USER MOD reduce.3.24.130724 H: found=0, std=0, add=743, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 743 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 5 LYS NZ :NH3+ -167:sc= 0.926 (180deg=0) USER MOD Set 1.2: A 58 GLN : amide:sc= 0.813 K(o=1.7,f=-2.3) USER MOD Set 2.1: A 33 LYS NZ :NH3+ -164:sc= 0.682 (180deg=0) USER MOD Set 2.2: A 52 THR OG1 : rot 180:sc= 0.613 USER MOD Single : A 1 SER OG : rot 180:sc= 0.00272 USER MOD Single : A 2 SER OG : rot 17:sc= 0.695 USER MOD Single : A 6 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A -1 SER OG : rot 180:sc= 0.00546 USER MOD Single : A -2 SER OG : rot 180:sc= 0 USER MOD Single : A -3 GLY N :NH3+ 135:sc= 0.0124 (180deg=0) USER MOD Single : A 12 CYS SG : rot 82:sc= 0.209 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 MET CE :methyl -175:sc= -0.237 (180deg=-0.3) USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 TYR OH : rot 30:sc= 0 USER MOD Single : A 28 ASN : amide:sc= 0.373 K(o=0.37,f=-5.2!) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 32 GLN : amide:sc= 0.75 K(o=0.75,f=-0.14) USER MOD Single : A 35 MET CE :methyl -131:sc= 0 (180deg=-0.0553) USER MOD Single : A 36 CYS SG : rot 21:sc= -0.489 USER MOD Single : A 44 ASN : amide:sc= 0 X(o=0,f=-0.027) USER MOD Single : A 45 TYR OH : rot -157:sc= 0.757 USER MOD Single : A 48 MET CE :methyl -169:sc= 0 (180deg=-0.148) USER MOD Single : A 50 ASN : amide:sc= 0 X(o=0,f=-0.052) USER MOD Single : A 51 SER OG : rot -150:sc= -0.0255 USER MOD Single : A 53 ASN : amide:sc= 0.934 K(o=0.93,f=-0.58) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 SER OG : rot -13:sc= 0.0474 USER MOD Single : A 60 ASN : amide:sc= 0.924 K(o=0.92,f=0) USER MOD Single : A 67 ASN : amide:sc= 0.795 K(o=0.8,f=-8.3!) USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 ASN : amide:sc= -0.128 K(o=-0.13,f=-0.65) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 1.09 (180deg=1.09) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -3 16.637 -6.743 8.239 1.00 0.00 N ATOM 2 CA GLY A -3 15.679 -7.865 8.342 1.00 0.00 C ATOM 3 C GLY A -3 16.122 -9.053 7.500 1.00 0.00 C ATOM 4 O GLY A -3 16.627 -8.878 6.392 1.00 0.00 O ATOM 0 H1 GLY A -3 16.116 -5.853 8.105 1.00 0.00 H new ATOM 0 H2 GLY A -3 17.200 -6.686 9.111 1.00 0.00 H new ATOM 0 H3 GLY A -3 17.269 -6.900 7.428 1.00 0.00 H new ATOM 0 HA2 GLY A -3 15.585 -8.171 9.384 1.00 0.00 H new ATOM 0 HA3 GLY A -3 14.693 -7.534 8.017 1.00 0.00 H new ATOM 10 N SER A -2 15.939 -10.274 8.004 1.00 0.00 N ATOM 11 CA SER A -2 16.450 -11.512 7.376 1.00 0.00 C ATOM 12 C SER A -2 15.530 -12.101 6.285 1.00 0.00 C ATOM 13 O SER A -2 15.912 -13.050 5.597 1.00 0.00 O ATOM 14 CB SER A -2 16.705 -12.572 8.461 1.00 0.00 C ATOM 15 OG SER A -2 17.544 -12.070 9.498 1.00 0.00 O ATOM 0 H SER A -2 15.427 -10.442 8.870 1.00 0.00 H new ATOM 0 HA SER A -2 17.375 -11.233 6.871 1.00 0.00 H new ATOM 0 HB2 SER A -2 15.754 -12.895 8.886 1.00 0.00 H new ATOM 0 HB3 SER A -2 17.168 -13.450 8.011 1.00 0.00 H new ATOM 0 HG SER A -2 17.685 -12.768 10.172 1.00 0.00 H new ATOM 21 N SER A -1 14.325 -11.553 6.099 1.00 0.00 N ATOM 22 CA SER A -1 13.311 -12.002 5.128 1.00 0.00 C ATOM 23 C SER A -1 12.234 -10.917 4.903 1.00 0.00 C ATOM 24 O SER A -1 12.218 -9.889 5.592 1.00 0.00 O ATOM 25 CB SER A -1 12.681 -13.328 5.596 1.00 0.00 C ATOM 26 OG SER A -1 11.953 -13.958 4.549 1.00 0.00 O ATOM 0 H SER A -1 14.012 -10.749 6.643 1.00 0.00 H new ATOM 0 HA SER A -1 13.801 -12.174 4.170 1.00 0.00 H new ATOM 0 HB2 SER A -1 13.464 -13.999 5.951 1.00 0.00 H new ATOM 0 HB3 SER A -1 12.017 -13.139 6.439 1.00 0.00 H new ATOM 0 HG SER A -1 11.567 -14.797 4.877 1.00 0.00 H new ATOM 32 N GLY A 0 11.333 -11.134 3.936 1.00 0.00 N ATOM 33 CA GLY A 0 10.277 -10.195 3.531 1.00 0.00 C ATOM 34 C GLY A 0 10.733 -9.182 2.476 1.00 0.00 C ATOM 35 O GLY A 0 11.833 -9.274 1.928 1.00 0.00 O ATOM 0 H GLY A 0 11.318 -11.998 3.395 1.00 0.00 H new ATOM 0 HA2 GLY A 0 9.430 -10.759 3.140 1.00 0.00 H new ATOM 0 HA3 GLY A 0 9.923 -9.657 4.411 1.00 0.00 H new ATOM 39 N SER A 1 9.871 -8.208 2.180 1.00 0.00 N ATOM 40 CA SER A 1 10.091 -7.155 1.176 1.00 0.00 C ATOM 41 C SER A 1 9.112 -5.975 1.367 1.00 0.00 C ATOM 42 O SER A 1 8.198 -6.024 2.192 1.00 0.00 O ATOM 43 CB SER A 1 9.984 -7.740 -0.246 1.00 0.00 C ATOM 44 OG SER A 1 10.431 -6.811 -1.229 1.00 0.00 O ATOM 0 H SER A 1 8.968 -8.124 2.647 1.00 0.00 H new ATOM 0 HA SER A 1 11.099 -6.763 1.314 1.00 0.00 H new ATOM 0 HB2 SER A 1 10.577 -8.652 -0.310 1.00 0.00 H new ATOM 0 HB3 SER A 1 8.950 -8.017 -0.450 1.00 0.00 H new ATOM 0 HG SER A 1 10.352 -7.213 -2.119 1.00 0.00 H new ATOM 50 N SER A 2 9.305 -4.898 0.604 1.00 0.00 N ATOM 51 CA SER A 2 8.519 -3.646 0.610 1.00 0.00 C ATOM 52 C SER A 2 8.700 -2.868 -0.714 1.00 0.00 C ATOM 53 O SER A 2 8.639 -1.637 -0.745 1.00 0.00 O ATOM 54 CB SER A 2 8.892 -2.784 1.835 1.00 0.00 C ATOM 55 OG SER A 2 8.414 -3.344 3.051 1.00 0.00 O ATOM 0 H SER A 2 10.060 -4.867 -0.081 1.00 0.00 H new ATOM 0 HA SER A 2 7.462 -3.901 0.689 1.00 0.00 H new ATOM 0 HB2 SER A 2 9.976 -2.679 1.887 1.00 0.00 H new ATOM 0 HB3 SER A 2 8.480 -1.782 1.711 1.00 0.00 H new ATOM 0 HG SER A 2 8.184 -4.286 2.909 1.00 0.00 H new ATOM 61 N GLY A 3 8.946 -3.573 -1.831 1.00 0.00 N ATOM 62 CA GLY A 3 9.356 -2.971 -3.109 1.00 0.00 C ATOM 63 C GLY A 3 8.297 -2.077 -3.749 1.00 0.00 C ATOM 64 O GLY A 3 8.640 -1.068 -4.356 1.00 0.00 O ATOM 0 H GLY A 3 8.865 -4.589 -1.871 1.00 0.00 H new ATOM 0 HA2 GLY A 3 10.261 -2.385 -2.948 1.00 0.00 H new ATOM 0 HA3 GLY A 3 9.613 -3.768 -3.807 1.00 0.00 H new ATOM 68 N ILE A 4 7.010 -2.389 -3.567 1.00 0.00 N ATOM 69 CA ILE A 4 5.890 -1.529 -4.008 1.00 0.00 C ATOM 70 C ILE A 4 5.716 -0.285 -3.121 1.00 0.00 C ATOM 71 O ILE A 4 5.356 0.788 -3.604 1.00 0.00 O ATOM 72 CB ILE A 4 4.595 -2.367 -4.139 1.00 0.00 C ATOM 73 CG1 ILE A 4 3.425 -1.605 -4.795 1.00 0.00 C ATOM 74 CG2 ILE A 4 4.116 -2.912 -2.781 1.00 0.00 C ATOM 75 CD1 ILE A 4 3.708 -1.110 -6.215 1.00 0.00 C ATOM 0 H ILE A 4 6.707 -3.248 -3.108 1.00 0.00 H new ATOM 0 HA ILE A 4 6.131 -1.137 -4.996 1.00 0.00 H new ATOM 0 HB ILE A 4 4.877 -3.191 -4.794 1.00 0.00 H new ATOM 0 HG12 ILE A 4 2.551 -2.256 -4.818 1.00 0.00 H new ATOM 0 HG13 ILE A 4 3.169 -0.750 -4.170 1.00 0.00 H new ATOM 0 HG21 ILE A 4 3.205 -3.493 -2.923 1.00 0.00 H new ATOM 0 HG22 ILE A 4 4.889 -3.549 -2.351 1.00 0.00 H new ATOM 0 HG23 ILE A 4 3.914 -2.080 -2.106 1.00 0.00 H new ATOM 0 HD11 ILE A 4 2.833 -0.586 -6.599 1.00 0.00 H new ATOM 0 HD12 ILE A 4 4.560 -0.431 -6.200 1.00 0.00 H new ATOM 0 HD13 ILE A 4 3.933 -1.960 -6.859 1.00 0.00 H new ATOM 87 N LYS A 5 6.064 -0.394 -1.838 1.00 0.00 N ATOM 88 CA LYS A 5 6.071 0.719 -0.880 1.00 0.00 C ATOM 89 C LYS A 5 7.203 1.710 -1.211 1.00 0.00 C ATOM 90 O LYS A 5 6.997 2.924 -1.225 1.00 0.00 O ATOM 91 CB LYS A 5 6.169 0.113 0.539 1.00 0.00 C ATOM 92 CG LYS A 5 5.303 0.816 1.592 1.00 0.00 C ATOM 93 CD LYS A 5 5.880 2.114 2.173 1.00 0.00 C ATOM 94 CE LYS A 5 7.111 1.844 3.051 1.00 0.00 C ATOM 95 NZ LYS A 5 7.306 2.919 4.059 1.00 0.00 N ATOM 0 H LYS A 5 6.356 -1.279 -1.424 1.00 0.00 H new ATOM 0 HA LYS A 5 5.154 1.305 -0.938 1.00 0.00 H new ATOM 0 HB2 LYS A 5 5.881 -0.937 0.493 1.00 0.00 H new ATOM 0 HB3 LYS A 5 7.209 0.144 0.863 1.00 0.00 H new ATOM 0 HG2 LYS A 5 4.333 1.039 1.147 1.00 0.00 H new ATOM 0 HG3 LYS A 5 5.125 0.120 2.412 1.00 0.00 H new ATOM 0 HD2 LYS A 5 6.153 2.787 1.360 1.00 0.00 H new ATOM 0 HD3 LYS A 5 5.116 2.620 2.763 1.00 0.00 H new ATOM 0 HE2 LYS A 5 6.995 0.886 3.557 1.00 0.00 H new ATOM 0 HE3 LYS A 5 7.998 1.768 2.422 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 8.251 2.829 4.484 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 7.220 3.847 3.598 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 6.583 2.834 4.802 1.00 0.00 H new ATOM 109 N ASN A 6 8.375 1.185 -1.583 1.00 0.00 N ATOM 110 CA ASN A 6 9.494 1.965 -2.114 1.00 0.00 C ATOM 111 C ASN A 6 9.213 2.534 -3.522 1.00 0.00 C ATOM 112 O ASN A 6 9.681 3.626 -3.839 1.00 0.00 O ATOM 113 CB ASN A 6 10.749 1.080 -2.122 1.00 0.00 C ATOM 114 CG ASN A 6 12.000 1.858 -2.524 1.00 0.00 C ATOM 115 OD1 ASN A 6 12.366 2.848 -1.900 1.00 0.00 O ATOM 116 ND2 ASN A 6 12.687 1.441 -3.573 1.00 0.00 N ATOM 0 H ASN A 6 8.575 0.187 -1.522 1.00 0.00 H new ATOM 0 HA ASN A 6 9.645 2.829 -1.467 1.00 0.00 H new ATOM 0 HB2 ASN A 6 10.894 0.649 -1.131 1.00 0.00 H new ATOM 0 HB3 ASN A 6 10.602 0.250 -2.813 1.00 0.00 H new ATOM 0 HD21 ASN A 6 13.525 1.943 -3.866 1.00 0.00 H new ATOM 0 HD22 ASN A 6 12.379 0.617 -4.089 1.00 0.00 H new ATOM 123 N PHE A 7 8.421 1.844 -4.355 1.00 0.00 N ATOM 124 CA PHE A 7 8.068 2.303 -5.701 1.00 0.00 C ATOM 125 C PHE A 7 7.185 3.553 -5.666 1.00 0.00 C ATOM 126 O PHE A 7 7.446 4.485 -6.422 1.00 0.00 O ATOM 127 CB PHE A 7 7.385 1.173 -6.482 1.00 0.00 C ATOM 128 CG PHE A 7 6.921 1.571 -7.869 1.00 0.00 C ATOM 129 CD1 PHE A 7 7.832 1.587 -8.943 1.00 0.00 C ATOM 130 CD2 PHE A 7 5.584 1.955 -8.082 1.00 0.00 C ATOM 131 CE1 PHE A 7 7.402 1.982 -10.224 1.00 0.00 C ATOM 132 CE2 PHE A 7 5.157 2.350 -9.362 1.00 0.00 C ATOM 133 CZ PHE A 7 6.065 2.359 -10.434 1.00 0.00 C ATOM 0 H PHE A 7 8.006 0.945 -4.109 1.00 0.00 H new ATOM 0 HA PHE A 7 8.991 2.579 -6.212 1.00 0.00 H new ATOM 0 HB2 PHE A 7 8.078 0.336 -6.569 1.00 0.00 H new ATOM 0 HB3 PHE A 7 6.527 0.819 -5.911 1.00 0.00 H new ATOM 0 HD1 PHE A 7 8.860 1.296 -8.784 1.00 0.00 H new ATOM 0 HD2 PHE A 7 4.884 1.946 -7.260 1.00 0.00 H new ATOM 0 HE1 PHE A 7 8.101 1.995 -11.047 1.00 0.00 H new ATOM 0 HE2 PHE A 7 4.131 2.647 -9.521 1.00 0.00 H new ATOM 0 HZ PHE A 7 5.735 2.656 -11.419 1.00 0.00 H new ATOM 143 N LEU A 8 6.195 3.617 -4.764 1.00 0.00 N ATOM 144 CA LEU A 8 5.392 4.832 -4.576 1.00 0.00 C ATOM 145 C LEU A 8 6.259 6.003 -4.098 1.00 0.00 C ATOM 146 O LEU A 8 6.147 7.112 -4.621 1.00 0.00 O ATOM 147 CB LEU A 8 4.235 4.539 -3.604 1.00 0.00 C ATOM 148 CG LEU A 8 3.266 5.728 -3.401 1.00 0.00 C ATOM 149 CD1 LEU A 8 2.730 6.325 -4.713 1.00 0.00 C ATOM 150 CD2 LEU A 8 2.074 5.274 -2.549 1.00 0.00 C ATOM 0 H LEU A 8 5.932 2.843 -4.155 1.00 0.00 H new ATOM 0 HA LEU A 8 4.968 5.131 -5.535 1.00 0.00 H new ATOM 0 HB2 LEU A 8 3.671 3.683 -3.975 1.00 0.00 H new ATOM 0 HB3 LEU A 8 4.650 4.253 -2.638 1.00 0.00 H new ATOM 0 HG LEU A 8 3.843 6.509 -2.906 1.00 0.00 H new ATOM 0 HD11 LEU A 8 2.058 7.153 -4.488 1.00 0.00 H new ATOM 0 HD12 LEU A 8 3.563 6.687 -5.315 1.00 0.00 H new ATOM 0 HD13 LEU A 8 2.188 5.558 -5.267 1.00 0.00 H new ATOM 0 HD21 LEU A 8 1.390 6.111 -2.405 1.00 0.00 H new ATOM 0 HD22 LEU A 8 1.553 4.462 -3.056 1.00 0.00 H new ATOM 0 HD23 LEU A 8 2.431 4.926 -1.580 1.00 0.00 H new ATOM 162 N TYR A 9 7.168 5.753 -3.153 1.00 0.00 N ATOM 163 CA TYR A 9 8.098 6.764 -2.646 1.00 0.00 C ATOM 164 C TYR A 9 9.055 7.288 -3.737 1.00 0.00 C ATOM 165 O TYR A 9 9.252 8.498 -3.859 1.00 0.00 O ATOM 166 CB TYR A 9 8.860 6.175 -1.451 1.00 0.00 C ATOM 167 CG TYR A 9 9.729 7.181 -0.724 1.00 0.00 C ATOM 168 CD1 TYR A 9 9.183 7.965 0.312 1.00 0.00 C ATOM 169 CD2 TYR A 9 11.080 7.344 -1.087 1.00 0.00 C ATOM 170 CE1 TYR A 9 9.979 8.915 0.979 1.00 