USER MOD reduce.3.24.130724 H: found=0, std=0, add=1224, rem=0, adj=36 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: B 89 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: B 90 HIS :FLIP no HD1:sc= -0.357 F(o=-1.1,f=-0.36) USER MOD Set 2.1: A 89 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 90 HIS :FLIP no HD1:sc= -0.353 F(o=-1.1,f=-0.35) USER MOD Single : A 7 HIS : no HE2:sc= -0.961 K(o=-0.96,f=-6.6!) USER MOD Single : A 13 ASN : amide:sc= 0 X(o=0,f=-0.38) USER MOD Single : A 16 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 17 GLN : amide:sc= 0.24 X(o=0.24,f=-0.034) USER MOD Single : A 29 SER OG : rot -79:sc= 0.402 USER MOD Single : A 30 LYS NZ :NH3+ 158:sc= 0.109 (180deg=-1.03!) USER MOD Single : A 34 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0528) USER MOD Single : A 35 GLN : amide:sc= 0 X(o=0,f=-0.44) USER MOD Single : A 38 THR OG1 : rot 180:sc= -0.305 USER MOD Single : A 39 LYS NZ :NH3+ 175:sc= 0.0293 (180deg=-0.0319) USER MOD Single : A 43 ASN : amide:sc= -0.231 X(o=-0.23,f=-0.58) USER MOD Single : A 44 THR OG1 : rot -67:sc= 1.05 USER MOD Single : A 46 LYS NZ :NH3+ -165:sc= 0.0244 (180deg=-0.164) USER MOD Single : A 47 ASN :FLIP amide:sc= -0.014 F(o=-1.6!,f=-0.014) USER MOD Single : A 49 LYS NZ :NH3+ -160:sc= -0.088 (180deg=-0.414) USER MOD Single : A 51 LYS NZ :NH3+ -138:sc= -0.105 (180deg=-0.444) USER MOD Single : A 59 GLN : amide:sc= 0 K(o=0,f=-0.6) USER MOD Single : A 64 ASN : amide:sc= -0.14 X(o=-0.14,f=-0.62) USER MOD Single : A 65 GLN :FLIP amide:sc= 0 F(o=-0.89,f=0) USER MOD Single : A 68 GLN : amide:sc=-0.00739 K(o=-0.0074,f=-1.1) USER MOD Single : A 72 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 76 SER OG : rot 65:sc= 0.117 USER MOD Single : A 83 LYS NZ :NH3+ -123:sc= -1.33 (180deg=-3.92!) USER MOD Single : A 86 HIS : no HD1:sc= -1.04 X(o=-1,f=-1.2) USER MOD Single : A 87 TYR OH : rot 180:sc= 0 USER MOD Single : A 88 HIS :FLIP no HE2:sc= 0.0903 F(o=-0.54,f=0.09) USER MOD Single : B 7 HIS : no HE2:sc= -0.927 K(o=-0.93,f=-6.8!) USER MOD Single : B 13 ASN : amide:sc= 0 X(o=0,f=-0.39) USER MOD Single : B 16 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 17 GLN : amide:sc= 0.267 X(o=0.27,f=-0.016) USER MOD Single : B 29 SER OG : rot -76:sc= 0.363 USER MOD Single : B 30 LYS NZ :NH3+ 160:sc= 0.333 (180deg=-1.09!) USER MOD Single : B 34 LYS NZ :NH3+ 174:sc=-0.000657 (180deg=-0.0347) USER MOD Single : B 35 GLN : amide:sc= 0 X(o=0,f=-0.41) USER MOD Single : B 38 THR OG1 : rot 180:sc= -0.298 USER MOD Single : B 39 LYS NZ :NH3+ 178:sc= 0.122 (180deg=0.0768) USER MOD Single : B 43 ASN : amide:sc= -0.194 X(o=-0.19,f=-0.55) USER MOD Single : B 44 THR OG1 : rot -66:sc= 1.04 USER MOD Single : B 46 LYS NZ :NH3+ -167:sc= 0.0773 (180deg=-0.21) USER MOD Single : B 47 ASN :FLIP amide:sc= -0.0179 F(o=-1.7!,f=-0.018) USER MOD Single : B 49 LYS NZ :NH3+ -127:sc= -0.0485 (180deg=-0.392) USER MOD Single : B 51 LYS NZ :NH3+ -162:sc= -0.118 (180deg=-0.434) USER MOD Single : B 59 GLN : amide:sc= 0 K(o=0,f=-0.69) USER MOD Single : B 64 ASN : amide:sc= -0.187 X(o=-0.19,f=-0.61) USER MOD Single : B 65 GLN :FLIP amide:sc= 0 F(o=-0.89,f=0) USER MOD Single : B 68 GLN : amide:sc=-0.00727 K(o=-0.0073,f=-1) USER MOD Single : B 72 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 76 SER OG : rot 65:sc= 0.129 USER MOD Single : B 83 LYS NZ :NH3+ -125:sc= -1.35 (180deg=-3.87!) USER MOD Single : B 86 HIS : no HD1:sc= -1.02 X(o=-1,f=-1.1) USER MOD Single : B 87 TYR OH : rot 180:sc= 0 USER MOD Single : B 88 HIS :FLIP no HE2:sc= 0.102 F(o=-0.54,f=0.1) USER MOD ----------------------------------------------------------------- ATOM 75 N GLU A 5 -5.046 7.641 9.272 1.00 1.20 N ATOM 76 CA GLU A 5 -4.733 6.234 9.096 1.00 0.93 C ATOM 77 C GLU A 5 -3.317 5.932 9.577 1.00 0.69 C ATOM 78 O GLU A 5 -2.345 6.538 9.125 1.00 0.68 O ATOM 79 CB GLU A 5 -4.914 5.839 7.634 1.00 1.39 C ATOM 80 CG GLU A 5 -5.505 4.450 7.448 1.00 1.80 C ATOM 81 CD GLU A 5 -4.625 3.372 8.028 1.00 2.48 C ATOM 82 OE1 GLU A 5 -3.669 2.964 7.353 1.00 3.10 O ATOM 83 OE2 GLU A 5 -4.870 2.943 9.176 1.00 3.00 O ATOM 0 HA GLU A 5 -5.420 5.642 9.700 1.00 0.93 H new ATOM 0 HB2 GLU A 5 -5.561 6.568 7.147 1.00 1.39 H new ATOM 0 HB3 GLU A 5 -3.948 5.884 7.132 1.00 1.39 H new ATOM 0 HG2 GLU A 5 -6.486 4.409 7.921 1.00 1.80 H new ATOM 0 HG3 GLU A 5 -5.655 4.261 6.385 1.00 1.80 H new ATOM 90 N GLU A 6 -3.218 4.985 10.496 1.00 0.68 N ATOM 91 CA GLU A 6 -1.969 4.690 11.181 1.00 0.67 C ATOM 92 C GLU A 6 -1.062 3.811 10.324 1.00 0.54 C ATOM 93 O GLU A 6 0.162 3.874 10.429 1.00 0.60 O ATOM 94 CB GLU A 6 -2.278 4.002 12.514 1.00 0.78 C ATOM 95 CG GLU A 6 -1.066 3.774 13.399 1.00 1.07 C ATOM 96 CD GLU A 6 -0.393 5.064 13.817 1.00 1.79 C ATOM 97 OE1 GLU A 6 -0.988 5.814 14.618 1.00 2.51 O ATOM 98 OE2 GLU A 6 0.729 5.333 13.344 1.00 2.48 O ATOM 0 H GLU A 6 -4.000 4.399 10.788 1.00 0.68 H new ATOM 0 HA GLU A 6 -1.439 5.625 11.365 1.00 0.67 H new ATOM 0 HB2 GLU A 6 -3.003 4.605 13.060 1.00 0.78 H new ATOM 0 HB3 GLU A 6 -2.751 3.041 12.312 1.00 0.78 H new ATOM 0 HG2 GLU A 6 -1.370 3.223 14.289 1.00 1.07 H new ATOM 0 HG3 GLU A 6 -0.347 3.150 12.869 1.00 1.07 H new ATOM 105 N HIS A 7 -1.662 3.013 9.457 1.00 0.42 N ATOM 106 CA HIS A 7 -0.900 2.070 8.654 1.00 0.38 C ATOM 107 C HIS A 7 -0.268 2.790 7.471 1.00 0.35 C ATOM 108 O HIS A 7 0.933 2.673 7.241 1.00 0.39 O ATOM 109 CB HIS A 7 -1.787 0.919 8.169 1.00 0.43 C ATOM 110 CG HIS A 7 -2.544 0.230 9.265 1.00 0.95 C ATOM 111 ND1 HIS A 7 -3.778 0.655 9.707 1.00 1.73 N ATOM 112 CD2 HIS A 7 -2.242 -0.862 10.004 1.00 1.60 C ATOM 113 CE1 HIS A 7 -4.200 -0.142 10.668 1.00 2.16 C ATOM 114 NE2 HIS A 7 -3.289 -1.070 10.866 1.00 2.03 N ATOM 0 H HIS A 7 -2.668 2.998 9.291 1.00 0.42 H new ATOM 0 HA HIS A 7 -0.111 1.646 9.275 1.00 0.38 H new ATOM 0 HB2 HIS A 7 -2.497 1.304 7.437 1.00 0.43 H new ATOM 0 HB3 HIS A 7 -1.165 0.186 7.654 1.00 0.43 H new ATOM 0 HD1 HIS A 7 -4.287 1.462 9.346 1.00 1.73 H new ATOM 0 HD2 HIS A 7 -1.345 -1.458 9.929 1.00 1.60 H new ATOM 0 HE1 HIS A 7 -5.134 -0.049 11.202 1.00 2.16 H new ATOM 123 N LEU A 8 -1.084 3.547 6.737 1.00 0.34 N ATOM 124 CA LEU A 8 -0.608 4.353 5.608 1.00 0.32 C ATOM 125 C LEU A 8 0.537 5.259 6.015 1.00 0.33 C ATOM 126 O LEU A 8 1.652 5.161 5.496 1.00 0.33 O ATOM 127 CB LEU A 8 -1.731 5.238 5.092 1.00 0.33 C ATOM 128 CG LEU A 8 -2.997 4.506 4.679 1.00 0.32 C ATOM 129 CD1 LEU A 8 -4.058 5.506 4.278 1.00 0.32 C ATOM 130 CD2 LEU A 8 -2.712 3.528 3.552 1.00 0.33 C ATOM 0 H LEU A 8 -2.087 3.620 6.905 1.00 0.34 H new ATOM 0 HA LEU A 8 -0.269 3.659 4.839 1.00 0.32 H new ATOM 0 HB2 LEU A 8 -1.986 5.962 5.866 1.00 0.33 H new ATOM 0 HB3 LEU A 8 -1.362 5.803 4.236 1.00 0.33 H new ATOM 0 HG LEU A 8 -3.365 3.930 5.528 1.00 0.32 H new ATOM 0 HD11 LEU A 8 -4.964 4.977 3.983 1.00 0.32 H new ATOM 0 HD12 LEU A 8 -4.279 6.160 5.121 1.00 0.32 H new ATOM 0 HD13 LEU A 8 -3.697 6.103 3.440 1.00 0.32 H new ATOM 0 HD21 LEU A 8 -3.633 3.016 3.273 1.00 0.33 H new ATOM 0 HD22 LEU A 8 -2.323 4.070 2.690 1.00 0.33 H new ATOM 0 HD23 LEU A 8 -1.976 2.796 3.883 1.00 0.33 H new ATOM 142 N GLU A 9 0.247 6.139 6.960 1.00 0.37 N ATOM 143 CA GLU A 9 1.208 7.122 7.415 1.00 0.40 C ATOM 144 C GLU A 9 2.357 6.443 8.143 1.00 0.40 C ATOM 145 O GLU A 9 3.456 6.990 8.239 1.00 0.42 O ATOM 146 CB GLU A 9 0.512 8.142 8.309 1.00 0.47 C ATOM 147 CG GLU A 9 -0.590 8.908 7.591 1.00 1.24 C ATOM 148 CD GLU A 9 -1.395 9.792 8.516 1.00 1.72 C ATOM 149 OE1 GLU A 9 -0.835 10.258 9.534 1.00 2.17 O ATOM 150 OE2 GLU A 9 -2.591 10.021 8.239 1.00 2.41 O ATOM 0 H GLU A 9 -0.657 6.189 7.429 1.00 0.37 H new ATOM 0 HA GLU A 9 1.625 7.645 6.555 1.00 0.40 H new ATOM 0 HB2 GLU A 9 0.088 7.630 9.173 1.00 0.47 H new ATOM 0 HB3 GLU A 9 1.250 8.849 8.688 1.00 0.47 H new ATOM 0 HG2 GLU A 9 -0.147 9.521 6.806 1.00 1.24 H new ATOM 0 HG3 GLU A 9 -1.258 8.199 7.102 1.00 1.24 H new ATOM 157 N GLY A 10 2.094 5.241 8.639 1.00 0.40 N ATOM 158 CA GLY A 10 3.130 4.449 9.258 1.00 0.43 C ATOM 159 C GLY A 10 4.108 3.904 8.238 1.00 0.39 C ATOM 160 O GLY A 10 5.305 3.865 8.489 1.00 0.44 O ATOM 0 H GLY A 10 1.174 4.801 8.621 1.00 0.40 H new ATOM 0 HA2 GLY A 10 3.666 5.057 9.986 1.00 0.43 H new ATOM 0 HA3 GLY A 10 2.677 3.622 9.805 1.00 0.43 H new ATOM 164 N ILE A 11 3.602 3.488 7.081 1.00 0.34 N ATOM 165 CA ILE A 11 4.461 2.997 6.005 1.00 0.33 C ATOM 166 C ILE A 11 5.317 4.138 5.469 1.00 0.33 C ATOM 167 O ILE A 11 6.516 3.982 5.254 1.00 0.38 O ATOM 168 CB ILE A 11 3.643 2.366 4.858 1.00 0.35 C ATOM 169 CG1 ILE A 11 2.846 1.170 5.384 1.00 0.41 C ATOM 170 CG2 ILE A 11 4.557 1.936 3.719 1.00 0.50 C ATOM 171 CD1 ILE A 11 1.933 0.538 4.359 1.00 1.16 C ATOM 0 H ILE A 11 2.606 3.480 6.863 1.00 0.34 H new ATOM 0 HA ILE A 11 5.102 2.218 6.418 1.00 0.33 H new ATOM 0 HB ILE A 11 2.949 3.112 4.472 1.00 0.35 H new ATOM 0 HG12 ILE A 11 3.542 0.415 5.749 1.00 0.41 H new ATOM 0 HG13 ILE A 11 2.249 1.492 6.237 1.00 0.41 H new ATOM 0 HG21 ILE A 11 3.961 1.494 2.921 1.00 0.50 H new ATOM 0 HG22 ILE A 11 5.092 2.804 3.334 1.00 0.50 H new ATOM 0 HG23 ILE A 11 5.274 1.202 4.085 1.00 0.50 H new ATOM 0 HD11 ILE A 11 1.405 -0.302 4.811 1.00 1.16 H new ATOM 0 HD12 ILE A 11 1.211 1.276 4.011 1.00 1.16 H new ATOM 0 HD13 ILE A 11 2.524 0.183 3.515 1.00 1.16 H new ATOM 183 N VAL A 12 4.680 5.284 5.261 1.00 0.33 N ATOM 184 CA VAL A 12 5.374 6.529 4.974 1.00 0.38 C ATOM 185 C VAL A 12 6.490 6.784 5.993 1.00 0.40 C ATOM 186 O VAL A 12 7.616 7.138 5.630 1.00 0.45 O ATOM 187 CB VAL A 12 4.353 7.679 4.993 1.00 0.45 C ATOM 188 CG1 VAL A 12 5.019 9.041 5.037 1.00 0.57 C ATOM 189 CG2 VAL A 12 3.452 7.559 3.781 1.00 0.48 C ATOM 0 H VAL A 12 3.664 5.374 5.287 1.00 0.33 H new ATOM 0 HA VAL A 12 5.839 6.464 3.990 1.00 0.38 H new ATOM 0 HB VAL A 12 3.761 7.596 5.905 1.00 0.45 H new ATOM 0 HG11 VAL A 12 4.256 9.819 5.049 1.00 0.57 H new ATOM 0 HG12 VAL A 12 5.630 9.118 5.936 1.00 0.57 H new ATOM 0 HG13 VAL A 12 5.650 9.166 4.157 1.00 0.57 H new ATOM 0 HG21 VAL A 12 2.725 8.371 3.787 1.00 0.48 H new ATOM 0 HG22 VAL A 12 4.053 7.617 2.874 1.00 0.48 H new ATOM 0 HG23 VAL A 12 2.929 6.603 3.810 1.00 0.48 H new ATOM 199 N ASN A 13 6.170 6.571 7.264 1.00 0.42 N ATOM 200 CA ASN A 13 7.138 6.732 8.341 1.00 0.48 C ATOM 201 C ASN A 13 8.280 5.726 8.208 1.00 0.48 C ATOM 202 O ASN A 13 9.439 6.077 8.384 1.00 0.58 O ATOM 203 CB ASN A 13 6.454 6.567 9.698 1.00 0.61 C ATOM 204 CG ASN A 13 7.412 6.719 10.866 1.00 0.75 C ATOM 205 OD1 ASN A 13 8.368 7.496 10.810 1.00 1.31 O ATOM 206 ND2 ASN A 13 7.160 5.979 11.933 1.00 1.42 N ATOM 0 H ASN A 13 5.242 6.285 7.575 1.00 0.42 H new ATOM 0 HA ASN A 13 7.555 7.736 8.271 1.00 0.48 H new ATOM 0 HB2 ASN A 13 5.658 7.305 9.790 1.00 0.61 H new ATOM 0 HB3 ASN A 13 5.985 5.584 9.745 1.00 0.61 H new ATOM 0 HD21 ASN A 13 7.767 6.039 12.750 1.00 1.42 H new ATOM 0 HD22 ASN A 13 6.358 5.348 11.939 1.00 1.42 H new ATOM 213 N ILE A 14 7.945 4.480 7.881 1.00 0.47 N ATOM 214 CA ILE A 14 8.951 3.431 7.716 1.00 0.57 C ATOM 215 C ILE A 14 9.854 3.737 6.520 1.00 0.53 C ATOM 216 O ILE A 14 11.065 3.486 6.555 1.00 0.60 O ATOM 217 CB ILE A 14 8.302 2.035 7.544 1.00 0.68 C ATOM 218 CG1 ILE A 14 7.420 1.700 8.750 1.00 1.33 C ATOM 219 CG2 ILE A 14 9.367 0.962 7.359 1.00 1.14 C ATOM 220 CD1 ILE A 14 8.155 1.714 10.075 1.00 2.06 C ATOM 0 H ILE A 14 6.985 4.171 7.725 1.00 0.47 H new ATOM 0 HA ILE A 14 9.552 3.412 8.625 1.00 0.57 H new ATOM 0 HB ILE A 14 7.679 2.060 6.650 1.00 0.68 H new ATOM 0 HG12 ILE A 14 6.598 2.414 8.795 1.00 1.33 H new ATOM 0 HG13 ILE A 14 6.979 0.714 8.602 1.00 1.33 H new ATOM 0 HG21 ILE A 14 8.888 -0.010 7.240 1.00 1.14 H new ATOM 0 HG22 ILE A 14 9.959 1.186 6.471 1.00 1.14 H new ATOM 0 HG23 ILE A 14 10.018 0.941 8.233 1.00 1.14 H new ATOM 0 HD11 ILE A 14 7.461 1.467 10.879 1.00 2.06 H new ATOM 0 HD12 ILE A 14 8.960 0.980 10.052 1.00 2.06 H new ATOM 0 HD13 ILE A 14 8.573 2.706 10.249 1.00 2.06 H new ATOM 232 N PHE A 15 9.262 4.304 5.475 1.00 0.48 N ATOM 233 CA PHE A 15 10.012 4.748 4.307 1.00 0.58 C ATOM 234 C PHE A 15 11.067 5.773 4.713 1.00 0.60 C ATOM 235 O PHE A 15 12.129 5.860 4.109 1.00 0.70 O ATOM 236 CB PHE A 15 9.059 5.350 3.271 1.00 0.68 C ATOM 237 CG PHE A 15 9.752 5.929 2.071 1.00 1.18 C ATOM 238 CD1 PHE A 15 10.263 5.105 1.082 1.00 1.74 C ATOM 239 CD2 PHE A 15 9.896 7.300 1.936 1.00 1.93 C ATOM 240 CE1 PHE A 15 10.902 5.637 -0.019 1.00 2.35 C ATOM 241 CE2 PHE A 15 10.535 7.838 0.839 1.00 2.54 C ATOM 242 CZ PHE A 15 11.039 7.006 -0.141 1.00 2.57 C ATOM 0 H PHE A 15 8.257 4.468 5.414 1.00 0.48 H new ATOM 0 HA PHE A 15 10.516 3.888 3.865 1.00 0.58 H new ATOM 0 HB2 PHE A 15 8.364 4.579 2.940 1.00 0.68 H new ATOM 0 HB3 PHE A 15 8.466 6.130 3.748 1.00 0.68 H new ATOM 0 HD1 PHE A 15 10.160 4.034 1.174 1.00 1.74 H new ATOM 0 HD2 PHE A 15 9.503 7.955 2.699 1.00 1.93 H new ATOM 0 HE1 PHE A 15 11.295 4.984 -0.784 1.00 2.35 H new ATOM 0 HE2 PHE A 15 10.641 8.909 0.746 1.00 2.54 H new ATOM 0 HZ PHE A 15 11.539 7.425 -1.001 1.00 2.57 H new ATOM 252 N HIS A 16 10.751 6.550 5.737 1.00 0.59 N ATOM 253 CA HIS A 16 11.688 7.516 6.298 1.00 0.71 C ATOM 254 C HIS A 16 12.593 6.840 7.338 1.00 0.75 C ATOM 255 O HIS A 16 13.684 7.317 7.645 1.00 0.88 O ATOM 256 CB HIS A 16 10.897 8.668 6.935 1.00 0.77 C ATOM 257 CG HIS A 16 11.729 9.836 7.371 1.00 1.15 C ATOM 258 ND1 HIS A 16 11.927 10.952 6.587 1.00 1.82 N ATOM 259 CD2 HIS A 16 12.394 10.072 8.526 1.00 1.84 C ATOM 260 CE1 HIS A 16 12.675 11.820 7.240 1.00 2.22 C ATOM 261 NE2 HIS A 16 12.972 11.311 8.420 1.00 2.23 N ATOM 0 H HIS A 16 9.843 6.531 6.202 1.00 0.59 H new ATOM 0 HA HIS A 16 12.324 7.911 5.506 1.00 0.71 H new ATOM 0 HB2 HIS A 16 10.152 9.017 6.220 1.00 0.77 H new ATOM 0 HB3 HIS A 16 10.355 8.284 7.799 1.00 0.77 H new ATOM 0 HD2 HIS A 16 12.458 9.407 9.375 1.00 1.84 H new ATOM 0 HE1 HIS A 16 12.991 12.785 6.871 1.00 2.22 H new ATOM 0 HE2 HIS A 16 13.539 11.765 9.136 1.00 2.23 H new ATOM 270 N GLN A 17 12.127 5.711 7.854 1.00 0.69 N ATOM 271 CA GLN A 17 12.758 5.032 8.983 1.00 0.81 C ATOM 272 C GLN A 17 13.980 4.213 8.566 1.00 0.93 C ATOM 273 O GLN A 17 14.815 3.890 9.414 1.00 1.18 O ATOM 274 CB GLN A 17 11.736 4.118 9.669 1.00 0.85 C ATOM 275 CG GLN A 17 12.248 3.433 10.927 1.00 1.27 C ATOM 276 CD GLN A 17 12.576 4.413 12.035 1.00 1.99 C ATOM 277 OE1 GLN A 17 11.726 4.744 12.861 1.00 2.60 O ATOM 278 NE2 GLN A 17 13.811 4.879 12.063 1.00 2.77 N ATOM 0 H GLN A 17 11.296 5.236 7.501 1.00 0.69 H new ATOM 0 HA GLN A 17 13.103 5.802 9.673 1.00 0.81 H new ATOM 0 HB2 GLN A 17 10.855 4.706 9.924 1.00 0.85 H new ATOM 0 HB3 GLN A 17 11.416 3.355 8.960 1.00 0.85 H new ATOM 0 HG2 GLN A 17 11.497 2.727 11.282 1.00 1.27 H new ATOM 0 HG3 GLN A 17 13.139 2.855 10.684 1.00 1.27 H new ATOM 0 HE21 GLN A 17 14.485 4.579 11.359 1.00 2.77 H new ATOM 0 HE22 GLN A 17 14.091 5.539 12.789 1.00 2.77 H new ATOM 452 N LEU A 28 16.703 6.482 -3.483 1.00 1.14 N ATOM 453 CA LEU A 28 16.154 5.237 -2.931 1.00 0.90 C ATOM 454 C LEU A 28 16.478 4.045 -3.830 1.00 0.71 C ATOM 455 O LEU A 28 15.683 3.653 -4.680 1.00 0.76 O ATOM 456 CB LEU A 28 14.636 5.327 -2.711 1.00 1.66 C ATOM 457 CG LEU A 28 14.170 6.132 -1.490 1.00 2.02 C ATOM 458 CD1 LEU A 28 14.901 5.689 -0.231 1.00 2.91 C ATOM 459 CD2 LEU A 28 14.342 7.625 -1.717 1.00 2.37 C ATOM 0 HA LEU A 28 16.629 5.088 -1.961 1.00 0.90 H new ATOM 0 HB2 LEU A 28 14.187 5.767 -3.602 1.00 1.66 H new ATOM 0 HB3 LEU A 28 14.243 4.314 -2.623 1.00 1.66 H new ATOM 0 HG LEU A 28 13.107 5.934 -1.351 1.00 2.02 H new ATOM 0 HD11 LEU A 28 14.551 6.276 0.618 1.00 2.91 H new ATOM 0 HD12 LEU A 28 14.703 4.633 -0.048 1.00 2.91 H new ATOM 0 HD13 LEU A 28 15.973 5.841 -0.360 1.00 2.91 H new ATOM 0 HD21 LEU A 28 14.003 8.169 -0.835 1.00 2.37 H new ATOM 0 HD22 LEU A 28 15.394 7.847 -1.898 1.00 2.37 H new ATOM 0 HD23 LEU A 28 13.752 7.932 -2.581 1.00 2.37 H new ATOM 471 N SER A 29 17.642 3.465 -3.636 1.00 0.61 N ATOM 472 CA SER A 29 18.069 2.353 -4.463 1.00 0.49 C ATOM 473 C SER A 29 17.798 1.020 -3.772 1.00 0.44 C ATOM 474 O SER A 29 17.136 0.981 -2.731 1.00 0.53 O ATOM 475 CB SER A 29 19.544 2.492 -4.807 1.00 0.55 C ATOM 476 OG SER A 29 19.807 3.772 -5.357 1.00 1.35 O ATOM 0 H SER A 29 18.309 3.742 -2.916 1.00 0.61 H new ATOM 0 HA SER A 29 17.492 2.371 -5.387 1.00 0.49 H new ATOM 0 HB2 SER A 29 20.148 2.343 -3.912 1.00 0.55 H new ATOM 0 HB3 SER A 29 19.832 1.718 -5.518 1.00 0.55 H new ATOM 0 HG SER A 29 19.538 3.785 -6.299 1.00 1.35 H new ATOM 482 N LYS A 30 18.294 -0.074 -4.344 1.00 0.38 N ATOM 483 CA LYS A 30 18.014 -1.393 -3.796 1.00 0.36 C ATOM 484 C LYS A 30 18.642 -1.547 -2.419 1.00 0.36 C ATOM 485 O LYS A 30 18.162 -2.326 -1.616 1.00 0.37 O ATOM 486 CB LYS A 30 18.513 -2.509 -4.714 1.00 0.39 C ATOM 487 CG LYS A 30 17.806 -3.840 -4.472 1.00 0.41 C ATOM 488 CD LYS A 30 18.589 -5.026 -5.021 1.00 0.50 C ATOM 489 CE LYS A 30 18.985 -4.823 -6.473 1.00 0.52 C ATOM 490 NZ LYS A 30 19.650 -6.014 -7.060 1.00 1.32 N ATOM 0 H LYS A 30 18.884 -0.072 -5.176 1.00 0.38 H new ATOM 0 HA LYS A 30 16.931 -1.480 -3.712 1.00 0.36 H new ATOM 0 HB2 LYS A 30 18.368 -2.210 -5.752 1.00 0.39 H new ATOM 0 HB3 LYS A 30 19.585 -2.641 -4.567 1.00 0.39 H new ATOM 0 HG2 LYS A 30 17.651 -3.976 -3.402 1.00 0.41 H new ATOM 0 HG3 LYS A 30 16.820 -3.814 -4.936 1.00 0.41 H new ATOM 0 HD2 LYS A 30 19.485 -5.179 -4.419 1.00 0.50 H new ATOM 0 HD3 LYS A 30 17.987 -5.930 -4.932 1.00 0.50 H new ATOM 0 HE2 LYS A 30 18.096 -4.584 -7.057 1.00 0.52 H new ATOM 0 