USER MOD reduce.3.24.130724 H: found=0, std=0, add=1306, rem=0, adj=39 USER MOD reduce.3.24.130724 removed 1306 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: B 41 SER OG : rot 180:sc= -0.213 USER MOD Set 1.2: B 42 HIS : no HD1:sc= 0 X(o=-0.21,f=-0.18) USER MOD Set 2.1: B 26 LYS NZ :NH3+ 134:sc= -1.54 (180deg=-0.628) USER MOD Set 2.2: B 28 LYS NZ :NH3+ -172:sc= -1.25 (180deg=-0.586) USER MOD Set 3.1: A 78 SER OG : rot 75:sc= 0.158 USER MOD Set 3.2: B 74 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 4.1: A 74 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 4.2: B 78 SER OG : rot 76:sc= 0.113 USER MOD Set 5.1: A 41 SER OG : rot 180:sc= -0.238 USER MOD Set 5.2: A 42 HIS : no HD1:sc= 0 X(o=-0.24,f=-0.24) USER MOD Set 6.1: A 26 LYS NZ :NH3+ 137:sc= -2.31 (180deg=-0.751) USER MOD Set 6.2: A 28 LYS NZ :NH3+ 178:sc= -1.29 (180deg=-0.616) USER MOD Single : A 1 SER N :NH3+ -174:sc= 0.712 (180deg=0.246) USER MOD Single : A 1 SER OG : rot -80:sc= 1.09 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 MET CE :methyl -154:sc= -0.201 (180deg=-1.44) USER MOD Single : A 15 HIS : no HD1:sc= 0 K(o=0,f=-0.88) USER MOD Single : A 16 GLN : amide:sc= 0 K(o=0,f=-1.6!) USER MOD Single : A 17 TYR OH : rot 30:sc= 0 USER MOD Single : A 18 SER OG : rot 161:sc= -1.22! USER MOD Single : A 24 LYS NZ :NH3+ 161:sc= -0.0658 (180deg=-0.499) USER MOD Single : A 25 HIS : no HD1:sc= -0.084 K(o=-0.084,f=-0.9) USER MOD Single : A 29 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.115) USER MOD Single : A 30 SER OG : rot 180:sc= -0.0232 USER MOD Single : A 33 LYS NZ :NH3+ -153:sc= -0.0618 (180deg=-0.377) USER MOD Single : A 37 ASN : amide:sc= -0.221 K(o=-0.22,f=-2.1) USER MOD Single : A 38 ASN : amide:sc= -0.176 X(o=-0.18,f=-0.2) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 GLN : amide:sc= 0 X(o=0,f=-0.027) USER MOD Single : A 55 LYS NZ :NH3+ 158:sc= -0.694 (180deg=-1.31) USER MOD Single : A 57 MET CE :methyl -178:sc= 0 (180deg=-0.0109) USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 CYS SG : rot 180:sc= 0 USER MOD Single : A 71 GLN : amide:sc= 0 X(o=0,f=-0.44) USER MOD Single : A 79 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 81 THR OG1 : rot 75:sc= 0.604 USER MOD Single : A 82 THR OG1 : rot 180:sc= -0.314 USER MOD Single : A 84 CYS SG : rot 180:sc= 0 USER MOD Single : B 1 SER N :NH3+ -165:sc= 0.614 (180deg=0.149) USER MOD Single : B 1 SER OG : rot -72:sc= 0.987 USER MOD Single : B 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 7 MET CE :methyl -153:sc= -0.205 (180deg=-1.21) USER MOD Single : B 15 HIS : no HD1:sc= 0 K(o=0,f=-0.88) USER MOD Single : B 16 GLN : amide:sc=-0.00542 K(o=-0.0054,f=-1.6!) USER MOD Single : B 17 TYR OH : rot 180:sc= 0 USER MOD Single : B 18 SER OG : rot 158:sc= -1.33! USER MOD Single : B 24 LYS NZ :NH3+ 160:sc= -0.0476 (180deg=-0.585) USER MOD Single : B 25 HIS : no HD1:sc= -0.0546 K(o=-0.055,f=-0.85) USER MOD Single : B 29 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.081) USER MOD Single : B 30 SER OG : rot 180:sc= -0.0202 USER MOD Single : B 33 LYS NZ :NH3+ -149:sc= -0.146 (180deg=-0.398) USER MOD Single : B 37 ASN : amide:sc= -0.311 K(o=-0.31,f=-2.2!) USER MOD Single : B 38 ASN : amide:sc= -0.213 X(o=-0.21,f=-0.18) USER MOD Single : B 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 50 GLN : amide:sc= 0 X(o=0,f=-0.037) USER MOD Single : B 55 LYS NZ :NH3+ 161:sc= -0.562 (180deg=-1.21) USER MOD Single : B 57 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 59 THR OG1 : rot 180:sc= 0 USER MOD Single : B 68 CYS SG : rot 180:sc= 0 USER MOD Single : B 71 GLN : amide:sc= 0 X(o=0,f=-0.44) USER MOD Single : B 79 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 81 THR OG1 : rot 75:sc= 0.639 USER MOD Single : B 82 THR OG1 : rot 180:sc= -0.311 USER MOD Single : B 84 CYS SG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 67.746 12.818 -9.452 