0.00 C ATOM 171 CE2 TYR A 9 11.882 8.294 -0.428 1.00 0.00 C ATOM 172 CZ TYR A 9 11.333 9.085 0.608 1.00 0.00 C ATOM 173 OH TYR A 9 12.114 10.003 1.247 1.00 0.00 O ATOM 0 H TYR A 9 7.280 4.838 -2.716 1.00 0.00 H new ATOM 0 HA TYR A 9 7.528 7.634 -2.321 1.00 0.00 H new ATOM 0 HB2 TYR A 9 8.143 5.753 -0.747 1.00 0.00 H new ATOM 0 HB3 TYR A 9 9.486 5.354 -1.800 1.00 0.00 H new ATOM 0 HD1 TYR A 9 8.149 7.836 0.595 1.00 0.00 H new ATOM 0 HD2 TYR A 9 11.502 6.737 -1.874 1.00 0.00 H new ATOM 0 HE1 TYR A 9 9.556 9.513 1.773 1.00 0.00 H new ATOM 0 HE2 TYR A 9 12.916 8.419 -0.713 1.00 0.00 H new ATOM 0 HH TYR A 9 13.017 9.986 0.866 1.00 0.00 H new ATOM 183 N ALA A 10 9.597 6.394 -4.570 1.00 0.00 N ATOM 184 CA ALA A 10 10.463 6.737 -5.702 1.00 0.00 C ATOM 185 C ALA A 10 9.711 7.481 -6.820 1.00 0.00 C ATOM 186 O ALA A 10 10.229 8.455 -7.363 1.00 0.00 O ATOM 187 CB ALA A 10 11.115 5.448 -6.219 1.00 0.00 C ATOM 0 H ALA A 10 9.442 5.390 -4.474 1.00 0.00 H new ATOM 0 HA ALA A 10 11.231 7.431 -5.360 1.00 0.00 H new ATOM 0 HB1 ALA A 10 11.764 5.682 -7.063 1.00 0.00 H new ATOM 0 HB2 ALA A 10 11.704 4.994 -5.423 1.00 0.00 H new ATOM 0 HB3 ALA A 10 10.340 4.752 -6.540 1.00 0.00 H new ATOM 193 N TRP A 11 8.472 7.080 -7.128 1.00 0.00 N ATOM 194 CA TRP A 11 7.597 7.765 -8.084 1.00 0.00 C ATOM 195 C TRP A 11 7.291 9.200 -7.636 1.00 0.00 C ATOM 196 O TRP A 11 7.427 10.139 -8.420 1.00 0.00 O ATOM 197 CB TRP A 11 6.308 6.950 -8.247 1.00 0.00 C ATOM 198 CG TRP A 11 5.278 7.576 -9.135 1.00 0.00 C ATOM 199 CD1 TRP A 11 5.154 7.398 -10.470 1.00 0.00 C ATOM 200 CD2 TRP A 11 4.206 8.492 -8.756 1.00 0.00 C ATOM 201 NE1 TRP A 11 4.094 8.151 -10.944 1.00 0.00 N ATOM 202 CE2 TRP A 11 3.484 8.857 -9.929 1.00 0.00 C ATOM 203 CE3 TRP A 11 3.767 9.042 -7.533 1.00 0.00 C ATOM 204 CZ2 TRP A 11 2.401 9.744 -9.888 1.00 0.00 C ATOM 205 CZ3 TRP A 11 2.674 9.925 -7.479 1.00 0.00 C ATOM 206 CH2 TRP A 11 1.995 10.284 -8.655 1.00 0.00 C ATOM 0 H TRP A 11 8.042 6.254 -6.711 1.00 0.00 H new ATOM 0 HA TRP A 11 8.105 7.838 -9.045 1.00 0.00 H new ATOM 0 HB2 TRP A 11 6.563 5.968 -8.646 1.00 0.00 H new ATOM 0 HB3 TRP A 11 5.869 6.789 -7.262 1.00 0.00 H new ATOM 0 HD1 TRP A 11 5.786 6.764 -11.074 1.00 0.00 H new ATOM 0 HE1 TRP A 11 3.801 8.180 -11.921 1.00 0.00 H new ATOM 0 HE3 TRP A 11 4.281 8.780 -6.620 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 1.882 10.011 -10.796 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 2.355 10.329 -6.529 1.00 0.00 H new ATOM 0 HH2 TRP A 11 1.164 10.972 -8.612 1.00 0.00 H new ATOM 217 N CYS A 12 6.955 9.381 -6.354 1.00 0.00 N ATOM 218 CA CYS A 12 6.792 10.703 -5.737 1.00 0.00 C ATOM 219 C CYS A 12 8.077 11.544 -5.846 1.00 0.00 C ATOM 220 O CYS A 12 8.019 12.703 -6.261 1.00 0.00 O ATOM 221 CB CYS A 12 6.375 10.524 -4.271 1.00 0.00 C ATOM 222 SG CYS A 12 4.679 9.896 -4.123 1.00 0.00 S ATOM 0 H CYS A 12 6.787 8.608 -5.710 1.00 0.00 H new ATOM 0 HA CYS A 12 6.014 11.247 -6.273 1.00 0.00 H new ATOM 0 HB2 CYS A 12 7.062 9.835 -3.780 1.00 0.00 H new ATOM 0 HB3 CYS A 12 6.455 11.479 -3.751 1.00 0.00 H new ATOM 0 HG CYS A 12 4.680 8.604 -4.269 1.00 0.00 H new ATOM 228 N GLY A 13 9.241 10.954 -5.553 1.00 0.00 N ATOM 229 CA GLY A 13 10.547 11.629 -5.582 1.00 0.00 C ATOM 230 C GLY A 13 10.997 12.057 -6.982 1.00 0.00 C ATOM 231 O GLY A 13 11.690 13.066 -7.117 1.00 0.00 O ATOM 0 H GLY A 13 9.305 9.972 -5.283 1.00 0.00 H new ATOM 0 HA2 GLY A 13 10.504 12.509 -4.941 1.00 0.00 H new ATOM 0 HA3 GLY A 13 11.298 10.963 -5.158 1.00 0.00 H new ATOM 235 N LYS A 14 10.545 11.366 -8.035 1.00 0.00 N ATOM 236 CA LYS A 14 10.771 11.746 -9.442 1.00 0.00 C ATOM 237 C LYS A 14 9.850 12.895 -9.908 1.00 0.00 C ATOM 238 O LYS A 14 10.046 13.450 -10.992 1.00 0.00 O ATOM 239 CB LYS A 14 10.607 10.493 -10.324 1.00 0.00 C ATOM 240 CG LYS A 14 11.789 9.522 -10.173 1.00 0.00 C ATOM 241 CD LYS A 14 11.532 8.220 -10.941 1.00 0.00 C ATOM 242 CE LYS A 14 12.726 7.271 -10.777 1.00 0.00 C ATOM 243 NZ LYS A 14 12.531 6.003 -11.531 1.00 0.00 N ATOM 0 H LYS A 14 10.001 10.509 -7.935 1.00 0.00 H new ATOM 0 HA LYS A 14 11.785 12.133 -9.537 1.00 0.00 H new ATOM 0 HB2 LYS A 14 9.682 9.982 -10.058 1.00 0.00 H new ATOM 0 HB3 LYS A 14 10.516 10.794 -11.368 1.00 0.00 H new ATOM 0 HG2 LYS A 14 12.700 9.992 -10.542 1.00 0.00 H new ATOM 0 HG3 LYS A 14 11.950 9.300 -9.118 1.00 0.00 H new ATOM 0 HD2 LYS A 14 10.624 7.743 -10.571 1.00 0.00 H new ATOM 0 HD3 LYS A 14 11.371 8.437 -11.997 1.00 0.00 H new ATOM 0 HE2 LYS A 14 13.633 7.765 -11.125 1.00 0.00 H new ATOM 0 HE3 LYS A 14 12.870 7.047 -9.720 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 13.359 5.388 -11.396 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 11.679 5.519 -11.182 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 12.419 6.215 -12.543 1.00 0.00 H new ATOM 257 N ARG A 15 8.868 13.262 -9.075 1.00 0.00 N ATOM 258 CA ARG A 15 7.843 14.290 -9.306 1.00 0.00 C ATOM 259 C ARG A 15 7.895 15.430 -8.264 1.00 0.00 C ATOM 260 O ARG A 15 6.981 16.252 -8.210 1.00 0.00 O ATOM 261 CB ARG A 15 6.464 13.604 -9.324 1.00 0.00 C ATOM 262 CG ARG A 15 6.323 12.556 -10.444 1.00 0.00 C ATOM 263 CD ARG A 15 4.954 11.868 -10.436 1.00 0.00 C ATOM 264 NE ARG A 15 3.857 12.799 -10.771 1.00 0.00 N ATOM 265 CZ ARG A 15 2.969 12.674 -11.752 1.00 0.00 C ATOM 266 NH1 ARG A 15 2.981 11.697 -12.629 1.00 0.00 N ATOM 267 NH2 ARG A 15 2.001 13.547 -11.891 1.00 0.00 N ATOM 0 H ARG A 15 8.761 12.820 -8.162 1.00 0.00 H new ATOM 0 HA ARG A 15 8.036 14.767 -10.267 1.00 0.00 H new ATOM 0 HB2 ARG A 15 6.292 13.123 -8.361 1.00 0.00 H new ATOM 0 HB3 ARG A 15 5.690 14.362 -9.445 1.00 0.00 H new ATOM 0 HG2 ARG A 15 6.478 13.038 -11.409 1.00 0.00 H new ATOM 0 HG3 ARG A 15 7.104 11.804 -10.334 1.00 0.00 H new ATOM 0 HD2 ARG A 15 4.959 11.044 -11.150 1.00 0.00 H new ATOM 0 HD3 ARG A 15 4.773 11.436 -9.452 1.00 0.00 H new ATOM 0 HE ARG A 15 3.772 13.629 -10.185 1.00 0.00 H new ATOM 0 HH11 ARG A 15 3.702 10.977 -12.580 1.00 0.00 H new ATOM 0 HH12 ARG A 15 2.270 11.658 -13.359 1.00 0.00 H new ATOM 0 HH21 ARG A 15 1.924 14.331 -11.243 1.00 0.00 H new ATOM 0 HH22 ARG A 15 1.324 13.442 -12.647 1.00 0.00 H new ATOM 281 N LYS A 16 8.937 15.472 -7.419 1.00 0.00 N ATOM 282 CA LYS A 16 9.160 16.468 -6.347 1.00 0.00 C ATOM 283 C LYS A 16 8.098 16.411 -5.216 1.00 0.00 C ATOM 284 O LYS A 16 7.774 17.427 -4.594 1.00 0.00 O ATOM 285 CB LYS A 16 9.363 17.884 -6.938 1.00 0.00 C ATOM 286 CG LYS A 16 10.515 17.959 -7.955 1.00 0.00 C ATOM 287 CD LYS A 16 10.731 19.405 -8.428 1.00 0.00 C ATOM 288 CE LYS A 16 11.925 19.544 -9.386 1.00 0.00 C ATOM 289 NZ LYS A 16 11.677 18.915 -10.712 1.00 0.00 N ATOM 0 H LYS A 16 9.686 14.781 -7.463 1.00 0.00 H new ATOM 0 HA LYS A 16 10.090 16.197 -5.848 1.00 0.00 H new ATOM 0 HB2 LYS A 16 8.440 18.205 -7.421 1.00 0.00 H new ATOM 0 HB3 LYS A 16 9.558 18.585 -6.126 1.00 0.00 H new ATOM 0 HG2 LYS A 16 11.431 17.579 -7.503 1.00 0.00 H new ATOM 0 HG3 LYS A 16 10.293 17.321 -8.810 1.00 0.00 H new ATOM 0 HD2 LYS A 16 9.828 19.759 -8.926 1.00 0.00 H new ATOM 0 HD3 LYS A 16 10.889 20.047 -7.561 1.00 0.00 H new ATOM 0 HE2 LYS A 16 12.151 20.601 -9.527 1.00 0.00 H new ATOM 0 HE3 LYS A 16 12.805 19.088 -8.932 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 12.514 19.039 -11.317 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 11.488 17.900 -10.585 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 10.855 19.366 -11.162 1.00 0.00 H new ATOM 303 N MET A 17 7.549 15.219 -4.953 1.00 0.00 N ATOM 304 CA MET A 17 6.532 14.925 -3.928 1.00 0.00 C ATOM 305 C MET A 17 7.051 13.918 -2.885 1.00 0.00 C ATOM 306 O MET A 17 8.098 13.290 -3.078 1.00 0.00 O ATOM 307 CB MET A 17 5.270 14.362 -4.612 1.00 0.00 C ATOM 308 CG MET A 17 4.638 15.345 -5.601 1.00 0.00 C ATOM 309 SD MET A 17 3.010 14.861 -6.235 1.00 0.00 S ATOM 310 CE MET A 17 3.398 13.246 -6.957 1.00 0.00 C ATOM 0 H MET A 17 7.815 14.385 -5.477 1.00 0.00 H new ATOM 0 HA MET A 17 6.296 15.852 -3.406 1.00 0.00 H new ATOM 0 HB2 MET A 17 5.527 13.442 -5.137 1.00 0.00 H new ATOM 0 HB3 MET A 17 4.536 14.100 -3.850 1.00 0.00 H new ATOM 0 HG2 MET A 17 4.547 16.317 -5.115 1.00 0.00 H new ATOM 0 HG3 MET A 17 5.316 15.473 -6.445 1.00 0.00 H new ATOM 0 HE1 MET A 17 2.518 12.855 -7.468 1.00 0.00 H new ATOM 0 HE2 MET A 17 4.214 13.353 -7.671 1.00 0.00 H new ATOM 0 HE3 MET A 17 3.695 12.556 -6.167 1.00 0.00 H new ATOM 320 N THR A 18 6.261 13.705 -1.824 1.00 0.00 N ATOM 321 CA THR A 18 6.477 12.706 -0.760 1.00 0.00 C ATOM 322 C THR A 18 5.117 12.106 -0.368 1.00 0.00 C ATOM 323 O THR A 18 4.194 12.889 -0.123 1.00 0.00 O ATOM 324 CB THR A 18 7.143 13.356 0.465 1.00 0.00 C ATOM 325 OG1 THR A 18 8.332 14.004 0.068 1.00 0.00 O ATOM 326 CG2 THR A 18 7.519 12.324 1.531 1.00 0.00 C ATOM 0 H THR A 18 5.412 14.249 -1.674 1.00 0.00 H new ATOM 0 HA THR A 18 7.139 11.921 -1.125 1.00 0.00 H new ATOM 0 HB THR A 18 6.422 14.058 0.884 1.00 0.00 H new ATOM 0 HG1 THR A 18 8.755 14.419 0.849 1.00 0.00 H new ATOM 0 HG21 THR A 18 7.986 12.828 2.377 1.00 0.00 H new ATOM 0 HG22 THR A 18 6.621 11.806 1.868 1.00 0.00 H new ATOM 0 HG23 THR A 18 8.218 11.602 1.108 1.00 0.00 H new ATOM 334 N PRO A 19 4.958 10.767 -0.302 1.00 0.00 N ATOM 335 CA PRO A 19 3.708 10.136 0.108 1.00 0.00 C ATOM 336 C PRO A 19 3.549 10.195 1.631 1.00 0.00 C ATOM 337 O PRO A 19 4.517 10.034 2.376 1.00 0.00 O ATOM 338 CB PRO A 19 3.795 8.696 -0.404 1.00 0.00 C ATOM 339 CG PRO A 19 5.292 8.397 -0.338 1.00 0.00 C ATOM 340 CD PRO A 19 5.948 9.747 -0.631 1.00 0.00 C ATOM 0 HA PRO A 19 2.834 10.643 -0.300 1.00 0.00 H new ATOM 0 HB2 PRO A 19 3.219 8.011 0.218 1.00 0.00 H new ATOM 0 HB3 PRO A 19 3.410 8.605 -1.420 1.00 0.00 H new ATOM 0 HG2 PRO A 19 5.581 8.016 0.642 1.00 0.00 H new ATOM 0 HG3 PRO A 19 5.582 7.644 -1.071 1.00 0.00 H new ATOM 0 HD2 PRO A 19 6.852 9.877 -0.036 1.00 0.00 H new ATOM 0 HD3 PRO A 19 6.243 9.816 -1.678 1.00 0.00 H new ATOM 348 N ALA A 20 2.315 10.413 2.095 1.00 0.00 N ATOM 349 CA ALA A 20 1.966 10.494 3.512 1.00 0.00 C ATOM 350 C ALA A 20 1.091 9.300 3.921 1.00 0.00 C ATOM 351 O ALA A 20 -0.030 9.145 3.434 1.00 0.00 O ATOM 352 CB ALA A 20 1.268 11.836 3.768 1.00 0.00 C ATOM 0 H ALA A 20 1.513 10.541 1.478 1.00 0.00 H new ATOM 0 HA ALA A 20 2.865 10.446 4.126 1.00 0.00 H new ATOM 0 HB1 ALA A 20 1.001 11.912 4.822 1.00 0.00 H new ATOM 0 HB2 ALA A 20 1.941 12.652 3.504 1.00 0.00 H new ATOM 0 HB3 ALA A 20 0.366 11.899 3.160 1.00 0.00 H new ATOM 358 N TYR A 21 1.609 8.469 4.829 1.00 0.00 N ATOM 359 CA TYR A 21 0.949 7.260 5.342 1.00 0.00 C ATOM 360 C TYR A 21 0.257 7.502 6.699 1.00 0.00 C ATOM 361 O TYR A 21 0.673 8.368 7.476 1.00 0.00 O ATOM 362 CB TYR A 21 1.977 6.120 5.469 1.00 0.00 C ATOM 363 CG TYR A 21 2.560 5.622 4.157 1.00 0.00 C ATOM 364 CD1 TYR A 21 3.690 6.250 3.597 1.00 0.00 C ATOM 365 CD2 TYR A 21 1.981 4.518 3.500 1.00 0.00 C ATOM 366 CE1 TYR A 21 4.218 5.798 2.373 1.00 0.00 C ATOM 367 CE2 TYR A 21 2.505 4.058 2.276 1.00 0.00 C ATOM 368 CZ TYR A 21 3.616 4.715 1.699 1.00 0.00 C ATOM 369 OH TYR A 21 4.107 4.315 0.493 1.00 0.00 O ATOM 0 H TYR A 21 2.529 8.622 5.242 