN A 68 18.336 7.698 -6.869 1.00 2.07 H new ATOM 1111 N VAL A 69 13.876 3.598 -7.253 1.00 0.59 N ATOM 1112 CA VAL A 69 12.464 3.633 -6.919 1.00 0.64 C ATOM 1113 C VAL A 69 12.151 4.849 -6.057 1.00 0.64 C ATOM 1114 O VAL A 69 12.790 5.084 -5.035 1.00 0.68 O ATOM 1115 CB VAL A 69 11.992 2.347 -6.199 1.00 0.72 C ATOM 1116 CG1 VAL A 69 12.032 1.162 -7.149 1.00 1.81 C ATOM 1117 CG2 VAL A 69 12.826 2.063 -4.957 1.00 1.22 C ATOM 0 H VAL A 69 14.495 3.401 -6.467 1.00 0.59 H new ATOM 0 HA VAL A 69 11.920 3.700 -7.861 1.00 0.64 H new ATOM 0 HB VAL A 69 10.963 2.506 -5.877 1.00 0.72 H new ATOM 0 HG11 VAL A 69 11.697 0.266 -6.627 1.00 1.81 H new ATOM 0 HG12 VAL A 69 11.376 1.354 -7.998 1.00 1.81 H new ATOM 0 HG13 VAL A 69 13.052 1.015 -7.505 1.00 1.81 H new ATOM 0 HG21 VAL A 69 12.466 1.153 -4.477 1.00 1.22 H new ATOM 0 HG22 VAL A 69 13.870 1.935 -5.242 1.00 1.22 H new ATOM 0 HG23 VAL A 69 12.739 2.898 -4.262 1.00 1.22 H new ATOM 1127 N ASP A 70 11.195 5.646 -6.501 1.00 0.67 N ATOM 1128 CA ASP A 70 10.738 6.789 -5.727 1.00 0.73 C ATOM 1129 C ASP A 70 9.862 6.299 -4.580 1.00 0.64 C ATOM 1130 O ASP A 70 9.508 5.122 -4.546 1.00 0.56 O ATOM 1131 CB ASP A 70 9.959 7.760 -6.628 1.00 0.84 C ATOM 1132 CG ASP A 70 9.494 9.009 -5.906 1.00 1.38 C ATOM 1133 OD1 ASP A 70 10.258 9.995 -5.863 1.00 1.99 O ATOM 1134 OD2 ASP A 70 8.363 9.010 -5.374 1.00 2.02 O ATOM 0 H ASP A 70 10.719 5.523 -7.395 1.00 0.67 H new ATOM 0 HA ASP A 70 11.597 7.321 -5.317 1.00 0.73 H new ATOM 0 HB2 ASP A 70 10.589 8.049 -7.469 1.00 0.84 H new ATOM 0 HB3 ASP A 70 9.092 7.244 -7.042 1.00 0.84 H new ATOM 1139 N PHE A 71 9.509 7.173 -3.649 1.00 0.70 N ATOM 1140 CA PHE A 71 8.610 6.804 -2.563 1.00 0.66 C ATOM 1141 C PHE A 71 7.291 6.272 -3.121 1.00 0.55 C ATOM 1142 O PHE A 71 6.633 5.441 -2.502 1.00 0.48 O ATOM 1143 CB PHE A 71 8.349 8.002 -1.649 1.00 0.82 C ATOM 1144 CG PHE A 71 9.566 8.459 -0.894 1.00 1.12 C ATOM 1145 CD1 PHE A 71 10.432 9.390 -1.441 1.00 1.92 C ATOM 1146 CD2 PHE A 71 9.843 7.954 0.366 1.00 1.50 C ATOM 1147 CE1 PHE A 71 11.551 9.809 -0.749 1.00 2.17 C ATOM 1148 CE2 PHE A 71 10.961 8.369 1.064 1.00 1.76 C ATOM 1149 CZ PHE A 71 11.815 9.298 0.506 1.00 1.76 C ATOM 0 H PHE A 71 9.830 8.141 -3.623 1.00 0.70 H new ATOM 0 HA PHE A 71 9.086 6.018 -1.977 1.00 0.66 H new ATOM 0 HB2 PHE A 71 7.971 8.830 -2.248 1.00 0.82 H new ATOM 0 HB3 PHE A 71 7.566 7.741 -0.937 1.00 0.82 H new ATOM 0 HD1 PHE A 71 10.230 9.794 -2.422 1.00 1.92 H new ATOM 0 HD2 PHE A 71 9.177 7.227 0.808 1.00 1.50 H new ATOM 0 HE1 PHE A 71 12.219 10.535 -1.189 1.00 2.17 H new ATOM 0 HE2 PHE A 71 11.166 7.967 2.045 1.00 1.76 H new ATOM 0 HZ PHE A 71 12.689 9.625 1.050 1.00 1.76 H new ATOM 1159 N GLN A 72 6.918 6.761 -4.299 1.00 0.59 N ATOM 1160 CA GLN A 72 5.730 6.286 -4.996 1.00 0.56 C ATOM 1161 C GLN A 72 5.914 4.853 -5.506 1.00 0.49 C ATOM 1162 O GLN A 72 5.006 4.031 -5.422 1.00 0.47 O ATOM 1163 CB GLN A 72 5.418 7.220 -6.160 1.00 0.69 C ATOM 1164 CG GLN A 72 4.196 6.809 -6.950 1.00 0.74 C ATOM 1165 CD GLN A 72 3.952 7.713 -8.134 1.00 1.08 C ATOM 1166 OE1 GLN A 72 3.248 8.719 -8.022 1.00 1.66 O ATOM 1167 NE2 GLN A 72 4.541 7.373 -9.268 1.00 1.66 N ATOM 0 H GLN A 72 7.427 7.493 -4.794 1.00 0.59 H new ATOM 0 HA GLN A 72 4.898 6.282 -4.292 1.00 0.56 H new ATOM 0 HB2 GLN A 72 5.271 8.230 -5.776 1.00 0.69 H new ATOM 0 HB3 GLN A 72 6.278 7.255 -6.828 1.00 0.69 H new ATOM 0 HG2 GLN A 72 4.318 5.783 -7.297 1.00 0.74 H new ATOM 0 HG3 GLN A 72 3.322 6.823 -6.298 1.00 0.74 H new ATOM 0 HE21 GLN A 72 5.115 6.531 -9.312 1.00 1.66 H new ATOM 0 HE22 GLN A 72 4.422 7.953 -10.099 1.00 1.66 H new ATOM 1176 N GLU A 73 7.086 4.554 -6.040 1.00 0.49 N ATOM 1177 CA GLU A 73 7.385 3.198 -6.488 1.00 0.46 C ATOM 1178 C GLU A 73 7.576 2.284 -5.283 1.00 0.36 C ATOM 1179 O GLU A 73 7.220 1.109 -5.315 1.00 0.32 O ATOM 1180 CB GLU A 73 8.618 3.177 -7.394 1.00 0.56 C ATOM 1181 CG GLU A 73 8.334 3.602 -8.828 1.00 0.78 C ATOM 1182 CD GLU A 73 7.640 4.945 -8.939 1.00 1.15 C ATOM 1183 OE1 GLU A 73 8.316 5.978 -8.772 1.00 1.82 O ATOM 1184 OE2 GLU A 73 6.418 4.968 -9.207 1.00 1.99 O ATOM 0 H GLU A 73 7.843 5.224 -6.175 1.00 0.49 H new ATOM 0 HA GLU A 73 6.543 2.831 -7.074 1.00 0.46 H new ATOM 0 HB2 GLU A 73 9.378 3.836 -6.973 1.00 0.56 H new ATOM 0 HB3 GLU A 73 9.036 2.171 -7.399 1.00 0.56 H new ATOM 0 HG2 GLU A 73 9.274 3.642 -9.379 1.00 0.78 H new ATOM 0 HG3 GLU A 73 7.716 2.843 -9.307 1.00 0.78 H new ATOM 1191 N PHE A 74 8.116 2.845 -4.212 1.00 0.37 N ATOM 1192 CA PHE A 74 8.222 2.139 -2.944 1.00 0.34 C ATOM 1193 C PHE A 74 6.821 1.933 -2.368 1.00 0.32 C ATOM 1194 O PHE A 74 6.582 1.046 -1.552 1.00 0.33 O ATOM 1195 CB PHE A 74 9.089 2.945 -1.973 1.00 0.43 C ATOM 1196 CG PHE A 74 9.940 2.106 -1.060 1.00 0.78 C ATOM 1197 CD1 PHE A 74 9.365 1.322 -0.074 1.00 1.44 C ATOM 1198 CD2 PHE A 74 11.320 2.110 -1.188 1.00 1.31 C ATOM 1199 CE1 PHE A 74 10.148 0.557 0.767 1.00 1.92 C ATOM 1200 CE2 PHE A 74 12.109 1.348 -0.347 1.00 1.77 C ATOM 1201 CZ PHE A 74 11.522 0.572 0.632 1.00 1.89 C ATOM 0 H PHE A 74 8.490 3.794 -4.196 1.00 0.37 H new ATOM 0 HA PHE A 74 8.691 1.167 -3.099 1.00 0.34 H new ATOM 0 HB2 PHE A 74 9.737 3.608 -2.547 1.00 0.43 H new ATOM 0 HB3 PHE A 74 8.442 3.579 -1.367 1.00 0.43 H new ATOM 0 HD1 PHE A 74 8.291 1.309 0.038 1.00 1.44 H new ATOM 0 HD2 PHE A 74 11.784 2.715 -1.953 1.00 1.31 H new ATOM 0 HE1 PHE A 74 9.686 -0.053 1.530 1.00 1.92 H new ATOM 0 HE2 PHE A 74 13.183 1.360 -0.456 1.00 1.77 H new ATOM 0 HZ PHE A 74 12.137 -0.023 1.292 1.00 1.89 H new ATOM 1211 N ILE A 75 5.895 2.758 -2.830 1.00 0.33 N ATOM 1212 CA ILE A 75 4.495 2.638 -2.475 1.00 0.35 C ATOM 1213 C ILE A 75 3.902 1.415 -3.157 1.00 0.34 C ATOM 1214 O ILE A 75 3.059 0.711 -2.593 1.00 0.36 O ATOM 1215 CB ILE A 75 3.736 3.931 -2.857 1.00 0.41 C ATOM 1216 CG1 ILE A 75 3.522 4.776 -1.617 1.00 0.49 C ATOM 1217 CG2 ILE A 75 2.417 3.642 -3.545 1.00 0.45 C ATOM 1218 CD1 ILE A 75 3.210 6.216 -1.908 1.00 0.67 C ATOM 0 H ILE A 75 6.097 3.531 -3.464 1.00 0.33 H new ATOM 0 HA ILE A 75 4.397 2.507 -1.397 1.00 0.35 H new ATOM 0 HB ILE A 75 4.347 4.481 -3.573 1.00 0.41 H new ATOM 0 HG12 ILE A 75 2.706 4.348 -1.034 1.00 0.49 H new ATOM 0 HG13 ILE A 75 4.417 4.727 -0.997 1.00 0.49 H new ATOM 0 HG21 ILE A 75 1.922 4.581 -3.793 1.00 0.45 H new ATOM 0 HG22 ILE A 75 2.599 3.076 -4.458 1.00 0.45 H new ATOM 0 HG23 ILE A 75 1.779 3.061 -2.879 1.00 0.45 H new ATOM 0 HD11 ILE A 75 3.070 6.755 -0.971 1.00 0.67 H new ATOM 0 HD12 ILE A 75 4.035 6.662 -2.463 1.00 0.67 H new ATOM 0 HD13 ILE A 75 2.298 6.278 -2.501 1.00 0.67 H new ATOM 1230 N SER A 76 4.375 1.151 -4.367 1.00 0.34 N ATOM 1231 CA SER A 76 4.016 -0.060 -5.070 1.00 0.36 C ATOM 1232 C SER A 76 4.554 -1.268 -4.304 1.00 0.31 C ATOM 1233 O SER A 76 3.906 -2.301 -4.235 1.00 0.33 O ATOM 1234 CB SER A 76 4.570 -0.024 -6.493 1.00 0.45 C ATOM 1235 OG SER A 76 4.125 1.136 -7.179 1.00 0.74 O ATOM 0 H SER A 76 5.009 1.765 -4.878 1.00 0.34 H new ATOM 0 HA SER A 76 2.931 -0.140 -5.133 1.00 0.36 H new ATOM 0 HB2 SER A 76 5.660 -0.039 -6.464 1.00 0.45 H new ATOM 0 HB3 SER A 76 4.253 -0.916 -7.034 1.00 0.45 H new ATOM 0 HG SER A 76 4.493 1.140 -8.087 1.00 0.74 H new ATOM 1241 N LEU A 77 5.730 -1.109 -3.701 1.00 0.28 N ATOM 1242 CA LEU A 77 6.316 -2.147 -2.853 1.00 0.26 C ATOM 1243 C LEU A 77 5.332 -2.550 -1.764 1.00 0.23 C ATOM 1244 O LEU A 77 5.100 -3.734 -1.527 1.00 0.23 O ATOM 1245 CB LEU A 77 7.641 -1.633 -2.242 1.00 0.30 C ATOM 1246 CG LEU A 77 8.277 -2.458 -1.102 1.00 0.38 C ATOM 1247 CD1 LEU A 77 7.595 -2.199 0.238 1.00 1.11 C ATOM 1248 CD2 LEU A 77 8.267 -3.941 -1.434 1.00 1.15 C ATOM 0 H LEU A 77 6.299 -0.267 -3.784 1.00 0.28 H new ATOM 0 HA LEU A 77 6.532 -3.029 -3.456 1.00 0.26 H new ATOM 0 HB2 LEU A 77 8.372 -1.554 -3.046 1.00 0.30 H new ATOM 0 HB3 LEU A 77 7.468 -0.624 -1.869 1.00 0.30 H new ATOM 0 HG LEU A 77 9.313 -2.133 -1.008 1.00 0.38 H new ATOM 0 HD11 LEU A 77 8.074 -2.799 1.012 1.00 1.11 H new ATOM 0 HD12 LEU A 77 7.682 -1.143 0.492 1.00 1.11 H new ATOM 0 HD13 LEU A 77 6.541 -2.470 0.168 1.00 1.11 H new ATOM 0 HD21 LEU A 77 8.720 -4.500 -0.615 1.00 1.15 H new ATOM 0 HD22 LEU A 77 7.239 -4.275 -1.576 1.00 1.15 H new ATOM 0 HD23 LEU A 77 8.834 -4.113 -2.349 1.00 1.15 H new ATOM 1260 N VAL A 78 4.747 -1.555 -1.114 1.00 0.24 N ATOM 1261 CA VAL A 78 3.826 -1.805 -0.019 1.00 0.25 C ATOM 1262 C VAL A 78 2.605 -2.543 -0.531 1.00 0.27 C ATOM 1263 O VAL A 78 2.035 -3.362 0.166 1.00 0.28 O ATOM 1264 CB VAL A 78 3.374 -0.505 0.661 1.00 0.29 C ATOM 1265 CG1 VAL A 78 2.713 -0.809 1.991 1.00 0.33 C ATOM 1266 CG2 VAL A 78 4.549 0.445 0.833 1.00 0.31 C ATOM 0 H VAL A 78 4.894 -0.568 -1.327 1.00 0.24 H new ATOM 0 HA VAL A 78 4.355 -2.409 0.718 1.00 0.25 H new ATOM 0 HB VAL A 78 2.639 -0.013 0.024 1.00 0.29 H new ATOM 0 HG11 VAL A 78 2.398 0.122 2.462 1.00 0.33 H new ATOM 0 HG12 VAL A 78 1.844 -1.446 1.828 1.00 0.33 H new ATOM 0 HG13 VAL A 78 3.422 -1.322 2.641 1.00 0.33 H new ATOM 0 HG21 VAL A 78 4.209 1.361 1.317 1.00 0.31 H new ATOM 0 HG22 VAL A 78 5.313 -0.029 1.450 1.00 0.31 H new ATOM 0 HG23 VAL A 78 4.969 0.685 -0.144 1.00 0.31 H new ATOM 1276 N ALA A 79 2.224 -2.249 -1.763 1.00 0.31 N ATOM 1277 CA ALA A 79 1.127 -2.946 -2.413 1.00 0.35 C ATOM 1278 C ALA A 79 1.451 -4.435 -2.551 1.00 0.33 C ATOM 1279 O ALA A 79 0.623 -5.301 -2.260 1.00 0.33 O ATOM 1280 CB ALA A 79 0.865 -2.320 -3.774 1.00 0.43 C ATOM 0 H ALA A 79 2.662 -1.528 -2.336 1.00 0.31 H new ATOM 0 HA ALA A 79 0.228 -2.853 -1.804 1.00 0.35 H new ATOM 0 HB1 ALA A 79 0.042 -2.842 -4.262 1.00 0.43 H new ATOM 0 HB2 ALA A 79 0.604 -1.269 -3.647 1.00 0.43 H new ATOM 0 HB3 ALA A 79 1.761 -2.399 -4.389 1.00 0.43 H new ATOM 1286 N ILE A 80 2.673 -4.710 -2.986 1.00 0.32 N ATOM 1287 CA ILE A 80 3.198 -6.071 -3.088 1.00 0.32 C ATOM 1288 C ILE A 80 3.222 -6.732 -1.715 1.00 0.28 C ATOM 1289 O ILE A 80 2.867 -7.900 -1.565 1.00 0.31 O ATOM 1290 CB ILE A 80 4.628 -6.053 -3.695 1.00 0.34 C ATOM 1291 CG1 ILE A 80 4.580 -5.929 -5.225 1.00 0.38 C ATOM 1292 CG2 ILE A 80 5.419 -7.288 -3.291 1.00 0.36 C ATOM 1293 CD1 ILE A 80 3.787 -4.742 -5.735 1.00 0.40 C ATOM 0 H ILE A 80 3.335 -3.992 -3.281 1.00 0.32 H new ATOM 0 HA ILE A 80 2.545 -6.646 -3.744 1.00 0.32 H new ATOM 0 HB ILE A 80 5.137 -5.177 -3.294 1.00 0.34 H new ATOM 0 HG12 ILE A 80 5.600 -5.858 -5.603 1.00 0.38 H new ATOM 0 HG13 ILE A 80 4.150 -6.842 -5.638 1.00 0.38 H new ATOM 0 HG21 ILE A 80 6.414 -7.243 -3.733 1.00 0.36 H new ATOM 0 HG22 ILE A 80 5.505 -7.326 -2.205 1.00 0.36 H new ATOM 0 HG23 ILE A 80 4.905 -8.181 -3.645 1.00 0.36 H new ATOM 0 HD11 ILE A 80 3.806 -4.733 -6.825 1.00 0.40 H new ATOM 0 HD12 ILE A 80 2.756 -4.819 -5.391 1.00 0.40 H new ATOM 0 HD13 ILE A 80 4.228 -3.820 -5.356 1.00 0.40 H new ATOM 1305 N ALA A 81 3.622 -5.962 -0.719 1.00 0.23 N ATOM 1306 CA ALA A 81 3.707 -6.447 0.644 1.00 0.23 C ATOM 1307 C ALA A 81 2.322 -6.695 1.235 1.00 0.23 C ATOM 1308 O ALA A 81 2.132 -7.613 2.026 1.00 0.28 O ATOM 1309 CB ALA A 81 4.483 -5.458 1.485 1.00 0.24 