USER MOD reduce.3.24.130724 H: found=0, std=0, add=727, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 728 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 93 TYR OH : rot 30:sc= -0.0409 USER MOD Set 1.2: A 97 GLN : amide:sc= -5.12! C(o=-5.2!,f=-2.2!) USER MOD Set 2.1: A 38 ASN : amide:sc= 1.22 K(o=1.8,f=0.27) USER MOD Set 2.2: A 40 TYR OH : rot -138:sc= 0.606 USER MOD Set 3.1: A 13 ASN : amide:sc=-0.000446 K(o=-0.0037,f=0.97) USER MOD Set 3.2: A 18 THR OG1 : rot 180:sc=-0.00324 USER MOD Set 4.1: A 3 THR OG1 : rot 180:sc= 0.616 USER MOD Set 4.2: A 26 THR OG1 : rot -53:sc= 0.683 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ -115:sc= -0.149 (180deg=-1.17) USER MOD Single : A 11 THR OG1 : rot 45:sc= 0.0254 USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 MET CE :methyl -126:sc= -1.76 (180deg=-2.11) USER MOD Single : A 24 SER OG : rot 180:sc= -0.803 USER MOD Single : A 25 GLN : amide:sc= 0.146 K(o=0.15,f=-0.74) USER MOD Single : A 29 LYS NZ :NH3+ 142:sc= 0.859 (180deg=-0.252!) USER MOD Single : A 30 LYS NZ :NH3+ -164:sc= -0.0186 (180deg=-0.295) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 ASN : amide:sc= 0 X(o=0,f=-0.43) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 ASN : amide:sc= -1.14 K(o=-1.1,f=-3.2!) USER MOD Single : A 57 TYR OH : rot 180:sc= -0.291 USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot -21:sc= 1.2 USER MOD Single : A 63 LYS NZ :NH3+ 166:sc= 1.27 (180deg=1.07) USER MOD Single : A 65 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 66 ASN : amide:sc= -1.89! C(o=-1.9!,f=-4.3!) USER MOD Single : A 67 LYS NZ :NH3+ -170:sc= 0.292 (180deg=-0.273) USER MOD Single : A 70 HIS : no HE2:sc= 0.292 K(o=0.29,f=-6.1!) USER MOD Single : A 72 SER OG : rot 74:sc= 0.446 USER MOD Single : A 75 SER OG : rot -99:sc= 0.307 USER MOD Single : A 76 ASN : amide:sc= -0.013 X(o=-0.013,f=-0.33) USER MOD Single : A 80 ASN : amide:sc= 0 K(o=0,f=-0.78) USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 85 LYS NZ :NH3+ 153:sc= 2.34 (180deg=1.78) USER MOD Single : A 86 ASN : amide:sc= -0.618 K(o=-0.62,f=-9!) USER MOD Single : A 96 LYS NZ :NH3+ -172:sc= -0.0034 (180deg=-0.123) USER MOD ----------------------------------------------------------------- ATOM 20 N PHE A 2 -8.148 -1.416 2.681 1.00 0.00 N ATOM 21 CA PHE A 2 -9.378 -2.180 2.846 1.00 0.00 C ATOM 22 C PHE A 2 -10.568 -1.231 2.857 1.00 0.00 C ATOM 23 O PHE A 2 -10.823 -0.551 3.851 1.00 0.00 O ATOM 24 CB PHE A 2 -9.347 -2.997 4.139 1.00 0.00 C ATOM 25 CG PHE A 2 -8.247 -4.020 4.189 1.00 0.00 C ATOM 26 CD1 PHE A 2 -8.347 -5.201 3.472 1.00 0.00 C ATOM 27 CD2 PHE A 2 -7.113 -3.800 4.956 1.00 0.00 C ATOM 28 CE1 PHE A 2 -7.339 -6.145 3.519 1.00 0.00 C ATOM 29 CE2 PHE A 2 -6.101 -4.740 5.006 1.00 0.00 C ATOM 30 CZ PHE A 2 -6.215 -5.914 4.287 1.00 0.00 C ATOM 0 HA PHE A 2 -9.471 -2.874 2.010 1.00 0.00 H new ATOM 0 HB2 PHE A 2 -9.236 -2.317 4.984 1.00 0.00 H new ATOM 0 HB3 PHE A 2 -10.305 -3.502 4.261 1.00 0.00 H new ATOM 0 HD1 PHE A 2 -9.224 -5.386 2.869 1.00 0.00 H new ATOM 0 HD2 PHE A 2 -7.020 -2.884 5.521 1.00 0.00 H new ATOM 0 HE1 PHE A 2 -7.430 -7.062 2.956 1.00 0.00 H new ATOM 0 HE2 PHE A 2 -5.222 -4.557 5.606 1.00 0.00 H new ATOM 0 HZ PHE A 2 -5.426 -6.650 4.326 1.00 0.00 H new ATOM 40 N THR A 3 -11.289 -1.178 1.753 1.00 0.00 N ATOM 41 CA THR A 3 -12.364 -0.217 1.609 1.00 0.00 C ATOM 42 C THR A 3 -13.722 -0.908 1.559 1.00 0.00 C ATOM 43 O THR A 3 -13.921 -1.874 0.817 1.00 0.00 O ATOM 44 CB THR A 3 -12.154 0.648 0.352 1.00 0.00 C ATOM 45 OG1 THR A 3 -10.893 1.328 0.443 1.00 0.00 O ATOM 46 CG2 THR A 3 -13.265 1.667 0.180 1.00 0.00 C ATOM 0 H THR A 3 -11.150 -1.787 0.946 1.00 0.00 H new ATOM 0 HA THR A 3 -12.349 0.431 2.485 1.00 0.00 H new ATOM 0 HB THR A 3 -12.165 -0.013 -0.515 1.00 0.00 H new ATOM 0 HG1 THR A 3 -10.759 1.877 -0.358 1.00 0.00 H new ATOM 0 HG21 THR A 3 -13.081 2.258 -0.717 1.00 0.00 H new ATOM 0 HG22 THR A 3 -14.220 1.151 0.085 1.00 0.00 H new ATOM 0 HG23 THR A 3 -13.293 2.325 1.048 1.00 0.00 H new ATOM 54 N ALA A 4 -14.643 -0.417 2.373 1.00 0.00 N ATOM 55 CA ALA A 4 -15.988 -0.955 2.426 1.00 0.00 C ATOM 56 C ALA A 4 -16.987 0.080 1.931 1.00 0.00 C ATOM 57 O ALA A 4 -16.793 1.279 2.122 1.00 0.00 O ATOM 58 CB ALA A 4 -16.331 -1.385 3.843 1.00 0.00 C ATOM 0 H ALA A 4 -14.478 0.361 3.011 1.00 0.00 H new ATOM 0 HA ALA A 4 -16.040 -1.829 1.777 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -17.344 -1.787 3.866 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -15.629 -2.152 4.171 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -16.266 -0.525 4.510 1.00 0.00 H new ATOM 64 N LYS A 5 -18.038 -0.384 1.281 1.00 0.00 N ATOM 65 CA LYS A 5 -19.074 0.501 0.780 1.00 0.00 C ATOM 66 C LYS A 5 -20.451 -0.048 1.122 1.00 0.00 C ATOM 67 O LYS A 5 -20.738 -1.222 0.879 1.00 0.00 O ATOM 68 CB LYS A 5 -18.928 0.681 -0.734 1.00 0.00 C ATOM 69 CG LYS A 5 -20.077 1.444 -1.378 1.00 0.00 C ATOM 70 CD LYS A 5 -19.815 1.733 -2.851 1.00 0.00 C ATOM 71 CE LYS A 5 -19.542 0.467 -3.643 1.00 0.00 C ATOM 72 NZ LYS A 5 -19.474 0.731 -5.103 1.00 0.00 N ATOM 0 H LYS A 5 -18.197 -1.373 1.087 1.00 0.00 H new ATOM 0 HA LYS A 5 -18.964 1.475 1.258 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -17.995 1.207 -0.939 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -18.850 -0.301 -1.201 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -20.996 0.866 -1.280 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -20.232 2.383 -0.846 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -20.676 2.248 -3.277 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -18.963 2.407 -2.942 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -18.603 0.026 -3.310 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -20.326 -0.263 -3.442 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -19.286 -0.158 -5.608 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -20.379 1.128 -5.426 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -18.709 1.408 -5.298 1.00 0.00 H new ATOM 86 N LEU A 6 -21.291 0.798 1.702 1.00 0.00 N ATOM 87 CA LEU A 6 -22.652 0.410 2.045 1.00 0.00 C ATOM 88 C LEU A 6 -23.448 0.185 0.762 1.00 0.00 C ATOM 89 O LEU A 6 -23.594 1.095 -0.056 1.00 0.00 O ATOM 90 CB LEU A 6 -23.293 1.501 2.926 1.00 0.00 C ATOM 91 CG LEU A 6 -24.638 1.156 3.591 1.00 0.00 C ATOM 92 CD1 LEU A 6 -25.786 1.234 2.596 1.00 0.00 C ATOM 93 CD2 LEU A 6 -24.587 -0.225 4.232 1.00 0.00 C ATOM 0 H LEU A 6 -21.053 1.760 1.945 1.00 0.00 H new ATOM 0 HA LEU A 6 -22.649 -0.520 2.613 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -22.584 1.764 3.711 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -23.435 2.392 2.314 1.00 0.00 H new ATOM 0 HG LEU A 6 -24.817 1.896 4.371 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -26.721 0.985 3.098 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -25.849 2.244 2.192 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -25.612 0.529 1.783 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -25.548 -0.447 4.695 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -24.371 -0.973 3.469 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -23.805 -0.245 4.991 1.00 0.00 H new ATOM 105 N ILE A 7 -23.936 -1.037 0.577 1.00 0.00 N ATOM 106 CA ILE A 7 -24.646 -1.389 -0.644 1.00 0.00 C ATOM 107 C ILE A 7 -26.137 -1.583 -0.390 1.00 0.00 C ATOM 108 O ILE A 7 -26.955 -1.408 -1.291 1.00 0.00 O ATOM 109 CB ILE A 7 -24.063 -2.668 -1.290 1.00 0.00 C ATOM 110 CG1 ILE A 7 -24.215 -3.877 -0.359 1.00 0.00 C ATOM 111 CG2 ILE A 7 -22.605 -2.455 -1.647 1.00 0.00 C ATOM 112 CD1 ILE A 7 -23.726 -5.180 -0.958 1.00 0.00 C ATOM 0 H ILE A 7 -23.853 -1.796 1.254 1.00 0.00 H new ATOM 0 HA ILE A 7 -24.513 -0.555 -1.333 1.00 0.00 H new ATOM 0 HB ILE A 7 -24.624 -2.875 -2.201 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -23.666 -3.684 0.563 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -25.265 -3.985 -0.088 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -22.205 -3.362 -2.101 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -22.520 -1.628 -2.352 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -22.040 -2.221 -0.745 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -23.867 -5.987 -0.239 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -24.291 -5.399 -1.864 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -22.667 -5.093 -1.203 1.00 0.00 H new ATOM 124 N LYS A 8 -26.489 -1.932 0.839 1.00 0.00 N ATOM 125 CA LYS A 8 -27.880 -2.195 1.180 1.00 0.00 C ATOM 126 C LYS A 8 -28.351 -1.283 2.307 1.00 0.00 C ATOM 127 O LYS A 8 -28.103 -1.548 3.483 1.00 0.00 O ATOM 128 CB LYS A 8 -28.061 -3.669 1.559 1.00 0.00 C ATOM 129 CG LYS A 8 -27.847 -4.612 0.385 1.00 0.00 C ATOM 130 CD LYS A 8 -27.997 -6.072 0.782 1.00 0.00 C ATOM 131 CE LYS A 8 -27.781 -6.989 -0.414 1.00 0.00 C ATOM 132 NZ LYS A 8 -27.886 -8.426 -0.053 1.00 0.00 N ATOM 0 H LYS A 8 -25.834 -2.039 1.614 1.00 0.00 H new ATOM 0 HA LYS A 8 -28.494 -1.982 0.305 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -27.361 -3.923 2.355 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -29.065 -3.816 1.958 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -28.563 -4.377 -0.402 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -26.852 -4.451 -0.030 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -27.279 -6.315 1.565 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -28.991 -6.239 1.198 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -28.516 -6.756 -1.184 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -26.798 -6.796 -0.843 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -27.731 -9.009 -0.900 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -27.168 -8.658 0.662 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -28.833 -8.619 0.332 1.00 0.00 H new ATOM 146 N GLY A 9 -29.006 -0.190 1.932 1.00 0.00 N ATOM 147 CA GLY A 9 -29.521 0.748 2.907 1.00 0.00 C ATOM 148 C GLY A 9 -29.515 2.170 2.381 1.00 0.00 C ATOM 149 O GLY A 9 -30.162 2.468 1.380 1.00 0.00 O ATOM 0 H GLY A 9 -29.190 0.063 0.961 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -30.538 0.466 3.180 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -28.921 0.694 3.815 1.00 0.00 H new ATOM 153 N LYS A 10 -28.765 3.038 3.050 1.00 0.00 N ATOM 154 CA LYS A 10 -28.653 4.439 2.663 1.00 0.00 C ATOM 155 C LYS A 10 -27.640 5.124 3.565 1.00 0.00 C ATOM 156 O LYS A 10 -26.644 5.671 3.101 1.00 0.00 O ATOM 157 CB LYS A 10 -29.998 5.164 2.777 1.00 0.00 C ATOM 158 CG LYS A 10 -29.989 6.554 2.157 1.00 0.00 C ATOM 159 CD LYS A 10 -31.177 7.407 2.596 1.00 0.00 C ATOM 160 CE LYS A 10 -32.520 6.793 2.229 1.00 0.00 C ATOM 161 NZ LYS A 10 -32.999 5.825 3.251 1.00 0.00 N ATOM 0 H LYS A 10 -28.218 2.791 3.875 1.00 0.00 H new ATOM 0 HA LYS A 10 -28.332 4.480 1.622 