HE3 LYS A 30 19.654 -3.966 -6.546 1.00 0.52 H new ATOM 0 HZ1 LYS A 30 19.565 -5.984 -8.096 1.00 1.32 H new ATOM 0 HZ2 LYS A 30 20.656 -6.016 -6.795 1.00 1.32 H new ATOM 0 HZ3 LYS A 30 19.196 -6.878 -6.701 1.00 1.32 H new ATOM 504 N GLY A 31 19.707 -0.799 -2.151 1.00 0.39 N ATOM 505 CA GLY A 31 20.365 -0.870 -0.856 1.00 0.40 C ATOM 506 C GLY A 31 19.425 -0.574 0.292 1.00 0.38 C ATOM 507 O GLY A 31 19.317 -1.347 1.246 1.00 0.39 O ATOM 0 H GLY A 31 20.128 -0.143 -2.808 1.00 0.39 H new ATOM 0 HA2 GLY A 31 20.792 -1.864 -0.724 1.00 0.40 H new ATOM 0 HA3 GLY A 31 21.193 -0.162 -0.834 1.00 0.40 H new ATOM 511 N GLU A 32 18.747 0.552 0.188 1.00 0.44 N ATOM 512 CA GLU A 32 17.841 1.016 1.222 1.00 0.50 C ATOM 513 C GLU A 32 16.628 0.110 1.334 1.00 0.42 C ATOM 514 O GLU A 32 16.189 -0.233 2.433 1.00 0.44 O ATOM 515 CB GLU A 32 17.401 2.440 0.910 1.00 0.67 C ATOM 516 CG GLU A 32 18.573 3.389 0.701 1.00 0.96 C ATOM 517 CD GLU A 32 18.999 3.526 -0.749 1.00 1.58 C ATOM 518 OE1 GLU A 32 19.608 2.581 -1.290 1.00 2.10 O ATOM 519 OE2 GLU A 32 18.743 4.588 -1.352 1.00 2.44 O ATOM 0 H GLU A 32 18.809 1.173 -0.618 1.00 0.44 H new ATOM 0 HA GLU A 32 18.366 0.995 2.177 1.00 0.50 H new ATOM 0 HB2 GLU A 32 16.780 2.435 0.014 1.00 0.67 H new ATOM 0 HB3 GLU A 32 16.781 2.811 1.726 1.00 0.67 H new ATOM 0 HG2 GLU A 32 18.305 4.373 1.086 1.00 0.96 H new ATOM 0 HG3 GLU A 32 19.422 3.038 1.288 1.00 0.96 H new ATOM 526 N LEU A 33 16.100 -0.277 0.187 1.00 0.38 N ATOM 527 CA LEU A 33 14.944 -1.147 0.128 1.00 0.34 C ATOM 528 C LEU A 33 15.287 -2.509 0.721 1.00 0.29 C ATOM 529 O LEU A 33 14.544 -3.044 1.528 1.00 0.32 O ATOM 530 CB LEU A 33 14.501 -1.287 -1.322 1.00 0.34 C ATOM 531 CG LEU A 33 13.113 -1.890 -1.528 1.00 0.39 C ATOM 532 CD1 LEU A 33 12.047 -1.010 -0.892 1.00 0.52 C ATOM 533 CD2 LEU A 33 12.826 -2.077 -3.008 1.00 0.46 C ATOM 0 H LEU A 33 16.460 0.003 -0.725 1.00 0.38 H new ATOM 0 HA LEU A 33 14.128 -0.719 0.710 1.00 0.34 H new ATOM 0 HB2 LEU A 33 14.523 -0.302 -1.788 1.00 0.34 H new ATOM 0 HB3 LEU A 33 15.229 -1.905 -1.848 1.00 0.34 H new ATOM 0 HG LEU A 33 13.091 -2.866 -1.044 1.00 0.39 H new ATOM 0 HD11 LEU A 33 11.065 -1.456 -1.049 1.00 0.52 H new ATOM 0 HD12 LEU A 33 12.238 -0.922 0.177 1.00 0.52 H new ATOM 0 HD13 LEU A 33 12.073 -0.020 -1.348 1.00 0.52 H new ATOM 0 HD21 LEU A 33 11.833 -2.508 -3.134 1.00 0.46 H new ATOM 0 HD22 LEU A 33 12.870 -1.111 -3.512 1.00 0.46 H new ATOM 0 HD23 LEU A 33 13.569 -2.746 -3.441 1.00 0.46 H new ATOM 545 N LYS A 34 16.436 -3.037 0.321 1.00 0.29 N ATOM 546 CA LYS A 34 16.960 -4.301 0.833 1.00 0.31 C ATOM 547 C LYS A 34 17.008 -4.292 2.356 1.00 0.35 C ATOM 548 O LYS A 34 16.584 -5.249 3.003 1.00 0.41 O ATOM 549 CB LYS A 34 18.357 -4.531 0.236 1.00 0.34 C ATOM 550 CG LYS A 34 19.304 -5.391 1.067 1.00 0.53 C ATOM 551 CD LYS A 34 19.054 -6.875 0.874 1.00 0.85 C ATOM 552 CE LYS A 34 20.114 -7.714 1.569 1.00 1.30 C ATOM 553 NZ LYS A 34 20.098 -7.523 3.042 1.00 1.87 N ATOM 0 H LYS A 34 17.038 -2.597 -0.375 1.00 0.29 H new ATOM 0 HA LYS A 34 16.301 -5.118 0.538 1.00 0.31 H new ATOM 0 HB2 LYS A 34 18.240 -4.996 -0.743 1.00 0.34 H new ATOM 0 HB3 LYS A 34 18.826 -3.560 0.075 1.00 0.34 H new ATOM 0 HG2 LYS A 34 20.334 -5.160 0.795 1.00 0.53 H new ATOM 0 HG3 LYS A 34 19.189 -5.140 2.121 1.00 0.53 H new ATOM 0 HD2 LYS A 34 18.070 -7.133 1.265 1.00 0.85 H new ATOM 0 HD3 LYS A 34 19.045 -7.108 -0.191 1.00 0.85 H new ATOM 0 HE2 LYS A 34 19.952 -8.767 1.338 1.00 1.30 H new ATOM 0 HE3 LYS A 34 21.097 -7.450 1.180 1.00 1.30 H new ATOM 0 HZ1 LYS A 34 20.777 -8.175 3.484 1.00 1.87 H new ATOM 0 HZ2 LYS A 34 20.362 -6.543 3.268 1.00 1.87 H new ATOM 0 HZ3 LYS A 34 19.144 -7.718 3.407 1.00 1.87 H new ATOM 567 N GLN A 35 17.511 -3.197 2.912 1.00 0.35 N ATOM 568 CA GLN A 35 17.549 -3.004 4.349 1.00 0.43 C ATOM 569 C GLN A 35 16.145 -3.061 4.928 1.00 0.43 C ATOM 570 O GLN A 35 15.838 -3.947 5.718 1.00 0.50 O ATOM 571 CB GLN A 35 18.225 -1.667 4.658 1.00 0.50 C ATOM 572 CG GLN A 35 18.170 -1.271 6.120 1.00 1.07 C ATOM 573 CD GLN A 35 18.999 -0.040 6.418 1.00 1.68 C ATOM 574 OE1 GLN A 35 19.179 0.825 5.562 1.00 2.46 O ATOM 575 NE2 GLN A 35 19.518 0.046 7.631 1.00 2.07 N ATOM 0 H GLN A 35 17.902 -2.421 2.377 1.00 0.35 H new ATOM 0 HA GLN A 35 18.127 -3.804 4.813 1.00 0.43 H new ATOM 0 HB2 GLN A 35 19.268 -1.718 4.345 1.00 0.50 H new ATOM 0 HB3 GLN A 35 17.752 -0.886 4.063 1.00 0.50 H new ATOM 0 HG2 GLN A 35 17.134 -1.085 6.404 1.00 1.07 H new ATOM 0 HG3 GLN A 35 18.524 -2.101 6.732 1.00 1.07 H new ATOM 0 HE21 GLN A 35 19.345 -0.693 8.313 1.00 2.07 H new ATOM 0 HE22 GLN A 35 20.091 0.851 7.885 1.00 2.07 H new ATOM 584 N LEU A 36 15.289 -2.147 4.488 1.00 0.38 N ATOM 585 CA LEU A 36 13.931 -2.037 4.993 1.00 0.39 C ATOM 586 C LEU A 36 13.189 -3.369 4.891 1.00 0.38 C ATOM 587 O LEU A 36 12.542 -3.798 5.829 1.00 0.45 O ATOM 588 CB LEU A 36 13.204 -0.943 4.204 1.00 0.36 C ATOM 589 CG LEU A 36 11.802 -0.571 4.686 1.00 0.40 C ATOM 590 CD1 LEU A 36 11.513 0.880 4.350 1.00 0.45 C ATOM 591 CD2 LEU A 36 10.755 -1.467 4.044 1.00 0.40 C ATOM 0 H LEU A 36 15.520 -1.461 3.769 1.00 0.38 H new ATOM 0 HA LEU A 36 13.960 -1.772 6.050 1.00 0.39 H new ATOM 0 HB2 LEU A 36 13.820 -0.044 4.221 1.00 0.36 H new ATOM 0 HB3 LEU A 36 13.134 -1.262 3.164 1.00 0.36 H new ATOM 0 HG LEU A 36 11.759 -0.710 5.766 1.00 0.40 H new ATOM 0 HD11 LEU A 36 10.513 1.141 4.695 1.00 0.45 H new ATOM 0 HD12 LEU A 36 12.245 1.520 4.842 1.00 0.45 H new ATOM 0 HD13 LEU A 36 11.573 1.023 3.271 1.00 0.45 H new ATOM 0 HD21 LEU A 36 9.765 -1.184 4.402 1.00 0.40 H new ATOM 0 HD22 LEU A 36 10.795 -1.355 2.961 1.00 0.40 H new ATOM 0 HD23 LEU A 36 10.953 -2.506 4.309 1.00 0.40 H new ATOM 603 N LEU A 37 13.313 -4.027 3.758 1.00 0.34 N ATOM 604 CA LEU A 37 12.576 -5.254 3.500 1.00 0.35 C ATOM 605 C LEU A 37 13.017 -6.398 4.405 1.00 0.41 C ATOM 606 O LEU A 37 12.185 -7.042 5.042 1.00 0.45 O ATOM 607 CB LEU A 37 12.739 -5.655 2.040 1.00 0.34 C ATOM 608 CG LEU A 37 12.175 -4.653 1.034 1.00 0.30 C ATOM 609 CD1 LEU A 37 12.465 -5.096 -0.388 1.00 0.38 C ATOM 610 CD2 LEU A 37 10.684 -4.469 1.252 1.00 0.32 C ATOM 0 H LEU A 37 13.921 -3.733 2.993 1.00 0.34 H new ATOM 0 HA LEU A 37 11.527 -5.056 3.718 1.00 0.35 H new ATOM 0 HB2 LEU A 37 13.800 -5.798 1.833 1.00 0.34 H new ATOM 0 HB3 LEU A 37 12.251 -6.617 1.885 1.00 0.34 H new ATOM 0 HG LEU A 37 12.665 -3.692 1.191 1.00 0.30 H new ATOM 0 HD11 LEU A 37 12.054 -4.367 -1.087 1.00 0.38 H new ATOM 0 HD12 LEU A 37 13.543 -5.171 -0.533 1.00 0.38 H new ATOM 0 HD13 LEU A 37 12.007 -6.069 -0.567 1.00 0.38 H new ATOM 0 HD21 LEU A 37 10.296 -3.752 0.528 1.00 0.32 H new ATOM 0 HD22 LEU A 37 10.177 -5.425 1.124 1.00 0.32 H new ATOM 0 HD23 LEU A 37 10.507 -4.097 2.261 1.00 0.32 H new ATOM 622 N THR A 38 14.320 -6.634 4.472 1.00 0.45 N ATOM 623 CA THR A 38 14.855 -7.771 5.202 1.00 0.53 C ATOM 624 C THR A 38 14.572 -7.653 6.700 1.00 0.59 C ATOM 625 O THR A 38 14.445 -8.658 7.398 1.00 0.66 O ATOM 626 CB THR A 38 16.379 -7.927 4.950 1.00 0.55 C ATOM 627 OG1 THR A 38 16.857 -9.177 5.461 1.00 1.23 O ATOM 628 CG2 THR A 38 17.174 -6.797 5.588 1.00 1.03 C ATOM 0 H THR A 38 15.027 -6.049 4.027 1.00 0.45 H new ATOM 0 HA THR A 38 14.351 -8.664 4.831 1.00 0.53 H new ATOM 0 HB THR A 38 16.523 -7.893 3.870 1.00 0.55 H new ATOM 0 HG1 THR A 38 17.819 -9.254 5.290 1.00 1.23 H new ATOM 0 HG21 THR A 38 18.236 -6.942 5.389 1.00 1.03 H new ATOM 0 HG22 THR A 38 16.853 -5.844 5.168 1.00 1.03 H new ATOM 0 HG23 THR A 38 17.003 -6.795 6.665 1.00 1.03 H new ATOM 636 N LYS A 39 14.472 -6.428 7.196 1.00 0.58 N ATOM 637 CA LYS A 39 14.235 -6.217 8.615 1.00 0.66 C ATOM 638 C LYS A 39 12.761 -5.981 8.937 1.00 0.64 C ATOM 639 O LYS A 39 12.251 -6.517 9.916 1.00 0.72 O ATOM 640 CB LYS A 39 15.086 -5.066 9.152 1.00 0.72 C ATOM 641 CG LYS A 39 14.923 -3.770 8.396 1.00 0.68 C ATOM 642 CD LYS A 39 16.119 -2.866 8.615 1.00 0.73 C ATOM 643 CE LYS A 39 15.944 -1.967 9.829 1.00 0.87 C ATOM 644 NZ LYS A 39 15.284 -2.651 10.974 1.00 1.61 N ATOM 0 H LYS A 39 14.550 -5.574 6.643 1.00 0.58 H new ATOM 0 HA LYS A 39 14.532 -7.139 9.115 1.00 0.66 H new ATOM 0 HB2 LYS A 39 14.831 -4.898 10.198 1.00 0.72 H new ATOM 0 HB3 LYS A 39 16.135 -5.361 9.123 1.00 0.72 H new ATOM 0 HG2 LYS A 39 14.807 -3.976 7.332 1.00 0.68 H new ATOM 0 HG3 LYS A 39 14.014 -3.264 8.723 1.00 0.68 H new ATOM 0 HD2 LYS A 39 17.014 -3.475 8.742 1.00 0.73 H new ATOM 0 HD3 LYS A 39 16.275 -2.251 7.729 1.00 0.73 H new ATOM 0 HE2 LYS A 39 16.921 -1.602 10.146 1.00 0.87 H new ATOM 0 HE3 LYS A 39 15.354 -1.095 9.546 1.00 0.87 H new ATOM 0 HZ1 LYS A 39 15.270 -2.015 11.797 1.00 1.61 H new ATOM 0 HZ2 LYS A 39 14.309 -2.902 10.713 1.00 1.61 H new ATOM 0 HZ3 LYS A 39 15.812 -3.515 11.213 1.00 1.61 H new ATOM 658 N GLU A 40 12.076 -5.198 8.112 1.00 0.57 N ATOM 659 CA GLU A 40 10.739 -4.719 8.457 1.00 0.58 C ATOM 660 C GLU A 40 9.656 -5.662 7.938 1.00 0.56 C ATOM 661 O GLU A 40 8.668 -5.923 8.620 1.00 0.64 O ATOM 662 CB GLU A 40 10.517 -3.301 7.901 1.00 0.58 C ATOM 663 CG GLU A 40 11.517 -2.267 8.404 1.00 0.87 C ATOM 664 CD GLU A 40 11.689 -2.275 9.913 1.00 1.14 C ATOM 665 OE1 GLU A 40 10.866 -1.661 10.619 1.00 1.67 O ATOM 666 OE2 GLU A 40 12.674 -2.876 10.399 1.00 1.63 O ATOM 0 H GLU A 40 12.419 -4.882 7.205 1.00 0.57 H new ATOM 0 HA GLU A 40 10.668 -4.691 9.544 1.00 0.58 H new ATOM 0 HB2 GLU A 40 10.567 -3.338 6.813 1.00 0.58 H new ATOM 0 HB3 GLU A 40 9.511 -2.974 8.163 1.00 0.58 H new ATOM 0 HG2 GLU A 40 12.484 -2.450 7.935 1.00 0.87 H new ATOM 0 HG3 GLU A 40 11.192 -1.276 8.088 1.00 0.87 H new ATOM 673 N LEU A 41 9.859 -6.188 6.739 1.00 0.50 N ATOM 674 CA LEU A 41 8.860 -7.041 6.098 1.00 0.49 C ATOM 675 C LEU A 41 9.301 -8.496 6.158 1.00 0.52 C ATOM 676 O LEU A 41 8.828 -9.337 5.387 1.00 0.53 O ATOM 677 CB LEU A 41 8.639 -6.625 4.635 1.00 0.43 C ATOM 678 CG LEU A 41 7.857 -5.322 4.407 1.00 0.51 C ATOM 679 CD1 LEU A 41 8.612 -4.115 4.935 1.00 1.22 C ATOM 680 CD2 LEU A 41 7.559 -5.144 2.928 1.00 1.42 C ATOM 0 H LEU A 41 10.705 -6.041 6.188 1.00 0.50 H new ATOM 0 HA LEU A 41 7.919 -6.925 6.636 1.00 0.49 H new ATOM 0 HB2 LEU A 41 9.613 -6.527 4.157 1.00 0.43 H new ATOM 0 HB3 LEU A 41 8.113 -7.433 4.126 1.00 0.43 H new ATOM 0 HG LEU A 41 6.920 -5.396 4.959 1.00 0.51 H new ATOM 0 HD11 LEU A 41 8.027 -3.213 4.755 1.00 1.22 H new ATOM 0 HD12 LEU A 41 8.781 -4.231 6.006 1.00 1.22 H new ATOM 0 HD13 LEU A 41 9.571 -4.033 4.423 1.00 1.22 H new ATOM 0 HD21 LEU A 41 7.005 -4.218 2.777 1.00 1.42 H new ATOM 0 HD22 LEU A 41 8.495 -5.101 2.371 1.00 1.42 H new ATOM 0 HD23 LEU A 41 6.963 -5.985 2.573 1.00 1.42 H new ATOM 692 N ALA A 42 10.193 -8.770 7.105 1.00 0.58 N ATOM 693 CA ALA A 42 10.857 -10.067 7.236 1.00 0.64 C ATOM 694 C ALA A 42 9.885 -11.245 7.226 1.00 0.71 C ATOM 695 O ALA A 42 10.100 -12.231 6.524 1.00 0.78 O ATOM 696 CB ALA A 42 11.687 -10.091 8.510 1.00 0.71 C ATOM 0 H ALA A 42 10.480 -8.092 7.811 1.00 0.58 H new ATOM 0 HA ALA A 42 11.498 -10.184 6.362 1.00 0.64 H new ATOM 0 HB1 ALA A 42 12.180 -11.058 8.605 1.00 0.71 H new ATOM 0 HB2 ALA A 42 12.439 -9.303 8.469 1.00 0.71 H new ATOM 0 HB3 ALA A 42 11.038 -9.929 9.370 1.00 0.71 H new ATOM 702 N ASN A 43 8.820 -11.146 7.999 1.00 0.74 N ATOM 703 CA ASN A 43 7.896 -12.261 8.161 1.00 0.83 C ATOM 704 C ASN A 43 6.573 -11.974 7.449 1.00 0.83 C ATOM 705 O ASN A 43 5.514 -12.456 7.849 1.00 1.07 O ATOM 706 CB ASN A 43 7.679 -12.527 9.657 1.00 0.99 C ATOM 707 CG ASN A 43 7.041 -13.875 9.946 1.00 1.28 C ATOM 708 OD1 ASN A 43 5.821 -13.995 10.044 1.00 1.56 O ATOM 709 ND2 ASN A 43 7.866 -14.898 10.100 1.00 2.16 N ATOM 0 H ASN A 43 8.571 -10.308 8.525 1.00 0.74 H new ATOM 0 HA ASN A 43 8.323 -13.154 7.705 1.00 0.83 H new ATOM 0 HB2 ASN A 43 8.639 -12.470 10.171 1.00 0.99 H new ATOM 0 HB3 ASN A 43 7.049 -11.739 10.070 1.00 0.99 H new ATOM 0 HD21 ASN A 43 7.495 -15.825 10.307 1.00 2.16 H new ATOM 0 HD22 ASN A 43 8.873 -14.759 10.011 1.00 2.16 H new ATOM 716 N THR A 44 6.638 -11.188 6.386 1.00 0.65 N ATOM 717 CA THR A 44 5.450 -10.875 5.606 1.00 0.61 C ATOM 718 C THR A 44 5.601 -11.382 4.177 1.00 0.59 C ATOM 719 O THR A 44 4.785 -12.166 3.694 1.00 0.66 O ATOM 720 CB THR A 44 5.181 -9.360 5.588 1.00 0.56 C ATOM 721 OG1 THR A 44 5.100 -8.870 6.936 1.00 0.65 O ATOM 722 CG2 THR A 44 3.886 -9.039 4.850 1.00 0.53 C ATOM 0 H THR A 44 7.497 -10.756 6.044 1.00 0.65 H new ATOM 0 HA THR A 44 4.604 -11.374 6.078 1.00 0.61 H new ATOM 0 HB THR A 44 6.003 -8.873 5.064 1.00 0.56 H new ATOM 0 HG1 THR A 44 4.301 -9.236 7.370 1.00 0.65 H new ATOM 0 HG21 THR A 44 3.723 -7.961 4.854 1.00 0.53 H new ATOM 0 HG22 THR A 44 3.957 -9.392 3.821 1.00 0.53 H new ATOM 0 HG23 THR A 44 3.052 -9.534 5.347 1.00 0.53 H new ATOM 730 N ILE A 45 6.661 -10.943 3.518 1.00 0.52 N ATOM 731 CA ILE A 45 6.918 -11.329 2.140 1.00 0.52 C ATOM 732 C ILE A 45 7.771 -12.596 2.099 1.00 0.59 C ATOM 733 O ILE A 45 8.720 -12.734 2.873 1.00 0.60 O ATOM 734 CB ILE A 45 7.626 -10.189 1.373 1.00 0.43 C ATOM 735 CG1 ILE A 45 6.743 -8.934 1.333 1.00 0.39 C ATOM 736 CG2 ILE A 45 7.987 -10.635 -0.042 1.00 0.47 C ATOM 737 CD1 ILE A 45 7.347 -7.793 0.540 1.00 0.36 C ATOM 0 H ILE A 45 7.360 -10.317 3.917 1.00 0.52 H new ATOM 0 HA ILE A 45 5.962 -11.527 1.656 1.00 0.52 H new ATOM 0 HB ILE A 45 8.548 -9.944 1.901 1.00 0.43 H new ATOM 0 HG12 ILE A 45 5.776 -9.194 0.902 1.00 0.39 H new ATOM 0 HG13 ILE A 45 6.557 -8.598 2.353 1.00 0.39 H new ATOM 0 HG21 ILE A 45 8.484 -9.818 -0.565 1.00 0.47 H new ATOM 0 HG22 ILE A 45 8.655 -11.495 0.007 1.00 0.47 H new ATOM 0 HG23 ILE A 45 7.080 -10.911 -0.579 1.00 0.47 H new ATOM 0 HD11 ILE A 45 6.668 -6.940 0.555 1.00 0.36 H new ATOM 0 HD12 ILE A 45 8.300 -7.506 0.984 1.00 0.36 H new ATOM 0 HD13 ILE A 45 7.507 -8.111 -0.490 1.00 0.36 H new ATOM 749 N LYS A 46 7.407 -13.531 1.218 1.00 0.67 N ATOM 750 CA LYS A 46 8.133 -14.787 1.087 1.00 0.73 C ATOM 751 C LYS A 46 9.590 -14.537 0.776 1.00 0.68 C ATOM 752 O LYS A 46 9.916 -13.815 -0.167 1.00 0.63 O ATOM 753 CB LYS A 46 7.517 -15.682 0.000 1.00 0.82 C ATOM 754 CG LYS A 46 7.761 -15.236 -1.433 1.00 0.79 C ATOM 755 CD LYS A 46 8.936 -15.984 -2.049 1.00 0.75 C ATOM 756 CE LYS A 46 9.051 -15.698 -3.534 1.00 0.88 C ATOM 757 NZ LYS A 46 7.814 -16.064 -4.274 1.00 1.61 N ATOM 0 H LYS A 46 6.612 -13.437 0.586 1.00 0.67 H new ATOM 0 HA LYS A 46 8.057 -15.304 2.043 1.00 0.73 H new ATOM 0 HB2 LYS A 46 7.910 -16.691 0.120 1.00 0.82 H new ATOM 0 HB3 LYS A 46 6.441 -15.737 0.166 1.00 0.82 H new ATOM 0 HG2 LYS A 46 6.864 -15.408 -2.028 1.00 0.79 H new ATOM 0 HG3 LYS A 46 7.957 -14.164 -1.455 1.00 0.79 H new ATOM 0 HD2 LYS A 46 9.859 -15.693 -1.547 1.00 0.75 H new ATOM 0 HD3 LYS A 46 8.812 -17.055 -1.891 1.00 0.75 H new ATOM 0 HE2 LYS A 46 9.262 -14.639 -3.683 1.00 0.88 H new ATOM 0 HE3 LYS A 46 9.895 -16.252 -3.945 1.00 0.88 H new ATOM 0 HZ1 LYS A 46 8.016 -16.095 -5.294 1.00 1.61 H new ATOM 0 HZ2 LYS A 46 7.484 -16.998 -3.958 1.00 1.61 H new ATOM 0 HZ3 LYS A 46 7.076 -15.355 -4.089 1.00 1.61 H new ATOM 771 N ASN A 47 10.456 -15.115 1.594 1.00 0.71 N ATOM 772 CA ASN A 47 11.889 -15.061 1.359 1.00 0.67 C ATOM 773 C ASN A 47 12.345 -13.637 1.097 1.00 0.59 C ATOM 774 O ASN A 47 13.234 -13.409 0.283 1.00 0.57 O ATOM 775 CB ASN A 47 12.284 -15.942 0.168 1.00 0.69 C ATOM 776 CG ASN A 47 12.261 -17.434 0.461 1.00 0.92 C ATOM 777 OD1 ASN A 47 11.349 -17.873 1.313 1.00 1.48 O flip ATOM 778 ND2 ASN A 47 13.056 -18.192 -0.096 1.00 1.24 N flip ATOM 0 H ASN A 47 10.188 -15.630 2.432 1.00 0.71 H new ATOM 0 HA ASN A 47 12.378 -15.434 2.259 1.00 0.67 H new ATOM 0 HB2 ASN A 47 11.608 -15.736 -0.662 1.00 0.69 H new ATOM 0 HB3 ASN A 47 13.285 -15.663 -0.160 1.00 0.69 H new ATOM 0 HD21 ASN A 47 13.746 -17.818 -0.747 1.00 1.24 H new ATOM 0 HD22 ASN A 47 13.024 -19.194 0.094 1.00 1.24 H new ATOM 785 N ILE A 48 11.735 -12.677 1.789 1.00 0.55 N ATOM 786 CA ILE A 48 12.089 -11.268 1.622 1.00 0.48 C ATOM 787 C ILE A 48 13.536 -11.039 2.052 1.00 0.48 C ATOM 788 O ILE A 48 14.109 -9.966 1.886 1.00 0.43 O ATOM 789 CB ILE A 48 11.156 -10.358 2.446 1.00 0.46 C ATOM 790 CG1 ILE A 48 11.339 -8.889 2.052 1.00 0.40 C ATOM 791 CG2 ILE A 48 11.411 -10.544 3.931 1.00 0.52 C ATOM 792 CD1 ILE A 48 11.047 -8.608 0.593 1.00 0.38 C ATOM 0 H ILE A 48 10.995 -12.848 2.469 1.00 0.55 H new ATOM 0 HA ILE A 48 11.975 -11.015 0.568 1.00 0.48 H new ATOM 0 HB ILE A 48 10.126 -10.642 2.231 1.00 0.46 H new ATOM 0 HG12 ILE A 48 10.685 -8.273 2.669 1.00 0.40 H new ATOM 0 HG13 ILE A 48 12.363 -8.588 2.273 1.00 0.40 H new ATOM 0 HG21 ILE A 48 10.745 -9.895 4.499 1.00 0.52 H new ATOM 0 HG22 ILE A 48 11.226 -11.583 4.205 1.00 0.52 H new ATOM 0 HG23 ILE A 48 12.446 -10.288 4.157 1.00 0.52 H new ATOM 0 HD11 ILE A 48 11.198 -7.548 0.389 1.00 0.38 H new ATOM 0 HD12 ILE A 48 11.718 -9.197 -0.032 1.00 0.38 H new ATOM 0 HD13 ILE A 48 10.014 -8.877 0.370 1.00 0.38 H new ATOM 804 N LYS A 49 14.111 -12.087 2.600 1.00 0.56 N ATOM 805 CA LYS A 49 15.475 -12.076 3.066 1.00 0.57 C ATOM 806 C LYS A 49 16.414 -12.392 1.914 1.00 0.55 C ATOM 807 O LYS A 49 17.628 -12.205 2.011 1.00 0.56 O ATOM 808 CB LYS A 49 15.629 -13.111 4.173 1.00 0.65 C ATOM 809 CG LYS A 49 14.568 -12.978 5.253 1.00 0.73 C ATOM 810 CD LYS A 49 14.609 -11.610 5.916 1.00 0.72 C ATOM 811 CE LYS A 49 15.750 -11.494 6.915 1.00 0.82 C ATOM 812 NZ LYS A 49 15.601 -12.434 8.054 1.00 1.11 N ATOM 0 H LYS A 49 13.637 -12.980 2.735 1.00 0.56 H new ATOM 0 HA LYS A 49 15.725 -11.090 3.457 1.00 0.57 H new ATOM 0 HB2 