C ATOM 0 H ALA A 81 3.896 -4.986 -0.833 1.00 0.23 H new ATOM 0 HA ALA A 81 4.231 -7.403 0.641 1.00 0.23 H new ATOM 0 HB1 ALA A 81 4.547 -5.823 2.510 1.00 0.24 H new ATOM 0 HB2 ALA A 81 5.487 -5.343 1.078 1.00 0.24 H new ATOM 0 HB3 ALA A 81 3.975 -4.494 1.474 1.00 0.24 H new ATOM 1315 N LEU A 82 1.365 -5.867 0.847 1.00 0.22 N ATOM 1316 CA LEU A 82 -0.018 -6.030 1.262 1.00 0.23 C ATOM 1317 C LEU A 82 -0.616 -7.272 0.615 1.00 0.24 C ATOM 1318 O LEU A 82 -1.376 -8.017 1.243 1.00 0.29 O ATOM 1319 CB LEU A 82 -0.832 -4.799 0.877 1.00 0.25 C ATOM 1320 CG LEU A 82 -0.492 -3.515 1.633 1.00 0.26 C ATOM 1321 CD1 LEU A 82 -1.245 -2.346 1.035 1.00 0.33 C ATOM 1322 CD2 LEU A 82 -0.829 -3.661 3.106 1.00 0.31 C ATOM 0 H LEU A 82 1.525 -5.065 0.237 1.00 0.22 H new ATOM 0 HA LEU A 82 -0.047 -6.147 2.345 1.00 0.23 H new ATOM 0 HB2 LEU A 82 -0.698 -4.617 -0.189 1.00 0.25 H new ATOM 0 HB3 LEU A 82 -1.888 -5.021 1.032 1.00 0.25 H new ATOM 0 HG LEU A 82 0.578 -3.329 1.541 1.00 0.26 H new ATOM 0 HD11 LEU A 82 -0.996 -1.436 1.580 1.00 0.33 H new ATOM 0 HD12 LEU A 82 -0.965 -2.230 -0.012 1.00 0.33 H new ATOM 0 HD13 LEU A 82 -2.317 -2.530 1.105 1.00 0.33 H new ATOM 0 HD21 LEU A 82 -0.581 -2.738 3.629 1.00 0.31 H new ATOM 0 HD22 LEU A 82 -1.894 -3.866 3.217 1.00 0.31 H new ATOM 0 HD23 LEU A 82 -0.255 -4.484 3.531 1.00 0.31 H new ATOM 1334 N LYS A 83 -0.279 -7.483 -0.655 1.00 0.26 N ATOM 1335 CA LYS A 83 -0.634 -8.717 -1.333 1.00 0.33 C ATOM 1336 C LYS A 83 -0.019 -9.886 -0.588 1.00 0.31 C ATOM 1337 O LYS A 83 -0.698 -10.840 -0.264 1.00 0.44 O ATOM 1338 CB LYS A 83 -0.148 -8.722 -2.786 1.00 0.42 C ATOM 1339 CG LYS A 83 -1.083 -8.080 -3.806 1.00 0.66 C ATOM 1340 CD LYS A 83 -2.497 -8.652 -3.769 1.00 1.04 C ATOM 1341 CE LYS A 83 -2.562 -10.107 -4.191 1.00 0.80 C ATOM 1342 NZ LYS A 83 -2.060 -10.316 -5.577 1.00 1.67 N ATOM 0 H LYS A 83 0.237 -6.816 -1.229 1.00 0.26 H new ATOM 0 HA LYS A 83 -1.721 -8.802 -1.344 1.00 0.33 H new ATOM 0 HB2 LYS A 83 0.812 -8.208 -2.829 1.00 0.42 H new ATOM 0 HB3 LYS A 83 0.030 -9.755 -3.085 1.00 0.42 H new ATOM 0 HG2 LYS A 83 -1.127 -7.006 -3.623 1.00 0.66 H new ATOM 0 HG3 LYS A 83 -0.669 -8.216 -4.805 1.00 0.66 H new ATOM 0 HD2 LYS A 83 -2.895 -8.555 -2.759 1.00 1.04 H new ATOM 0 HD3 LYS A 83 -3.139 -8.061 -4.423 1.00 1.04 H new ATOM 0 HE2 LYS A 83 -1.974 -10.710 -3.499 1.00 0.80 H new ATOM 0 HE3 LYS A 83 -3.592 -10.457 -4.123 1.00 0.80 H new ATOM 0 HZ1 LYS A 83 -2.278 -11.286 -5.883 1.00 1.67 H new ATOM 0 HZ2 LYS A 83 -2.520 -9.639 -6.219 1.00 1.67 H new ATOM 0 HZ3 LYS A 83 -1.031 -10.170 -5.599 1.00 1.67 H new ATOM 1356 N ALA A 84 1.265 -9.781 -0.292 1.00 0.31 N ATOM 1357 CA ALA A 84 1.975 -10.810 0.453 1.00 0.35 C ATOM 1358 C ALA A 84 1.402 -10.997 1.859 1.00 0.33 C ATOM 1359 O ALA A 84 1.618 -12.027 2.479 1.00 0.40 O ATOM 1360 CB ALA A 84 3.455 -10.479 0.527 1.00 0.48 C ATOM 0 H ALA A 84 1.844 -8.985 -0.559 1.00 0.31 H new ATOM 0 HA ALA A 84 1.843 -11.751 -0.081 1.00 0.35 H new ATOM 0 HB1 ALA A 84 3.974 -11.257 1.087 1.00 0.48 H new ATOM 0 HB2 ALA A 84 3.866 -10.422 -0.481 1.00 0.48 H new ATOM 0 HB3 ALA A 84 3.589 -9.520 1.028 1.00 0.48 H new ATOM 1366 N ALA A 85 0.707 -9.989 2.370 1.00 0.30 N ATOM 1367 CA ALA A 85 0.131 -10.062 3.706 1.00 0.38 C ATOM 1368 C ALA A 85 -1.177 -10.857 3.724 1.00 0.44 C ATOM 1369 O ALA A 85 -1.321 -11.793 4.508 1.00 0.57 O ATOM 1370 CB ALA A 85 -0.084 -8.664 4.263 1.00 0.43 C ATOM 0 H ALA A 85 0.529 -9.112 1.880 1.00 0.30 H new ATOM 0 HA ALA A 85 0.839 -10.593 4.342 1.00 0.38 H new ATOM 0 HB1 ALA A 85 -0.515 -8.733 5.262 1.00 0.43 H new ATOM 0 HB2 ALA A 85 0.872 -8.142 4.315 1.00 0.43 H new ATOM 0 HB3 ALA A 85 -0.763 -8.113 3.612 1.00 0.43 H new ATOM 1376 N HIS A 86 -2.134 -10.489 2.874 1.00 0.44 N ATOM 1377 CA HIS A 86 -3.434 -11.167 2.866 1.00 0.59 C ATOM 1378 C HIS A 86 -3.377 -12.424 1.997 1.00 0.63 C ATOM 1379 O HIS A 86 -3.944 -13.462 2.324 1.00 0.72 O ATOM 1380 CB HIS A 86 -4.546 -10.208 2.391 1.00 0.69 C ATOM 1381 CG HIS A 86 -4.882 -10.260 0.926 1.00 1.28 C ATOM 1382 ND1 HIS A 86 -5.818 -11.125 0.404 1.00 2.06 N ATOM 1383 CD2 HIS A 86 -4.417 -9.539 -0.123 1.00 2.11 C ATOM 1384 CE1 HIS A 86 -5.913 -10.940 -0.896 1.00 2.66 C ATOM 1385 NE2 HIS A 86 -5.075 -9.981 -1.245 1.00 2.68 N ATOM 0 H HIS A 86 -2.039 -9.737 2.191 1.00 0.44 H new ATOM 0 HA HIS A 86 -3.672 -11.473 3.885 1.00 0.59 H new ATOM 0 HB2 HIS A 86 -5.451 -10.424 2.959 1.00 0.69 H new ATOM 0 HB3 HIS A 86 -4.250 -9.189 2.639 1.00 0.69 H new ATOM 0 HD2 HIS A 86 -3.668 -8.762 -0.084 1.00 2.11 H new ATOM 0 HE1 HIS A 86 -6.566 -11.481 -1.564 1.00 2.66 H new ATOM 0 HE2 HIS A 86 -4.939 -9.627 -2.192 1.00 2.68 H new ATOM 1394 N TYR A 87 -2.673 -12.292 0.892 1.00 0.58 N ATOM 1395 CA TYR A 87 -2.438 -13.367 -0.064 1.00 0.65 C ATOM 1396 C TYR A 87 -1.164 -14.117 0.332 1.00 0.62 C ATOM 1397 O TYR A 87 -0.454 -14.646 -0.521 1.00 0.66 O ATOM 1398 CB TYR A 87 -2.355 -12.817 -1.497 1.00 0.69 C ATOM 1399 CG TYR A 87 -2.451 -13.870 -2.577 1.00 0.87 C ATOM 1400 CD1 TYR A 87 -3.634 -14.562 -2.797 1.00 1.62 C ATOM 1401 CD2 TYR A 87 -1.358 -14.170 -3.379 1.00 1.44 C ATOM 1402 CE1 TYR A 87 -3.724 -15.524 -3.783 1.00 1.80 C ATOM 1403 CE2 TYR A 87 -1.441 -15.129 -4.367 1.00 1.55 C ATOM 1404 CZ TYR A 87 -2.625 -15.804 -4.566 1.00 1.29 C ATOM 1405 OH TYR A 87 -2.707 -16.767 -5.547 1.00 1.52 O ATOM 0 H TYR A 87 -2.234 -11.412 0.622 1.00 0.58 H new ATOM 0 HA TYR A 87 -3.275 -14.065 -0.044 1.00 0.65 H new ATOM 0 HB2 TYR A 87 -3.156 -12.092 -1.642 1.00 0.69 H new ATOM 0 HB3 TYR A 87 -1.414 -12.280 -1.613 1.00 0.69 H new ATOM 0 HD1 TYR A 87 -4.498 -14.344 -2.187 1.00 1.62 H new ATOM 0 HD2 TYR A 87 -0.427 -13.644 -3.227 1.00 1.44 H new ATOM 0 HE1 TYR A 87 -4.651 -16.055 -3.940 1.00 1.80 H new ATOM 0 HE2 TYR A 87 -0.581 -15.350 -4.982 1.00 1.55 H new ATOM 0 HH TYR A 87 -1.845 -16.839 -6.007 1.00 1.52 H new ATOM 1415 N HIS A 88 -0.833 -14.007 1.629 1.00 0.59 N ATOM 1416 CA HIS A 88 0.370 -14.585 2.275 1.00 0.62 C ATOM 1417 C HIS A 88 0.632 -16.075 1.958 1.00 0.69 C ATOM 1418 O HIS A 88 1.343 -16.753 2.700 1.00 0.75 O ATOM 1419 CB HIS A 88 0.240 -14.400 3.799 1.00 0.65 C ATOM 1420 CG HIS A 88 1.518 -14.579 4.574 1.00 1.54 C ATOM 1421 ND1 HIS A 88 1.720 -15.610 5.466 1.00 2.37 N ATOM 1422 CD2 HIS A 88 2.650 -13.838 4.604 1.00 2.40 C ATOM 1423 CE1 HIS A 88 2.917 -15.496 6.007 1.00 3.25 C ATOM 1424 NE2 HIS A 88 3.503 -14.428 5.502 1.00 3.26 N ATOM 0 H HIS A 88 -1.417 -13.493 2.289 1.00 0.59 H new ATOM 0 HA HIS A 88 1.226 -14.050 1.864 1.00 0.62 H new ATOM 0 HB2 HIS A 88 -0.150 -13.401 3.996 1.00 0.65 H new ATOM 0 HB3 HIS A 88 -0.497 -15.110 4.174 1.00 0.65 H new ATOM 0 HD2 HIS A 88 2.846 -12.946 4.027 1.00 2.40 H new ATOM 0 HE1 HIS A 88 3.345 -16.164 6.740 1.00 3.25 H new ATOM 0 HE2 HIS A 88 4.437 -14.095 5.740 1.00 3.26 H new ATOM 1433 N THR A 89 0.065 -16.594 0.889 1.00 0.73 N ATOM 1434 CA THR A 89 0.384 -17.932 0.445 1.00 0.81 C ATOM 1435 C THR A 89 1.754 -17.910 -0.217 1.00 0.72 C ATOM 1436 O THR A 89 2.504 -18.876 -0.129 1.00 1.05 O ATOM 1437 CB THR A 89 -0.680 -18.484 -0.536 1.00 0.97 C ATOM 1438 OG1 THR A 89 -0.297 -19.781 -1.009 1.00 1.26 O ATOM 1439 CG2 THR A 89 -0.878 -17.553 -1.723 1.00 0.89 C ATOM 0 H THR A 89 -0.620 -16.107 0.311 1.00 0.73 H new ATOM 0 HA THR A 89 0.392 -18.595 1.310 1.00 0.81 H new ATOM 0 HB THR A 89 -1.621 -18.556 0.009 1.00 0.97 H new ATOM 0 HG1 THR A 89 -0.979 -20.118 -1.627 1.00 1.26 H new ATOM 0 HG21 THR A 89 -1.631 -17.971 -2.391 1.00 0.89 H new ATOM 0 HG22 THR A 89 -1.209 -16.577 -1.369 1.00 0.89 H new ATOM 0 HG23 THR A 89 0.064 -17.444 -2.261 1.00 0.89 H new ATOM 1447 N HIS A 90 2.073 -16.766 -0.838 1.00 0.65 N ATOM 1448 CA HIS A 90 3.351 -16.530 -1.514 1.00 0.64 C ATOM 1449 C HIS A 90 3.351 -15.155 -2.171 1.00 0.93 C ATOM 1450 O HIS A 90 4.226 -14.330 -1.917 1.00 1.77 O ATOM 1451 CB HIS A 90 3.641 -17.573 -2.612 1.00 0.91 C ATOM 1452 CG HIS A 90 4.430 -18.766 -2.162 1.00 1.72 C ATOM 1453 ND1 HIS A 90 4.012 -20.063 -2.369 1.00 2.44 N ATOM 1454 CD2 HIS A 90 5.621 -18.856 -1.524 1.00 2.68 C ATOM 1455 CE1 HIS A 90 4.908 -20.897 -1.876 1.00 3.33 C ATOM 1456 NE2 HIS A 90 5.893 -20.189 -1.359 1.00 3.47 N ATOM 0 H HIS A 90 1.439 -15.968 -0.884 1.00 0.65 H new ATOM 0 HA HIS A 90 4.121 -16.603 -0.746 1.00 0.64 H new ATOM 0 HB2 HIS A 90 2.692 -17.918 -3.024 1.00 0.91 H new ATOM 0 HB3 HIS A 90 4.181 -17.084 -3.423 1.00 0.91 H new ATOM 0 HD2 HIS A 90 6.241 -18.031 -1.205 1.00 2.68 H new ATOM 0 HE1 HIS A 90 4.845 -21.975 -1.893 1.00 3.33 H new ATOM 0 HE2 HIS A 90 6.724 -20.572 -0.909 1.00 3.47 H new ATOM 1578 N GLU B 5 5.351 -5.513 10.034 1.00 1.20 N ATOM 1579 CA GLU B 5 4.298 -5.850 9.094 1.00 0.94 C ATOM 1580 C GLU B 5 2.924 -5.570 9.697 1.00 0.69 C ATOM 1581 O GLU B 5 1.903 -5.811 9.062 1.00 0.69 O ATOM 1582 CB GLU B 5 4.405 -7.313 8.656 1.00 1.39 C ATOM 1583 CG GLU B 5 4.486 -8.304 9.804 1.00 1.80 C ATOM 1584 CD GLU B 5 4.462 -9.743 9.328 1.00 2.48 C ATOM 1585 OE1 GLU B 5 5.494 -10.228 8.821 1.00 3.10 O ATOM 1586 OE2 GLU B 5 3.404 -10.398 9.460 1.00 3.00 O ATOM 0 HA GLU B 5 4.420 -5.221 8.212 1.00 0.94 H new ATOM 0 HB2 GLU B 5 3.541 -7.560 8.039 1.00 1.39 H new ATOM 0 HB3 GLU B 5 5.289 -7.429 8.028 1.00 1.39 H new ATOM 0 HG2 GLU B 5 5.401 -8.127 10.370 1.00 1.80 H new ATOM 0 HG3 GLU B 5 3.652 -8.136 10.485 1.00 1.80 H new ATOM 1593 N GLU B 6 2.908 -5.048 10.924 1.00 0.68 N ATOM 1594 CA GLU B 6 1.673 -4.604 11.563 1.00 0.67 C ATOM 1595 C GLU B 6 0.989 -3.542 10.709 1.00 0.54 C ATOM 1596 O GLU B 6 -0.231 -3.390 10.730 1.00 0.60 O ATOM 1597 CB GLU B 6 1.974 -4.025 12.945 1.00 0.78 C ATOM 1598 CG GLU B 6 0.747 -3.486 13.663 1.00 1.06 C ATOM 1599 CD GLU B 6 1.104 -2.546 14.791 1.00 1.78 C ATOM 1600 OE1 GLU B 6 1.311 -1.344 14.519 1.00 2.48 O ATOM 1601 OE2 GLU B 6 1.179 -2.994 15.951 1.00 2.51 O ATOM 0 H GLU B 6 3.743 -4.923 11.496 1.00 0.68 H new ATOM 0 HA GLU B 6 1.011 -5.463 11.667 1.00 0.67 H new ATOM 0 HB2 GLU B 6 2.434 -4.798 13.561 1.00 0.78 H new ATOM 0 HB3 GLU B 6 2.705 -3.223 12.842 1.00 0.78 H new ATOM 0 HG2 GLU B 6 0.111 -2.965 12.948 1.00 1.06 H new ATOM 0 HG3 GLU B 6 0.166 -4.319 14.059 1.00 1.06 H new ATOM 1608 N HIS B 7 1.786 -2.802 9.954 1.00 0.42 N ATOM 1609 CA HIS B 7 1.252 -1.778 9.077 1.00 0.38 C ATOM 1610 C HIS B 7 0.594 -2.433 7.866 1.00 0.35 C ATOM 1611 O HIS B 7 -0.529 -2.085 7.503 1.00 0.39 O ATOM 1612 CB HIS B 7 2.348 -0.800 8.647 1.00 0.43 C ATOM 1613 CG HIS B 7 3.015 -0.094 9.795 1.00 0.95 C ATOM 1614 ND1 HIS B 7 2.349 0.760 10.651 1.00 1.73 N ATOM 1615 CD2 HIS B 7 4.298 -0.128 10.231 1.00 1.60 C ATOM 1616 CE1 HIS B 7 3.190 1.218 11.558 1.00 2.16 C ATOM 1617 NE2 HIS B 7 4.378 0.696 11.326 1.00 2.03 N ATOM 0 H HIS B 7 2.802 -2.893 9.932 1.00 0.42 H new ATOM 0 HA HIS B 7 0.499 -1.206 9.619 1.00 0.38 H new ATOM 0 HB2 HIS B 7 3.103 -1.342 8.078 1.00 0.43 H new ATOM 0 HB3 HIS B 7 1.916 -0.057 7.977 1.00 0.43 H new ATOM 0 HD2 HIS B 7 5.107 -0.697 9.798 1.00 1.60 H new ATOM 0 HE1 HIS B 7 2.947 1.904 12.356 1.00 2.16 H new ATOM 0 HE2 