1.00 0.00 H new ATOM 0 HA TYR A 21 0.173 6.982 4.629 1.00 0.00 H new ATOM 0 HB2 TYR A 21 2.794 6.459 6.105 1.00 0.00 H new ATOM 0 HB3 TYR A 21 1.503 5.281 5.979 1.00 0.00 H new ATOM 0 HD1 TYR A 21 4.153 7.081 4.109 1.00 0.00 H new ATOM 0 HD2 TYR A 21 1.129 4.020 3.938 1.00 0.00 H new ATOM 0 HE1 TYR A 21 5.086 6.281 1.949 1.00 0.00 H new ATOM 0 HE2 TYR A 21 2.060 3.208 1.781 1.00 0.00 H new ATOM 0 HH TYR A 21 5.068 4.501 0.453 1.00 0.00 H new ATOM 379 N GLU A 22 -0.765 6.702 7.014 1.00 0.00 N ATOM 380 CA GLU A 22 -1.464 6.700 8.306 1.00 0.00 C ATOM 381 C GLU A 22 -1.944 5.281 8.650 1.00 0.00 C ATOM 382 O GLU A 22 -2.444 4.569 7.782 1.00 0.00 O ATOM 383 CB GLU A 22 -2.626 7.710 8.270 1.00 0.00 C ATOM 384 CG GLU A 22 -3.275 7.897 9.648 1.00 0.00 C ATOM 385 CD GLU A 22 -4.303 9.038 9.629 1.00 0.00 C ATOM 386 OE1 GLU A 22 -3.911 10.215 9.814 1.00 0.00 O ATOM 387 OE2 GLU A 22 -5.514 8.766 9.444 1.00 0.00 O ATOM 0 H GLU A 22 -1.142 6.017 6.359 1.00 0.00 H new ATOM 0 HA GLU A 22 -0.778 7.009 9.095 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -2.259 8.671 7.910 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -3.379 7.370 7.559 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -3.762 6.970 9.952 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -2.505 8.110 10.389 1.00 0.00 H new ATOM 394 N ILE A 23 -1.776 4.855 9.908 1.00 0.00 N ATOM 395 CA ILE A 23 -1.985 3.466 10.371 1.00 0.00 C ATOM 396 C ILE A 23 -3.003 3.417 11.522 1.00 0.00 C ATOM 397 O ILE A 23 -3.083 4.340 12.339 1.00 0.00 O ATOM 398 CB ILE A 23 -0.617 2.823 10.733 1.00 0.00 C ATOM 399 CG1 ILE A 23 0.230 2.675 9.446 1.00 0.00 C ATOM 400 CG2 ILE A 23 -0.758 1.456 11.443 1.00 0.00 C ATOM 401 CD1 ILE A 23 1.631 2.091 9.656 1.00 0.00 C ATOM 0 H ILE A 23 -1.482 5.481 10.658 1.00 0.00 H new ATOM 0 HA ILE A 23 -2.418 2.872 9.566 1.00 0.00 H new ATOM 0 HB ILE A 23 -0.120 3.485 11.442 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -0.311 2.040 8.744 1.00 0.00 H new ATOM 0 HG13 ILE A 23 0.328 3.655 8.979 1.00 0.00 H new ATOM 0 HG21 ILE A 23 0.232 1.060 11.669 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -1.318 1.583 12.369 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -1.287 0.761 10.792 1.00 0.00 H new ATOM 0 HD11 ILE A 23 2.146 2.027 8.697 1.00 0.00 H new ATOM 0 HD12 ILE A 23 2.197 2.735 10.329 1.00 0.00 H new ATOM 0 HD13 ILE A 23 1.549 1.095 10.091 1.00 0.00 H new ATOM 413 N ARG A 24 -3.772 2.324 11.578 1.00 0.00 N ATOM 414 CA ARG A 24 -4.884 2.079 12.507 1.00 0.00 C ATOM 415 C ARG A 24 -4.896 0.609 12.938 1.00 0.00 C ATOM 416 O ARG A 24 -4.657 -0.279 12.122 1.00 0.00 O ATOM 417 CB ARG A 24 -6.182 2.456 11.778 1.00 0.00 C ATOM 418 CG ARG A 24 -7.475 2.262 12.584 1.00 0.00 C ATOM 419 CD ARG A 24 -8.694 2.873 11.873 1.00 0.00 C ATOM 420 NE ARG A 24 -8.871 2.354 10.500 1.00 0.00 N ATOM 421 CZ ARG A 24 -8.672 3.010 9.358 1.00 0.00 C ATOM 422 NH1 ARG A 24 -8.276 4.263 9.311 1.00 0.00 N ATOM 423 NH2 ARG A 24 -8.869 2.407 8.207 1.00 0.00 N ATOM 0 H ARG A 24 -3.628 1.541 10.940 1.00 0.00 H new ATOM 0 HA ARG A 24 -4.778 2.679 13.411 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -6.117 3.501 11.475 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -6.251 1.863 10.866 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -7.645 1.198 12.745 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -7.362 2.719 13.567 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -9.592 2.664 12.455 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -8.583 3.957 11.836 1.00 0.00 H new ATOM 0 HE ARG A 24 -9.180 1.385 10.418 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -8.107 4.777 10.176 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -8.138 4.721 8.410 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -9.175 1.434 8.187 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -8.716 2.912 7.334 1.00 0.00 H new ATOM 437 N ALA A 25 -5.182 0.338 14.208 1.00 0.00 N ATOM 438 CA ALA A 25 -5.251 -1.018 14.771 1.00 0.00 C ATOM 439 C ALA A 25 -6.693 -1.560 14.747 1.00 0.00 C ATOM 440 O ALA A 25 -7.640 -0.820 15.018 1.00 0.00 O ATOM 441 CB ALA A 25 -4.672 -0.994 16.191 1.00 0.00 C ATOM 0 H ALA A 25 -5.377 1.067 14.894 1.00 0.00 H new ATOM 0 HA ALA A 25 -4.658 -1.698 14.160 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -4.718 -1.995 16.620 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -3.635 -0.662 16.155 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -5.252 -0.308 16.809 1.00 0.00 H new ATOM 447 N VAL A 26 -6.852 -2.849 14.435 1.00 0.00 N ATOM 448 CA VAL A 26 -8.144 -3.548 14.278 1.00 0.00 C ATOM 449 C VAL A 26 -8.042 -5.007 14.749 1.00 0.00 C ATOM 450 O VAL A 26 -6.943 -5.544 14.889 1.00 0.00 O ATOM 451 CB VAL A 26 -8.669 -3.493 12.818 1.00 0.00 C ATOM 452 CG1 VAL A 26 -9.086 -2.073 12.405 1.00 0.00 C ATOM 453 CG2 VAL A 26 -7.664 -4.049 11.792 1.00 0.00 C ATOM 0 H VAL A 26 -6.055 -3.465 14.277 1.00 0.00 H new ATOM 0 HA VAL A 26 -8.863 -3.022 14.907 1.00 0.00 H new ATOM 0 HB VAL A 26 -9.548 -4.138 12.811 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -9.446 -2.084 11.376 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -9.880 -1.721 13.064 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -8.228 -1.405 12.482 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -8.091 -3.982 10.791 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -6.743 -3.468 11.833 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -7.446 -5.091 12.024 1.00 0.00 H new ATOM 463 N GLY A 27 -9.184 -5.650 15.010 1.00 0.00 N ATOM 464 CA GLY A 27 -9.260 -7.065 15.396 1.00 0.00 C ATOM 465 C GLY A 27 -9.049 -7.324 16.893 1.00 0.00 C ATOM 466 O GLY A 27 -9.127 -6.419 17.727 1.00 0.00 O ATOM 0 H GLY A 27 -10.096 -5.197 14.959 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -10.235 -7.457 15.105 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -8.512 -7.623 14.834 1.00 0.00 H new ATOM 470 N ASN A 28 -8.807 -8.593 17.225 1.00 0.00 N ATOM 471 CA ASN A 28 -8.694 -9.108 18.593 1.00 0.00 C ATOM 472 C ASN A 28 -7.428 -8.607 19.328 1.00 0.00 C ATOM 473 O ASN A 28 -6.373 -8.427 18.721 1.00 0.00 O ATOM 474 CB ASN A 28 -8.751 -10.643 18.504 1.00 0.00 C ATOM 475 CG ASN A 28 -8.685 -11.311 19.869 1.00 0.00 C ATOM 476 OD1 ASN A 28 -7.608 -11.575 20.385 1.00 0.00 O ATOM 477 ND2 ASN A 28 -9.814 -11.573 20.501 1.00 0.00 N ATOM 0 H ASN A 28 -8.679 -9.320 16.521 1.00 0.00 H new ATOM 0 HA ASN A 28 -9.519 -8.730 19.197 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -9.672 -10.940 18.002 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -7.924 -10.999 17.889 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -9.793 -11.999 21.428 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -10.708 -11.349 20.063 1.00 0.00 H new ATOM 484 N LYS A 29 -7.506 -8.415 20.651 1.00 0.00 N ATOM 485 CA LYS A 29 -6.401 -7.883 21.474 1.00 0.00 C ATOM 486 C LYS A 29 -5.157 -8.789 21.505 1.00 0.00 C ATOM 487 O LYS A 29 -4.020 -8.314 21.457 1.00 0.00 O ATOM 488 CB LYS A 29 -6.905 -7.648 22.911 1.00 0.00 C ATOM 489 CG LYS A 29 -8.123 -6.720 22.941 1.00 0.00 C ATOM 490 CD LYS A 29 -8.384 -6.172 24.350 1.00 0.00 C ATOM 491 CE LYS A 29 -9.605 -5.241 24.335 1.00 0.00 C ATOM 492 NZ LYS A 29 -9.887 -4.682 25.683 1.00 0.00 N ATOM 0 H LYS A 29 -8.346 -8.626 21.190 1.00 0.00 H new ATOM 0 HA LYS A 29 -6.087 -6.948 21.010 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -7.165 -8.604 23.366 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -6.104 -7.216 23.511 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -7.966 -5.891 22.251 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -9.002 -7.262 22.593 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -8.553 -6.996 25.044 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -7.508 -5.630 24.706 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -9.433 -4.426 23.632 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -10.477 -5.790 23.979 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -10.718 -4.058 25.633 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -10.076 -5.459 26.348 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -9.064 -4.137 26.012 1.00 0.00 H new ATOM 506 N ASN A 30 -5.386 -10.100 21.565 1.00 0.00 N ATOM 507 CA ASN A 30 -4.345 -11.138 21.591 1.00 0.00 C ATOM 508 C ASN A 30 -3.801 -11.479 20.183 1.00 0.00 C ATOM 509 O ASN A 30 -2.612 -11.773 20.042 1.00 0.00 O ATOM 510 CB ASN A 30 -4.907 -12.378 22.307 1.00 0.00 C ATOM 511 CG ASN A 30 -3.861 -13.477 22.479 1.00 0.00 C ATOM 512 OD1 ASN A 30 -3.755 -14.390 21.669 1.00 0.00 O ATOM 513 ND2 ASN A 30 -3.063 -13.422 23.532 1.00 0.00 N ATOM 0 H ASN A 30 -6.330 -10.486 21.598 1.00 0.00 H new ATOM 0 HA ASN A 30 -3.485 -10.756 22.141 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -5.288 -12.087 23.286 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -5.751 -12.770 21.740 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -2.355 -14.142 23.673 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -3.156 -12.659 24.203 1.00 0.00 H new ATOM 520 N ARG A 31 -4.647 -11.379 19.144 1.00 0.00 N ATOM 521 CA ARG A 31 -4.289 -11.545 17.725 1.00 0.00 C ATOM 522 C ARG A 31 -4.654 -10.268 16.952 1.00 0.00 C ATOM 523 O ARG A 31 -5.687 -10.194 16.280 1.00 0.00 O ATOM 524 CB ARG A 31 -4.927 -12.843 17.180 1.00 0.00 C ATOM 525 CG ARG A 31 -4.259 -13.420 15.914 1.00 0.00 C ATOM 526 CD ARG A 31 -4.372 -12.581 14.630 1.00 0.00 C ATOM 527 NE ARG A 31 -5.775 -12.262 14.302 1.00 0.00 N ATOM 528 CZ ARG A 31 -6.639 -13.016 13.631 1.00 0.00 C ATOM 529 NH1 ARG A 31 -6.302 -14.179 13.115 1.00 0.00 N ATOM 530 NH2 ARG A 31 -7.873 -12.595 13.464 1.00 0.00 N ATOM 0 H ARG A 31 -5.637 -11.172 19.274 1.00 0.00 H new ATOM 0 HA ARG A 31 -3.214 -11.670 17.595 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -4.899 -13.600 17.964 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -5.977 -12.649 16.962 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -3.201 -13.574 16.128 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -4.691 -14.401 15.718 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -3.808 -11.656 14.750 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -3.920 -13.125 13.800 1.00 0.00 H new ATOM 0 HE ARG A 31 -6.121 -11.359 14.628 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -5.350 -14.529 13.224 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -6.993 -14.730 12.606 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -8.161 -11.695 13.848 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -8.542 -13.168 12.950 1.00 0.00 H new ATOM 544 N GLN A 32 -3.814 -9.244 17.091 1.00 0.00 N ATOM 545 CA GLN A 32 -4.055 -7.901 16.565 1.00 0.00 C ATOM 546 C GLN A 32 -3.708 -7.813 15.068 1.00 0.00 C ATOM 547 O GLN A 32 -2.794 -8.483 14.586 1.00 0.00 O ATOM 548 CB GLN A 32 -3.226 -6.906 17.403 1.00 0.00 C ATOM 549 CG GLN A 32 -3.754 -5.463 17.374 1.00 0.00 C ATOM 550 CD GLN A 32 -4.998 -5.274 18.249 1.00 0.00 C ATOM 551 OE1 GLN A 32 -4.927 -5.204 19.469 1.00 0.00 O ATOM 552 