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -30.768 4.563 2.293 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -30.271 5.245 3.829 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -29.063 7.062 2.428 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -29.995 6.462 1.071 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -31.133 7.552 3.675 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -31.098 8.393 2.138 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -33.258 7.586 2.109 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -32.435 6.289 1.266 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -33.034 4.872 2.837 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -32.348 5.826 4.062 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -33.950 6.099 3.570 1.00 0.00 H new ATOM 175 N THR A 11 -27.909 5.074 4.860 1.00 0.00 N ATOM 176 CA THR A 11 -27.041 5.667 5.864 1.00 0.00 C ATOM 177 C THR A 11 -26.969 4.772 7.095 1.00 0.00 C ATOM 178 O THR A 11 -27.987 4.504 7.734 1.00 0.00 O ATOM 179 CB THR A 11 -27.553 7.065 6.273 1.00 0.00 C ATOM 180 OG1 THR A 11 -28.985 7.042 6.390 1.00 0.00 O ATOM 181 CG2 THR A 11 -27.136 8.123 5.262 1.00 0.00 C ATOM 0 H THR A 11 -28.737 4.620 5.245 1.00 0.00 H new ATOM 0 HA THR A 11 -26.045 5.769 5.432 1.00 0.00 H new ATOM 0 HB THR A 11 -27.109 7.322 7.235 1.00 0.00 H new ATOM 0 HG1 THR A 11 -29.261 6.237 6.876 1.00 0.00 H new ATOM 0 HG21 THR A 11 -27.512 9.096 5.578 1.00 0.00 H new ATOM 0 HG22 THR A 11 -26.048 8.157 5.198 1.00 0.00 H new ATOM 0 HG23 THR A 11 -27.549 7.875 4.284 1.00 0.00 H new ATOM 189 N TYR A 12 -25.778 4.285 7.409 1.00 0.00 N ATOM 190 CA TYR A 12 -25.594 3.433 8.575 1.00 0.00 C ATOM 191 C TYR A 12 -24.341 3.836 9.342 1.00 0.00 C ATOM 192 O TYR A 12 -23.280 4.048 8.754 1.00 0.00 O ATOM 193 CB TYR A 12 -25.511 1.958 8.161 1.00 0.00 C ATOM 194 CG TYR A 12 -25.359 1.007 9.332 1.00 0.00 C ATOM 195 CD1 TYR A 12 -26.397 0.804 10.231 1.00 0.00 C ATOM 196 CD2 TYR A 12 -24.171 0.320 9.541 1.00 0.00 C ATOM 197 CE1 TYR A 12 -26.254 -0.057 11.302 1.00 0.00 C ATOM 198 CE2 TYR A 12 -24.021 -0.541 10.611 1.00 0.00 C ATOM 199 CZ TYR A 12 -25.064 -0.727 11.487 1.00 0.00 C ATOM 200 OH TYR A 12 -24.916 -1.582 12.554 1.00 0.00 O ATOM 0 H TYR A 12 -24.927 4.464 6.875 1.00 0.00 H new ATOM 0 HA TYR A 12 -26.457 3.561 9.228 1.00 0.00 H new ATOM 0 HB2 TYR A 12 -26.410 1.694 7.604 1.00 0.00 H new ATOM 0 HB3 TYR A 12 -24.667 1.826 7.484 1.00 0.00 H new ATOM 0 HD1 TYR A 12 -27.331 1.327 10.091 1.00 0.00 H new ATOM 0 HD2 TYR A 12 -23.349 0.461 8.855 1.00 0.00 H new ATOM 0 HE1 TYR A 12 -27.072 -0.204 11.992 1.00 0.00 H new ATOM 0 HE2 TYR A 12 -23.089 -1.066 10.759 1.00 0.00 H new ATOM 0 HH TYR A 12 -24.018 -1.974 12.537 1.00 0.00 H new ATOM 210 N ASN A 13 -24.476 3.946 10.655 1.00 0.00 N ATOM 211 CA ASN A 13 -23.366 4.334 11.513 1.00 0.00 C ATOM 212 C ASN A 13 -22.703 3.114 12.125 1.00 0.00 C ATOM 213 O ASN A 13 -23.292 2.438 12.971 1.00 0.00 O ATOM 214 CB ASN A 13 -23.844 5.261 12.634 1.00 0.00 C ATOM 215 CG ASN A 13 -24.317 6.609 12.131 1.00 0.00 C ATOM 216 OD1 ASN A 13 -25.485 6.779 11.775 1.00 0.00 O ATOM 217 ND2 ASN A 13 -23.420 7.580 12.116 1.00 0.00 N ATOM 0 H ASN A 13 -25.349 3.771 11.152 1.00 0.00 H new ATOM 0 HA ASN A 13 -22.642 4.862 10.893 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -24.657 4.777 13.176 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -23.031 5.410 13.345 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -23.684 8.514 11.801 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -22.464 7.396 12.419 1.00 0.00 H new ATOM 224 N VAL A 14 -21.489 2.825 11.697 1.00 0.00 N ATOM 225 CA VAL A 14 -20.697 1.775 12.313 1.00 0.00 C ATOM 226 C VAL A 14 -19.791 2.398 13.359 1.00 0.00 C ATOM 227 O VAL A 14 -18.694 2.866 13.044 1.00 0.00 O ATOM 228 CB VAL A 14 -19.848 0.986 11.290 1.00 0.00 C ATOM 229 CG1 VAL A 14 -19.074 -0.129 11.979 1.00 0.00 C ATOM 230 CG2 VAL A 14 -20.720 0.416 10.186 1.00 0.00 C ATOM 0 H VAL A 14 -21.028 3.303 10.923 1.00 0.00 H new ATOM 0 HA VAL A 14 -21.385 1.062 12.767 1.00 0.00 H new ATOM 0 HB VAL A 14 -19.135 1.678 10.842 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -18.483 -0.672 11.241 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -18.411 0.299 12.731 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -19.773 -0.814 12.459 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -20.099 -0.134 9.479 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -21.461 -0.256 10.618 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -21.227 1.229 9.667 1.00 0.00 H new ATOM 240 N MET A 15 -20.280 2.442 14.593 1.00 0.00 N ATOM 241 CA MET A 15 -19.574 3.074 15.704 1.00 0.00 C ATOM 242 C MET A 15 -19.380 4.571 15.471 1.00 0.00 C ATOM 243 O MET A 15 -20.213 5.380 15.882 1.00 0.00 O ATOM 244 CB MET A 15 -18.229 2.390 15.974 1.00 0.00 C ATOM 245 CG MET A 15 -18.330 1.255 16.982 1.00 0.00 C ATOM 246 SD MET A 15 -16.740 0.474 17.324 1.00 0.00 S ATOM 247 CE MET A 15 -16.396 -0.303 15.750 1.00 0.00 C ATOM 0 H MET A 15 -21.180 2.039 14.853 1.00 0.00 H new ATOM 0 HA MET A 15 -20.199 2.953 16.589 1.00 0.00 H new ATOM 0 HB2 MET A 15 -17.831 2.001 15.037 1.00 0.00 H new ATOM 0 HB3 MET A 15 -17.518 3.131 16.340 1.00 0.00 H new ATOM 0 HG2 MET A 15 -18.748 1.639 17.913 1.00 0.00 H new ATOM 0 HG3 MET A 15 -19.025 0.504 16.607 1.00 0.00 H new ATOM 0 HE1 MET A 15 -16.199 -1.364 15.903 1.00 0.00 H new ATOM 0 HE2 MET A 15 -17.256 -0.185 15.091 1.00 0.00 H new ATOM 0 HE3 MET A 15 -15.523 0.166 15.296 1.00 0.00 H new ATOM 257 N GLY A 16 -18.304 4.934 14.793 1.00 0.00 N ATOM 258 CA GLY A 16 -18.003 6.336 14.589 1.00 0.00 C ATOM 259 C GLY A 16 -17.850 6.689 13.127 1.00 0.00 C ATOM 260 O GLY A 16 -17.363 7.765 12.796 1.00 0.00 O ATOM 0 H GLY A 16 -17.634 4.285 14.380 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -18.798 6.942 15.024 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -17.084 6.588 15.118 1.00 0.00 H new ATOM 264 N ILE A 17 -18.253 5.780 12.248 1.00 0.00 N ATOM 265 CA ILE A 17 -18.161 6.022 10.817 1.00 0.00 C ATOM 266 C ILE A 17 -19.545 5.948 10.172 1.00 0.00 C ATOM 267 O ILE A 17 -20.258 4.957 10.335 1.00 0.00 O ATOM 268 CB ILE A 17 -17.221 5.016 10.102 1.00 0.00 C ATOM 269 CG1 ILE A 17 -15.835 4.974 10.758 1.00 0.00 C ATOM 270 CG2 ILE A 17 -17.087 5.380 8.632 1.00 0.00 C ATOM 271 CD1 ILE A 17 -15.713 3.970 11.881 1.00 0.00 C ATOM 0 H ILE A 17 -18.645 4.873 12.501 1.00 0.00 H new ATOM 0 HA ILE A 17 -17.741 7.021 10.700 1.00 0.00 H new ATOM 0 HB ILE A 17 -17.665 4.025 10.192 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -15.091 4.742 9.996 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -15.598 5.965 11.144 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -16.425 4.668 8.140 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -18.069 5.350 8.159 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -16.671 6.384 8.542 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -14.703 4.003 12.291 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -16.431 4.212 12.665 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -15.917 2.970 11.499 1.00 0.00 H new ATOM 283 N THR A 18 -19.924 7.004 9.462 1.00 0.00 N ATOM 284 CA THR A 18 -21.183 7.018 8.729 1.00 0.00 C ATOM 285 C THR A 18 -20.983 6.488 7.313 1.00 0.00 C ATOM 286 O THR A 18 -20.357 7.142 6.477 1.00 0.00 O ATOM 287 CB THR A 18 -21.786 8.438 8.649 1.00 0.00 C ATOM 288 OG1 THR A 18 -21.981 8.971 9.965 1.00 0.00 O ATOM 289 CG2 THR A 18 -23.118 8.421 7.910 1.00 0.00 C ATOM 0 H THR A 18 -19.377 7.861 9.379 1.00 0.00 H new ATOM 0 HA THR A 18 -21.874 6.376 9.274 1.00 0.00 H new ATOM 0 HB THR A 18 -21.086 9.069 8.101 1.00 0.00 H new ATOM 0 HG1 THR A 18 -22.362 9.872 9.900 1.00 0.00 H new ATOM 0 HG21 THR A 18 -23.523 9.432 7.867 1.00 0.00 H new ATOM 0 HG22 THR A 18 -22.968 8.047 6.897 1.00 0.00 H new ATOM 0 HG23 THR A 18 -23.818 7.772 8.437 1.00 0.00 H new ATOM 297 N PHE A 19 -21.509 5.303 7.057 1.00 0.00 N ATOM 298 CA PHE A 19 -21.451 4.712 5.731 1.00 0.00 C ATOM 299 C PHE A 19 -22.705 5.066 4.949 1.00 0.00 C ATOM 300 O PHE A 19 -23.823 4.927 5.450 1.00 0.00 O ATOM 301 CB PHE A 19 -21.308 3.193 5.814 1.00 0.00 C ATOM 302 CG PHE A 19 -19.963 2.736 6.300 1.00 0.00 C ATOM 303 CD1 PHE A 19 -19.698 2.631 7.653 1.00 0.00 C ATOM 304 CD2 PHE A 19 -18.967 2.401 5.398 1.00 0.00 C ATOM 305 CE1 PHE A 19 -18.465 2.202 8.101 1.00 0.00 C ATOM 306 CE2 PHE A 19 -17.730 1.972 5.838 1.00 0.00 C ATOM 307 CZ PHE A 19 -17.480 1.873 7.192 1.00 0.00 C ATOM 0 H PHE A 19 -21.983 4.728 7.754 1.00 0.00 H new ATOM 0 HA PHE A 19 -20.577 5.114 5.218 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -22.077 2.801 6.480 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -21.492 2.766 4.828 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -20.465 2.888 8.368 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -19.160 2.476 4.338 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -18.271 2.124 9.161 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -16.961 1.715 5.125 1.00 0.00 H new ATOM 0 HZ PHE A 19 -16.514 1.538 7.540 1.00 0.00 H new ATOM 317 N ARG A 20 -22.515 5.531 3.729 1.00 0.00 N ATOM 318 CA ARG A 20 -23.627 5.897 2.873 1.00 0.00 C ATOM 319 C ARG A 20 -23.685 4.977 1.665 1.00 0.00 C ATOM 320 O ARG A 20 -22.648 4.553 1.152 1.00 0.00 O ATOM 321 CB ARG A 20 -23.500 7.353 2.421 1.00 0.00 C ATOM 322 CG ARG A 20 -23.701 8.363 3.539 1.00 0.00 C ATOM 323 CD ARG A 20 -23.419 9.778 3.063 1.00 0.00 C ATOM 324 NE ARG A 20 -23.851 10.785 4.030 1.00 0.00 N ATOM 325 CZ ARG A 20 -23.231 11.948 4.223 1.00 0.00 C ATOM 326 NH1 ARG A 20 -22.090 12.214 3.601 1.00 0.00 N ATOM 327 NH2 ARG A 20 -23.743 12.838 5.060 1.00 0.00 N ATOM 0 H ARG A 20 -21.596 5.665 3.307 1.00 0.00 H new ATOM 0 HA ARG A 20 -24.550 5.790 3.442 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -22.514 7.503 1.982 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -24.231 7.545 1.635 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -24.724 8.299 3.910 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -23.043 8.120 4.374 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -22.351 9.890 2.877 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -23.927 9.948 2.114 1.00 0.00 H new ATOM 0 HE ARG A 20 -24.678 10.585 4.592 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -21.681 11.525 2.969 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -21.622 13.107 3.754 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -24.611 12.632 5.555 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -23.270 13.729 5.209 1.00 0.00 H new ATOM 341 N ALA A 21 -24.899 4.655 1.234 1.00 0.00 N ATOM 342 CA ALA A 21 -25.107 3.812 0.065 1.00 0.00 C ATOM 343 C ALA A 21 -24.412 4.392 -1.164 1.00 0.00 C ATOM 344 O ALA A 21 -24.759 5.478 -1.634 1.00 