HIS B 7 5.221 0.875 11.872 1.00 2.03 H new ATOM 1626 N LEU B 8 1.292 -3.399 7.267 1.00 0.34 N ATOM 1627 CA LEU B 8 0.736 -4.202 6.177 1.00 0.33 C ATOM 1628 C LEU B 8 -0.507 -4.955 6.636 1.00 0.34 C ATOM 1629 O LEU B 8 -1.599 -4.775 6.096 1.00 0.34 O ATOM 1630 CB LEU B 8 1.772 -5.215 5.695 1.00 0.33 C ATOM 1631 CG LEU B 8 3.080 -4.614 5.184 1.00 0.33 C ATOM 1632 CD1 LEU B 8 4.043 -5.705 4.775 1.00 0.33 C ATOM 1633 CD2 LEU B 8 2.818 -3.668 4.024 1.00 0.33 C ATOM 0 H LEU B 8 2.249 -3.645 7.520 1.00 0.34 H new ATOM 0 HA LEU B 8 0.466 -3.526 5.366 1.00 0.33 H new ATOM 0 HB2 LEU B 8 2.000 -5.896 6.515 1.00 0.33 H new ATOM 0 HB3 LEU B 8 1.329 -5.812 4.898 1.00 0.33 H new ATOM 0 HG LEU B 8 3.534 -4.043 5.994 1.00 0.33 H new ATOM 0 HD11 LEU B 8 4.969 -5.257 4.414 1.00 0.33 H new ATOM 0 HD12 LEU B 8 4.259 -6.341 5.634 1.00 0.33 H new ATOM 0 HD13 LEU B 8 3.597 -6.305 3.982 1.00 0.33 H new ATOM 0 HD21 LEU B 8 3.762 -3.251 3.675 1.00 0.33 H new ATOM 0 HD22 LEU B 8 2.339 -4.213 3.211 1.00 0.33 H new ATOM 0 HD23 LEU B 8 2.164 -2.861 4.354 1.00 0.33 H new ATOM 1645 N GLU B 9 -0.331 -5.785 7.654 1.00 0.37 N ATOM 1646 CA GLU B 9 -1.391 -6.650 8.140 1.00 0.40 C ATOM 1647 C GLU B 9 -2.528 -5.828 8.740 1.00 0.40 C ATOM 1648 O GLU B 9 -3.673 -6.265 8.769 1.00 0.42 O ATOM 1649 CB GLU B 9 -0.840 -7.624 9.181 1.00 0.48 C ATOM 1650 CG GLU B 9 -1.766 -8.792 9.465 1.00 1.24 C ATOM 1651 CD GLU B 9 -1.312 -9.621 10.648 1.00 1.72 C ATOM 1652 OE1 GLU B 9 -0.467 -10.521 10.464 1.00 2.16 O ATOM 1653 OE2 GLU B 9 -1.796 -9.368 11.772 1.00 2.41 O ATOM 0 H GLU B 9 0.548 -5.876 8.163 1.00 0.37 H new ATOM 0 HA GLU B 9 -1.785 -7.217 7.297 1.00 0.40 H new ATOM 0 HB2 GLU B 9 0.120 -8.007 8.836 1.00 0.48 H new ATOM 0 HB3 GLU B 9 -0.653 -7.084 10.109 1.00 0.48 H new ATOM 0 HG2 GLU B 9 -2.771 -8.416 9.654 1.00 1.24 H new ATOM 0 HG3 GLU B 9 -1.824 -9.428 8.582 1.00 1.24 H new ATOM 1660 N GLY B 10 -2.202 -4.633 9.216 1.00 0.41 N ATOM 1661 CA GLY B 10 -3.213 -3.740 9.744 1.00 0.43 C ATOM 1662 C GLY B 10 -4.117 -3.206 8.654 1.00 0.39 C ATOM 1663 O GLY B 10 -5.303 -2.969 8.876 1.00 0.44 O ATOM 0 H GLY B 10 -1.251 -4.266 9.245 1.00 0.41 H new ATOM 0 HA2 GLY B 10 -3.812 -4.268 10.487 1.00 0.43 H new ATOM 0 HA3 GLY B 10 -2.731 -2.908 10.256 1.00 0.43 H new ATOM 1667 N ILE B 11 -3.552 -3.012 7.473 1.00 0.34 N ATOM 1668 CA ILE B 11 -4.338 -2.643 6.308 1.00 0.33 C ATOM 1669 C ILE B 11 -5.185 -3.836 5.876 1.00 0.33 C ATOM 1670 O ILE B 11 -6.341 -3.698 5.487 1.00 0.38 O ATOM 1671 CB ILE B 11 -3.433 -2.182 5.145 1.00 0.36 C ATOM 1672 CG1 ILE B 11 -2.740 -0.859 5.488 1.00 0.41 C ATOM 1673 CG2 ILE B 11 -4.231 -2.045 3.863 1.00 0.50 C ATOM 1674 CD1 ILE B 11 -3.691 0.306 5.668 1.00 1.16 C ATOM 0 H ILE B 11 -2.552 -3.104 7.296 1.00 0.34 H new ATOM 0 HA ILE B 11 -4.986 -1.808 6.574 1.00 0.33 H new ATOM 0 HB ILE B 11 -2.667 -2.942 4.992 1.00 0.36 H new ATOM 0 HG12 ILE B 11 -2.164 -0.989 6.404 1.00 0.41 H new ATOM 0 HG13 ILE B 11 -2.030 -0.617 4.697 1.00 0.41 H new ATOM 0 HG21 ILE B 11 -3.573 -1.719 3.058 1.00 0.50 H new ATOM 0 HG22 ILE B 11 -4.672 -3.008 3.604 1.00 0.50 H new ATOM 0 HG23 ILE B 11 -5.023 -1.309 4.004 1.00 0.50 H new ATOM 0 HD11 ILE B 11 -3.124 1.205 5.909 1.00 1.16 H new ATOM 0 HD12 ILE B 11 -4.250 0.465 4.746 1.00 1.16 H new ATOM 0 HD13 ILE B 11 -4.385 0.087 6.479 1.00 1.16 H new ATOM 1686 N VAL B 12 -4.603 -5.016 5.984 1.00 0.33 N ATOM 1687 CA VAL B 12 -5.320 -6.252 5.709 1.00 0.38 C ATOM 1688 C VAL B 12 -6.451 -6.453 6.727 1.00 0.40 C ATOM 1689 O VAL B 12 -7.476 -7.074 6.431 1.00 0.46 O ATOM 1690 CB VAL B 12 -4.346 -7.452 5.727 1.00 0.45 C ATOM 1691 CG1 VAL B 12 -5.080 -8.773 5.572 1.00 0.57 C ATOM 1692 CG2 VAL B 12 -3.309 -7.294 4.628 1.00 0.48 C ATOM 0 H VAL B 12 -3.630 -5.147 6.262 1.00 0.33 H new ATOM 0 HA VAL B 12 -5.764 -6.185 4.716 1.00 0.38 H new ATOM 0 HB VAL B 12 -3.847 -7.465 6.696 1.00 0.45 H new ATOM 0 HG11 VAL B 12 -4.362 -9.593 5.589 1.00 0.57 H new ATOM 0 HG12 VAL B 12 -5.788 -8.894 6.391 1.00 0.57 H new ATOM 0 HG13 VAL B 12 -5.617 -8.782 4.624 1.00 0.57 H new ATOM 0 HG21 VAL B 12 -2.626 -8.143 4.647 1.00 0.48 H new ATOM 0 HG22 VAL B 12 -3.808 -7.251 3.660 1.00 0.48 H new ATOM 0 HG23 VAL B 12 -2.747 -6.374 4.787 1.00 0.48 H new ATOM 1702 N ASN B 13 -6.265 -5.887 7.914 1.00 0.42 N ATOM 1703 CA ASN B 13 -7.263 -5.958 8.975 1.00 0.49 C ATOM 1704 C ASN B 13 -8.489 -5.127 8.607 1.00 0.48 C ATOM 1705 O ASN B 13 -9.624 -5.576 8.768 1.00 0.59 O ATOM 1706 CB ASN B 13 -6.664 -5.470 10.301 1.00 0.62 C ATOM 1707 CG ASN B 13 -7.524 -5.800 11.512 1.00 0.75 C ATOM 1708 OD1 ASN B 13 -8.746 -5.895 11.425 1.00 1.31 O ATOM 1709 ND2 ASN B 13 -6.885 -5.982 12.656 1.00 1.42 N ATOM 0 H ASN B 13 -5.424 -5.369 8.167 1.00 0.42 H new ATOM 0 HA ASN B 13 -7.572 -6.996 9.094 1.00 0.49 H new ATOM 0 HB2 ASN B 13 -5.679 -5.917 10.432 1.00 0.62 H new ATOM 0 HB3 ASN B 13 -6.520 -4.391 10.250 1.00 0.62 H new ATOM 0 HD21 ASN B 13 -7.408 -6.209 13.502 1.00 1.42 H new ATOM 0 HD22 ASN B 13 -5.869 -5.895 12.692 1.00 1.42 H new ATOM 1716 N ILE B 14 -8.265 -3.920 8.090 1.00 0.48 N ATOM 1717 CA ILE B 14 -9.375 -3.071 7.674 1.00 0.57 C ATOM 1718 C ILE B 14 -10.019 -3.612 6.396 1.00 0.53 C ATOM 1719 O ILE B 14 -11.189 -3.348 6.120 1.00 0.61 O ATOM 1720 CB ILE B 14 -8.970 -1.587 7.495 1.00 0.68 C ATOM 1721 CG1 ILE B 14 -7.879 -1.429 6.437 1.00 1.33 C ATOM 1722 CG2 ILE B 14 -8.510 -1.009 8.827 1.00 1.13 C ATOM 1723 CD1 ILE B 14 -7.452 0.007 6.208 1.00 2.06 C ATOM 0 H ILE B 14 -7.339 -3.514 7.951 1.00 0.48 H new ATOM 0 HA ILE B 14 -10.106 -3.098 8.482 1.00 0.57 H new ATOM 0 HB ILE B 14 -9.845 -1.036 7.150 1.00 0.68 H new ATOM 0 HG12 ILE B 14 -7.009 -2.014 6.736 1.00 1.33 H new ATOM 0 HG13 ILE B 14 -8.236 -1.847 5.496 1.00 1.33 H new ATOM 0 HG21 ILE B 14 -8.227 0.035 8.692 1.00 1.13 H new ATOM 0 HG22 ILE B 14 -9.322 -1.074 9.552 1.00 1.13 H new ATOM 0 HG23 ILE B 14 -7.652 -1.573 9.192 1.00 1.13 H new ATOM 0 HD11 ILE B 14 -6.675 0.038 5.444 1.00 2.06 H new ATOM 0 HD12 ILE B 14 -8.310 0.593 5.878 1.00 2.06 H new ATOM 0 HD13 ILE B 14 -7.064 0.424 7.137 1.00 2.06 H new ATOM 1735 N PHE B 15 -9.255 -4.388 5.626 1.00 0.48 N ATOM 1736 CA PHE B 15 -9.823 -5.146 4.511 1.00 0.59 C ATOM 1737 C PHE B 15 -10.860 -6.124 5.045 1.00 0.61 C ATOM 1738 O PHE B 15 -11.967 -6.235 4.520 1.00 0.70 O ATOM 1739 CB PHE B 15 -8.742 -5.926 3.752 1.00 0.69 C ATOM 1740 CG PHE B 15 -7.824 -5.087 2.903 1.00 1.18 C ATOM 1741 CD1 PHE B 15 -7.978 -3.713 2.814 1.00 1.75 C ATOM 1742 CD2 PHE B 15 -6.802 -5.690 2.186 1.00 1.93 C ATOM 1743 CE1 PHE B 15 -7.130 -2.958 2.026 1.00 2.35 C ATOM 1744 CE2 PHE B 15 -5.953 -4.941 1.397 1.00 2.54 C ATOM 1745 CZ PHE B 15 -6.117 -3.573 1.317 1.00 2.58 C ATOM 0 H PHE B 15 -8.250 -4.508 5.752 1.00 0.48 H new ATOM 0 HA PHE B 15 -10.283 -4.439 3.820 1.00 0.59 H new ATOM 0 HB2 PHE B 15 -8.140 -6.478 4.474 1.00 0.69 H new ATOM 0 HB3 PHE B 15 -9.229 -6.663 3.113 1.00 0.69 H new ATOM 0 HD1 PHE B 15 -8.769 -3.227 3.366 1.00 1.75 H new ATOM 0 HD2 PHE B 15 -6.669 -6.760 2.246 1.00 1.93 H new ATOM 0 HE1 PHE B 15 -7.259 -1.888 1.965 1.00 2.35 H new ATOM 0 HE2 PHE B 15 -5.162 -5.424 0.843 1.00 2.54 H new ATOM 0 HZ PHE B 15 -5.454 -2.984 0.701 1.00 2.58 H new ATOM 1755 N HIS B 16 -10.480 -6.816 6.112 1.00 0.60 N ATOM 1756 CA HIS B 16 -11.353 -7.765 6.793 1.00 0.72 C ATOM 1757 C HIS B 16 -12.512 -7.033 7.471 1.00 0.75 C ATOM 1758 O HIS B 16 -13.540 -7.626 7.780 1.00 0.88 O ATOM 1759 CB HIS B 16 -10.535 -8.557 7.824 1.00 0.77 C ATOM 1760 CG HIS B 16 -11.257 -9.710 8.455 1.00 1.16 C ATOM 1761 ND1 HIS B 16 -11.116 -11.012 8.022 1.00 1.82 N ATOM 1762 CD2 HIS B 16 -12.105 -9.759 9.508 1.00 1.85 C ATOM 1763 CE1 HIS B 16 -11.843 -11.808 8.782 1.00 2.22 C ATOM 1764 NE2 HIS B 16 -12.453 -11.075 9.691 1.00 2.23 N ATOM 0 H HIS B 16 -9.554 -6.735 6.531 1.00 0.60 H new ATOM 0 HA HIS B 16 -11.774 -8.457 6.063 1.00 0.72 H new ATOM 0 HB2 HIS B 16 -9.634 -8.933 7.339 1.00 0.77 H new ATOM 0 HB3 HIS B 16 -10.212 -7.875 8.611 1.00 0.77 H new ATOM 0 HD2 HIS B 16 -12.445 -8.919 10.096 1.00 1.85 H new ATOM 0 HE1 HIS B 16 -11.924 -12.880 8.677 1.00 2.22 H new ATOM 0 HE2 HIS B 16 -13.081 -11.427 10.413 1.00 2.23 H new ATOM 1773 N GLN B 17 -12.323 -5.742 7.706 1.00 0.70 N ATOM 1774 CA GLN B 17 -13.313 -4.923 8.392 1.00 0.82 C ATOM 1775 C GLN B 17 -14.540 -4.658 7.516 1.00 0.93 C ATOM 1776 O GLN B 17 -15.666 -4.918 7.938 1.00 1.18 O ATOM 1777 CB GLN B 17 -12.672 -3.609 8.840 1.00 0.85 C ATOM 1778 CG GLN B 17 -13.612 -2.673 9.576 1.00 1.27 C ATOM 1779 CD GLN B 17 -12.888 -1.467 10.134 1.00 1.99 C ATOM 1780 OE1 GLN B 17 -12.420 -1.483 11.271 1.00 2.60 O ATOM 1781 NE2 GLN B 17 -12.784 -0.415 9.340 1.00 2.77 N ATOM 0 H GLN B 17 -11.483 -5.235 7.428 1.00 0.70 H new ATOM 0 HA GLN B 17 -13.660 -5.472 9.268 1.00 0.82 H new ATOM 0 HB2 GLN B 17 -11.824 -3.834 9.486 1.00 0.85 H new ATOM 0 HB3 GLN B 17 -12.278 -3.094 7.964 1.00 0.85 H new ATOM 0 HG2 GLN B 17 -14.399 -2.342 8.898 1.00 1.27 H new ATOM 0 HG3 GLN B 17 -14.098 -3.212 10.389 1.00 1.27 H new ATOM 0 HE21 GLN B 17 -13.186 -0.442 8.403 1.00 2.77 H new ATOM 0 HE22 GLN B 17 -12.302 0.423 9.664 1.00 2.77 H new ATOM 1955 N LEU B 28 -17.279 -5.930 -2.647 1.00 1.15 N ATOM 1956 CA LEU B 28 -16.022 -5.223 -2.897 1.00 0.90 C ATOM 1957 C LEU B 28 -16.218 -4.109 -3.931 1.00 0.71 C ATOM 1958 O LEU B 28 -15.379 -3.896 -4.804 1.00 0.76 O ATOM 1959 CB LEU B 28 -14.937 -6.199 -3.373 1.00 1.66 C ATOM 1960 CG LEU B 28 -14.678 -7.399 -2.458 1.00 2.02 C ATOM 1961 CD1 LEU B 28 -13.606 -8.296 -3.055 1.00 2.91 C ATOM 1962 CD2 LEU B 28 -14.271 -6.939 -1.070 1.00 2.37 C ATOM 0 HA LEU B 28 -15.699 -4.771 -1.959 1.00 0.90 H new ATOM 0 HB2 LEU B 28 -15.215 -6.570 -4.359 1.00 1.66 H new ATOM 0 HB3 LEU B 28 -14.004 -5.647 -3.492 1.00 1.66 H new ATOM 0 HG LEU B 28 -15.602 -7.970 -2.371 1.00 2.02 H new ATOM 0 HD11 LEU B 28 -13.432 -9.145 -2.394 1.00 2.91 H new ATOM 0 HD12 LEU B 28 -13.935 -8.657 -4.030 1.00 2.91 H new ATOM 0 HD13 LEU B 28 -12.681 -7.731 -3.170 1.00 2.91 H new ATOM 0 HD21 LEU B 28 -14.092 -7.808 -0.437 1.00 2.37 H new ATOM 0 HD22 LEU B 28 -13.360 -6.344 -1.136 1.00 2.37 H new ATOM 0 HD23 LEU B 28 -15.069 -6.334 -0.639 1.00 2.37 H new ATOM 1974 N SER B 29 -17.335 -3.403 -3.827 1.00 0.61 N ATOM 1975 CA SER B 29 -17.632 -2.321 -4.749 1.00 0.48 C ATOM 1976 C SER B 29 -17.284 -0.979 -4.101 1.00 0.44 C ATOM 1977 O SER B 29 -16.675 -0.952 -3.028 1.00 0.53 O ATOM 1978 CB SER B 29 -19.101 -2.368 -5.186 1.00 0.55 C ATOM 1979 OG SER B 29 -19.348 -1.494 -6.274 1.00 1.35 O ATOM 0 H SER B 29 -18.048 -3.561 -3.115 1.00 0.61 H new ATOM 0 HA SER B 29 -17.022 -2.438 -5.645 1.00 0.48 H new ATOM 0 HB2 SER B 29 -19.365 -3.387 -5.469 1.00 0.55 H new ATOM 0 HB3 SER B 29 -19.740 -2.095 -4.346 1.00 0.55 H new ATOM 0 HG SER B 29 -18.889 -1.828 -7.073 1.00 1.35 H new ATOM 1985 N LYS B 30 -17.660 0.124 -4.737 1.00 0.38 N ATOM 1986 CA LYS B 30 -17.241 1.444 -4.272 1.00 0.36 C ATOM 1987 C LYS B 30 -17.772 1.742 -2.871 1.00 0.36 C ATOM 1988 O LYS B 30 -17.175 