LYS A 49 15.578 -14.110 3.740 1.00 0.65 H new ATOM 0 HB3 LYS A 49 16.616 -13.010 4.625 1.00 0.65 H new ATOM 0 HG2 LYS A 49 13.582 -13.142 4.817 1.00 0.73 H new ATOM 0 HG3 LYS A 49 14.716 -13.752 6.006 1.00 0.73 H new ATOM 0 HD2 LYS A 49 14.717 -10.840 5.152 1.00 0.72 H new ATOM 0 HD3 LYS A 49 13.662 -11.425 6.424 1.00 0.72 H new ATOM 0 HE2 LYS A 49 16.695 -11.689 6.408 1.00 0.82 H new ATOM 0 HE3 LYS A 49 15.796 -10.473 7.293 1.00 0.82 H new ATOM 0 HZ1 LYS A 49 16.179 -12.105 8.853 1.00 1.11 H new ATOM 0 HZ2 LYS A 49 14.603 -12.474 8.342 1.00 1.11 H new ATOM 0 HZ3 LYS A 49 15.916 -13.382 7.765 1.00 1.11 H new ATOM 826 N ASP A 50 15.835 -12.867 0.820 1.00 0.55 N ATOM 827 CA ASP A 50 16.607 -13.237 -0.350 1.00 0.56 C ATOM 828 C ASP A 50 16.733 -12.057 -1.286 1.00 0.50 C ATOM 829 O ASP A 50 15.740 -11.423 -1.634 1.00 0.47 O ATOM 830 CB ASP A 50 15.951 -14.395 -1.101 1.00 0.62 C ATOM 831 CG ASP A 50 16.968 -15.264 -1.806 1.00 0.97 C ATOM 832 OD1 ASP A 50 17.750 -14.729 -2.619 1.00 1.58 O ATOM 833 OD2 ASP A 50 16.985 -16.487 -1.554 1.00 1.57 O ATOM 0 H ASP A 50 14.829 -13.004 0.722 1.00 0.55 H new ATOM 0 HA ASP A 50 17.594 -13.550 -0.009 1.00 0.56 H new ATOM 0 HB2 ASP A 50 15.379 -15.003 -0.400 1.00 0.62 H new ATOM 0 HB3 ASP A 50 15.245 -13.999 -1.831 1.00 0.62 H new ATOM 838 N LYS A 51 17.956 -11.773 -1.699 1.00 0.50 N ATOM 839 CA LYS A 51 18.210 -10.711 -2.655 1.00 0.48 C ATOM 840 C LYS A 51 17.583 -11.039 -3.993 1.00 0.50 C ATOM 841 O LYS A 51 17.343 -10.152 -4.795 1.00 0.48 O ATOM 842 CB LYS A 51 19.704 -10.483 -2.832 1.00 0.53 C ATOM 843 CG LYS A 51 20.198 -9.172 -2.235 1.00 0.83 C ATOM 844 CD LYS A 51 19.696 -7.961 -3.018 1.00 0.60 C ATOM 845 CE LYS A 51 20.337 -7.865 -4.399 1.00 0.83 C ATOM 846 NZ LYS A 51 21.824 -7.839 -4.328 1.00 0.92 N ATOM 0 H LYS A 51 18.792 -12.266 -1.385 1.00 0.50 H new ATOM 0 HA LYS A 51 17.761 -9.798 -2.264 1.00 0.48 H new ATOM 0 HB2 LYS A 51 20.246 -11.309 -2.371 1.00 0.53 H new ATOM 0 HB3 LYS A 51 19.942 -10.500 -3.896 1.00 0.53 H new ATOM 0 HG2 LYS A 51 19.866 -9.097 -1.200 1.00 0.83 H new ATOM 0 HG3 LYS A 51 21.288 -9.168 -2.221 1.00 0.83 H new ATOM 0 HD2 LYS A 51 18.613 -8.022 -3.125 1.00 0.60 H new ATOM 0 HD3 LYS A 51 19.910 -7.052 -2.456 1.00 0.60 H new ATOM 0 HE2 LYS A 51 20.019 -8.713 -5.005 1.00 0.83 H new ATOM 0 HE3 LYS A 51 19.983 -6.964 -4.900 1.00 0.83 H new ATOM 0 HZ1 LYS A 51 22.191 -7.134 -4.998 1.00 0.92 H new ATOM 0 HZ2 LYS A 51 22.121 -7.587 -3.364 1.00 0.92 H new ATOM 0 HZ3 LYS A 51 22.200 -8.778 -4.572 1.00 0.92 H new ATOM 860 N ALA A 52 17.320 -12.320 -4.228 1.00 0.55 N ATOM 861 CA ALA A 52 16.630 -12.740 -5.436 1.00 0.60 C ATOM 862 C ALA A 52 15.198 -12.268 -5.377 1.00 0.58 C ATOM 863 O ALA A 52 14.605 -11.880 -6.382 1.00 0.60 O ATOM 864 CB ALA A 52 16.659 -14.250 -5.572 1.00 0.67 C ATOM 0 H ALA A 52 17.574 -13.081 -3.598 1.00 0.55 H new ATOM 0 HA ALA A 52 17.133 -12.304 -6.299 1.00 0.60 H new ATOM 0 HB1 ALA A 52 16.137 -14.543 -6.483 1.00 0.67 H new ATOM 0 HB2 ALA A 52 17.693 -14.591 -5.620 1.00 0.67 H new ATOM 0 HB3 ALA A 52 16.168 -14.702 -4.711 1.00 0.67 H new ATOM 870 N VAL A 53 14.667 -12.280 -4.170 1.00 0.54 N ATOM 871 CA VAL A 53 13.293 -11.892 -3.928 1.00 0.53 C ATOM 872 C VAL A 53 13.195 -10.385 -3.865 1.00 0.47 C ATOM 873 O VAL A 53 12.311 -9.780 -4.459 1.00 0.48 O ATOM 874 CB VAL A 53 12.764 -12.520 -2.620 1.00 0.53 C ATOM 875 CG1 VAL A 53 11.486 -11.843 -2.135 1.00 0.51 C ATOM 876 CG2 VAL A 53 12.524 -14.004 -2.808 1.00 0.60 C ATOM 0 H VAL A 53 15.176 -12.559 -3.331 1.00 0.54 H new ATOM 0 HA VAL A 53 12.677 -12.259 -4.749 1.00 0.53 H new ATOM 0 HB VAL A 53 13.528 -12.369 -1.857 1.00 0.53 H new ATOM 0 HG11 VAL A 53 11.150 -12.317 -1.213 1.00 0.51 H new ATOM 0 HG12 VAL A 53 11.682 -10.787 -1.950 1.00 0.51 H new ATOM 0 HG13 VAL A 53 10.711 -11.940 -2.896 1.00 0.51 H new ATOM 0 HG21 VAL A 53 12.151 -14.433 -1.878 1.00 0.60 H new ATOM 0 HG22 VAL A 53 11.789 -14.156 -3.598 1.00 0.60 H new ATOM 0 HG23 VAL A 53 13.459 -14.492 -3.084 1.00 0.60 H new ATOM 886 N ILE A 54 14.129 -9.787 -3.158 1.00 0.42 N ATOM 887 CA ILE A 54 14.238 -8.342 -3.099 1.00 0.36 C ATOM 888 C ILE A 54 14.451 -7.765 -4.489 1.00 0.38 C ATOM 889 O ILE A 54 14.004 -6.669 -4.795 1.00 0.38 O ATOM 890 CB ILE A 54 15.398 -7.953 -2.195 1.00 0.35 C ATOM 891 CG1 ILE A 54 15.086 -8.452 -0.787 1.00 0.37 C ATOM 892 CG2 ILE A 54 15.646 -6.445 -2.217 1.00 0.32 C ATOM 893 CD1 ILE A 54 16.090 -8.038 0.250 1.00 0.38 C ATOM 0 H ILE A 54 14.832 -10.284 -2.610 1.00 0.42 H new ATOM 0 HA ILE A 54 13.310 -7.937 -2.694 1.00 0.36 H new ATOM 0 HB ILE A 54 16.318 -8.415 -2.554 1.00 0.35 H new ATOM 0 HG12 ILE A 54 14.103 -8.083 -0.493 1.00 0.37 H new ATOM 0 HG13 ILE A 54 15.026 -9.540 -0.804 1.00 0.37 H new ATOM 0 HG21 ILE A 54 16.482 -6.204 -1.560 1.00 0.32 H new ATOM 0 HG22 ILE A 54 15.881 -6.130 -3.234 1.00 0.32 H new ATOM 0 HG23 ILE A 54 14.752 -5.924 -1.873 1.00 0.32 H new ATOM 0 HD11 ILE A 54 15.794 -8.434 1.222 1.00 0.38 H new ATOM 0 HD12 ILE A 54 17.072 -8.429 -0.017 1.00 0.38 H new ATOM 0 HD13 ILE A 54 16.134 -6.950 0.299 1.00 0.38 H new ATOM 905 N ASP A 55 15.136 -8.528 -5.319 1.00 0.43 N ATOM 906 CA ASP A 55 15.338 -8.168 -6.711 1.00 0.47 C ATOM 907 C ASP A 55 14.016 -8.212 -7.441 1.00 0.48 C ATOM 908 O ASP A 55 13.667 -7.296 -8.169 1.00 0.49 O ATOM 909 CB ASP A 55 16.313 -9.138 -7.355 1.00 0.55 C ATOM 910 CG ASP A 55 17.620 -8.476 -7.738 1.00 0.86 C ATOM 911 OD1 ASP A 55 18.526 -8.394 -6.885 1.00 1.44 O ATOM 912 OD2 ASP A 55 17.747 -8.028 -8.895 1.00 1.53 O ATOM 0 H ASP A 55 15.567 -9.412 -5.049 1.00 0.43 H new ATOM 0 HA ASP A 55 15.748 -7.160 -6.768 1.00 0.47 H new ATOM 0 HB2 ASP A 55 16.513 -9.959 -6.666 1.00 0.55 H new ATOM 0 HB3 ASP A 55 15.855 -9.572 -8.244 1.00 0.55 H new ATOM 917 N GLU A 56 13.284 -9.291 -7.214 1.00 0.51 N ATOM 918 CA GLU A 56 11.939 -9.455 -7.743 1.00 0.54 C ATOM 919 C GLU A 56 11.060 -8.258 -7.388 1.00 0.47 C ATOM 920 O GLU A 56 10.328 -7.733 -8.229 1.00 0.49 O ATOM 921 CB GLU A 56 11.337 -10.736 -7.173 1.00 0.58 C ATOM 922 CG GLU A 56 11.866 -12.001 -7.823 1.00 0.69 C ATOM 923 CD GLU A 56 11.635 -12.018 -9.317 1.00 1.06 C ATOM 924 OE1 GLU A 56 10.483 -12.249 -9.739 1.00 1.77 O ATOM 925 OE2 GLU A 56 12.602 -11.790 -10.071 1.00 1.66 O ATOM 0 H GLU A 56 13.607 -10.081 -6.655 1.00 0.51 H new ATOM 0 HA GLU A 56 11.990 -9.519 -8.830 1.00 0.54 H new ATOM 0 HB2 GLU A 56 11.539 -10.777 -6.103 1.00 0.58 H new ATOM 0 HB3 GLU A 56 10.254 -10.702 -7.292 1.00 0.58 H new ATOM 0 HG2 GLU A 56 12.933 -12.091 -7.622 1.00 0.69 H new ATOM 0 HG3 GLU A 56 11.382 -12.868 -7.373 1.00 0.69 H new ATOM 932 N ILE A 57 11.139 -7.835 -6.133 1.00 0.42 N ATOM 933 CA ILE A 57 10.419 -6.665 -5.662 1.00 0.39 C ATOM 934 C ILE A 57 10.929 -5.404 -6.347 1.00 0.36 C ATOM 935 O ILE A 57 10.185 -4.720 -7.035 1.00 0.37 O ATOM 936 CB ILE A 57 10.591 -6.507 -4.135 1.00 0.40 C ATOM 937 CG1 ILE A 57 9.573 -7.349 -3.354 1.00 0.48 C ATOM 938 CG2 ILE A 57 10.479 -5.049 -3.715 1.00 0.59 C ATOM 939 CD1 ILE A 57 9.603 -8.831 -3.651 1.00 1.00 C ATOM 0 H ILE A 57 11.703 -8.293 -5.417 1.00 0.42 H new ATOM 0 HA ILE A 57 9.365 -6.804 -5.902 1.00 0.39 H new ATOM 0 HB ILE A 57 11.591 -6.869 -3.895 1.00 0.40 H new ATOM 0 HG12 ILE A 57 9.747 -7.204 -2.288 1.00 0.48 H new ATOM 0 HG13 ILE A 57 8.573 -6.972 -3.568 1.00 0.48 H new ATOM 0 HG21 ILE A 57 10.604 -4.971 -2.635 1.00 0.59 H new ATOM 0 HG22 ILE A 57 11.254 -4.466 -4.213 1.00 0.59 H new ATOM 0 HG23 ILE A 57 9.499 -4.664 -3.995 1.00 0.59 H new ATOM 0 HD11 ILE A 57 8.848 -9.338 -3.050 1.00 1.00 H new ATOM 0 HD12 ILE A 57 9.395 -8.994 -4.708 1.00 1.00 H new ATOM 0 HD13 ILE A 57 10.588 -9.231 -3.409 1.00 1.00 H new ATOM 951 N PHE A 58 12.214 -5.129 -6.158 1.00 0.35 N ATOM 952 CA PHE A 58 12.822 -3.888 -6.601 1.00 0.36 C ATOM 953 C PHE A 58 12.646 -3.700 -8.094 1.00 0.41 C ATOM 954 O PHE A 58 12.279 -2.626 -8.548 1.00 0.44 O ATOM 955 CB PHE A 58 14.302 -3.879 -6.223 1.00 0.38 C ATOM 956 CG PHE A 58 15.036 -2.634 -6.623 1.00 0.52 C ATOM 957 CD1 PHE A 58 14.909 -1.476 -5.879 1.00 1.52 C ATOM 958 CD2 PHE A 58 15.861 -2.628 -7.734 1.00 1.12 C ATOM 959 CE1 PHE A 58 15.587 -0.330 -6.236 1.00 1.68 C ATOM 960 CE2 PHE A 58 16.544 -1.485 -8.096 1.00 1.16 C ATOM 961 CZ PHE A 58 16.406 -0.334 -7.344 1.00 0.93 C ATOM 0 H PHE A 58 12.862 -5.764 -5.692 1.00 0.35 H new ATOM 0 HA PHE A 58 12.324 -3.055 -6.104 1.00 0.36 H new ATOM 0 HB2 PHE A 58 14.390 -4.007 -5.144 1.00 0.38 H new ATOM 0 HB3 PHE A 58 14.788 -4.738 -6.686 1.00 0.38 H new ATOM 0 HD1 PHE A 58 14.271 -1.469 -5.008 1.00 1.52 H new ATOM 0 HD2 PHE A 58 15.971 -3.526 -8.323 1.00 1.12 H new ATOM 0 HE1 PHE A 58 15.476 0.569 -5.648 1.00 1.68 H new ATOM 0 HE2 PHE A 58 17.185 -1.490 -8.965 1.00 1.16 H new ATOM 0 HZ PHE A 58 16.940 0.562 -7.625 1.00 0.93 H new ATOM 971 N GLN A 59 12.883 -4.760 -8.842 1.00 0.45 N ATOM 972 CA GLN A 59 12.718 -4.735 -10.283 1.00 0.52 C ATOM 973 C GLN A 59 11.243 -4.643 -10.654 1.00 0.52 C ATOM 974 O GLN A 59 10.892 -4.163 -11.730 1.00 0.57 O ATOM 975 CB GLN A 59 13.343 -5.984 -10.896 1.00 0.58 C ATOM 976 CG GLN A 59 14.860 -6.008 -10.809 1.00 0.61 C ATOM 977 CD GLN A 59 15.463 -7.271 -11.390 1.00 1.10 C ATOM 978 OE1 GLN A 59 14.853 -8.338 -11.357 1.00 1.92 O ATOM 979 NE2 GLN A 59 16.668 -7.159 -11.926 1.00 1.63 N ATOM 0 H GLN A 59 13.194 -5.658 -8.471 1.00 0.45 H new ATOM 0 HA GLN A 59 13.223 -3.854 -10.678 1.00 0.52 H new ATOM 0 HB2 GLN A 59 12.944 -6.865 -10.393 1.00 0.58 H new ATOM 0 HB3 GLN A 59 13.046 -6.053 -11.942 1.00 0.58 H new ATOM 0 HG2 GLN A 59 15.263 -5.143 -11.336 1.00 0.61 H new ATOM 0 HG3 GLN A 59 15.161 -5.914 -9.766 1.00 0.61 H new ATOM 0 HE21 GLN A 59 17.141 -6.255 -11.934 1.00 1.63 H new ATOM 0 HE22 GLN A 59 17.124 -7.976 -12.332 1.00 1.63 H new ATOM 988 N GLY A 60 10.380 -5.104 -9.755 1.00 0.48 N ATOM 989 CA GLY A 60 8.953 -4.990 -9.977 1.00 0.49 C ATOM 990 C GLY A 60 8.478 -3.554 -9.866 1.00 0.47 C ATOM 991 O GLY A 60 7.459 -3.180 -10.448 1.00 0.53 O ATOM 0 H GLY A 60 10.644 -5.554 -8.878 1.00 0.48 H new ATOM 0 HA2 GLY A 60 8.707 -5.379 -10.965 1.00 0.49 H new ATOM 0 HA3 GLY A 60 8.422 -5.606 -9.251 1.00 0.49 H new ATOM 995 N LEU A 61 9.221 -2.747 -9.118 1.00 0.42 N ATOM 996 CA LEU A 61 8.891 -1.341 -8.947 1.00 0.44 C ATOM 997 C LEU A 61 9.713 -0.515 -9.921 1.00 0.51 C ATOM 998 O LEU A 61 9.187 0.336 -10.640 1.00 0.58 O ATOM 999 CB LEU A 61 9.174 -0.886 -7.508 1.00 0.39 C ATOM 1000 CG LEU A 61 9.268 -2.008 -6.473 1.00 0.34 C ATOM 1001 CD1 LEU A 61 9.786 -1.472 -5.151 1.00 0.31 C ATOM 1002 CD2 LEU A 61 7.914 -2.678 -6.284 1.00 0.35 C ATOM 0 H LEU A 61 10.059 -3.046 -8.619 1.00 0.42 H new ATOM 0 HA LEU A 61 7.829 -1.200 -9.146 1.00 0.44 H new ATOM 0 HB2 LEU A 61 10.110 -0.327 -7.499 1.00 0.39 H new ATOM 0 HB3 LEU A 61 8.387 -0.197 -7.201 1.00 0.39 H new ATOM 0 HG LEU A 61 9.972 -2.755 -6.841 1.00 0.34 H new ATOM 0 HD11 LEU A 61 9.846 -2.285 -4.427 1.00 0.31 H new ATOM 0 HD12 LEU A 61 10.777 -1.041 -5.296 1.00 0.31 H new ATOM 0 HD13 LEU A 61 9.108 -0.704 -4.779 1.00 0.31 H new ATOM 0 HD21 LEU A 61 8.002 -3.473 -5.544 1.00 0.35 H new ATOM 0 HD22 LEU A 61 7.188 -1.941 -5.940 1.00 0.35 H new ATOM 0 HD23 LEU A 61 7.581 -3.100 -7.232 1.00 0.35 H new ATOM 1014 N ASP A 62 11.009 -0.804 -9.945 1.00 0.50 N ATOM 1015 CA ASP A 62 11.952 -0.132 -10.829 1.00 0.59 C ATOM 1016 C ASP A 62 11.801 -0.652 -12.251 1.00 0.70 C ATOM 1017 O ASP A 62 12.599 -1.464 -12.728 1.00 0.75 O ATOM 1018 CB ASP A 62 13.389 -0.350 -10.341 1.00 0.57 C ATOM 1019 CG ASP A 62 14.419 0.401 -11.170 1.00 0.64 C ATOM 1020 OD1 ASP A 62 14.049 1.360 -11.882 1.00 1.40 O ATOM 1021 OD2 ASP A 62 15.611 0.034 -11.112 1.00 1.11 O ATOM 0 H ASP A 62 11.436 -1.514 -9.350 1.00 0.50 H new ATOM 0 HA ASP A 62 11.736 0.936 -10.818 1.00 0.59 H new ATOM 0 HB2 ASP A 62 13.466 -0.032 -9.301 1.00 0.57 H new ATOM 0 HB3 ASP A 62 13.618 -1.415 -10.366 1.00 0.57 H new ATOM 1026 N ALA A 63 10.758 -0.191 -12.915 1.00 0.78 N ATOM 1027 CA ALA A 63 10.496 -0.568 -14.293 1.00 0.94 C ATOM 1028 C ALA A 63 11.492 0.103 -15.231 1.00 1.12 C ATOM 1029 O ALA A 63 11.690 -0.337 -16.363 1.00 1.30 O ATOM 1030 CB ALA A 63 9.071 -0.204 -14.677 1.00 0.99 C ATOM 0 H ALA A 63 10.072 0.451 -12.519 1.00 0.78 H new ATOM 0 HA ALA A 63 10.615 -1.648 -14.386 1.00 0.94 H new ATOM 0 HB1 ALA A 63 8.888 -0.492 -15.712 1.00 0.99 H new ATOM 0 HB2 ALA A 63 8.373 -0.730 -14.025 1.00 0.99 H new ATOM 0 HB3 ALA A 63 8.928 0.871 -14.569 1.00 0.99 H new ATOM 1036 N ASN A 64 12.125 1.164 -14.747 1.00 1.09 N ATOM 1037 CA ASN A 64 13.105 1.894 -15.539 1.00 1.28 C ATOM 1038 C ASN A 64 14.457 1.188 -15.490 1.00 1.21 C ATOM 1039 O ASN A 64 15.307 1.374 -16.362 1.00 1.37 O ATOM 1040 CB ASN A 64 13.242 3.331 -15.022 1.00 1.34 C ATOM 1041 CG ASN A 64 14.160 4.186 -15.876 1.00 2.03 C ATOM 1042 OD1 ASN A 64 14.272 3.987 -17.084 1.00 2.55 O ATOM 1043 ND2 ASN A 64 14.821 5.148 -15.250 1.00 2.80 N ATOM 0 H ASN A 64 11.977 1.538 -13.810 1.00 1.09 H new ATOM 0 HA ASN A 64 12.763 1.924 -16.573 1.00 1.28 H new ATOM 0 HB2 ASN A 64 12.255 3.793 -14.985 1.00 1.34 H new ATOM 0 HB3 ASN A 64 13.622 3.309 -14.001 1.00 1.34 H new ATOM 0 HD21 ASN A 64 15.451 5.757 -15.772 1.00 2.80 H new ATOM 0 HD22 ASN A 64 14.700 5.280 -14.246 1.00 2.80 H new ATOM 1050 N GLN A 65 14.621 0.358 -14.458 1.00 1.03 N ATOM 1051 CA GLN A 65 15.819 -0.458 -14.263 1.00 1.05 C ATOM 1052 C GLN A 65 17.058 0.408 -14.075 1.00 1.04 C ATOM 1053 O GLN A 65 18.159 0.027 -14.473 1.00 1.17 O ATOM 1054 CB GLN A 65 16.019 -1.427 -15.429 1.00 1.31 C ATOM 1055 CG GLN A 65 14.907 -2.455 -15.558 1.00 1.37 C ATOM 1056 CD GLN A 65 15.158 -3.458 -16.666 1.00 2.03 C ATOM 1057 OE1 GLN A 65 15.856 -3.035 -17.709 1.00 2.72 O flip ATOM 1058 NE2 GLN A 65 14.725 -4.606 -16.585 1.00 2.57 N flip ATOM 0 H GLN A 65 13.919 0.233 -13.728 1.00 1.03 H new ATOM 0 HA GLN A 65 15.672 -1.039 -13.353 1.00 1.05 H new ATOM 0 HB2 GLN A 65 16.087 -0.858 -16.356 1.00 1.31 H new ATOM 0 HB3 GLN A 65 16.970 -1.945 -15.302 1.00 1.31 H new ATOM 0 HG2 GLN A 65 14.798 -2.986 -14.612 1.00 1.37 H new ATOM 0 HG3 GLN A 65 13.964 -1.941 -15.746 1.00 1.37 H new ATOM 0 HE21 GLN A 65 14.191 -4.893 -15.764 1.00 2.57 H new ATOM 0 HE22 GLN A 65 14.899 -5.271 -17.338 1.00 2.57 H new ATOM 1067 N ASP A 66 16.877 1.560 -13.442 1.00 0.93 N ATOM 1068 CA ASP A 66 17.974 2.502 -13.238 1.00 0.95 C ATOM 1069 C ASP A 66 18.487 2.414 -11.801 1.00 0.81 C ATOM 1070 O ASP A 66 19.396 3.144 -11.399 1.00 0.82 O ATOM 1071 CB ASP A 66 17.516 3.928 -13.563 1.00 1.06 C ATOM 1072 CG ASP A 66 18.664 4.919 -13.620 1.00 1.42 C ATOM 1073 OD1 ASP A 66 19.509 4.809 -14.534 1.00 2.13 O ATOM 1074 OD2 ASP A 66 18.723 5.814 -12.754 1.00 1.89 O ATOM 0 H ASP A 66 15.982 1.866 -13.060 1.00 0.93 H new ATOM 0 HA ASP A 66 18.791 2.242 -13.911 1.00 0.95 H new ATOM 0 HB2 ASP A 66 16.995 3.927 -14.521 1.00 1.06 H new ATOM 0 HB3 ASP A 66 16.798 4.254 -12.810 1.00 1.06 H new ATOM 1079 N GLU A 67 17.891 1.499 -11.043 1.00 0.73 N ATOM 1080 CA GLU A 67 18.270 1.227 -9.658 1.00 0.63 C ATOM 1081 C GLU A 67 17.887 2.394 -8.744 1.00 0.58 C ATOM 1082 O GLU A 67 18.643 2.791 -7.853 1.00 0.60 O ATOM 1083 CB GLU A 67 19.765 0.893 -9.536 1.00 0.68 C ATOM 1084 CG GLU A 67 20.140 0.250 -8.207 1.00 0.97 C ATOM 1085 CD GLU A 67 21.593 -0.165 -8.141 1.00 1.42 C ATOM 1086 OE1 GLU A 67 22.440 0.666 -7.754 1.00 2.01 O ATOM 1087 OE2 GLU A 67 21.896 -1.328 -8.470 1.00 2.02 O ATOM 0 H GLU A 67 17.122 0.918 -11.376 1.00 0.73 H new ATOM 0 HA GLU A 67 17.713 0.349 -9.332 1.00 0.63 H new ATOM 0 HB2 GLU A 67 20.046 0.221 -10.347 1.00 0.68 H new ATOM 0 HB3 GLU A 67 20.345 1.807 -9.664 1.00 0.68 H new ATOM 0 HG2 GLU A 67 19.931 0.951 -7.399 1.00 0.97 H new ATOM 0 HG3 GLU A 67 19.510 -0.624 -8.042 1.00 0.97 H new ATOM 1094 N GLN A 68 16.705 2.944 -8.981 1.00 0.61 N ATOM 1095 CA GLN A 68 16.136 3.972 -8.114 1.00 0.65 C ATOM 1096 C GLN A 68 14.627 3.809 -8.047 1.00 0.66 C ATOM 1097 O GLN A 68 13.948 3.929 -9.062 1.00 0.78 O ATOM 1098 CB GLN A 68 16.451 5.384 -8.626 1.00 0.85 C ATOM 1099 CG GLN A 68 17.925 5.745 -8.625 1.00 1.38 C ATOM 1100 CD GLN A 68 18.154 7.217 -8.909 1.00 1.63 C ATOM 1101 OE1 GLN A 68 17.335 8.065 -8.558 1.00 2.16 O ATOM 1102 NE2 GLN A 68 19.265 7.528 -9.550 1.00 2.07 N ATOM 0 H GLN A 68 16.114 2.694 -9.774 1.00 0.61 H new ATOM 0 HA GLN A 68 16.581 3.850 -7.127 1.00 0.65 H new ATOM 0 HB2 GLN A 68 16.068 5.481 -9.642 1.00 0.85 H new ATOM 0 HB3 GLN A 68 15.914 6.107 -8.012 1.00 0.85 H new ATOM 0 HG2 GLN A 68 18.359 5.491 -7.658 1.00 1.38 H new ATOM 0 HG3 GLN A 68 18.444 5.147 -9.374 1.00 1.38 H new ATOM 0 HE21 GLN A 68 19.918 6.794 -9.824 1.00 2.07 H new ATOM 0 HE22 GLN A 68 19.470 8.502 -9.772 1.00 2.07 H new ATOM 1111 N VAL A 69 14.100 3.541 -6.864 1.00 0.59 N ATOM 1112 CA VAL A 69 12.657 3.445 -6.696 1.00 0.64 C ATOM 1113 C VAL A 69 12.081 4.722 -6.094 1.00 0.64 C ATOM 1114 O VAL A 69 12.466 5.160 -5.010 1.00 0.68 O ATOM 1115 CB VAL A 69 12.234 2.220 -5.852 1.00 0.72 C ATOM 1116 CG1 VAL A 69 12.463 0.941 -6.638 1.00 1.81 C ATOM 1117 CG2 VAL A 69 12.975 2.170 -4.523 1.00 1.22 C ATOM 0 H VAL A 69 14.641 3.387 -6.013 1.00 0.59 H new ATOM 0 HA VAL A 69 12.245 3.310 -7.696 1.00 0.64 H new ATOM 0 HB VAL A 69 11.171 2.317 -5.630 1.00 0.72 H new ATOM 0 HG11 VAL A 69 12.162 0.084 -6.035 1.00 1.81 H new ATOM 0 HG12 VAL A 69 11.872 0.966 -7.554 1.00 1.81 H new ATOM 0 HG13 VAL A 69 13.520 0.853 -6.891 1.00 1.81 H new ATOM 0 HG21 VAL A 69 12.651 1.296 -3.958 1.00 1.22 H new ATOM 0 HG22 VAL A 69 14.048 2.106 -4.707 1.00 1.22 H new ATOM 0 HG23 VAL A 69 12.758 3.072 -3.951 1.00 1.22 H new ATOM 1127 N ASP A 70 11.176 5.334 -6.838 1.00 0.67 N ATOM 1128 CA ASP A 70 10.475 6.531 -6.395 1.00 0.73 C ATOM 1129 C ASP A 70 9.444 6.184 -5.326 1.00 0.64 C ATOM 1130 O ASP A 70 9.220 5.009 -5.044 1.00 0.56 O ATOM 1131 CB ASP A 70 9.784 7.187 -7.592 1.00 0.84 C ATOM 1132 CG ASP A 70 9.044 8.455 -7.236 1.00 1.38 C ATOM 1133 OD1 ASP A 70 9.700 9.474 -6.950 1.00 1.99 O ATOM 1134 OD2 ASP A 70 7.794 8.432 -7.234 1.00 2.02 O ATOM 0 H ASP A 70 10.905 5.016 -7.768 1.00 0.67 H new ATOM 0 HA ASP A 70 11.197 7.225 -5.964 1.00 0.73 H new ATOM 0 HB2 ASP A 70 10.530 7.412 -8.354 1.00 0.84 H new ATOM 0 HB3 ASP A 70 9.083 6.477 -8.032 1.00 0.84 H new ATOM 1139 N PHE A 71 8.811 7.191 -4.741 1.00 0.70 N ATOM 1140 CA PHE A 71 7.749 6.965 -3.770 1.00 0.66 C ATOM 1141 C PHE A 71 6.632 6.141 -4.404 1.00 0.55 C ATOM 1142 O PHE A 71 5.990 5.334 -3.743 1.00 0.48 O ATOM 1143 CB PHE A 71 7.187 8.296 -3.272 1.00 0.82 C ATOM 1144 CG PHE A 71 8.239 9.343 -3.038 1.00 1.12 C ATOM 1145 CD1 PHE A 71 9.126 9.233 -1.982 1.00 1.50 C ATOM 1146 CD2 PHE A 71 8.346 10.432 -3.885 1.00 1.92 C ATOM 1147 CE1 PHE A 71 10.100 10.192 -1.775 1.00 1.76 C ATOM 1148 CE2 PHE A 71 9.317 11.392 -3.684 1.00 2.17 C ATOM 1149 CZ PHE A 71 10.195 11.271 -2.628 1.00 1.76 C ATOM 0 H PHE A 71 9.015 8.174 -4.922 1.00 0.70 H new ATOM 0 HA PHE A 71 8.164 6.420 -2.922 1.00 0.66 H new ATOM 0 HB2 PHE A 71 6.467 8.672 -3.999 1.00 0.82 H new ATOM 0 HB3 PHE A 71 6.642 8.126 -2.343 1.00 0.82 H new ATOM 0 HD1 PHE A 71 9.057 8.389 -1.312 1.00 1.50 H new ATOM 0 HD2 PHE A 71 7.661 10.532 -4.714 1.00 1.92 H new ATOM 0 HE1 PHE A 71 10.786 10.096 -0.946 1.00 1.76 H new ATOM 0 HE2 PHE A 71 9.389 12.237 -4.353 1.00 2.17 H new ATOM 0 HZ PHE A 71 10.956 12.020 -2.469 1.00 1.76 H new ATOM 1159 N GLN A 72 6.412 6.360 -5.699 1.00 0.59 N ATOM 1160 CA GLN A 72 5.425 5.598 -6.460 1.00 0.56 C ATOM 1161 C GLN A 72 5.846 4.135 -6.584 1.00 0.49 C ATOM 1162 O GLN A 72 5.031 3.221 -6.464 1.00 0.47 O ATOM 1163 CB GLN A 72 5.268 6.197 -7.858 1.00 0.69 C ATOM 1164 CG GLN A 72 4.286 5.434 -8.724 1.00 0.74 C ATOM 1165 CD GLN A 72 4.358 5.823 -10.188 1.00 1.08 C ATOM 1166 OE1 GLN A 72 5.122 5.242 -10.961 1.00 1.66 O ATOM 1167 NE2 GLN A 72 3.559 6.801 -10.581 1.00 1.66 N ATOM 0 H GLN A 72 6.908 7.064 -6.246 1.00 0.59 H new ATOM 0 HA GLN A 72 4.475 5.648 -5.929 1.00 0.56 H new ATOM 0 HB2 GLN A 72 4.937 7.232 -7.769 1.00 0.69 H new ATOM 0 HB3 GLN A 72 6.240 6.215 -8.351 1.00 0.69 H new ATOM 0 HG2 GLN A 72 4.480 4.366 -8.628 1.00 0.74 H new ATOM 0 HG3 GLN A 72 3.275 5.609 -8.357 1.00 0.74 H new ATOM 0 HE21 GLN A 72 2.941 7.256 -9.909 1.00 1.66 H new ATOM 0 HE22 GLN A 72 3.560 7.100 -11.556 1.00 1.66 H new ATOM 1176 N GLU A 73 7.123 3.929 -6.830 1.00 0.49 N ATOM 1177 CA GLU A 73 7.672 2.591 -6.970 1.00 0.46 C ATOM 1178 C GLU A 73 7.720 1.900 -5.614 1.00 0.36 C ATOM 1179 O GLU A 73 7.432 0.713 -5.500 1.00 0.32 O ATOM 1180 CB GLU A 73 9.051 2.679 -7.612 1.00 0.56 C ATOM 1181 CG GLU A 73 8.995 3.313 -8.993 1.00 0.78 C ATOM 1182 CD GLU A 73 10.356 3.594 -9.587 1.00 1.15 C ATOM 1183 OE1 GLU A 73 10.911 2.709 -10.254 1.00 1.99 O ATOM 1184 OE2 GLU A 73 10.859 4.722 -9.413 1.00 1.82 O ATOM 0 H GLU A 73 7.808 4.677 -6.938 1.00 0.49 H new ATOM 0 HA GLU A 73 7.033 1.991 -7.617 1.00 0.46 H new ATOM 0 HB2 GLU A 73 9.713 3.262 -6.972 1.00 0.56 H new ATOM 0 HB3 GLU A 73 9.480 1.680 -7.688 1.00 0.56 H new ATOM 0 HG2 GLU A 73 8.444 2.654 -9.664 1.00 0.78 H new ATOM 0 HG3 GLU A 73 8.435 4.246 -8.933 1.00 0.78 H new ATOM 1191 N PHE A 74 8.051 2.659 -4.582 1.00 0.37 N ATOM 1192 CA PHE A 74 7.964 2.170 -3.216 1.00 0.34 C ATOM 1193 C PHE A 74 6.513 1.851 -2.868 1.00 0.32 C ATOM 1194 O PHE A 74 6.228 0.940 -2.093 1.00 0.33 O ATOM 1195 CB PHE A 74 8.539 3.204 -2.244 1.00 0.43 C ATOM 1196 CG PHE A 74 8.304 2.864 -0.798 1.00 0.78 C ATOM 1197 CD1 PHE A 74 9.086 1.913 -0.161 1.00 1.44 C ATOM 1198 CD2 PHE A 74 7.293 3.486 -0.080 1.00 1.31 C ATOM 1199 CE1 PHE A 74 8.867 1.589 1.165 1.00 1.92 C ATOM 1200 CE2 PHE A 74 7.068 3.165 1.245 1.00 1.77 C ATOM 1201 CZ PHE A 74 7.856 2.216 1.869 1.00 1.89 C ATOM 0 H PHE A 74 8.384 3.620 -4.665 1.00 0.37 H new ATOM 0 HA PHE A 74 8.551 1.256 -3.128 1.00 0.34 H new ATOM 0 HB2 PHE A 74 9.611 3.297 -2.417 1.00 0.43 H new ATOM 0 HB3 PHE A 74 8.096 4.177 -2.457 1.00 0.43 H new ATOM 0 HD1 PHE A 74 9.876 1.419 -0.707 1.00 1.44 H new ATOM 0 HD2 PHE A 74 6.675 4.229 -0.562 1.00 1.31 H new ATOM 0 HE1 PHE A 74 9.485 0.847 1.650 1.00 1.92 H new ATOM 0 HE2 PHE A 74 6.277 3.655 1.793 1.00 1.77 H new ATOM 0 HZ PHE A 74 7.682 1.965 2.905 1.00 1.89 H new ATOM 1211 N ILE A 75 5.604 2.595 -3.476 1.00 0.33 N ATOM 1212 CA ILE A 75 4.182 2.346 -3.332 1.00 0.35 C ATOM 1213 C ILE A 75 3.854 0.981 -3.915 1.00 0.34 C ATOM 1214 O ILE A 75 3.049 0.223 -3.370 1.00 0.36 O ATOM 1215 CB ILE A 75 3.366 3.455 -4.036 1.00 0.41 C ATOM 1216 CG1 ILE A 75 2.988 4.549 -3.045 1.00 0.49 C ATOM 1217 CG2 ILE A 75 2.135 2.898 -4.722 1.00 0.45 C ATOM 1218 CD1 ILE A 75 2.446 5.785 -3.715 1.00 0.67 C ATOM 0 H ILE A 75 5.831 3.385 -4.080 1.00 0.33 H new ATOM 0 HA ILE A 75 3.915 2.356 -2.275 1.00 0.35 H new ATOM 0 HB ILE A 75 3.998 3.890 -4.810 1.00 0.41 H new ATOM 0 HG12 ILE A 75 2.242 4.162 -2.351 1.00 0.49 H new ATOM 0 HG13 ILE A 75 3.865 4.816 -2.455 1.00 0.49 H new ATOM 0 HG21 ILE A 75 1.589 3.709 -5.205 1.00 0.45 H new ATOM 0 HG22 ILE A 75 2.436 2.166 -5.472 1.00 0.45 H new ATOM 0 HG23 ILE A 75 1.493 2.417 -3.984 1.00 0.45 H new ATOM 0 HD11 ILE A 75 2.194 6.528 -2.958 1.00 0.67 H new ATOM 0 HD12 ILE A 75 3.199 6.194 -4.389 1.00 0.67 H new ATOM 0 HD13 ILE A 75 1.552 5.529 -4.283 1.00 0.67 H new ATOM 1230 N SER A 76 4.520 0.666 -5.016 1.00 0.34 N ATOM 1231 CA SER A 76 4.367 -0.620 -5.654 1.00 0.36 C ATOM 1232 C SER A 76 4.913 -1.723 -4.752 1.00 0.31 C ATOM 1233 O SER A 76 4.382 -2.819 -4.719 1.00 0.33 O ATOM 1234 CB SER A 76 5.072 -0.617 -7.006 1.00 0.45 C ATOM 1235 OG SER A 76 4.540 0.393 -7.850 1.00 0.74 O ATOM 0 H SER A 76 5.175 1.293 -5.484 1.00 0.34 H new ATOM 0 HA SER A 76 3.308 -0.814 -5.821 1.00 0.36 H new ATOM 0 HB2 SER A 76 6.140 -0.453 -6.864 1.00 0.45 H new ATOM 0 HB3 SER A 76 4.960 -1.591 -7.482 1.00 0.45 H new ATOM 0 HG SER A 76 4.737 1.274 -7.470 1.00 0.74 H new ATOM 1241 N LEU A 77 5.965 -1.421 -4.001 1.00 0.28 N ATOM 1242 CA LEU A 77 6.503 -2.372 -3.033 1.00 0.26 C ATOM 1243 C LEU A 77 5.422 -2.736 -2.027 1.00 0.23 C ATOM 1244 O LEU A 77 5.215 -3.908 -1.721 1.00 0.23 O ATOM 1245 CB LEU A 77 7.745 -1.776 -2.338 1.00 0.30 C ATOM 1246 CG LEU A 77 8.332 -2.552 -1.138 1.00 0.38 C ATOM 1247 CD1 LEU A 77 7.632 -2.172 0.160 1.00 1.11 C ATOM 1248 CD2 LEU A 77 8.251 -4.056 -1.358 1.00 1.15 C ATOM 0 H LEU A 77 6.461 -0.531 -4.042 1.00 0.28 H new ATOM 0 HA LEU A 77 6.816 -3.282 -3.545 1.00 0.26 H new ATOM 0 HB2 LEU A 77 8.530 -1.669 -3.086 1.00 0.30 H new ATOM 0 HB3 LEU A 77 7.491 -0.772 -1.998 1.00 0.30 H new ATOM 0 HG LEU A 77 9.383 -2.274 -1.057 1.00 0.38 H new ATOM 0 HD11 LEU A 77 8.067 -2.734 0.986 1.00 1.11 H new ATOM 0 HD12 LEU A 77 7.757 -1.105 0.342 1.00 1.11 H new ATOM 0 HD13 LEU A 77 6.570 -2.405 0.082 1.00 1.11 H new ATOM 0 HD21 LEU A 77 8.672 -4.573 -0.496 1.00 1.15 H new ATOM 0 HD22 LEU A 77 7.209 -4.350 -1.484 1.00 1.15 H new ATOM 0 HD23 LEU A 77 8.814 -4.324 -2.252 1.00 1.15 H new ATOM 1260 N VAL A 78 4.718 -1.731 -1.539 1.00 0.24 N ATOM 1261 CA VAL A 78 3.656 -1.960 -0.579 1.00 0.25 C ATOM 1262 C VAL A 78 2.528 -2.741 -1.229 1.00 0.27 C ATOM 1263 O VAL A 78 1.829 -3.497 -0.572 1.00 0.28 O ATOM 1264 CB VAL A 78 3.106 -0.647 -0.012 1.00 0.29 C ATOM 1265 CG1 VAL A 78 2.185 -0.934 1.158 1.00 0.33 C ATOM 1266 CG2 VAL A 78 4.250 0.273 0.392 1.00 0.31 C ATOM 0 H VAL A 78 4.862 -0.753 -1.791 1.00 0.24 H new ATOM 0 HA VAL A 78 4.079 -2.533 0.246 1.00 0.25 H new ATOM 0 HB VAL A 78 2.526 -0.137 -0.781 1.00 0.29 H new ATOM 0 HG11 VAL A 78 1.798 0.004 1.555 1.00 0.33 H new ATOM 0 HG12 VAL A 78 1.355 -1.556 0.823 1.00 0.33 H new ATOM 0 HG13 VAL A 78 2.739 -1.457 1.937 1.00 0.33 H new ATOM 0 HG21 VAL A 78 3.845 1.202 0.793 1.00 0.31 H new ATOM 0 HG22 VAL A 78 4.859 -0.216 1.153 1.00 0.31 H new ATOM 0 HG23 VAL A 78 4.866 0.492 -0.480 1.00 0.31 H new ATOM 1276 N ALA A 79 2.367 -2.556 -2.527 1.00 0.31 N ATOM 1277 CA ALA A 79 1.419 -3.341 -3.297 1.00 0.35 C ATOM 1278 C ALA A 79 1.788 -4.821 -3.226 1.00 0.33 C ATOM 1279 O ALA A 79 0.960 -5.668 -2.891 1.00 0.33 O ATOM 1280 CB ALA A 79 1.405 -2.865 -4.742 1.00 0.43 C ATOM 0 H ALA A 79 2.883 -1.866 -3.072 1.00 0.31 H new ATOM 0 HA ALA A 79 0.422 -3.211 -2.877 1.00 0.35 H new ATOM 0 HB1 ALA A 79 0.692 -3.458 -5.314 1.00 0.43 H new ATOM 0 HB2 ALA A 79 1.114 -1.815 -4.776 1.00 0.43 H new ATOM 0 HB3 ALA A 79 2.400 -2.980 -5.173 1.00 0.43 H new ATOM 1286 N ILE A 80 3.050 -5.107 -3.520 1.00 0.32 N ATOM 1287 CA ILE A 80 3.596 -6.461 -3.434 1.00 0.32 C ATOM 1288 C ILE A 80 3.482 -6.994 -2.007 1.00 0.28 C ATOM 1289 O ILE A 80 3.226 -8.176 -1.788 1.00 0.31 O ATOM 1290 CB ILE A 80 5.089 -6.489 -3.879 1.00 0.34 C ATOM 1291 CG1 ILE A 80 5.237 -6.463 -5.409 1.00 0.38 C ATOM 1292 CG2 ILE A 80 5.805 -7.712 -3.321 1.00 0.36 C ATOM 1293 CD1 ILE A 80 4.559 -5.299 -6.097 1.00 0.40 C ATOM 0 H ILE A 80 3.727 -4.408 -3.825 1.00 0.32 H new ATOM 0 HA ILE A 80 3.016 -7.096 -4.104 1.00 0.32 H new ATOM 0 HB ILE A 80 5.549 -5.587 -3.476 1.00 0.34 H new ATOM 0 HG12 ILE A 80 6.298 -6.443 -5.656 1.00 0.38 H new ATOM 0 HG13 ILE A 80 4.833 -7.391 -5.814 1.00 0.38 H new ATOM 0 HG21 ILE A 80 6.845 -7.705 -3.648 1.00 0.36 H new ATOM 0 HG22 ILE A 80 5.767 -7.691 -2.232 1.00 0.36 H new ATOM 0 HG23 ILE A 80 5.317 -8.616 -3.684 1.00 0.36 H new ATOM 0 HD11 ILE A 80 4.720 -5.368 -7.173 1.00 0.40 H new ATOM 0 HD12 ILE A 80 3.490 -5.325 -5.887 1.00 0.40 H new ATOM 0 HD13 ILE A 80 4.978 -4.363 -5.727 1.00 0.40 H new ATOM 1305 N ALA A 81 3.647 -6.104 -1.048 1.00 0.23 N ATOM 1306 CA ALA A 81 3.674 -6.477 0.354 1.00 0.23 C ATOM 1307 C ALA A 81 2.271 -6.708 0.923 1.00 0.23 C ATOM 1308 O ALA A 81 2.076 -7.569 1.779 1.00 0.28 O ATOM 1309 CB ALA A 81 4.424 -5.419 1.131 1.00 0.24 C ATOM 0 H ALA A 81 3.766 -5.105 -1.217 1.00 0.23 H new ATOM 0 HA ALA A 81 4.193 -7.431 0.450 1.00 0.23 H new ATOM 0 HB1 ALA A 81 4.449 -5.692 2.186 1.00 0.24 H new ATOM 0 HB2 ALA A 81 5.443 -5.343 0.752 1.00 0.24 H new ATOM 0 HB3 ALA A 81 3.921 -4.459 1.016 1.00 0.24 H new ATOM 1315 N LEU A 82 1.297 -5.943 0.451 1.00 0.22 N ATOM 1316 CA LEU A 82 -0.098 -6.191 0.799 1.00 0.23 C ATOM 1317 C LEU A 82 -0.551 -7.463 0.118 1.00 0.24 C ATOM 1318 O LEU A 82 -1.324 -8.257 0.669 1.00 0.29 O ATOM 1319 CB LEU A 82 -0.986 -5.032 0.362 1.00 0.25 C ATOM 1320 CG LEU A 82 -0.708 -3.696 1.041 1.00 0.26 C ATOM 1321 CD1 LEU A 82 -1.698 -2.665 0.561 1.00 0.33 C ATOM 1322 CD2 LEU A 82 -0.774 -3.834 2.552 1.00 0.31 C ATOM 0 H LEU A 82 1.444 -5.148 -0.171 1.00 0.22 H new ATOM 0 HA LEU A 82 -0.180 -6.290 1.881 1.00 0.23 H new ATOM 0 HB2 LEU A 82 -0.878 -4.901 -0.715 1.00 0.25 H new ATOM 0 HB3 LEU A 82 -2.025 -5.304 0.547 1.00 0.25 H new ATOM 0 HG LEU A 82 0.299 -3.372 0.777 1.00 0.26 H new ATOM 0 HD11 LEU A 82 -1.496 -1.712 1.049 1.00 0.33 H new ATOM 0 HD12 LEU A 82 -1.606 -2.547 -0.519 1.00 0.33 H new ATOM 0 HD13 LEU A 82 -2.709 -2.990 0.805 1.00 0.33 H new ATOM 0 HD21 LEU A 82 -0.572 -2.868 3.015 1.00 0.31 H new ATOM 0 HD22 LEU A 82 -1.767 -4.175 2.843 1.00 0.31 H new ATOM 0 HD23 LEU A 82 -0.030 -4.558 2.884 1.00 0.31 H new ATOM 1334 N LYS A 83 -0.056 -7.636 -1.100 1.00 0.26 N ATOM 1335 CA LYS A 83 -0.211 -8.872 -1.834 1.00 0.33 C ATOM 1336 C LYS A 83 0.347 -10.030 -1.012 1.00 0.31 C ATOM 1337 O LYS A 83 -0.223 -11.117 -0.979 1.00 0.44 O ATOM 1338 CB LYS A 83 0.522 -8.763 -3.170 1.00 0.42 C ATOM 1339 CG LYS A 83 -0.426 -8.726 -4.339 1.00 0.66 C ATOM 1340 CD LYS A 83 -1.266 -9.975 -4.351 1.00 1.04 C ATOM 1341 CE LYS A 83 -2.587 -9.759 -5.046 1.00 0.80 C ATOM 1342 NZ LYS A 83 -3.396 -8.682 -4.428 1.00 1.67 N ATOM 0 H LYS A 83 0.465 -6.918 -1.603 1.00 0.26 H new ATOM 0 HA LYS A 83 -1.268 -9.058 -2.025 1.00 0.33 H new ATOM 0 HB2 LYS A 83 1.135 -7.862 -3.173 1.00 0.42 H new ATOM 0 HB3 LYS A 83 1.199 -9.610 -3.281 1.00 0.42 H new ATOM 0 HG2 LYS A 83 -1.066 -7.846 -4.273 1.00 0.66 H new ATOM 0 HG3 LYS A 83 0.133 -8.644 -5.271 1.00 0.66 H new ATOM 0 HD2 LYS A 83 -0.720 -10.775 -4.851 1.00 1.04 H new ATOM 0 HD3 LYS A 83 -1.444 -10.302 -3.327 1.00 1.04 H new ATOM 0 HE2 LYS A 83 -2.405 -9.515 -6.093 1.00 0.80 H new ATOM 0 HE3 LYS A 83 -3.156 -10.688 -5.030 1.00 0.80 H new ATOM 0 HZ1 LYS A 83 -4.322 -9.062 -4.146 1.00 1.67 H new ATOM 0 HZ2 LYS A 83 -2.903 -8.315 -3.589 1.00 1.67 H new ATOM 0 HZ3 LYS A 83 -3.532 -7.912 -5.114 1.00 1.67 H new ATOM 1356 N ALA A 84 1.447 -9.755 -0.322 1.00 0.31 N ATOM 1357 CA ALA A 84 2.145 -10.746 0.483 1.00 0.35 C ATOM 1358 C ALA A 84 1.390 -11.107 1.743 1.00 0.33 C ATOM 1359 O ALA A 84 1.489 -12.226 2.228 1.00 0.40 O ATOM 1360 CB ALA A 84 3.528 -10.235 0.839 1.00 0.48 C ATOM 0 H ALA A 84 1.881 -8.832 -0.306 1.00 0.31 H new ATOM 0 HA ALA A 84 2.223 -11.653 -0.116 1.00 0.35 H new ATOM 0 HB1 ALA A 84 4.047 -10.980 1.442 1.00 0.48 H new ATOM 0 HB2 ALA A 84 4.093 -10.049 -0.074 1.00 0.48 H new ATOM 0 HB3 ALA A 84 3.439 -9.308 1.406 1.00 0.48 H new ATOM 1366 N ALA A 85 0.655 -10.161 2.285 1.00 0.30 N ATOM 1367 CA ALA A 85 -0.073 -10.401 3.513 1.00 0.38 C ATOM 1368 C ALA A 85 -1.413 -11.090 3.250 1.00 0.44 C ATOM 1369 O ALA A 85 -1.681 -12.161 3.795 1.00 0.57 O ATOM 1370 CB ALA A 85 -0.259 -9.097 4.269 1.00 0.43 C ATOM 0 H ALA A 85 0.545 -9.224 1.898 1.00 0.30 H new ATOM 0 HA ALA A 85 0.514 -11.080 4.131 1.00 0.38 H new ATOM 0 HB1 ALA A 85 -0.808 -9.286 5.192 1.00 0.43 H new ATOM 0 HB2 ALA A 85 0.716 -8.672 4.507 1.00 0.43 H new ATOM 0 HB3 ALA A 85 -0.819 -8.395 3.651 1.00 0.43 H new ATOM 1376 N HIS A 86 -2.252 -10.493 2.411 1.00 0.44 N ATOM 1377 CA HIS A 86 -3.602 -11.019 2.203 1.00 0.59 C ATOM 1378 C HIS A 86 -3.631 -12.102 1.114 1.00 0.63 C ATOM 1379 O HIS A 86 -4.256 -13.140 1.291 1.00 0.72 O ATOM 1380 CB HIS A 86 -4.586 -9.872 1.902 1.00 0.69 C ATOM 1381 CG HIS A 86 -6.033 -10.292 1.834 1.00 1.28 C ATOM 1382 ND1 HIS A 86 -6.545 -11.144 0.876 1.00 2.06 N ATOM 1383 CD2 HIS A 86 -7.082 -9.968 2.632 1.00 2.11 C ATOM 1384 CE1 HIS A 86 -7.837 -11.322 1.091 1.00 2.66 C ATOM 1385 NE2 HIS A 86 -8.186 -10.621 2.149 1.00 2.68 N ATOM 0 H HIS A 86 -2.029 -9.657 1.870 1.00 0.44 H new ATOM 0 HA HIS A 86 -3.923 -11.502 3.126 1.00 0.59 H new ATOM 0 HB2 HIS A 86 -4.479 -9.107 2.671 1.00 0.69 H new ATOM 0 HB3 HIS A 86 -4.309 -9.412 0.953 1.00 0.69 H new ATOM 0 HD2 HIS A 86 -7.052 -9.314 3.491 1.00 2.11 H new ATOM 0 HE1 HIS A 86 -8.496 -11.939 0.498 1.00 2.66 H new ATOM 0 HE2 HIS A 86 -9.125 -10.572 2.545 1.00 2.68 H new ATOM 1394 N TYR A 87 -2.945 -11.866 -0.001 1.00 0.58 N ATOM 1395 CA TYR A 87 -2.901 -12.825 -1.115 1.00 0.65 C ATOM 1396 C TYR A 87 -1.712 -13.773 -0.940 1.00 0.62 C ATOM 1397 O TYR A 87 -1.165 -14.272 -1.915 1.00 0.66 O ATOM 1398 CB TYR A 87 -2.833 -12.120 -2.474 1.00 0.69 C ATOM 1399 CG TYR A 87 -3.618 -12.818 -3.565 1.00 0.87 C ATOM 1400 CD1 TYR A 87 -4.965 -12.542 -3.757 1.00 1.62 C ATOM 1401 CD2 TYR A 87 -3.014 -13.744 -4.404 1.00 1.44 C ATOM 1402 CE1 TYR A 87 -5.689 -13.170 -4.750 1.00 1.80 C ATOM 1403 CE2 TYR A 87 -3.732 -14.377 -5.399 1.00 1.55 C ATOM 1404 CZ TYR A 87 -5.069 -14.087 -5.568 1.00 1.29 C ATOM 1405 OH TYR A 87 -5.791 -14.717 -6.559 1.00 1.52 O ATOM 0 H TYR A 87 -2.407 -11.015 -0.163 1.00 0.58 H new ATOM 0 HA TYR A 87 -3.826 -13.401 -1.098 1.00 0.65 H new ATOM 0 HB2 TYR A 87 -3.208 -11.102 -2.364 1.00 0.69 H new ATOM 0 HB3 TYR A 87 -1.790 -12.044 -2.782 1.00 0.69 H new ATOM 0 HD1 TYR A 87 -5.455 -11.823 -3.118 1.00 1.62 H new ATOM 0 HD2 TYR A 87 -1.966 -13.973 -4.277 1.00 1.44 H new ATOM 0 HE1 TYR A 87 -6.736 -12.943 -4.884 1.00 1.80 H new ATOM 0 HE2 TYR A 87 -3.248 -15.097 -6.043 1.00 1.55 H new ATOM 0 HH TYR A 87 -5.207 -15.333 -7.048 1.00 1.52 H new ATOM 1415 N HIS A 88 -1.266 -13.876 0.313 1.00 0.59 N ATOM 1416 CA HIS A 88 -0.052 -14.598 0.767 1.00 0.62 C ATOM 1417 C HIS A 88 0.180 -16.032 0.212 1.00 0.69 C ATOM 1418 O HIS A 88 0.917 -16.802 0.823 1.00 0.75 O ATOM 1419 CB HIS A 88 -0.074 -14.657 2.302 1.00 0.65 C ATOM 1420 CG HIS A 88 -1.165 -15.505 2.888 1.00 1.54 C ATOM 1421 ND1 HIS A 88 -2.511 -15.436 2.768 1.00 2.37 N flip ATOM 1422 CD2 HIS A 88 -0.913 -16.561 3.734 1.00 2.40 C flip ATOM 1423 CE1 HIS A 88 -3.042 -16.443 3.532 1.00 3.25 C flip ATOM 1424 NE2 HIS A 88 -2.055 -17.108 4.104 1.00 3.26 N flip ATOM 0 H HIS A 88 -1.762 -13.438 1.089 1.00 0.59 H new ATOM 0 HA HIS A 88 0.778 -14.022 0.358 1.00 0.62 H new ATOM 0 HB2 HIS A 88 0.887 -15.036 2.650 1.00 0.65 H new ATOM 0 HB3 HIS A 88 -0.175 -13.643 2.688 1.00 0.65 H new ATOM 0 HD1 HIS A 88 -3.034 -14.760 2.212 1.00 2.37 H new ATOM 0 HD2 HIS A 88 0.067 -16.890 4.046 1.00 2.40 H new ATOM 0 HE1 HIS A 88 -4.094 -16.657 3.647 1.00 3.25 H new ATOM 1433 N THR A 89 -0.427 -16.398 -0.905 1.00 0.73 N ATOM 1434 CA THR A 89 -0.235 -17.723 -1.492 1.00 0.81 C ATOM 1435 C THR A 89 1.229 -17.969 -1.921 1.00 0.72 C ATOM 1436 O THR A 89 1.787 -19.029 -1.634 1.00 1.05 O ATOM 1437 CB THR A 89 -1.193 -17.948 -2.689 1.00 0.97 C ATOM 1438 OG1 THR A 89 -0.843 -19.141 -3.394 1.00 1.26 O ATOM 1439 CG2 THR A 89 -1.186 -16.765 -3.648 1.00 0.89 C ATOM 0 H THR A 89 -1.061 -15.795 -1.429 1.00 0.73 H new ATOM 0 HA THR A 89 -0.473 -18.447 -0.712 1.00 0.81 H new ATOM 0 HB THR A 89 -2.199 -18.049 -2.283 1.00 0.97 H new ATOM 0 HG1 THR A 89 -1.458 -19.269 -4.146 1.00 1.26 H new ATOM 0 HG21 THR A 89 -1.870 -16.962 -4.473 1.00 0.89 H new ATOM 0 HG22 THR A 89 -1.504 -15.866 -3.119 1.00 0.89 H new ATOM 0 HG23 THR A 89 -0.179 -16.619 -4.038 1.00 0.89 H new ATOM 1447 N HIS A 90 1.855 -16.997 -2.594 1.00 0.65 N ATOM 1448 CA HIS A 90 3.277 -17.112 -2.962 1.00 0.64 C ATOM 1449 C HIS A 90 3.972 -15.773 -2.884 1.00 0.93 C ATOM 1450 O HIS A 90 5.014 -15.557 -3.499 1.00 1.77 O ATOM 1451 CB HIS A 90 3.487 -17.732 -4.351 1.00 0.91 C ATOM 1452 CG HIS A 90 2.689 -17.111 -5.461 1.00 1.72 C ATOM 1453 ND1 HIS A 90 1.416 -17.333 -5.866 1.00 2.44 N flip ATOM 1454 CD2 HIS A 90 3.201 -16.161 -6.320 1.00 2.68 C flip ATOM 1455 CE1 HIS A 90 1.186 -16.521 -6.948 1.00 3.33 C flip ATOM 1456 NE2 HIS A 90 2.276 -15.825 -7.202 1.00 3.47 N flip ATOM 0 H HIS A 90 1.409 -16.130 -2.894 1.00 0.65 H new ATOM 0 HA HIS A 90 3.722 -17.789 -2.233 1.00 0.64 H new ATOM 0 HB2 HIS A 90 4.545 -17.663 -4.605 1.00 0.91 H new ATOM 0 HB3 HIS A 90 3.240 -18.792 -4.298 1.00 0.91 H new ATOM 0 HD2 HIS A 90 4.201 -15.755 -6.278 1.00 2.68 H new ATOM 0 HE1 HIS A 90 0.261 -16.462 -7.502 1.00 3.33 H new ATOM 0 HE2 HIS A 90 2.387 -15.143 -7.952 1.00 3.47 H new ATOM 1578 N GLU B 5 5.383 -7.408 9.381 1.00 1.20 N ATOM 1579 CA GLU B 5 5.068 -6.006 9.184 1.00 0.94 C ATOM 1580 C GLU B 5 3.653 -5.697 9.666 1.00 0.69 C ATOM 1581 O GLU B 5 2.678 -6.311 9.233 1.00 0.69 O ATOM 1582 CB GLU B 5 5.243 -5.636 7.714 1.00 1.39 C ATOM 1583 CG GLU B 5 5.833 -4.251 7.503 1.00 1.80 C ATOM 1584 CD GLU B 5 4.952 -3.163 8.062 1.00 2.48 C ATOM 1585 OE1 GLU B 5 3.997 -2.770 7.377 1.00 3.10 O ATOM 1586 OE2 GLU B 5 5.191 -2.714 9.203 1.00 3.00 O ATOM 0 HA GLU B 5 5.756 -5.403 9.776 1.00 0.94 H new ATOM 0 HB2 GLU B 5 5.888 -6.374 7.236 1.00 1.39 H new ATOM 0 HB3 GLU B 5 4.275 -5.689 7.216 1.00 1.39 H new ATOM 0 HG2 GLU B 5 6.814 -4.200 7.976 1.00 1.80 H new ATOM 0 HG3 GLU B 5 5.984 -4.081 6.437 1.00 1.80 H new ATOM 1593 N GLU B 6 3.561 -4.732 10.567 1.00 0.68 N ATOM 1594 CA GLU B 6 2.315 -4.424 11.252 1.00 0.67 C ATOM 1595 C GLU B 6 1.405 -3.558 10.384 1.00 0.54 C ATOM 1596 O GLU B 6 0.181 -3.609 10.503 1.00 0.60 O ATOM 1597 CB GLU B 6 2.631 -3.713 12.572 1.00 0.78 C ATOM 1598 CG GLU B 6 1.420 -3.474 13.459 1.00 1.06 C ATOM 1599 CD GLU B 6 0.756 -4.761 13.904 1.00 1.78 C ATOM 1600 OE1 GLU B 6 1.369 -5.509 14.693 1.00 2.51 O ATOM 1601 OE2 GLU B 6 -0.381 -5.032 13.465 1.00 2.48 O ATOM 0 H GLU B 6 4.345 -4.141 10.844 1.00 0.68 H new ATOM 0 HA GLU B 6 1.785 -5.355 11.454 1.00 0.67 H new ATOM 0 HB2 GLU B 6 3.360 -4.305 13.125 1.00 0.78 H new ATOM 0 HB3 GLU B 6 3.100 -2.754 12.352 1.00 0.78 H new ATOM 0 HG2 GLU B 6 1.725 -2.905 14.337 1.00 1.06 H new ATOM 0 HG3 GLU B 6 0.695 -2.864 12.920 1.00 1.06 H new ATOM 1608 N HIS B 7 2.002 -2.779 9.497 1.00 0.42 N ATOM 1609 CA HIS B 7 1.239 -1.850 8.680 1.00 0.38 C ATOM 1610 C HIS B 7 0.599 -2.592 7.513 1.00 0.35 C ATOM 1611 O HIS B 7 -0.602 -2.477 7.288 1.00 0.39 O ATOM 1612 CB HIS B 7 2.125 -0.708 8.168 1.00 0.43 C ATOM 1613 CG HIS B 7 2.887 0.003 9.248 1.00 0.95 C ATOM 1614 ND1 HIS B 7 4.121 -0.416 9.699 1.00 1.73 N ATOM 1615 CD2 HIS B 7 2.588 1.109 9.968 1.00 1.60 C ATOM 1616 CE1 HIS B 7 4.544 0.398 10.645 1.00 2.16 C ATOM 1617 NE2 HIS B 7 3.632 1.330 10.827 1.00 2.03 N ATOM 0 H HIS B 7 3.007 -2.771 9.325 1.00 0.42 H new ATOM 0 HA HIS B 7 0.455 -1.412 9.298 1.00 0.38 H new ATOM 0 HB2 HIS B 7 2.832 -1.108 7.441 1.00 0.43 H new ATOM 0 HB3 HIS B 7 1.501 0.014 7.641 1.00 0.43 H new ATOM 0 HD1 HIS B 7 4.628 -1.231 9.353 1.00 1.73 H new ATOM 0 HD2 HIS B 7 1.693 1.707 9.882 1.00 1.60 H new ATOM 0 HE1 HIS B 7 5.479 0.315 11.180 1.00 2.16 H new ATOM 1626 N LEU B 8 1.410 -3.364 6.791 1.00 0.34 N ATOM 1627 CA LEU B 8 0.931 -4.190 5.678 1.00 0.33 C ATOM 1628 C LEU B 8 -0.215 -5.090 6.107 1.00 0.34 C ATOM 1629 O LEU B 8 -1.332 -4.999 5.591 1.00 0.34 O ATOM 1630 CB LEU B 8 2.053 -5.085 5.178 1.00 0.33 C ATOM 1631 CG LEU B 8 3.317 -4.362 4.746 1.00 0.33 C ATOM 1632 CD1 LEU B 8 4.374 -5.370 4.362 1.00 0.33 C ATOM 1633 CD2 LEU B 8 3.029 -3.405 3.600 1.00 0.33 C ATOM 0 H LEU B 8 2.414 -3.436 6.958 1.00 0.34 H new ATOM 0 HA LEU B 8 0.590 -3.511 4.896 1.00 0.33 H new ATOM 0 HB2 LEU B 8 2.310 -5.792 5.967 1.00 0.33 H new ATOM 0 HB3 LEU B 8 1.682 -5.668 4.335 1.00 0.33 H new ATOM 0 HG LEU B 8 3.688 -3.768 5.581 1.00 0.33 H new ATOM 0 HD11 LEU B 8 5.279 -4.848 4.053 1.00 0.33 H new ATOM 0 HD12 LEU B 8 4.597 -6.007 5.218 1.00 0.33 H new ATOM 0 HD13 LEU B 8 4.009 -5.983 3.538 1.00 0.33 H new ATOM 0 HD21 LEU B 8 3.949 -2.899 3.308 1.00 0.33 H new ATOM 0 HD22 LEU B 8 2.637 -3.963 2.750 1.00 0.33 H new ATOM 0 HD23 LEU B 8 2.294 -2.666 3.919 1.00 0.33 H new ATOM 1645 N GLU B 9 0.079 -5.953 7.067 1.00 0.37 N ATOM 1646 CA GLU B 9 -0.881 -6.930 7.545 1.00 0.40 C ATOM 1647 C GLU B 9 -2.028 -6.235 8.265 1.00 0.40 C ATOM 1648 O GLU B 9 -3.131 -6.776 8.373 1.00 0.42 O ATOM 1649 CB GLU B 9 -0.179 -7.932 8.457 1.00 0.48 C ATOM 1650 CG GLU B 9 0.925 -8.706 7.749 1.00 1.24 C ATOM 1651 CD GLU B 9 1.740 -9.577 8.685 1.00 1.72 C ATOM 1652 OE1 GLU B 9 1.189 -10.037 9.706 1.00 2.16 O ATOM 1653 OE2 GLU B 9 2.934 -9.806 8.404 1.00 2.41 O ATOM 0 H GLU B 9 0.985 -5.994 7.533 1.00 0.37 H new ATOM 0 HA GLU B 9 -1.302 -7.471 6.698 1.00 0.40 H new ATOM 0 HB2 GLU B 9 0.245 -7.403 9.311 1.00 0.48 H new ATOM 0 HB3 GLU B 9 -0.914 -8.635 8.850 1.00 0.48 H new ATOM 0 HG2 GLU B 9 0.482 -9.332 6.975 1.00 1.24 H new ATOM 0 HG3 GLU B 9 1.589 -8.002 7.248 1.00 1.24 H new ATOM 1660 N GLY B 10 -1.759 -5.024 8.739 1.00 0.41 N ATOM 1661 CA GLY B 10 -2.791 -4.216 9.346 1.00 0.43 C ATOM 1662 C GLY B 10 -3.773 -3.688 8.320 1.00 0.39 C ATOM 1663 O GLY B 10 -4.969 -3.640 8.577 1.00 0.44 O ATOM 0 H GLY B 10 -0.837 -4.588 8.712 1.00 0.41 H new ATOM 0 HA2 GLY B 10 -3.326 -4.808 10.089 1.00 0.43 H new ATOM 0 HA3 GLY B 10 -2.333 -3.380 9.874 1.00 0.43 H new ATOM 1667 N ILE B 11 -3.271 -3.295 7.152 1.00 0.34 N ATOM 1668 CA ILE B 11 -4.136 -2.827 6.071 1.00 0.33 C ATOM 1669 C ILE B 11 -4.995 -3.979 5.561 1.00 0.33 C ATOM 1670 O ILE B 11 -6.196 -3.827 5.349 1.00 0.38 O ATOM 1671 CB ILE B 11 -3.321 -2.216 4.908 1.00 0.36 C ATOM 1672 CG1 ILE B 11 -2.523 -1.012 5.409 1.00 0.41 C ATOM 1673 CG2 ILE B 11 -4.241 -1.808 3.765 1.00 0.50 C ATOM 1674 CD1 ILE B 11 -1.613 -0.400 4.369 1.00 1.16 C ATOM 0 H ILE B 11 -2.275 -3.291 6.930 1.00 0.34 H new ATOM 0 HA ILE B 11 -4.777 -2.042 6.471 1.00 0.33 H new ATOM 0 HB ILE B 11 -2.627 -2.968 4.533 1.00 0.36 H new ATOM 0 HG12 ILE B 11 -3.218 -0.250 5.762 1.00 0.41 H new ATOM 0 HG13 ILE B 11 -1.923 -1.318 6.266 1.00 0.41 H new ATOM 0 HG21 ILE B 11 -3.649 -1.380 2.956 1.00 0.50 H new ATOM 0 HG22 ILE B 11 -4.777 -2.684 3.399 1.00 0.50 H new ATOM 0 HG23 ILE B 11 -4.957 -1.068 4.121 1.00 0.50 H new ATOM 0 HD11 ILE B 11 -1.083 0.448 4.803 1.00 1.16 H new ATOM 0 HD12 ILE B 11 -0.892 -1.145 4.033 1.00 1.16 H new ATOM 0 HD13 ILE B 11 -2.207 -0.061 3.520 1.00 1.16 H new ATOM 1686 N VAL B 12 -4.358 -5.127 5.372 1.00 0.33 N ATOM 1687 CA VAL B 12 -5.054 -6.378 5.111 1.00 0.38 C ATOM 1688 C VAL B 12 -6.165 -6.612 6.141 1.00 0.40 C ATOM 1689 O VAL B 12 -7.293 -6.974 5.791 1.00 0.46 O ATOM 1690 CB VAL B 12 -4.032 -7.526 5.147 1.00 0.45 C ATOM 1691 CG1 VAL B 12 -4.697 -8.886 5.219 1.00 0.57 C ATOM 1692 CG2 VAL B 12 -3.135 -7.429 3.930 1.00 0.48 C ATOM 0 H VAL B 12 -3.342 -5.216 5.396 1.00 0.33 H new ATOM 0 HA VAL B 12 -5.524 -6.333 4.128 1.00 0.38 H new ATOM 0 HB VAL B 12 -3.436 -7.425 6.054 1.00 0.45 H new ATOM 0 HG11 VAL B 12 -3.933 -9.664 5.242 1.00 0.57 H new ATOM 0 HG12 VAL B 12 -5.304 -8.947 6.122 1.00 0.57 H new ATOM 0 HG13 VAL B 12 -5.332 -9.027 4.344 1.00 0.57 H new ATOM 0 HG21 VAL B 12 -2.407 -8.240 3.949 1.00 0.48 H new ATOM 0 HG22 VAL B 12 -3.739 -7.504 3.026 1.00 0.48 H new ATOM 0 HG23 VAL B 12 -2.612 -6.473 3.939 1.00 0.48 H new ATOM 1702 N ASN B 13 -5.840 -6.375 7.405 1.00 0.42 N ATOM 1703 CA ASN B 13 -6.804 -6.516 8.491 1.00 0.49 C ATOM 1704 C ASN B 13 -7.944 -5.513 8.343 1.00 0.48 C ATOM 1705 O ASN B 13 -9.103 -5.861 8.538 1.00 0.59 O ATOM 1706 CB ASN B 13 -6.112 -6.324 9.841 1.00 0.62 C ATOM 1707 CG ASN B 13 -7.065 -6.446 11.015 1.00 0.75 C ATOM 1708 OD1 ASN B 13 -8.030 -7.211 10.978 1.00 1.31 O ATOM 1709 ND2 ASN B 13 -6.801 -5.685 12.064 1.00 1.42 N ATOM 0 H ASN B 13 -4.910 -6.082 7.706 1.00 0.42 H new ATOM 0 HA ASN B 13 -7.222 -7.521 8.444 1.00 0.49 H new ATOM 0 HB2 ASN B 13 -5.318 -7.064 9.945 1.00 0.62 H new ATOM 0 HB3 ASN B 13 -5.638 -5.343 9.865 1.00 0.62 H new ATOM 0 HD21 ASN B 13 -7.407 -5.718 12.884 1.00 1.42 H new ATOM 0 HD22 ASN B 13 -5.991 -5.065 12.053 1.00 1.42 H new ATOM 1716 N ILE B 14 -7.611 -4.273 7.992 1.00 0.48 N ATOM 1717 CA ILE B 14 -8.618 -3.227 7.808 1.00 0.57 C ATOM 1718 C ILE B 14 -9.527 -3.556 6.622 1.00 0.53 C ATOM 1719 O ILE B 14 -10.739 -3.305 6.656 1.00 0.61 O ATOM 1720 CB ILE B 14 -7.970 -1.835 7.605 1.00 0.68 C ATOM 1721 CG1 ILE B 14 -7.081 -1.476 8.802 1.00 1.33 C ATOM 1722 CG2 ILE B 14 -9.035 -0.764 7.406 1.00 1.13 C ATOM 1723 CD1 ILE B 14 -7.813 -1.469 10.131 1.00 2.06 C ATOM 0 H ILE B 14 -6.652 -3.967 7.829 1.00 0.48 H new ATOM 0 HA ILE B 14 -9.216 -3.191 8.719 1.00 0.57 H new ATOM 0 HB ILE B 14 -7.352 -1.879 6.708 1.00 0.68 H new ATOM 0 HG12 ILE B 14 -6.257 -2.187 8.856 1.00 1.33 H new ATOM 0 HG13 ILE B 14 -6.643 -0.492 8.634 1.00 1.33 H new ATOM 0 HG21 ILE B 14 -8.555 0.205 7.266 1.00 1.13 H new ATOM 0 HG22 ILE B 14 -9.632 -1.004 6.526 1.00 1.13 H new ATOM 0 HG23 ILE B 14 -9.680 -0.725 8.283 1.00 1.13 H new ATOM 0 HD11 ILE B 14 -7.117 -1.206 10.928 1.00 2.06 H new ATOM 0 HD12 ILE B 14 -8.620 -0.737 10.098 1.00 2.06 H new ATOM 0 HD13 ILE B 14 -8.228 -2.458 10.323 1.00 2.06 H new ATOM 1735 N PHE B 15 -8.940 -4.144 5.586 1.00 0.48 N ATOM 1736 CA PHE B 15 -9.695 -4.608 4.429 1.00 0.59 C ATOM 1737 C PHE B 15 -10.747 -5.628 4.857 1.00 0.61 C ATOM 1738 O PHE B 15 -11.810 -5.737 4.255 1.00 0.70 O ATOM 1739 CB PHE B 15 -8.746 -5.227 3.398 1.00 0.69 C ATOM 1740 CG PHE B 15 -9.441 -5.831 2.213 1.00 1.18 C ATOM 1741 CD1 PHE B 15 -9.958 -5.024 1.212 1.00 1.75 C ATOM 1742 CD2 PHE B 15 -9.583 -7.203 2.102 1.00 1.93 C ATOM 1743 CE1 PHE B 15 -10.601 -5.575 0.122 1.00 2.35 C ATOM 1744 CE2 PHE B 15 -10.225 -7.760 1.016 1.00 2.54 C ATOM 1745 CZ PHE B 15 -10.735 -6.945 0.025 1.00 2.58 C ATOM 0 H PHE B 15 -7.936 -4.311 5.524 1.00 0.48 H new ATOM 0 HA PHE B 15 -10.202 -3.756 3.976 1.00 0.59 H new ATOM 0 HB2 PHE B 15 -8.055 -4.460 3.049 1.00 0.69 H new ATOM 0 HB3 PHE B 15 -8.148 -5.996 3.886 1.00 0.69 H new ATOM 0 HD1 PHE B 15 -9.857 -3.951 1.286 1.00 1.75 H new ATOM 0 HD2 PHE B 15 -9.187 -7.845 2.875 1.00 1.93 H new ATOM 0 HE1 PHE B 15 -10.998 -4.936 -0.653 1.00 2.35 H new ATOM 0 HE2 PHE B 15 -10.329 -8.832 0.941 1.00 2.54 H new ATOM 0 HZ PHE B 15 -11.239 -7.380 -0.826 1.00 2.58 H new ATOM 1755 N HIS B 16 -10.427 -6.381 5.896 1.00 0.60 N ATOM 1756 CA HIS B 16 -11.359 -7.337 6.481 1.00 0.72 C ATOM 1757 C HIS B 16 -12.261 -6.640 7.511 1.00 0.75 C ATOM 1758 O HIS B 16 -13.352 -7.113 7.828 1.00 0.88 O ATOM 1759 CB HIS B 16 -10.566 -8.477 7.135 1.00 0.77 C ATOM 1760 CG HIS B 16 -11.400 -9.635 7.594 1.00 1.16 C ATOM 1761 ND1 HIS B 16 -11.610 -10.760 6.827 1.00 1.82 N ATOM 1762 CD2 HIS B 16 -12.055 -9.848 8.758 1.00 1.85 C ATOM 1763 CE1 HIS B 16 -12.358 -11.614 7.502 1.00 2.22 C ATOM 1764 NE2 HIS B 16 -12.641 -11.086 8.676 1.00 2.23 N ATOM 0 H HIS B 16 -9.518 -6.349 6.358 1.00 0.60 H new ATOM 0 HA HIS B 16 -11.998 -7.749 5.700 1.00 0.72 H new ATOM 0 HB2 HIS B 16 -9.824 -8.840 6.424 1.00 0.77 H new ATOM 0 HB3 HIS B 16 -10.020 -8.078 7.990 1.00 0.77 H new ATOM 0 HD2 HIS B 16 -12.107 -9.169 9.597 1.00 1.85 H new ATOM 0 HE1 HIS B 16 -12.683 -12.582 7.151 1.00 2.22 H new ATOM 0 HE2 HIS B 16 -13.204 -11.526 9.404 1.00 2.23 H new ATOM 1773 N GLN B 17 -11.796 -5.500 8.001 1.00 0.70 N ATOM 1774 CA GLN B 17 -12.423 -4.800 9.118 1.00 0.82 C ATOM 1775 C GLN B 17 -13.645 -3.986 8.691 1.00 0.93 C ATOM 1776 O GLN B 17 -14.469 -3.629 9.539 1.00 1.18 O ATOM 1777 CB GLN B 17 -11.399 -3.875 9.783 1.00 0.85 C ATOM 1778 CG GLN B 17 -11.907 -3.163 11.026 1.00 1.27 C ATOM 1779 CD GLN B 17 -12.226 -4.113 12.160 1.00 1.99 C ATOM 1780 OE1 GLN B 17 -11.370 -4.413 12.989 1.00 2.60 O ATOM 1781 NE2 GLN B 17 -13.461 -4.585 12.208 1.00 2.77 N ATOM 0 H GLN B 17 -10.968 -5.030 7.634 1.00 0.70 H new ATOM 0 HA GLN B 17 -12.768 -5.557 9.822 1.00 0.82 H new ATOM 0 HB2 GLN B 17 -10.519 -4.460 10.049 1.00 0.85 H new ATOM 0 HB3 GLN B 17 -11.078 -3.128 9.057 1.00 0.85 H new ATOM 0 HG2 GLN B 17 -11.157 -2.446 11.360 1.00 1.27 H new ATOM 0 HG3 GLN B 17 -12.802 -2.594 10.773 1.00 1.27 H new ATOM 0 HE21 GLN B 17 -14.140 -4.309 11.499 1.00 2.77 H new ATOM 0 HE22 GLN B 17 -13.734 -5.224 12.954 1.00 2.77 H new ATOM 1955 N LEU B 28 -16.416 -6.484 -3.296 1.00 1.15 N ATOM 1956 CA LEU B 28 -15.865 -5.228 -2.772 1.00 0.90 C ATOM 1957 C LEU B 28 -16.195 -4.054 -3.692 1.00 0.71 C ATOM 1958 O LEU B 28 -15.404 -3.676 -4.553 1.00 0.76 O ATOM 1959 CB LEU B 28 -14.345 -5.314 -2.559 1.00 1.66 C ATOM 1960 CG LEU B 28 -13.873 -6.097 -1.325 1.00 2.02 C ATOM 1961 CD1 LEU B 28 -14.598 -5.629 -0.071 1.00 2.91 C ATOM 1962 CD2 LEU B 28 -14.048 -7.595 -1.520 1.00 2.37 C ATOM 0 HA LEU B 28 -16.334 -5.059 -1.803 1.00 0.90 H new ATOM 0 HB2 LEU B 28 -13.901 -5.770 -3.444 1.00 1.66 H new ATOM 0 HB3 LEU B 28 -13.951 -4.300 -2.492 1.00 1.66 H new ATOM 0 HG LEU B 28 -12.809 -5.898 -1.197 1.00 2.02 H new ATOM 0 HD11 LEU B 28 -14.245 -6.200 0.788 1.00 2.91 H new ATOM 0 HD12 LEU B 28 -14.399 -4.570 0.091 1.00 2.91 H new ATOM 0 HD13 LEU B 28 -15.670 -5.782 -0.192 1.00 2.91 H new ATOM 0 HD21 LEU B 28 -13.705 -8.120 -0.629 1.00 2.37 H new ATOM 0 HD22 LEU B 28 -15.101 -7.819 -1.690 1.00 2.37 H new ATOM 0 HD23 LEU B 28 -13.464 -7.921 -2.381 1.00 2.37 H new ATOM 1974 N SER B 29 -17.360 -3.475 -3.505 1.00 0.61 N ATOM 1975 CA SER B 29 -17.795 -2.380 -4.349 1.00 0.48 C ATOM 1976 C SER B 29 -17.515 -1.032 -3.690 1.00 0.44 C ATOM 1977 O SER B 29 -16.841 -0.973 -2.657 1.00 0.53 O ATOM 1978 CB SER B 29 -19.274 -2.521 -4.679 1.00 0.55 C ATOM 1979 OG SER B 29 -19.554 -3.807 -5.205 1.00 1.35 O ATOM 0 H SER B 29 -18.024 -3.742 -2.778 1.00 0.61 H new ATOM 0 HA SER B 29 -17.226 -2.421 -5.278 1.00 0.48 H new ATOM 0 HB2 SER B 29 -19.869 -2.354 -3.781 1.00 0.55 H new ATOM 0 HB3 SER B 29 -19.564 -1.757 -5.401 1.00 0.55 H new ATOM 0 HG SER B 29 -19.253 -3.852 -6.137 1.00 1.35 H new ATOM 1985 N LYS B 30 -18.016 0.051 -4.277 1.00 0.38 N ATOM 1986 CA LYS B 30 -17.729 1.380 -3.755 1.00 0.36 C ATOM 1987 C LYS B 30 -18.349 1.563 -2.377 1.00 0.36 C ATOM 1988 O LYS B 30 -17.867 2.356 -1.593 1.00 0.37 O ATOM 1989 CB LYS B 30 -18.233 2.482 -4.690 1.00 0.39 C ATOM 1990 CG LYS B 30 -17.524 3.816 -4.475 1.00 0.41 C ATOM 1991 CD LYS B 30 -18.308 4.993 -5.044 1.00 0.50 C ATOM 1992 CE LYS B 30 -18.708 4.762 -6.490 1.00 0.52 C ATOM 1993 NZ LYS B 30 -19.375 5.939 -7.104 1.00 1.32 N ATOM 0 H LYS B 30 -18.614 0.035 -5.103 1.00 0.38 H new ATOM 0 HA LYS B 30 -16.645 1.464 -3.681 1.00 0.36 H new ATOM 0 HB2 LYS B 30 -18.094 2.165 -5.724 1.00 0.39 H new ATOM 0 HB3 LYS B 30 -19.304 2.617 -4.539 1.00 0.39 H new ATOM 0 HG2 LYS B 30 -17.365 3.971 -3.408 1.00 0.41 H new ATOM 0 HG3 LYS B 30 -16.540 3.780 -4.942 1.00 0.41 H new ATOM 0 HD2 LYS B 30 -19.202 5.158 -4.442 1.00 0.50 H new ATOM 0 HD3 LYS B 30 -17.705 5.898 -4.975 1.00 0.50 H new ATOM 0 HE2 LYS B 30 -17.821 4.511 -7.071 1.00 0.52 H new ATOM 0 HE3 LYS B 30 -19.377 3.903 -6.543 1.00 0.52 H new ATOM 0 HZ1 LYS B 30 -19.321 5.867 -8.140 1.00 1.32 H new ATOM 0 HZ2 LYS B 30 -20.372 5.965 -6.810 1.00 1.32 H new ATOM 0 HZ3 LYS B 30 -18.899 6.810 -6.792 1.00 1.32 H new ATOM 2007 N GLY B 31 -19.411 0.819 -2.090 1.00 0.39 N ATOM 2008 CA GLY B 31 -20.065 0.919 -0.795 1.00 0.40 C ATOM 2009 C GLY B 31 -19.123 0.646 0.357 1.00 0.38 C ATOM 2010 O GLY B 31 -19.011 1.443 1.292 1.00 0.39 O ATOM 0 H GLY B 31 -19.833 0.147 -2.731 1.00 0.39 H new ATOM 0 HA2 GLY B 31 -20.490 1.917 -0.683 1.00 0.40 H new ATOM 0 HA3 GLY B 31 -20.895 0.213 -0.756 1.00 0.40 H new ATOM 2014 N GLU B 32 -18.447 -0.483 0.273 1.00 0.44 N ATOM 2015 CA GLU B 32 -17.535 -0.927 1.312 1.00 0.50 C ATOM 2016 C GLU B 32 -16.321 -0.019 1.400 1.00 0.42 C ATOM 2017 O GLU B 32 -15.876 0.348 2.490 1.00 0.44 O ATOM 2018 CB GLU B 32 -17.096 -2.358 1.024 1.00 0.67 C ATOM 2019 CG GLU B 32 -18.270 -3.310 0.835 1.00 0.96 C ATOM 2020 CD GLU B 32 -18.686 -3.476 -0.612 1.00 1.58 C ATOM 2021 OE1 GLU B 32 -19.279 -2.535 -1.182 1.00 2.10 O ATOM 2022 OE2 GLU B 32 -18.432 -4.554 -1.189 1.00 2.43 O ATOM 0 H GLU B 32 -18.514 -1.121 -0.520 1.00 0.44 H new ATOM 0 HA GLU B 32 -18.055 -0.887 2.269 1.00 0.50 H new ATOM 0 HB2 GLU B 32 -16.477 -2.369 0.127 1.00 0.67 H new ATOM 0 HB3 GLU B 32 -16.474 -2.714 1.845 1.00 0.67 H new ATOM 0 HG2 GLU B 32 -18.006 -4.286 1.243 1.00 0.96 H new ATOM 0 HG3 GLU B 32 -19.121 -2.944 1.410 1.00 0.96 H new ATOM 2029 N LEU B 33 -15.798 0.343 0.242 1.00 0.38 N ATOM 2030 CA LEU B 33 -14.641 1.210 0.160 1.00 0.34 C ATOM 2031 C LEU B 33 -14.980 2.585 0.726 1.00 0.30 C ATOM 2032 O LEU B 33 -14.232 3.137 1.516 1.00 0.32 O ATOM 2033 CB LEU B 33 -14.204 1.322 -1.294 1.00 0.34 C ATOM 2034 CG LEU B 33 -12.816 1.922 -1.517 1.00 0.39 C ATOM 2035 CD1 LEU B 33 -11.748 1.053 -0.868 1.00 