0.00 O ATOM 345 CB ALA A 21 -26.594 3.635 -0.208 1.00 0.00 C ATOM 0 H ALA A 21 -25.760 4.969 1.682 1.00 0.00 H new ATOM 0 HA ALA A 21 -24.669 2.837 0.275 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -26.730 3.002 -1.085 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -27.069 3.167 0.654 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -27.049 4.609 -0.389 1.00 0.00 H new ATOM 351 N GLY A 22 -23.422 3.668 -1.664 1.00 0.00 N ATOM 352 CA GLY A 22 -22.701 4.109 -2.843 1.00 0.00 C ATOM 353 C GLY A 22 -21.371 4.759 -2.511 1.00 0.00 C ATOM 354 O GLY A 22 -20.561 5.015 -3.403 1.00 0.00 O ATOM 0 H GLY A 22 -23.103 2.781 -1.274 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -22.529 3.255 -3.498 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -23.318 4.817 -3.397 1.00 0.00 H new ATOM 358 N VAL A 23 -21.135 5.014 -1.231 1.00 0.00 N ATOM 359 CA VAL A 23 -19.907 5.667 -0.797 1.00 0.00 C ATOM 360 C VAL A 23 -18.913 4.650 -0.248 1.00 0.00 C ATOM 361 O VAL A 23 -19.177 3.986 0.755 1.00 0.00 O ATOM 362 CB VAL A 23 -20.185 6.739 0.280 1.00 0.00 C ATOM 363 CG1 VAL A 23 -18.897 7.433 0.701 1.00 0.00 C ATOM 364 CG2 VAL A 23 -21.199 7.754 -0.227 1.00 0.00 C ATOM 0 H VAL A 23 -21.778 4.779 -0.475 1.00 0.00 H new ATOM 0 HA VAL A 23 -19.479 6.153 -1.674 1.00 0.00 H new ATOM 0 HB VAL A 23 -20.602 6.241 1.155 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -19.119 8.183 1.460 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -18.204 6.697 1.110 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -18.444 7.916 -0.165 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -21.383 8.501 0.545 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -20.809 8.243 -1.120 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -22.132 7.246 -0.469 1.00 0.00 H new ATOM 374 N SER A 24 -17.782 4.519 -0.926 1.00 0.00 N ATOM 375 CA SER A 24 -16.712 3.643 -0.479 1.00 0.00 C ATOM 376 C SER A 24 -15.821 4.366 0.527 1.00 0.00 C ATOM 377 O SER A 24 -15.472 5.534 0.335 1.00 0.00 O ATOM 378 CB SER A 24 -15.889 3.170 -1.680 1.00 0.00 C ATOM 379 OG SER A 24 -16.697 2.461 -2.606 1.00 0.00 O ATOM 0 H SER A 24 -17.582 5.014 -1.795 1.00 0.00 H new ATOM 0 HA SER A 24 -17.149 2.773 0.012 1.00 0.00 H new ATOM 0 HB2 SER A 24 -15.433 4.029 -2.173 1.00 0.00 H new ATOM 0 HB3 SER A 24 -15.076 2.530 -1.338 1.00 0.00 H new ATOM 0 HG SER A 24 -16.148 2.171 -3.364 1.00 0.00 H new ATOM 385 N GLN A 25 -15.463 3.675 1.601 1.00 0.00 N ATOM 386 CA GLN A 25 -14.655 4.259 2.664 1.00 0.00 C ATOM 387 C GLN A 25 -13.649 3.239 3.181 1.00 0.00 C ATOM 388 O GLN A 25 -14.016 2.110 3.511 1.00 0.00 O ATOM 389 CB GLN A 25 -15.548 4.732 3.817 1.00 0.00 C ATOM 390 CG GLN A 25 -16.514 5.844 3.438 1.00 0.00 C ATOM 391 CD GLN A 25 -17.481 6.175 4.555 1.00 0.00 C ATOM 392 OE1 GLN A 25 -17.828 5.319 5.361 1.00 0.00 O ATOM 393 NE2 GLN A 25 -17.913 7.422 4.620 1.00 0.00 N ATOM 0 H GLN A 25 -15.722 2.701 1.760 1.00 0.00 H new ATOM 0 HA GLN A 25 -14.119 5.116 2.257 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -16.118 3.882 4.193 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -14.915 5.078 4.634 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -15.949 6.738 3.174 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -17.075 5.548 2.552 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -17.601 8.106 3.931 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -18.558 7.700 5.360 1.00 0.00 H new ATOM 402 N THR A 26 -12.383 3.625 3.230 1.00 0.00 N ATOM 403 CA THR A 26 -11.340 2.750 3.737 1.00 0.00 C ATOM 404 C THR A 26 -11.449 2.621 5.256 1.00 0.00 C ATOM 405 O THR A 26 -11.503 3.623 5.973 1.00 0.00 O ATOM 406 CB THR A 26 -9.948 3.282 3.351 1.00 0.00 C ATOM 407 OG1 THR A 26 -9.941 3.640 1.961 1.00 0.00 O ATOM 408 CG2 THR A 26 -8.875 2.234 3.604 1.00 0.00 C ATOM 0 H THR A 26 -12.054 4.541 2.924 1.00 0.00 H new ATOM 0 HA THR A 26 -11.471 1.766 3.288 1.00 0.00 H new ATOM 0 HB THR A 26 -9.732 4.156 3.965 1.00 0.00 H new ATOM 0 HG1 THR A 26 -10.255 2.881 1.426 1.00 0.00 H new ATOM 0 HG21 THR A 26 -7.901 2.635 3.323 1.00 0.00 H new ATOM 0 HG22 THR A 26 -8.867 1.969 4.661 1.00 0.00 H new ATOM 0 HG23 THR A 26 -9.087 1.346 3.009 1.00 0.00 H new ATOM 416 N VAL A 27 -11.498 1.389 5.741 1.00 0.00 N ATOM 417 CA VAL A 27 -11.686 1.125 7.162 1.00 0.00 C ATOM 418 C VAL A 27 -10.489 0.370 7.733 1.00 0.00 C ATOM 419 O VAL A 27 -9.674 -0.167 6.981 1.00 0.00 O ATOM 420 CB VAL A 27 -12.970 0.301 7.420 1.00 0.00 C ATOM 421 CG1 VAL A 27 -14.186 1.003 6.843 1.00 0.00 C ATOM 422 CG2 VAL A 27 -12.847 -1.110 6.850 1.00 0.00 C ATOM 0 H VAL A 27 -11.410 0.550 5.167 1.00 0.00 H new ATOM 0 HA VAL A 27 -11.781 2.091 7.658 1.00 0.00 H new ATOM 0 HB VAL A 27 -13.098 0.218 8.499 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -15.077 0.405 7.036 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -14.297 1.982 7.310 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -14.058 1.127 5.768 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -13.765 -1.664 7.048 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -12.681 -1.055 5.774 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -12.007 -1.621 7.321 1.00 0.00 H new ATOM 432 N PRO A 28 -10.347 0.350 9.066 1.00 0.00 N ATOM 433 CA PRO A 28 -9.375 -0.512 9.739 1.00 0.00 C ATOM 434 C PRO A 28 -9.783 -1.978 9.617 1.00 0.00 C ATOM 435 O PRO A 28 -10.965 -2.281 9.444 1.00 0.00 O ATOM 436 CB PRO A 28 -9.426 -0.056 11.207 1.00 0.00 C ATOM 437 CG PRO A 28 -10.160 1.243 11.194 1.00 0.00 C ATOM 438 CD PRO A 28 -11.092 1.178 10.022 1.00 0.00 C ATOM 0 HA PRO A 28 -8.376 -0.435 9.310 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -9.938 -0.790 11.829 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -8.423 0.064 11.616 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -10.711 1.389 12.123 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -9.469 2.081 11.098 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -12.048 0.728 10.289 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -11.307 2.168 9.620 1.00 0.00 H new ATOM 446 N LYS A 29 -8.820 -2.885 9.718 1.00 0.00 N ATOM 447 CA LYS A 29 -9.095 -4.306 9.521 1.00 0.00 C ATOM 448 C LYS A 29 -10.052 -4.840 10.590 1.00 0.00 C ATOM 449 O LYS A 29 -10.751 -5.829 10.367 1.00 0.00 O ATOM 450 CB LYS A 29 -7.797 -5.115 9.502 1.00 0.00 C ATOM 451 CG LYS A 29 -7.971 -6.498 8.897 1.00 0.00 C ATOM 452 CD LYS A 29 -6.638 -7.204 8.714 1.00 0.00 C ATOM 453 CE LYS A 29 -6.799 -8.505 7.941 1.00 0.00 C ATOM 454 NZ LYS A 29 -7.632 -9.495 8.672 1.00 0.00 N ATOM 0 H LYS A 29 -7.847 -2.666 9.934 1.00 0.00 H new ATOM 0 HA LYS A 29 -9.581 -4.418 8.552 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -7.043 -4.569 8.936 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -7.422 -5.214 10.521 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -8.615 -7.098 9.540 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -8.473 -6.413 7.933 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -5.947 -6.548 8.185 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -6.197 -7.411 9.689 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -7.253 -8.296 6.972 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -5.816 -8.934 7.746 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -8.233 -10.010 7.997 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -7.015 -10.168 9.169 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -8.233 -9.001 9.363 1.00 0.00 H new ATOM 468 N LYS A 30 -10.090 -4.176 11.745 1.00 0.00 N ATOM 469 CA LYS A 30 -11.085 -4.484 12.772 1.00 0.00 C ATOM 470 C LYS A 30 -12.490 -4.393 12.190 1.00 0.00 C ATOM 471 O LYS A 30 -13.346 -5.236 12.459 1.00 0.00 O ATOM 472 CB LYS A 30 -10.972 -3.520 13.959 1.00 0.00 C ATOM 473 CG LYS A 30 -9.746 -3.740 14.826 1.00 0.00 C ATOM 474 CD LYS A 30 -9.716 -2.760 15.991 1.00 0.00 C ATOM 475 CE LYS A 30 -8.586 -3.074 16.958 1.00 0.00 C ATOM 476 NZ LYS A 30 -8.775 -4.392 17.620 1.00 0.00 N ATOM 0 H LYS A 30 -9.446 -3.424 11.992 1.00 0.00 H new ATOM 0 HA LYS A 30 -10.895 -5.499 13.122 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -10.957 -2.497 13.582 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -11.863 -3.619 14.578 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -9.744 -4.762 15.206 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -8.845 -3.622 14.224 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -9.599 -1.745 15.611 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -10.668 -2.794 16.520 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -7.637 -3.070 16.422 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -8.528 -2.292 17.715 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -8.154 -4.455 18.452 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -9.766 -4.491 17.920 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -8.537 -5.153 16.952 1.00 0.00 H new ATOM 490 N LEU A 31 -12.712 -3.375 11.372 1.00 0.00 N ATOM 491 CA LEU A 31 -14.012 -3.161 10.764 1.00 0.00 C ATOM 492 C LEU A 31 -14.163 -3.995 9.504 1.00 0.00 C ATOM 493 O LEU A 31 -15.276 -4.280 9.080 1.00 0.00 O ATOM 494 CB LEU A 31 -14.232 -1.681 10.452 1.00 0.00 C ATOM 495 CG LEU A 31 -14.383 -0.785 11.681 1.00 0.00 C ATOM 496 CD1 LEU A 31 -14.632 0.657 11.270 1.00 0.00 C ATOM 497 CD2 LEU A 31 -15.513 -1.291 12.565 1.00 0.00 C ATOM 0 H LEU A 31 -12.006 -2.685 11.115 1.00 0.00 H new ATOM 0 HA LEU A 31 -14.771 -3.477 11.479 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -13.393 -1.320 9.857 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -15.125 -1.583 9.835 1.00 0.00 H new ATOM 0 HG LEU A 31 -13.453 -0.819 12.249 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -14.736 1.276 12.161 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -13.792 1.016 10.675 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -15.546 0.714 10.679 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -15.610 -0.644 13.437 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -16.446 -1.284 12.002 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -15.293 -2.308 12.890 1.00 0.00 H new ATOM 509 N TYR A 32 -13.045 -4.394 8.914 1.00 0.00 N ATOM 510 CA TYR A 32 -13.083 -5.244 7.734 1.00 0.00 C ATOM 511 C TYR A 32 -13.697 -6.593 8.091 1.00 0.00 C ATOM 512 O TYR A 32 -14.591 -7.082 7.404 1.00 0.00 O ATOM 513 CB TYR A 32 -11.682 -5.430 7.144 1.00 0.00 C ATOM 514 CG TYR A 32 -11.679 -6.189 5.839 1.00 0.00 C ATOM 515 CD1 TYR A 32 -12.189 -5.616 4.683 1.00 0.00 C ATOM 516 CD2 TYR A 32 -11.174 -7.481 5.764 1.00 0.00 C ATOM 517 CE1 TYR A 32 -12.196 -6.306 3.488 1.00 0.00 C ATOM 518 CE2 TYR A 32 -11.176 -8.180 4.572 1.00 0.00 C ATOM 519 CZ TYR A 32 -11.689 -7.587 3.438 1.00 0.00 C ATOM 520 OH TYR A 32 -11.696 -8.278 2.247 1.00 0.00 O ATOM 0 H TYR A 32 -12.108 -4.145 9.230 1.00 