NE2 GLN A 32 -6.181 -5.183 17.678 1.00 0.00 N ATOM 0 H GLN A 32 -2.925 -9.327 17.584 1.00 0.00 H new ATOM 0 HA GLN A 32 -5.114 -7.654 16.644 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -3.202 -7.251 18.437 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -2.198 -6.912 17.041 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -2.970 -4.786 17.713 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -3.991 -5.187 16.347 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -6.263 -5.239 16.663 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -7.015 -5.057 18.251 1.00 0.00 H new ATOM 561 N LYS A 33 -4.424 -6.953 14.341 1.00 0.00 N ATOM 562 CA LYS A 33 -4.203 -6.616 12.930 1.00 0.00 C ATOM 563 C LYS A 33 -4.167 -5.090 12.725 1.00 0.00 C ATOM 564 O LYS A 33 -4.602 -4.318 13.589 1.00 0.00 O ATOM 565 CB LYS A 33 -5.305 -7.277 12.076 1.00 0.00 C ATOM 566 CG LYS A 33 -5.083 -8.786 11.882 1.00 0.00 C ATOM 567 CD LYS A 33 -6.203 -9.394 11.024 1.00 0.00 C ATOM 568 CE LYS A 33 -5.975 -10.887 10.743 1.00 0.00 C ATOM 569 NZ LYS A 33 -4.900 -11.127 9.744 1.00 0.00 N ATOM 0 H LYS A 33 -5.214 -6.446 14.739 1.00 0.00 H new ATOM 0 HA LYS A 33 -3.233 -7.000 12.613 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -6.273 -7.115 12.551 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -5.343 -6.792 11.101 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -4.118 -8.958 11.405 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -5.052 -9.282 12.852 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -7.159 -9.264 11.532 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -6.268 -8.854 10.079 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -5.719 -11.392 11.674 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -6.904 -11.331 10.384 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -4.966 -12.103 9.391 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -5.009 -10.463 8.951 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -3.972 -10.983 10.191 1.00 0.00 H new ATOM 583 N PHE A 34 -3.669 -4.650 11.570 1.00 0.00 N ATOM 584 CA PHE A 34 -3.430 -3.247 11.244 1.00 0.00 C ATOM 585 C PHE A 34 -3.923 -2.904 9.838 1.00 0.00 C ATOM 586 O PHE A 34 -3.701 -3.653 8.886 1.00 0.00 O ATOM 587 CB PHE A 34 -1.929 -2.938 11.378 1.00 0.00 C ATOM 588 CG PHE A 34 -1.377 -3.205 12.763 1.00 0.00 C ATOM 589 CD1 PHE A 34 -1.631 -2.296 13.807 1.00 0.00 C ATOM 590 CD2 PHE A 34 -0.656 -4.386 13.020 1.00 0.00 C ATOM 591 CE1 PHE A 34 -1.172 -2.573 15.107 1.00 0.00 C ATOM 592 CE2 PHE A 34 -0.194 -4.659 14.320 1.00 0.00 C ATOM 593 CZ PHE A 34 -0.454 -3.754 15.363 1.00 0.00 C ATOM 0 H PHE A 34 -3.413 -5.282 10.812 1.00 0.00 H new ATOM 0 HA PHE A 34 -3.993 -2.631 11.945 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -1.377 -3.537 10.654 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -1.758 -1.892 11.123 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -2.178 -1.386 13.610 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -0.457 -5.083 12.219 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -1.371 -1.878 15.909 1.00 0.00 H new ATOM 0 HE2 PHE A 34 0.361 -5.564 14.517 1.00 0.00 H new ATOM 0 HZ PHE A 34 -0.102 -3.966 16.362 1.00 0.00 H new ATOM 603 N MET A 35 -4.562 -1.742 9.720 1.00 0.00 N ATOM 604 CA MET A 35 -4.915 -1.089 8.460 1.00 0.00 C ATOM 605 C MET A 35 -3.930 0.052 8.201 1.00 0.00 C ATOM 606 O MET A 35 -3.417 0.667 9.140 1.00 0.00 O ATOM 607 CB MET A 35 -6.341 -0.519 8.497 1.00 0.00 C ATOM 608 CG MET A 35 -7.398 -1.531 8.952 1.00 0.00 C ATOM 609 SD MET A 35 -9.106 -0.981 8.702 1.00 0.00 S ATOM 610 CE MET A 35 -9.249 -1.256 6.918 1.00 0.00 C ATOM 0 H MET A 35 -4.861 -1.206 10.535 1.00 0.00 H new ATOM 0 HA MET A 35 -4.867 -1.833 7.665 1.00 0.00 H new ATOM 0 HB2 MET A 35 -6.362 0.341 9.167 1.00 0.00 H new ATOM 0 HB3 MET A 35 -6.603 -0.155 7.504 1.00 0.00 H new ATOM 0 HG2 MET A 35 -7.246 -2.466 8.412 1.00 0.00 H new ATOM 0 HG3 MET A 35 -7.248 -1.746 10.010 1.00 0.00 H new ATOM 0 HE1 MET A 35 -9.661 -0.365 6.444 1.00 0.00 H new ATOM 0 HE2 MET A 35 -8.263 -1.465 6.502 1.00 0.00 H new ATOM 0 HE3 MET A 35 -9.908 -2.104 6.732 1.00 0.00 H new ATOM 620 N CYS A 36 -3.713 0.376 6.931 1.00 0.00 N ATOM 621 CA CYS A 36 -2.914 1.515 6.496 1.00 0.00 C ATOM 622 C CYS A 36 -3.626 2.258 5.364 1.00 0.00 C ATOM 623 O CYS A 36 -4.274 1.645 4.514 1.00 0.00 O ATOM 624 CB CYS A 36 -1.527 1.010 6.081 1.00 0.00 C ATOM 625 SG CYS A 36 -0.416 2.421 5.811 1.00 0.00 S ATOM 0 H CYS A 36 -4.099 -0.161 6.155 1.00 0.00 H new ATOM 0 HA CYS A 36 -2.790 2.229 7.310 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -1.121 0.358 6.854 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -1.603 0.416 5.170 1.00 0.00 H new ATOM 0 HG CYS A 36 -0.880 3.464 6.433 1.00 0.00 H new ATOM 631 N GLU A 37 -3.466 3.573 5.347 1.00 0.00 N ATOM 632 CA GLU A 37 -3.880 4.477 4.281 1.00 0.00 C ATOM 633 C GLU A 37 -2.656 5.250 3.780 1.00 0.00 C ATOM 634 O GLU A 37 -1.718 5.483 4.546 1.00 0.00 O ATOM 635 CB GLU A 37 -4.949 5.451 4.802 1.00 0.00 C ATOM 636 CG GLU A 37 -6.286 4.755 5.091 1.00 0.00 C ATOM 637 CD GLU A 37 -7.307 5.713 5.719 1.00 0.00 C ATOM 638 OE1 GLU A 37 -7.490 6.840 5.198 1.00 0.00 O ATOM 639 OE2 GLU A 37 -7.938 5.323 6.732 1.00 0.00 O ATOM 0 H GLU A 37 -3.019 4.067 6.119 1.00 0.00 H new ATOM 0 HA GLU A 37 -4.309 3.904 3.459 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -4.588 5.929 5.712 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -5.105 6.241 4.067 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -6.692 4.349 4.164 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -6.119 3.912 5.762 1.00 0.00 H new ATOM 646 N VAL A 38 -2.671 5.670 2.514 1.00 0.00 N ATOM 647 CA VAL A 38 -1.642 6.526 1.901 1.00 0.00 C ATOM 648 C VAL A 38 -2.277 7.563 0.973 1.00 0.00 C ATOM 649 O VAL A 38 -3.242 7.273 0.262 1.00 0.00 O ATOM 650 CB VAL A 38 -0.543 5.704 1.190 1.00 0.00 C ATOM 651 CG1 VAL A 38 -1.032 5.011 -0.089 1.00 0.00 C ATOM 652 CG2 VAL A 38 0.677 6.580 0.849 1.00 0.00 C ATOM 0 H VAL A 38 -3.417 5.420 1.865 1.00 0.00 H new ATOM 0 HA VAL A 38 -1.143 7.065 2.706 1.00 0.00 H new ATOM 0 HB VAL A 38 -0.259 4.928 1.901 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -0.210 4.452 -0.537 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -1.845 4.327 0.156 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -1.388 5.761 -0.795 1.00 0.00 H new ATOM 0 HG21 VAL A 38 1.432 5.973 0.350 1.00 0.00 H new ATOM 0 HG22 VAL A 38 0.369 7.391 0.189 1.00 0.00 H new ATOM 0 HG23 VAL A 38 1.094 6.996 1.766 1.00 0.00 H new ATOM 662 N ARG A 39 -1.735 8.784 1.018 1.00 0.00 N ATOM 663 CA ARG A 39 -2.249 9.980 0.341 1.00 0.00 C ATOM 664 C ARG A 39 -1.083 10.815 -0.216 1.00 0.00 C ATOM 665 O ARG A 39 0.032 10.759 0.307 1.00 0.00 O ATOM 666 CB ARG A 39 -3.111 10.803 1.325 1.00 0.00 C ATOM 667 CG ARG A 39 -4.248 9.984 1.968 1.00 0.00 C ATOM 668 CD ARG A 39 -5.186 10.842 2.824 1.00 0.00 C ATOM 669 NE ARG A 39 -6.168 10.001 3.538 1.00 0.00 N ATOM 670 CZ ARG A 39 -7.331 10.392 4.048 1.00 0.00 C ATOM 671 NH1 ARG A 39 -7.752 11.637 3.955 1.00 0.00 N ATOM 672 NH2 ARG A 39 -8.096 9.524 4.671 1.00 0.00 N ATOM 0 H ARG A 39 -0.887 8.975 1.552 1.00 0.00 H new ATOM 0 HA ARG A 39 -2.877 9.683 -0.499 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -2.471 11.204 2.111 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -3.539 11.655 0.798 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -4.825 9.494 1.184 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -3.818 9.196 2.586 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -4.603 11.417 3.543 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -5.708 11.559 2.191 1.00 0.00 H new ATOM 0 HE ARG A 39 -5.928 9.016 3.652 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -7.179 12.335 3.480 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -8.650 11.903 4.358 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -7.796 8.553 4.762 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -8.989 9.821 5.064 1.00 0.00 H new ATOM 686 N VAL A 40 -1.336 11.586 -1.274 1.00 0.00 N ATOM 687 CA VAL A 40 -0.343 12.414 -1.989 1.00 0.00 C ATOM 688 C VAL A 40 -0.996 13.746 -2.379 1.00 0.00 C ATOM 689 O VAL A 40 -2.131 13.762 -2.856 1.00 0.00 O ATOM 690 CB VAL A 40 0.212 11.695 -3.249 1.00 0.00 C ATOM 691 CG1 VAL A 40 1.313 12.524 -3.933 1.00 0.00 C ATOM 692 CG2 VAL A 40 0.804 10.309 -2.932 1.00 0.00 C ATOM 0 H VAL A 40 -2.270 11.659 -1.678 1.00 0.00 H new ATOM 0 HA VAL A 40 0.503 12.591 -1.325 1.00 0.00 H new ATOM 0 HB VAL A 40 -0.646 11.577 -3.911 1.00 0.00 H new ATOM 0 HG11 VAL A 40 1.678 11.990 -4.811 1.00 0.00 H new ATOM 0 HG12 VAL A 40 0.906 13.488 -4.238 1.00 0.00 H new ATOM 0 HG13 VAL A 40 2.136 12.682 -3.236 1.00 0.00 H new ATOM 0 HG21 VAL A 40 1.176 9.854 -3.850 1.00 0.00 H new ATOM 0 HG22 VAL A 40 1.624 10.417 -2.222 1.00 0.00 H new ATOM 0 HG23 VAL A 40 0.031 9.674 -2.499 1.00 0.00 H new ATOM 702 N GLU A 41 -0.291 14.858 -2.149 1.00 0.00 N ATOM 703 CA GLU A 41 -0.779 16.215 -2.426 1.00 0.00 C ATOM 704 C GLU A 41 -1.094 16.413 -3.922 1.00 0.00 C ATOM 705 O GLU A 41 -0.278 16.096 -4.790 1.00 0.00 O ATOM 706 CB GLU A 41 0.254 17.239 -1.924 1.00 0.00 C ATOM 707 CG GLU A 41 -0.260 18.682 -2.006 1.00 0.00 C ATOM 708 CD GLU A 41 0.749 19.665 -1.393 1.00 0.00 C ATOM 709 OE1 GLU A 41 0.668 19.938 -0.172 1.00 0.00 O ATOM 710 OE2 GLU A 41 1.624 20.179 -2.130 1.00 0.00 O ATOM 0 H GLU A 41 0.651 14.841 -1.758 1.00 0.00 H new ATOM 0 HA GLU A 41 -1.717 16.368 -1.892 1.00 0.00 H new ATOM 0 HB2 GLU A 41 0.517 17.009 -0.892 1.00 0.00 H new ATOM 0 HB3 GLU A 41 1.167 17.148 -2.513 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -0.444 18.947 -3.047 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -1.213 18.762 -1.484 1.00 0.00 H new ATOM 717 N GLY A 42 -2.290 16.936 -4.221 1.00 0.00 N ATOM 718 CA GLY A 42 -2.789 17.153 -5.588 1.00 0.00 C ATOM 719 C GLY A 42 -3.634 16.003 -6.150 1.00 0.00 C ATOM 720 O GLY A 42 -4.086 16.097 -7.293 1.00 0.00 O ATOM 0 H GLY A 42 -2.954 17.227 -3.504 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -3.385 18.065 -5.602 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -1.938 17.318 -6.249 1.00 0.00 H new ATOM 724 N PHE A 43 -3.879 14.946 -5.363 1.00 0.00 N ATOM 725 CA PHE A 43 -4.702 13.787 -5.728 1.00 0.00 C ATOM 726 C PHE A 43 -5.830 13.590 -4.704 1.00 0.00 C ATOM 727 O PHE A 43 -5.592 13.590 -3.494 1.00 0.00 O ATOM 728 CB PHE A 43 -3.811 12.538 -5.836 1.00 0.00 C ATOM 729 CG PHE A 43 -2.725 12.646 -6.892 1.00 0.00 C ATOM 730 CD1 PHE A 43 -2.979 12.254 -8.221 1.00 0.00 C ATOM 731 CD2 PHE A 43 -1.469 13.185 -6.555 1.00 0.00 C ATOM 732 CE1 PHE A 43 -1.984 12.403 -9.204 1.00 0.00 C ATOM 733 CE2 PHE A 43 -0.480 13.344 -7.539 1.00 0.00 C ATOM 734 CZ PHE A 43 -0.735 12.952 -8.865 1.00 0.00 C ATOM 0 H PHE A 43 -3.495 14.873 -4.421 1.00 0.00 H new ATOM 0 HA PHE A 43 -5.168 13.960 -6.698 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -3.346 12.351 -4.868 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -4.438 