2.522 -2.143 1.00 0.37 O ATOM 1989 CB LYS B 30 -17.689 2.537 -5.243 1.00 0.39 C ATOM 1990 CG LYS B 30 -16.864 3.816 -5.126 1.00 0.41 C ATOM 1991 CD LYS B 30 -17.334 4.902 -6.087 1.00 0.50 C ATOM 1992 CE LYS B 30 -17.756 4.330 -7.434 1.00 0.52 C ATOM 1993 NZ LYS B 30 -18.041 5.376 -8.453 1.00 1.32 N ATOM 0 H LYS B 30 -18.249 0.133 -5.569 1.00 0.38 H new ATOM 0 HA LYS B 30 -16.152 1.437 -4.230 1.00 0.36 H new ATOM 0 HB2 LYS B 30 -17.620 2.159 -6.263 1.00 0.39 H new ATOM 0 HB3 LYS B 30 -18.738 2.770 -5.060 1.00 0.39 H new ATOM 0 HG2 LYS B 30 -16.922 4.190 -4.104 1.00 0.41 H new ATOM 0 HG3 LYS B 30 -15.816 3.589 -5.324 1.00 0.41 H new ATOM 0 HD2 LYS B 30 -18.172 5.440 -5.644 1.00 0.50 H new ATOM 0 HD3 LYS B 30 -16.533 5.626 -6.236 1.00 0.50 H new ATOM 0 HE2 LYS B 30 -16.968 3.675 -7.806 1.00 0.52 H new ATOM 0 HE3 LYS B 30 -18.645 3.714 -7.297 1.00 0.52 H new ATOM 0 HZ1 LYS B 30 -18.223 4.925 -9.372 1.00 1.32 H new ATOM 0 HZ2 LYS B 30 -18.877 5.923 -8.164 1.00 1.32 H new ATOM 0 HZ3 LYS B 30 -17.222 6.012 -8.536 1.00 1.32 H new ATOM 2007 N GLY B 31 -18.880 1.114 -2.499 1.00 0.39 N ATOM 2008 CA GLY B 31 -19.451 1.324 -1.177 1.00 0.40 C ATOM 2009 C GLY B 31 -18.525 0.878 -0.066 1.00 0.38 C ATOM 2010 O GLY B 31 -18.373 1.572 0.941 1.00 0.39 O ATOM 0 H GLY B 31 -19.396 0.461 -3.088 1.00 0.39 H new ATOM 0 HA2 GLY B 31 -19.683 2.381 -1.049 1.00 0.40 H new ATOM 0 HA3 GLY B 31 -20.392 0.780 -1.101 1.00 0.40 H new ATOM 2014 N GLU B 32 -17.902 -0.277 -0.254 1.00 0.44 N ATOM 2015 CA GLU B 32 -16.989 -0.833 0.740 1.00 0.50 C ATOM 2016 C GLU B 32 -15.770 0.066 0.882 1.00 0.42 C ATOM 2017 O GLU B 32 -15.314 0.361 1.990 1.00 0.44 O ATOM 2018 CB GLU B 32 -16.553 -2.239 0.326 1.00 0.67 C ATOM 2019 CG GLU B 32 -17.706 -3.152 -0.075 1.00 0.96 C ATOM 2020 CD GLU B 32 -18.669 -3.468 1.060 1.00 1.58 C ATOM 2021 OE1 GLU B 32 -18.806 -2.649 1.989 1.00 2.43 O ATOM 2022 OE2 GLU B 32 -19.331 -4.526 0.993 1.00 2.10 O ATOM 0 H GLU B 32 -18.012 -0.851 -1.090 1.00 0.44 H new ATOM 0 HA GLU B 32 -17.504 -0.892 1.699 1.00 0.50 H new ATOM 0 HB2 GLU B 32 -15.857 -2.161 -0.509 1.00 0.67 H new ATOM 0 HB3 GLU B 32 -16.010 -2.698 1.152 1.00 0.67 H new ATOM 0 HG2 GLU B 32 -18.260 -2.684 -0.888 1.00 0.96 H new ATOM 0 HG3 GLU B 32 -17.299 -4.086 -0.463 1.00 0.96 H new ATOM 2029 N LEU B 33 -15.262 0.503 -0.260 1.00 0.38 N ATOM 2030 CA LEU B 33 -14.149 1.429 -0.315 1.00 0.34 C ATOM 2031 C LEU B 33 -14.523 2.729 0.375 1.00 0.30 C ATOM 2032 O LEU B 33 -13.799 3.223 1.232 1.00 0.32 O ATOM 2033 CB LEU B 33 -13.806 1.709 -1.773 1.00 0.34 C ATOM 2034 CG LEU B 33 -12.607 2.624 -1.995 1.00 0.39 C ATOM 2035 CD1 LEU B 33 -11.311 1.868 -1.784 1.00 0.52 C ATOM 2036 CD2 LEU B 33 -12.647 3.240 -3.378 1.00 0.46 C ATOM 0 H LEU B 33 -15.613 0.223 -1.176 1.00 0.38 H new ATOM 0 HA LEU B 33 -13.288 0.992 0.191 1.00 0.34 H new ATOM 0 HB2 LEU B 33 -13.615 0.760 -2.273 1.00 0.34 H new ATOM 0 HB3 LEU B 33 -14.676 2.154 -2.255 1.00 0.34 H new ATOM 0 HG LEU B 33 -12.656 3.430 -1.263 1.00 0.39 H new ATOM 0 HD11 LEU B 33 -10.468 2.539 -1.947 1.00 0.52 H new ATOM 0 HD12 LEU B 33 -11.276 1.483 -0.765 1.00 0.52 H new ATOM 0 HD13 LEU B 33 -11.255 1.038 -2.488 1.00 0.52 H new ATOM 0 HD21 LEU B 33 -11.781 3.889 -3.513 1.00 0.46 H new ATOM 0 HD22 LEU B 33 -12.629 2.450 -4.129 1.00 0.46 H new ATOM 0 HD23 LEU B 33 -13.560 3.825 -3.489 1.00 0.46 H new ATOM 2048 N LYS B 34 -15.677 3.255 -0.007 1.00 0.29 N ATOM 2049 CA LYS B 34 -16.185 4.513 0.512 1.00 0.31 C ATOM 2050 C LYS B 34 -16.288 4.467 2.030 1.00 0.35 C ATOM 2051 O LYS B 34 -15.813 5.377 2.709 1.00 0.41 O ATOM 2052 CB LYS B 34 -17.544 4.816 -0.146 1.00 0.34 C ATOM 2053 CG LYS B 34 -18.273 6.057 0.372 1.00 0.53 C ATOM 2054 CD LYS B 34 -19.058 5.776 1.647 1.00 0.85 C ATOM 2055 CE LYS B 34 -19.882 6.979 2.076 1.00 1.30 C ATOM 2056 NZ LYS B 34 -20.968 7.283 1.106 1.00 1.87 N ATOM 0 H LYS B 34 -16.292 2.816 -0.692 1.00 0.29 H new ATOM 0 HA LYS B 34 -15.493 5.319 0.267 1.00 0.31 H new ATOM 0 HB2 LYS B 34 -17.389 4.930 -1.219 1.00 0.34 H new ATOM 0 HB3 LYS B 34 -18.194 3.952 -0.008 1.00 0.34 H new ATOM 0 HG2 LYS B 34 -17.548 6.849 0.561 1.00 0.53 H new ATOM 0 HG3 LYS B 34 -18.953 6.424 -0.397 1.00 0.53 H new ATOM 0 HD2 LYS B 34 -19.716 4.922 1.488 1.00 0.85 H new ATOM 0 HD3 LYS B 34 -18.369 5.503 2.446 1.00 0.85 H new ATOM 0 HE2 LYS B 34 -20.315 6.790 3.058 1.00 1.30 H new ATOM 0 HE3 LYS B 34 -19.231 7.848 2.176 1.00 1.30 H new ATOM 0 HZ1 LYS B 34 -21.653 7.931 1.544 1.00 1.87 H new ATOM 0 HZ2 LYS B 34 -20.562 7.729 0.259 1.00 1.87 H new ATOM 0 HZ3 LYS B 34 -21.449 6.401 0.836 1.00 1.87 H new ATOM 2070 N GLN B 35 -16.902 3.409 2.552 1.00 0.36 N ATOM 2071 CA GLN B 35 -17.013 3.218 3.988 1.00 0.43 C ATOM 2072 C GLN B 35 -15.643 3.328 4.635 1.00 0.43 C ATOM 2073 O GLN B 35 -15.399 4.237 5.421 1.00 0.50 O ATOM 2074 CB GLN B 35 -17.628 1.853 4.289 1.00 0.50 C ATOM 2075 CG GLN B 35 -17.892 1.627 5.763 1.00 1.07 C ATOM 2076 CD GLN B 35 -18.339 0.213 6.072 1.00 1.67 C ATOM 2077 OE1 GLN B 35 -17.947 -0.737 5.399 1.00 2.45 O ATOM 2078 NE2 GLN B 35 -19.163 0.063 7.095 1.00 2.06 N ATOM 0 H GLN B 35 -17.331 2.670 1.996 1.00 0.36 H new ATOM 0 HA GLN B 35 -17.660 3.993 4.399 1.00 0.43 H new ATOM 0 HB2 GLN B 35 -18.565 1.755 3.740 1.00 0.50 H new ATOM 0 HB3 GLN B 35 -16.961 1.073 3.923 1.00 0.50 H new ATOM 0 HG2 GLN B 35 -16.986 1.848 6.327 1.00 1.07 H new ATOM 0 HG3 GLN B 35 -18.656 2.326 6.101 1.00 1.07 H new ATOM 0 HE21 GLN B 35 -19.466 0.877 7.630 1.00 2.06 H new ATOM 0 HE22 GLN B 35 -19.496 -0.867 7.350 1.00 2.06 H new ATOM 2087 N LEU B 36 -14.747 2.430 4.250 1.00 0.38 N ATOM 2088 CA LEU B 36 -13.408 2.380 4.809 1.00 0.39 C ATOM 2089 C LEU B 36 -12.715 3.738 4.707 1.00 0.38 C ATOM 2090 O LEU B 36 -12.253 4.277 5.696 1.00 0.45 O ATOM 2091 CB LEU B 36 -12.595 1.304 4.085 1.00 0.37 C ATOM 2092 CG LEU B 36 -11.179 1.060 4.611 1.00 0.40 C ATOM 2093 CD1 LEU B 36 -10.768 -0.374 4.346 1.00 0.45 C ATOM 2094 CD2 LEU B 36 -10.185 2.004 3.959 1.00 0.40 C ATOM 0 H LEU B 36 -14.930 1.718 3.543 1.00 0.38 H new ATOM 0 HA LEU B 36 -13.479 2.128 5.867 1.00 0.39 H new ATOM 0 HB2 LEU B 36 -13.146 0.365 4.137 1.00 0.37 H new ATOM 0 HB3 LEU B 36 -12.527 1.576 3.032 1.00 0.37 H new ATOM 0 HG LEU B 36 -11.180 1.247 5.685 1.00 0.40 H new ATOM 0 HD11 LEU B 36 -9.759 -0.539 4.724 1.00 0.45 H new ATOM 0 HD12 LEU B 36 -11.459 -1.050 4.850 1.00 0.45 H new ATOM 0 HD13 LEU B 36 -10.790 -0.567 3.273 1.00 0.45 H new ATOM 0 HD21 LEU B 36 -9.187 1.809 4.351 1.00 0.40 H new ATOM 0 HD22 LEU B 36 -10.188 1.847 2.880 1.00 0.40 H new ATOM 0 HD23 LEU B 36 -10.465 3.035 4.177 1.00 0.40 H new ATOM 2106 N LEU B 37 -12.669 4.292 3.513 1.00 0.34 N ATOM 2107 CA LEU B 37 -11.918 5.516 3.272 1.00 0.35 C ATOM 2108 C LEU B 37 -12.440 6.699 4.081 1.00 0.41 C ATOM 2109 O LEU B 37 -11.661 7.405 4.719 1.00 0.45 O ATOM 2110 CB LEU B 37 -11.940 5.862 1.792 1.00 0.34 C ATOM 2111 CG LEU B 37 -11.326 4.806 0.876 1.00 0.30 C ATOM 2112 CD1 LEU B 37 -11.284 5.291 -0.561 1.00 0.38 C ATOM 2113 CD2 LEU B 37 -9.936 4.437 1.355 1.00 0.32 C ATOM 0 H LEU B 37 -13.142 3.917 2.691 1.00 0.34 H new ATOM 0 HA LEU B 37 -10.895 5.325 3.598 1.00 0.35 H new ATOM 0 HB2 LEU B 37 -12.973 6.029 1.488 1.00 0.34 H new ATOM 0 HB3 LEU B 37 -11.409 6.802 1.646 1.00 0.34 H new ATOM 0 HG LEU B 37 -11.955 3.916 0.912 1.00 0.30 H new ATOM 0 HD11 LEU B 37 -10.842 4.520 -1.192 1.00 0.38 H new ATOM 0 HD12 LEU B 37 -12.297 5.504 -0.903 1.00 0.38 H new ATOM 0 HD13 LEU B 37 -10.683 6.198 -0.621 1.00 0.38 H new ATOM 0 HD21 LEU B 37 -9.511 3.683 0.692 1.00 0.32 H new ATOM 0 HD22 LEU B 37 -9.302 5.324 1.350 1.00 0.32 H new ATOM 0 HD23 LEU B 37 -9.994 4.038 2.368 1.00 0.32 H new ATOM 2125 N THR B 38 -13.747 6.907 4.063 1.00 0.45 N ATOM 2126 CA THR B 38 -14.337 8.075 4.696 1.00 0.53 C ATOM 2127 C THR B 38 -14.136 8.064 6.205 1.00 0.59 C ATOM 2128 O THR B 38 -13.973 9.114 6.823 1.00 0.67 O ATOM 2129 CB THR B 38 -15.845 8.185 4.394 1.00 0.56 C ATOM 2130 OG1 THR B 38 -16.499 6.947 4.695 1.00 1.23 O ATOM 2131 CG2 THR B 38 -16.086 8.549 2.939 1.00 1.03 C ATOM 0 H THR B 38 -14.419 6.282 3.617 1.00 0.45 H new ATOM 0 HA THR B 38 -13.823 8.939 4.275 1.00 0.53 H new ATOM 0 HB THR B 38 -16.257 8.976 5.021 1.00 0.56 H new ATOM 0 HG1 THR B 38 -16.629 6.436 3.869 1.00 1.23 H new ATOM 0 HG21 THR B 38 -17.158 8.620 2.754 1.00 1.03 H new ATOM 0 HG22 THR B 38 -15.616 9.508 2.721 1.00 1.03 H new ATOM 0 HG23 THR B 38 -15.657 7.781 2.296 1.00 1.03 H new ATOM 2139 N LYS B 39 -14.165 6.882 6.800 1.00 0.58 N ATOM 2140 CA LYS B 39 -14.073 6.775 8.249 1.00 0.67 C ATOM 2141 C LYS B 39 -12.654 6.471 8.735 1.00 0.65 C ATOM 2142 O LYS B 39 -12.243 6.943 9.796 1.00 0.72 O ATOM 2143 CB LYS B 39 -15.052 5.724 8.767 1.00 0.72 C ATOM 2144 CG LYS B 39 -14.795 4.335 8.220 1.00 0.68 C ATOM 2145 CD LYS B 39 -15.982 3.407 8.425 1.00 0.74 C ATOM 2146 CE LYS B 39 -16.303 3.228 9.903 1.00 0.87 C ATOM 2147 NZ LYS B 39 -15.172 2.613 10.652 1.00 1.62 N ATOM 0 H LYS B 39 -14.251 5.992 6.309 1.00 0.58 H new ATOM 0 HA LYS B 39 -14.340 7.751 8.655 1.00 0.67 H new ATOM 0 HB2 LYS B 39 -14.997 5.693 9.855 1.00 0.72 H new ATOM 0 HB3 LYS B 39 -16.067 6.026 8.508 1.00 0.72 H new ATOM 0 HG2 LYS B 39 -14.568 4.402 7.156 1.00 0.68 H new ATOM 0 HG3 LYS B 39 -13.917 3.911 8.707 1.00 0.68 H new ATOM 0 HD2 LYS B 39 -16.853 3.810 7.909 1.00 0.74 H new ATOM 0 HD3 LYS B 39 -15.767 2.436 7.978 1.00 0.74 H new ATOM 0 HE2 LYS B 39 -16.543 4.197 10.341 1.00 0.87 H new ATOM 0 HE3 LYS B 39 -17.189 2.602 10.008 1.00 0.87 H new ATOM 0 HZ1 LYS B 39 -15.469 2.416 11.629 1.00 1.62 H new ATOM 0 HZ2 LYS B 39 -14.892 1.725 10.190 1.00 1.62 H new ATOM 0 HZ3 LYS B 39 -14.364 3.268 10.661 1.00 1.62 H new ATOM 2161 N GLU B 40 -11.903 5.696 7.962 1.00 0.57 N ATOM 2162 CA GLU B 40 -10.615 5.187 8.424 1.00 0.58 C ATOM 2163 C GLU B 40 -9.467 6.071 7.937 1.00 0.56 C ATOM 2164 O GLU B 40 -8.485 6.280 8.649 1.00 0.64 O ATOM 2165 CB GLU B 40 -10.398 3.742 7.940 1.00 0.58 C ATOM 2166 CG GLU B 40 -11.530 2.775 8.279 1.00 0.88 C ATOM 2167 CD GLU B 40 -11.841 2.682 9.759 1.00 1.14 C ATOM 2168 OE1 GLU B 40 -12.638 3.503 10.260 1.00 1.67 O ATOM 2169 OE2 GLU B 40 -11.328 1.761 10.424 1.00 1.63 O ATOM 0 H GLU B 40 -12.160 5.407 7.018 1.00 0.57 H new ATOM 0 HA GLU B 40 -10.626 5.201 9.514 1.00 0.58 H new ATOM 0 HB2 GLU B 40 -10.260 3.753 6.859 1.00 0.58 H new ATOM 0 HB3 GLU B 40 -9.473 3.363 8.375 1.00 0.58 H new ATOM 0 HG2 GLU B 40 -12.430 3.086 7.748 1.00 0.88 H new ATOM 0 HG3 GLU B 40 -11.269 1.783 7.910 1.00 0.88 H new ATOM 2176 N LEU B 41 -9.601 6.591 6.723 1.00 0.50 N ATOM 2177 CA LEU B 41 -8.551 7.396 6.099 1.00 0.49 C ATOM 2178 C LEU B 41 -9.046 8.825 5.900 1.00 0.53 C ATOM 2179 O LEU B 41 -8.597 9.541 5.001 1.00 0.53 O ATOM 2180 CB LEU B 41 -8.136 6.794 4.744 1.00 0.43 C ATOM 2181 CG LEU B 41 -7.265 5.526 4.786 1.00 0.51 C ATOM 2182 CD1 LEU B 41 -7.945 4.384 5.520 1.00 1.22 C ATOM 2183 CD2 LEU B 41 -6.921 5.093 3.372 1.00 1.42 C ATOM 0 H LEU B 41 -10.433 6.470 6.145 1.00 0.50 H