0.00 H new ATOM 0 HA TYR A 32 -13.700 -4.760 6.977 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -11.228 -4.451 6.988 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -11.059 -5.959 7.865 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -12.587 -4.613 4.719 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -10.773 -7.947 6.652 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -12.596 -5.845 2.597 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -10.779 -9.183 4.529 1.00 0.00 H new ATOM 0 HH TYR A 32 -11.303 -9.166 2.381 1.00 0.00 H new ATOM 530 N GLU A 33 -13.230 -7.175 9.189 1.00 0.00 N ATOM 531 CA GLU A 33 -13.805 -8.419 9.689 1.00 0.00 C ATOM 532 C GLU A 33 -15.205 -8.176 10.242 1.00 0.00 C ATOM 533 O GLU A 33 -16.101 -9.011 10.090 1.00 0.00 O ATOM 534 CB GLU A 33 -12.924 -9.044 10.777 1.00 0.00 C ATOM 535 CG GLU A 33 -11.884 -10.022 10.248 1.00 0.00 C ATOM 536 CD GLU A 33 -10.738 -9.352 9.522 1.00 0.00 C ATOM 537 OE1 GLU A 33 -9.776 -8.926 10.196 1.00 0.00 O ATOM 538 OE2 GLU A 33 -10.768 -9.283 8.282 1.00 0.00 O ATOM 0 H GLU A 33 -12.459 -6.809 9.748 1.00 0.00 H new ATOM 0 HA GLU A 33 -13.863 -9.113 8.851 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -12.415 -8.247 11.320 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -13.562 -9.561 11.494 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -11.486 -10.602 11.081 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -12.370 -10.726 9.572 1.00 0.00 H new ATOM 545 N TYR A 34 -15.388 -7.025 10.875 1.00 0.00 N ATOM 546 CA TYR A 34 -16.667 -6.672 11.478 1.00 0.00 C ATOM 547 C TYR A 34 -17.755 -6.542 10.410 1.00 0.00 C ATOM 548 O TYR A 34 -18.894 -6.967 10.609 1.00 0.00 O ATOM 549 CB TYR A 34 -16.531 -5.364 12.261 1.00 0.00 C ATOM 550 CG TYR A 34 -17.650 -5.119 13.247 1.00 0.00 C ATOM 551 CD1 TYR A 34 -17.717 -5.837 14.434 1.00 0.00 C ATOM 552 CD2 TYR A 34 -18.629 -4.165 13.001 1.00 0.00 C ATOM 553 CE1 TYR A 34 -18.727 -5.613 15.347 1.00 0.00 C ATOM 554 CE2 TYR A 34 -19.645 -3.935 13.910 1.00 0.00 C ATOM 555 CZ TYR A 34 -19.688 -4.662 15.081 1.00 0.00 C ATOM 556 OH TYR A 34 -20.693 -4.433 15.995 1.00 0.00 O ATOM 0 H TYR A 34 -14.663 -6.316 10.985 1.00 0.00 H new ATOM 0 HA TYR A 34 -16.959 -7.468 12.163 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -15.582 -5.371 12.798 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -16.493 -4.533 11.557 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -16.966 -6.583 14.646 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -18.596 -3.594 12.085 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -18.764 -6.180 16.265 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -20.400 -3.191 13.704 1.00 0.00 H new ATOM 0 HH TYR A 34 -21.288 -3.731 15.658 1.00 0.00 H new ATOM 566 N LEU A 35 -17.395 -5.959 9.274 1.00 0.00 N ATOM 567 CA LEU A 35 -18.333 -5.798 8.171 1.00 0.00 C ATOM 568 C LEU A 35 -18.370 -7.053 7.306 1.00 0.00 C ATOM 569 O LEU A 35 -19.250 -7.210 6.468 1.00 0.00 O ATOM 570 CB LEU A 35 -17.978 -4.570 7.330 1.00 0.00 C ATOM 571 CG LEU A 35 -18.024 -3.236 8.084 1.00 0.00 C ATOM 572 CD1 LEU A 35 -17.709 -2.079 7.151 1.00 0.00 C ATOM 573 CD2 LEU A 35 -19.382 -3.039 8.745 1.00 0.00 C ATOM 0 H LEU A 35 -16.461 -5.590 9.092 1.00 0.00 H new ATOM 0 HA LEU A 35 -19.327 -5.645 8.591 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -16.977 -4.705 6.921 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -18.663 -4.516 6.484 1.00 0.00 H new ATOM 0 HG LEU A 35 -17.264 -3.260 8.865 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -17.747 -1.142 7.707 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -16.712 -2.211 6.731 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -18.442 -2.052 6.344 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -19.394 -2.087 9.275 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -20.161 -3.040 7.983 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -19.564 -3.849 9.451 1.00 0.00 H new ATOM 585 N ASN A 36 -17.415 -7.950 7.516 1.00 0.00 N ATOM 586 CA ASN A 36 -17.463 -9.267 6.891 1.00 0.00 C ATOM 587 C ASN A 36 -18.618 -10.057 7.496 1.00 0.00 C ATOM 588 O ASN A 36 -19.273 -10.852 6.823 1.00 0.00 O ATOM 589 CB ASN A 36 -16.143 -10.018 7.103 1.00 0.00 C ATOM 590 CG ASN A 36 -16.112 -11.369 6.408 1.00 0.00 C ATOM 591 OD1 ASN A 36 -16.680 -11.546 5.329 1.00 0.00 O ATOM 592 ND2 ASN A 36 -15.460 -12.339 7.031 1.00 0.00 N ATOM 0 H ASN A 36 -16.602 -7.792 8.111 1.00 0.00 H new ATOM 0 HA ASN A 36 -17.615 -9.150 5.818 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -15.320 -9.406 6.734 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -15.980 -10.161 8.171 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -15.416 -13.271 6.618 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -15.002 -12.154 7.923 1.00 0.00 H new ATOM 599 N GLU A 37 -18.862 -9.806 8.781 1.00 0.00 N ATOM 600 CA GLU A 37 -19.987 -10.400 9.494 1.00 0.00 C ATOM 601 C GLU A 37 -21.306 -9.748 9.075 1.00 0.00 C ATOM 602 O GLU A 37 -22.388 -10.277 9.345 1.00 0.00 O ATOM 603 CB GLU A 37 -19.795 -10.239 11.004 1.00 0.00 C ATOM 604 CG GLU A 37 -18.520 -10.875 11.533 1.00 0.00 C ATOM 605 CD GLU A 37 -18.495 -12.377 11.340 1.00 0.00 C ATOM 606 OE1 GLU A 37 -19.080 -13.096 12.173 1.00 0.00 O ATOM 607 OE2 GLU A 37 -17.893 -12.846 10.351 1.00 0.00 O ATOM 0 H GLU A 37 -18.287 -9.188 9.353 1.00 0.00 H new ATOM 0 HA GLU A 37 -20.026 -11.460 9.241 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -19.788 -9.177 11.248 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -20.649 -10.679 11.518 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -17.661 -10.433 11.028 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -18.418 -10.647 12.594 1.00 0.00 H new ATOM 614 N ASN A 38 -21.208 -8.599 8.418 1.00 0.00 N ATOM 615 CA ASN A 38 -22.381 -7.843 7.984 1.00 0.00 C ATOM 616 C ASN A 38 -22.344 -7.635 6.473 1.00 0.00 C ATOM 617 O ASN A 38 -21.873 -6.606 5.990 1.00 0.00 O ATOM 618 CB ASN A 38 -22.449 -6.489 8.702 1.00 0.00 C ATOM 619 CG ASN A 38 -22.799 -6.614 10.173 1.00 0.00 C ATOM 620 OD1 ASN A 38 -23.973 -6.578 10.547 1.00 0.00 O ATOM 621 ND2 ASN A 38 -21.791 -6.750 11.021 1.00 0.00 N ATOM 0 H ASN A 38 -20.319 -8.165 8.171 1.00 0.00 H new ATOM 0 HA ASN A 38 -23.273 -8.415 8.241 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -21.488 -5.984 8.605 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -23.191 -5.860 8.210 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -21.973 -6.829 12.021 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -20.832 -6.776 10.674 1.00 0.00 H new ATOM 628 N PRO A 39 -22.864 -8.607 5.707 1.00 0.00 N ATOM 629 CA PRO A 39 -22.692 -8.666 4.248 1.00 0.00 C ATOM 630 C PRO A 39 -23.486 -7.613 3.469 1.00 0.00 C ATOM 631 O PRO A 39 -23.608 -7.711 2.249 1.00 0.00 O ATOM 632 CB PRO A 39 -23.189 -10.073 3.876 1.00 0.00 C ATOM 633 CG PRO A 39 -23.378 -10.793 5.171 1.00 0.00 C ATOM 634 CD PRO A 39 -23.657 -9.737 6.195 1.00 0.00 C ATOM 0 HA PRO A 39 -21.654 -8.463 3.986 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -24.123 -10.023 3.317 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -22.466 -10.589 3.244 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -24.204 -11.501 5.106 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -22.488 -11.365 5.433 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -24.718 -9.495 6.250 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -23.349 -10.048 7.193 1.00 0.00 H new ATOM 642 N TYR A 40 -24.015 -6.600 4.145 1.00 0.00 N ATOM 643 CA TYR A 40 -24.715 -5.528 3.445 1.00 0.00 C ATOM 644 C TYR A 40 -23.748 -4.402 3.087 1.00 0.00 C ATOM 645 O TYR A 40 -24.155 -3.294 2.722 1.00 0.00 O ATOM 646 CB TYR A 40 -25.934 -5.013 4.231 1.00 0.00 C ATOM 647 CG TYR A 40 -25.720 -4.762 5.707 1.00 0.00 C ATOM 648 CD1 TYR A 40 -25.319 -3.518 6.173 1.00 0.00 C ATOM 649 CD2 TYR A 40 -25.965 -5.763 6.639 1.00 0.00 C ATOM 650 CE1 TYR A 40 -25.161 -3.279 7.525 1.00 0.00 C ATOM 651 CE2 TYR A 40 -25.805 -5.535 7.990 1.00 0.00 C ATOM 652 CZ TYR A 40 -25.405 -4.291 8.429 1.00 0.00 C ATOM 653 OH TYR A 40 -25.255 -4.057 9.775 1.00 0.00 O ATOM 0 H TYR A 40 -23.975 -6.498 5.159 1.00 0.00 H new ATOM 0 HA TYR A 40 -25.109 -5.942 2.517 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -26.271 -4.084 3.771 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -26.743 -5.735 4.120 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -25.127 -2.723 5.467 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -26.286 -6.737 6.300 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -24.848 -2.305 7.871 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -25.992 -6.327 8.700 1.00 0.00 H new ATOM 0 HH TYR A 40 -24.813 -4.825 10.193 1.00 0.00 H new ATOM 663 N PHE A 41 -22.462 -4.714 3.179 1.00 0.00 N ATOM 664 CA PHE A 41 -21.410 -3.856 2.667 1.00 0.00 C ATOM 665 C PHE A 41 -20.653 -4.606 1.587 1.00 0.00 C ATOM 666 O PHE A 41 -20.540 -5.830 1.648 1.00 0.00 O ATOM 667 CB PHE A 41 -20.425 -3.462 3.774 1.00 0.00 C ATOM 668 CG PHE A 41 -20.983 -2.532 4.806 1.00 0.00 C ATOM 669 CD1 PHE A 41 -21.647 -3.018 5.916 1.00 0.00 C ATOM 670 CD2 PHE A 41 -20.823 -1.167 4.671 1.00 0.00 C ATOM 671 CE1 PHE A 41 -22.147 -2.157 6.873 1.00 0.00 C ATOM 672 CE2 PHE A 41 -21.318 -0.300 5.622 1.00 0.00 C ATOM 673 CZ PHE A 41 -21.981 -0.796 6.725 1.00 0.00 C ATOM 0 H PHE A 41 -22.122 -5.572 3.613 1.00 0.00 H new ATOM 0 HA PHE A 41 -21.866 -2.949 2.270 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -20.077 -4.368 4.271 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -19.553 -2.994 3.316 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -21.776 -4.083 6.037 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -20.304 -0.774 3.810 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -22.667 -2.548 7.735 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -21.187 0.765 5.503 1.00 0.00 H new ATOM 0 HZ PHE A 41 -22.370 -0.119 7.472 1.00 0.00 H new ATOM 683 N ILE A 42 -20.140 -3.896 0.599 1.00 0.00 N ATOM 684 CA ILE A 42 -19.240 -4.517 -0.351 1.00 0.00 C ATOM 685 C ILE A 42 -17.807 -4.216 0.066 1.00 0.00 C ATOM 686 O ILE A 42 -17.458 -3.074 0.373 1.00 0.00 O ATOM 687 CB ILE A 42 -19.492 -4.066 -1.813 1.00 0.00 C ATOM 688 CG1 ILE A 42 -18.668 -4.925 -2.778 1.00 0.00 C ATOM 689 CG2 ILE A 42 -19.164 -2.594 -2.004 1.00 0.00 C ATOM 690 CD1 ILE A 42 -18.935 -4.630 -4.239 1.00 0.00 C ATOM 0 H ILE A 42 -20.327 -2.907 0.436 1.00 0.00 H new ATOM 0 HA ILE A 42 -19.424 -5.591 -0.336 1.00 0.00 H new ATOM 0 HB ILE A 42 -20.552 -4.201 -2.030 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -17.609 -4.770 -2.573 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -18.880 -5.977 -2.585 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -19.352 -2.311 -3.040 