11.675 -6.060 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -3.940 11.838 -8.486 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -1.265 13.477 -5.535 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -2.180 12.095 -10.221 1.00 0.00 H new ATOM 0 HE2 PHE A 43 0.478 13.768 -7.277 1.00 0.00 H new ATOM 0 HZ PHE A 43 0.027 13.072 -9.621 1.00 0.00 H new ATOM 744 N ASN A 44 -7.065 13.428 -5.190 1.00 0.00 N ATOM 745 CA ASN A 44 -8.268 13.356 -4.346 1.00 0.00 C ATOM 746 C ASN A 44 -8.532 11.957 -3.749 1.00 0.00 C ATOM 747 O ASN A 44 -9.323 11.823 -2.813 1.00 0.00 O ATOM 748 CB ASN A 44 -9.482 13.836 -5.161 1.00 0.00 C ATOM 749 CG ASN A 44 -9.367 15.297 -5.595 1.00 0.00 C ATOM 750 OD1 ASN A 44 -9.048 16.183 -4.809 1.00 0.00 O ATOM 751 ND2 ASN A 44 -9.622 15.594 -6.858 1.00 0.00 N ATOM 0 H ASN A 44 -7.262 13.342 -6.187 1.00 0.00 H new ATOM 0 HA ASN A 44 -8.098 14.008 -3.489 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -9.592 13.207 -6.045 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -10.386 13.709 -4.566 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -9.553 16.560 -7.179 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -9.887 14.857 -7.512 1.00 0.00 H new ATOM 758 N TYR A 45 -7.871 10.913 -4.264 1.00 0.00 N ATOM 759 CA TYR A 45 -7.982 9.536 -3.770 1.00 0.00 C ATOM 760 C TYR A 45 -7.111 9.277 -2.523 1.00 0.00 C ATOM 761 O TYR A 45 -6.092 9.937 -2.305 1.00 0.00 O ATOM 762 CB TYR A 45 -7.627 8.573 -4.913 1.00 0.00 C ATOM 763 CG TYR A 45 -7.885 7.108 -4.607 1.00 0.00 C ATOM 764 CD1 TYR A 45 -9.208 6.652 -4.453 1.00 0.00 C ATOM 765 CD2 TYR A 45 -6.814 6.208 -4.444 1.00 0.00 C ATOM 766 CE1 TYR A 45 -9.462 5.308 -4.120 1.00 0.00 C ATOM 767 CE2 TYR A 45 -7.059 4.859 -4.118 1.00 0.00 C ATOM 768 CZ TYR A 45 -8.388 4.408 -3.939 1.00 0.00 C ATOM 769 OH TYR A 45 -8.647 3.119 -3.588 1.00 0.00 O ATOM 0 H TYR A 45 -7.231 11.005 -5.053 1.00 0.00 H new ATOM 0 HA TYR A 45 -9.010 9.366 -3.449 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -8.200 8.852 -5.797 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -6.573 8.699 -5.163 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -10.032 7.336 -4.591 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -5.799 6.554 -4.570 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -10.479 4.964 -4.003 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -6.234 4.171 -4.005 1.00 0.00 H new ATOM 0 HH TYR A 45 -7.856 2.732 -3.159 1.00 0.00 H new ATOM 779 N ALA A 46 -7.498 8.277 -1.725 1.00 0.00 N ATOM 780 CA ALA A 46 -6.717 7.735 -0.614 1.00 0.00 C ATOM 781 C ALA A 46 -6.657 6.205 -0.747 1.00 0.00 C ATOM 782 O ALA A 46 -7.677 5.523 -0.616 1.00 0.00 O ATOM 783 CB ALA A 46 -7.356 8.190 0.705 1.00 0.00 C ATOM 0 H ALA A 46 -8.396 7.808 -1.841 1.00 0.00 H new ATOM 0 HA ALA A 46 -5.692 8.104 -0.629 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -6.783 7.793 1.543 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -7.359 9.279 0.751 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -8.381 7.822 0.759 1.00 0.00 H new ATOM 789 N GLY A 47 -5.463 5.674 -1.031 1.00 0.00 N ATOM 790 CA GLY A 47 -5.231 4.237 -1.206 1.00 0.00 C ATOM 791 C GLY A 47 -5.061 3.549 0.139 1.00 0.00 C ATOM 792 O GLY A 47 -4.534 4.157 1.072 1.00 0.00 O ATOM 0 H GLY A 47 -4.621 6.237 -1.147 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -6.068 3.792 -1.744 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -4.341 4.079 -1.815 1.00 0.00 H new ATOM 796 N MET A 48 -5.497 2.293 0.252 1.00 0.00 N ATOM 797 CA MET A 48 -5.598 1.594 1.535 1.00 0.00 C ATOM 798 C MET A 48 -5.339 0.084 1.460 1.00 0.00 C ATOM 799 O MET A 48 -5.588 -0.565 0.444 1.00 0.00 O ATOM 800 CB MET A 48 -6.958 1.902 2.180 1.00 0.00 C ATOM 801 CG MET A 48 -8.160 1.399 1.369 1.00 0.00 C ATOM 802 SD MET A 48 -9.776 1.732 2.123 1.00 0.00 S ATOM 803 CE MET A 48 -9.712 0.604 3.540 1.00 0.00 C ATOM 0 H MET A 48 -5.791 1.730 -0.546 1.00 0.00 H new ATOM 0 HA MET A 48 -4.793 1.975 2.163 1.00 0.00 H new ATOM 0 HB2 MET A 48 -6.988 1.452 3.173 1.00 0.00 H new ATOM 0 HB3 MET A 48 -7.049 2.980 2.315 1.00 0.00 H new ATOM 0 HG2 MET A 48 -8.133 1.860 0.382 1.00 0.00 H new ATOM 0 HG3 MET A 48 -8.057 0.324 1.222 1.00 0.00 H new ATOM 0 HE1 MET A 48 -10.699 0.538 3.998 1.00 0.00 H new ATOM 0 HE2 MET A 48 -9.401 -0.385 3.204 1.00 0.00 H new ATOM 0 HE3 MET A 48 -8.997 0.980 4.272 1.00 0.00 H new ATOM 813 N GLY A 49 -4.820 -0.461 2.564 1.00 0.00 N ATOM 814 CA GLY A 49 -4.468 -1.871 2.751 1.00 0.00 C ATOM 815 C GLY A 49 -4.589 -2.320 4.206 1.00 0.00 C ATOM 816 O GLY A 49 -4.823 -1.504 5.096 1.00 0.00 O ATOM 0 H GLY A 49 -4.624 0.098 3.394 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -5.116 -2.489 2.129 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -3.446 -2.035 2.408 1.00 0.00 H new ATOM 820 N ASN A 50 -4.413 -3.618 4.456 1.00 0.00 N ATOM 821 CA ASN A 50 -4.429 -4.203 5.804 1.00 0.00 C ATOM 822 C ASN A 50 -3.677 -5.544 5.880 1.00 0.00 C ATOM 823 O ASN A 50 -3.559 -6.254 4.880 1.00 0.00 O ATOM 824 CB ASN A 50 -5.874 -4.321 6.330 1.00 0.00 C ATOM 825 CG ASN A 50 -6.692 -5.389 5.610 1.00 0.00 C ATOM 826 OD1 ASN A 50 -6.661 -6.562 5.964 1.00 0.00 O ATOM 827 ND2 ASN A 50 -7.447 -5.020 4.591 1.00 0.00 N ATOM 0 H ASN A 50 -4.253 -4.305 3.720 1.00 0.00 H new ATOM 0 HA ASN A 50 -3.886 -3.521 6.458 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -5.848 -4.550 7.395 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -6.372 -3.358 6.223 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -8.008 -5.713 4.095 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -7.469 -4.043 4.300 1.00 0.00 H new ATOM 834 N SER A 51 -3.180 -5.898 7.068 1.00 0.00 N ATOM 835 CA SER A 51 -2.464 -7.153 7.354 1.00 0.00 C ATOM 836 C SER A 51 -2.286 -7.369 8.874 1.00 0.00 C ATOM 837 O SER A 51 -2.718 -6.547 9.684 1.00 0.00 O ATOM 838 CB SER A 51 -1.104 -7.167 6.628 1.00 0.00 C ATOM 839 OG SER A 51 -0.551 -8.477 6.646 1.00 0.00 O ATOM 0 H SER A 51 -3.266 -5.300 7.890 1.00 0.00 H new ATOM 0 HA SER A 51 -3.066 -7.981 6.979 1.00 0.00 H new ATOM 0 HB2 SER A 51 -1.230 -6.832 5.599 1.00 0.00 H new ATOM 0 HB3 SER A 51 -0.419 -6.469 7.109 1.00 0.00 H new ATOM 0 HG SER A 51 0.427 -8.419 6.641 1.00 0.00 H new ATOM 845 N THR A 52 -1.617 -8.459 9.276 1.00 0.00 N ATOM 846 CA THR A 52 -1.206 -8.752 10.665 1.00 0.00 C ATOM 847 C THR A 52 0.044 -7.955 11.078 1.00 0.00 C ATOM 848 O THR A 52 0.469 -8.017 12.230 1.00 0.00 O ATOM 849 CB THR A 52 -1.007 -10.270 10.844 1.00 0.00 C ATOM 850 OG1 THR A 52 -2.028 -10.965 10.153 1.00 0.00 O ATOM 851 CG2 THR A 52 -1.109 -10.737 12.298 1.00 0.00 C ATOM 0 H THR A 52 -1.335 -9.190 8.623 1.00 0.00 H new ATOM 0 HA THR A 52 -2.004 -8.429 11.333 1.00 0.00 H new ATOM 0 HB THR A 52 -0.005 -10.476 10.467 1.00 0.00 H new ATOM 0 HG1 THR A 52 -1.900 -11.930 10.265 1.00 0.00 H new ATOM 0 HG21 THR A 52 -0.958 -11.816 12.345 1.00 0.00 H new ATOM 0 HG22 THR A 52 -0.346 -10.238 12.895 1.00 0.00 H new ATOM 0 HG23 THR A 52 -2.096 -10.491 12.691 1.00 0.00 H new ATOM 859 N ASN A 53 0.621 -7.171 10.161 1.00 0.00 N ATOM 860 CA ASN A 53 1.823 -6.356 10.359 1.00 0.00 C ATOM 861 C ASN A 53 1.725 -5.006 9.626 1.00 0.00 C ATOM 862 O ASN A 53 1.090 -4.876 8.579 1.00 0.00 O ATOM 863 CB ASN A 53 3.042 -7.162 9.892 1.00 0.00 C ATOM 864 CG ASN A 53 4.369 -6.421 10.027 1.00 0.00 C ATOM 865 OD1 ASN A 53 4.648 -5.772 11.028 1.00 0.00 O ATOM 866 ND2 ASN A 53 5.208 -6.468 9.011 1.00 0.00 N ATOM 0 H ASN A 53 0.245 -7.084 9.217 1.00 0.00 H new ATOM 0 HA ASN A 53 1.926 -6.120 11.418 1.00 0.00 H new ATOM 0 HB2 ASN A 53 3.095 -8.087 10.467 1.00 0.00 H new ATOM 0 HB3 ASN A 53 2.900 -7.443 8.849 1.00 0.00 H new ATOM 0 HD21 ASN A 53 6.093 -5.963 9.057 1.00 0.00 H new ATOM 0 HD22 ASN A 53 4.972 -7.009 8.179 1.00 0.00 H new ATOM 873 N LYS A 54 2.391 -3.994 10.179 1.00 0.00 N ATOM 874 CA LYS A 54 2.301 -2.593 9.737 1.00 0.00 C ATOM 875 C LYS A 54 2.989 -2.327 8.389 1.00 0.00 C ATOM 876 O LYS A 54 2.458 -1.579 7.567 1.00 0.00 O ATOM 877 CB LYS A 54 2.867 -1.691 10.849 1.00 0.00 C ATOM 878 CG LYS A 54 1.944 -1.654 12.077 1.00 0.00 C ATOM 879 CD LYS A 54 2.495 -0.705 13.149 1.00 0.00 C ATOM 880 CE LYS A 54 1.532 -0.652 14.341 1.00 0.00 C ATOM 881 NZ LYS A 54 2.048 0.218 15.431 1.00 0.00 N ATOM 0 H LYS A 54 3.026 -4.123 10.967 1.00 0.00 H new ATOM 0 HA LYS A 54 1.250 -2.362 9.563 1.00 0.00 H new ATOM 0 HB2 LYS A 54 3.852 -2.053 11.145 1.00 0.00 H new ATOM 0 HB3 LYS A 54 3.001 -0.680 10.464 1.00 0.00 H new ATOM 0 HG2 LYS A 54 0.947 -1.331 11.778 1.00 0.00 H new ATOM 0 HG3 LYS A 54 1.843 -2.657 12.491 1.00 0.00 H new ATOM 0 HD2 LYS A 54 3.477 -1.045 13.478 1.00 0.00 H new ATOM 0 HD3 LYS A 54 2.626 0.293 12.731 1.00 0.00 H new ATOM 0 HE2 LYS A 54 0.562 -0.281 14.008 1.00 0.00 H new ATOM 0 HE3 LYS A 54 1.373 -1.660 14.725 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 1.369 0.228 16.218 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 2.961 -0.150 15.766 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 2.175 1.186 15.072 1.00 0.00 H new ATOM 895 N LYS A 55 4.132 -2.962 8.109 1.00 0.00 N ATOM 896 CA LYS A 55 4.819 -2.817 6.810 1.00 0.00 C ATOM 897 C LYS A 55 4.065 -3.525 5.672 1.00 0.00 C ATOM 898 O LYS A 55 3.945 -2.982 4.574 1.00 0.00 O ATOM 899 CB LYS A 55 6.267 -3.316 6.918 1.00 0.00 C ATOM 900 CG LYS A 55 7.144 -2.354 7.740 1.00 0.00 C ATOM 901 CD LYS A 55 8.640 -2.703 7.666 1.00 0.00 C ATOM 902 CE LYS A 55 9.019 -4.039 8.327 1.00 0.00 C ATOM 903 NZ LYS A 55 8.954 -3.978 9.814 1.00 0.00 N ATOM 0 H LYS A 55 4.606 -3.584 8.763 1.00 0.00 H new ATOM 0 HA LYS A 55 4.834 -1.757 6.558 1.00 0.00 H new ATOM 0 HB2 LYS A 55 6.278 -4.303 7.381 1.00 0.00 H new ATOM 0 HB3 LYS A 55 6.688 -3.428 5.919 1.00 0.00 H new ATOM 0 HG2 LYS A 55 6.995 -1.336 7.380 1.00 0.00 H new ATOM 0 HG3 LYS A 55 6.822 -2.375 8.781 1.00 0.00 H new ATOM 0 HD2 LYS A 55 8.941 -2.732 6.619 1.00 0.00 H new ATOM 0 HD3 LYS A 55 9.210 -1.904 8.140 1.00 0.00 H new ATOM 0 HE2 LYS A 55 8.349 -4.821 7.969 1.00 0.00 H new ATOM 0 HE3 LYS A 55 10.027 -4.319 8.022 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 9.218 -4.902 10.211 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 9.612 -3.251 10.161 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 7.986 -3.738 10.110 1.00 0.00 H new ATOM 917 N ASP A 56 3.467 -4.682 5.960 1.00 0.00 N ATOM 918 CA ASP A 56 2.602 -5.416 5.030 1.00 0.00 C ATOM 919 C ASP A 56 1.286 -4.672 4.749 1.00 0.00 C ATOM 920 O ASP A 56 0.752 -4.741 3.644 1.00 0.00 O ATOM 921 CB ASP A 56 2.315 -6.808 5.601 1.00 0.00 C ATOM 922 CG ASP A 56 3.559 -7.711 5.587 1.00 0.00 C ATOM 923 OD1 ASP A 56 4.335 -7.665 6.571 1.00 0.00 O ATOM 924 OD2 ASP A 56 3.746 -8.462 4.601 1.00 0.00 O ATOM 0 H ASP A 56 3.571 -5.145 6.863 1.00 0.00 H new ATOM 0 HA ASP A 56 3.126 -5.503 4.078 1.00 0.00 H new ATOM 0 HB2 ASP A 56 1.951 -6.711 6.624 1.00 0.00 H new ATOM 0 HB3 ASP A 56 1.520 -7.279 5.023 1.00 0.00 H new ATOM 929 N ALA A 57 0.779 -3.906 5.719 1.00 0.00 N ATOM 930 CA ALA A 57 -0.370 -3.026 5.507 1.00 0.00 C ATOM 931 C ALA A 57 