0.52 C ATOM 2036 CD2 LEU B 33 -12.538 2.082 -3.001 1.00 0.46 C ATOM 0 H LEU B 33 -16.163 0.045 -0.663 1.00 0.38 H new ATOM 0 HA LEU B 33 -13.824 0.791 0.747 1.00 0.34 H new ATOM 0 HB2 LEU B 33 -14.227 0.328 -1.740 1.00 0.34 H new ATOM 0 HB3 LEU B 33 -14.934 1.929 -1.829 1.00 0.34 H new ATOM 0 HG LEU B 33 -12.789 2.907 -1.052 1.00 0.39 H new ATOM 0 HD11 LEU B 33 -10.766 1.496 -1.037 1.00 0.52 H new ATOM 0 HD12 LEU B 33 -11.936 0.985 0.204 1.00 0.52 H new ATOM 0 HD13 LEU B 33 -11.776 0.055 -1.305 1.00 0.52 H new ATOM 0 HD21 LEU B 33 -11.546 2.510 -3.141 1.00 0.46 H new ATOM 0 HD22 LEU B 33 -12.584 1.107 -3.487 1.00 0.46 H new ATOM 0 HD23 LEU B 33 -13.284 2.743 -3.442 1.00 0.46 H new ATOM 2048 N LYS B 34 -16.132 3.105 0.324 1.00 0.29 N ATOM 2049 CA LYS B 34 -16.652 4.379 0.812 1.00 0.31 C ATOM 2050 C LYS B 34 -16.693 4.398 2.335 1.00 0.35 C ATOM 2051 O LYS B 34 -16.268 5.368 2.962 1.00 0.41 O ATOM 2052 CB LYS B 34 -18.050 4.600 0.218 1.00 0.34 C ATOM 2053 CG LYS B 34 -18.993 5.475 1.037 1.00 0.53 C ATOM 2054 CD LYS B 34 -18.743 6.956 0.820 1.00 0.85 C ATOM 2055 CE LYS B 34 -19.802 7.806 1.504 1.00 1.30 C ATOM 2056 NZ LYS B 34 -19.787 7.639 2.980 1.00 1.87 N ATOM 0 H LYS B 34 -16.740 2.650 -0.358 1.00 0.29 H new ATOM 0 HA LYS B 34 -15.994 5.189 0.497 1.00 0.31 H new ATOM 0 HB2 LYS B 34 -17.937 5.047 -0.770 1.00 0.34 H new ATOM 0 HB3 LYS B 34 -18.521 3.627 0.075 1.00 0.34 H new ATOM 0 HG2 LYS B 34 -20.024 5.241 0.772 1.00 0.53 H new ATOM 0 HG3 LYS B 34 -18.875 5.241 2.095 1.00 0.53 H new ATOM 0 HD2 LYS B 34 -17.758 7.220 1.205 1.00 0.85 H new ATOM 0 HD3 LYS B 34 -18.736 7.172 -0.248 1.00 0.85 H new ATOM 0 HE2 LYS B 34 -19.639 8.855 1.257 1.00 1.30 H new ATOM 0 HE3 LYS B 34 -20.786 7.537 1.119 1.00 1.30 H new ATOM 0 HZ1 LYS B 34 -20.454 8.310 3.412 1.00 1.87 H new ATOM 0 HZ2 LYS B 34 -20.068 6.667 3.222 1.00 1.87 H new ATOM 0 HZ3 LYS B 34 -18.829 7.822 3.340 1.00 1.87 H new ATOM 2070 N GLN B 35 -17.192 3.314 2.914 1.00 0.36 N ATOM 2071 CA GLN B 35 -17.227 3.149 4.355 1.00 0.43 C ATOM 2072 C GLN B 35 -15.819 3.216 4.927 1.00 0.43 C ATOM 2073 O GLN B 35 -15.507 4.118 5.696 1.00 0.50 O ATOM 2074 CB GLN B 35 -17.903 1.819 4.695 1.00 0.50 C ATOM 2075 CG GLN B 35 -17.839 1.450 6.162 1.00 1.07 C ATOM 2076 CD GLN B 35 -18.665 0.224 6.486 1.00 1.67 C ATOM 2077 OE1 GLN B 35 -18.850 -0.655 5.648 1.00 2.45 O ATOM 2078 NE2 GLN B 35 -19.177 0.160 7.702 1.00 2.06 N ATOM 0 H GLN B 35 -17.583 2.527 2.396 1.00 0.36 H new ATOM 0 HA GLN B 35 -17.804 3.957 4.804 1.00 0.43 H new ATOM 0 HB2 GLN B 35 -18.948 1.866 4.389 1.00 0.50 H new ATOM 0 HB3 GLN B 35 -17.435 1.026 4.111 1.00 0.50 H new ATOM 0 HG2 GLN B 35 -16.801 1.270 6.444 1.00 1.07 H new ATOM 0 HG3 GLN B 35 -18.191 2.290 6.761 1.00 1.07 H new ATOM 0 HE21 GLN B 35 -19.000 0.910 8.370 1.00 2.06 H new ATOM 0 HE22 GLN B 35 -19.749 -0.640 7.973 1.00 2.06 H new ATOM 2087 N LEU B 36 -14.968 2.293 4.501 1.00 0.38 N ATOM 2088 CA LEU B 36 -13.607 2.192 5.002 1.00 0.39 C ATOM 2089 C LEU B 36 -12.865 3.521 4.871 1.00 0.38 C ATOM 2090 O LEU B 36 -12.210 3.968 5.797 1.00 0.45 O ATOM 2091 CB LEU B 36 -12.883 1.083 4.232 1.00 0.37 C ATOM 2092 CG LEU B 36 -11.479 0.720 4.714 1.00 0.40 C ATOM 2093 CD1 LEU B 36 -11.192 -0.737 4.404 1.00 0.45 C ATOM 2094 CD2 LEU B 36 -10.436 1.603 4.051 1.00 0.40 C ATOM 0 H LEU B 36 -15.203 1.593 3.797 1.00 0.38 H new ATOM 0 HA LEU B 36 -13.632 1.947 6.064 1.00 0.39 H new ATOM 0 HB2 LEU B 36 -13.499 0.184 4.269 1.00 0.37 H new ATOM 0 HB3 LEU B 36 -12.817 1.382 3.186 1.00 0.37 H new ATOM 0 HG LEU B 36 -11.431 0.879 5.791 1.00 0.40 H new ATOM 0 HD11 LEU B 36 -10.190 -0.992 4.749 1.00 0.45 H new ATOM 0 HD12 LEU B 36 -11.922 -1.368 4.911 1.00 0.45 H new ATOM 0 HD13 LEU B 36 -11.257 -0.900 3.328 1.00 0.45 H new ATOM 0 HD21 LEU B 36 -9.444 1.327 4.409 1.00 0.40 H new ATOM 0 HD22 LEU B 36 -10.481 1.471 2.970 1.00 0.40 H new ATOM 0 HD23 LEU B 36 -10.633 2.646 4.297 1.00 0.40 H new ATOM 2106 N LEU B 37 -12.995 4.159 3.728 1.00 0.34 N ATOM 2107 CA LEU B 37 -12.258 5.380 3.444 1.00 0.35 C ATOM 2108 C LEU B 37 -12.695 6.542 4.329 1.00 0.41 C ATOM 2109 O LEU B 37 -11.860 7.200 4.950 1.00 0.45 O ATOM 2110 CB LEU B 37 -12.427 5.753 1.977 1.00 0.34 C ATOM 2111 CG LEU B 37 -11.866 4.731 0.990 1.00 0.30 C ATOM 2112 CD1 LEU B 37 -12.162 5.148 -0.440 1.00 0.38 C ATOM 2113 CD2 LEU B 37 -10.375 4.552 1.205 1.00 0.32 C ATOM 0 H LEU B 37 -13.608 3.853 2.973 1.00 0.34 H new ATOM 0 HA LEU B 37 -11.208 5.186 3.662 1.00 0.35 H new ATOM 0 HB2 LEU B 37 -13.488 5.892 1.771 1.00 0.34 H new ATOM 0 HB3 LEU B 37 -11.940 6.712 1.802 1.00 0.34 H new ATOM 0 HG LEU B 37 -12.354 3.773 1.168 1.00 0.30 H new ATOM 0 HD11 LEU B 37 -11.754 4.407 -1.127 1.00 0.38 H new ATOM 0 HD12 LEU B 37 -13.240 5.220 -0.582 1.00 0.38 H new ATOM 0 HD13 LEU B 37 -11.704 6.117 -0.638 1.00 0.38 H new ATOM 0 HD21 LEU B 37 -9.990 3.821 0.494 1.00 0.32 H new ATOM 0 HD22 LEU B 37 -9.869 5.505 1.055 1.00 0.32 H new ATOM 0 HD23 LEU B 37 -10.193 4.201 2.221 1.00 0.32 H new ATOM 2125 N THR B 38 -13.997 6.780 4.398 1.00 0.45 N ATOM 2126 CA THR B 38 -14.530 7.933 5.110 1.00 0.53 C ATOM 2127 C THR B 38 -14.237 7.843 6.611 1.00 0.59 C ATOM 2128 O THR B 38 -14.101 8.861 7.289 1.00 0.67 O ATOM 2129 CB THR B 38 -16.055 8.082 4.863 1.00 0.56 C ATOM 2130 OG1 THR B 38 -16.531 9.341 5.349 1.00 1.23 O ATOM 2131 CG2 THR B 38 -16.847 6.965 5.526 1.00 1.03 C ATOM 0 H THR B 38 -14.707 6.187 3.968 1.00 0.45 H new ATOM 0 HA THR B 38 -14.030 8.820 4.720 1.00 0.53 H new ATOM 0 HB THR B 38 -16.204 8.025 3.785 1.00 0.56 H new ATOM 0 HG1 THR B 38 -17.494 9.414 5.181 1.00 1.23 H new ATOM 0 HG21 THR B 38 -17.910 7.106 5.329 1.00 1.03 H new ATOM 0 HG22 THR B 38 -16.528 6.004 5.123 1.00 1.03 H new ATOM 0 HG23 THR B 38 -16.672 6.984 6.602 1.00 1.03 H new ATOM 2139 N LYS B 39 -14.137 6.625 7.128 1.00 0.58 N ATOM 2140 CA LYS B 39 -13.894 6.440 8.550 1.00 0.67 C ATOM 2141 C LYS B 39 -12.418 6.210 8.866 1.00 0.65 C ATOM 2142 O LYS B 39 -11.901 6.768 9.828 1.00 0.72 O ATOM 2143 CB LYS B 39 -14.745 5.299 9.114 1.00 0.72 C ATOM 2144 CG LYS B 39 -14.586 3.988 8.382 1.00 0.68 C ATOM 2145 CD LYS B 39 -15.782 3.088 8.622 1.00 0.74 C ATOM 2146 CE LYS B 39 -15.602 2.207 9.852 1.00 0.87 C ATOM 2147 NZ LYS B 39 -14.936 2.907 10.986 1.00 1.62 N ATOM 0 H LYS B 39 -14.219 5.762 6.591 1.00 0.58 H new ATOM 0 HA LYS B 39 -14.189 7.370 9.037 1.00 0.67 H new ATOM 0 HB2 LYS B 39 -14.485 5.151 10.162 1.00 0.72 H new ATOM 0 HB3 LYS B 39 -15.794 5.594 9.084 1.00 0.72 H new ATOM 0 HG2 LYS B 39 -14.474 4.174 7.314 1.00 0.68 H new ATOM 0 HG3 LYS B 39 -13.677 3.488 8.716 1.00 0.68 H new ATOM 0 HD2 LYS B 39 -16.676 3.699 8.743 1.00 0.74 H new ATOM 0 HD3 LYS B 39 -15.942 2.459 7.747 1.00 0.74 H new ATOM 0 HE2 LYS B 39 -16.578 1.848 10.179 1.00 0.87 H new ATOM 0 HE3 LYS B 39 -15.014 1.330 9.580 1.00 0.87 H new ATOM 0 HZ1 LYS B 39 -14.874 2.265 11.802 1.00 1.62 H new ATOM 0 HZ2 LYS B 39 -13.979 3.198 10.701 1.00 1.62 H new ATOM 0 HZ3 LYS B 39 -15.489 3.748 11.248 1.00 1.62 H new ATOM 2161 N GLU B 40 -11.738 5.410 8.053 1.00 0.57 N ATOM 2162 CA GLU B 40 -10.401 4.935 8.402 1.00 0.58 C ATOM 2163 C GLU B 40 -9.319 5.867 7.862 1.00 0.56 C ATOM 2164 O GLU B 40 -8.326 6.136 8.533 1.00 0.64 O ATOM 2165 CB GLU B 40 -10.184 3.507 7.874 1.00 0.58 C ATOM 2166 CG GLU B 40 -11.181 2.482 8.405 1.00 0.88 C ATOM 2167 CD GLU B 40 -11.339 2.510 9.916 1.00 1.14 C ATOM 2168 OE1 GLU B 40 -10.494 1.923 10.623 1.00 1.67 O ATOM 2169 OE2 GLU B 40 -12.322 3.109 10.405 1.00 1.63 O ATOM 0 H GLU B 40 -12.086 5.078 7.154 1.00 0.57 H new ATOM 0 HA GLU B 40 -10.325 4.927 9.489 1.00 0.58 H new ATOM 0 HB2 GLU B 40 -10.242 3.522 6.786 1.00 0.58 H new ATOM 0 HB3 GLU B 40 -9.176 3.185 8.135 1.00 0.58 H new ATOM 0 HG2 GLU B 40 -12.152 2.660 7.944 1.00 0.88 H new ATOM 0 HG3 GLU B 40 -10.861 1.485 8.100 1.00 0.88 H new ATOM 2176 N LEU B 41 -9.526 6.372 6.655 1.00 0.50 N ATOM 2177 CA LEU B 41 -8.531 7.214 5.993 1.00 0.49 C ATOM 2178 C LEU B 41 -8.970 8.670 6.031 1.00 0.53 C ATOM 2179 O LEU B 41 -8.498 9.499 5.244 1.00 0.53 O ATOM 2180 CB LEU B 41 -8.318 6.772 4.537 1.00 0.43 C ATOM 2181 CG LEU B 41 -7.538 5.465 4.329 1.00 0.51 C ATOM 2182 CD1 LEU B 41 -8.290 4.267 4.885 1.00 1.22 C ATOM 2183 CD2 LEU B 41 -7.245 5.257 2.854 1.00 1.42 C ATOM 0 H LEU B 41 -10.374 6.215 6.110 1.00 0.50 H new ATOM 0 HA LEU B 41 -7.587 7.108 6.527 1.00 0.49 H new ATOM 0 HB2 LEU B 41 -9.295 6.666 4.065 1.00 0.43 H new ATOM 0 HB3 LEU B 41 -7.795 7.570 4.010 1.00 0.43 H new ATOM 0 HG LEU B 41 -6.598 5.551 4.875 1.00 0.51 H new ATOM 0 HD11 LEU B 41 -7.706 3.362 4.719 1.00 1.22 H new ATOM 0 HD12 LEU B 41 -8.452 4.403 5.954 1.00 1.22 H new ATOM 0 HD13 LEU B 41 -9.252 4.176 4.381 1.00 1.22 H new ATOM 0 HD21 LEU B 41 -6.692 4.327 2.720 1.00 1.42 H new ATOM 0 HD22 LEU B 41 -8.183 5.204 2.301 1.00 1.42 H new ATOM 0 HD23 LEU B 41 -6.650 6.090 2.480 1.00 1.42 H new ATOM 2195 N ALA B 42 -9.860 8.960 6.973 1.00 0.58 N ATOM 2196 CA ALA B 42 -10.523 10.258 7.083 1.00 0.64 C ATOM 2197 C ALA B 42 -9.549 11.436 7.047 1.00 0.71 C ATOM 2198 O ALA B 42 -9.765 12.404 6.319 1.00 0.78 O ATOM 2199 CB ALA B 42 -11.344 10.303 8.360 1.00 0.71 C ATOM 0 H ALA B 42 -10.146 8.294 7.691 1.00 0.58 H new ATOM 0 HA ALA B 42 -11.169 10.361 6.211 1.00 0.64 H new ATOM 0 HB1 ALA B 42 -11.838 11.271 8.441 1.00 0.71 H new ATOM 0 HB2 ALA B 42 -12.095 9.513 8.338 1.00 0.71 H new ATOM 0 HB3 ALA B 42 -10.689 10.157 9.219 1.00 0.71 H new ATOM 2205 N ASN B 43 -8.482 11.352 7.820 1.00 0.74 N ATOM 2206 CA ASN B 43 -7.559 12.470 7.955 1.00 0.83 C ATOM 2207 C ASN B 43 -6.240 12.170 7.243 1.00 0.83 C ATOM 2208 O ASN B 43 -5.179 12.658 7.626 1.00 1.07 O ATOM 2209 CB ASN B 43 -7.330 12.771 9.444 1.00 1.00 C ATOM 2210 CG ASN B 43 -6.688 14.127 9.700 1.00 1.28 C ATOM 2211 OD1 ASN B 43 -5.467 14.248 9.800 1.00 1.56 O ATOM 2212 ND2 ASN B 43 -7.509 15.155 9.827 1.00 2.16 N ATOM 0 H ASN B 43 -8.231 10.526 8.363 1.00 0.74 H new ATOM 0 HA ASN B 43 -7.993 13.352 7.484 1.00 0.83 H new ATOM 0 HB2 ASN B 43 -8.286 12.727 9.966 1.00 1.00 H new ATOM 0 HB3 ASN B 43 -6.697 11.993 9.870 1.00 1.00 H new ATOM 0 HD21 ASN B 43 -7.136 16.086 10.014 1.00 2.16 H new ATOM 0 HD22 ASN B 43 -8.516 15.018 9.738 1.00 2.16 H new ATOM 2219 N THR B 44 -6.308 11.364 6.195 1.00 0.65 N ATOM 2220 CA THR B 44 -5.124 11.040 5.416 1.00 0.61 C ATOM 2221 C THR B 44 -5.286 11.522 3.981 1.00 0.59 C ATOM 2222 O THR B 44 -4.488 12.315 3.485 1.00 0.66 O ATOM 2223 CB THR B 44 -4.853 9.524 5.426 1.00 0.55 C ATOM 2224 OG1 THR B 44 -4.765 9.062 6.784 1.00 0.65 O ATOM 2225 CG2 THR B 44 -3.561 9.189 4.691 1.00 0.52 C ATOM 0 H THR B 44 -7.167 10.924 5.865 1.00 0.65 H new ATOM 0 HA THR B 44 -4.274 11.548 5.873 1.00 0.61 H new ATOM 0 HB THR B 44 -5.676 9.026 4.914 1.00 0.55 H new ATOM 0 HG1 THR B 44 -3.972 9.450 7.211 1.00 0.65 H new ATOM 0 HG21 THR B 44 -3.397 8.112 4.715 1.00 0.52 H new ATOM 0 HG22 THR B 44 -3.635 9.521 3.656 1.00 0.52 H new ATOM 0 HG23 THR B 44 -2.725 9.694 5.176 1.00 0.52 H new ATOM 2233 N ILE B 45 -6.343 11.062 3.332 1.00 0.52 N ATOM 2234 CA ILE B 45 -6.605 11.423 1.948 1.00 0.51 C ATOM 2235 C ILE B 45 -7.458 12.689 1.888 1.00 0.59 C ATOM 2236 O ILE B 45 -8.406 12.839 2.663 1.00 0.60 O ATOM 2237 CB ILE B 45 -7.316 10.271 1.205 1.00 0.43 C ATOM 2238 CG1 ILE B 45 -6.433 9.017 1.183 1.00 0.39 C ATOM 2239 CG2 ILE B 45 -7.683 10.690 -0.216 1.00 0.47 C ATOM 2240 CD1 ILE B 45 -7.040 7.861 0.414 1.00 0.35 C ATOM 0 H ILE B 45 -7.036 10.436 3.743 1.00 0.52 H new ATOM 0 HA ILE B 45 -5.650 11.612 1.457 1.00 0.51 H new ATOM 0 HB ILE B 45 -8.235 10.036 1.741 1.00 0.43 H new ATOM 0 HG12 ILE B 45 -5.469 9.269 0.742 1.00 0.39 H new ATOM 0 HG13 ILE B 45 -6.241 8.700 2.208 1.00 0.39 H new ATOM 0 HG21 ILE B 45 -8.183 9.864 -0.721 1.00 0.47 H new ATOM 0 HG22 ILE B 45 -8.351 11.551 -0.181 1.00 0.47 H new ATOM 0 HG23 ILE B 45 -6.778 10.955 -0.762 1.00 0.47 H new ATOM 0 HD11 ILE B 45 -6.360 7.009 0.441 1.00 0.35 H new ATOM 0 HD12 ILE B 45 -7.991 7.581 0.868 1.00 0.35 H new ATOM 0 HD13 ILE B 45 -7.206 8.160 -0.621 1.00 0.35 H new ATOM 2252 N LYS B 46 -7.097 13.609 0.988 1.00 0.67 N ATOM 2253 CA LYS B 46 -7.823 14.863 0.837 1.00 0.74 C ATOM 2254 C LYS B 46 -9.282 14.609 0.534 1.00 0.68 C ATOM 2255 O LYS B 46 -9.612 13.868 -0.392 1.00 0.63 O ATOM 2256 CB LYS B 46 -7.211 15.736 -0.270 1.00 0.82 C ATOM 2257 CG LYS B 46 -7.462 15.266 -1.694 1.00 0.79 C ATOM 2258 CD LYS B 46 -8.640 16.006 -2.317 1.00 0.75 C ATOM 2259 CE LYS B 46 -8.763 15.692 -3.796 1.00 0.88 C ATOM 2260 NZ LYS B 46 -7.530 16.045 -4.551 1.00 1.61 N ATOM 0 H LYS B 46 -6.304 13.504 0.355 1.00 0.67 H new ATOM 0 HA LYS B 46 -7.743 15.397 1.784 1.00 0.74 H new ATOM 0 HB2 LYS B 46 -7.602 16.748 -0.167 1.00 0.82 H new ATOM 0 HB3 LYS B 46 -6.134 15.792 -0.110 1.00 0.82 H new ATOM 0 HG2 LYS B 46 -6.568 15.427 -2.296 1.00 0.79 H new ATOM 0 HG3 LYS B 46 -7.659 14.194 -1.697 1.00 0.79 H new ATOM 0 HD2 LYS B 46 -9.561 15.726 -1.805 1.00 0.75 H new ATOM 0 HD3 LYS B 46 -8.512 17.080 -2.180 1.00 0.75 H new ATOM 0 HE2 LYS B 46 -8.974 14.630 -3.924 1.00 0.88 H new ATOM 0 HE3 LYS B 46 -9.610 16.237 -4.212 1.00 0.88 H new ATOM 0 HZ1 LYS B 46 -7.730 16.023 -5.571 1.00 1.61 H new ATOM 0 HZ2 LYS B 46 -7.218 16.999 -4.279 1.00 1.61 H new ATOM 0 HZ3 LYS B 46 -6.780 15.359 -4.331 1.00 1.61 H new ATOM 2274 N ASN B 47 -10.146 15.205 1.343 1.00 0.71 N ATOM 2275 CA ASN B 47 -11.580 15.147 1.116 1.00 0.67 C ATOM 2276 C ASN B 47 -12.038 13.717 0.883 1.00 0.59 C ATOM 2277 O ASN B 47 -12.930 13.475 0.079 1.00 0.57 O ATOM 2278 CB ASN B 47 -11.978 16.004 -0.089 1.00 0.69 C ATOM 2279 CG ASN B 47 -11.949 17.501 0.172 1.00 0.92 C ATOM 2280 OD1 ASN B 47 -11.031 17.956 1.009 1.00 1.48 O flip ATOM 2281 ND2 ASN B 47 -12.746 18.250 -0.394 1.00 1.24 N flip ATOM 0 H ASN B 47 -9.874 15.738 2.169 1.00 0.71 H new ATOM 0 HA ASN B 47 -12.066 15.537 2.011 1.00 0.67 H new ATOM 0 HB2 ASN B 47 -11.307 15.778 -0.918 1.00 0.69 H new ATOM 0 HB3 ASN B 47 -12.982 15.721 -0.405 1.00 0.69 H new ATOM 0 HD21 ASN B 47 -13.441 17.865 -1.034 1.00 1.24 H new ATOM 0 HD22 ASN B 47 -12.711 19.255 -0.223 1.00 1.24 H new ATOM 2288 N ILE B 48 -11.425 12.770 1.590 1.00 0.56 N ATOM 2289 CA ILE B 48 -11.776 11.357 1.452 1.00 0.48 C ATOM 2290 C ILE B 48 -13.223 11.138 1.890 1.00 0.48 C ATOM 2291 O ILE B 48 -13.797 10.061 1.748 1.00 0.44 O ATOM 2292 CB ILE B 48 -10.842 10.464 2.289 1.00 0.46 C ATOM 2293 CG1 ILE B 48 -11.026 8.986 1.924 1.00 0.40 C ATOM 2294 CG2 ILE B 48 -11.091 10.676 3.771 1.00 0.52 C ATOM 2295 CD1 ILE B 48 -10.739 8.677 0.469 1.00 0.38 C ATOM 0 H ILE B 48 -10.683 12.955 2.265 1.00 0.56 H new ATOM 0 HA ILE B 48 -11.662 11.082 0.404 1.00 0.48 H new ATOM 0 HB ILE B 48 -9.813 10.746 2.064 1.00 0.46 H new ATOM 0 HG12 ILE B 48 -10.370 8.382 2.551 1.00 0.40 H new ATOM 0 HG13 ILE B 48 -12.049 8.689 2.154 1.00 0.40 H new ATOM 0 HG21 ILE B 48 -10.422 10.037 4.347 1.00 0.52 H new ATOM 0 HG22 ILE B 48 -10.905 11.719 4.026 1.00 0.52 H new ATOM 0 HG23 ILE B 48 -12.125 10.424 4.006 1.00 0.52 H new ATOM 0 HD11 ILE B 48 -10.890 7.613 0.286 1.00 0.38 H new ATOM 0 HD12 ILE B 48 -11.413 9.253 -0.165 1.00 0.38 H new ATOM 0 HD13 ILE B 48 -9.707 8.942 0.237 1.00 0.38 H new ATOM 2307 N LYS B 49 -13.795 12.197 2.421 1.00 0.56 N ATOM 2308 CA LYS B 49 -15.157 12.197 2.895 1.00 0.57 C ATOM 2309 C LYS B 49 -16.099 12.495 1.741 1.00 0.55 C ATOM 2310 O LYS B 49 -17.313 12.314 1.847 1.00 0.56 O ATOM 2311 CB LYS B 49 -15.305 13.251 3.985 1.00 0.66 C ATOM 2312 CG LYS B 49 -14.238 13.138 5.060 1.00 0.73 C ATOM 2313 CD LYS B 49 -14.275 11.784 5.749 1.00 0.72 C ATOM 2314 CE LYS B 49 -15.413 11.685 6.752 1.00 0.83 C ATOM 2315 NZ LYS B 49 -15.270 12.653 7.870 1.00 1.11 N ATOM 0 H LYS B 49 -13.319 13.092 2.536 1.00 0.56 H new ATOM 0 HA LYS B 49 -15.407 11.219 3.306 1.00 0.57 H new ATOM 0 HB2 LYS B 49 -15.257 14.242 3.535 1.00 0.66 H new ATOM 0 HB3 LYS B 49 -16.289 13.157 4.444 1.00 0.66 H new ATOM 0 HG2 LYS B 49 -13.255 13.293 4.615 1.00 0.73 H new ATOM 0 HG3 LYS B 49 -14.381 13.926 5.799 1.00 0.73 H new ATOM 0 HD2 LYS B 49 -14.383 10.999 5.000 1.00 0.72 H new ATOM 0 HD3 LYS B 49 -13.327 11.611 6.258 1.00 0.72 H new ATOM 0 HE2 LYS B 49 -16.360 11.861 6.241 1.00 0.83 H new ATOM 0 HE3 LYS B 49 -15.452 10.673 7.154 1.00 0.83 H new ATOM 0 HZ1 LYS B 49 -15.332 12.148 8.777 1.00 1.11 H new ATOM 0 HZ2 LYS B 49 -14.348 13.129 7.801 1.00 1.11 H new ATOM 0 HZ3 LYS B 49 -16.030 13.361 7.815 1.00 1.11 H new ATOM 2329 N ASP B 50 -15.527 12.946 0.635 1.00 0.55 N ATOM 2330 CA ASP B 50 -16.305 13.295 -0.540 1.00 0.56 C ATOM 2331 C ASP B 50 -16.437 12.095 -1.451 1.00 0.50 C ATOM 2332 O ASP B 50 -15.447 11.450 -1.786 1.00 0.47 O ATOM 2333 CB ASP B 50 -15.647 14.437 -1.317 1.00 0.62 C ATOM 2334 CG ASP B 50 -16.660 15.293 -2.046 1.00 0.97 C ATOM 2335 OD1 ASP B 50 -17.437 14.748 -2.853 1.00 1.59 O ATOM 2336 OD2 ASP B 50 -16.677 16.522 -1.822 1.00 1.56 O ATOM 0 H ASP B 50 -14.521 13.079 0.528 1.00 0.55 H new ATOM 0 HA ASP B 50 -17.290 13.617 -0.203 1.00 0.56 H new ATOM 0 HB2 ASP B 50 -15.076 15.060 -0.629 1.00 0.62 H new ATOM 0 HB3 ASP B 50 -14.939 14.024 -2.036 1.00 0.62 H new ATOM 2341 N LYS B 51 -17.664 11.801 -1.851 1.00 0.50 N ATOM 2342 CA LYS B 51 -17.919 10.719 -2.785 1.00 0.48 C ATOM 2343 C LYS B 51 -17.296 11.021 -4.132 1.00 0.49 C ATOM 2344 O LYS B 51 -17.055 10.117 -4.917 1.00 0.48 O ATOM 2345 CB LYS B 51 -19.412 10.486 -2.959 1.00 0.53 C ATOM 2346 CG LYS B 51 -19.905 9.187 -2.336 1.00 0.83 C