new ATOM 0 HA LEU B 41 -7.681 7.401 6.756 1.00 0.49 H new ATOM 0 HB2 LEU B 41 -9.042 6.566 4.182 1.00 0.43 H new ATOM 0 HB3 LEU B 41 -7.597 7.558 4.184 1.00 0.43 H new ATOM 0 HG LEU B 41 -6.356 5.772 5.335 1.00 0.51 H new ATOM 0 HD11 LEU B 41 -7.291 3.512 5.522 1.00 1.22 H new ATOM 0 HD12 LEU B 41 -8.153 4.684 6.547 1.00 1.22 H new ATOM 0 HD13 LEU B 41 -8.880 4.134 5.018 1.00 1.22 H new ATOM 0 HD21 LEU B 41 -6.304 4.195 3.406 1.00 1.42 H new ATOM 0 HD22 LEU B 41 -7.839 4.882 2.823 1.00 1.42 H new ATOM 0 HD23 LEU B 41 -6.373 5.891 2.870 1.00 1.42 H new ATOM 2195 N ALA B 42 -9.973 9.218 6.767 1.00 0.58 N ATOM 2196 CA ALA B 42 -10.680 10.497 6.670 1.00 0.64 C ATOM 2197 C ALA B 42 -9.753 11.705 6.555 1.00 0.71 C ATOM 2198 O ALA B 42 -10.077 12.675 5.871 1.00 0.78 O ATOM 2199 CB ALA B 42 -11.589 10.672 7.873 1.00 0.71 C ATOM 0 H ALA B 42 -10.260 8.654 7.567 1.00 0.58 H new ATOM 0 HA ALA B 42 -11.258 10.458 5.747 1.00 0.64 H new ATOM 0 HB1 ALA B 42 -12.113 11.625 7.797 1.00 0.71 H new ATOM 0 HB2 ALA B 42 -12.315 9.859 7.902 1.00 0.71 H new ATOM 0 HB3 ALA B 42 -10.992 10.658 8.785 1.00 0.71 H new ATOM 2205 N ASN B 43 -8.608 11.653 7.214 1.00 0.74 N ATOM 2206 CA ASN B 43 -7.733 12.815 7.293 1.00 0.83 C ATOM 2207 C ASN B 43 -6.468 12.606 6.462 1.00 0.83 C ATOM 2208 O ASN B 43 -5.531 13.406 6.510 1.00 1.07 O ATOM 2209 CB ASN B 43 -7.378 13.085 8.760 1.00 1.00 C ATOM 2210 CG ASN B 43 -6.821 14.479 8.998 1.00 1.28 C ATOM 2211 OD1 ASN B 43 -5.608 14.694 8.984 1.00 1.56 O ATOM 2212 ND2 ASN B 43 -7.708 15.436 9.227 1.00 2.16 N ATOM 0 H ASN B 43 -8.262 10.825 7.700 1.00 0.74 H new ATOM 0 HA ASN B 43 -8.256 13.680 6.884 1.00 0.83 H new ATOM 0 HB2 ASN B 43 -8.269 12.948 9.373 1.00 1.00 H new ATOM 0 HB3 ASN B 43 -6.647 12.348 9.091 1.00 1.00 H new ATOM 0 HD21 ASN B 43 -7.395 16.391 9.400 1.00 2.16 H new ATOM 0 HD22 ASN B 43 -8.704 15.218 9.230 1.00 2.16 H new ATOM 2219 N THR B 44 -6.451 11.549 5.667 1.00 0.65 N ATOM 2220 CA THR B 44 -5.252 11.195 4.935 1.00 0.61 C ATOM 2221 C THR B 44 -5.378 11.615 3.481 1.00 0.59 C ATOM 2222 O THR B 44 -4.652 12.483 2.998 1.00 0.66 O ATOM 2223 CB THR B 44 -5.002 9.682 4.998 1.00 0.55 C ATOM 2224 OG1 THR B 44 -5.458 9.169 6.257 1.00 0.65 O ATOM 2225 CG2 THR B 44 -3.523 9.377 4.821 1.00 0.52 C ATOM 0 H THR B 44 -7.246 10.928 5.514 1.00 0.65 H new ATOM 0 HA THR B 44 -4.413 11.716 5.396 1.00 0.61 H new ATOM 0 HB THR B 44 -5.554 9.202 4.190 1.00 0.55 H new ATOM 0 HG1 THR B 44 -5.293 9.832 6.959 1.00 0.65 H new ATOM 0 HG21 THR B 44 -3.365 8.299 4.869 1.00 0.52 H new ATOM 0 HG22 THR B 44 -3.188 9.750 3.853 1.00 0.52 H new ATOM 0 HG23 THR B 44 -2.954 9.862 5.614 1.00 0.52 H new ATOM 2233 N ILE B 45 -6.330 11.008 2.803 1.00 0.52 N ATOM 2234 CA ILE B 45 -6.552 11.261 1.395 1.00 0.51 C ATOM 2235 C ILE B 45 -7.345 12.554 1.214 1.00 0.59 C ATOM 2236 O ILE B 45 -8.297 12.809 1.956 1.00 0.60 O ATOM 2237 CB ILE B 45 -7.308 10.081 0.764 1.00 0.43 C ATOM 2238 CG1 ILE B 45 -6.548 8.766 1.000 1.00 0.39 C ATOM 2239 CG2 ILE B 45 -7.520 10.321 -0.724 1.00 0.47 C ATOM 2240 CD1 ILE B 45 -7.238 7.552 0.413 1.00 0.35 C ATOM 0 H ILE B 45 -6.970 10.327 3.212 1.00 0.52 H new ATOM 0 HA ILE B 45 -5.589 11.369 0.897 1.00 0.51 H new ATOM 0 HB ILE B 45 -8.285 10.000 1.241 1.00 0.43 H new ATOM 0 HG12 ILE B 45 -5.551 8.850 0.569 1.00 0.39 H new ATOM 0 HG13 ILE B 45 -6.420 8.618 2.072 1.00 0.39 H new ATOM 0 HG21 ILE B 45 -8.057 9.476 -1.156 1.00 0.47 H new ATOM 0 HG22 ILE B 45 -8.102 11.232 -0.866 1.00 0.47 H new ATOM 0 HG23 ILE B 45 -6.554 10.427 -1.217 1.00 0.47 H new ATOM 0 HD11 ILE B 45 -6.644 6.661 0.618 1.00 0.35 H new ATOM 0 HD12 ILE B 45 -8.225 7.442 0.862 1.00 0.35 H new ATOM 0 HD13 ILE B 45 -7.342 7.678 -0.665 1.00 0.35 H new ATOM 2252 N LYS B 46 -6.929 13.380 0.248 1.00 0.67 N ATOM 2253 CA LYS B 46 -7.565 14.673 0.019 1.00 0.74 C ATOM 2254 C LYS B 46 -9.058 14.513 -0.246 1.00 0.68 C ATOM 2255 O LYS B 46 -9.460 13.761 -1.139 1.00 0.63 O ATOM 2256 CB LYS B 46 -6.882 15.428 -1.141 1.00 0.82 C ATOM 2257 CG LYS B 46 -7.235 14.940 -2.545 1.00 0.79 C ATOM 2258 CD LYS B 46 -8.424 15.712 -3.101 1.00 0.75 C ATOM 2259 CE LYS B 46 -8.791 15.279 -4.509 1.00 0.88 C ATOM 2260 NZ LYS B 46 -8.867 13.801 -4.647 1.00 1.61 N ATOM 0 H LYS B 46 -6.156 13.173 -0.384 1.00 0.67 H new ATOM 0 HA LYS B 46 -7.446 15.266 0.926 1.00 0.74 H new ATOM 0 HB2 LYS B 46 -7.142 16.484 -1.067 1.00 0.82 H new ATOM 0 HB3 LYS B 46 -5.802 15.356 -1.012 1.00 0.82 H new ATOM 0 HG2 LYS B 46 -6.376 15.062 -3.204 1.00 0.79 H new ATOM 0 HG3 LYS B 46 -7.467 13.875 -2.518 1.00 0.79 H new ATOM 0 HD2 LYS B 46 -9.283 15.571 -2.445 1.00 0.75 H new ATOM 0 HD3 LYS B 46 -8.194 16.777 -3.100 1.00 0.75 H new ATOM 0 HE2 LYS B 46 -9.752 15.716 -4.782 1.00 0.88 H new ATOM 0 HE3 LYS B 46 -8.053 15.669 -5.210 1.00 0.88 H new ATOM 0 HZ1 LYS B 46 -9.645 13.552 -5.291 1.00 1.61 H new ATOM 0 HZ2 LYS B 46 -7.970 13.442 -5.032 1.00 1.61 H new ATOM 0 HZ3 LYS B 46 -9.039 13.374 -3.715 1.00 1.61 H new ATOM 2274 N ASN B 47 -9.863 15.211 0.560 1.00 0.71 N ATOM 2275 CA ASN B 47 -11.324 15.197 0.442 1.00 0.67 C ATOM 2276 C ASN B 47 -11.829 13.794 0.193 1.00 0.59 C ATOM 2277 O ASN B 47 -12.664 13.550 -0.675 1.00 0.57 O ATOM 2278 CB ASN B 47 -11.783 16.150 -0.658 1.00 0.69 C ATOM 2279 CG ASN B 47 -13.290 16.321 -0.760 1.00 0.92 C ATOM 2280 OD1 ASN B 47 -13.816 16.565 -1.844 1.00 1.48 O ATOM 2281 ND2 ASN B 47 -13.993 16.228 0.360 1.00 1.24 N ATOM 0 H ASN B 47 -9.519 15.804 1.315 1.00 0.71 H new ATOM 0 HA ASN B 47 -11.748 15.541 1.385 1.00 0.67 H new ATOM 0 HB2 ASN B 47 -11.331 17.127 -0.486 1.00 0.69 H new ATOM 0 HB3 ASN B 47 -11.406 15.788 -1.615 1.00 0.69 H new ATOM 0 HD21 ASN B 47 -15.004 16.360 0.340 1.00 1.24 H new ATOM 0 HD22 ASN B 47 -13.523 16.024 1.242 1.00 1.24 H new ATOM 2288 N ILE B 48 -11.316 12.868 0.980 1.00 0.56 N ATOM 2289 CA ILE B 48 -11.718 11.482 0.893 1.00 0.48 C ATOM 2290 C ILE B 48 -13.181 11.331 1.304 1.00 0.48 C ATOM 2291 O ILE B 48 -13.728 10.230 1.352 1.00 0.44 O ATOM 2292 CB ILE B 48 -10.828 10.596 1.787 1.00 0.46 C ATOM 2293 CG1 ILE B 48 -11.022 9.118 1.455 1.00 0.40 C ATOM 2294 CG2 ILE B 48 -11.126 10.854 3.256 1.00 0.52 C ATOM 2295 CD1 ILE B 48 -10.910 8.814 -0.023 1.00 0.38 C ATOM 0 H ILE B 48 -10.612 13.056 1.694 1.00 0.56 H new ATOM 0 HA ILE B 48 -11.601 11.158 -0.141 1.00 0.48 H new ATOM 0 HB ILE B 48 -9.787 10.854 1.592 1.00 0.46 H new ATOM 0 HG12 ILE B 48 -10.280 8.531 1.996 1.00 0.40 H new ATOM 0 HG13 ILE B 48 -12.002 8.799 1.811 1.00 0.40 H new ATOM 0 HG21 ILE B 48 -10.489 10.220 3.873 1.00 0.52 H new ATOM 0 HG22 ILE B 48 -10.931 11.901 3.488 1.00 0.52 H new ATOM 0 HG23 ILE B 48 -12.172 10.626 3.461 1.00 0.52 H new ATOM 0 HD11 ILE B 48 -11.058 7.747 -0.187 1.00 0.38 H new ATOM 0 HD12 ILE B 48 -11.670 9.374 -0.568 1.00 0.38 H new ATOM 0 HD13 ILE B 48 -9.921 9.102 -0.380 1.00 0.38 H new ATOM 2307 N LYS B 49 -13.821 12.454 1.582 1.00 0.56 N ATOM 2308 CA LYS B 49 -15.191 12.427 2.040 1.00 0.57 C ATOM 2309 C LYS B 49 -16.124 12.678 0.874 1.00 0.55 C ATOM 2310 O LYS B 49 -17.349 12.655 1.016 1.00 0.56 O ATOM 2311 CB LYS B 49 -15.401 13.453 3.145 1.00 0.66 C ATOM 2312 CG LYS B 49 -14.384 13.327 4.265 1.00 0.73 C ATOM 2313 CD LYS B 49 -14.456 11.965 4.935 1.00 0.72 C ATOM 2314 CE LYS B 49 -15.714 11.805 5.775 1.00 0.83 C ATOM 2315 NZ LYS B 49 -15.758 12.761 6.913 1.00 1.11 N ATOM 0 H LYS B 49 -13.415 13.386 1.498 1.00 0.56 H new ATOM 0 HA LYS B 49 -15.413 11.443 2.454 1.00 0.57 H new ATOM 0 HB2 LYS B 49 -15.344 14.455 2.720 1.00 0.66 H new ATOM 0 HB3 LYS B 49 -16.404 13.337 3.556 1.00 0.66 H new ATOM 0 HG2 LYS B 49 -13.382 13.485 3.867 1.00 0.73 H new ATOM 0 HG3 LYS B 49 -14.559 14.107 5.006 1.00 0.73 H new ATOM 0 HD2 LYS B 49 -14.428 11.185 4.174 1.00 0.72 H new ATOM 0 HD3 LYS B 49 -13.579 11.826 5.567 1.00 0.72 H new ATOM 0 HE2 LYS B 49 -16.591 11.954 5.144 1.00 0.83 H new ATOM 0 HE3 LYS B 49 -15.766 10.786 6.157 1.00 0.83 H new ATOM 0 HZ1 LYS B 49 -16.472 12.448 7.602 1.00 1.11 H new ATOM 0 HZ2 LYS B 49 -14.826 12.797 7.373 1.00 1.11 H new ATOM 0 HZ3 LYS B 49 -16.007 13.708 6.562 1.00 1.11 H new ATOM 2329 N ASP B 50 -15.528 12.903 -0.287 1.00 0.55 N ATOM 2330 CA ASP B 50 -16.294 13.119 -1.501 1.00 0.56 C ATOM 2331 C ASP B 50 -16.333 11.861 -2.336 1.00 0.50 C ATOM 2332 O ASP B 50 -15.308 11.220 -2.565 1.00 0.47 O ATOM 2333 CB ASP B 50 -15.716 14.248 -2.343 1.00 0.62 C ATOM 2334 CG ASP B 50 -16.800 14.951 -3.127 1.00 0.97 C ATOM 2335 OD1 ASP B 50 -17.295 14.362 -4.106 1.00 1.59 O ATOM 2336 OD2 ASP B 50 -17.182 16.077 -2.750 1.00 1.56 O ATOM 0 H ASP B 50 -14.516 12.940 -0.412 1.00 0.55 H new ATOM 0 HA ASP B 50 -17.303 13.394 -1.193 1.00 0.56 H new ATOM 0 HB2 ASP B 50 -15.207 14.964 -1.697 1.00 0.62 H new ATOM 0 HB3 ASP B 50 -14.968 13.849 -3.028 1.00 0.62 H new ATOM 2341 N LYS B 51 -17.524 11.522 -2.802 1.00 0.50 N ATOM 2342 CA LYS B 51 -17.711 10.363 -3.654 1.00 0.48 C ATOM 2343 C LYS B 51 -17.040 10.586 -4.996 1.00 0.49 C ATOM 2344 O LYS B 51 -16.760 9.635 -5.711 1.00 0.48 O ATOM 2345 CB LYS B 51 -19.190 10.090 -3.874 1.00 0.53 C ATOM 2346 CG LYS B 51 -19.621 8.670 -3.519 1.00 0.83 C ATOM 2347 CD LYS B 51 -18.960 7.613 -4.403 1.00 0.60 C ATOM 2348 CE LYS B 51 -19.443 7.682 -5.849 1.00 0.83 C ATOM 2349 NZ LYS B 51 -20.921 7.551 -5.960 1.00 0.92 N ATOM 0 H LYS B 51 -18.380 12.038 -2.602 1.00 0.50 H new ATOM 0 HA LYS B 51 -17.260 9.503 -3.158 1.00 0.48 H new ATOM 0 HB2 LYS B 51 -19.771 10.794 -3.278 1.00 0.53 H new ATOM 0 HB3 LYS B 51 -19.432 10.281 -4.919 1.00 0.53 H new ATOM 0 HG2 LYS B 51 -19.375 8.470 -2.476 1.00 0.83 H new ATOM 0 HG3 LYS B 51 -20.704 8.590 -3.612 1.00 0.83 H new ATOM 0 HD2 LYS B 51 -17.878 7.746 -4.377 1.00 0.60 H new ATOM 0 HD3 LYS B 51 -19.169 6.622 -3.999 1.00 0.60 H new ATOM 0 HE2 LYS B 51 -19.131 8.629 -6.289 1.00 0.83 H new ATOM 0 HE3 LYS B 51 -18.966 6.890 -6.427 1.00 0.83 H new ATOM 0 HZ1 LYS B 51 -21.180 7.366 -6.950 1.00 0.92 H new ATOM 0 HZ2 LYS B 51 -21.245 6.763 -5.364 1.00 0.92 H new ATOM 0 HZ3 LYS B 51 -21.372 8.433 -5.643 1.00 0.92 H new ATOM 2363 N ALA B 52 -16.794 11.845 -5.335 1.00 0.55 N ATOM 2364 CA ALA B 52 -16.075 12.171 -6.552 1.00 0.60 C ATOM 2365 C ALA B 52 -14.629 11.778 -6.383 1.00 0.57 C ATOM 2366 O ALA B 52 -13.988 11.280 -7.301 1.00 0.60 O ATOM 2367 CB ALA B 52 -16.174 13.654 -6.858 1.00 0.67 C ATOM 0 H ALA B 52 -17.083 12.653 -4.783 1.00 0.55 H new ATOM 0 HA ALA B 52 -16.517 11.624 -7.385 1.00 0.60 H new ATOM 0 HB1 ALA B 52 -15.627 13.874 -7.775 1.00 0.67 H new ATOM 0 HB2 ALA B 52 -17.221 13.930 -6.985 1.00 0.67 H new ATOM 0 HB3 ALA B 52 -15.745 14.225 -6.034 1.00 0.67 H new ATOM 2373 N VAL B 53 -14.144 11.972 -5.170 1.00 0.54 N ATOM 2374 CA VAL B 53 -12.769 11.652 -4.838 1.00 0.53 C ATOM 2375 C VAL B 53 -12.625 10.154 -4.696 1.00 0.47 C ATOM 2376 O VAL B 53 -11.691 9.547 -5.217 1.00 0.48 O ATOM 2377 CB VAL B 53 -12.326 12.345 -3.529 1.00 0.53 C ATOM 2378 CG1 VAL B 53 -11.033 11.745 -2.994 1.00 0.51 C ATOM 2379 CG2 VAL B 53 -12.158 13.839 -3.741 