0.003 -1.802 4.646 1.00 0.00 C ATOM 932 O ALA A 57 -0.748 -1.452 3.733 1.00 0.00 O ATOM 933 CB ALA A 57 -0.948 -2.654 6.879 1.00 0.00 C ATOM 0 H ALA A 57 1.152 -3.879 6.668 1.00 0.00 H new ATOM 0 HA ALA A 57 -1.142 -3.542 4.936 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -1.807 -1.997 6.746 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -1.261 -3.559 7.400 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -0.187 -2.141 7.467 1.00 0.00 H new ATOM 939 N GLN A 58 1.175 -1.194 4.879 1.00 0.00 N ATOM 940 CA GLN A 58 1.706 -0.094 4.059 1.00 0.00 C ATOM 941 C GLN A 58 1.941 -0.509 2.602 1.00 0.00 C ATOM 942 O GLN A 58 1.612 0.256 1.700 1.00 0.00 O ATOM 943 CB GLN A 58 3.036 0.430 4.626 1.00 0.00 C ATOM 944 CG GLN A 58 2.919 1.310 5.875 1.00 0.00 C ATOM 945 CD GLN A 58 4.301 1.615 6.453 1.00 0.00 C ATOM 946 OE1 GLN A 58 5.134 2.274 5.840 1.00 0.00 O ATOM 947 NE2 GLN A 58 4.616 1.125 7.633 1.00 0.00 N ATOM 0 H GLN A 58 1.788 -1.455 5.651 1.00 0.00 H new ATOM 0 HA GLN A 58 0.947 0.688 4.087 1.00 0.00 H new ATOM 0 HB2 GLN A 58 3.672 -0.423 4.862 1.00 0.00 H new ATOM 0 HB3 GLN A 58 3.544 1.000 3.848 1.00 0.00 H new ATOM 0 HG2 GLN A 58 2.411 2.241 5.624 1.00 0.00 H new ATOM 0 HG3 GLN A 58 2.309 0.806 6.625 1.00 0.00 H new ATOM 0 HE21 GLN A 58 3.934 0.575 8.155 1.00 0.00 H new ATOM 0 HE22 GLN A 58 5.542 1.295 8.025 1.00 0.00 H new ATOM 956 N SER A 59 2.488 -1.698 2.336 1.00 0.00 N ATOM 957 CA SER A 59 2.736 -2.146 0.957 1.00 0.00 C ATOM 958 C SER A 59 1.435 -2.442 0.189 1.00 0.00 C ATOM 959 O SER A 59 1.348 -2.150 -1.005 1.00 0.00 O ATOM 960 CB SER A 59 3.694 -3.346 0.939 1.00 0.00 C ATOM 961 OG SER A 59 3.159 -4.475 1.612 1.00 0.00 O ATOM 0 H SER A 59 2.768 -2.368 3.052 1.00 0.00 H new ATOM 0 HA SER A 59 3.217 -1.321 0.431 1.00 0.00 H new ATOM 0 HB2 SER A 59 3.917 -3.614 -0.094 1.00 0.00 H new ATOM 0 HB3 SER A 59 4.637 -3.062 1.405 1.00 0.00 H new ATOM 0 HG SER A 59 2.377 -4.203 2.137 1.00 0.00 H new ATOM 967 N ASN A 60 0.383 -2.908 0.873 1.00 0.00 N ATOM 968 CA ASN A 60 -0.957 -3.019 0.286 1.00 0.00 C ATOM 969 C ASN A 60 -1.586 -1.636 0.030 1.00 0.00 C ATOM 970 O ASN A 60 -2.170 -1.424 -1.035 1.00 0.00 O ATOM 971 CB ASN A 60 -1.859 -3.892 1.172 1.00 0.00 C ATOM 972 CG ASN A 60 -1.648 -5.383 0.926 1.00 0.00 C ATOM 973 OD1 ASN A 60 -2.134 -5.941 -0.051 1.00 0.00 O ATOM 974 ND2 ASN A 60 -0.948 -6.071 1.805 1.00 0.00 N ATOM 0 H ASN A 60 0.436 -3.217 1.844 1.00 0.00 H new ATOM 0 HA ASN A 60 -0.859 -3.504 -0.685 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -1.661 -3.668 2.220 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -2.903 -3.640 0.984 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -0.808 -7.073 1.674 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -0.546 -5.602 2.616 1.00 0.00 H new ATOM 981 N ALA A 61 -1.423 -0.672 0.947 1.00 0.00 N ATOM 982 CA ALA A 61 -1.890 0.707 0.755 1.00 0.00 C ATOM 983 C ALA A 61 -1.185 1.392 -0.424 1.00 0.00 C ATOM 984 O ALA A 61 -1.840 2.030 -1.249 1.00 0.00 O ATOM 985 CB ALA A 61 -1.692 1.488 2.062 1.00 0.00 C ATOM 0 H ALA A 61 -0.963 -0.827 1.844 1.00 0.00 H new ATOM 0 HA ALA A 61 -2.951 0.688 0.505 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -2.036 2.514 1.929 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -2.264 1.014 2.859 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -0.635 1.492 2.327 1.00 0.00 H new ATOM 991 N ALA A 62 0.130 1.196 -0.547 1.00 0.00 N ATOM 992 CA ALA A 62 0.923 1.676 -1.672 1.00 0.00 C ATOM 993 C ALA A 62 0.464 1.045 -2.991 1.00 0.00 C ATOM 994 O ALA A 62 0.178 1.776 -3.940 1.00 0.00 O ATOM 995 CB ALA A 62 2.400 1.401 -1.375 1.00 0.00 C ATOM 0 H ALA A 62 0.680 0.690 0.147 1.00 0.00 H new ATOM 0 HA ALA A 62 0.782 2.750 -1.795 1.00 0.00 H new ATOM 0 HB1 ALA A 62 3.010 1.754 -2.207 1.00 0.00 H new ATOM 0 HB2 ALA A 62 2.691 1.924 -0.464 1.00 0.00 H new ATOM 0 HB3 ALA A 62 2.551 0.330 -1.243 1.00 0.00 H new ATOM 1001 N ARG A 63 0.303 -0.286 -3.041 1.00 0.00 N ATOM 1002 CA ARG A 63 -0.195 -0.979 -4.234 1.00 0.00 C ATOM 1003 C ARG A 63 -1.575 -0.466 -4.661 1.00 0.00 C ATOM 1004 O ARG A 63 -1.799 -0.262 -5.850 1.00 0.00 O ATOM 1005 CB ARG A 63 -0.215 -2.503 -4.002 1.00 0.00 C ATOM 1006 CG ARG A 63 -0.661 -3.310 -5.237 1.00 0.00 C ATOM 1007 CD ARG A 63 0.240 -3.147 -6.475 1.00 0.00 C ATOM 1008 NE ARG A 63 -0.516 -3.365 -7.719 1.00 0.00 N ATOM 1009 CZ ARG A 63 -0.645 -4.480 -8.424 1.00 0.00 C ATOM 1010 NH1 ARG A 63 -0.077 -5.614 -8.071 1.00 0.00 N ATOM 1011 NH2 ARG A 63 -1.379 -4.449 -9.513 1.00 0.00 N ATOM 0 H ARG A 63 0.513 -0.907 -2.260 1.00 0.00 H new ATOM 0 HA ARG A 63 0.491 -0.762 -5.053 1.00 0.00 H new ATOM 0 HB2 ARG A 63 0.782 -2.830 -3.705 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -0.884 -2.727 -3.171 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -0.699 -4.366 -4.969 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -1.675 -3.012 -5.502 1.00 0.00 H new ATOM 0 HD2 ARG A 63 0.675 -2.148 -6.482 1.00 0.00 H new ATOM 0 HD3 ARG A 63 1.067 -3.855 -6.421 1.00 0.00 H new ATOM 0 HE ARG A 63 -1.006 -2.550 -8.088 1.00 0.00 H new ATOM 0 HH11 ARG A 63 0.490 -5.659 -7.224 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -0.204 -6.448 -8.644 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -1.833 -3.581 -9.797 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -1.495 -5.293 -10.074 1.00 0.00 H new ATOM 1025 N ASP A 64 -2.475 -0.198 -3.716 1.00 0.00 N ATOM 1026 CA ASP A 64 -3.818 0.319 -3.993 1.00 0.00 C ATOM 1027 C ASP A 64 -3.812 1.770 -4.516 1.00 0.00 C ATOM 1028 O ASP A 64 -4.606 2.107 -5.396 1.00 0.00 O ATOM 1029 CB ASP A 64 -4.666 0.169 -2.724 1.00 0.00 C ATOM 1030 CG ASP A 64 -6.141 0.506 -2.970 1.00 0.00 C ATOM 1031 OD1 ASP A 64 -6.799 -0.216 -3.757 1.00 0.00 O ATOM 1032 OD2 ASP A 64 -6.630 1.486 -2.363 1.00 0.00 O ATOM 0 H ASP A 64 -2.291 -0.335 -2.722 1.00 0.00 H new ATOM 0 HA ASP A 64 -4.256 -0.266 -4.801 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -4.585 -0.853 -2.354 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -4.271 0.822 -1.946 1.00 0.00 H new ATOM 1037 N PHE A 65 -2.873 2.610 -4.055 1.00 0.00 N ATOM 1038 CA PHE A 65 -2.683 3.958 -4.600 1.00 0.00 C ATOM 1039 C PHE A 65 -1.964 3.940 -5.958 1.00 0.00 C ATOM 1040 O PHE A 65 -2.356 4.673 -6.861 1.00 0.00 O ATOM 1041 CB PHE A 65 -1.949 4.844 -3.587 1.00 0.00 C ATOM 1042 CG PHE A 65 -2.014 6.320 -3.941 1.00 0.00 C ATOM 1043 CD1 PHE A 65 -3.141 7.081 -3.578 1.00 0.00 C ATOM 1044 CD2 PHE A 65 -0.976 6.926 -4.673 1.00 0.00 C ATOM 1045 CE1 PHE A 65 -3.232 8.435 -3.944 1.00 0.00 C ATOM 1046 CE2 PHE A 65 -1.062 8.284 -5.028 1.00 0.00 C ATOM 1047 CZ PHE A 65 -2.192 9.038 -4.671 1.00 0.00 C ATOM 0 H PHE A 65 -2.230 2.374 -3.299 1.00 0.00 H new ATOM 0 HA PHE A 65 -3.670 4.384 -4.780 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -2.382 4.693 -2.598 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -0.905 4.534 -3.529 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -3.940 6.622 -3.015 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -0.112 6.347 -4.963 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -4.102 9.012 -3.666 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -0.256 8.749 -5.577 1.00 0.00 H new ATOM 0 HZ PHE A 65 -2.261 10.078 -4.954 1.00 0.00 H new ATOM 1057 N VAL A 66 -0.968 3.070 -6.149 1.00 0.00 N ATOM 1058 CA VAL A 66 -0.307 2.857 -7.454 1.00 0.00 C ATOM 1059 C VAL A 66 -1.314 2.355 -8.492 1.00 0.00 C ATOM 1060 O VAL A 66 -1.342 2.851 -9.616 1.00 0.00 O ATOM 1061 CB VAL A 66 0.887 1.884 -7.332 1.00 0.00 C ATOM 1062 CG1 VAL A 66 1.460 1.456 -8.693 1.00 0.00 C ATOM 1063 CG2 VAL A 66 2.009 2.549 -6.524 1.00 0.00 C ATOM 0 H VAL A 66 -0.590 2.487 -5.402 1.00 0.00 H new ATOM 0 HA VAL A 66 0.085 3.817 -7.789 1.00 0.00 H new ATOM 0 HB VAL A 66 0.510 0.991 -6.834 1.00 0.00 H new ATOM 0 HG11 VAL A 66 2.295 0.773 -8.538 1.00 0.00 H new ATOM 0 HG12 VAL A 66 0.685 0.955 -9.273 1.00 0.00 H new ATOM 0 HG13 VAL A 66 1.807 2.336 -9.235 1.00 0.00 H new ATOM 0 HG21 VAL A 66 2.851 1.863 -6.438 1.00 0.00 H new ATOM 0 HG22 VAL A 66 2.332 3.458 -7.030 1.00 0.00 H new ATOM 0 HG23 VAL A 66 1.642 2.799 -5.529 1.00 0.00 H new ATOM 1073 N ASN A 67 -2.201 1.441 -8.097 1.00 0.00 N ATOM 1074 CA ASN A 67 -3.326 1.002 -8.932 1.00 0.00 C ATOM 1075 C ASN A 67 -4.212 2.186 -9.356 1.00 0.00 C ATOM 1076 O ASN A 67 -4.458 2.354 -10.548 1.00 0.00 O ATOM 1077 CB ASN A 67 -4.150 -0.088 -8.221 1.00 0.00 C ATOM 1078 CG ASN A 67 -3.495 -1.467 -8.213 1.00 0.00 C ATOM 1079 OD1 ASN A 67 -2.576 -1.769 -8.968 1.00 0.00 O ATOM 1080 ND2 ASN A 67 -3.973 -2.365 -7.372 1.00 0.00 N ATOM 0 H ASN A 67 -2.162 0.982 -7.187 1.00 0.00 H new ATOM 0 HA ASN A 67 -2.911 0.567 -9.841 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -4.329 0.222 -7.191 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -5.124 -0.164 -8.705 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -3.579 -3.305 -7.352 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -4.737 -2.119 -6.743 1.00 0.00 H new ATOM 1087 N TYR A 68 -4.600 3.082 -8.440 1.00 0.00 N ATOM 1088 CA TYR A 68 -5.276 4.343 -8.790 1.00 0.00 C ATOM 1089 C TYR A 68 -4.462 5.207 -9.777 1.00 0.00 C ATOM 1090 O TYR A 68 -5.011 5.655 -10.785 1.00 0.00 O ATOM 1091 CB TYR A 68 -5.642 5.110 -7.508 1.00 0.00 C ATOM 1092 CG TYR A 68 -5.945 6.581 -7.725 1.00 0.00 C ATOM 1093 CD1 TYR A 68 -7.191 6.978 -8.248 1.00 0.00 C ATOM 1094 CD2 TYR A 68 -4.964 7.552 -7.435 1.00 0.00 C ATOM 1095 CE1 TYR A 68 -7.460 8.341 -8.475 1.00 0.00 C ATOM 1096 CE2 TYR A 68 -5.225 8.915 -7.662 1.00 0.00 C ATOM 1097 CZ TYR A 68 -6.482 9.316 -8.175 1.00 0.00 C ATOM 1098 OH TYR A 68 -6.764 10.636 -8.367 1.00 0.00 O ATOM 0 H TYR A 68 -4.456 2.956 -7.438 1.00 0.00 H new ATOM 0 HA TYR A 68 -6.195 4.095 -9.320 1.00 0.00 H new ATOM 0 HB2 TYR A 68 -6.510 4.636 -7.050 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -4.819 5.021 -6.798 1.00 0.00 H new ATOM 0 HD1 TYR A 68 -7.941 6.235 -8.475 1.00 0.00 H new ATOM 0 HD2 TYR A 68 -4.008 7.247 -7.037 1.00 0.00 H new ATOM 0 HE1 TYR A 68 -8.415 8.642 -8.879 1.00 0.00 H new ATOM 0 HE2 TYR A 68 -4.468 9.654 -7.445 1.00 0.00 H new ATOM 0 HH TYR A 68 -5.987 11.177 -8.112 1.00 0.00 H new ATOM 1108 N LEU A 69 -3.147 5.363 -9.571 1.00 0.00 N ATOM 1109 CA LEU A 69 -2.268 6.110 -10.485 1.00 0.00 C ATOM 1110 C LEU A 69 -2.185 5.488 -11.890 1.00 0.00 C ATOM 1111 O LEU A 69 -2.082 6.227 -12.867 1.00 0.00 O ATOM 1112 CB LEU A 69 -0.867 6.266 -9.878 1.00 0.00 C ATOM 1113 CG LEU A 69 -0.756 7.125 -8.602 1.00 0.00 C ATOM 1114 CD1 LEU A 69 0.677 6.992 -8.064 1.00 0.00 C ATOM 1115 CD2 LEU A 69 -1.104 8.597 -8.870 1.00 0.00 C ATOM 0 H LEU A 69 -2.660 4.974 -8.764 1.00 0.00 H new ATOM 0 HA LEU A 69 -2.717 7.095 -10.611 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -0.481 5.272 -9.653 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -0.214 6.698 -10.636 1.00 0.00 H new ATOM 0 HG LEU A 69 -1.474 6.769 -7.864 1.00 0.00 H new ATOM 0 HD11 LEU A 69 0.783 7.591 -7.160 1.00 0.00 H new ATOM 0 HD12 LEU A 69 0.884 5.947 -7.833 1.00 0.00 H new