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -19.790 -1.993 -1.344 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -18.115 -2.421 -1.765 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -18.315 -5.277 -4.860 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -19.986 -4.813 -4.461 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -18.696 -3.588 -4.449 1.00 0.00 H new ATOM 702 N LEU A 43 -16.999 -5.253 0.132 1.00 0.00 N ATOM 703 CA LEU A 43 -15.639 -5.130 0.615 1.00 0.00 C ATOM 704 C LEU A 43 -14.659 -5.249 -0.539 1.00 0.00 C ATOM 705 O LEU A 43 -14.570 -6.289 -1.190 1.00 0.00 O ATOM 706 CB LEU A 43 -15.388 -6.197 1.681 1.00 0.00 C ATOM 707 CG LEU A 43 -16.278 -6.059 2.920 1.00 0.00 C ATOM 708 CD1 LEU A 43 -16.356 -7.367 3.689 1.00 0.00 C ATOM 709 CD2 LEU A 43 -15.761 -4.941 3.814 1.00 0.00 C ATOM 0 H LEU A 43 -17.263 -6.198 -0.145 1.00 0.00 H new ATOM 0 HA LEU A 43 -15.491 -4.149 1.066 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -15.546 -7.181 1.240 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -14.344 -6.150 1.989 1.00 0.00 H new ATOM 0 HG LEU A 43 -17.286 -5.808 2.590 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -16.995 -7.238 4.563 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -16.773 -8.143 3.046 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -15.357 -7.660 4.010 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -16.401 -4.852 4.692 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -14.743 -5.169 4.129 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -15.769 -4.001 3.262 1.00 0.00 H new ATOM 721 N THR A 44 -13.953 -4.167 -0.811 1.00 0.00 N ATOM 722 CA THR A 44 -13.042 -4.117 -1.935 1.00 0.00 C ATOM 723 C THR A 44 -11.654 -3.686 -1.482 1.00 0.00 C ATOM 724 O THR A 44 -11.491 -2.658 -0.822 1.00 0.00 O ATOM 725 CB THR A 44 -13.565 -3.147 -3.013 1.00 0.00 C ATOM 726 OG1 THR A 44 -14.924 -3.478 -3.335 1.00 0.00 O ATOM 727 CG2 THR A 44 -12.713 -3.213 -4.274 1.00 0.00 C ATOM 0 H THR A 44 -13.995 -3.307 -0.264 1.00 0.00 H new ATOM 0 HA THR A 44 -12.977 -5.118 -2.362 1.00 0.00 H new ATOM 0 HB THR A 44 -13.511 -2.133 -2.617 1.00 0.00 H new ATOM 0 HG1 THR A 44 -15.258 -2.861 -4.019 1.00 0.00 H new ATOM 0 HG21 THR A 44 -13.107 -2.518 -5.016 1.00 0.00 H new ATOM 0 HG22 THR A 44 -11.685 -2.943 -4.033 1.00 0.00 H new ATOM 0 HG23 THR A 44 -12.737 -4.226 -4.677 1.00 0.00 H new ATOM 877 N PRO A 54 7.419 1.158 -10.421 1.00 0.00 N ATOM 878 CA PRO A 54 8.115 1.612 -9.209 1.00 0.00 C ATOM 879 C PRO A 54 9.316 0.744 -8.849 1.00 0.00 C ATOM 880 O PRO A 54 9.592 0.504 -7.680 1.00 0.00 O ATOM 881 CB PRO A 54 7.033 1.501 -8.136 1.00 0.00 C ATOM 882 CG PRO A 54 6.173 0.377 -8.589 1.00 0.00 C ATOM 883 CD PRO A 54 6.177 0.425 -10.093 1.00 0.00 C ATOM 0 HA PRO A 54 8.530 2.613 -9.329 1.00 0.00 H new ATOM 0 HB2 PRO A 54 7.465 1.300 -7.156 1.00 0.00 H new ATOM 0 HB3 PRO A 54 6.464 2.426 -8.049 1.00 0.00 H new ATOM 0 HG2 PRO A 54 6.558 -0.577 -8.229 1.00 0.00 H new ATOM 0 HG3 PRO A 54 5.160 0.480 -8.199 1.00 0.00 H new ATOM 0 HD2 PRO A 54 6.178 -0.576 -10.525 1.00 0.00 H new ATOM 0 HD3 PRO A 54 5.296 0.938 -10.479 1.00 0.00 H new ATOM 891 N ILE A 55 10.029 0.298 -9.864 1.00 0.00 N ATOM 892 CA ILE A 55 11.222 -0.512 -9.687 1.00 0.00 C ATOM 893 C ILE A 55 12.216 -0.140 -10.788 1.00 0.00 C ATOM 894 O ILE A 55 13.114 -0.899 -11.149 1.00 0.00 O ATOM 895 CB ILE A 55 10.869 -2.020 -9.730 1.00 0.00 C ATOM 896 CG1 ILE A 55 12.044 -2.871 -9.245 1.00 0.00 C ATOM 897 CG2 ILE A 55 10.436 -2.443 -11.129 1.00 0.00 C ATOM 898 CD1 ILE A 55 12.426 -2.617 -7.804 1.00 0.00 C ATOM 0 H ILE A 55 9.798 0.487 -10.839 1.00 0.00 H new ATOM 0 HA ILE A 55 11.669 -0.319 -8.712 1.00 0.00 H new ATOM 0 HB ILE A 55 10.030 -2.184 -9.054 1.00 0.00 H new ATOM 0 HG12 ILE A 55 11.791 -3.925 -9.364 1.00 0.00 H new ATOM 0 HG13 ILE A 55 12.908 -2.677 -9.880 1.00 0.00 H new ATOM 0 HG21 ILE A 55 10.194 -3.506 -11.129 1.00 0.00 H new ATOM 0 HG22 ILE A 55 9.557 -1.871 -11.426 1.00 0.00 H new ATOM 0 HG23 ILE A 55 11.246 -2.255 -11.833 1.00 0.00 H new ATOM 0 HD11 ILE A 55 13.266 -3.256 -7.532 1.00 0.00 H new ATOM 0 HD12 ILE A 55 12.711 -1.572 -7.682 1.00 0.00 H new ATOM 0 HD13 ILE A 55 11.577 -2.839 -7.158 1.00 0.00 H new ATOM 910 N ASN A 56 12.050 1.080 -11.284 1.00 0.00 N ATOM 911 CA ASN A 56 12.808 1.578 -12.425 1.00 0.00 C ATOM 912 C ASN A 56 13.096 3.066 -12.247 1.00 0.00 C ATOM 913 O ASN A 56 12.261 3.914 -12.566 1.00 0.00 O ATOM 914 CB ASN A 56 12.023 1.348 -13.725 1.00 0.00 C ATOM 915 CG ASN A 56 12.780 1.791 -14.967 1.00 0.00 C ATOM 916 OD1 ASN A 56 13.519 1.013 -15.564 1.00 0.00 O ATOM 917 ND2 ASN A 56 12.587 3.037 -15.376 1.00 0.00 N ATOM 0 H ASN A 56 11.384 1.754 -10.905 1.00 0.00 H new ATOM 0 HA ASN A 56 13.752 1.036 -12.484 1.00 0.00 H new ATOM 0 HB2 ASN A 56 11.781 0.289 -13.813 1.00 0.00 H new ATOM 0 HB3 ASN A 56 11.078 1.888 -13.672 1.00 0.00 H new ATOM 0 HD21 ASN A 56 13.060 3.378 -16.213 1.00 0.00 H new ATOM 0 HD22 ASN A 56 11.965 3.655 -14.854 1.00 0.00 H new ATOM 924 N TYR A 57 14.261 3.377 -11.702 1.00 0.00 N ATOM 925 CA TYR A 57 14.648 4.760 -11.451 1.00 0.00 C ATOM 926 C TYR A 57 16.126 4.954 -11.746 1.00 0.00 C ATOM 927 O TYR A 57 16.893 3.993 -11.776 1.00 0.00 O ATOM 928 CB TYR A 57 14.393 5.155 -9.992 1.00 0.00 C ATOM 929 CG TYR A 57 12.961 5.014 -9.523 1.00 0.00 C ATOM 930 CD1 TYR A 57 12.479 3.800 -9.048 1.00 0.00 C ATOM 931 CD2 TYR A 57 12.101 6.103 -9.537 1.00 0.00 C ATOM 932 CE1 TYR A 57 11.178 3.673 -8.606 1.00 0.00 C ATOM 933 CE2 TYR A 57 10.798 5.987 -9.092 1.00 0.00 C ATOM 934 CZ TYR A 57 10.340 4.768 -8.628 1.00 0.00 C ATOM 935 OH TYR A 57 9.044 4.645 -8.179 1.00 0.00 O ATOM 0 H TYR A 57 14.960 2.688 -11.423 1.00 0.00 H new ATOM 0 HA TYR A 57 14.044 5.389 -12.105 1.00 0.00 H new ATOM 0 HB2 TYR A 57 15.029 4.544 -9.351 1.00 0.00 H new ATOM 0 HB3 TYR A 57 14.702 6.191 -9.854 1.00 0.00 H new ATOM 0 HD1 TYR A 57 13.134 2.941 -9.024 1.00 0.00 H new ATOM 0 HD2 TYR A 57 12.456 7.056 -9.901 1.00 0.00 H new ATOM 0 HE1 TYR A 57 10.818 2.721 -8.245 1.00 0.00 H new ATOM 0 HE2 TYR A 57 10.141 6.844 -9.107 1.00 0.00 H new ATOM 0 HH TYR A 57 8.586 5.508 -8.260 1.00 0.00 H new ATOM 945 N THR A 58 16.522 6.199 -11.947 1.00 0.00 N ATOM 946 CA THR A 58 17.922 6.535 -12.117 1.00 0.00 C ATOM 947 C THR A 58 18.684 6.254 -10.832 1.00 0.00 C ATOM 948 O THR A 58 18.293 6.720 -9.764 1.00 0.00 O ATOM 949 CB THR A 58 18.088 8.011 -12.514 1.00 0.00 C ATOM 950 OG1 THR A 58 17.162 8.337 -13.560 1.00 0.00 O ATOM 951 CG2 THR A 58 19.503 8.291 -12.994 1.00 0.00 C ATOM 0 H THR A 58 15.888 6.997 -11.996 1.00 0.00 H new ATOM 0 HA THR A 58 18.327 5.917 -12.918 1.00 0.00 H new ATOM 0 HB THR A 58 17.890 8.624 -11.635 1.00 0.00 H new ATOM 0 HG1 THR A 58 17.269 9.279 -13.810 1.00 0.00 H new ATOM 0 HG21 THR A 58 19.593 9.342 -13.268 1.00 0.00 H new ATOM 0 HG22 THR A 58 20.210 8.063 -12.196 1.00 0.00 H new ATOM 0 HG23 THR A 58 19.722 7.669 -13.862 1.00 0.00 H new ATOM 959 N GLU A 59 19.759 5.477 -10.926 1.00 0.00 N ATOM 960 CA GLU A 59 20.580 5.189 -9.759 1.00 0.00 C ATOM 961 C GLU A 59 21.224 6.469 -9.260 1.00 0.00 C ATOM 962 O GLU A 59 21.522 6.612 -8.080 1.00 0.00 O ATOM 963 CB GLU A 59 21.635 4.118 -10.076 1.00 0.00 C ATOM 964 CG GLU A 59 22.665 4.510 -11.131 1.00 0.00 C ATOM 965 CD GLU A 59 23.846 5.265 -10.545 1.00 0.00 C ATOM 966 OE1 GLU A 59 24.599 4.670 -9.746 1.00 0.00 O ATOM 967 OE2 GLU A 59 24.027 6.455 -10.877 1.00 0.00 O ATOM 0 H GLU A 59 20.078 5.040 -11.791 1.00 0.00 H new ATOM 0 HA GLU A 59 19.944 4.789 -8.969 1.00 0.00 H new ATOM 0 HB2 GLU A 59 22.161 3.865 -9.155 1.00 0.00 H new ATOM 0 HB3 GLU A 59 21.123 3.215 -10.409 1.00 0.00 H new ATOM 0 HG2 GLU A 59 23.026 3.612 -11.632 1.00 0.00 H new ATOM 0 HG3 GLU A 59 22.185 5.127 -11.890 1.00 0.00 H new ATOM 974 N SER A 60 21.414 7.405 -10.179 1.00 0.00 N ATOM 975 CA SER A 60 21.927 8.713 -9.839 1.00 0.00 C ATOM 976 C SER A 60 20.887 9.475 -9.028 1.00 0.00 C ATOM 977 O SER A 60 21.232 10.287 -8.169 1.00 0.00 O ATOM 978 CB SER A 60 22.286 9.476 -11.113 1.00 0.00 C ATOM 979 OG SER A 60 23.064 8.666 -11.983 1.00 0.00 O ATOM 0 H SER A 60 21.217 7.276 -11.171 1.00 0.00 H new ATOM 0 HA SER A 60 22.829 8.606 -9.236 1.00 0.00 H new ATOM 0 HB2 SER A 60 21.375 9.793 -11.621 1.00 0.00 H new ATOM 0 HB3 SER A 60 22.840 10.379 -10.858 1.00 0.00 H new ATOM 0 HG SER A 60 23.485 7.945 -11.470 1.00 0.00 H new ATOM 985 N GLU A 61 19.609 9.183 -9.281 1.00 0.00 N ATOM 986 CA GLU A 61 18.532 9.808 -8.521 1.00 0.00 C ATOM 987 C GLU A 61 18.327 9.081 -7.196 1.00 0.00 C ATOM 988 O GLU A 61 18.193 9.705 -6.148 1.00 0.00 O ATOM 989 CB GLU A 61 17.231 9.818 -9.325 1.00 0.00 C ATOM 990 CG GLU A 61 17.278 10.726 -10.541 1.00 0.00 C ATOM 991 CD GLU A 61 17.491 12.182 -10.175 1.00 0.00 C ATOM 992 OE1 GLU A 61 18.659 12.604 -10.041 1.00 0.00 O ATOM 993 OE2 GLU A 61 16.489 12.913 -10.025 1.00 0.00 O ATOM 0 H GLU A 61 19.300 8.526 -9.997 1.00 0.00 H new ATOM 0 HA GLU A 61 18.816 10.840 -8.317 1.00 0.00 H new ATOM 0 HB2 GLU A 61 17.005 8.802 -9.649 1.00 0.00 H new ATOM 0 HB3 GLU A 61 16.414 10.135 -8.676 1.00 0.00 H new ATOM 0 HG2 GLU A 61 18.081 10.400 -11.202 1.00 0.00 H new ATOM 0 HG3 GLU A 61 16.347 10.628 -11.099 1.00 0.00 H new ATOM 1000 N LEU A 62 18.329 7.751 -7.254 1.00 0.00 N ATOM 1001 CA LEU A 62 18.141 6.916 -6.069 1.00 0.00 C ATOM 1002 C LEU A 62 19.337 7.006 -5.124 1.00 0.00 C ATOM 1003 O LEU A 62 19.269 6.545 -3.984 1.00 0.00 O ATOM 1004 CB LEU A 62 17.926 5.453 -6.468 1.00 0.00 C ATOM 1005 CG LEU A 62 16.614 5.151 -7.191 1.00 0.00 C ATOM 1006 CD1 LEU A 62 16.564 3.686 -7.597 1.00 0.00 C ATOM 1007 CD2 LEU A 62 15.424 5.502 -6.308 1.00 0.00 C ATOM 0 H LEU A 62 18.460 7.224 -8.118 1.00 0.00 H new ATOM 0 HA LEU A 62 17.257 7.288 -5.551 1.00 0.00 H new ATOM 0 HB2 LEU A 62 18.752 5.145 -7.109 1.00 0.00 H new ATOM 0 HB3 LEU A 62 17.974 4.839 -5.569 1.00 0.00 H new ATOM 0 HG LEU A 62 16.563 5.764 -8.091 1.00 0.00 H new ATOM 0 HD11 LEU A 62 15.625 3.483 -8.111 1.00 0.00 H new ATOM 0 HD12 LEU A 62 17.398 3.464 -8.263 1.00 0.00 H new ATOM 0 HD13 LEU A 62 16.634 3.059 -6.708 1.00 0.00 H new ATOM 0 HD21 LEU A 62 14.499 5.280 -6.840 1.00 0.00 H new ATOM 0 HD22 LEU A 62 15.466 4.914 -5.391 1.00 0.00 H new ATOM 0 HD23 LEU A 62 15.455 6.563 -6.061 1.00 0.00 H new ATOM 1019 N LYS A 63 20.427 7.580 -5.615 1.00 0.00 N ATOM 1020 CA LYS A 63 21.647 7.714 -4.834 1.00 0.00 C ATOM 1021 C LYS A 63 21.438 8.692 -3.681 1.00 0.00 C ATOM 1022 O LYS A 63 21.679 8.361 -2.522 1.00 0.00 O ATOM 1023 CB LYS A 63 22.788 8.191 -5.736 1.00 0.00 C ATOM 1024 CG LYS A 63 24.170 7.805 -5.239 1.00 0.00 C ATOM 1025 CD LYS A 63 24.321 6.294 -5.133 1.00 0.00 C ATOM 1026 CE LYS A 63 24.123 5.604 -6.477 1.00 0.00 C ATOM 1027 NZ LYS A 63 25.152 6.002 -7.476 1.00 0.00 N ATOM 0 H LYS A 63 20.490 7.963 -6.558 1.00 0.00 H new ATOM 0 HA LYS A 