1.00 0.60 C ATOM 0 H VAL B 53 -14.687 12.352 -4.394 1.00 0.54 H new ATOM 0 HA VAL B 53 -12.129 12.016 -5.642 1.00 0.53 H new ATOM 0 HB VAL B 53 -13.110 12.180 -2.790 1.00 0.53 H new ATOM 0 HG11 VAL B 53 -10.749 12.255 -2.073 1.00 0.51 H new ATOM 0 HG12 VAL B 53 -11.181 10.684 -2.791 1.00 0.51 H new ATOM 0 HG13 VAL B 53 -10.242 11.866 -3.734 1.00 0.51 H new ATOM 0 HG21 VAL B 53 -11.846 14.306 -2.807 1.00 0.60 H new ATOM 0 HG22 VAL B 53 -11.401 14.015 -4.505 1.00 0.60 H new ATOM 0 HG23 VAL B 53 -13.106 14.270 -4.063 1.00 0.60 H new ATOM 2389 N ILE B 54 -13.573 9.571 -3.994 1.00 0.42 N ATOM 2390 CA ILE B 54 -13.632 8.134 -3.831 1.00 0.36 C ATOM 2391 C ILE B 54 -13.753 7.439 -5.177 1.00 0.38 C ATOM 2392 O ILE B 54 -13.156 6.392 -5.402 1.00 0.38 O ATOM 2393 CB ILE B 54 -14.815 7.765 -2.947 1.00 0.35 C ATOM 2394 CG1 ILE B 54 -14.571 8.365 -1.569 1.00 0.37 C ATOM 2395 CG2 ILE B 54 -15.005 6.251 -2.881 1.00 0.32 C ATOM 2396 CD1 ILE B 54 -15.652 8.058 -0.573 1.00 0.38 C ATOM 0 H ILE B 54 -14.322 10.077 -3.522 1.00 0.42 H new ATOM 0 HA ILE B 54 -12.708 7.802 -3.358 1.00 0.36 H new ATOM 0 HB ILE B 54 -15.738 8.168 -3.364 1.00 0.35 H new ATOM 0 HG12 ILE B 54 -13.621 7.994 -1.185 1.00 0.37 H new ATOM 0 HG13 ILE B 54 -14.476 9.447 -1.666 1.00 0.37 H new ATOM 0 HG21 ILE B 54 -15.857 6.019 -2.242 1.00 0.32 H new ATOM 0 HG22 ILE B 54 -15.186 5.863 -3.883 1.00 0.32 H new ATOM 0 HG23 ILE B 54 -14.107 5.789 -2.470 1.00 0.32 H new ATOM 0 HD11 ILE B 54 -15.407 8.519 0.384 1.00 0.38 H new ATOM 0 HD12 ILE B 54 -16.602 8.453 -0.934 1.00 0.38 H new ATOM 0 HD13 ILE B 54 -15.733 6.979 -0.445 1.00 0.38 H new ATOM 2408 N ASP B 55 -14.521 8.044 -6.066 1.00 0.43 N ATOM 2409 CA ASP B 55 -14.693 7.534 -7.415 1.00 0.47 C ATOM 2410 C ASP B 55 -13.384 7.580 -8.153 1.00 0.48 C ATOM 2411 O ASP B 55 -12.968 6.605 -8.754 1.00 0.49 O ATOM 2412 CB ASP B 55 -15.707 8.378 -8.163 1.00 0.54 C ATOM 2413 CG ASP B 55 -15.848 7.976 -9.611 1.00 0.85 C ATOM 2414 OD1 ASP B 55 -16.574 6.999 -9.879 1.00 1.43 O ATOM 2415 OD2 ASP B 55 -15.243 8.632 -10.482 1.00 1.53 O ATOM 0 H ASP B 55 -15.041 8.900 -5.874 1.00 0.43 H new ATOM 0 HA ASP B 55 -15.045 6.504 -7.354 1.00 0.47 H new ATOM 0 HB2 ASP B 55 -16.676 8.294 -7.671 1.00 0.54 H new ATOM 0 HB3 ASP B 55 -15.412 9.426 -8.109 1.00 0.54 H new ATOM 2420 N GLU B 56 -12.750 8.729 -8.090 1.00 0.51 N ATOM 2421 CA GLU B 56 -11.451 8.933 -8.691 1.00 0.53 C ATOM 2422 C GLU B 56 -10.477 7.820 -8.304 1.00 0.47 C ATOM 2423 O GLU B 56 -9.791 7.249 -9.159 1.00 0.49 O ATOM 2424 CB GLU B 56 -10.925 10.292 -8.254 1.00 0.58 C ATOM 2425 CG GLU B 56 -11.499 11.449 -9.053 1.00 0.69 C ATOM 2426 CD GLU B 56 -11.152 11.368 -10.523 1.00 1.06 C ATOM 2427 OE1 GLU B 56 -10.046 11.810 -10.899 1.00 1.77 O ATOM 2428 OE2 GLU B 56 -11.980 10.867 -11.311 1.00 1.66 O ATOM 0 H GLU B 56 -13.123 9.553 -7.618 1.00 0.51 H new ATOM 0 HA GLU B 56 -11.547 8.906 -9.776 1.00 0.53 H new ATOM 0 HB2 GLU B 56 -11.155 10.440 -7.199 1.00 0.58 H new ATOM 0 HB3 GLU B 56 -9.839 10.300 -8.347 1.00 0.58 H new ATOM 0 HG2 GLU B 56 -12.583 11.462 -8.939 1.00 0.69 H new ATOM 0 HG3 GLU B 56 -11.124 12.388 -8.646 1.00 0.69 H new ATOM 2435 N ILE B 57 -10.449 7.487 -7.020 1.00 0.42 N ATOM 2436 CA ILE B 57 -9.568 6.451 -6.526 1.00 0.39 C ATOM 2437 C ILE B 57 -10.054 5.075 -6.954 1.00 0.36 C ATOM 2438 O ILE B 57 -9.317 4.316 -7.569 1.00 0.37 O ATOM 2439 CB ILE B 57 -9.494 6.504 -5.004 1.00 0.40 C ATOM 2440 CG1 ILE B 57 -9.057 7.894 -4.548 1.00 0.48 C ATOM 2441 CG2 ILE B 57 -8.536 5.449 -4.493 1.00 0.59 C ATOM 2442 CD1 ILE B 57 -9.103 8.084 -3.052 1.00 1.00 C ATOM 0 H ILE B 57 -11.030 7.924 -6.305 1.00 0.42 H new ATOM 0 HA ILE B 57 -8.578 6.624 -6.948 1.00 0.39 H new ATOM 0 HB ILE B 57 -10.483 6.301 -4.593 1.00 0.40 H new ATOM 0 HG12 ILE B 57 -8.041 8.079 -4.898 1.00 0.48 H new ATOM 0 HG13 ILE B 57 -9.697 8.639 -5.020 1.00 0.48 H new ATOM 0 HG21 ILE B 57 -8.490 5.495 -3.405 1.00 0.59 H new ATOM 0 HG22 ILE B 57 -8.884 4.463 -4.800 1.00 0.59 H new ATOM 0 HG23 ILE B 57 -7.543 5.628 -4.906 1.00 0.59 H new ATOM 0 HD11 ILE B 57 -8.779 9.095 -2.803 1.00 1.00 H new ATOM 0 HD12 ILE B 57 -10.122 7.932 -2.697 1.00 1.00 H new ATOM 0 HD13 ILE B 57 -8.441 7.363 -2.573 1.00 1.00 H new ATOM 2454 N PHE B 58 -11.309 4.780 -6.634 1.00 0.35 N ATOM 2455 CA PHE B 58 -11.931 3.500 -6.957 1.00 0.36 C ATOM 2456 C PHE B 58 -11.748 3.156 -8.424 1.00 0.41 C ATOM 2457 O PHE B 58 -11.296 2.071 -8.769 1.00 0.44 O ATOM 2458 CB PHE B 58 -13.425 3.561 -6.630 1.00 0.38 C ATOM 2459 CG PHE B 58 -14.191 2.334 -7.023 1.00 0.52 C ATOM 2460 CD1 PHE B 58 -14.210 1.218 -6.206 1.00 1.11 C ATOM 2461 CD2 PHE B 58 -14.901 2.306 -8.209 1.00 1.52 C ATOM 2462 CE1 PHE B 58 -14.922 0.094 -6.569 1.00 1.16 C ATOM 2463 CE2 PHE B 58 -15.612 1.187 -8.576 1.00 1.67 C ATOM 2464 CZ PHE B 58 -15.624 0.079 -7.755 1.00 0.93 C ATOM 0 H PHE B 58 -11.927 5.425 -6.141 1.00 0.35 H new ATOM 0 HA PHE B 58 -11.449 2.725 -6.361 1.00 0.36 H new ATOM 0 HB2 PHE B 58 -13.545 3.723 -5.559 1.00 0.38 H new ATOM 0 HB3 PHE B 58 -13.861 4.424 -7.133 1.00 0.38 H new ATOM 0 HD1 PHE B 58 -13.662 1.227 -5.275 1.00 1.11 H new ATOM 0 HD2 PHE B 58 -14.897 3.172 -8.854 1.00 1.52 H new ATOM 0 HE1 PHE B 58 -14.929 -0.773 -5.925 1.00 1.16 H new ATOM 0 HE2 PHE B 58 -16.160 1.176 -9.506 1.00 1.67 H new ATOM 0 HZ PHE B 58 -16.183 -0.800 -8.041 1.00 0.93 H new ATOM 2474 N GLN B 59 -12.087 4.107 -9.272 1.00 0.45 N ATOM 2475 CA GLN B 59 -12.009 3.940 -10.710 1.00 0.52 C ATOM 2476 C GLN B 59 -10.553 3.883 -11.165 1.00 0.52 C ATOM 2477 O GLN B 59 -10.246 3.392 -12.253 1.00 0.57 O ATOM 2478 CB GLN B 59 -12.748 5.085 -11.403 1.00 0.58 C ATOM 2479 CG GLN B 59 -14.254 5.091 -11.156 1.00 0.61 C ATOM 2480 CD GLN B 59 -15.040 5.557 -12.368 1.00 1.10 C ATOM 2481 OE1 GLN B 59 -14.558 6.350 -13.175 1.00 1.91 O ATOM 2482 NE2 GLN B 59 -16.259 5.067 -12.506 1.00 1.63 N ATOM 0 H GLN B 59 -12.427 5.024 -8.981 1.00 0.45 H new ATOM 0 HA GLN B 59 -12.484 2.998 -10.984 1.00 0.52 H new ATOM 0 HB2 GLN B 59 -12.330 6.032 -11.062 1.00 0.58 H new ATOM 0 HB3 GLN B 59 -12.566 5.024 -12.476 1.00 0.58 H new ATOM 0 HG2 GLN B 59 -14.578 4.087 -10.881 1.00 0.61 H new ATOM 0 HG3 GLN B 59 -14.478 5.741 -10.310 1.00 0.61 H new ATOM 0 HE21 GLN B 59 -16.626 4.411 -11.817 1.00 1.63 H new ATOM 0 HE22 GLN B 59 -16.833 5.345 -13.302 1.00 1.63 H new ATOM 2491 N GLY B 60 -9.662 4.401 -10.328 1.00 0.48 N ATOM 2492 CA GLY B 60 -8.241 4.284 -10.585 1.00 0.49 C ATOM 2493 C GLY B 60 -7.715 2.892 -10.274 1.00 0.47 C ATOM 2494 O GLY B 60 -6.704 2.467 -10.830 1.00 0.53 O ATOM 0 H GLY B 60 -9.901 4.902 -9.472 1.00 0.48 H new ATOM 0 HA2 GLY B 60 -8.042 4.521 -11.630 1.00 0.49 H new ATOM 0 HA3 GLY B 60 -7.703 5.017 -9.984 1.00 0.49 H new ATOM 2498 N LEU B 61 -8.403 2.177 -9.389 1.00 0.42 N ATOM 2499 CA LEU B 61 -8.014 0.818 -9.044 1.00 0.44 C ATOM 2500 C LEU B 61 -8.766 -0.138 -9.948 1.00 0.51 C ATOM 2501 O LEU B 61 -8.207 -1.093 -10.487 1.00 0.59 O ATOM 2502 CB LEU B 61 -8.333 0.503 -7.573 1.00 0.39 C ATOM 2503 CG LEU B 61 -8.426 1.715 -6.646 1.00 0.34 C ATOM 2504 CD1 LEU B 61 -9.075 1.324 -5.329 1.00 0.31 C ATOM 2505 CD2 LEU B 61 -7.047 2.318 -6.402 1.00 0.35 C ATOM 0 H LEU B 61 -9.231 2.517 -8.900 1.00 0.42 H new ATOM 0 HA LEU B 61 -6.938 0.709 -9.180 1.00 0.44 H new ATOM 0 HB2 LEU B 61 -9.279 -0.037 -7.532 1.00 0.39 H new ATOM 0 HB3 LEU B 61 -7.565 -0.169 -7.189 1.00 0.39 H new ATOM 0 HG LEU B 61 -9.046 2.469 -7.130 1.00 0.34 H new ATOM 0 HD11 LEU B 61 -9.134 2.197 -4.679 1.00 0.31 H new ATOM 0 HD12 LEU B 61 -10.079 0.943 -5.517 1.00 0.31 H new ATOM 0 HD13 LEU B 61 -8.478 0.551 -4.845 1.00 0.31 H new ATOM 0 HD21 LEU B 61 -7.138 3.179 -5.740 1.00 0.35 H new ATOM 0 HD22 LEU B 61 -6.400 1.572 -5.940 1.00 0.35 H new ATOM 0 HD23 LEU B 61 -6.615 2.635 -7.351 1.00 0.35 H new ATOM 2517 N ASP B 62 -10.044 0.154 -10.122 1.00 0.51 N ATOM 2518 CA ASP B 62 -10.904 -0.610 -11.005 1.00 0.59 C ATOM 2519 C ASP B 62 -10.688 -0.176 -12.444 1.00 0.70 C ATOM 2520 O ASP B 62 -11.514 0.516 -13.040 1.00 0.75 O ATOM 2521 CB ASP B 62 -12.367 -0.422 -10.608 1.00 0.57 C ATOM 2522 CG ASP B 62 -13.323 -1.170 -11.519 1.00 0.64 C ATOM 2523 OD1 ASP B 62 -12.954 -2.245 -12.039 1.00 1.11 O ATOM 2524 OD2 ASP B 62 -14.443 -0.669 -11.736 1.00 1.40 O ATOM 0 H ASP B 62 -10.514 0.929 -9.654 1.00 0.51 H new ATOM 0 HA ASP B 62 -10.653 -1.667 -10.916 1.00 0.59 H new ATOM 0 HB2 ASP B 62 -12.507 -0.763 -9.582 1.00 0.57 H new ATOM 0 HB3 ASP B 62 -12.610 0.640 -10.627 1.00 0.57 H new ATOM 2529 N ALA B 63 -9.557 -0.578 -12.992 1.00 0.78 N ATOM 2530 CA ALA B 63 -9.212 -0.253 -14.366 1.00 0.94 C ATOM 2531 C ALA B 63 -10.106 -1.013 -15.339 1.00 1.12 C ATOM 2532 O ALA B 63 -10.199 -0.668 -16.519 1.00 1.31 O ATOM 2533 CB ALA B 63 -7.748 -0.561 -14.622 1.00 1.00 C ATOM 0 H ALA B 63 -8.856 -1.135 -12.503 1.00 0.78 H new ATOM 0 HA ALA B 63 -9.374 0.813 -14.525 1.00 0.94 H new ATOM 0 HB1 ALA B 63 -7.499 -0.314 -15.654 1.00 1.00 H new ATOM 0 HB2 ALA B 63 -7.128 0.031 -13.948 1.00 1.00 H new ATOM 0 HB3 ALA B 63 -7.563 -1.621 -14.448 1.00 1.00 H new ATOM 2539 N ASN B 64 -10.766 -2.046 -14.831 1.00 1.10 N ATOM 2540 CA ASN B 64 -11.680 -2.845 -15.634 1.00 1.28 C ATOM 2541 C ASN B 64 -12.997 -2.091 -15.817 1.00 1.22 C ATOM 2542 O ASN B 64 -13.763 -2.354 -16.741 1.00 1.37 O ATOM 2543 CB ASN B 64 -11.933 -4.196 -14.949 1.00 1.34 C ATOM 2544 CG ASN B 64 -12.438 -5.290 -15.885 1.00 2.04 C ATOM 2545 OD1 ASN B 64 -12.181 -6.471 -15.656 1.00 2.56 O ATOM 2546 ND2 ASN B 64 -13.163 -4.927 -16.929 1.00 2.80 N ATOM 0 H ASN B 64 -10.684 -2.351 -13.861 1.00 1.10 H new ATOM 0 HA ASN B 64 -11.236 -3.026 -16.613 1.00 1.28 H new ATOM 0 HB2 ASN B 64 -11.007 -4.532 -14.482 1.00 1.34 H new ATOM 0 HB3 ASN B 64 -12.660 -4.054 -14.149 1.00 1.34 H new ATOM 0 HD21 ASN B 64 -13.525 -5.634 -17.569 1.00 2.80 H new ATOM 0 HD22 ASN B 64 -13.361 -3.940 -17.094 1.00 2.80 H new ATOM 2553 N GLN B 65 -13.222 -1.129 -14.918 1.00 1.04 N ATOM 2554 CA GLN B 65 -14.422 -0.295 -14.924 1.00 1.06 C ATOM 2555 C GLN B 65 -15.672 -1.150 -14.775 1.00 1.04 C ATOM 2556 O GLN B 65 -16.685 -0.911 -15.429 1.00 1.17 O ATOM 2557 CB GLN B 65 -14.495 0.553 -16.199 1.00 1.32 C ATOM 2558 CG GLN B 65 -13.327 1.516 -16.356 1.00 1.38 C ATOM 2559 CD GLN B 65 -13.165 2.446 -15.168 1.00 2.03 C ATOM 2560 OE1 GLN B 65 -14.138 2.802 -14.498 1.00 2.72 O ATOM 2561 NE2 GLN B 65 -11.933 2.843 -14.894 1.00 2.58 N ATOM 0 H GLN B 65 -12.573 -0.908 -14.163 1.00 1.04 H new ATOM 0 HA GLN B 65 -14.366 0.382 -14.071 1.00 1.06 H new ATOM 0 HB2 GLN B 65 -14.529 -0.109 -17.064 1.00 1.32 H new ATOM 0 HB3 GLN B 65 -15.426 1.121 -16.195 1.00 1.32 H new ATOM 0 HG2 GLN B 65 -12.408 0.946 -16.493 1.00 1.38 H new ATOM 0 HG3 GLN B 65 -13.471 2.110 -17.259 1.00 1.38 H new ATOM 0 HE21 GLN B 65 -11.155 2.526 -15.472 1.00 2.58 H new ATOM 0 HE22 GLN B 65 -11.762 3.466 -14.105 1.00 2.58 H new ATOM 2570 N ASP B 66 -15.593 -2.140 -13.900 1.00 0.93 N ATOM 2571 CA ASP B 66 -16.698 -3.069 -13.688 1.00 0.95 C ATOM 2572 C ASP