ATOM 0 HD13 LEU A 69 1.382 7.344 -8.817 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -1.013 9.167 -7.945 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -0.420 9.003 -9.615 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -2.127 8.667 -9.240 1.00 0.00 H new ATOM 1127 N VAL A 70 -2.292 4.162 -12.020 1.00 0.00 N ATOM 1128 CA VAL A 70 -2.407 3.475 -13.326 1.00 0.00 C ATOM 1129 C VAL A 70 -3.789 3.695 -13.954 1.00 0.00 C ATOM 1130 O VAL A 70 -3.876 3.958 -15.153 1.00 0.00 O ATOM 1131 CB VAL A 70 -2.087 1.964 -13.234 1.00 0.00 C ATOM 1132 CG1 VAL A 70 -2.293 1.224 -14.569 1.00 0.00 C ATOM 1133 CG2 VAL A 70 -0.640 1.722 -12.792 1.00 0.00 C ATOM 0 H VAL A 70 -2.302 3.525 -11.223 1.00 0.00 H new ATOM 0 HA VAL A 70 -1.656 3.925 -13.975 1.00 0.00 H new ATOM 0 HB VAL A 70 -2.786 1.572 -12.495 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -2.053 0.169 -14.441 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -3.332 1.324 -14.884 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -1.641 1.655 -15.328 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -0.450 0.650 -12.738 1.00 0.00 H new ATOM 0 HG22 VAL A 70 0.041 2.175 -13.512 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -0.480 2.168 -11.811 1.00 0.00 H new ATOM 1143 N ARG A 71 -4.861 3.667 -13.148 1.00 0.00 N ATOM 1144 CA ARG A 71 -6.233 3.953 -13.614 1.00 0.00 C ATOM 1145 C ARG A 71 -6.393 5.381 -14.174 1.00 0.00 C ATOM 1146 O ARG A 71 -7.183 5.584 -15.096 1.00 0.00 O ATOM 1147 CB ARG A 71 -7.274 3.716 -12.502 1.00 0.00 C ATOM 1148 CG ARG A 71 -7.489 2.234 -12.154 1.00 0.00 C ATOM 1149 CD ARG A 71 -8.546 2.104 -11.048 1.00 0.00 C ATOM 1150 NE ARG A 71 -8.755 0.699 -10.648 1.00 0.00 N ATOM 1151 CZ ARG A 71 -8.532 0.156 -9.456 1.00 0.00 C ATOM 1152 NH1 ARG A 71 -7.988 0.820 -8.457 1.00 0.00 N ATOM 1153 NH2 ARG A 71 -8.870 -1.096 -9.255 1.00 0.00 N ATOM 0 H ARG A 71 -4.805 3.446 -12.154 1.00 0.00 H new ATOM 0 HA ARG A 71 -6.414 3.253 -14.429 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -6.959 4.248 -11.604 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -8.226 4.148 -12.811 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -7.809 1.686 -13.040 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -6.550 1.789 -11.825 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -8.237 2.686 -10.180 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -9.489 2.526 -11.396 1.00 0.00 H new ATOM 0 HE ARG A 71 -9.112 0.073 -11.370 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -7.718 1.796 -8.580 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -7.837 0.358 -7.560 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -9.297 -1.636 -10.008 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -8.706 -1.529 -8.346 1.00 0.00 H new ATOM 1167 N ILE A 72 -5.617 6.355 -13.677 1.00 0.00 N ATOM 1168 CA ILE A 72 -5.573 7.742 -14.203 1.00 0.00 C ATOM 1169 C ILE A 72 -4.393 8.011 -15.163 1.00 0.00 C ATOM 1170 O ILE A 72 -4.191 9.149 -15.584 1.00 0.00 O ATOM 1171 CB ILE A 72 -5.666 8.789 -13.064 1.00 0.00 C ATOM 1172 CG1 ILE A 72 -4.418 8.811 -12.157 1.00 0.00 C ATOM 1173 CG2 ILE A 72 -6.948 8.562 -12.238 1.00 0.00 C ATOM 1174 CD1 ILE A 72 -4.291 10.088 -11.321 1.00 0.00 C ATOM 0 H ILE A 72 -4.990 6.207 -12.886 1.00 0.00 H new ATOM 0 HA ILE A 72 -6.464 7.854 -14.821 1.00 0.00 H new ATOM 0 HB ILE A 72 -5.711 9.771 -13.536 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -4.450 7.951 -11.489 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -3.527 8.701 -12.776 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -7.003 9.303 -11.441 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -7.820 8.660 -12.885 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -6.929 7.562 -11.804 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -3.391 10.034 -10.708 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -4.227 10.952 -11.983 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -5.164 10.189 -10.676 1.00 0.00 H new ATOM 1186 N ASN A 73 -3.610 6.981 -15.505 1.00 0.00 N ATOM 1187 CA ASN A 73 -2.508 6.997 -16.486 1.00 0.00 C ATOM 1188 C ASN A 73 -1.277 7.840 -16.060 1.00 0.00 C ATOM 1189 O ASN A 73 -0.463 8.240 -16.894 1.00 0.00 O ATOM 1190 CB ASN A 73 -3.055 7.350 -17.887 1.00 0.00 C ATOM 1191 CG ASN A 73 -2.105 6.965 -19.023 1.00 0.00 C ATOM 1192 OD1 ASN A 73 -1.451 5.928 -19.000 1.00 0.00 O ATOM 1193 ND2 ASN A 73 -2.013 7.781 -20.059 1.00 0.00 N ATOM 0 H ASN A 73 -3.732 6.060 -15.083 1.00 0.00 H new ATOM 0 HA ASN A 73 -2.100 5.987 -16.529 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -4.010 6.845 -18.034 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -3.250 8.421 -17.934 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -1.398 7.548 -20.839 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -2.557 8.644 -20.079 1.00 0.00 H new ATOM 1200 N GLU A 74 -1.111 8.086 -14.754 1.00 0.00 N ATOM 1201 CA GLU A 74 0.057 8.759 -14.157 1.00 0.00 C ATOM 1202 C GLU A 74 1.188 7.779 -13.765 1.00 0.00 C ATOM 1203 O GLU A 74 2.284 8.200 -13.387 1.00 0.00 O ATOM 1204 CB GLU A 74 -0.398 9.610 -12.958 1.00 0.00 C ATOM 1205 CG GLU A 74 -1.281 10.804 -13.355 1.00 0.00 C ATOM 1206 CD GLU A 74 -0.561 11.795 -14.285 1.00 0.00 C ATOM 1207 OE1 GLU A 74 0.545 12.263 -13.925 1.00 0.00 O ATOM 1208 OE2 GLU A 74 -1.100 12.124 -15.367 1.00 0.00 O ATOM 0 H GLU A 74 -1.806 7.815 -14.059 1.00 0.00 H new ATOM 0 HA GLU A 74 0.489 9.410 -14.917 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -0.948 8.977 -12.261 1.00 0.00 H new ATOM 0 HB3 GLU A 74 0.481 9.978 -12.429 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -2.180 10.436 -13.850 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -1.604 11.327 -12.455 1.00 0.00 H new ATOM 1215 N VAL A 75 0.938 6.471 -13.903 1.00 0.00 N ATOM 1216 CA VAL A 75 1.897 5.355 -13.824 1.00 0.00 C ATOM 1217 C VAL A 75 1.543 4.372 -14.950 1.00 0.00 C ATOM 1218 O VAL A 75 0.365 4.188 -15.256 1.00 0.00 O ATOM 1219 CB VAL A 75 1.837 4.634 -12.451 1.00 0.00 C ATOM 1220 CG1 VAL A 75 2.776 3.419 -12.388 1.00 0.00 C ATOM 1221 CG2 VAL A 75 2.268 5.522 -11.279 1.00 0.00 C ATOM 0 H VAL A 75 -0.008 6.137 -14.086 1.00 0.00 H new ATOM 0 HA VAL A 75 2.912 5.738 -13.932 1.00 0.00 H new ATOM 0 HB VAL A 75 0.789 4.349 -12.362 1.00 0.00 H new ATOM 0 HG11 VAL A 75 2.698 2.949 -11.408 1.00 0.00 H new ATOM 0 HG12 VAL A 75 2.494 2.701 -13.158 1.00 0.00 H new ATOM 0 HG13 VAL A 75 3.803 3.744 -12.553 1.00 0.00 H new ATOM 0 HG21 VAL A 75 2.202 4.956 -10.350 1.00 0.00 H new ATOM 0 HG22 VAL A 75 3.296 5.852 -11.431 1.00 0.00 H new ATOM 0 HG23 VAL A 75 1.613 6.391 -11.221 1.00 0.00 H new ATOM 1231 N LYS A 76 2.542 3.732 -15.567 1.00 0.00 N ATOM 1232 CA LYS A 76 2.337 2.613 -16.500 1.00 0.00 C ATOM 1233 C LYS A 76 2.550 1.271 -15.780 1.00 0.00 C ATOM 1234 O LYS A 76 3.538 1.102 -15.064 1.00 0.00 O ATOM 1235 CB LYS A 76 3.289 2.751 -17.699 1.00 0.00 C ATOM 1236 CG LYS A 76 3.035 4.020 -18.528 1.00 0.00 C ATOM 1237 CD LYS A 76 3.699 3.954 -19.916 1.00 0.00 C ATOM 1238 CE LYS A 76 2.759 3.478 -21.040 1.00 0.00 C ATOM 1239 NZ LYS A 76 2.297 2.074 -20.886 1.00 0.00 N ATOM 0 H LYS A 76 3.523 3.976 -15.434 1.00 0.00 H new ATOM 0 HA LYS A 76 1.311 2.639 -16.868 1.00 0.00 H new ATOM 0 HB2 LYS A 76 4.318 2.759 -17.339 1.00 0.00 H new ATOM 0 HB3 LYS A 76 3.183 1.877 -18.342 1.00 0.00 H new ATOM 0 HG2 LYS A 76 1.961 4.164 -18.648 1.00 0.00 H new ATOM 0 HG3 LYS A 76 3.415 4.887 -17.987 1.00 0.00 H new ATOM 0 HD2 LYS A 76 4.082 4.942 -20.171 1.00 0.00 H new ATOM 0 HD3 LYS A 76 4.556 3.283 -19.865 1.00 0.00 H new ATOM 0 HE2 LYS A 76 1.889 4.134 -21.075 1.00 0.00 H new ATOM 0 HE3 LYS A 76 3.273 3.578 -21.996 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 1.670 1.826 -21.678 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 3.119 1.437 -20.882 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 1.779 1.975 -19.990 1.00 0.00 H new ATOM 1253 N SER A 77 1.651 0.301 -15.958 1.00 0.00 N ATOM 1254 CA SER A 77 1.699 -0.980 -15.232 1.00 0.00 C ATOM 1255 C SER A 77 3.012 -1.752 -15.449 1.00 0.00 C ATOM 1256 O SER A 77 3.502 -2.384 -14.511 1.00 0.00 O ATOM 1257 CB SER A 77 0.483 -1.853 -15.586 1.00 0.00 C ATOM 1258 OG SER A 77 0.377 -2.055 -16.986 1.00 0.00 O ATOM 0 H SER A 77 0.868 0.376 -16.608 1.00 0.00 H new ATOM 0 HA SER A 77 1.662 -0.735 -14.171 1.00 0.00 H new ATOM 0 HB2 SER A 77 0.567 -2.817 -15.084 1.00 0.00 H new ATOM 0 HB3 SER A 77 -0.426 -1.379 -15.216 1.00 0.00 H new ATOM 0 HG SER A 77 -0.404 -2.615 -17.178 1.00 0.00 H new ATOM 1264 N GLU A 78 3.658 -1.607 -16.614 1.00 0.00 N ATOM 1265 CA GLU A 78 4.948 -2.238 -16.937 1.00 0.00 C ATOM 1266 C GLU A 78 6.085 -1.852 -15.969 1.00 0.00 C ATOM 1267 O GLU A 78 7.060 -2.594 -15.838 1.00 0.00 O ATOM 1268 CB GLU A 78 5.395 -1.905 -18.374 1.00 0.00 C ATOM 1269 CG GLU A 78 4.344 -2.147 -19.468 1.00 0.00 C ATOM 1270 CD GLU A 78 3.584 -0.858 -19.804 1.00 0.00 C ATOM 1271 OE1 GLU A 78 2.688 -0.461 -19.028 1.00 0.00 O ATOM 1272 OE2 GLU A 78 3.900 -0.209 -20.828 1.00 0.00 O ATOM 0 H GLU A 78 3.292 -1.036 -17.375 1.00 0.00 H new ATOM 0 HA GLU A 78 4.768 -3.308 -16.835 1.00 0.00 H new ATOM 0 HB2 GLU A 78 5.695 -0.858 -18.409 1.00 0.00 H new ATOM 0 HB3 GLU A 78 6.279 -2.498 -18.607 1.00 0.00 H new ATOM 0 HG2 GLU A 78 4.831 -2.529 -20.365 1.00 0.00 H new ATOM 0 HG3 GLU A 78 3.640 -2.911 -19.137 1.00 0.00 H new ATOM 1279 N GLU A 79 5.957 -0.719 -15.268 1.00 0.00 N ATOM 1280 CA GLU A 79 6.935 -0.237 -14.286 1.00 0.00 C ATOM 1281 C GLU A 79 6.676 -0.767 -12.863 1.00 0.00 C ATOM 1282 O GLU A 79 7.568 -0.712 -12.016 1.00 0.00 O ATOM 1283 CB GLU A 79 6.900 1.300 -14.247 1.00 0.00 C ATOM 1284 CG GLU A 79 7.266 1.986 -15.573 1.00 0.00 C ATOM 1285 CD GLU A 79 8.700 1.664 -16.025 1.00 0.00 C ATOM 1286 OE1 GLU A 79 9.664 2.129 -15.373 1.00 0.00 O ATOM 1287 OE2 GLU A 79 8.873 0.967 -17.053 1.00 0.00 O ATOM 0 H GLU A 79 5.154 -0.099 -15.370 1.00 0.00 H new ATOM 0 HA GLU A 79 7.909 -0.608 -14.604 1.00 0.00 H new ATOM 0 HB2 GLU A 79 5.900 1.619 -13.952 1.00 0.00 H new ATOM 0 HB3 GLU A 79 7.586 1.646 -13.474 1.00 0.00 H new ATOM 0 HG2 GLU A 79 6.565 1.672 -16.347 1.00 0.00 H new ATOM 0 HG3 GLU A 79 7.157 3.065 -15.463 1.00 0.00 H new ATOM 1294 N VAL A 80 5.472 -1.275 -12.586 1.00 0.00 N ATOM 1295 CA VAL A 80 5.002 -1.605 -11.229 1.00 0.00 C ATOM 1296 C VAL A 80 5.578 -2.957 -10.766 1.00 0.00 C ATOM 1297 O VAL A 80 5.384 -3.954 -11.468 1.00 0.00 O ATOM 1298 CB VAL A 80 3.455 -1.618 -11.150 1.00 0.00 C ATOM 1299 CG1 VAL A 80 2.962 -1.947 -9.732 1.00 0.00 C ATOM 1300 CG2 VAL A 80 2.873 -0.252 -11.557 1.00 0.00 C ATOM 0 H VAL A 80 4.780 -1.474 -13.309 1.00 0.00 H new ATOM 0 HA VAL A 80 5.362 -0.825 -10.558 1.00 0.00 H new ATOM 0 HB VAL A 80 3.115 -2.391 -11.839 1.00 0.00 H new ATOM 0 HG11 VAL A 80 1.872 -1.947 -9.717 1.00 0.00 H new ATOM 0 HG12 VAL A 80 3.329 -2.930 -9.438 1.00 0.00 H new ATOM 0 HG13 VAL A 80 3.335 -1.197 -9.034 1.00 0.00 H new ATOM 0 HG21 VAL A 80 1.785 -0.286 -11.493 1.00 0.00 H new ATOM 0 HG22 VAL A 80 3.252 0.519 -10.886 1.00 0.00 H