1.00 0.00 N ATOM 2 CA SER A 1 67.733 12.127 -10.771 1.00 0.00 C ATOM 3 C SER A 1 67.207 10.705 -10.574 1.00 0.00 C ATOM 4 O SER A 1 66.479 10.431 -9.640 1.00 0.00 O ATOM 5 CB SER A 1 69.153 12.078 -11.331 1.00 0.00 C ATOM 6 OG SER A 1 69.966 11.289 -10.474 1.00 0.00 O ATOM 0 H1 SER A 1 68.005 13.816 -9.586 1.00 0.00 H new ATOM 0 H2 SER A 1 66.802 12.760 -9.020 1.00 0.00 H new ATOM 0 H3 SER A 1 68.441 12.361 -8.828 1.00 0.00 H new ATOM 0 HA SER A 1 67.092 12.664 -11.470 1.00 0.00 H new ATOM 0 HB2 SER A 1 69.146 11.656 -12.336 1.00 0.00 H new ATOM 0 HB3 SER A 1 69.560 13.086 -11.412 1.00 0.00 H new ATOM 0 HG SER A 1 70.248 11.826 -9.704 1.00 0.00 H new ATOM 14 N GLU A 2 67.543 9.800 -11.450 1.00 0.00 N ATOM 15 CA GLU A 2 67.042 8.404 -11.312 1.00 0.00 C ATOM 16 C GLU A 2 67.634 7.750 -10.057 1.00 0.00 C ATOM 17 O GLU A 2 67.001 6.933 -9.416 1.00 0.00 O ATOM 18 CB GLU A 2 67.462 7.603 -12.545 1.00 0.00 C ATOM 19 CG GLU A 2 66.670 8.091 -13.760 1.00 0.00 C ATOM 20 CD GLU A 2 65.205 7.674 -13.623 1.00 0.00 C ATOM 21 OE1 GLU A 2 64.940 6.755 -12.864 1.00 0.00 O ATOM 22 OE2 GLU A 2 64.373 8.282 -14.277 1.00 0.00 O ATOM 0 H GLU A 2 68.144 9.967 -12.257 1.00 0.00 H new ATOM 0 HA GLU A 2 65.956 8.418 -11.224 1.00 0.00 H new ATOM 0 HB2 GLU A 2 68.531 7.721 -12.722 1.00 0.00 H new ATOM 0 HB3 GLU A 2 67.281 6.541 -12.382 1.00 0.00 H new ATOM 0 HG2 GLU A 2 66.743 9.175 -13.842 1.00 0.00 H new ATOM 0 HG3 GLU A 2 67.093 7.673 -14.674 1.00 0.00 H new ATOM 29 N LEU A 3 68.839 8.103 -9.695 1.00 0.00 N ATOM 30 CA LEU A 3 69.483 7.512 -8.483 1.00 0.00 C ATOM 31 C LEU A 3 68.798 8.015 -7.210 1.00 0.00 C ATOM 32 O LEU A 3 68.625 7.282 -6.256 1.00 0.00 O ATOM 33 CB LEU A 3 70.961 7.929 -8.469 1.00 0.00 C ATOM 34 CG LEU A 3 71.680 7.361 -7.236 1.00 0.00 C ATOM 35 CD1 LEU A 3 71.610 5.826 -7.239 1.00 0.00 C ATOM 36 CD2 LEU A 3 73.145 7.814 -7.275 1.00 0.00 C ATOM 0 H LEU A 3 69.412 8.784 -10.193 1.00 0.00 H new ATOM 0 HA LEU A 3 69.392 6.426 -8.515 1.00 0.00 H new ATOM 0 HB2 LEU A 3 71.451 7.575 -9.376 1.00 0.00 H new ATOM 0 HB3 LEU A 3 71.036 9.016 -8.470 1.00 0.00 H new ATOM 0 HG LEU A 3 71.198 7.726 -6.329 1.00 0.00 H new ATOM 0 HD11 LEU A 3 72.123 5.437 -6.360 1.00 0.00 H new ATOM 0 HD12 LEU A 3 70.567 5.509 -7.220 1.00 0.00 H new ATOM 0 HD13 LEU A 3 72.090 5.442 -8.139 1.00 0.00 H new ATOM 0 HD21 LEU A 3 73.671 7.419 -6.406 1.00 0.00 H new ATOM 0 HD22 LEU A 3 73.617 7.442 -8.185 1.00 0.00 H new ATOM 0 HD23 LEU A 3 73.190 8.903 -7.262 1.00 0.00 H new ATOM 48 N GLU A 4 68.409 9.260 -7.181 1.00 0.00 N ATOM 49 CA GLU A 4 67.741 9.797 -5.964 1.00 0.00 C ATOM 50 C GLU A 4 66.410 9.074 -5.750 1.00 0.00 C ATOM 51 O GLU A 4 66.050 8.740 -4.639 1.00 0.00 O ATOM 52 CB GLU A 4 67.519 11.304 -6.140 1.00 0.00 C ATOM 53 CG GLU A 4 68.864 12.030 -5.998 1.00 0.00 C ATOM 54 CD GLU A 4 69.806 11.605 -7.128 1.00 0.00 C ATOM 55 OE1 GLU A 4 69.702 12.163 -8.206 1.00 0.00 O ATOM 56 OE2 GLU A 4 70.619 10.729 -6.892 1.00 0.00 O ATOM 0 H GLU A 4 68.525 9.926 -7.945 1.00 0.00 H new ATOM 0 HA GLU A 4 68.367 9.632 -5.087 1.00 0.00 H new ATOM 0 HB2 GLU A 4 67.083 11.508 -7.118 1.00 0.00 H new ATOM 0 HB3 GLU A 4 66.814 11.670 -5.394 1.00 0.00 H new ATOM 0 HG2 GLU A 4 68.710 13.109 -6.027 1.00 0.00 H new ATOM 0 HG3 GLU A 4 69.312 11.798 -5.032 1.00 0.00 H new ATOM 63 N LYS A 5 65.685 8.810 -6.799 1.00 0.00 N ATOM 64 CA LYS A 5 64.389 8.088 -6.647 1.00 0.00 C ATOM 65 C LYS A 5 64.645 6.714 -6.021 1.00 0.00 C ATOM 66 O LYS A 5 63.893 6.250 -5.187 1.00 0.00 O ATOM 67 CB LYS A 5 63.718 7.923 -8.018 1.00 0.00 C ATOM 68 CG LYS A 5 62.345 7.269 -7.832 1.00 0.00 C ATOM 69 CD LYS A 5 61.643 7.130 -9.185 1.00 0.00 C ATOM 70 CE LYS A 5 60.291 6.440 -8.981 1.00 0.00 C ATOM 71 NZ LYS A 5 59.529 6.437 -10.263 1.00 0.00 N ATOM 0 H LYS A 5 65.932 9.062 -7.756 1.00 0.00 H new ATOM 0 HA LYS A 5 63.727 8.663 -5.999 1.00 0.00 H new ATOM 0 HB2 LYS A 5 63.609 8.894 -8.502 1.00 