ATOM 2347 CD LYS B 51 -19.406 7.958 -3.093 1.00 0.60 C ATOM 2348 CE LYS B 51 -20.053 7.830 -4.470 1.00 0.83 C ATOM 2349 NZ LYS B 51 -21.538 7.800 -4.394 1.00 0.92 N ATOM 0 H LYS B 51 -18.499 12.298 -1.542 1.00 0.50 H new ATOM 0 HA LYS B 51 -17.469 9.816 -2.374 1.00 0.48 H new ATOM 0 HB2 LYS B 51 -19.955 11.320 -2.516 1.00 0.53 H new ATOM 0 HB3 LYS B 51 -19.649 10.481 -4.023 1.00 0.53 H new ATOM 0 HG2 LYS B 51 -19.571 9.134 -1.300 1.00 0.83 H new ATOM 0 HG3 LYS B 51 -20.995 9.184 -2.320 1.00 0.83 H new ATOM 0 HD2 LYS B 51 -18.323 8.017 -3.206 1.00 0.60 H new ATOM 0 HD3 LYS B 51 -19.617 7.062 -2.509 1.00 0.60 H new ATOM 0 HE2 LYS B 51 -19.740 8.666 -5.095 1.00 0.83 H new ATOM 0 HE3 LYS B 51 -19.697 6.920 -4.953 1.00 0.83 H new ATOM 0 HZ1 LYS B 51 -21.923 7.414 -5.280 1.00 0.92 H new ATOM 0 HZ2 LYS B 51 -21.833 7.199 -3.598 1.00 0.92 H new ATOM 0 HZ3 LYS B 51 -21.898 8.765 -4.251 1.00 0.92 H new ATOM 2363 N ALA B 52 -17.037 12.296 -4.392 1.00 0.55 N ATOM 2364 CA ALA B 52 -16.352 12.697 -5.608 1.00 0.60 C ATOM 2365 C ALA B 52 -14.918 12.226 -5.550 1.00 0.57 C ATOM 2366 O ALA B 52 -14.332 11.822 -6.552 1.00 0.60 O ATOM 2367 CB ALA B 52 -16.381 14.202 -5.766 1.00 0.67 C ATOM 0 H ALA B 52 -17.292 13.068 -3.776 1.00 0.55 H new ATOM 0 HA ALA B 52 -16.859 12.247 -6.462 1.00 0.60 H new ATOM 0 HB1 ALA B 52 -15.862 14.482 -6.683 1.00 0.67 H new ATOM 0 HB2 ALA B 52 -17.415 14.543 -5.815 1.00 0.67 H new ATOM 0 HB3 ALA B 52 -15.886 14.667 -4.913 1.00 0.67 H new ATOM 2373 N VAL B 53 -14.381 12.260 -4.345 1.00 0.54 N ATOM 2374 CA VAL B 53 -13.005 11.876 -4.103 1.00 0.53 C ATOM 2375 C VAL B 53 -12.907 10.369 -4.013 1.00 0.47 C ATOM 2376 O VAL B 53 -12.028 9.752 -4.605 1.00 0.48 O ATOM 2377 CB VAL B 53 -12.470 12.528 -2.809 1.00 0.53 C ATOM 2378 CG1 VAL B 53 -11.191 11.861 -2.317 1.00 0.51 C ATOM 2379 CG2 VAL B 53 -12.228 14.009 -3.024 1.00 0.60 C ATOM 0 H VAL B 53 -14.886 12.554 -3.509 1.00 0.54 H new ATOM 0 HA VAL B 53 -12.393 12.227 -4.933 1.00 0.53 H new ATOM 0 HB VAL B 53 -13.232 12.391 -2.042 1.00 0.53 H new ATOM 0 HG11 VAL B 53 -10.852 12.353 -1.405 1.00 0.51 H new ATOM 0 HG12 VAL B 53 -11.386 10.808 -2.111 1.00 0.51 H new ATOM 0 HG13 VAL B 53 -10.420 11.944 -3.083 1.00 0.51 H new ATOM 0 HG21 VAL B 53 -11.851 14.454 -2.103 1.00 0.60 H new ATOM 0 HG22 VAL B 53 -11.495 14.146 -3.819 1.00 0.60 H new ATOM 0 HG23 VAL B 53 -13.163 14.494 -3.305 1.00 0.60 H new ATOM 2389 N ILE B 54 -13.838 9.785 -3.290 1.00 0.42 N ATOM 2390 CA ILE B 54 -13.947 8.341 -3.204 1.00 0.36 C ATOM 2391 C ILE B 54 -14.168 7.738 -4.581 1.00 0.38 C ATOM 2392 O ILE B 54 -13.728 6.631 -4.867 1.00 0.38 O ATOM 2393 CB ILE B 54 -15.102 7.971 -2.287 1.00 0.35 C ATOM 2394 CG1 ILE B 54 -14.783 8.497 -0.890 1.00 0.37 C ATOM 2395 CG2 ILE B 54 -15.352 6.464 -2.280 1.00 0.32 C ATOM 2396 CD1 ILE B 54 -15.783 8.103 0.157 1.00 0.38 C ATOM 0 H ILE B 54 -14.538 10.292 -2.748 1.00 0.42 H new ATOM 0 HA ILE B 54 -13.017 7.943 -2.798 1.00 0.36 H new ATOM 0 HB ILE B 54 -16.023 8.427 -2.649 1.00 0.35 H new ATOM 0 HG12 ILE B 54 -13.799 8.133 -0.593 1.00 0.37 H new ATOM 0 HG13 ILE B 54 -14.723 9.585 -0.928 1.00 0.37 H new ATOM 0 HG21 ILE B 54 -16.184 6.236 -1.614 1.00 0.32 H new ATOM 0 HG22 ILE B 54 -15.593 6.131 -3.289 1.00 0.32 H new ATOM 0 HG23 ILE B 54 -14.457 5.948 -1.932 1.00 0.32 H new ATOM 0 HD11 ILE B 54 -15.483 8.516 1.120 1.00 0.38 H new ATOM 0 HD12 ILE B 54 -16.765 8.490 -0.114 1.00 0.38 H new ATOM 0 HD13 ILE B 54 -15.828 7.016 0.227 1.00 0.38 H new ATOM 2408 N ASP B 55 -14.853 8.488 -5.424 1.00 0.43 N ATOM 2409 CA ASP B 55 -15.062 8.103 -6.807 1.00 0.47 C ATOM 2410 C ASP B 55 -13.743 8.134 -7.545 1.00 0.48 C ATOM 2411 O ASP B 55 -13.400 7.207 -8.264 1.00 0.49 O ATOM 2412 CB ASP B 55 -16.040 9.062 -7.465 1.00 0.54 C ATOM 2413 CG ASP B 55 -17.351 8.396 -7.825 1.00 0.85 C ATOM 2414 OD1 ASP B 55 -18.238 8.301 -6.951 1.00 1.43 O ATOM 2415 OD2 ASP B 55 -17.500 7.956 -8.981 1.00 1.53 O ATOM 0 H ASP B 55 -15.279 9.379 -5.170 1.00 0.43 H new ATOM 0 HA ASP B 55 -15.472 7.094 -6.842 1.00 0.47 H new ATOM 0 HB2 ASP B 55 -16.233 9.897 -6.792 1.00 0.54 H new ATOM 0 HB3 ASP B 55 -15.587 9.476 -8.366 1.00 0.54 H new ATOM 2420 N GLU B 56 -13.010 9.214 -7.341 1.00 0.51 N ATOM 2421 CA GLU B 56 -11.668 9.368 -7.882 1.00 0.53 C ATOM 2422 C GLU B 56 -10.788 8.175 -7.507 1.00 0.47 C ATOM 2423 O GLU B 56 -10.071 7.628 -8.346 1.00 0.49 O ATOM 2424 CB GLU B 56 -11.063 10.662 -7.345 1.00 0.58 C ATOM 2425 CG GLU B 56 -11.605 11.913 -8.017 1.00 0.69 C ATOM 2426 CD GLU B 56 -11.393 11.902 -9.517 1.00 1.06 C ATOM 2427 OE1 GLU B 56 -10.252 12.148 -9.959 1.00 1.77 O ATOM 2428 OE2 GLU B 56 -12.365 11.645 -10.262 1.00 1.66 O ATOM 0 H GLU B 56 -13.329 10.013 -6.793 1.00 0.51 H new ATOM 0 HA GLU B 56 -11.724 9.411 -8.970 1.00 0.53 H new ATOM 0 HB2 GLU B 56 -11.253 10.724 -6.273 1.00 0.58 H new ATOM 0 HB3 GLU B 56 -9.981 10.629 -7.476 1.00 0.58 H new ATOM 0 HG2 GLU B 56 -12.670 12.004 -7.804 1.00 0.69 H new ATOM 0 HG3 GLU B 56 -11.119 12.791 -7.591 1.00 0.69 H new ATOM 2435 N ILE B 57 -10.858 7.780 -6.242 1.00 0.42 N ATOM 2436 CA ILE B 57 -10.137 6.617 -5.752 1.00 0.39 C ATOM 2437 C ILE B 57 -10.651 5.346 -6.410 1.00 0.36 C ATOM 2438 O ILE B 57 -9.910 4.648 -7.091 1.00 0.37 O ATOM 2439 CB ILE B 57 -10.302 6.489 -4.222 1.00 0.40 C ATOM 2440 CG1 ILE B 57 -9.281 7.345 -3.460 1.00 0.48 C ATOM 2441 CG2 ILE B 57 -10.190 5.039 -3.775 1.00 0.59 C ATOM 2442 CD1 ILE B 57 -9.311 8.822 -3.785 1.00 1.00 C ATOM 0 H ILE B 57 -11.414 8.256 -5.531 1.00 0.42 H new ATOM 0 HA ILE B 57 -9.084 6.750 -5.999 1.00 0.39 H new ATOM 0 HB ILE B 57 -11.300 6.858 -3.985 1.00 0.40 H new ATOM 0 HG12 ILE B 57 -9.452 7.221 -2.391 1.00 0.48 H new ATOM 0 HG13 ILE B 57 -8.282 6.963 -3.669 1.00 0.48 H new ATOM 0 HG21 ILE B 57 -10.310 4.981 -2.693 1.00 0.59 H new ATOM 0 HG22 ILE B 57 -10.968 4.448 -4.259 1.00 0.59 H new ATOM 0 HG23 ILE B 57 -9.211 4.647 -4.053 1.00 0.59 H new ATOM 0 HD11 ILE B 57 -8.554 9.340 -3.196 1.00 1.00 H new ATOM 0 HD12 ILE B 57 -9.106 8.965 -4.846 1.00 1.00 H new ATOM 0 HD13 ILE B 57 -10.295 9.227 -3.547 1.00 1.00 H new ATOM 2454 N PHE B 58 -11.934 5.074 -6.211 1.00 0.35 N ATOM 2455 CA PHE B 58 -12.546 3.824 -6.628 1.00 0.36 C ATOM 2456 C PHE B 58 -12.377 3.607 -8.117 1.00 0.41 C ATOM 2457 O PHE B 58 -12.010 2.526 -8.552 1.00 0.44 O ATOM 2458 CB PHE B 58 -14.024 3.822 -6.243 1.00 0.38 C ATOM 2459 CG PHE B 58 -14.761 2.571 -6.616 1.00 0.52 C ATOM 2460 CD1 PHE B 58 -14.629 1.425 -5.851 1.00 1.52 C ATOM 2461 CD2 PHE B 58 -15.592 2.543 -7.722 1.00 1.11 C ATOM 2462 CE1 PHE B 58 -15.311 0.274 -6.184 1.00 1.67 C ATOM 2463 CE2 PHE B 58 -16.276 1.395 -8.060 1.00 1.16 C ATOM 2464 CZ PHE B 58 -16.134 0.258 -7.288 1.00 0.93 C ATOM 0 H PHE B 58 -12.580 5.718 -5.754 1.00 0.35 H new ATOM 0 HA PHE B 58 -12.046 3.001 -6.117 1.00 0.36 H new ATOM 0 HB2 PHE B 58 -14.106 3.970 -5.166 1.00 0.38 H new ATOM 0 HB3 PHE B 58 -14.512 4.672 -6.720 1.00 0.38 H new ATOM 0 HD1 PHE B 58 -13.985 1.433 -4.984 1.00 1.52 H new ATOM 0 HD2 PHE B 58 -15.706 3.430 -8.327 1.00 1.11 H new ATOM 0 HE1 PHE B 58 -15.200 -0.614 -5.580 1.00 1.67 H new ATOM 0 HE2 PHE B 58 -16.921 1.384 -8.926 1.00 1.16 H new ATOM 0 HZ PHE B 58 -16.668 -0.643 -7.550 1.00 0.93 H new ATOM 2474 N GLN B 59 -12.619 4.652 -8.886 1.00 0.45 N ATOM 2475 CA GLN B 59 -12.464 4.598 -10.328 1.00 0.52 C ATOM 2476 C GLN B 59 -10.990 4.497 -10.707 1.00 0.52 C ATOM 2477 O GLN B 59 -10.647 3.993 -11.778 1.00 0.57 O ATOM 2478 CB GLN B 59 -13.091 5.837 -10.959 1.00 0.58 C ATOM 2479 CG GLN B 59 -14.608 5.863 -10.866 1.00 0.61 C ATOM 2480 CD GLN B 59 -15.209 7.114 -11.470 1.00 1.10 C ATOM 2481 OE1 GLN B 59 -14.596 8.182 -11.463 1.00 1.91 O ATOM 2482 NE2 GLN B 59 -16.417 6.996 -11.990 1.00 1.63 N ATOM 0 H GLN B 59 -12.927 5.558 -8.532 1.00 0.45 H new ATOM 0 HA GLN B 59 -12.972 3.710 -10.704 1.00 0.52 H new ATOM 0 HB2 GLN B 59 -12.690 6.726 -10.472 1.00 0.58 H new ATOM 0 HB3 GLN B 59 -12.798 5.889 -12.008 1.00 0.58 H new ATOM 0 HG2 GLN B 59 -15.014 4.988 -11.374 1.00 0.61 H new ATOM 0 HG3 GLN B 59 -14.905 5.791 -9.820 1.00 0.61 H new ATOM 0 HE21 GLN B 59 -16.892 6.094 -11.976 1.00 1.63 H new ATOM 0 HE22 GLN B 59 -16.875 7.807 -12.405 1.00 1.63 H new ATOM 2491 N GLY B 60 -10.123 4.977 -9.822 1.00 0.48 N ATOM 2492 CA GLY B 60 -8.697 4.861 -10.044 1.00 0.49 C ATOM 2493 C GLY B 60 -8.219 3.429 -9.904 1.00 0.47 C ATOM 2494 O GLY B 60 -7.202 3.043 -10.481 1.00 0.53 O ATOM 0 H GLY B 60 -10.385 5.445 -8.954 1.00 0.48 H new ATOM 0 HA2 GLY B 60 -8.453 5.230 -11.040 1.00 0.49 H new ATOM 0 HA3 GLY B 60 -8.166 5.493 -9.332 1.00 0.49 H new ATOM 2498 N LEU B 61 -8.956 2.638 -9.136 1.00 0.42 N ATOM 2499 CA LEU B 61 -8.626 1.235 -8.939 1.00 0.44 C ATOM 2500 C LEU B 61 -9.452 0.393 -9.896 1.00 0.51 C ATOM 2501 O LEU B 61 -8.920 -0.457 -10.611 1.00 0.59 O ATOM 2502 CB LEU B 61 -8.905 0.807 -7.492 1.00 0.39 C ATOM 2503 CG LEU B 61 -8.992 1.946 -6.478 1.00 0.34 C ATOM 2504 CD1 LEU B 61 -9.505 1.435 -5.145 1.00 0.31 C ATOM 2505 CD2 LEU B 61 -7.638 2.619 -6.307 1.00 0.35 C ATOM 0 H LEU B 61 -9.790 2.947 -8.637 1.00 0.42 H new ATOM 0 HA LEU B 61 -7.564 1.089 -9.137 1.00 0.44 H new ATOM 0 HB2 LEU B 61 -9.842 0.251 -7.470 1.00 0.39 H new ATOM 0 HB3 LEU B 61 -8.119 0.121 -7.176 1.00 0.39 H new ATOM 0 HG LEU B 61 -9.696 2.687 -6.857 1.00 0.34 H new ATOM 0 HD11 LEU B 61 -9.560 2.261 -4.436 1.00 0.31 H new ATOM 0 HD12 LEU B 61 -10.497 1.004 -5.278 1.00 0.31 H new ATOM 0 HD13 LEU B 61 -8.827 0.672 -4.762 1.00 0.31 H new ATOM 0 HD21 LEU B 61 -7.723 3.427 -5.581 1.00 0.35 H new ATOM 0 HD22 LEU B 61 -6.910 1.888 -5.954 1.00 0.35 H new ATOM 0 HD23 LEU B 61 -7.310 3.024 -7.264 1.00 0.35 H new ATOM 2517 N ASP B 62 -10.747 0.675 -9.917 1.00 0.51 N ATOM 2518 CA ASP B 62 -11.692 -0.013 -10.785 1.00 0.59 C ATOM 2519 C ASP B 62 -11.547 0.483 -12.217 1.00 0.70 C ATOM 2520 O ASP B 62 -12.344 1.289 -12.703 1.00 0.75 O ATOM 2521 CB ASP B 62 -13.127 0.214 -10.298 1.00 0.57 C ATOM 2522 CG ASP B 62 -14.156 -0.560 -11.104 1.00 0.64 C ATOM 2523 OD1 ASP B 62 -13.784 -1.525 -11.806 1.00 1.40 O ATOM 2524 OD2 ASP B 62 -15.351 -0.204 -11.041 1.00 1.11 O ATOM 0 H ASP B 62 -11.174 1.391 -9.329 1.00 0.51 H new ATOM 0 HA ASP B 62 -11.475 -1.081 -10.755 1.00 0.59 H new ATOM 0 HB2 ASP B 62 -13.200 -0.078 -9.250 1.00 0.57 H new ATOM 0 HB3 ASP B 62 -13.358 1.278 -10.350 1.00 0.57 H new ATOM 2529 N ALA B 63 -10.511 0.005 -12.879 1.00 0.78 N ATOM 2530 CA ALA B 63 -10.255 0.361 -14.261 1.00 0.94 C ATOM 2531 C ALA B 63 -11.256 -0.323 -15.181 1.00 1.12 C ATOM 2532 O ALA B 63 -11.461 0.101 -16.318 1.00 1.31 O ATOM 2533 CB ALA B 63 -8.831 -0.009 -14.645 1.00 1.00 C ATOM 0 H ALA B 63 -9.827 -0.637 -12.477 1.00 0.78 H new ATOM 0 HA ALA B 63 -10.372 1.439 -14.371 1.00 0.94 H new ATOM 0 HB1 ALA B 63 -8.652 0.264 -15.685 1.00 1.00 H new ATOM 0 HB2 ALA B 63 -8.131 0.526 -14.004 1.00 1.00 H new ATOM 0 HB3 ALA B 63 -8.688 -1.083 -14.522 1.00 1.00 H new ATOM 2539 N ASN B 64 -11.888 -1.378 -14.677 1.00 1.10 N ATOM 2540 CA ASN B 64 -12.871 -2.125 -15.452 1.00 1.28 C ATOM 2541 C ASN B 64 -14.224 -1.420 -15.410 1.00 1.22 C ATOM 2542 O ASN B 64 -15.079 -1.628 -16.271 1.00 1.37 O ATOM 2543 CB ASN B 64 -13.003 -3.552 -14.906 1.00 1.34 C ATOM 2544 CG ASN B 64 -13.917 -4.428 -15.744 1.00 2.04 C ATOM 2545 OD1 ASN B 64 -14.014 -4.266 -16.961 1.00 2.56 O ATOM 2546 ND2 ASN B 64 -14.589 -5.369 -15.099 1.00 2.80 N ATOM 0 H ASN B 64 -11.736 -1.735 -13.734 1.00 1.10 H new ATOM 0 HA ASN B 64 -12.534 -2.175 -16.487 1.00 1.28 H new ATOM 0 HB2 ASN B 64 -12.015 -4.009 -14.858 1.00 1.34 H new ATOM 0 HB3 ASN B 64 -13.384 -3.510 -13.886 1.00 1.34 H new ATOM 0 HD21 ASN B 64 -15.214 -5.991 -15.611 1.00 2.80 H new ATOM 0 HD22 ASN B 64 -14.482 -5.472 -14.090 1.00 2.80 H new ATOM 2553 N GLN B 65 -14.383 -0.569 -14.394 1.00 1.04 N ATOM 2554 CA GLN B 65 -15.580 0.252 -14.210 1.00 1.06 C ATOM 2555 C GLN B 65 -16.819 -0.611 -14.001 1.00 1.04 C ATOM 2556 O GLN B 65 -17.925 -0.240 -14.401 1.00 1.17 O ATOM 2557 CB GLN B 65 -15.781 1.201 -15.394 1.00 1.32 C ATOM 2558 CG GLN B 65 -14.668 2.228 -15.542 1.00 1.38 C ATOM 2559 CD GLN B 65 -14.919 3.214 -16.667 1.00 2.03 C ATOM 2560 OE1 GLN B 65 -15.612 2.771 -17.703 1.00 2.72 O flip ATOM 2561 NE2 GLN B 65 -14.489 4.368 -16.605 1.00 2.58 N flip ATOM 0 H GLN B 65 -13.678 -0.430 -13.670 1.00 1.04 H new ATOM 0 HA GLN B 65 -15.431 0.850 -13.311 1.00 1.06 H new ATOM 0 HB2 GLN B 65 -15.850 0.616 -16.311 1.00 1.32 H new ATOM 0 HB3 GLN B 65 -16.732 1.721 -15.276 1.00 1.32 H new ATOM 0 HG2 GLN B 65 -14.558 2.774 -14.605 1.00 1.38 H new ATOM 0 HG3 GLN B 65 -13.725 1.711 -15.722 1.00 1.38 H new ATOM 0 HE21 GLN B 65 -13.959 4.671 -15.788 1.00 2.58 H new ATOM 0 HE22 GLN B 65 -14.664 5.019 -17.370 1.00 2.58 H new ATOM 2570 N ASP B 66 -16.635 -1.751 -13.348 1.00 0.93 N ATOM 2571 CA ASP B 66 -17.730 -2.693 -13.120 1.00 0.95 C ATOM 2572 C ASP B 66 -18.236 -2.581 -11.683 1.00 0.81 C ATOM 2573 O ASP B 66 -19.137 -3.309 -11.263 1.00 0.82 O ATOM 2574 CB ASP B 66 -17.272 -4.124 -13.424 1.00 1.06 C ATOM 2575 CG ASP B 66 -18.420 -5.112 -13.481 1.00 1.43 C ATOM 2576 OD1 ASP B 66 -19.243 -5.016 -14.420 1.00 2.14 O ATOM 2577 OD2 ASP B 66 -18.507 -5.990 -12.597 1.00 1.88 O ATOM 0 H ASP B 66 -15.738 -2.049 -12.965 1.00 0.93 H new ATOM 0 HA ASP B 66 -18.551 -2.445 -13.792 1.00 0.95 H new ATOM 0 HB2 ASP B 66 -16.742 -4.136 -14.376 1.00 1.06 H new ATOM 0 HB3 ASP B 66 -16.563 -4.443 -12.660 1.00 1.06 H new ATOM 2582 N GLU B 67 -17.638 -1.650 -10.947 1.00 0.73 N ATOM 2583 CA GLU B 67 -18.010 -1.349 -9.567 1.00 0.63 C ATOM 2584 C GLU B 67 -17.617 -2.494 -8.627 1.00 0.58 C ATOM 2585 O GLU B 67 -18.359 -2.859 -7.711 1.00 0.61 O ATOM 2586 CB GLU B 67 -19.505 -1.012 -9.449 1.00 0.68 C ATOM 2587 CG GLU B 67 -19.871 -0.341 -8.133 1.00 0.97 C ATOM 2588 CD GLU B 67 -21.324 0.073 -8.066 1.00 1.42 C ATOM 2589 OE1 GLU B 67 -22.163 -0.756 -7.654 1.00 2.00 O ATOM 2590 OE2 GLU B 67 -21.630 1.232 -8.414 1.00 2.01 O ATOM 0 H GLU B 67 -16.871 -1.075 -11.296 1.00 0.73 H new ATOM 0 HA GLU B 67 -17.453 -0.464 -9.260 1.00 0.63 H new ATOM 0 HB2 GLU B 67 -19.789 -0.358 -10.273 1.00 0.68 H new ATOM 0 HB3 GLU B 67 -20.086 -1.928 -9.555 1.00 0.68 H new ATOM 0 HG2 GLU B 67 -19.655 -1.023 -7.311 1.00 0.97 H new ATOM 0 HG3 GLU B 67 -19.242 0.538 -7.992 1.00 0.97 H new ATOM 2597 N GLN B 68 -16.440 -3.054 -8.865 1.00 0.62 N ATOM 2598 CA GLN B 68 -15.866 -4.065 -7.981 1.00 0.66 C ATOM 2599 C GLN B 68 -14.355 -3.900 -7.922 1.00 0.66 C ATOM 2600 O GLN B 68 -13.679 -4.032 -8.942 1.00 0.78 O ATOM 2601 CB GLN B 68 -16.185 -5.487 -8.462 1.00 0.86 C ATOM 2602 CG GLN B 68 -17.661 -5.845 -8.448 1.00 1.38 C ATOM 2603 CD GLN B 68 -17.899 -7.321 -8.703 1.00 1.64 C ATOM 2604 OE1 GLN B 68 -17.078 -8.169 -8.341 1.00 2.16 O ATOM 2605 NE2 GLN B 68 -19.018 -7.640 -9.330 1.00 2.07 N ATOM 0 H GLN B 68 -15.857 -2.824 -9.670 1.00 0.62 H new ATOM 0 HA GLN B 68 -16.306 -3.924 -6.994 1.00 0.66 H new ATOM 0 HB2 GLN B 68 -15.806 -5.606 -9.477 1.00 0.86 H new ATOM 0 HB3 GLN B 68 -15.647 -6.198 -7.835 1.00 0.86 H new ATOM 0 HG2 GLN B 68 -18.089 -5.572 -7.484 1.00 1.38 H new ATOM 0 HG3 GLN B 68 -18.182 -5.259 -9.206 1.00 1.38 H new ATOM 0 HE21 GLN B 68 -19.671 -6.909 -9.613 1.00 2.07 H new ATOM 0 HE22 GLN B 68 -19.229 -8.617 -9.531 1.00 2.07 H new ATOM 2614 N VAL B 69 -13.826 -3.609 -6.746 1.00 0.59 N ATOM 2615 CA VAL B 69 -12.382 -3.509 -6.585 1.00 0.64 C ATOM 2616 C VAL B 69 -11.802 -4.775 -5.960 1.00 0.64 C ATOM 2617 O VAL B 69 -12.180 -5.189 -4.864 1.00 0.68 O ATOM 2618 CB VAL B 69 -11.956 -2.268 -5.766 1.00 0.72 C ATOM 2619 CG1 VAL B 69 -12.190 -1.005 -6.574 1.00 1.81 C ATOM 2620 CG2 VAL B 69 -12.692 -2.193 -4.436 1.00 1.22 C ATOM 0 H VAL B 69 -14.365 -3.439 -5.897 1.00 0.59 H new ATOM 0 HA VAL B 69 -11.975 -3.393 -7.589 1.00 0.64 H new ATOM 0 HB VAL B 69 -10.892 -2.360 -5.547 1.00 0.72 H new ATOM 0 HG11 VAL B 69 -11.887 -0.137 -5.988 1.00 1.81 H new ATOM 0 HG12 VAL B 69 -11.603 -1.046 -7.492 1.00 1.81 H new ATOM 0 HG13 VAL B 69 -13.248 -0.923 -6.823 1.00 1.81 H new ATOM 0 HG21 VAL B 69 -12.366 -1.308 -3.889 1.00 1.22 H new ATOM 0 HG22 VAL B 69 -13.765 -2.133 -4.617 1.00 1.22 H new ATOM 0 HG23 VAL B 69 -12.473 -3.084 -3.848 1.00 1.22 H new ATOM 2630 N ASP B 70 -10.903 -5.404 -6.698 1.00 0.67 N ATOM 2631 CA ASP B 70 -10.201 -6.592 -6.236 1.00 0.73 C ATOM 2632 C ASP B 70 -9.165 -6.224 -5.178 1.00 0.64 C ATOM 2633 O ASP B 70 -8.941 -5.045 -4.918 1.00 0.56 O ATOM 2634 CB ASP B 70 -9.516 -7.270 -7.427 1.00 0.84 C ATOM 2635 CG ASP B 70 -8.771 -8.532 -7.050 1.00 1.38 C ATOM 2636 OD1 ASP B 70 -9.424 -9.552 -6.760 1.00 1.98 O ATOM 2637 OD2 ASP B 70 -7.521 -8.499 -7.031 1.00 2.02 O ATOM 0 H ASP B 70 -10.638 -5.105 -7.637 1.00 0.67 H new ATOM 0 HA ASP B 70 -10.919 -7.278 -5.788 1.00 0.73 H new ATOM 0 HB2 ASP B 70 -10.266 -7.511 -8.180 1.00 0.84 H new ATOM 0 HB3 ASP B 70 -8.819 -6.568 -7.884 1.00 0.84 H new ATOM 2642 N PHE B 71 -8.529 -7.219 -4.577 1.00 0.70 N ATOM 2643 CA PHE B 71 -7.463 -6.975 -3.615 1.00 0.67 C ATOM 2644 C PHE B 71 -6.349 -6.163 -4.270 1.00 0.56 C ATOM 2645 O PHE B 71 -5.705 -5.345 -3.626 1.00 0.48 O ATOM 2646 CB PHE B 71 -6.898 -8.297 -3.093 1.00 0.83 C ATOM 2647 CG PHE B 71 -7.948 -9.339 -2.836 1.00 1.12 C ATOM 2648 CD1 PHE B 71 -8.831 -9.210 -1.779 1.00 1.50 C ATOM 2649 CD2 PHE B 71 -8.059 -10.444 -3.663 1.00 1.93 C ATOM 2650 CE1 PHE B 71 -9.804 -10.165 -1.551 1.00 1.76 C ATOM 2651 CE2 PHE B 71 -9.029 -11.400 -3.440 1.00 2.18 C ATOM 