63 21.907 6.742 -4.415 1.00 0.00 H new ATOM 0 HB2 LYS A 63 22.644 7.779 -6.735 1.00 0.00 H new ATOM 0 HB3 LYS A 63 22.736 9.276 -5.828 1.00 0.00 H new ATOM 0 HG2 LYS A 63 24.926 8.201 -5.917 1.00 0.00 H new ATOM 0 HG3 LYS A 63 24.348 8.259 -4.264 1.00 0.00 H new ATOM 0 HD2 LYS A 63 25.311 6.055 -4.745 1.00 0.00 H new ATOM 0 HD3 LYS A 63 23.596 5.907 -4.417 1.00 0.00 H new ATOM 0 HE2 LYS A 63 24.156 4.524 -6.336 1.00 0.00 H new ATOM 0 HE3 LYS A 63 23.133 5.845 -6.864 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 25.126 5.345 -8.282 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 24.957 6.968 -7.810 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 26.094 5.972 -7.035 1.00 0.00 H new ATOM 1041 N GLY A 64 20.970 9.890 -4.008 1.00 0.00 N ATOM 1042 CA GLY A 64 20.712 10.890 -2.989 1.00 0.00 C ATOM 1043 C GLY A 64 19.265 10.874 -2.541 1.00 0.00 C ATOM 1044 O GLY A 64 18.561 11.882 -2.642 1.00 0.00 O ATOM 0 H GLY A 64 20.764 10.188 -4.962 1.00 0.00 H new ATOM 0 HA2 GLY A 64 21.360 10.711 -2.131 1.00 0.00 H new ATOM 0 HA3 GLY A 64 20.962 11.878 -3.377 1.00 0.00 H new ATOM 1048 N MET A 65 18.824 9.724 -2.056 1.00 0.00 N ATOM 1049 CA MET A 65 17.441 9.542 -1.643 1.00 0.00 C ATOM 1050 C MET A 65 17.345 9.169 -0.169 1.00 0.00 C ATOM 1051 O MET A 65 18.326 9.223 0.576 1.00 0.00 O ATOM 1052 CB MET A 65 16.765 8.454 -2.484 1.00 0.00 C ATOM 1053 CG MET A 65 16.240 8.933 -3.828 1.00 0.00 C ATOM 1054 SD MET A 65 14.839 10.060 -3.677 1.00 0.00 S ATOM 1055 CE MET A 65 14.326 10.176 -5.390 1.00 0.00 C ATOM 0 H MET A 65 19.409 8.897 -1.938 1.00 0.00 H new ATOM 0 HA MET A 65 16.930 10.492 -1.797 1.00 0.00 H new ATOM 0 HB2 MET A 65 17.478 7.647 -2.653 1.00 0.00 H new ATOM 0 HB3 MET A 65 15.937 8.033 -1.914 1.00 0.00 H new ATOM 0 HG2 MET A 65 17.044 9.432 -4.369 1.00 0.00 H new ATOM 0 HG3 MET A 65 15.943 8.070 -4.424 1.00 0.00 H new ATOM 0 HE1 MET A 65 13.465 10.840 -5.468 1.00 0.00 H new ATOM 0 HE2 MET A 65 15.146 10.573 -5.989 1.00 0.00 H new ATOM 0 HE3 MET A 65 14.055 9.186 -5.756 1.00 0.00 H new ATOM 1065 N ASN A 66 16.150 8.778 0.222 1.00 0.00 N ATOM 1066 CA ASN A 66 15.838 8.395 1.586 1.00 0.00 C ATOM 1067 C ASN A 66 15.834 6.860 1.682 1.00 0.00 C ATOM 1068 O ASN A 66 16.344 6.179 0.787 1.00 0.00 O ATOM 1069 CB ASN A 66 14.468 9.010 1.934 1.00 0.00 C ATOM 1070 CG ASN A 66 13.950 8.694 3.320 1.00 0.00 C ATOM 1071 OD1 ASN A 66 14.713 8.528 4.270 1.00 0.00 O ATOM 1072 ND2 ASN A 66 12.637 8.586 3.432 1.00 0.00 N ATOM 0 H ASN A 66 15.352 8.716 -0.410 1.00 0.00 H new ATOM 0 HA ASN A 66 16.577 8.761 2.299 1.00 0.00 H new ATOM 0 HB2 ASN A 66 14.537 10.093 1.828 1.00 0.00 H new ATOM 0 HB3 ASN A 66 13.737 8.664 1.203 1.00 0.00 H new ATOM 0 HD21 ASN A 66 12.219 8.356 4.334 1.00 0.00 H new ATOM 0 HD22 ASN A 66 12.042 8.732 2.617 1.00 0.00 H new ATOM 1079 N LYS A 67 15.305 6.318 2.765 1.00 0.00 N ATOM 1080 CA LYS A 67 15.177 4.880 2.914 1.00 0.00 C ATOM 1081 C LYS A 67 13.747 4.434 2.610 1.00 0.00 C ATOM 1082 O LYS A 67 13.530 3.390 1.990 1.00 0.00 O ATOM 1083 CB LYS A 67 15.558 4.477 4.342 1.00 0.00 C ATOM 1084 CG LYS A 67 15.571 2.974 4.585 1.00 0.00 C ATOM 1085 CD LYS A 67 15.888 2.658 6.039 1.00 0.00 C ATOM 1086 CE LYS A 67 14.632 2.503 6.893 1.00 0.00 C ATOM 1087 NZ LYS A 67 13.654 3.608 6.703 1.00 0.00 N ATOM 0 H LYS A 67 14.956 6.856 3.558 1.00 0.00 H new ATOM 0 HA LYS A 67 15.848 4.391 2.207 1.00 0.00 H new ATOM 0 HB2 LYS A 67 16.545 4.879 4.570 1.00 0.00 H new ATOM 0 HB3 LYS A 67 14.858 4.940 5.037 1.00 0.00 H new ATOM 0 HG2 LYS A 67 14.602 2.551 4.320 1.00 0.00 H new ATOM 0 HG3 LYS A 67 16.311 2.504 3.938 1.00 0.00 H new ATOM 0 HD2 LYS A 67 16.472 1.739 6.088 1.00 0.00 H new ATOM 0 HD3 LYS A 67 16.509 3.453 6.453 1.00 0.00 H new ATOM 0 HE2 LYS A 67 14.151 1.555 6.651 1.00 0.00 H new ATOM 0 HE3 LYS A 67 14.918 2.457 7.944 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 12.908 3.539 7.425 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 14.141 4.522 6.794 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 13.228 3.536 5.757 1.00 0.00 H new ATOM 1101 N ALA A 68 12.784 5.264 3.014 1.00 0.00 N ATOM 1102 CA ALA A 68 11.368 4.897 2.999 1.00 0.00 C ATOM 1103 C ALA A 68 10.835 4.614 1.597 1.00 0.00 C ATOM 1104 O ALA A 68 9.999 3.723 1.415 1.00 0.00 O ATOM 1105 CB ALA A 68 10.536 5.984 3.658 1.00 0.00 C ATOM 0 H ALA A 68 12.963 6.207 3.360 1.00 0.00 H new ATOM 0 HA ALA A 68 11.283 3.968 3.563 1.00 0.00 H new ATOM 0 HB1 ALA A 68 9.484 5.698 3.640 1.00 0.00 H new ATOM 0 HB2 ALA A 68 10.859 6.114 4.691 1.00 0.00 H new ATOM 0 HB3 ALA A 68 10.667 6.921 3.116 1.00 0.00 H new ATOM 1111 N GLU A 69 11.302 5.357 0.601 1.00 0.00 N ATOM 1112 CA GLU A 69 10.776 5.188 -0.744 1.00 0.00 C ATOM 1113 C GLU A 69 11.321 3.902 -1.361 1.00 0.00 C ATOM 1114 O GLU A 69 10.589 3.188 -2.027 1.00 0.00 O ATOM 1115 CB GLU A 69 11.054 6.411 -1.638 1.00 0.00 C ATOM 1116 CG GLU A 69 12.479 6.542 -2.146 1.00 0.00 C ATOM 1117 CD GLU A 69 13.481 6.771 -1.046 1.00 0.00 C ATOM 1118 OE1 GLU A 69 13.930 5.780 -0.434 1.00 0.00 O ATOM 1119 OE2 GLU A 69 13.822 7.937 -0.799 1.00 0.00 O ATOM 0 H GLU A 69 12.028 6.067 0.696 1.00 0.00 H new ATOM 0 HA GLU A 69 9.691 5.106 -0.672 1.00 0.00 H new ATOM 0 HB2 GLU A 69 10.384 6.371 -2.496 1.00 0.00 H new ATOM 0 HB3 GLU A 69 10.802 7.312 -1.079 1.00 0.00 H new ATOM 0 HG2 GLU A 69 12.748 5.638 -2.692 1.00 0.00 H new ATOM 0 HG3 GLU A 69 12.531 7.369 -2.854 1.00 0.00 H new ATOM 1126 N HIS A 70 12.598 3.607 -1.114 1.00 0.00 N ATOM 1127 CA HIS A 70 13.191 2.330 -1.499 1.00 0.00 C ATOM 1128 C HIS A 70 12.409 1.170 -0.904 1.00 0.00 C ATOM 1129 O HIS A 70 12.166 0.169 -1.575 1.00 0.00 O ATOM 1130 CB HIS A 70 14.643 2.237 -1.026 1.00 0.00 C ATOM 1131 CG HIS A 70 15.607 3.082 -1.798 1.00 0.00 C ATOM 1132 ND1 HIS A 70 15.982 4.348 -1.411 1.00 0.00 N ATOM 1133 CD2 HIS A 70 16.317 2.811 -2.920 1.00 0.00 C ATOM 1134 CE1 HIS A 70 16.877 4.815 -2.253 1.00 0.00 C ATOM 1135 NE2 HIS A 70 17.100 3.904 -3.180 1.00 0.00 N ATOM 0 H HIS A 70 13.244 4.242 -0.645 1.00 0.00 H new ATOM 0 HA HIS A 70 13.159 2.272 -2.587 1.00 0.00 H new ATOM 0 HB2 HIS A 70 14.688 2.526 0.024 1.00 0.00 H new ATOM 0 HB3 HIS A 70 14.964 1.197 -1.085 1.00 0.00 H new ATOM 0 HD1 HIS A 70 15.622 4.847 -0.597 1.00 0.00 H new ATOM 0 HD2 HIS A 70 16.273 1.902 -3.501 1.00 0.00 H new ATOM 0 HE1 HIS A 70 17.351 5.784 -2.195 1.00 0.00 H new ATOM 1144 N GLU A 71 12.028 1.310 0.361 1.00 0.00 N ATOM 1145 CA GLU A 71 11.254 0.284 1.045 1.00 0.00 C ATOM 1146 C GLU A 71 9.923 0.066 0.334 1.00 0.00 C ATOM 1147 O GLU A 71 9.541 -1.066 0.051 1.00 0.00 O ATOM 1148 CB GLU A 71 11.030 0.676 2.508 1.00 0.00 C ATOM 1149 CG GLU A 71 12.322 0.804 3.296 1.00 0.00 C ATOM 1150 CD GLU A 71 12.115 1.353 4.692 1.00 0.00 C ATOM 1151 OE1 GLU A 71 12.095 2.589 4.851 1.00 0.00 O ATOM 1152 OE2 GLU A 71 11.994 0.552 5.640 1.00 0.00 O ATOM 0 H GLU A 71 12.244 2.126 0.933 1.00 0.00 H new ATOM 0 HA GLU A 71 11.812 -0.652 1.023 1.00 0.00 H new ATOM 0 HB2 GLU A 71 10.493 1.624 2.546 1.00 0.00 H new ATOM 0 HB3 GLU A 71 10.394 -0.070 2.984 1.00 0.00 H new ATOM 0 HG2 GLU A 71 12.798 -0.174 3.364 1.00 0.00 H new ATOM 0 HG3 GLU A 71 13.008 1.455 2.754 1.00 0.00 H new ATOM 1159 N SER A 72 9.246 1.161 0.010 1.00 0.00 N ATOM 1160 CA SER A 72 7.975 1.100 -0.707 1.00 0.00 C ATOM 1161 C SER A 72 8.173 0.597 -2.139 1.00 0.00 C ATOM 1162 O SER A 72 7.301 -0.060 -2.699 1.00 0.00 O ATOM 1163 CB SER A 72 7.330 2.483 -0.715 1.00 0.00 C ATOM 1164 OG SER A 72 7.194 2.982 0.607 1.00 0.00 O ATOM 0 H SER A 72 9.556 2.107 0.233 1.00 0.00 H new ATOM 0 HA SER A 72 7.319 0.396 -0.195 1.00 0.00 H new ATOM 0 HB2 SER A 72 7.936 3.169 -1.307 1.00 0.00 H new ATOM 0 HB3 SER A 72 6.351 2.430 -1.191 1.00 0.00 H new ATOM 0 HG SER A 72 8.071 3.262 0.943 1.00 0.00 H new ATOM 1170 N ILE A 73 9.331 0.907 -2.711 1.00 0.00 N ATOM 1171 CA ILE A 73 9.680 0.484 -4.065 1.00 0.00 C ATOM 1172 C ILE A 73 9.648 -1.039 -4.203 1.00 0.00 C ATOM 1173 O ILE A 73 8.902 -1.585 -5.018 1.00 0.00 O ATOM 1174 CB ILE A 73 11.084 1.019 -4.466 1.00 0.00 C ATOM 1175 CG1 ILE A 73 11.000 2.494 -4.868 1.00 0.00 C ATOM 1176 CG2 ILE A 73 11.697 0.198 -5.594 1.00 0.00 C ATOM 1177 CD1 ILE A 73 12.351 3.151 -5.073 1.00 0.00 C ATOM 0 H ILE A 73 10.055 1.458 -2.251 1.00 0.00 H new ATOM 0 HA ILE A 73 8.933 0.905 -4.738 1.00 0.00 H new ATOM 0 HB ILE A 73 11.733 0.925 -3.595 1.00 0.00 H new ATOM 0 HG12 ILE A 73 10.423 2.578 -5.789 1.00 0.00 H new ATOM 0 HG13 ILE A 73 10.454 3.040 -4.099 1.00 0.00 H new ATOM 0 HG21 ILE A 73 12.677 0.602 -5.847 1.00 0.00 H new ATOM 0 HG22 ILE A 73 11.803 -0.838 -5.274 1.00 0.00 H new ATOM 0 HG23 ILE A 73 11.050 0.243 -6.470 1.00 0.00 H new ATOM 0 HD11 ILE A 73 12.209 4.194 -5.356 1.00 0.00 H new ATOM 0 HD12 ILE A 73 12.924 3.101 -4.147 1.00 0.00 H new ATOM 0 HD13 ILE A 73 12.892 2.631 -5.864 1.00 0.00 H new ATOM 1189 N ILE A 74 10.432 -1.728 -3.384 1.00 0.00 N ATOM 1190 CA ILE A 74 10.605 -3.161 -3.558 1.00 0.00 C ATOM 1191 C ILE A 74 9.521 -3.959 -2.837 1.00 0.00 C ATOM 1192 O ILE A 74 9.381 -5.164 -3.055 1.00 0.00 O ATOM 1193 CB ILE A 74 11.999 -3.642 -3.110 1.00 0.00 C ATOM 1194 CG1 ILE A 74 12.958 -2.461 -2.920 1.00 0.00 C ATOM 1195 CG2 ILE A 74 12.552 -4.590 -4.158 1.00 0.00 C ATOM 1196 CD1 ILE A 74 14.334 -2.863 -2.431 1.00 0.00 C ATOM 0 H ILE A 74 10.951 -1.324 -2.604 1.00 0.00 H new ATOM 0 HA ILE A 74 10.513 -3.344 -4.629 1.00 0.00 H new ATOM 0 HB ILE A 74 11.904 -4.153 -2.152 1.00 0.00 H new ATOM 0 HG12 ILE A 74 13.060 -1.932 -3.867 1.00 0.00 H new ATOM 0 HG13 ILE A 74 12.520 -1.760 -2.209 1.00 0.00 H new ATOM 0 HG21 ILE A 74 13.539 -4.937 -3.851 1.00 0.00 H new ATOM 0 HG22 ILE A 74 11.884 -5.445 -4.264 1.00 0.00 H new ATOM 0 HG23 ILE A 74 12.631 -4.071 -5.113 1.00 0.00 H new ATOM 0 HD11 ILE A 74 14.955 -1.974 -2.321 1.00 0.00 H new ATOM 0 HD12 ILE A 74 14.245 -3.365 -1.468 1.00 0.00 H new ATOM 0 HD13 ILE A 74 14.793 -3.539 -3.152 1.00 0.00 H new ATOM 1208 N SER A 75 8.750 -3.298 -1.983 1.00 0.00 N ATOM 1209 CA SER A 75 7.590 -3.940 -1.384 1.00 0.00 C ATOM 1210 C SER A 75 6.428 -3.899 -2.366 1.00 0.00 C ATOM 1211 O SER A 75 5.635 -4.835 -2.447 1.00 0.00 O ATOM 1212 CB SER A 75 7.212 -3.270 -0.061 1.00 0.00 C ATOM 1213 OG SER A 75 7.055 -1.874 -0.219 1.00 0.00 O ATOM 0 H SER A 75 8.904 -2.332 -1.694 1.00 0.00 H new ATOM 0 HA SER A 75 7.834 -4.979 -1.163 1.00 0.00 H new ATOM 0 HB2 SER A 75 6.285 -3.702 0.316 1.00 0.00 H new ATOM 0 HB3 SER A 75 7.983 -3.470 0.683 1.00 0.00 H new ATOM 0 HG SER A 75 7.869 -1.417 0.079 1.00 0.00 H new ATOM 1219 N ASN A 76 6.361 -2.814 -3.134 1.00 0.00 N ATOM 1220 CA ASN A 76 5.378 -2.672 -4.202 1.00 0.00 C ATOM 1221 C ASN A 76 5.653 -3.713 -5.280 1.00 0.00 C ATOM 1222 O ASN A 76 4.742 -4.250 -5.903 1.00 0.00 O ATOM 1223 CB ASN A 76 5.465 -1.267 -4.801 1.00 0.00 C ATOM 1224 CG ASN A 76 4.171 -0.818 -5.444 1.00 