0.00 H new ATOM 0 HB3 LYS A 5 64.341 7.310 -8.670 1.00 0.00 H new ATOM 0 HG2 LYS A 5 62.460 6.288 -7.370 1.00 0.00 H new ATOM 0 HG3 LYS A 5 61.735 7.870 -7.157 1.00 0.00 H new ATOM 0 HD2 LYS A 5 61.500 8.112 -9.637 1.00 0.00 H new ATOM 0 HD3 LYS A 5 62.261 6.551 -9.871 1.00 0.00 H new ATOM 0 HE2 LYS A 5 60.442 5.418 -8.634 1.00 0.00 H new ATOM 0 HE3 LYS A 5 59.721 6.957 -8.209 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 58.612 5.968 -10.121 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 59.372 7.416 -10.576 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 60.071 5.925 -10.988 1.00 0.00 H new ATOM 85 N ALA A 6 65.701 6.059 -6.419 1.00 0.00 N ATOM 86 CA ALA A 6 66.002 4.710 -5.857 1.00 0.00 C ATOM 87 C ALA A 6 66.189 4.816 -4.341 1.00 0.00 C ATOM 88 O ALA A 6 65.599 4.078 -3.584 1.00 0.00 O ATOM 89 CB ALA A 6 67.290 4.173 -6.483 1.00 0.00 C ATOM 0 H ALA A 6 66.370 6.399 -7.110 1.00 0.00 H new ATOM 0 HA ALA A 6 65.175 4.035 -6.078 1.00 0.00 H new ATOM 0 HB1 ALA A 6 67.511 3.187 -6.073 1.00 0.00 H new ATOM 0 HB2 ALA A 6 67.165 4.097 -7.563 1.00 0.00 H new ATOM 0 HB3 ALA A 6 68.113 4.851 -6.260 1.00 0.00 H new ATOM 95 N MET A 7 67.000 5.734 -3.894 1.00 0.00 N ATOM 96 CA MET A 7 67.219 5.885 -2.425 1.00 0.00 C ATOM 97 C MET A 7 65.885 6.205 -1.750 1.00 0.00 C ATOM 98 O MET A 7 65.524 5.622 -0.746 1.00 0.00 O ATOM 99 CB MET A 7 68.202 7.032 -2.189 1.00 0.00 C ATOM 100 CG MET A 7 68.641 7.058 -0.724 1.00 0.00 C ATOM 101 SD MET A 7 69.620 8.551 -0.424 1.00 0.00 S ATOM 102 CE MET A 7 70.970 8.181 -1.572 1.00 0.00 C ATOM 0 H MET A 7 67.521 6.386 -4.480 1.00 0.00 H new ATOM 0 HA MET A 7 67.623 4.963 -2.008 1.00 0.00 H new ATOM 0 HB2 MET A 7 69.072 6.914 -2.835 1.00 0.00 H new ATOM 0 HB3 MET A 7 67.735 7.981 -2.453 1.00 0.00 H new ATOM 0 HG2 MET A 7 67.769 7.043 -0.070 1.00 0.00 H new ATOM 0 HG3 MET A 7 69.229 6.170 -0.492 1.00 0.00 H new ATOM 0 HE1 MET A 7 71.877 8.687 -1.242 1.00 0.00 H new ATOM 0 HE2 MET A 7 71.143 7.105 -1.595 1.00 0.00 H new ATOM 0 HE3 MET A 7 70.704 8.527 -2.571 1.00 0.00 H new ATOM 112 N VAL A 8 65.162 7.146 -2.289 1.00 0.00 N ATOM 113 CA VAL A 8 63.859 7.536 -1.685 1.00 0.00 C ATOM 114 C VAL A 8 62.934 6.318 -1.645 1.00 0.00 C ATOM 115 O VAL A 8 62.190 6.131 -0.703 1.00 0.00 O ATOM 116 CB VAL A 8 63.226 8.654 -2.520 1.00 0.00 C ATOM 117 CG1 VAL A 8 61.801 8.927 -2.031 1.00 0.00 C ATOM 118 CG2 VAL A 8 64.066 9.930 -2.377 1.00 0.00 C ATOM 0 H VAL A 8 65.420 7.665 -3.128 1.00 0.00 H new ATOM 0 HA VAL A 8 64.015 7.897 -0.669 1.00 0.00 H new ATOM 0 HB VAL A 8 63.193 8.348 -3.566 1.00 0.00 H new ATOM 0 HG11 VAL A 8 61.357 9.723 -2.629 1.00 0.00 H new ATOM 0 HG12 VAL A 8 61.202 8.022 -2.131 1.00 0.00 H new ATOM 0 HG13 VAL A 8 61.827 9.231 -0.985 1.00 0.00 H new ATOM 0 HG21 VAL A 8 63.619 10.728 -2.970 1.00 0.00 H new ATOM 0 HG22 VAL A 8 64.097 10.230 -1.329 1.00 0.00 H new ATOM 0 HG23 VAL A 8 65.080 9.740 -2.730 1.00 0.00 H new ATOM 128 N ALA A 9 62.964 5.488 -2.648 1.00 0.00 N ATOM 129 CA ALA A 9 62.073 4.294 -2.636 1.00 0.00 C ATOM 130 C ALA A 9 62.343 3.468 -1.369 1.00 0.00 C ATOM 131 O ALA A 9 61.431 2.978 -0.736 1.00 0.00 O ATOM 132 CB ALA A 9 62.359 3.442 -3.877 1.00 0.00 C ATOM 0 H ALA A 9 63.561 5.582 -3.470 1.00 0.00 H new ATOM 0 HA ALA A 9 61.030 4.611 -2.643 1.00 0.00 H new ATOM 0 HB1 ALA A 9 61.710 2.566 -3.874 1.00 0.00 H new ATOM 0 HB2 ALA A 9 62.170 4.031 -4.774 1.00 0.00 H new ATOM 0 HB3 ALA A 9 63.401 3.122 -3.866 1.00 0.00 H new ATOM 138 N LEU A 10 63.583 3.297 -1.002 1.00 0.00 N ATOM 139 CA LEU A 10 63.908 2.488 0.218 1.00 0.00 C ATOM 140 C LEU A 10 63.258 3.109 1.468 1.00 0.00 C ATOM 141 O LEU A 10 62.650 2.417 2.262 1.00 0.00 O ATOM 142 CB LEU A 10 65.441 2.446 0.417 1.00 0.00 C ATOM 143 CG LEU A 10 66.097 1.314 -0.407 1.00 0.00 C ATOM 144 CD1 LEU A 10 65.901 -0.041 0.287 1.00 0.00 C ATOM 145 CD2 LEU A 10 65.506 1.255 -1.822 1.00 0.00 C ATOM 0 H LEU A 10 64.391 