2652 CZ PHE B 71 -9.902 -11.260 -2.383 1.00 1.77 C ATOM 0 H PHE B 71 -8.733 -8.205 -4.739 1.00 0.70 H new ATOM 0 HA PHE B 71 -7.875 -6.415 -2.776 1.00 0.67 H new ATOM 0 HB2 PHE B 71 -6.181 -8.686 -3.815 1.00 0.83 H new ATOM 0 HB3 PHE B 71 -6.350 -8.109 -2.169 1.00 0.83 H new ATOM 0 HD1 PHE B 71 -8.759 -8.354 -1.125 1.00 1.50 H new ATOM 0 HD2 PHE B 71 -7.378 -10.559 -4.493 1.00 1.93 H new ATOM 0 HE1 PHE B 71 -10.487 -10.053 -0.722 1.00 1.76 H new ATOM 0 HE2 PHE B 71 -9.104 -12.257 -4.093 1.00 2.18 H new ATOM 0 HZ PHE B 71 -10.662 -12.007 -2.207 1.00 1.77 H new ATOM 2662 N GLN B 72 -6.134 -6.404 -5.560 1.00 0.60 N ATOM 2663 CA GLN B 72 -5.149 -5.659 -6.338 1.00 0.57 C ATOM 2664 C GLN B 72 -5.569 -4.199 -6.490 1.00 0.50 C ATOM 2665 O GLN B 72 -4.753 -3.281 -6.396 1.00 0.47 O ATOM 2666 CB GLN B 72 -4.996 -6.287 -7.724 1.00 0.70 C ATOM 2667 CG GLN B 72 -4.020 -5.543 -8.612 1.00 0.75 C ATOM 2668 CD GLN B 72 -4.101 -5.969 -10.064 1.00 1.09 C ATOM 2669 OE1 GLN B 72 -4.874 -5.410 -10.846 1.00 1.67 O ATOM 2670 NE2 GLN B 72 -3.302 -6.951 -10.440 1.00 1.66 N ATOM 0 H GLN B 72 -6.634 -7.116 -6.093 1.00 0.60 H new ATOM 0 HA GLN B 72 -4.197 -5.698 -5.808 1.00 0.57 H new ATOM 0 HB2 GLN B 72 -4.663 -7.319 -7.613 1.00 0.70 H new ATOM 0 HB3 GLN B 72 -5.970 -6.317 -8.212 1.00 0.70 H new ATOM 0 HG2 GLN B 72 -4.215 -4.473 -8.541 1.00 0.75 H new ATOM 0 HG3 GLN B 72 -3.006 -5.707 -8.246 1.00 0.75 H new ATOM 0 HE21 GLN B 72 -2.677 -7.388 -9.763 1.00 1.66 H new ATOM 0 HE22 GLN B 72 -3.310 -7.273 -11.408 1.00 1.66 H new ATOM 2679 N GLU B 73 -6.846 -3.995 -6.734 1.00 0.50 N ATOM 2680 CA GLU B 73 -7.395 -2.661 -6.895 1.00 0.47 C ATOM 2681 C GLU B 73 -7.439 -1.945 -5.552 1.00 0.36 C ATOM 2682 O GLU B 73 -7.150 -0.756 -5.460 1.00 0.33 O ATOM 2683 CB GLU B 73 -8.776 -2.759 -7.531 1.00 0.56 C ATOM 2684 CG GLU B 73 -8.726 -3.417 -8.901 1.00 0.78 C ATOM 2685 CD GLU B 73 -10.091 -3.708 -9.480 1.00 1.16 C ATOM 2686 OE1 GLU B 73 -10.636 -2.846 -10.193 1.00 1.99 O ATOM 2687 OE2 GLU B 73 -10.610 -4.815 -9.245 1.00 1.82 O ATOM 0 H GLU B 73 -7.532 -4.744 -6.826 1.00 0.50 H new ATOM 0 HA GLU B 73 -6.757 -2.073 -7.554 1.00 0.47 H new ATOM 0 HB2 GLU B 73 -9.436 -3.330 -6.878 1.00 0.56 H new ATOM 0 HB3 GLU B 73 -9.204 -1.761 -7.623 1.00 0.56 H new ATOM 0 HG2 GLU B 73 -8.180 -2.769 -9.587 1.00 0.78 H new ATOM 0 HG3 GLU B 73 -8.165 -4.349 -8.828 1.00 0.78 H new ATOM 2694 N PHE B 74 -7.769 -2.686 -4.506 1.00 0.37 N ATOM 2695 CA PHE B 74 -7.677 -2.172 -3.150 1.00 0.34 C ATOM 2696 C PHE B 74 -6.225 -1.847 -2.814 1.00 0.32 C ATOM 2697 O PHE B 74 -5.936 -0.923 -2.055 1.00 0.34 O ATOM 2698 CB PHE B 74 -8.247 -3.188 -2.156 1.00 0.43 C ATOM 2699 CG PHE B 74 -8.006 -2.820 -0.718 1.00 0.78 C ATOM 2700 CD1 PHE B 74 -8.786 -1.857 -0.096 1.00 1.44 C ATOM 2701 CD2 PHE B 74 -6.993 -3.428 0.007 1.00 1.32 C ATOM 2702 CE1 PHE B 74 -8.562 -1.510 1.223 1.00 1.92 C ATOM 2703 CE2 PHE B 74 -6.763 -3.084 1.324 1.00 1.77 C ATOM 2704 CZ PHE B 74 -7.548 -2.123 1.933 1.00 1.90 C ATOM 0 H PHE B 74 -8.104 -3.647 -4.571 1.00 0.37 H new ATOM 0 HA PHE B 74 -8.265 -1.257 -3.077 1.00 0.34 H new ATOM 0 HB2 PHE B 74 -9.320 -3.285 -2.323 1.00 0.43 H new ATOM 0 HB3 PHE B 74 -7.804 -4.164 -2.352 1.00 0.43 H new ATOM 0 HD1 PHE B 74 -9.578 -1.373 -0.648 1.00 1.44 H new ATOM 0 HD2 PHE B 74 -6.377 -4.179 -0.464 1.00 1.32 H new ATOM 0 HE1 PHE B 74 -9.179 -0.761 1.698 1.00 1.92 H new ATOM 0 HE2 PHE B 74 -5.971 -3.565 1.878 1.00 1.77 H new ATOM 0 HZ PHE B 74 -7.369 -1.852 2.963 1.00 1.90 H new ATOM 2714 N ILE B 75 -5.316 -2.603 -3.411 1.00 0.33 N ATOM 2715 CA ILE B 75 -3.894 -2.349 -3.278 1.00 0.36 C ATOM 2716 C ILE B 75 -3.568 -0.997 -3.890 1.00 0.34 C ATOM 2717 O ILE B 75 -2.763 -0.228 -3.361 1.00 0.36 O ATOM 2718 CB ILE B 75 -3.081 -3.473 -3.964 1.00 0.41 C ATOM 2719 CG1 ILE B 75 -2.698 -4.548 -2.954 1.00 0.49 C ATOM 2720 CG2 ILE B 75 -1.851 -2.929 -4.666 1.00 0.46 C ATOM 2721 CD1 ILE B 75 -2.160 -5.795 -3.601 1.00 0.67 C ATOM 0 H ILE B 75 -5.544 -3.405 -3.998 1.00 0.33 H new ATOM 0 HA ILE B 75 -3.623 -2.336 -2.222 1.00 0.36 H new ATOM 0 HB ILE B 75 -3.717 -3.923 -4.726 1.00 0.41 H new ATOM 0 HG12 ILE B 75 -1.949 -4.147 -2.271 1.00 0.49 H new ATOM 0 HG13 ILE B 75 -3.572 -4.804 -2.355 1.00 0.49 H new ATOM 0 HG21 ILE B 75 -1.307 -3.749 -5.135 1.00 0.46 H new ATOM 0 HG22 ILE B 75 -2.155 -2.212 -5.429 1.00 0.46 H new ATOM 0 HG23 ILE B 75 -1.206 -2.435 -3.939 1.00 0.46 H new ATOM 0 HD11 ILE B 75 -1.905 -6.523 -2.831 1.00 0.67 H new ATOM 0 HD12 ILE B 75 -2.916 -6.217 -4.263 1.00 0.67 H new ATOM 0 HD13 ILE B 75 -1.268 -5.550 -4.178 1.00 0.67 H new ATOM 2733 N SER B 76 -4.237 -0.704 -4.995 1.00 0.34 N ATOM 2734 CA SER B 76 -4.087 0.568 -5.657 1.00 0.36 C ATOM 2735 C SER B 76 -4.630 1.689 -4.775 1.00 0.31 C ATOM 2736 O SER B 76 -4.097 2.786 -4.767 1.00 0.33 O ATOM 2737 CB SER B 76 -4.797 0.540 -7.008 1.00 0.45 C ATOM 2738 OG SER B 76 -4.271 -0.488 -7.834 1.00 0.74 O ATOM 0 H SER B 76 -4.892 -1.340 -5.449 1.00 0.34 H new ATOM 0 HA SER B 76 -3.028 0.758 -5.831 1.00 0.36 H new ATOM 0 HB2 SER B 76 -5.865 0.382 -6.859 1.00 0.45 H new ATOM 0 HB3 SER B 76 -4.683 1.504 -7.503 1.00 0.45 H new ATOM 0 HG SER B 76 -4.467 -1.361 -7.434 1.00 0.74 H new ATOM 2744 N LEU B 77 -5.677 1.402 -4.011 1.00 0.28 N ATOM 2745 CA LEU B 77 -6.211 2.373 -3.060 1.00 0.26 C ATOM 2746 C LEU B 77 -5.128 2.755 -2.065 1.00 0.23 C ATOM 2747 O LEU B 77 -4.922 3.932 -1.779 1.00 0.23 O ATOM 2748 CB LEU B 77 -7.452 1.791 -2.348 1.00 0.30 C ATOM 2749 CG LEU B 77 -8.033 2.590 -1.161 1.00 0.38 C ATOM 2750 CD1 LEU B 77 -7.329 2.234 0.143 1.00 1.11 C ATOM 2751 CD2 LEU B 77 -7.952 4.090 -1.408 1.00 1.14 C ATOM 0 H LEU B 77 -6.172 0.510 -4.030 1.00 0.28 H new ATOM 0 HA LEU B 77 -6.524 3.273 -3.589 1.00 0.26 H new ATOM 0 HB2 LEU B 77 -8.241 1.671 -3.091 1.00 0.30 H new ATOM 0 HB3 LEU B 77 -7.197 0.794 -1.990 1.00 0.30 H new ATOM 0 HG LEU B 77 -9.084 2.314 -1.072 1.00 0.38 H new ATOM 0 HD11 LEU B 77 -7.761 2.813 0.959 1.00 1.11 H new ATOM 0 HD12 LEU B 77 -7.455 1.171 0.346 1.00 1.11 H new ATOM 0 HD13 LEU B 77 -6.267 2.463 0.057 1.00 1.11 H new ATOM 0 HD21 LEU B 77 -8.369 4.623 -0.553 1.00 1.14 H new ATOM 0 HD22 LEU B 77 -6.910 4.381 -1.543 1.00 1.14 H new ATOM 0 HD23 LEU B 77 -8.518 4.342 -2.304 1.00 1.14 H new ATOM 2763 N VAL B 78 -4.421 1.759 -1.561 1.00 0.24 N ATOM 2764 CA VAL B 78 -3.355 2.006 -0.610 1.00 0.25 C ATOM 2765 C VAL B 78 -2.231 2.775 -1.280 1.00 0.27 C ATOM 2766 O VAL B 78 -1.528 3.542 -0.640 1.00 0.28 O ATOM 2767 CB VAL B 78 -2.802 0.704 -0.020 1.00 0.29 C ATOM 2768 CG1 VAL B 78 -1.876 1.012 1.142 1.00 0.33 C ATOM 2769 CG2 VAL B 78 -3.944 -0.209 0.406 1.00 0.31 C ATOM 0 H VAL B 78 -4.566 0.776 -1.794 1.00 0.24 H new ATOM 0 HA VAL B 78 -3.774 2.594 0.206 1.00 0.25 H new ATOM 0 HB VAL B 78 -2.224 0.181 -0.782 1.00 0.29 H new ATOM 0 HG11 VAL B 78 -1.488 0.081 1.555 1.00 0.33 H new ATOM 0 HG12 VAL B 78 -1.047 1.628 0.793 1.00 0.33 H new ATOM 0 HG13 VAL B 78 -2.427 1.549 1.914 1.00 0.33 H new ATOM 0 HG21 VAL B 78 -3.537 -1.130 0.823 1.00 0.31 H new ATOM 0 HG22 VAL B 78 -4.550 0.294 1.159 1.00 0.31 H new ATOM 0 HG23 VAL B 78 -4.563 -0.445 -0.459 1.00 0.31 H new ATOM 2779 N ALA B 79 -2.074 2.565 -2.575 1.00 0.31 N ATOM 2780 CA ALA B 79 -1.131 3.336 -3.363 1.00 0.36 C ATOM 2781 C ALA B 79 -1.498 4.817 -3.316 1.00 0.33 C ATOM 2782 O ALA B 79 -0.668 5.669 -3.001 1.00 0.34 O ATOM 2783 CB ALA B 79 -1.122 2.834 -4.798 1.00 0.43 C ATOM 0 H ALA B 79 -2.591 1.863 -3.105 1.00 0.31 H new ATOM 0 HA ALA B 79 -0.132 3.213 -2.945 1.00 0.36 H new ATOM 0 HB1 ALA B 79 -0.412 3.418 -5.383 1.00 0.43 H new ATOM 0 HB2 ALA B 79 -0.829 1.784 -4.814 1.00 0.43 H new ATOM 0 HB3 ALA B 79 -2.119 2.940 -5.227 1.00 0.43 H new ATOM 2789 N ILE B 80 -2.761 5.099 -3.610 1.00 0.32 N ATOM 2790 CA ILE B 80 -3.306 6.453 -3.549 1.00 0.32 C ATOM 2791 C ILE B 80 -3.186 7.013 -2.133 1.00 0.28 C ATOM 2792 O ILE B 80 -2.932 8.199 -1.938 1.00 0.31 O ATOM 2793 CB ILE B 80 -4.801 6.473 -3.988 1.00 0.34 C ATOM 2794 CG1 ILE B 80 -4.955 6.416 -5.517 1.00 0.38 C ATOM 2795 CG2 ILE B 80 -5.516 7.706 -3.449 1.00 0.36 C ATOM 2796 CD1 ILE B 80 -4.281 5.238 -6.184 1.00 0.40 C ATOM 0 H ILE B 80 -3.440 4.394 -3.899 1.00 0.32 H new ATOM 0 HA ILE B 80 -2.730 7.074 -4.234 1.00 0.32 H new ATOM 0 HB ILE B 80 -5.260 5.579 -3.566 1.00 0.34 H new ATOM 0 HG12 ILE B 80 -6.017 6.392 -5.759 1.00 0.38 H new ATOM 0 HG13 ILE B 80 -4.551 7.335 -5.942 1.00 0.38 H new ATOM 0 HG21 ILE B 80 -6.557 7.693 -3.771 1.00 0.36 H new ATOM 0 HG22 ILE B 80 -5.473 7.704 -2.360 1.00 0.36 H new ATOM 0 HG23 ILE B 80 -5.030 8.604 -3.830 1.00 0.36 H new ATOM 0 HD11 ILE B 80 -4.446 5.286 -7.260 1.00 0.40 H new ATOM 0 HD12 ILE B 80 -3.211 5.267 -5.979 1.00 0.40 H new ATOM 0 HD13 ILE B 80 -4.700 4.310 -5.794 1.00 0.40 H new ATOM 2808 N ALA B 81 -3.347 6.140 -1.156 1.00 0.23 N ATOM 2809 CA ALA B 81 -3.368 6.538 0.239 1.00 0.23 C ATOM 2810 C ALA B 81 -1.965 6.778 0.797 1.00 0.23 C ATOM 2811 O ALA B 81 -1.766 7.656 1.636 1.00 0.28 O ATOM 2812 CB ALA B 81 -4.116 5.497 1.040 1.00 0.24 C ATOM 0 H ALA B 81 -3.467 5.138 -1.306 1.00 0.23 H new ATOM 0 HA ALA B 81 -3.886 7.494 0.318 1.00 0.23 H new ATOM 0 HB1 ALA B 81 -4.135 5.790 2.090 1.00 0.24 H new ATOM 0 HB2 ALA B 81 -5.137 5.415 0.667 1.00 0.24 H new ATOM 0 HB3 ALA B 81 -3.616 4.534 0.942 1.00 0.24 H new ATOM 2818 N LEU B 82 -0.992 6.006 0.336 1.00 0.22 N ATOM 2819 CA LEU B 82 0.404 6.260 0.674 1.00 0.23 C ATOM 2820 C LEU B 82 0.856 7.518 -0.034 1.00 0.24 C ATOM 2821 O LEU B 82 1.636 8.318 0.496 1.00 0.30 O ATOM 2822 CB LEU B 82 1.290 5.093 0.255 1.00 0.25 C ATOM 2823 CG LEU B 82 1.014 3.770 0.960 1.00 0.27 C ATOM 2824 CD1 LEU B 82 2.004 2.730 0.496 1.00 0.33 C ATOM 2825 CD2 LEU B 82 1.086 3.938 2.468 1.00 0.32 C ATOM 0 H LEU B 82 -1.141 5.200 -0.272 1.00 0.22 H new ATOM 0 HA LEU B 82 0.489 6.380 1.754 1.00 0.23 H new ATOM 0 HB2 LEU B 82 1.178 4.942 -0.819 1.00 0.25 H new ATOM 0 HB3 LEU B 82 2.330 5.368 0.431 1.00 0.25 H new ATOM 0 HG LEU B 82 0.006 3.440 0.706 1.00 0.27 H new ATOM 0 HD11 LEU B 82 1.804 1.786 1.002 1.00 0.33 H new ATOM 0 HD12 LEU B 82 1.909 2.592 -0.581 1.00 0.33 H new ATOM 0 HD13 LEU B 82 3.016 3.060 0.731 1.00 0.33 H new ATOM 0 HD21 LEU B 82 0.886 2.981 2.951 1.00 0.32 H new ATOM 0 HD22 LEU B 82 2.081 4.285 2.748 1.00 0.32 H new ATOM 0 HD23 LEU B 82 0.343 4.669 2.789 1.00 0.32 H new ATOM 2837 N LYS B 83 0.356 7.670 -1.252 1.00 0.26 N ATOM 2838 CA LYS B 83 0.508 8.891 -2.009 1.00 0.33 C ATOM 2839 C LYS B 83 -0.045 10.065 -1.208 1.00 0.31 C ATOM 2840 O LYS B 83 0.525 11.150 -1.199 1.00 0.44 O ATOM 2841 CB LYS B 83 -0.229 8.760 -3.341 1.00 0.42 C ATOM 2842 CG LYS B 83 0.714 8.700 -4.511 1.00 0.66 C ATOM 2843 CD LYS B 83 1.554 9.950 -4.549 1.00 1.04 C ATOM 2844 CE LYS B 83 2.872 9.722 -5.245 1.00 0.80 C ATOM 2845 NZ LYS B 83 3.683 8.657 -4.611 1.00 1.67 N ATOM 0 H LYS B 83 -0.168 6.943 -1.740 1.00 0.26 H new ATOM 0 HA LYS B 83 1.565 9.070 -2.206 1.00 0.33 H new ATOM 0 HB2 LYS B 83 -0.844 7.860 -3.326 1.00 0.42 H new ATOM 0 HB3 LYS B 83 -0.905 9.606 -3.465 1.00 0.42 H new ATOM 0 HG2 LYS B 83 1.355 7.822 -4.430 1.00 0.66 H new ATOM 0 HG3 LYS B 83 0.152 8.600 -5.439 1.00 0.66 H new ATOM 0 HD2 LYS B 83 1.005 10.740 -5.061 1.00 1.04 H new ATOM 0 HD3 LYS B 83 1.736 10.296 -3.531 1.00 1.04 H new ATOM 0 HE2 LYS B 83 2.686 9.459 -6.286 1.00 0.80 H new ATOM 0 HE3 LYS B 83 3.441 10.652 -5.248 1.00 0.80 H new ATOM 0 HZ1 LYS B 83 4.622 9.033 -4.370 1.00 1.67 H new ATOM 0 HZ2 LYS B 83 3.209 8.329 -3.745 1.00 1.67 H new ATOM 0 HZ3 LYS B 83 3.788 7.861 -5.272 1.00 1.67 H new ATOM 2859 N ALA B 84 -1.142 9.804 -0.508 1.00 0.31 N ATOM 2860 CA ALA B 84 -1.839 10.811 0.280 1.00 0.35 C ATOM 2861 C ALA B 84 -1.078 11.197 1.530 1.00 0.33 C ATOM 2862 O ALA B 84 -1.170 12.327 1.987 1.00 0.40 O ATOM 2863 CB ALA B 84 -3.220 10.306 0.653 1.00 0.48 C ATOM 0 H ALA B 84 -1.575 8.881 -0.471 1.00 0.31 H new ATOM 0 HA ALA B 84 -1.922 11.706 -0.337 1.00 0.35 H new ATOM 0 HB1 ALA B 84 -3.737 11.063 1.242 1.00 0.48 H new ATOM 0 HB2 ALA B 84 -3.789 10.100 -0.253 1.00 0.48 H new ATOM 0 HB3 ALA B 84 -3.127 9.391 1.238 1.00 0.48 H new ATOM 2869 N ALA B 85 -0.346 10.261 2.089 1.00 0.30 N ATOM 2870 CA ALA B 85 0.387 10.525 3.309 1.00 0.38 C ATOM 2871 C ALA B 85 1.728 11.209 3.025 1.00 0.44 C ATOM 2872 O ALA B 85 1.998 12.293 3.538 1.00 0.57 O ATOM 2873 CB ALA B 85 0.577 9.234 4.086 1.00 0.42 C ATOM 0 H ALA B 85 -0.241 9.315 1.722 1.00 0.30 H new ATOM 0 HA ALA B 85 -0.196 11.216 3.918 1.00 0.38 H new ATOM 0 HB1 ALA B 85 1.129 9.439 5.003 1.00 0.42 H new ATOM 0 HB2 ALA B 85 -0.397 8.813 4.335 1.00 0.42 H new ATOM 0 HB3 ALA B 85 1.135 8.522 3.478 1.00 0.42 H new ATOM 2879 N HIS B 86 2.566 10.591 2.196 1.00 0.44 N ATOM 2880 CA HIS B 86 3.915 11.113 1.974 1.00 0.59 C ATOM 2881 C HIS B 86 3.939 12.177 0.866 1.00 0.63 C ATOM 2882 O HIS B 86 4.563 13.219 1.023 1.00 0.72 O ATOM 2883 CB HIS B 86 4.897 9.960 1.689 1.00 0.69 C ATOM 2884 CG HIS B 86 6.344 10.377 1.602 1.00 1.28 C ATOM 2885 ND1 HIS B 86 6.850 11.210 0.623 1.00 2.06 N ATOM 2886 CD2 HIS B 86 7.398 10.068 2.400 1.00 2.11 C ATOM 2887 CE1 HIS B 86 8.143 11.389 0.825 1.00 2.66 C ATOM 2888 NE2 HIS B 86 8.498 10.710 1.895 1.00 2.68 N ATOM 0 H HIS B 86 2.342 9.743 1.675 1.00 0.44 H new ATOM 0 HA HIS B 86 4.240 11.612 2.887 1.00 0.59 H new ATOM 0 HB2 HIS B 86 4.795 9.210 2.474 1.00 0.69 H new ATOM 0 HB3 HIS B 86 4.613 9.481 0.752 1.00 0.69 H new ATOM 0 HD2 HIS B 86 7.374 9.433 3.273 1.00 2.11 H new ATOM 0 HE1 HIS B 86 8.799 11.992 0.214 1.00 2.66 H new ATOM 0 HE2 HIS B 86 9.440 10.668 2.285 1.00 2.68 H new ATOM 2897 N TYR B 87 3.250 11.921 -0.242 1.00 0.58 N ATOM 2898 CA TYR B 87 3.199 12.859 -1.374 1.00 0.65 C ATOM 2899 C TYR B 87 2.009 13.807 -1.213 1.00 0.62 C ATOM 2900 O TYR B 87 1.456 14.283 -2.197 1.00 0.66 O ATOM 2901 CB TYR B 87 3.130 12.131 -2.718 1.00 0.69 C ATOM 2902 CG TYR B 87 3.910 12.808 -3.825 1.00 0.87 C ATOM 2903 CD1 TYR B 87 5.257 12.529 -4.016 1.00 1.63 C ATOM 2904 CD2 TYR B 87 3.301 13.714 -4.684 1.00 1.43 C ATOM 2905 CE1 TYR B 87 5.975 13.132 -5.030 1.00 1.80 C ATOM 2906 CE2 TYR B 87 4.013 14.325 -5.700 1.00 1.54 C ATOM 2907 CZ TYR B 87 5.350 14.030 -5.868 1.00 1.29 C ATOM 2908 OH TYR B 87 6.061 14.627 -6.885 1.00 1.51 O ATOM 0 H TYR B 87 2.713 11.066 -0.387 1.00 0.58 H new ATOM 0 HA TYR B 87 4.123 13.438 -1.370 1.00 0.65 H new ATOM 0 HB2 TYR B 87 3.507 11.116 -2.590 1.00 0.69 H new ATOM 0 HB3 TYR B 87 2.086 12.047 -3.021 1.00 0.69 H new ATOM 0 HD1 TYR B 87 5.752 11.828 -3.360 1.00 1.63 H new ATOM 0 HD2 TYR B 87 2.254 13.945 -4.556 1.00 1.43 H new ATOM 0 HE1 TYR B 87 7.021 12.901 -5.166 1.00 1.80 H new ATOM 0 HE2 TYR B 87 3.525 15.029 -6.358 1.00 1.54 H new ATOM 0 HH TYR B 87 5.473 15.232 -7.384 1.00 1.51 H new ATOM 2918 N HIS B 88 1.571 13.935 0.040 1.00 0.59 N ATOM 2919 CA HIS B 88 0.361 14.665 0.486 1.00 0.62 C ATOM 2920 C HIS B 88 0.127 16.087 -0.094 1.00 0.70 C ATOM 2921 O HIS B 88 -0.606 16.871 0.505 1.00 0.76 O ATOM 2922 CB HIS B 88 0.390 14.754 2.020 1.00 0.65 C ATOM 2923 CG HIS B 88 1.483 15.614 2.587 1.00 1.54 C ATOM 2924 ND1 HIS B 88 2.829 15.544 2.463 1.00 2.37 N flip ATOM 2925 CD2 HIS B 88 1.234 16.685 3.413 1.00 2.40 C flip ATOM 2926 CE1 HIS B 88 3.361 16.566 3.206 1.00 3.26 C flip ATOM 2927 NE2 HIS B 88 2.377 17.240 3.768 1.00 3.27 N flip ATOM 0 H HIS B 88 2.071 13.512 0.822 1.00 0.59 H new ATOM 0 HA HIS B 88 -0.471 14.081 0.093 1.00 0.62 H new ATOM 0 HB2 HIS B 88 -0.570 15.139 2.364 1.00 0.65 H new ATOM 0 HB3 HIS B 88 0.494 13.747 2.425 1.00 0.65 H new ATOM 0 HD1 HIS B 88 3.351 14.858 1.918 1.00 2.37 H new ATOM 0 HD2 HIS B 88 0.255 17.020 3.723 1.00 2.40 H new ATOM 0 HE1 HIS B 88 4.413 16.783 3.313 1.00 3.26 H new ATOM 2936 N THR B 89 0.727 16.430 -1.221 1.00 0.73 N ATOM 2937 CA THR B 89 0.531 17.745 -1.830 1.00 0.81 C ATOM 2938 C THR B 89 -0.934 17.983 -2.258 1.00 0.72 C ATOM 2939 O THR B 89 -1.495 19.045 -1.984 1.00 1.05 O ATOM 2940 CB THR B 89 1.486 17.953 -3.033 1.00 0.97 C ATOM 2941 OG1 THR B 89 1.133 19.138 -3.754 1.00 1.27 O ATOM 2942 CG2 THR B 89 1.474 16.755 -3.974 1.00 0.90 C ATOM 0 H THR B 89 1.357 15.817 -1.738 1.00 0.73 H new ATOM 0 HA THR B 89 0.770 18.481 -1.063 1.00 0.81 H new ATOM 0 HB THR B 89 2.494 18.060 -2.633 1.00 0.97 H new ATOM 0 HG1 THR B 89 1.746 19.256 -4.509 1.00 1.27 H new ATOM 0 HG21 THR B 89 2.155 16.938 -4.805 1.00 0.90 H new ATOM 0 HG22 THR B 89 1.793 15.864 -3.433 1.00 0.90 H new ATOM 0 HG23 THR B 89 0.465 16.605 -4.359 1.00 0.90 H new ATOM 2950 N HIS B 90 -1.560 17.001 -2.913 1.00 0.66 N ATOM 2951 CA HIS B 90 -2.983 17.109 -3.280 1.00 0.65 C ATOM 2952 C HIS B 90 -3.678 15.772 -3.174 1.00 0.94 C ATOM 2953 O HIS B 90 -4.725 15.540 -3.781 1.00 1.78 O ATOM 2954 CB HIS B 90 -3.197 17.704 -4.680 1.00 0.91 C ATOM 2955 CG HIS B 90 -2.402 17.066 -5.780 1.00 1.72 C ATOM 2956 ND1 HIS B 90 -1.132 17.285 -6.195 1.00 2.44 N flip ATOM 2957 CD2 HIS B 90 -2.914 16.101 -6.621 1.00 2.68 C flip ATOM 2958 CE1 HIS B 90 -0.907 16.460 -7.266 1.00 3.32 C flip ATOM 2959 NE2 HIS B 90 -1.995 15.757 -7.504 1.00 3.47 N flip ATOM 0 H HIS B 90 -1.114 16.130 -3.199 1.00 0.66 H new ATOM 0 HA HIS B 90 -3.426 17.800 -2.563 1.00 0.65 H new ATOM 0 HB2 HIS B 90 -4.255 17.629 -4.930 1.00 0.91 H new ATOM 0 HB3 HIS B 90 -2.951 18.765 -4.646 1.00 0.91 H new ATOM 0 HD2 HIS B 90 -3.911 15.690 -6.566 1.00 2.68 H new ATOM 0 HE1 HIS B 90 0.015 16.397 -7.825 1.00 3.32 H new ATOM 0 HE2 HIS B 90 -2.108 15.065 -8.244 1.00 3.47 H new