0.00 C ATOM 1225 OD1 ASN A 76 3.921 -1.067 -6.621 1.00 0.00 O ATOM 1226 ND2 ASN A 76 3.348 -0.127 -4.670 1.00 0.00 N ATOM 0 H ASN A 76 6.984 -2.013 -3.033 1.00 0.00 H new ATOM 0 HA ASN A 76 4.377 -2.823 -3.799 1.00 0.00 H new ATOM 0 HB2 ASN A 76 5.740 -0.560 -4.018 1.00 0.00 H new ATOM 0 HB3 ASN A 76 6.261 -1.244 -5.545 1.00 0.00 H new ATOM 0 HD21 ASN A 76 2.466 0.222 -5.046 1.00 0.00 H new ATOM 0 HD22 ASN A 76 3.596 0.057 -3.698 1.00 0.00 H new ATOM 1233 N LEU A 77 6.940 -3.991 -5.470 1.00 0.00 N ATOM 1234 CA LEU A 77 7.394 -5.026 -6.393 1.00 0.00 C ATOM 1235 C LEU A 77 6.907 -6.408 -5.950 1.00 0.00 C ATOM 1236 O LEU A 77 6.767 -7.323 -6.765 1.00 0.00 O ATOM 1237 CB LEU A 77 8.926 -5.013 -6.454 1.00 0.00 C ATOM 1238 CG LEU A 77 9.564 -6.035 -7.396 1.00 0.00 C ATOM 1239 CD1 LEU A 77 9.224 -5.715 -8.845 1.00 0.00 C ATOM 1240 CD2 LEU A 77 11.070 -6.070 -7.189 1.00 0.00 C ATOM 0 H LEU A 77 7.697 -3.505 -4.989 1.00 0.00 H new ATOM 0 HA LEU A 77 6.980 -4.819 -7.380 1.00 0.00 H new ATOM 0 HB2 LEU A 77 9.250 -4.017 -6.756 1.00 0.00 H new ATOM 0 HB3 LEU A 77 9.312 -5.183 -5.449 1.00 0.00 H new ATOM 0 HG LEU A 77 9.161 -7.021 -7.166 1.00 0.00 H new ATOM 0 HD11 LEU A 77 9.687 -6.454 -9.499 1.00 0.00 H new ATOM 0 HD12 LEU A 77 8.143 -5.739 -8.979 1.00 0.00 H new ATOM 0 HD13 LEU A 77 9.598 -4.723 -9.096 1.00 0.00 H new ATOM 0 HD21 LEU A 77 11.513 -6.801 -7.865 1.00 0.00 H new ATOM 0 HD22 LEU A 77 11.489 -5.085 -7.395 1.00 0.00 H new ATOM 0 HD23 LEU A 77 11.289 -6.349 -6.158 1.00 0.00 H new ATOM 1252 N GLY A 78 6.652 -6.546 -4.653 1.00 0.00 N ATOM 1253 CA GLY A 78 6.236 -7.822 -4.105 1.00 0.00 C ATOM 1254 C GLY A 78 7.409 -8.646 -3.617 1.00 0.00 C ATOM 1255 O GLY A 78 7.262 -9.828 -3.307 1.00 0.00 O ATOM 0 H GLY A 78 6.727 -5.793 -3.970 1.00 0.00 H new ATOM 0 HA2 GLY A 78 5.545 -7.653 -3.279 1.00 0.00 H new ATOM 0 HA3 GLY A 78 5.692 -8.382 -4.866 1.00 0.00 H new ATOM 1259 N ARG A 79 8.577 -8.020 -3.539 1.00 0.00 N ATOM 1260 CA ARG A 79 9.785 -8.710 -3.109 1.00 0.00 C ATOM 1261 C ARG A 79 9.995 -8.551 -1.605 1.00 0.00 C ATOM 1262 O ARG A 79 10.469 -9.473 -0.945 1.00 0.00 O ATOM 1263 CB ARG A 79 11.005 -8.177 -3.872 1.00 0.00 C ATOM 1264 CG ARG A 79 12.326 -8.841 -3.492 1.00 0.00 C ATOM 1265 CD ARG A 79 12.447 -10.262 -4.036 1.00 0.00 C ATOM 1266 NE ARG A 79 11.448 -11.173 -3.473 1.00 0.00 N ATOM 1267 CZ ARG A 79 11.733 -12.172 -2.637 1.00 0.00 C ATOM 1268 NH1 ARG A 79 12.985 -12.395 -2.254 1.00 0.00 N ATOM 1269 NH2 ARG A 79 10.763 -12.953 -2.187 1.00 0.00 N ATOM 0 H ARG A 79 8.712 -7.035 -3.768 1.00 0.00 H new ATOM 0 HA ARG A 79 9.667 -9.771 -3.330 1.00 0.00 H new ATOM 0 HB2 ARG A 79 10.838 -8.313 -4.940 1.00 0.00 H new ATOM 0 HB3 ARG A 79 11.088 -7.104 -3.697 1.00 0.00 H new ATOM 0 HG2 ARG A 79 13.153 -8.240 -3.870 1.00 0.00 H new ATOM 0 HG3 ARG A 79 12.418 -8.863 -2.406 1.00 0.00 H new ATOM 0 HD2 ARG A 79 12.342 -10.241 -5.121 1.00 0.00 H new ATOM 0 HD3 ARG A 79 13.444 -10.645 -3.820 1.00 0.00 H new ATOM 0 HE ARG A 79 10.473 -11.035 -3.737 1.00 0.00 H new ATOM 0 HH11 ARG A 79 13.738 -11.800 -2.600 1.00 0.00 H new ATOM 0 HH12 ARG A 79 13.194 -13.161 -1.614 1.00 0.00 H new ATOM 0 HH21 ARG A 79 9.800 -12.790 -2.480 1.00 0.00 H new ATOM 0 HH22 ARG A 79 10.979 -13.718 -1.547 1.00 0.00 H new ATOM 1283 N ASN A 80 9.632 -7.377 -1.084 1.00 0.00 N ATOM 1284 CA ASN A 80 9.784 -7.058 0.345 1.00 0.00 C ATOM 1285 C ASN A 80 11.259 -6.885 0.716 1.00 0.00 C ATOM 1286 O ASN A 80 12.025 -7.851 0.748 1.00 0.00 O ATOM 1287 CB ASN A 80 9.129 -8.130 1.229 1.00 0.00 C ATOM 1288 CG ASN A 80 9.296 -7.856 2.714 1.00 0.00 C ATOM 1289 OD1 ASN A 80 9.382 -6.707 3.144 1.00 0.00 O ATOM 1290 ND2 ASN A 80 9.340 -8.916 3.507 1.00 0.00 N ATOM 0 H ASN A 80 9.226 -6.621 -1.635 1.00 0.00 H new ATOM 0 HA ASN A 80 9.272 -6.113 0.525 1.00 0.00 H new ATOM 0 HB2 ASN A 80 8.066 -8.189 0.993 1.00 0.00 H new ATOM 0 HB3 ASN A 80 9.562 -9.102 0.993 1.00 0.00 H new ATOM 0 HD21 ASN A 80 9.449 -8.795 4.514 1.00 0.00 H new ATOM 0 HD22 ASN A 80 9.265 -9.853 3.111 1.00 0.00 H new ATOM 1297 N PRO A 81 11.683 -5.642 0.994 1.00 0.00 N ATOM 1298 CA PRO A 81 13.075 -5.330 1.319 1.00 0.00 C ATOM 1299 C PRO A 81 13.467 -5.757 2.735 1.00 0.00 C ATOM 1300 O PRO A 81 13.773 -4.921 3.585 1.00 0.00 O ATOM 1301 CB PRO A 81 13.157 -3.799 1.188 1.00 0.00 C ATOM 1302 CG PRO A 81 11.836 -3.360 0.645 1.00 0.00 C ATOM 1303 CD PRO A 81 10.851 -4.434 1.001 1.00 0.00 C ATOM 0 HA PRO A 81 13.759 -5.865 0.660 1.00 0.00 H new ATOM 0 HB2 PRO A 81 13.355 -3.335 2.154 1.00 0.00 H new ATOM 0 HB3 PRO A 81 13.969 -3.507 0.522 1.00 0.00 H new ATOM 0 HG2 PRO A 81 11.539 -2.403 1.074 1.00 0.00 H new ATOM 0 HG3 PRO A 81 11.887 -3.223 -0.435 1.00 0.00 H new ATOM 0 HD2 PRO A 81 10.396 -4.260 1.976 1.00 0.00 H new ATOM 0 HD3 PRO A 81 10.039 -4.496 0.277 1.00 0.00 H new ATOM 1311 N SER A 82 13.462 -7.058 2.986 1.00 0.00 N ATOM 1312 CA SER A 82 13.836 -7.578 4.293 1.00 0.00 C ATOM 1313 C SER A 82 15.328 -7.913 4.333 1.00 0.00 C ATOM 1314 O SER A 82 15.967 -7.830 5.382 1.00 0.00 O ATOM 1315 CB SER A 82 12.999 -8.818 4.628 1.00 0.00 C ATOM 1316 OG SER A 82 13.199 -9.226 5.971 1.00 0.00 O ATOM 0 H SER A 82 13.204 -7.771 2.304 1.00 0.00 H new ATOM 0 HA SER A 82 13.639 -6.810 5.041 1.00 0.00 H new ATOM 0 HB2 SER A 82 11.943 -8.602 4.465 1.00 0.00 H new ATOM 0 HB3 SER A 82 13.266 -9.632 3.954 1.00 0.00 H new ATOM 0 HG SER A 82 12.652 -10.018 6.157 1.00 0.00 H new ATOM 1322 N ASP A 83 15.880 -8.270 3.180 1.00 0.00 N ATOM 1323 CA ASP A 83 17.290 -8.659 3.085 1.00 0.00 C ATOM 1324 C ASP A 83 18.191 -7.435 2.966 1.00 0.00 C ATOM 1325 O ASP A 83 19.369 -7.469 3.332 1.00 0.00 O ATOM 1326 CB ASP A 83 17.497 -9.571 1.870 1.00 0.00 C ATOM 1327 CG ASP A 83 18.929 -10.053 1.731 1.00 0.00 C ATOM 1328 OD1 ASP A 83 19.263 -11.106 2.315 1.00 0.00 O ATOM 1329 OD2 ASP A 83 19.722 -9.392 1.032 1.00 0.00 O ATOM 0 H ASP A 83 15.376 -8.300 2.294 1.00 0.00 H new ATOM 0 HA ASP A 83 17.557 -9.194 3.996 1.00 0.00 H new ATOM 0 HB2 ASP A 83 16.835 -10.433 1.952 1.00 0.00 H new ATOM 0 HB3 ASP A 83 17.210 -9.034 0.966 1.00 0.00 H new ATOM 1334 N PHE A 84 17.618 -6.349 2.483 1.00 0.00 N ATOM 1335 CA PHE A 84 18.378 -5.148 2.169 1.00 0.00 C ATOM 1336 C PHE A 84 18.611 -4.312 3.418 1.00 0.00 C ATOM 1337 O PHE A 84 17.672 -3.967 4.137 1.00 0.00 O ATOM 1338 CB PHE A 84 17.654 -4.329 1.103 1.00 0.00 C ATOM 1339 CG PHE A 84 17.354 -5.121 -0.137 1.00 0.00 C ATOM 1340 CD1 PHE A 84 16.208 -5.893 -0.218 1.00 0.00 C ATOM 1341 CD2 PHE A 84 18.217 -5.101 -1.218 1.00 0.00 C ATOM 1342 CE1 PHE A 84 15.928 -6.630 -1.348 1.00 0.00 C ATOM 1343 CE2 PHE A 84 17.943 -5.837 -2.353 1.00 0.00 C ATOM 1344 CZ PHE A 84 16.796 -6.600 -2.419 1.00 0.00 C ATOM 0 H PHE A 84 16.618 -6.271 2.297 1.00 0.00 H new ATOM 0 HA PHE A 84 19.350 -5.449 1.778 1.00 0.00 H new ATOM 0 HB2 PHE A 84 16.722 -3.945 1.518 1.00 0.00 H new ATOM 0 HB3 PHE A 84 18.264 -3.466 0.838 1.00 0.00 H new ATOM 0 HD1 PHE A 84 15.523 -5.918 0.617 1.00 0.00 H new ATOM 0 HD2 PHE A 84 19.115 -4.503 -1.173 1.00 0.00 H new ATOM 0 HE1 PHE A 84 15.031 -7.230 -1.395 1.00 0.00 H new ATOM 0 HE2 PHE A 84 18.626 -5.815 -3.189 1.00 0.00 H new ATOM 0 HZ PHE A 84 16.578 -7.173 -3.308 1.00 0.00 H new ATOM 1354 N LYS A 85 19.869 -3.991 3.662 1.00 0.00 N ATOM 1355 CA LYS A 85 20.270 -3.263 4.850 1.00 0.00 C ATOM 1356 C LYS A 85 20.679 -1.849 4.467 1.00 0.00 C ATOM 1357 O LYS A 85 20.108 -0.862 4.936 1.00 0.00 O ATOM 1358 CB LYS A 85 21.454 -3.976 5.498 1.00 0.00 C ATOM 1359 CG LYS A 85 21.383 -5.491 5.377 1.00 0.00 C ATOM 1360 CD LYS A 85 22.768 -6.110 5.335 1.00 0.00 C ATOM 1361 CE LYS A 85 22.717 -7.563 4.888 1.00 0.00 C ATOM 1362 NZ LYS A 85 22.110 -7.720 3.534 1.00 0.00 N ATOM 0 H LYS A 85 20.642 -4.229 3.040 1.00 0.00 H new ATOM 0 HA LYS A 85 19.437 -3.220 5.552 1.00 0.00 H new ATOM 0 HB2 LYS A 85 22.377 -3.624 5.038 1.00 0.00 H new ATOM 0 HB3 LYS A 85 21.500 -3.704 6.553 1.00 0.00 H new ATOM 0 HG2 LYS A 85 20.826 -5.899 6.221 1.00 0.00 H new ATOM 0 HG3 LYS A 85 20.835 -5.760 4.474 1.00 0.00 H new ATOM 0 HD2 LYS A 85 23.401 -5.541 4.654 1.00 0.00 H new ATOM 0 HD3 LYS A 85 23.225 -6.048 6.323 1.00 0.00 H new ATOM 0 HE2 LYS A 85 23.727 -7.974 4.881 1.00 0.00 H new ATOM 0 HE3 LYS A 85 22.142 -8.143 5.610 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 22.486 -8.578 3.082 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 21.077 -7.800 3.624 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 22.344 -6.891 2.951 1.00 0.00 H new ATOM 1376 N ASN A 86 21.662 -1.773 3.580 1.00 0.00 N ATOM 1377 CA ASN A 86 22.204 -0.501 3.123 1.00 0.00 C ATOM 1378 C ASN A 86 21.422 -0.025 1.899 1.00 0.00 C ATOM 1379 O ASN A 86 20.833 -0.834 1.179 1.00 0.00 O ATOM 1380 CB ASN A 86 23.695 -0.675 2.787 1.00 0.00 C ATOM 1381 CG ASN A 86 24.466 0.634 2.696 1.00 0.00 C ATOM 1382 OD1 ASN A 86 23.930 1.674 2.316 1.00 0.00 O ATOM 1383 ND2 ASN A 86 25.743 0.591 3.047 1.00 0.00 N ATOM 0 H ASN A 86 22.105 -2.589 3.158 1.00 0.00 H new ATOM 0 HA ASN A 86 22.109 0.250 3.907 1.00 0.00 H new ATOM 0 HB2 ASN A 86 24.157 -1.305 3.547 1.00 0.00 H new ATOM 0 HB3 ASN A 86 23.784 -1.204 1.838 1.00 0.00 H new ATOM 0 HD21 ASN A 86 26.312 1.437 3.006 1.00 0.00 H new ATOM 0 HD22 ASN A 86 26.157 -0.288 3.358 1.00 0.00 H new ATOM 1390 N ALA A 87 21.402 1.285 1.671 1.00 0.00 N ATOM 1391 CA ALA A 87 20.723 1.857 0.516 1.00 0.00 C ATOM 1392 C ALA A 87 21.334 1.335 -0.779 1.00 0.00 C ATOM 1393 O ALA A 87 20.640 1.189 -1.787 1.00 0.00 O ATOM 1394 CB ALA A 87 20.788 3.376 0.561 1.00 0.00 C ATOM 0 H ALA A 87 21.851 1.973 2.276 1.00 0.00 H new ATOM 0 HA ALA A 87 19.676 1.554 0.547 1.00 0.00 H new ATOM 0 HB1 ALA A 87 20.276 3.788 -0.309 1.00 0.00 H new ATOM 0 HB2 ALA A 87 20.304 3.734 1.470 1.00 0.00 H new ATOM 0 HB3 ALA A 87 21.830 3.696 0.554 1.00 0.00 H new ATOM 1400 N ASP A 88 22.630 1.042 -0.726 1.00 0.00 N ATOM 1401 CA ASP A 88 23.365 0.490 -1.867 1.00 0.00 C ATOM 1402 C ASP A 88 22.683 -0.763 -2.413 1.00 0.00 C ATOM 1403 O ASP A 88 22.359 -0.835 -3.598 1.00 0.00 O ATOM 1404 CB ASP A 88 24.801 0.162 -1.449 1.00 0.00 C ATOM 1405 CG ASP A 88 25.556 -0.628 -2.501 1.00 0.00 C ATOM 1406 OD1 ASP A 88 26.100 -0.016 -3.436 1.00 0.00 O ATOM 1407 OD2 ASP A 88 25.626 -1.868 -2.382 1.00 0.00 O ATOM 0 H ASP A 88 23.203 1.179 0.107 1.00 0.00 H new ATOM 0 HA ASP A 88 23.377 1.240 -2.658 1.00 0.00 H new ATOM 0 HB2 ASP A 88 25.336 1.090 -1.245 1.00 0.00 H new ATOM 0 HB3 ASP A 88 24.783 -0.406 -0.519 1.00 0.00 H new ATOM 1412 N GLU A 89 22.450 -1.733 -1.532 1.00 0.00 N ATOM 1413 CA GLU A 89 21.812 -2.993 -1.908 1.00 0.00 C ATOM 1414 C GLU A 89 20.456 -2.736 -2.558 1.00 0.00 C ATOM 1415 O GLU A 89 20.065 -3.411 -3.514 1.00 0.00 O ATOM 1416 CB GLU A 89 21.623 -3.874 -0.670 1.00 0.00 C ATOM 1417 CG GLU A 89 22.911 -4.166 0.083 1.00 0.00 C ATOM 1418 CD GLU A 89 22.659 -4.862 1.405 1.00 0.00 C