3.682 -1.492 1.00 0.00 H new ATOM 0 HA LEU A 10 63.520 1.479 0.078 1.00 0.00 H new ATOM 0 HB2 LEU A 10 65.872 3.404 0.125 1.00 0.00 H new ATOM 0 HB3 LEU A 10 65.666 2.304 1.474 1.00 0.00 H new ATOM 0 HG LEU A 10 67.163 1.529 -0.479 1.00 0.00 H new ATOM 0 HD11 LEU A 10 66.369 -0.825 -0.308 1.00 0.00 H new ATOM 0 HD12 LEU A 10 66.359 -0.013 1.276 1.00 0.00 H new ATOM 0 HD13 LEU A 10 64.835 -0.248 0.386 1.00 0.00 H new ATOM 0 HD21 LEU A 10 65.983 0.451 -2.382 1.00 0.00 H new ATOM 0 HD22 LEU A 10 64.434 1.068 -1.761 1.00 0.00 H new ATOM 0 HD23 LEU A 10 65.681 2.204 -2.329 1.00 0.00 H new ATOM 157 N ILE A 11 63.397 4.395 1.663 1.00 0.00 N ATOM 158 CA ILE A 11 62.806 5.032 2.879 1.00 0.00 C ATOM 159 C ILE A 11 61.293 4.828 2.896 1.00 0.00 C ATOM 160 O ILE A 11 60.722 4.398 3.881 1.00 0.00 O ATOM 161 CB ILE A 11 63.095 6.535 2.849 1.00 0.00 C ATOM 162 CG1 ILE A 11 64.606 6.764 2.834 1.00 0.00 C ATOM 163 CG2 ILE A 11 62.494 7.203 4.091 1.00 0.00 C ATOM 164 CD1 ILE A 11 64.893 8.241 2.554 1.00 0.00 C ATOM 0 H ILE A 11 63.892 5.030 1.036 1.00 0.00 H new ATOM 0 HA ILE A 11 63.245 4.576 3.767 1.00 0.00 H new ATOM 0 HB ILE A 11 62.650 6.968 1.953 1.00 0.00 H new ATOM 0 HG12 ILE A 11 65.039 6.473 3.791 1.00 0.00 H new ATOM 0 HG13 ILE A 11 65.072 6.140 2.071 1.00 0.00 H new ATOM 0 HG21 ILE A 11 62.702 8.273 4.065 1.00 0.00 H new ATOM 0 HG22 ILE A 11 61.416 7.043 4.104 1.00 0.00 H new ATOM 0 HG23 ILE A 11 62.936 6.769 4.988 1.00 0.00 H new ATOM 0 HD11 ILE A 11 65.970 8.407 2.543 1.00 0.00 H new ATOM 0 HD12 ILE A 11 64.474 8.516 1.586 1.00 0.00 H new ATOM 0 HD13 ILE A 11 64.440 8.854 3.333 1.00 0.00 H new ATOM 176 N ASP A 12 60.636 5.154 1.821 1.00 0.00 N ATOM 177 CA ASP A 12 59.156 5.005 1.785 1.00 0.00 C ATOM 178 C ASP A 12 58.795 3.541 2.017 1.00 0.00 C ATOM 179 O ASP A 12 57.853 3.223 2.718 1.00 0.00 O ATOM 180 CB ASP A 12 58.645 5.442 0.411 1.00 0.00 C ATOM 181 CG ASP A 12 57.124 5.303 0.360 1.00 0.00 C ATOM 182 OD1 ASP A 12 56.650 4.179 0.354 1.00 0.00 O ATOM 183 OD2 ASP A 12 56.459 6.326 0.328 1.00 0.00 O ATOM 0 H ASP A 12 61.058 5.517 0.966 1.00 0.00 H new ATOM 0 HA ASP A 12 58.701 5.621 2.560 1.00 0.00 H new ATOM 0 HB2 ASP A 12 58.932 6.475 0.217 1.00 0.00 H new ATOM 0 HB3 ASP A 12 59.102 4.833 -0.369 1.00 0.00 H new ATOM 188 N VAL A 13 59.538 2.649 1.436 1.00 0.00 N ATOM 189 CA VAL A 13 59.246 1.204 1.621 1.00 0.00 C ATOM 190 C VAL A 13 59.578 0.787 3.062 1.00 0.00 C ATOM 191 O VAL A 13 58.859 0.034 3.679 1.00 0.00 O ATOM 192 CB VAL A 13 60.092 0.396 0.630 1.00 0.00 C ATOM 193 CG1 VAL A 13 59.997 -1.094 0.953 1.00 0.00 C ATOM 194 CG2 VAL A 13 59.575 0.642 -0.790 1.00 0.00 C ATOM 0 H VAL A 13 60.338 2.857 0.839 1.00 0.00 H new ATOM 0 HA VAL A 13 58.189 1.013 1.438 1.00 0.00 H new ATOM 0 HB VAL A 13 61.133 0.711 0.706 1.00 0.00 H new ATOM 0 HG11 VAL A 13 60.601 -1.659 0.244 1.00 0.00 H new ATOM 0 HG12 VAL A 13 60.364 -1.271 1.964 1.00 0.00 H new ATOM 0 HG13 VAL A 13 58.958 -1.416 0.882 1.00 0.00 H new ATOM 0 HG21 VAL A 13 60.173 0.070 -1.499 1.00 0.00 H new ATOM 0 HG22 VAL A 13 58.533 0.328 -0.857 1.00 0.00 H new ATOM 0 HG23 VAL A 13 59.650 1.704 -1.026 1.00 0.00 H new ATOM 204 N PHE A 14 60.670 1.258 3.599 1.00 0.00 N ATOM 205 CA PHE A 14 61.049 0.864 4.990 1.00 0.00 C ATOM 206 C PHE A 14 59.967 1.273 5.993 1.00 0.00 C ATOM 207 O PHE A 14 59.488 0.468 6.767 1.00 0.00 O ATOM 208 CB PHE A 14 62.352 1.575 5.358 1.00 0.00 C ATOM 209 CG PHE A 14 62.753 1.236 6.775 1.00 0.00 C ATOM 210 CD1 PHE A 14 62.250 1.990 7.842 1.00 0.00 C ATOM 211 CD2 PHE A 14 63.637 0.179 7.023 1.00 0.00 C ATOM 212 CE1 PHE A 14 62.630 1.687 9.154 1.00 0.00 C ATOM 213 CE2 PHE A 14 64.019 -0.123 8.337 1.00 0.00 C ATOM 214 CZ PHE A 14 63.514 0.632 9.402 1.00 0.00 C ATOM 0 H PHE A 14 61.317 1.898 3.137 1.00 0.00 H new ATOM 0 HA PHE A 14 61.167 -0.219 5.028 1.00 0.00 H new ATOM 0 HB2 PHE A 14 63.143 1.279 4.669 1.00 0.00 H new ATOM 0 HB3 PHE A 14 62.227 