new ATOM 0 HG23 VAL A 80 3.169 -0.020 -12.580 1.00 0.00 H new ATOM 1310 N PRO A 81 6.254 -3.027 -9.598 1.00 0.00 N ATOM 1311 CA PRO A 81 6.790 -4.273 -9.062 1.00 0.00 C ATOM 1312 C PRO A 81 5.659 -5.135 -8.488 1.00 0.00 C ATOM 1313 O PRO A 81 4.943 -4.725 -7.573 1.00 0.00 O ATOM 1314 CB PRO A 81 7.817 -3.861 -8.004 1.00 0.00 C ATOM 1315 CG PRO A 81 7.287 -2.521 -7.499 1.00 0.00 C ATOM 1316 CD PRO A 81 6.623 -1.911 -8.734 1.00 0.00 C ATOM 0 HA PRO A 81 7.266 -4.888 -9.826 1.00 0.00 H new ATOM 0 HB2 PRO A 81 7.883 -4.595 -7.201 1.00 0.00 H new ATOM 0 HB3 PRO A 81 8.816 -3.763 -8.430 1.00 0.00 H new ATOM 0 HG2 PRO A 81 6.575 -2.652 -6.684 1.00 0.00 H new ATOM 0 HG3 PRO A 81 8.090 -1.888 -7.121 1.00 0.00 H new ATOM 0 HD2 PRO A 81 5.745 -1.329 -8.455 1.00 0.00 H new ATOM 0 HD3 PRO A 81 7.305 -1.233 -9.246 1.00 0.00 H new ATOM 1324 N ALA A 82 5.504 -6.339 -9.045 1.00 0.00 N ATOM 1325 CA ALA A 82 4.469 -7.320 -8.712 1.00 0.00 C ATOM 1326 C ALA A 82 4.860 -8.726 -9.217 1.00 0.00 C ATOM 1327 O ALA A 82 5.810 -8.869 -9.992 1.00 0.00 O ATOM 1328 CB ALA A 82 3.137 -6.846 -9.322 1.00 0.00 C ATOM 0 H ALA A 82 6.130 -6.673 -9.778 1.00 0.00 H new ATOM 0 HA ALA A 82 4.361 -7.397 -7.630 1.00 0.00 H new ATOM 0 HB1 ALA A 82 2.352 -7.564 -9.085 1.00 0.00 H new ATOM 0 HB2 ALA A 82 2.874 -5.872 -8.910 1.00 0.00 H new ATOM 0 HB3 ALA A 82 3.240 -6.766 -10.404 1.00 0.00 H new ATOM 1334 N VAL A 83 4.102 -9.759 -8.827 1.00 0.00 N ATOM 1335 CA VAL A 83 4.266 -11.151 -9.277 1.00 0.00 C ATOM 1336 C VAL A 83 4.134 -11.344 -10.805 1.00 0.00 C ATOM 1337 O VAL A 83 4.619 -12.336 -11.351 1.00 0.00 O ATOM 1338 CB VAL A 83 3.268 -12.041 -8.496 1.00 0.00 C ATOM 1339 CG1 VAL A 83 1.869 -12.142 -9.127 1.00 0.00 C ATOM 1340 CG2 VAL A 83 3.869 -13.420 -8.244 1.00 0.00 C ATOM 0 H VAL A 83 3.332 -9.647 -8.168 1.00 0.00 H new ATOM 0 HA VAL A 83 5.291 -11.451 -9.060 1.00 0.00 H new ATOM 0 HB VAL A 83 3.104 -11.538 -7.543 1.00 0.00 H new ATOM 0 HG11 VAL A 83 1.238 -12.785 -8.513 1.00 0.00 H new ATOM 0 HG12 VAL A 83 1.425 -11.149 -9.188 1.00 0.00 H new ATOM 0 HG13 VAL A 83 1.951 -12.565 -10.128 1.00 0.00 H new ATOM 0 HG21 VAL A 83 3.155 -14.033 -7.694 1.00 0.00 H new ATOM 0 HG22 VAL A 83 4.098 -13.897 -9.197 1.00 0.00 H new ATOM 0 HG23 VAL A 83 4.784 -13.317 -7.660 1.00 0.00 H new ATOM 1350 N GLY A 84 3.508 -10.381 -11.495 1.00 0.00 N ATOM 1351 CA GLY A 84 3.402 -10.288 -12.953 1.00 0.00 C ATOM 1352 C GLY A 84 2.858 -8.928 -13.394 1.00 0.00 C ATOM 1353 O GLY A 84 2.200 -8.232 -12.615 1.00 0.00 O ATOM 0 H GLY A 84 3.039 -9.607 -11.025 1.00 0.00 H new ATOM 0 HA2 GLY A 84 4.383 -10.450 -13.400 1.00 0.00 H new ATOM 0 HA3 GLY A 84 2.748 -11.079 -13.322 1.00 0.00 H new ATOM 1357 N ILE A 85 3.108 -8.539 -14.646 1.00 0.00 N ATOM 1358 CA ILE A 85 2.589 -7.281 -15.216 1.00 0.00 C ATOM 1359 C ILE A 85 1.116 -7.476 -15.605 1.00 0.00 C ATOM 1360 O ILE A 85 0.808 -8.100 -16.622 1.00 0.00 O ATOM 1361 CB ILE A 85 3.463 -6.794 -16.397 1.00 0.00 C ATOM 1362 CG1 ILE A 85 4.963 -6.652 -16.034 1.00 0.00 C ATOM 1363 CG2 ILE A 85 2.923 -5.460 -16.950 1.00 0.00 C ATOM 1364 CD1 ILE A 85 5.281 -5.767 -14.819 1.00 0.00 C ATOM 0 H ILE A 85 3.675 -9.082 -15.297 1.00 0.00 H new ATOM 0 HA ILE A 85 2.640 -6.491 -14.467 1.00 0.00 H new ATOM 0 HB ILE A 85 3.399 -7.566 -17.164 1.00 0.00 H new ATOM 0 HG12 ILE A 85 5.368 -7.647 -15.849 1.00 0.00 H new ATOM 0 HG13 ILE A 85 5.489 -6.249 -16.899 1.00 0.00 H new ATOM 0 HG21 ILE A 85 3.548 -5.130 -17.780 1.00 0.00 H new ATOM 0 HG22 ILE A 85 1.900 -5.598 -17.299 1.00 0.00 H new ATOM 0 HG23 ILE A 85 2.939 -4.707 -16.162 1.00 0.00 H new ATOM 0 HD11 ILE A 85 6.359 -5.741 -14.660 1.00 0.00 H new ATOM 0 HD12 ILE A 85 4.917 -4.756 -15.000 1.00 0.00 H new ATOM 0 HD13 ILE A 85 4.793 -6.175 -13.934 1.00 0.00 H new ATOM 1376 N VAL A 86 0.210 -6.953 -14.776 1.00 0.00 N ATOM 1377 CA VAL A 86 -1.255 -7.071 -14.901 1.00 0.00 C ATOM 1378 C VAL A 86 -1.889 -5.734 -14.465 1.00 0.00 C ATOM 1379 O VAL A 86 -1.535 -5.242 -13.389 1.00 0.00 O ATOM 1380 CB VAL A 86 -1.810 -8.237 -14.036 1.00 0.00 C ATOM 1381 CG1 VAL A 86 -3.329 -8.402 -14.209 1.00 0.00 C ATOM 1382 CG2 VAL A 86 -1.151 -9.592 -14.360 1.00 0.00 C ATOM 0 H VAL A 86 0.485 -6.409 -13.958 1.00 0.00 H new ATOM 0 HA VAL A 86 -1.508 -7.292 -15.938 1.00 0.00 H new ATOM 0 HB VAL A 86 -1.573 -7.961 -13.009 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -3.678 -9.227 -13.588 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -3.831 -7.483 -13.908 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -3.555 -8.613 -15.254 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -1.580 -10.366 -13.724 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -1.328 -9.842 -15.406 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -0.078 -9.527 -14.179 1.00 0.00 H new ATOM 1392 N PRO A 87 -2.786 -5.123 -15.267 1.00 0.00 N ATOM 1393 CA PRO A 87 -3.390 -3.828 -14.954 1.00 0.00 C ATOM 1394 C PRO A 87 -4.446 -3.938 -13.833 1.00 0.00 C ATOM 1395 O PRO A 87 -4.939 -5.039 -13.564 1.00 0.00 O ATOM 1396 CB PRO A 87 -4.009 -3.344 -16.271 1.00 0.00 C ATOM 1397 CG PRO A 87 -4.380 -4.645 -16.978 1.00 0.00 C ATOM 1398 CD PRO A 87 -3.246 -5.584 -16.572 1.00 0.00 C ATOM 0 HA PRO A 87 -2.649 -3.125 -14.573 1.00 0.00 H new ATOM 0 HB2 PRO A 87 -4.883 -2.716 -16.099 1.00 0.00 H new ATOM 0 HB3 PRO A 87 -3.303 -2.755 -16.856 1.00 0.00 H new ATOM 0 HG2 PRO A 87 -5.351 -5.019 -16.654 1.00 0.00 H new ATOM 0 HG3 PRO A 87 -4.432 -4.517 -18.059 1.00 0.00 H new ATOM 0 HD2 PRO A 87 -3.594 -6.616 -16.520 1.00 0.00 H new ATOM 0 HD3 PRO A 87 -2.437 -5.557 -17.302 1.00 0.00 H new ATOM 1406 N PRO A 88 -4.820 -2.815 -13.182 1.00 0.00 N ATOM 1407 CA PRO A 88 -5.850 -2.784 -12.143 1.00 0.00 C ATOM 1408 C PRO A 88 -7.216 -3.287 -12.641 1.00 0.00 C ATOM 1409 O PRO A 88 -7.565 -3.039 -13.800 1.00 0.00 O ATOM 1410 CB PRO A 88 -5.957 -1.320 -11.699 1.00 0.00 C ATOM 1411 CG PRO A 88 -4.608 -0.725 -12.080 1.00 0.00 C ATOM 1412 CD PRO A 88 -4.233 -1.494 -13.340 1.00 0.00 C ATOM 0 HA PRO A 88 -5.571 -3.450 -11.326 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -6.777 -0.808 -12.203 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -6.142 -1.239 -10.628 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -4.679 0.346 -12.268 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -3.870 -0.862 -11.290 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -4.618 -0.998 -14.231 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -3.151 -1.557 -13.453 1.00 0.00 H new ATOM 1420 N PRO A 89 -8.015 -3.952 -11.781 1.00 0.00 N ATOM 1421 CA PRO A 89 -9.359 -4.408 -12.121 1.00 0.00 C ATOM 1422 C PRO A 89 -10.349 -3.237 -12.209 1.00 0.00 C ATOM 1423 O PRO A 89 -10.153 -2.180 -11.606 1.00 0.00 O ATOM 1424 CB PRO A 89 -9.740 -5.398 -11.015 1.00 0.00 C ATOM 1425 CG PRO A 89 -8.974 -4.875 -9.800 1.00 0.00 C ATOM 1426 CD PRO A 89 -7.682 -4.340 -10.417 1.00 0.00 C ATOM 0 HA PRO A 89 -9.389 -4.878 -13.104 1.00 0.00 H new ATOM 0 HB2 PRO A 89 -10.816 -5.410 -10.838 1.00 0.00 H new ATOM 0 HB3 PRO A 89 -9.447 -6.417 -11.268 1.00 0.00 H new ATOM 0 HG2 PRO A 89 -9.527 -4.093 -9.279 1.00 0.00 H new ATOM 0 HG3 PRO A 89 -8.779 -5.665 -9.075 1.00 0.00 H new ATOM 0 HD2 PRO A 89 -7.304 -3.489 -9.851 1.00 0.00 H new ATOM 0 HD3 PRO A 89 -6.902 -5.101 -10.408 1.00 0.00 H new ATOM 1434 N SER A 90 -11.440 -3.442 -12.947 1.00 0.00 N ATOM 1435 CA SER A 90 -12.503 -2.454 -13.198 1.00 0.00 C ATOM 1436 C SER A 90 -13.804 -3.126 -13.689 1.00 0.00 C ATOM 1437 O SER A 90 -13.805 -4.296 -14.092 1.00 0.00 O ATOM 1438 CB SER A 90 -12.023 -1.377 -14.194 1.00 0.00 C ATOM 1439 OG SER A 90 -11.731 -1.914 -15.481 1.00 0.00 O ATOM 0 H SER A 90 -11.620 -4.334 -13.407 1.00 0.00 H new ATOM 0 HA SER A 90 -12.731 -1.966 -12.250 1.00 0.00 H new ATOM 0 HB2 SER A 90 -12.790 -0.608 -14.290 1.00 0.00 H new ATOM 0 HB3 SER A 90 -11.132 -0.891 -13.796 1.00 0.00 H new ATOM 0 HG SER A 90 -11.433 -1.194 -16.076 1.00 0.00 H new ATOM 1445 N GLY A 91 -14.929 -2.397 -13.635 1.00 0.00 N ATOM 1446 CA GLY A 91 -16.269 -2.900 -13.976 1.00 0.00 C ATOM 1447 C GLY A 91 -17.407 -2.141 -13.271 1.00 0.00 C ATOM 1448 O GLY A 91 -17.169 -1.038 -12.763 1.00 0.00 O ATOM 0 H GLY A 91 -14.933 -1.419 -13.346 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -16.411 -2.831 -15.055 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -16.330 -3.956 -13.713 1.00 0.00 H new ATOM 1452 N PRO A 92 -18.635 -2.700 -13.244 1.00 0.00 N ATOM 1453 CA PRO A 92 -19.789 -2.100 -12.575 1.00 0.00 C ATOM 1454 C PRO A 92 -19.662 -2.177 -11.045 1.00 0.00 C ATOM 1455 O PRO A 92 -18.853 -2.931 -10.505 1.00 0.00 O ATOM 1456 CB PRO A 92 -21.002 -2.882 -13.091 1.00 0.00 C ATOM 1457 CG PRO A 92 -20.428 -4.270 -13.367 1.00 0.00 C ATOM 1458 CD PRO A 92 -19.017 -3.963 -13.866 1.00 0.00 C ATOM 0 HA PRO A 92 -19.877 -1.036 -12.796 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -21.803 -2.917 -12.353 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -21.418 -2.432 -13.992 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -20.413 -4.887 -12.469 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -21.012 -4.808 -14.114 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -18.324 -4.758 -13.591 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -18.996 -3.884 -14.953 1.00 0.00 H new ATOM 1466 N SER A 93 -20.474 -1.387 -10.339 1.00 0.00 N ATOM 1467 CA SER A 93 -20.475 -1.283 -8.870 1.00 0.00 C ATOM 1468 C SER A 93 -20.795 -2.618 -8.165 1.00 0.00 C ATOM 1469 O SER A 93 -21.742 -3.323 -8.523 1.00 0.00 O ATOM 1470 CB SER A 93 -21.496 -0.218 -8.428 1.00 0.00 C ATOM 1471 OG SER A 93 -21.293 1.032 -9.084 1.00 0.00 O ATOM 0 H SER A 93 -21.169 -0.785 -10.780 1.00 0.00 H new ATOM 0 HA SER A 93 -19.465 -0.999 -8.575 1.00 0.00 H new ATOM 0 HB2 SER A 93 -22.504 -0.576 -8.637 1.00 0.00 H new ATOM 0 HB3 SER A 93 -21.425 -0.076 -7.350 1.00 0.00 H new ATOM 0 HG SER A 93 -21.963 1.676 -8.775 1.00 0.00 H new ATOM 1477 N SER A 94 -20.025 -2.970 -7.129 1.00 0.00 N ATOM 1478 CA SER A 94 -20.113 -4.268 -6.430 1.00 0.00 C ATOM 1479 C SER A 94 -21.316 -4.408 -5.469 1.00 0.00 C ATOM 1480 O SER A 94 -21.548 -5.492 -4.922 1.00 0.00 O ATOM 1481 CB SER A 94 -18.810 -4.521 -5.650 1.00 0.00 C ATOM 1482 OG SER A 94 -17.659 -4.369 -6.476 1.00 0.00 O ATOM 0 H SER A 94 -19.310 -2.354 -6.742 1.00 0.00 H new ATOM 0 HA SER A 94 -20.266 -5.012 -7.211 1.00 0.00 H new ATOM 0 HB2 SER A 94 -18.749 -3.828 -4.811 1.00 0.00 H new ATOM 0 HB3 SER A 94 -18.827 -5.527 -5.232 1.00 0.00 H new ATOM 0 HG SER A 94 -16.852 -4.536 -5.946 1.00 0.00 H new ATOM 1488 N GLY A 95 -22.086 -3.332 -5.252 1.00 0.00 N ATOM 1489 CA GLY A 95 -23.249 -3.274 -4.352 1.00 0.00 C ATOM 1490 C GLY A 95 -23.997 -1.941 -4.425 1.00 0.00 C ATOM 1491 O GLY A 95 -23.340 -0.881 -4.320 1.00 0.00 O ATOM 1492 OXT GLY A 95 -25.237 -1.967 -4.586 1.00 0.00 O ATOM 0 H GLY A 95 -21.909 -2.442 -5.717 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -23.935 -4.083 -4.602 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -22.917 -3.442 -3.327 1.00 0.00 H new TER 1496 GLY A 95