B 66 -17.403 -2.752 -12.374 1.00 0.81 C ATOM 2573 O ASP B 66 -18.362 -3.420 -11.987 1.00 0.82 O ATOM 2574 CB ASP B 66 -16.180 -4.511 -13.687 1.00 1.06 C ATOM 2575 CG ASP B 66 -17.292 -5.542 -13.742 1.00 1.43 C ATOM 2576 OD1 ASP B 66 -18.037 -5.567 -14.746 1.00 2.14 O ATOM 2577 OD2 ASP B 66 -17.421 -6.344 -12.792 1.00 1.88 O ATOM 0 H ASP B 66 -14.773 -2.323 -13.322 1.00 0.93 H new ATOM 0 HA ASP B 66 -17.416 -2.960 -14.501 1.00 0.95 H new ATOM 0 HB2 ASP B 66 -15.518 -4.654 -14.541 1.00 1.06 H new ATOM 0 HB3 ASP B 66 -15.583 -4.676 -12.790 1.00 1.06 H new ATOM 2582 N GLU B 67 -16.911 -1.714 -11.705 1.00 0.73 N ATOM 2583 CA GLU B 67 -17.425 -1.271 -10.413 1.00 0.63 C ATOM 2584 C GLU B 67 -17.141 -2.333 -9.353 1.00 0.58 C ATOM 2585 O GLU B 67 -17.938 -2.573 -8.441 1.00 0.61 O ATOM 2586 CB GLU B 67 -18.923 -0.928 -10.486 1.00 0.68 C ATOM 2587 CG GLU B 67 -19.411 -0.083 -9.315 1.00 0.97 C ATOM 2588 CD GLU B 67 -20.860 0.347 -9.452 1.00 1.42 C ATOM 2589 OE1 GLU B 67 -21.760 -0.440 -9.095 1.00 2.01 O ATOM 2590 OE2 GLU B 67 -21.106 1.487 -9.896 1.00 2.00 O ATOM 0 H GLU B 67 -16.134 -1.150 -12.049 1.00 0.73 H new ATOM 0 HA GLU B 67 -16.910 -0.353 -10.131 1.00 0.63 H new ATOM 0 HB2 GLU B 67 -19.121 -0.395 -11.416 1.00 0.68 H new ATOM 0 HB3 GLU B 67 -19.498 -1.853 -10.521 1.00 0.68 H new ATOM 0 HG2 GLU B 67 -19.293 -0.650 -8.392 1.00 0.97 H new ATOM 0 HG3 GLU B 67 -18.782 0.803 -9.228 1.00 0.97 H new ATOM 2597 N GLN B 68 -15.974 -2.954 -9.487 1.00 0.62 N ATOM 2598 CA GLN B 68 -15.530 -4.009 -8.585 1.00 0.66 C ATOM 2599 C GLN B 68 -14.023 -3.907 -8.359 1.00 0.66 C ATOM 2600 O GLN B 68 -13.248 -4.032 -9.303 1.00 0.78 O ATOM 2601 CB GLN B 68 -15.845 -5.383 -9.189 1.00 0.86 C ATOM 2602 CG GLN B 68 -17.322 -5.738 -9.225 1.00 1.38 C ATOM 2603 CD GLN B 68 -17.853 -6.141 -7.867 1.00 1.64 C ATOM 2604 OE1 GLN B 68 -18.360 -5.317 -7.105 1.00 2.16 O ATOM 2605 NE2 GLN B 68 -17.739 -7.422 -7.555 1.00 2.07 N ATOM 0 H GLN B 68 -15.307 -2.738 -10.228 1.00 0.62 H new ATOM 0 HA GLN B 68 -16.053 -3.894 -7.636 1.00 0.66 H new ATOM 0 HB2 GLN B 68 -15.452 -5.416 -10.205 1.00 0.86 H new ATOM 0 HB3 GLN B 68 -15.316 -6.146 -8.618 1.00 0.86 H new ATOM 0 HG2 GLN B 68 -17.889 -4.884 -9.595 1.00 1.38 H new ATOM 0 HG3 GLN B 68 -17.479 -6.554 -9.930 1.00 1.38 H new ATOM 0 HE21 GLN B 68 -17.312 -8.072 -8.215 1.00 2.07 H new ATOM 0 HE22 GLN B 68 -18.078 -7.760 -6.654 1.00 2.07 H new ATOM 2614 N VAL B 69 -13.605 -3.675 -7.124 1.00 0.59 N ATOM 2615 CA VAL B 69 -12.190 -3.703 -6.796 1.00 0.64 C ATOM 2616 C VAL B 69 -11.871 -4.899 -5.909 1.00 0.64 C ATOM 2617 O VAL B 69 -12.492 -5.103 -4.869 1.00 0.68 O ATOM 2618 CB VAL B 69 -11.715 -2.402 -6.105 1.00 0.72 C ATOM 2619 CG1 VAL B 69 -11.758 -1.236 -7.079 1.00 1.81 C ATOM 2620 CG2 VAL B 69 -12.545 -2.093 -4.866 1.00 1.22 C ATOM 0 H VAL B 69 -14.221 -3.467 -6.338 1.00 0.59 H new ATOM 0 HA VAL B 69 -11.652 -3.790 -7.740 1.00 0.64 H new ATOM 0 HB VAL B 69 -10.684 -2.554 -5.784 1.00 0.72 H new ATOM 0 HG11 VAL B 69 -11.421 -0.329 -6.576 1.00 1.81 H new ATOM 0 HG12 VAL B 69 -11.105 -1.445 -7.926 1.00 1.81 H new ATOM 0 HG13 VAL B 69 -12.779 -1.096 -7.434 1.00 1.81 H new ATOM 0 HG21 VAL B 69 -12.184 -1.173 -4.406 1.00 1.22 H new ATOM 0 HG22 VAL B 69 -13.590 -1.971 -5.150 1.00 1.22 H new ATOM 0 HG23 VAL B 69 -12.456 -2.914 -4.154 1.00 1.22 H new ATOM 2630 N ASP B 70 -10.923 -5.709 -6.346 1.00 0.67 N ATOM 2631 CA ASP B 70 -10.461 -6.837 -5.551 1.00 0.73 C ATOM 2632 C ASP B 70 -9.579 -6.325 -4.417 1.00 0.64 C ATOM 2633 O ASP B 70 -9.222 -5.148 -4.409 1.00 0.56 O ATOM 2634 CB ASP B 70 -9.684 -7.823 -6.438 1.00 0.84 C ATOM 2635 CG ASP B 70 -9.208 -9.056 -5.693 1.00 1.38 C ATOM 2636 OD1 ASP B 70 -9.974 -10.040 -5.617 1.00 1.98 O ATOM 2637 OD2 ASP B 70 -8.069 -9.043 -5.178 1.00 2.02 O ATOM 0 H ASP B 70 -10.457 -5.608 -7.248 1.00 0.67 H new ATOM 0 HA ASP B 70 -11.317 -7.361 -5.127 1.00 0.73 H new ATOM 0 HB2 ASP B 70 -10.319 -8.132 -7.268 1.00 0.84 H new ATOM 0 HB3 ASP B 70 -8.823 -7.312 -6.868 1.00 0.84 H new ATOM 2642 N PHE B 71 -9.225 -7.183 -3.472 1.00 0.70 N ATOM 2643 CA PHE B 71 -8.322 -6.795 -2.395 1.00 0.67 C ATOM 2644 C PHE B 71 -7.004 -6.275 -2.968 1.00 0.56 C ATOM 2645 O PHE B 71 -6.342 -5.435 -2.366 1.00 0.48 O ATOM 2646 CB PHE B 71 -8.060 -7.975 -1.458 1.00 0.83 C ATOM 2647 CG PHE B 71 -9.275 -8.417 -0.692 1.00 1.12 C ATOM 2648 CD1 PHE B 71 -10.145 -9.358 -1.220 1.00 1.93 C ATOM 2649 CD2 PHE B 71 -9.549 -7.888 0.559 1.00 1.50 C ATOM 2650 CE1 PHE B 71 -11.263 -9.761 -0.516 1.00 2.18 C ATOM 2651 CE2 PHE B 71 -10.666 -8.288 1.268 1.00 1.76 C ATOM 2652 CZ PHE B 71 -11.523 -9.225 0.730 1.00 1.77 C ATOM 0 H PHE B 71 -9.547 -8.150 -3.427 1.00 0.70 H new ATOM 0 HA PHE B 71 -8.796 -5.998 -1.822 1.00 0.67 H new ATOM 0 HB2 PHE B 71 -7.684 -8.815 -2.042 1.00 0.83 H new ATOM 0 HB3 PHE B 71 -7.276 -7.701 -0.752 1.00 0.83 H new ATOM 0 HD1 PHE B 71 -9.946 -9.781 -2.194 1.00 1.93 H new ATOM 0 HD2 PHE B 71 -8.881 -7.154 0.985 1.00 1.50 H new ATOM 0 HE1 PHE B 71 -11.933 -10.494 -0.939 1.00 2.18 H new ATOM 0 HE2 PHE B 71 -10.867 -7.867 2.242 1.00 1.76 H new ATOM 0 HZ PHE B 71 -12.396 -9.539 1.282 1.00 1.77 H new ATOM 2662 N GLN B 72 -6.635 -6.787 -4.136 1.00 0.60 N ATOM 2663 CA GLN B 72 -5.451 -6.325 -4.846 1.00 0.57 C ATOM 2664 C GLN B 72 -5.638 -4.901 -5.384 1.00 0.50 C ATOM 2665 O GLN B 72 -4.731 -4.076 -5.320 1.00 0.47 O ATOM 2666 CB GLN B 72 -5.142 -7.281 -5.994 1.00 0.70 C ATOM 2667 CG GLN B 72 -3.922 -6.887 -6.796 1.00 0.75 C ATOM 2668 CD GLN B 72 -3.680 -7.813 -7.965 1.00 1.09 C ATOM 2669 OE1 GLN B 72 -2.972 -8.814 -7.844 1.00 1.67 O ATOM 2670 NE2 GLN B 72 -4.278 -7.494 -9.101 1.00 1.66 N ATOM 0 H GLN B 72 -7.145 -7.529 -4.614 1.00 0.60 H new ATOM 0 HA GLN B 72 -4.617 -6.307 -4.145 1.00 0.57 H new ATOM 0 HB2 GLN B 72 -4.994 -8.283 -5.592 1.00 0.70 H new ATOM 0 HB3 GLN B 72 -6.004 -7.328 -6.659 1.00 0.70 H new ATOM 0 HG2 GLN B 72 -4.044 -5.868 -7.162 1.00 0.75 H new ATOM 0 HG3 GLN B 72 -3.047 -6.889 -6.146 1.00 0.75 H new ATOM 0 HE21 GLN B 72 -4.855 -6.655 -9.155 1.00 1.66 H new ATOM 0 HE22 GLN B 72 -4.162 -8.087 -9.923 1.00 1.66 H new ATOM 2679 N GLU B 73 -6.811 -4.612 -5.920 1.00 0.50 N ATOM 2680 CA GLU B 73 -7.110 -3.264 -6.393 1.00 0.47 C ATOM 2681 C GLU B 73 -7.297 -2.327 -5.205 1.00 0.36 C ATOM 2682 O GLU B 73 -6.940 -1.153 -5.260 1.00 0.33 O ATOM 2683 CB GLU B 73 -8.346 -3.260 -7.296 1.00 0.56 C ATOM 2684 CG GLU B 73 -8.066 -3.711 -8.725 1.00 0.78 C ATOM 2685 CD GLU B 73 -7.372 -5.057 -8.807 1.00 1.16 C ATOM 2686 OE1 GLU B 73 -8.052 -6.086 -8.636 1.00 1.82 O ATOM 2687 OE2 GLU B 73 -6.144 -5.086 -9.041 1.00 1.99 O ATOM 0 H GLU B 73 -7.569 -5.284 -6.040 1.00 0.50 H new ATOM 0 HA GLU B 73 -6.269 -2.909 -6.988 1.00 0.47 H new ATOM 0 HB2 GLU B 73 -9.104 -3.912 -6.861 1.00 0.56 H new ATOM 0 HB3 GLU B 73 -8.765 -2.254 -7.318 1.00 0.56 H new ATOM 0 HG2 GLU B 73 -9.007 -3.762 -9.273 1.00 0.78 H new ATOM 0 HG3 GLU B 73 -7.449 -2.962 -9.220 1.00 0.78 H new ATOM 2694 N PHE B 74 -7.832 -2.867 -4.120 1.00 0.37 N ATOM 2695 CA PHE B 74 -7.933 -2.137 -2.865 1.00 0.34 C ATOM 2696 C PHE B 74 -6.529 -1.922 -2.299 1.00 0.32 C ATOM 2697 O PHE B 74 -6.285 -1.019 -1.502 1.00 0.34 O ATOM 2698 CB PHE B 74 -8.799 -2.923 -1.877 1.00 0.43 C ATOM 2699 CG PHE B 74 -9.645 -2.064 -0.976 1.00 0.78 C ATOM 2700 CD1 PHE B 74 -9.067 -1.262 -0.009 1.00 1.44 C ATOM 2701 CD2 PHE B 74 -11.024 -2.070 -1.100 1.00 1.32 C ATOM 2702 CE1 PHE B 74 -9.847 -0.481 0.820 1.00 1.92 C ATOM 2703 CE2 PHE B 74 -11.811 -1.293 -0.274 1.00 1.77 C ATOM 2704 CZ PHE B 74 -11.220 -0.497 0.688 1.00 1.90 C ATOM 0 H PHE B 74 -8.205 -3.815 -4.084 1.00 0.37 H new ATOM 0 HA PHE B 74 -8.401 -1.167 -3.035 1.00 0.34 H new ATOM 0 HB2 PHE B 74 -9.451 -3.594 -2.437 1.00 0.43 H new ATOM 0 HB3 PHE B 74 -8.152 -3.548 -1.261 1.00 0.43 H new ATOM 0 HD1 PHE B 74 -7.993 -1.246 0.099 1.00 1.44 H new ATOM 0 HD2 PHE B 74 -11.489 -2.690 -1.852 1.00 1.32 H new ATOM 0 HE1 PHE B 74 -9.383 0.142 1.571 1.00 1.92 H new ATOM 0 HE2 PHE B 74 -12.886 -1.307 -0.380 1.00 1.77 H new ATOM 0 HZ PHE B 74 -11.832 0.112 1.336 1.00 1.90 H new ATOM 2714 N ILE B 75 -5.608 -2.758 -2.746 1.00 0.33 N ATOM 2715 CA ILE B 75 -4.207 -2.632 -2.398 1.00 0.36 C ATOM 2716 C ILE B 75 -3.613 -1.423 -3.107 1.00 0.34 C ATOM 2717 O ILE B 75 -2.770 -0.708 -2.559 1.00 0.36 O ATOM 2718 CB ILE B 75 -3.448 -3.932 -2.759 1.00 0.41 C ATOM 2719 CG1 ILE B 75 -3.229 -4.753 -1.505 1.00 0.49 C ATOM 2720 CG2 ILE B 75 -2.131 -3.656 -3.458 1.00 0.46 C ATOM 2721 CD1 ILE B 75 -2.920 -6.199 -1.773 1.00 0.67 C ATOM 0 H ILE B 75 -5.813 -3.545 -3.362 1.00 0.33 H new ATOM 0 HA ILE B 75 -4.108 -2.480 -1.323 1.00 0.36 H new ATOM 0 HB ILE B 75 -4.061 -4.495 -3.463 1.00 0.41 H new ATOM 0 HG12 ILE B 75 -2.410 -4.316 -0.934 1.00 0.49 H new ATOM 0 HG13 ILE B 75 -4.121 -4.691 -0.881 1.00 0.49 H new ATOM 0 HG21 ILE B 75 -1.637 -4.600 -3.690 1.00 0.46 H new ATOM 0 HG22 ILE B 75 -2.317 -3.107 -4.381 1.00 0.46 H new ATOM 0 HG23 ILE B 75 -1.490 -3.062 -2.806 1.00 0.46 H new ATOM 0 HD11 ILE B 75 -2.776 -6.722 -0.827 1.00 0.67 H new ATOM 0 HD12 ILE B 75 -3.748 -6.653 -2.316 1.00 0.67 H new ATOM 0 HD13 ILE B 75 -2.011 -6.272 -2.370 1.00 0.67 H new ATOM 2733 N SER B 76 -4.090 -1.183 -4.321 1.00 0.34 N ATOM 2734 CA SER B 76 -3.733 0.017 -5.047 1.00 0.36 C ATOM 2735 C SER B 76 -4.266 1.240 -4.303 1.00 0.31 C ATOM 2736 O SER B 76 -3.615 2.274 -4.254 1.00 0.33 O ATOM 2737 CB SER B 76 -4.291 -0.047 -6.469 1.00 0.45 C ATOM 2738 OG SER B 76 -3.847 -1.222 -7.134 1.00 0.74 O ATOM 0 H SER B 76 -4.725 -1.807 -4.819 1.00 0.34 H new ATOM 0 HA SER B 76 -2.648 0.097 -5.113 1.00 0.36 H new ATOM 0 HB2 SER B 76 -5.380 -0.031 -6.438 1.00 0.45 H new ATOM 0 HB3 SER B 76 -3.975 0.834 -7.028 1.00 0.45 H new ATOM 0 HG SER B 76 -4.217 -1.244 -8.041 1.00 0.74 H new ATOM 2744 N LEU B 77 -5.441 1.094 -3.693 1.00 0.28 N ATOM 2745 CA LEU B 77 -6.024 2.149 -2.863 1.00 0.26 C ATOM 2746 C LEU B 77 -5.035 2.570 -1.785 1.00 0.23 C ATOM 2747 O LEU B 77 -4.799 3.759 -1.574 1.00 0.23 O ATOM 2748 CB LEU B 77 -7.348 1.648 -2.239 1.00 0.30 C ATOM 2749 CG LEU B 77 -7.980 2.495 -1.112 1.00 0.38 C ATOM 2750 CD1 LEU B 77 -7.295 2.262 0.230 1.00 1.11 C ATOM 2751 CD2 LEU B 77 -7.968 3.971 -1.473 1.00 1.14 C ATOM 0 H LEU B 77 -6.011 0.251 -3.758 1.00 0.28 H new ATOM 0 HA LEU B 77 -6.242 3.020 -3.480 1.00 0.26 H new ATOM 0 HB2 LEU B 77 -8.082 1.556 -3.040 1.00 0.30 H new ATOM 0 HB3 LEU B 77 -7.175 0.645 -1.848 1.00 0.30 H new ATOM 0 HG LEU B 77 -9.016 2.172 -1.008 1.00 0.38 H new ATOM 0 HD11 LEU B 77 -7.771 2.877 0.993 1.00 1.11 H new ATOM 0 HD12 LEU B 77 -7.382 1.211 0.505 1.00 1.11 H new ATOM 0 HD13 LEU B 77 -6.242 2.531 0.152 1.00 1.11 H new ATOM 0 HD21 LEU B 77 -8.418 4.547 -0.664 1.00 1.14 H new ATOM 0 HD22 LEU B 77 -6.940 4.300 -1.625 1.00 1.14 H new ATOM 0 HD23 LEU B 77 -8.537 4.126 -2.389 1.00 1.14 H new ATOM 2763 N VAL B 78 -4.451 1.588 -1.118 1.00 0.24 N ATOM 2764 CA VAL B 78 -3.524 1.858 -0.032 1.00 0.25 C ATOM 2765 C VAL B 78 -2.306 2.585 -0.561 