2.653 5.256 1.00 0.00 H new ATOM 0 HD1 PHE A 14 61.568 2.806 7.652 1.00 0.00 H new ATOM 0 HD2 PHE A 14 64.025 -0.404 6.201 1.00 0.00 H new ATOM 0 HE1 PHE A 14 62.240 2.269 9.976 1.00 0.00 H new ATOM 0 HE2 PHE A 14 64.702 -0.937 8.528 1.00 0.00 H new ATOM 0 HZ PHE A 14 63.807 0.400 10.415 1.00 0.00 H new ATOM 224 N HIS A 15 59.621 2.526 6.027 1.00 0.00 N ATOM 225 CA HIS A 15 58.621 3.004 7.021 1.00 0.00 C ATOM 226 C HIS A 15 57.277 2.294 6.853 1.00 0.00 C ATOM 227 O HIS A 15 56.630 1.968 7.827 1.00 0.00 O ATOM 228 CB HIS A 15 58.427 4.516 6.858 1.00 0.00 C ATOM 229 CG HIS A 15 59.599 5.253 7.454 1.00 0.00 C ATOM 230 ND1 HIS A 15 59.495 5.975 8.635 1.00 0.00 N ATOM 231 CD2 HIS A 15 60.905 5.391 7.046 1.00 0.00 C ATOM 232 CE1 HIS A 15 60.703 6.509 8.894 1.00 0.00 C ATOM 233 NE2 HIS A 15 61.594 6.183 7.957 1.00 0.00 N ATOM 0 H HIS A 15 59.989 3.246 5.405 1.00 0.00 H new ATOM 0 HA HIS A 15 58.998 2.777 8.018 1.00 0.00 H new ATOM 0 HB2 HIS A 15 58.328 4.767 5.802 1.00 0.00 H new ATOM 0 HB3 HIS A 15 57.504 4.827 7.347 1.00 0.00 H new ATOM 0 HD2 HIS A 15 61.330 4.952 6.155 1.00 0.00 H new ATOM 0 HE1 HIS A 15 60.923 7.125 9.754 1.00 0.00 H new ATOM 0 HE2 HIS A 15 62.576 6.457 7.917 1.00 0.00 H new ATOM 242 N GLN A 16 56.818 2.054 5.655 1.00 0.00 N ATOM 243 CA GLN A 16 55.497 1.375 5.512 1.00 0.00 C ATOM 244 C GLN A 16 55.571 -0.058 6.054 1.00 0.00 C ATOM 245 O GLN A 16 54.658 -0.535 6.696 1.00 0.00 O ATOM 246 CB GLN A 16 55.094 1.346 4.033 1.00 0.00 C ATOM 247 CG GLN A 16 53.716 0.691 3.895 1.00 0.00 C ATOM 248 CD GLN A 16 53.239 0.780 2.447 1.00 0.00 C ATOM 249 OE1 GLN A 16 53.841 1.450 1.632 1.00 0.00 O ATOM 250 NE2 GLN A 16 52.157 0.142 2.095 1.00 0.00 N ATOM 0 H GLN A 16 57.290 2.293 4.783 1.00 0.00 H new ATOM 0 HA GLN A 16 54.752 1.928 6.084 1.00 0.00 H new ATOM 0 HB2 GLN A 16 55.069 2.359 3.631 1.00 0.00 H new ATOM 0 HB3 GLN A 16 55.832 0.791 3.454 1.00 0.00 H new ATOM 0 HG2 GLN A 16 53.767 -0.352 4.206 1.00 0.00 H new ATOM 0 HG3 GLN A 16 53.001 1.185 4.553 1.00 0.00 H new ATOM 0 HE21 GLN A 16 51.651 -0.421 2.779 1.00 0.00 H new ATOM 0 HE22 GLN A 16 51.817 0.206 1.136 1.00 0.00 H new ATOM 259 N TYR A 17 56.647 -0.745 5.796 1.00 0.00 N ATOM 260 CA TYR A 17 56.768 -2.147 6.305 1.00 0.00 C ATOM 261 C TYR A 17 56.967 -2.140 7.828 1.00 0.00 C ATOM 262 O TYR A 17 56.376 -2.926 8.542 1.00 0.00 O ATOM 263 CB TYR A 17 57.946 -2.862 5.607 1.00 0.00 C ATOM 264 CG TYR A 17 57.455 -3.563 4.354 1.00 0.00 C ATOM 265 CD1 TYR A 17 57.438 -2.891 3.125 1.00 0.00 C ATOM 266 CD2 TYR A 17 57.007 -4.886 4.430 1.00 0.00 C ATOM 267 CE1 TYR A 17 56.977 -3.542 1.976 1.00 0.00 C ATOM 268 CE2 TYR A 17 56.546 -5.537 3.280 1.00 0.00 C ATOM 269 CZ TYR A 17 56.531 -4.866 2.054 1.00 0.00 C ATOM 270 OH TYR A 17 56.075 -5.509 0.921 1.00 0.00 O ATOM 0 H TYR A 17 57.445 -0.404 5.259 1.00 0.00 H new ATOM 0 HA TYR A 17 55.850 -2.689 6.079 1.00 0.00 H new ATOM 0 HB2 TYR A 17 58.721 -2.139 5.350 1.00 0.00 H new ATOM 0 HB3 TYR A 17 58.397 -3.586 6.286 1.00 0.00 H new ATOM 0 HD1 TYR A 17 57.781 -1.869 3.065 1.00 0.00 H new ATOM 0 HD2 TYR A 17 57.017 -5.405 5.377 1.00 0.00 H new ATOM 0 HE1 TYR A 17 56.965 -3.023 1.029 1.00 0.00 H new ATOM 0 HE2 TYR A 17 56.202 -6.559 3.340 1.00 0.00 H new ATOM 0 HH TYR A 17 56.536 -5.151 0.134 1.00 0.00 H new ATOM 280 N SER A 18 57.783 -1.255 8.328 1.00 0.00 N ATOM 281 CA SER A 18 58.010 -1.196 9.799 1.00 0.00 C ATOM 282 C SER A 18 56.776 -0.606 10.487 1.00 0.00 C ATOM 283 O SER A 18 56.636 -0.668 11.693 1.00 0.00 O ATOM 284 CB SER A 18 59.225 -0.316 10.098 1.00 0.00 C ATOM 285 OG SER A 18 60.373 -0.868 9.469 1.00 0.00 O ATOM 0 H SER A 18 58.303 -0.569 7.781 1.00 0.00 H new ATOM 0 HA SER A 18 58.190 -2.204 10.174 1.00 0.00 H new ATOM 0 HB2 SER A 18 59.051 0.698 9.737 1.00 0.00 H new ATOM 0 HB3 SER A 18 59.383 -0.249 11.174 1.00 0.00 H new ATOM 0 HG SER A 18 61.069 -0.182 9.398 1.00 0.00 H new ATOM 291 N GLY A 19 55.882 -0.021 9.731 1.00 0.00 N ATOM 292 CA GLY A 19 54.658 0.588 10.336 1.00 0.00 C ATOM 293 C GLY A 19 53.524 -0.438 10.420 1.00 0.00 C ATOM 294 O GLY A 19 52.385 -0.085 10.651 1.00 0.00 O ATOM 0 H GLY A 19 55.947 0.061 8.716 1.00 0.00 H new ATOM 0 HA2 GLY A 19 54.888 0.964 11.333 1.00 0.00 H new ATOM 0 HA3 GLY A 19 54.338 1.442 9.739 1.00 0.00 H new ATOM 298 N ARG A 20 53.811 -1.699 10.247 1.00 0.00 N ATOM 299 CA ARG A 20 52.729 -2.723 10.333 1.00 0.00 C ATOM 300 C ARG A 20 52.248 -2.820 11.782 1.00 0.00 C ATOM 301 O ARG A 20 51.071 -2.956 12.049 1.00 0.00 O ATOM 302 CB ARG A 20 53.269 -4.089 9.887 1.00 0.00 C ATOM 303 CG ARG A 20 53.607 -4.074 8.387 1.00 0.00 C ATOM 304 CD ARG A 20 52.353 -4.355 7.546 1.00 0.00 C ATOM 305 NE ARG A 20 52.068 -5.817 7.565 1.00 0.00 N ATOM 306 CZ ARG A 20 51.104 -6.304 6.834 1.00 0.00 C ATOM 307 NH1 ARG A 20 50.400 -5.514 6.070 1.00 0.00 N ATOM 308 NH2 ARG A 20 50.847 -7.582 6.866 1.00 0.00 N ATOM 0 H ARG A 20 54.743 -2.064 10.051 1.00 0.00 H new ATOM 0 HA ARG A 20 51.903 -2.434 9.684 1.00 0.00 H new ATOM 0 HB2 ARG A 20 54.159 -4.340 10.463 1.00 0.00 H new ATOM 0 HB3 ARG A 20 52.529 -4.863 10.091 1.00 0.00 H new ATOM 0 HG2 ARG A 20 54.025 -3.106 8.113 1.00 0.00 H new ATOM 0 HG3 ARG A 20 54.370 -4.823 8.173 1.00 0.00 H new ATOM 0 HD2 ARG A 20 51.502 -3.801 7.944 1.00 0.00 H new ATOM 0 HD3 ARG A 20 52.504 -4.015 6.521 1.00 0.00 H new ATOM 0 HE ARG A 20 52.627 -6.438 8.150 1.00 0.00 H new ATOM 0 HH11 ARG A 20 50.604 -4.515 6.044 1.00 0.00 H new ATOM 0 HH12 ARG A 20 49.646 -5.896 5.499 1.00 0.00 H new ATOM 0 HH21 ARG A 20 51.399 -8.199 7.462 1.00 0.00 H new ATOM 0 HH22 ARG A 20 50.094 -7.965 6.295 1.00 0.00 H new ATOM 322 N GLU A 21 53.158 -2.755 12.717 1.00 0.00 N ATOM 323 CA GLU A 21 52.777 -2.847 14.157 1.00 0.00 C ATOM 324 C GLU A 21 52.651 -1.440 14.748 1.00 0.00 C ATOM 325 O GLU A 21 52.377 -1.269 15.920 1.00 0.00 O ATOM 326 CB GLU A 21 53.851 -3.627 14.917 1.00 0.00 C ATOM 327 CG GLU A 21 53.804 -5.098 14.503 1.00 0.00 C ATOM 328 CD GLU A 21 54.858 -5.882 15.287 1.00 0.00 C ATOM 329 OE1 GLU A 21 55.496 -5.289 16.142 1.00 0.00 O ATOM 330 OE2 GLU A 21 55.006 -7.063 15.020 1.00 0.00 O ATOM 0 H GLU A 21 54.157 -2.641 12.544 1.00 0.00 H new ATOM 0 HA GLU A 21 51.820 -3.361 14.247 1.00 0.00 H new ATOM 0 HB2 GLU A 21 54.836 -3.210 14.706 1.00 0.00 H new ATOM 0 HB3 GLU A 21 53.690 -3.535 15.991 1.00 0.00 H new ATOM 0 HG2 GLU A 21 52.813 -5.509 14.694 1.00 0.00 H new ATOM 0 HG3 GLU A 21 53.987 -5.192 13.433 1.00 0.00 H new ATOM 337 N GLY A 22 52.852 -0.429 13.946 1.00 0.00 N ATOM 338 CA GLY A 22 52.742 0.971 14.456 1.00 0.00 C ATOM 339 C GLY A 22 54.103 1.435 14.972 1.00 0.00 C ATOM 340 O GLY A 22 54.299 2.599 15.264 1.00 0.00 O ATOM 0 H GLY A 22 53.088 -0.511 12.957 1.00 0.00 H new ATOM 0 HA2 GLY A 22 52.398 1.633 13.661 1.00 0.00 H new ATOM 0 HA3 GLY A 22 52.002 1.021 15.255 1.00 0.00 H new ATOM 344 N ASP A 23 55.050 0.536 15.083 1.00 0.00 N ATOM 345 CA ASP A 23 56.407 0.924 15.580 1.00 0.00 C ATOM 346 C ASP A 23 57.356 1.097 14.389 1.00 0.00 C ATOM 347 O ASP A 23 57.784 0.140 13.775 1.00 0.00 O ATOM 348 CB ASP A 23 56.938 -0.177 16.501 1.00 0.00 C ATOM 349 CG ASP A 23 57.051 -1.487 15.719 1.00 0.00 C ATOM 350 OD1 ASP A 23 56.452 -1.576 14.661 1.00 0.00 O ATOM 351 OD2 ASP A 23 57.735 -2.380 16.192 1.00 0.00 O ATOM 0 H ASP A 23 54.942 -0.451 14.851 1.00 0.00 H new ATOM 0 HA ASP A 23 56.343 1.863 16.130 1.00 0.00 H new ATOM 0 HB2 ASP A 23 57.912 0.106 16.899 1.00 0.00 H new ATOM 0 HB3 ASP A 23 56.271 -0.306 17.353 1.00 0.00 H new ATOM 356 N LYS A 24 57.685 2.316 14.055 1.00 0.00 N ATOM 357 CA LYS A 24 58.605 2.566 12.903 1.00 0.00 C ATOM 358 C LYS A 24 60.048 2.667 13.403 1.00 0.00 C ATOM 359 O LYS A 24 60.297 3.142 14.491 1.00 0.00 O ATOM 360 CB LYS A 24 58.224 3.881 12.219 1.00 0.00 C ATOM 361 CG LYS A 24 56.843 3.750 11.578 1.00 0.00 C ATOM 362 CD LYS A 24 56.472 5.069 10.897 1.00 