ATOM 1419 OE1 GLU A 89 22.283 -4.173 2.375 1.00 0.00 O ATOM 1420 OE2 GLU A 89 22.821 -6.100 1.477 1.00 0.00 O ATOM 0 H GLU A 89 22.696 -1.669 -0.544 1.00 0.00 H new ATOM 0 HA GLU A 89 22.457 -3.503 -2.624 1.00 0.00 H new ATOM 0 HB2 GLU A 89 20.921 -3.387 0.007 1.00 0.00 H new ATOM 0 HB3 GLU A 89 21.170 -4.818 -0.974 1.00 0.00 H new ATOM 0 HG2 GLU A 89 23.558 -4.789 -0.535 1.00 0.00 H new ATOM 0 HG3 GLU A 89 23.444 -3.232 0.262 1.00 0.00 H new ATOM 1427 N ARG A 90 19.756 -1.736 -2.039 1.00 0.00 N ATOM 1428 CA ARG A 90 18.430 -1.385 -2.521 1.00 0.00 C ATOM 1429 C ARG A 90 18.511 -0.813 -3.933 1.00 0.00 C ATOM 1430 O ARG A 90 17.745 -1.200 -4.812 1.00 0.00 O ATOM 1431 CB ARG A 90 17.786 -0.367 -1.572 1.00 0.00 C ATOM 1432 CG ARG A 90 17.893 -0.766 -0.109 1.00 0.00 C ATOM 1433 CD ARG A 90 17.360 0.312 0.825 1.00 0.00 C ATOM 1434 NE ARG A 90 17.719 0.029 2.219 1.00 0.00 N ATOM 1435 CZ ARG A 90 16.855 -0.363 3.159 1.00 0.00 C ATOM 1436 NH1 ARG A 90 15.564 -0.485 2.881 1.00 0.00 N ATOM 1437 NH2 ARG A 90 17.284 -0.633 4.385 1.00 0.00 N ATOM 0 H ARG A 90 20.091 -1.149 -1.275 1.00 0.00 H new ATOM 0 HA ARG A 90 17.815 -2.284 -2.549 1.00 0.00 H new ATOM 0 HB2 ARG A 90 18.261 0.604 -1.713 1.00 0.00 H new ATOM 0 HB3 ARG A 90 16.735 -0.249 -1.834 1.00 0.00 H new ATOM 0 HG2 ARG A 90 17.340 -1.691 0.054 1.00 0.00 H new ATOM 0 HG3 ARG A 90 18.936 -0.971 0.134 1.00 0.00 H new ATOM 0 HD2 ARG A 90 17.762 1.282 0.533 1.00 0.00 H new ATOM 0 HD3 ARG A 90 16.276 0.375 0.731 1.00 0.00 H new ATOM 0 HE ARG A 90 18.696 0.139 2.489 1.00 0.00 H new ATOM 0 HH11 ARG A 90 15.223 -0.279 1.942 1.00 0.00 H new ATOM 0 HH12 ARG A 90 14.912 -0.785 3.606 1.00 0.00 H new ATOM 0 HH21 ARG A 90 18.275 -0.541 4.610 1.00 0.00 H new ATOM 0 HH22 ARG A 90 16.623 -0.932 5.102 1.00 0.00 H new ATOM 1451 N ILE A 91 19.459 0.094 -4.145 1.00 0.00 N ATOM 1452 CA ILE A 91 19.644 0.727 -5.446 1.00 0.00 C ATOM 1453 C ILE A 91 20.079 -0.302 -6.488 1.00 0.00 C ATOM 1454 O ILE A 91 19.564 -0.323 -7.607 1.00 0.00 O ATOM 1455 CB ILE A 91 20.695 1.859 -5.376 1.00 0.00 C ATOM 1456 CG1 ILE A 91 20.281 2.904 -4.337 1.00 0.00 C ATOM 1457 CG2 ILE A 91 20.876 2.514 -6.740 1.00 0.00 C ATOM 1458 CD1 ILE A 91 21.332 3.965 -4.092 1.00 0.00 C ATOM 0 H ILE A 91 20.114 0.408 -3.429 1.00 0.00 H new ATOM 0 HA ILE A 91 18.686 1.157 -5.738 1.00 0.00 H new ATOM 0 HB ILE A 91 21.648 1.423 -5.076 1.00 0.00 H new ATOM 0 HG12 ILE A 91 19.360 3.386 -4.666 1.00 0.00 H new ATOM 0 HG13 ILE A 91 20.059 2.400 -3.396 1.00 0.00 H new ATOM 0 HG21 ILE A 91 21.620 3.307 -6.667 1.00 0.00 H new ATOM 0 HG22 ILE A 91 21.211 1.768 -7.460 1.00 0.00 H new ATOM 0 HG23 ILE A 91 19.927 2.936 -7.070 1.00 0.00 H new ATOM 0 HD11 ILE A 91 20.969 4.671 -3.345 1.00 0.00 H new ATOM 0 HD12 ILE A 91 22.247 3.494 -3.733 1.00 0.00 H new ATOM 0 HD13 ILE A 91 21.538 4.495 -5.022 1.00 0.00 H new ATOM 1470 N ALA A 92 21.010 -1.165 -6.098 1.00 0.00 N ATOM 1471 CA ALA A 92 21.536 -2.189 -6.993 1.00 0.00 C ATOM 1472 C ALA A 92 20.439 -3.147 -7.453 1.00 0.00 C ATOM 1473 O ALA A 92 20.434 -3.592 -8.603 1.00 0.00 O ATOM 1474 CB ALA A 92 22.656 -2.958 -6.309 1.00 0.00 C ATOM 0 H ALA A 92 21.418 -1.176 -5.163 1.00 0.00 H new ATOM 0 HA ALA A 92 21.933 -1.690 -7.877 1.00 0.00 H new ATOM 0 HB1 ALA A 92 23.041 -3.720 -6.987 1.00 0.00 H new ATOM 0 HB2 ALA A 92 23.459 -2.271 -6.042 1.00 0.00 H new ATOM 0 HB3 ALA A 92 22.272 -3.435 -5.407 1.00 0.00 H new ATOM 1480 N TYR A 93 19.504 -3.451 -6.558 1.00 0.00 N ATOM 1481 CA TYR A 93 18.408 -4.354 -6.886 1.00 0.00 C ATOM 1482 C TYR A 93 17.439 -3.678 -7.846 1.00 0.00 C ATOM 1483 O TYR A 93 16.994 -4.285 -8.819 1.00 0.00 O ATOM 1484 CB TYR A 93 17.669 -4.799 -5.625 1.00 0.00 C ATOM 1485 CG TYR A 93 16.742 -5.975 -5.847 1.00 0.00 C ATOM 1486 CD1 TYR A 93 17.248 -7.262 -5.989 1.00 0.00 C ATOM 1487 CD2 TYR A 93 15.365 -5.802 -5.910 1.00 0.00 C ATOM 1488 CE1 TYR A 93 16.409 -8.339 -6.191 1.00 0.00 C ATOM 1489 CE2 TYR A 93 14.519 -6.875 -6.110 1.00 0.00 C ATOM 1490 CZ TYR A 93 15.046 -8.142 -6.248 1.00 0.00 C ATOM 1491 OH TYR A 93 14.210 -9.217 -6.444 1.00 0.00 O ATOM 0 H TYR A 93 19.484 -3.087 -5.605 1.00 0.00 H new ATOM 0 HA TYR A 93 18.829 -5.237 -7.366 1.00 0.00 H new ATOM 0 HB2 TYR A 93 18.400 -5.063 -4.860 1.00 0.00 H new ATOM 0 HB3 TYR A 93 17.091 -3.960 -5.238 1.00 0.00 H new ATOM 0 HD1 TYR A 93 18.315 -7.422 -5.940 1.00 0.00 H new ATOM 0 HD2 TYR A 93 14.949 -4.811 -5.801 1.00 0.00 H new ATOM 0 HE1 TYR A 93 16.819 -9.332 -6.304 1.00 0.00 H new ATOM 0 HE2 TYR A 93 13.451 -6.723 -6.158 1.00 0.00 H new ATOM 0 HH TYR A 93 14.617 -10.022 -6.061 1.00 0.00 H new ATOM 1501 N ILE A 94 17.129 -2.417 -7.573 1.00 0.00 N ATOM 1502 CA ILE A 94 16.246 -1.641 -8.435 1.00 0.00 C ATOM 1503 C ILE A 94 16.831 -1.554 -9.847 1.00 0.00 C ATOM 1504 O ILE A 94 16.124 -1.740 -10.837 1.00 0.00 O ATOM 1505 CB ILE A 94 16.003 -0.223 -7.858 1.00 0.00 C ATOM 1506 CG1 ILE A 94 15.338 -0.329 -6.476 1.00 0.00 C ATOM 1507 CG2 ILE A 94 15.142 0.603 -8.804 1.00 0.00 C ATOM 1508 CD1 ILE A 94 15.217 0.993 -5.731 1.00 0.00 C ATOM 0 H ILE A 94 17.477 -1.909 -6.760 1.00 0.00 H new ATOM 0 HA ILE A 94 15.283 -2.150 -8.483 1.00 0.00 H new ATOM 0 HB ILE A 94 16.964 0.281 -7.750 1.00 0.00 H new ATOM 0 HG12 ILE A 94 14.342 -0.756 -6.598 1.00 0.00 H new ATOM 0 HG13 ILE A 94 15.911 -1.026 -5.864 1.00 0.00 H new ATOM 0 HG21 ILE A 94 14.984 1.595 -8.380 1.00 0.00 H new ATOM 0 HG22 ILE A 94 15.645 0.696 -9.766 1.00 0.00 H new ATOM 0 HG23 ILE A 94 14.180 0.110 -8.944 1.00 0.00 H new ATOM 0 HD11 ILE A 94 14.737 0.825 -4.767 1.00 0.00 H new ATOM 0 HD12 ILE A 94 16.210 1.414 -5.573 1.00 0.00 H new ATOM 0 HD13 ILE A 94 14.617 1.688 -6.319 1.00 0.00 H new ATOM 1520 N LEU A 95 18.139 -1.316 -9.925 1.00 0.00 N ATOM 1521 CA LEU A 95 18.852 -1.316 -11.202 1.00 0.00 C ATOM 1522 C LEU A 95 18.691 -2.649 -11.926 1.00 0.00 C ATOM 1523 O LEU A 95 18.531 -2.691 -13.146 1.00 0.00 O ATOM 1524 CB LEU A 95 20.345 -1.052 -10.987 1.00 0.00 C ATOM 1525 CG LEU A 95 20.753 0.415 -10.861 1.00 0.00 C ATOM 1526 CD1 LEU A 95 22.232 0.517 -10.522 1.00 0.00 C ATOM 1527 CD2 LEU A 95 20.448 1.159 -12.153 1.00 0.00 C ATOM 0 H LEU A 95 18.729 -1.120 -9.116 1.00 0.00 H new ATOM 0 HA LEU A 95 18.420 -0.522 -11.812 1.00 0.00 H new ATOM 0 HB2 LEU A 95 20.660 -1.575 -10.084 1.00 0.00 H new ATOM 0 HB3 LEU A 95 20.895 -1.492 -11.819 1.00 0.00 H new ATOM 0 HG LEU A 95 20.179 0.874 -10.056 1.00 0.00 H new ATOM 0 HD11 LEU A 95 22.514 1.566 -10.434 1.00 0.00 H new ATOM 0 HD12 LEU A 95 22.424 0.009 -9.577 1.00 0.00 H new ATOM 0 HD13 LEU A 95 22.819 0.049 -11.312 1.00 0.00 H new ATOM 0 HD21 LEU A 95 20.743 2.203 -12.050 1.00 0.00 H new ATOM 0 HD22 LEU A 95 21.002 0.704 -12.974 1.00 0.00 H new ATOM 0 HD23 LEU A 95 19.380 1.103 -12.362 1.00 0.00 H new ATOM 1539 N LYS A 96 18.722 -3.732 -11.163 1.00 0.00 N ATOM 1540 CA LYS A 96 18.692 -5.069 -11.735 1.00 0.00 C ATOM 1541 C LYS A 96 17.334 -5.361 -12.375 1.00 0.00 C ATOM 1542 O LYS A 96 17.239 -6.144 -13.318 1.00 0.00 O ATOM 1543 CB LYS A 96 19.014 -6.114 -10.663 1.00 0.00 C ATOM 1544 CG LYS A 96 19.674 -7.360 -11.223 1.00 0.00 C ATOM 1545 CD LYS A 96 19.998 -8.363 -10.131 1.00 0.00 C ATOM 1546 CE LYS A 96 20.904 -9.472 -10.647 1.00 0.00 C ATOM 1547 NZ LYS A 96 20.333 -10.153 -11.838 1.00 0.00 N ATOM 0 H LYS A 96 18.768 -3.710 -10.144 1.00 0.00 H new ATOM 0 HA LYS A 96 19.451 -5.122 -12.515 1.00 0.00 H new ATOM 0 HB2 LYS A 96 19.670 -5.668 -9.915 1.00 0.00 H new ATOM 0 HB3 LYS A 96 18.094 -6.397 -10.152 1.00 0.00 H new ATOM 0 HG2 LYS A 96 19.015 -7.822 -11.958 1.00 0.00 H new ATOM 0 HG3 LYS A 96 20.589 -7.083 -11.746 1.00 0.00 H new ATOM 0 HD2 LYS A 96 20.483 -7.853 -9.298 1.00 0.00 H new ATOM 0 HD3 LYS A 96 19.074 -8.795 -9.746 1.00 0.00 H new ATOM 0 HE2 LYS A 96 21.878 -9.054 -10.901 1.00 0.00 H new ATOM 0 HE3 LYS A 96 21.067 -10.203 -9.856 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 20.912 -10.984 -12.073 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 19.360 -10.456 -11.631 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 20.327 -9.496 -12.644 1.00 0.00 H new ATOM 1561 N GLN A 97 16.283 -4.719 -11.876 1.00 0.00 N ATOM 1562 CA GLN A 97 14.954 -4.911 -12.448 1.00 0.00 C ATOM 1563 C GLN A 97 14.757 -4.016 -13.662 1.00 0.00 C ATOM 1564 O GLN A 97 13.881 -4.263 -14.487 1.00 0.00 O ATOM 1565 CB GLN A 97 13.848 -4.664 -11.422 1.00 0.00 C ATOM 1566 CG GLN A 97 13.197 -5.948 -10.927 1.00 0.00 C ATOM 1567 CD GLN A 97 13.900 -6.566 -9.731 1.00 0.00 C ATOM 1568 OE1 GLN A 97 13.293 -7.298 -8.957 1.00 0.00 O ATOM 1569 NE2 GLN A 97 15.170 -6.246 -9.547 1.00 0.00 N ATOM 0 H GLN A 97 16.322 -4.071 -11.089 1.00 0.00 H new ATOM 0 HA GLN A 97 14.886 -5.953 -12.761 1.00 0.00 H new ATOM 0 HB2 GLN A 97 14.263 -4.123 -10.572 1.00 0.00 H new ATOM 0 HB3 GLN A 97 13.085 -4.024 -11.865 1.00 0.00 H new ATOM 0 HG2 GLN A 97 12.161 -5.740 -10.661 1.00 0.00 H new ATOM 0 HG3 GLN A 97 13.178 -6.673 -11.741 1.00 0.00 H new ATOM 0 HE21 GLN A 97 15.643 -5.634 -10.212 1.00 0.00 H new ATOM 0 HE22 GLN A 97 15.676 -6.611 -8.740 1.00 0.00 H new ATOM 1578 N ILE A 98 15.574 -2.977 -13.763 1.00 0.00 N ATOM 1579 CA ILE A 98 15.619 -2.161 -14.968 1.00 0.00 C ATOM 1580 C ILE A 98 16.191 -2.994 -16.107 1.00 0.00 C ATOM 1581 O ILE A 98 15.695 -2.969 -17.235 1.00 0.00 O ATOM 1582 CB ILE A 98 16.483 -0.897 -14.762 1.00 0.00 C ATOM 1583 CG1 ILE A 98 15.906 -0.047 -13.630 1.00 0.00 C ATOM 1584 CG2 ILE A 98 16.578 -0.088 -16.050 1.00 0.00 C ATOM 1585 CD1 ILE A 98 16.721 1.189 -13.320 1.00 0.00 C ATOM 0 H ILE A 98 16.214 -2.680 -13.026 1.00 0.00 H new ATOM 0 HA ILE A 98 14.606 -1.837 -15.207 1.00 0.00 H new ATOM 0 HB ILE A 98 17.491 -1.207 -14.488 1.00 0.00 H new ATOM 0 HG12 ILE A 98 14.892 0.254 -13.894 1.00 0.00 H new ATOM 0 HG13 ILE A 98 15.833 -0.658 -12.730 1.00 0.00 H new ATOM 0 HG21 ILE A 98 17.191 0.797 -15.879 1.00 0.00 H new ATOM 0 HG22 ILE A 98 17.031 -0.699 -16.831 1.00 0.00 H new ATOM 0 HG23 ILE A 98 15.579 0.217 -16.362 1.00 0.00 H new ATOM 0 HD11 ILE A 98 16.250 1.741 -12.507 1.00 0.00 H new ATOM 0 HD12 ILE A 98 17.728 0.896 -13.024 1.00 0.00 H new ATOM 0 HD13 ILE A 98 16.773 1.822 -14.206 1.00 0.00 H new ATOM 1597 N ASP A 99 17.228 -3.751 -15.783 1.00 0.00 N ATOM 1598 CA ASP A 99 17.828 -4.692 -16.721 1.00 0.00 C ATOM 1599 C ASP A 99 16.823 -5.771 -17.120 1.00 0.00 C ATOM 1600 O ASP A 99 16.733 -6.150 -18.288 1.00 0.00 O ATOM 1601 CB ASP A 99 19.066 -5.335 -16.091 1.00 0.00 C ATOM 1602 CG ASP A 99 19.582 -6.520 -16.882 1.00 0.00 C ATOM 1603 OD1 ASP A 99 20.212 -6.311 -17.944 1.00 0.00 O ATOM 1604 OD2 ASP A 99 19.380 -7.666 -16.437 1.00 0.00 O ATOM 0 H ASP A 99 17.677 -3.732 -14.867 1.00 0.00 H new ATOM 0 HA ASP A 99 18.123 -4.148 -17.619 1.00 0.00 H new ATOM 0 HB2 ASP A 99 19.855 -4.588 -16.009 1.00 0.00 H new ATOM 0 HB3 ASP A 99 18.826 -5.658 -15.078 1.00 0.00 H new