1.00 0.27 C ATOM 2766 O VAL B 78 -1.735 3.419 0.118 1.00 0.28 O ATOM 2767 CB VAL B 78 -3.072 0.570 0.671 1.00 0.29 C ATOM 2768 CG1 VAL B 78 -2.407 0.900 1.995 1.00 0.33 C ATOM 2769 CG2 VAL B 78 -4.248 -0.373 0.866 1.00 0.31 C ATOM 0 H VAL B 78 -4.602 0.598 -1.309 1.00 0.24 H new ATOM 0 HA VAL B 78 -4.049 2.478 0.695 1.00 0.25 H new ATOM 0 HB VAL B 78 -2.341 0.064 0.041 1.00 0.29 H new ATOM 0 HG11 VAL B 78 -2.091 -0.022 2.483 1.00 0.33 H new ATOM 0 HG12 VAL B 78 -1.537 1.533 1.818 1.00 0.33 H new ATOM 0 HG13 VAL B 78 -3.114 1.426 2.636 1.00 0.33 H new ATOM 0 HG21 VAL B 78 -3.908 -1.280 1.366 1.00 0.31 H new ATOM 0 HG22 VAL B 78 -5.008 0.115 1.477 1.00 0.31 H new ATOM 0 HG23 VAL B 78 -4.673 -0.631 -0.104 1.00 0.31 H new ATOM 2779 N ALA B 79 -1.928 2.266 -1.787 1.00 0.31 N ATOM 2780 CA ALA B 79 -0.832 2.949 -2.455 1.00 0.36 C ATOM 2781 C ALA B 79 -1.156 4.437 -2.622 1.00 0.33 C ATOM 2782 O ALA B 79 -0.326 5.308 -2.352 1.00 0.34 O ATOM 2783 CB ALA B 79 -0.577 2.297 -3.805 1.00 0.43 C ATOM 0 H ALA B 79 -2.367 1.533 -2.344 1.00 0.31 H new ATOM 0 HA ALA B 79 0.069 2.867 -1.848 1.00 0.36 H new ATOM 0 HB1 ALA B 79 0.245 2.808 -4.307 1.00 0.43 H new ATOM 0 HB2 ALA B 79 -0.317 1.249 -3.659 1.00 0.43 H new ATOM 0 HB3 ALA B 79 -1.476 2.366 -4.418 1.00 0.43 H new ATOM 2789 N ILE B 80 -2.379 4.704 -3.058 1.00 0.32 N ATOM 2790 CA ILE B 80 -2.903 6.064 -3.184 1.00 0.32 C ATOM 2791 C ILE B 80 -2.921 6.751 -1.825 1.00 0.28 C ATOM 2792 O ILE B 80 -2.563 7.921 -1.700 1.00 0.31 O ATOM 2793 CB ILE B 80 -4.336 6.036 -3.785 1.00 0.34 C ATOM 2794 CG1 ILE B 80 -4.293 5.884 -5.313 1.00 0.38 C ATOM 2795 CG2 ILE B 80 -5.123 7.280 -3.402 1.00 0.36 C ATOM 2796 CD1 ILE B 80 -3.503 4.687 -5.805 1.00 0.40 C ATOM 0 H ILE B 80 -3.043 3.981 -3.337 1.00 0.32 H new ATOM 0 HA ILE B 80 -2.252 6.626 -3.854 1.00 0.32 H new ATOM 0 HB ILE B 80 -4.845 5.168 -3.366 1.00 0.34 H new ATOM 0 HG12 ILE B 80 -5.314 5.808 -5.686 1.00 0.38 H new ATOM 0 HG13 ILE B 80 -3.863 6.789 -5.743 1.00 0.38 H new ATOM 0 HG21 ILE B 80 -6.120 7.228 -3.839 1.00 0.36 H new ATOM 0 HG22 ILE B 80 -5.205 7.339 -2.317 1.00 0.36 H new ATOM 0 HG23 ILE B 80 -4.609 8.165 -3.776 1.00 0.36 H new ATOM 0 HD11 ILE B 80 -3.526 4.658 -6.894 1.00 0.40 H new ATOM 0 HD12 ILE B 80 -2.470 4.768 -5.466 1.00 0.40 H new ATOM 0 HD13 ILE B 80 -3.944 3.772 -5.409 1.00 0.40 H new ATOM 2808 N ALA B 81 -3.319 6.002 -0.813 1.00 0.23 N ATOM 2809 CA ALA B 81 -3.400 6.514 0.541 1.00 0.23 C ATOM 2810 C ALA B 81 -2.014 6.772 1.124 1.00 0.23 C ATOM 2811 O ALA B 81 -1.819 7.704 1.897 1.00 0.28 O ATOM 2812 CB ALA B 81 -4.175 5.542 1.403 1.00 0.24 C ATOM 0 H ALA B 81 -3.594 5.024 -0.907 1.00 0.23 H new ATOM 0 HA ALA B 81 -3.923 7.470 0.520 1.00 0.23 H new ATOM 0 HB1 ALA B 81 -4.236 5.927 2.421 1.00 0.24 H new ATOM 0 HB2 ALA B 81 -5.181 5.420 1.000 1.00 0.24 H new ATOM 0 HB3 ALA B 81 -3.668 4.577 1.410 1.00 0.24 H new ATOM 2818 N LEU B 82 -1.059 5.935 0.748 1.00 0.22 N ATOM 2819 CA LEU B 82 0.327 6.105 1.155 1.00 0.23 C ATOM 2820 C LEU B 82 0.922 7.332 0.482 1.00 0.24 C ATOM 2821 O LEU B 82 1.687 8.088 1.092 1.00 0.30 O ATOM 2822 CB LEU B 82 1.138 4.864 0.791 1.00 0.25 C ATOM 2823 CG LEU B 82 0.802 3.596 1.573 1.00 0.27 C ATOM 2824 CD1 LEU B 82 1.550 2.416 0.994 1.00 0.33 C ATOM 2825 CD2 LEU B 82 1.143 3.770 3.040 1.00 0.32 C ATOM 0 H LEU B 82 -1.222 5.122 0.154 1.00 0.22 H new ATOM 0 HA LEU B 82 0.361 6.243 2.236 1.00 0.23 H new ATOM 0 HB2 LEU B 82 0.999 4.661 -0.271 1.00 0.25 H new ATOM 0 HB3 LEU B 82 2.195 5.088 0.936 1.00 0.25 H new ATOM 0 HG LEU B 82 -0.269 3.408 1.490 1.00 0.27 H new ATOM 0 HD11 LEU B 82 1.304 1.517 1.558 1.00 0.33 H new ATOM 0 HD12 LEU B 82 1.264 2.280 -0.049 1.00 0.33 H new ATOM 0 HD13 LEU B 82 2.623 2.600 1.054 1.00 0.33 H new ATOM 0 HD21 LEU B 82 0.897 2.857 3.582 1.00 0.32 H new ATOM 0 HD22 LEU B 82 2.208 3.978 3.144 1.00 0.32 H new ATOM 0 HD23 LEU B 82 0.570 4.601 3.451 1.00 0.32 H new ATOM 2837 N LYS B 83 0.581 7.521 -0.790 1.00 0.26 N ATOM 2838 CA LYS B 83 0.937 8.741 -1.494 1.00 0.33 C ATOM 2839 C LYS B 83 0.327 9.924 -0.769 1.00 0.31 C ATOM 2840 O LYS B 83 1.007 10.885 -0.469 1.00 0.44 O ATOM 2841 CB LYS B 83 0.446 8.720 -2.945 1.00 0.42 C ATOM 2842 CG LYS B 83 1.376 8.061 -3.959 1.00 0.66 C ATOM 2843 CD LYS B 83 2.792 8.632 -3.935 1.00 1.04 C ATOM 2844 CE LYS B 83 2.859 10.078 -4.384 1.00 0.80 C ATOM 2845 NZ LYS B 83 2.353 10.263 -5.773 1.00 1.67 N ATOM 0 H LYS B 83 0.060 6.845 -1.349 1.00 0.26 H new ATOM 0 HA LYS B 83 2.024 8.823 -1.512 1.00 0.33 H new ATOM 0 HB2 LYS B 83 -0.514 8.205 -2.975 1.00 0.42 H new ATOM 0 HB3 LYS B 83 0.266 9.748 -3.261 1.00 0.42 H new ATOM 0 HG2 LYS B 83 1.419 6.990 -3.760 1.00 0.66 H new ATOM 0 HG3 LYS B 83 0.959 8.183 -4.958 1.00 0.66 H new ATOM 0 HD2 LYS B 83 3.192 8.553 -2.924 1.00 1.04 H new ATOM 0 HD3 LYS B 83 3.432 8.028 -4.579 1.00 1.04 H new ATOM 0 HE2 LYS B 83 2.275 10.695 -3.702 1.00 0.80 H new ATOM 0 HE3 LYS B 83 3.890 10.427 -4.326 1.00 0.80 H new ATOM 0 HZ1 LYS B 83 2.573 11.226 -6.097 1.00 1.67 H new ATOM 0 HZ2 LYS B 83 2.809 9.573 -6.403 1.00 1.67 H new ATOM 0 HZ3 LYS B 83 1.323 10.119 -5.789 1.00 1.67 H new ATOM 2859 N ALA B 84 -0.956 9.824 -0.466 1.00 0.31 N ATOM 2860 CA ALA B 84 -1.664 10.868 0.260 1.00 0.35 C ATOM 2861 C ALA B 84 -1.087 11.083 1.660 1.00 0.33 C ATOM 2862 O ALA B 84 -1.296 12.126 2.259 1.00 0.40 O ATOM 2863 CB ALA B 84 -3.144 10.541 0.347 1.00 0.48 C ATOM 0 H ALA B 84 -1.535 9.022 -0.714 1.00 0.31 H new ATOM 0 HA ALA B 84 -1.534 11.797 -0.296 1.00 0.35 H new ATOM 0 HB1 ALA B 84 -3.660 11.331 0.893 1.00 0.48 H new ATOM 0 HB2 ALA B 84 -3.559 10.463 -0.658 1.00 0.48 H new ATOM 0 HB3 ALA B 84 -3.277 9.593 0.869 1.00 0.48 H new ATOM 2869 N ALA B 85 -0.391 10.085 2.189 1.00 0.30 N ATOM 2870 CA ALA B 85 0.188 10.184 3.523 1.00 0.38 C ATOM 2871 C ALA B 85 1.497 10.978 3.521 1.00 0.44 C ATOM 2872 O ALA B 85 1.646 11.933 4.280 1.00 0.57 O ATOM 2873 CB ALA B 85 0.403 8.797 4.107 1.00 0.42 C ATOM 0 H ALA B 85 -0.214 9.199 1.716 1.00 0.30 H new ATOM 0 HA ALA B 85 -0.518 10.728 4.150 1.00 0.38 H new ATOM 0 HB1 ALA B 85 0.836 8.885 5.103 1.00 0.42 H new ATOM 0 HB2 ALA B 85 -0.553 8.277 4.171 1.00 0.42 H new ATOM 0 HB3 ALA B 85 1.080 8.233 3.466 1.00 0.42 H new ATOM 2879 N HIS B 86 2.451 10.590 2.677 1.00 0.44 N ATOM 2880 CA HIS B 86 3.750 11.267 2.651 1.00 0.59 C ATOM 2881 C HIS B 86 3.691 12.507 1.759 1.00 0.63 C ATOM 2882 O HIS B 86 4.251 13.554 2.070 1.00 0.72 O ATOM 2883 CB HIS B 86 4.858 10.296 2.191 1.00 0.69 C ATOM 2884 CG HIS B 86 5.189 10.318 0.724 1.00 1.28 C ATOM 2885 ND1 HIS B 86 6.123 11.170 0.182 1.00 2.06 N ATOM 2886 CD2 HIS B 86 4.720 9.575 -0.307 1.00 2.11 C ATOM 2887 CE1 HIS B 86 6.215 10.956 -1.113 1.00 2.66 C ATOM 2888 NE2 HIS B 86 5.377 9.993 -1.440 1.00 2.68 N ATOM 0 H HIS B 86 2.354 9.823 2.011 1.00 0.44 H new ATOM 0 HA HIS B 86 3.993 11.595 3.662 1.00 0.59 H new ATOM 0 HB2 HIS B 86 5.766 10.521 2.751 1.00 0.69 H new ATOM 0 HB3 HIS B 86 4.560 9.283 2.460 1.00 0.69 H new ATOM 0 HD2 HIS B 86 3.970 8.800 -0.250 1.00 2.11 H new ATOM 0 HE1 HIS B 86 6.868 11.482 -1.794 1.00 2.66 H new ATOM 0 HE2 HIS B 86 5.239 9.619 -2.379 1.00 2.68 H new ATOM 2897 N TYR B 87 2.984 12.356 0.659 1.00 0.58 N ATOM 2898 CA TYR B 87 2.751 13.414 -0.317 1.00 0.65 C ATOM 2899 C TYR B 87 1.481 14.176 0.069 1.00 0.62 C ATOM 2900 O TYR B 87 0.776 14.695 -0.792 1.00 0.66 O ATOM 2901 CB TYR B 87 2.662 12.837 -1.738 1.00 0.69 C ATOM 2902 CG TYR B 87 2.755 13.870 -2.839 1.00 0.87 C ATOM 2903 CD1 TYR B 87 3.941 14.553 -3.078 1.00 1.63 C ATOM 2904 CD2 TYR B 87 1.660 14.158 -3.642 1.00 1.43 C ATOM 2905 CE1 TYR B 87 4.030 15.495 -4.083 1.00 1.80 C ATOM 2906 CE2 TYR B 87 1.742 15.097 -4.648 1.00 1.54 C ATOM 2907 CZ TYR B 87 2.927 15.764 -4.866 1.00 1.29 C ATOM 2908 OH TYR B 87 3.009 16.704 -5.868 1.00 1.51 O ATOM 0 H TYR B 87 2.541 11.472 0.407 1.00 0.58 H new ATOM 0 HA TYR B 87 3.590 14.110 -0.313 1.00 0.65 H new ATOM 0 HB2 TYR B 87 3.461 12.108 -1.872 1.00 0.69 H new ATOM 0 HB3 TYR B 87 1.720 12.299 -1.840 1.00 0.69 H new ATOM 0 HD1 TYR B 87 4.807 14.344 -2.468 1.00 1.63 H new ATOM 0 HD2 TYR B 87 0.728 13.638 -3.476 1.00 1.43 H new ATOM 0 HE1 TYR B 87 4.959 16.019 -4.255 1.00 1.80 H new ATOM 0 HE2 TYR B 87 0.880 15.309 -5.263 1.00 1.54 H new ATOM 0 HH TYR B 87 2.145 16.771 -6.325 1.00 1.51 H new ATOM 2918 N HIS B 88 1.150 14.087 1.368 1.00 0.59 N ATOM 2919 CA HIS B 88 -0.052 14.678 2.009 1.00 0.62 C ATOM 2920 C HIS B 88 -0.316 16.164 1.668 1.00 0.70 C ATOM 2921 O HIS B 88 -1.019 16.858 2.401 1.00 0.76 O ATOM 2922 CB HIS B 88 0.082 14.521 3.536 1.00 0.65 C ATOM 2923 CG HIS B 88 -1.194 14.713 4.311 1.00 1.54 C ATOM 2924 ND1 HIS B 88 -1.394 15.759 5.187 1.00 2.37 N ATOM 2925 CD2 HIS B 88 -2.327 13.972 4.358 1.00 2.40 C ATOM 2926 CE1 HIS B 88 -2.588 15.652 5.736 1.00 3.26 C ATOM 2927 NE2 HIS B 88 -3.178 14.576 5.252 1.00 3.27 N ATOM 0 H HIS B 88 1.733 13.581 2.034 1.00 0.59 H new ATOM 0 HA HIS B 88 -0.908 14.135 1.609 1.00 0.62 H new ATOM 0 HB2 HIS B 88 0.473 13.527 3.751 1.00 0.65 H new ATOM 0 HB3 HIS B 88 0.819 15.238 3.896 1.00 0.65 H new ATOM 0 HD2 HIS B 88 -2.525 13.071 3.796 1.00 2.40 H new ATOM 0 HE1 HIS B 88 -3.012 16.331 6.461 1.00 3.26 H new ATOM 0 HE2 HIS B 88 -4.111 14.247 5.500 1.00 3.27 H new ATOM 2936 N THR B 89 0.244 16.660 0.583 1.00 0.73 N ATOM 2937 CA THR B 89 -0.074 17.991 0.118 1.00 0.81 C ATOM 2938 C THR B 89 -1.452 17.956 -0.535 1.00 0.72 C ATOM 2939 O THR B 89 -2.215 18.913 -0.438 1.00 1.05 O ATOM 2940 CB THR B 89 0.988 18.526 -0.875 1.00 0.97 C ATOM 2941 OG1 THR B 89 0.613 19.821 -1.358 1.00 1.27 O ATOM 2942 CG2 THR B 89 1.181 17.576 -2.052 1.00 0.90 C ATOM 0 H THR B 89 0.922 16.160 0.008 1.00 0.73 H new ATOM 0 HA THR B 89 -0.076 18.672 0.969 1.00 0.81 H new ATOM 0 HB THR B 89 1.933 18.600 -0.336 1.00 0.97 H new ATOM 0 HG1 THR B 89 1.294 20.147 -1.983 1.00 1.27 H new ATOM 0 HG21 THR B 89 1.933 17.983 -2.728 1.00 0.90 H new ATOM 0 HG22 THR B 89 1.511 16.604 -1.685 1.00 0.90 H new ATOM 0 HG23 THR B 89 0.237 17.461 -2.585 1.00 0.90 H new ATOM 2950 N HIS B 90 -1.765 16.803 -1.142 1.00 0.66 N ATOM 2951 CA HIS B 90 -3.044 16.554 -1.811 1.00 0.65 C ATOM 2952 C HIS B 90 -3.045 15.165 -2.440 1.00 0.94 C ATOM 2953 O HIS B 90 -3.918 14.344 -2.164 1.00 1.78 O ATOM 2954 CB HIS B 90 -3.335 17.573 -2.928 1.00 0.91 C ATOM 2955 CG HIS B 90 -4.122 18.774 -2.500 1.00 1.72 C ATOM 2956 ND1 HIS B 90 -3.703 20.066 -2.732 1.00 2.44 N ATOM 2957 CD2 HIS B 90 -5.311 18.876 -1.862 1.00 2.68 C ATOM 2958 CE1 HIS B 90 -4.596 20.910 -2.252 1.00 3.32 C ATOM 2959 NE2 HIS B 90 -5.581 20.213 -1.721 1.00 3.47 N ATOM 0 H HIS B 90 -1.127 16.008 -1.181 1.00 0.66 H new ATOM 0 HA HIS B 90 -3.813 16.643 -1.044 1.00 0.65 H new ATOM 0 HB2 HIS B 90 -2.387 17.909 -3.348 1.00 0.91 H new ATOM 0 HB3 HIS B 90 -3.877 17.068 -3.728 1.00 0.91 H new ATOM 0 HD2 HIS B 90 -5.931 18.058 -1.527 1.00 2.68 H new ATOM 0 HE1 HIS B 90 -4.531 21.987 -2.288 1.00 3.32 H new ATOM 0 HE2 HIS B 90 -6.411 20.605 -1.276 1.00 3.47 H new