0.00 C ATOM 363 CE LYS A 24 55.090 4.944 10.253 1.00 0.00 C ATOM 364 NZ LYS A 24 54.067 4.729 11.314 1.00 0.00 N ATOM 0 H LYS A 24 57.355 3.155 14.532 1.00 0.00 H new ATOM 0 HA LYS A 24 58.519 1.741 12.196 1.00 0.00 H new ATOM 0 HB2 LYS A 24 58.222 4.693 12.947 1.00 0.00 H new ATOM 0 HB3 LYS A 24 58.964 4.135 11.460 1.00 0.00 H new ATOM 0 HG2 LYS A 24 56.843 2.939 10.849 1.00 0.00 H new ATOM 0 HG3 LYS A 24 56.101 3.498 12.335 1.00 0.00 H new ATOM 0 HD2 LYS A 24 56.472 5.879 11.626 1.00 0.00 H new ATOM 0 HD3 LYS A 24 57.215 5.321 10.141 1.00 0.00 H new ATOM 0 HE2 LYS A 24 54.858 5.846 9.686 1.00 0.00 H new ATOM 0 HE3 LYS A 24 55.079 4.113 9.548 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 53.125 4.961 10.940 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 54.084 3.734 11.616 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 54.277 5.341 12.128 1.00 0.00 H new ATOM 378 N HIS A 25 60.996 2.222 12.614 1.00 0.00 N ATOM 379 CA HIS A 25 62.432 2.283 13.020 1.00 0.00 C ATOM 380 C HIS A 25 62.726 1.206 14.068 1.00 0.00 C ATOM 381 O HIS A 25 63.575 1.366 14.921 1.00 0.00 O ATOM 382 CB HIS A 25 62.739 3.678 13.582 1.00 0.00 C ATOM 383 CG HIS A 25 64.199 4.006 13.399 1.00 0.00 C ATOM 384 ND1 HIS A 25 65.136 3.783 14.397 1.00 0.00 N ATOM 385 CD2 HIS A 25 64.893 4.549 12.346 1.00 0.00 C ATOM 386 CE1 HIS A 25 66.331 4.187 13.931 1.00 0.00 C ATOM 387 NE2 HIS A 25 66.236 4.661 12.686 1.00 0.00 N ATOM 0 H HIS A 25 60.831 1.814 11.694 1.00 0.00 H new ATOM 0 HA HIS A 25 63.066 2.100 12.153 1.00 0.00 H new ATOM 0 HB2 HIS A 25 62.126 4.424 13.077 1.00 0.00 H new ATOM 0 HB3 HIS A 25 62.481 3.716 14.640 1.00 0.00 H new ATOM 0 HD2 HIS A 25 64.462 4.843 11.400 1.00 0.00 H new ATOM 0 HE1 HIS A 25 67.252 4.135 14.493 1.00 0.00 H new ATOM 0 HE2 HIS A 25 66.991 5.028 12.106 1.00 0.00 H new ATOM 396 N LYS A 26 62.035 0.106 13.990 1.00 0.00 N ATOM 397 CA LYS A 26 62.269 -1.002 14.953 1.00 0.00 C ATOM 398 C LYS A 26 61.739 -2.290 14.324 1.00 0.00 C ATOM 399 O LYS A 26 60.547 -2.526 14.293 1.00 0.00 O ATOM 400 CB LYS A 26 61.534 -0.695 16.258 1.00 0.00 C ATOM 401 CG LYS A 26 61.943 -1.700 17.332 1.00 0.00 C ATOM 402 CD LYS A 26 61.206 -1.378 18.631 1.00 0.00 C ATOM 403 CE LYS A 26 61.665 -2.341 19.724 1.00 0.00 C ATOM 404 NZ LYS A 26 61.297 -3.733 19.341 1.00 0.00 N ATOM 0 H LYS A 26 61.312 -0.074 13.294 1.00 0.00 H new ATOM 0 HA LYS A 26 63.330 -1.113 15.175 1.00 0.00 H new ATOM 0 HB2 LYS A 26 61.767 0.318 16.587 1.00 0.00 H new ATOM 0 HB3 LYS A 26 60.457 -0.738 16.098 1.00 0.00 H new ATOM 0 HG2 LYS A 26 61.706 -2.713 17.007 1.00 0.00 H new ATOM 0 HG3 LYS A 26 63.020 -1.660 17.492 1.00 0.00 H new ATOM 0 HD2 LYS A 26 61.405 -0.349 18.930 1.00 0.00 H new ATOM 0 HD3 LYS A 26 60.130 -1.464 18.483 1.00 0.00 H new ATOM 0 HE2 LYS A 26 62.743 -2.263 19.864 1.00 0.00 H new ATOM 0 HE3 LYS A 26 61.201 -2.078 20.674 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 62.090 -4.372 19.551 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 60.460 -4.032 19.881 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 61.084 -3.768 18.324 1.00 0.00 H new ATOM 418 N LEU A 27 62.610 -3.110 13.785 1.00 0.00 N ATOM 419 CA LEU A 27 62.149 -4.369 13.113 1.00 0.00 C ATOM 420 C LEU A 27 62.325 -5.584 14.030 1.00 0.00 C ATOM 421 O LEU A 27 63.417 -5.914 14.449 1.00 0.00 O ATOM 422 CB LEU A 27 62.971 -4.576 11.833 1.00 0.00 C ATOM 423 CG LEU A 27 62.418 -3.715 10.695 1.00 0.00 C ATOM 424 CD1 LEU A 27 62.621 -2.232 11.022 1.00 0.00 C ATOM 425 CD2 LEU A 27 63.169 -4.058 9.408 1.00 0.00 C ATOM 0 H LEU A 27 63.619 -2.963 13.781 1.00 0.00 H new ATOM 0 HA LEU A 27 61.089 -4.271 12.878 1.00 0.00 H new ATOM 0 HB2 LEU A 27 64.014 -4.318 12.018 1.00 0.00 H new ATOM 0 HB3 LEU A 27 62.949 -5.627 11.545 1.00 0.00 H new ATOM 0 HG LEU A 27 61.353 -3.911 10.570 1.00 0.00 H new ATOM 0 HD11 LEU A 27 62.226 -1.623 10.209 1.00 0.00 H new ATOM 0 HD12 LEU A 27 62.097 -1.988 11.946 1.00 0.00 H new ATOM 0 HD13 LEU A 27 63.685 -2.029 11.144 1.00 0.00 H new ATOM 0 HD21 LEU A 27 62.784 -3.451 8.589 1.00 0.00 H new ATOM 0 HD22 LEU A 27 64.232 -3.855 9.542 1.00 0.00 H new ATOM 0 HD23 LEU A 27 63.028 -5.113 9.175 1.00 0.00 H new ATOM 437 N LYS A 28 61.245 -6.266 14.316 1.00 0.00 N ATOM 438 CA LYS A 28 61.316 -7.484 15.176 1.00 0.00 C ATOM 439 C LYS A 28 61.487 -8.711 14.278 1.00 0.00 C ATOM 440 O LYS A 28 61.278 -8.648 13.084 1.00 0.00 O ATOM 441 CB LYS A 28 60.027 -7.625 15.988 1.00 0.00 C ATOM 442 CG LYS A 28 59.970 -6.526 17.049 1.00 0.00 C ATOM 443 CD LYS A 28 58.683 -6.669 17.862 1.00 0.00 C ATOM 444 CE LYS A 28 58.627 -5.570 18.924 1.00 0.00 C ATOM 445 NZ LYS A 28 58.609 -4.235 18.259 1.00 0.00 N ATOM 0 H LYS A 28 60.309 -6.028 13.987 1.00 0.00 H new ATOM 0 HA LYS A 28 62.159 -7.399 15.861 1.00 0.00 H new ATOM 0 HB2 LYS A 28 59.161 -7.555 15.330 1.00 0.00 H new ATOM 0 HB3 LYS A 28 59.989 -8.606 16.462 1.00 0.00 H new ATOM 0 HG2 LYS A 28 60.837 -6.594 17.706 1.00 0.00 H new ATOM 0 HG3 LYS A 28 60.006 -5.545 16.575 1.00 0.00 H new ATOM 0 HD2 LYS A 28 57.816 -6.600 17.205 1.00 0.00 H new ATOM 0 HD3 LYS A 28 58.647 -7.650 18.336 1.00 0.00 H new ATOM 0 HE2 LYS A 28 57.738 -5.692 19.542 1.00 0.00 H new ATOM 0 HE3 LYS A 28 59.489 -5.646 19.587 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 58.537 -3.489 18.980 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 59.486 -4.107 17.714 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 57.792 -4.177 17.618 1.00 0.00 H new ATOM 459 N LYS A 29 61.874 -9.823 14.836 1.00 0.00 N ATOM 460 CA LYS A 29 62.067 -11.045 14.004 1.00 0.00 C ATOM 461 C LYS A 29 60.771 -11.383 13.260 1.00 0.00 C ATOM 462 O LYS A 29 60.792 -11.788 12.114 1.00 0.00 O ATOM 463 CB LYS A 29 62.470 -12.213 14.910 1.00 0.00 C ATOM 464 CG LYS A 29 61.336 -12.524 15.891 1.00 0.00 C ATOM 465 CD LYS A 29 61.819 -13.561 16.906 1.00 0.00 C ATOM 466 CE LYS A 29 60.645 -14.026 17.770 1.00 0.00 C ATOM 467 NZ LYS A 29 60.192 -12.905 18.643 1.00 0.00 N ATOM 0 H LYS A 29 62.065 -9.940 15.831 1.00 0.00 H new ATOM 0 HA LYS A 29 62.853 -10.865 13.271 1.00 0.00 H new ATOM 0 HB2 LYS A 29 62.693 -13.093 14.307 1.00 0.00 H new ATOM 0 HB3 LYS A 29 63.379 -11.964 15.458 1.00 0.00 H new ATOM 0 HG2 LYS A 29 61.023 -11.614 16.404 1.00 0.00 H new ATOM 0 HG3 LYS A 29 60.467 -12.902 15.353 1.00 0.00 H new ATOM 0 HD2 LYS A 29 62.261 -14.412 16.388 1.00 0.00 H new ATOM 0 HD3 LYS A 29 62.598 -13.132 17.536 1.00 0.00 H new ATOM 0 HE2 LYS A 29 59.824 -14.361 17.136 1.00 0.00 H new ATOM 0 HE3 LYS A 29 60.945 -14.878 18.381 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 59.501 -13.261 19.334 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 61.009 -12.504 19.146 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 59.749 -12.167 18.059 1.00 0.00 H new ATOM 481 N SER A 30 59.644 -11.213 13.892 1.00 0.00 N ATOM 482 CA SER A 30 58.354 -11.515 13.205 1.00 0.00 C ATOM 483 C SER A 30 58.219 -10.616 11.971 1.00 0.00 C ATOM 484 O SER A 30 57.689 -11.009 10.951 1.00 0.00 O ATOM 485 CB SER A 30 57.192 -11.252 14.164 1.00 0.00 C ATOM 486 OG SER A 30 57.101 -9.857 14.421 1.00 0.00 O ATOM 0 H SER A 30 59.558 -10.879 14.852 1.00 0.00 H new ATOM 0 HA SER A 30 58.336 -12.561 12.898 1.00 0.00 H new ATOM 0 HB2 SER A 30 56.260 -11.615 13.732 1.00 0.00 H new ATOM 0 HB3 SER A 30 57.345 -11.796 15.096 1.00 0.00 H new ATOM 0 HG SER A 30 56.356 -9.685 15.034 1.00 0.00 H new ATOM 492 N GLU A 31 58.717 -9.415 12.062 1.00 0.00 N ATOM 493 CA GLU A 31 58.647 -8.484 10.900 1.00 0.00 C ATOM 494 C GLU A 31 59.638 -8.946 9.824 1.00 0.00 C ATOM 495 O GLU A 31 59.423 -8.760 8.643 1.00 0.00 O ATOM 496 CB GLU A 31 58.995 -7.061 11.340 1.00 0.00 C ATOM 497 CG GLU A 31 57.880 -6.516 12.237 1.00 0.00 C ATOM 498 CD GLU A 31 58.180 -5.060 12.595 1.00 0.00 C ATOM 499 OE1 GLU A 31 58.985 -4.457 11.906 1.00 0.00 O ATOM 500 OE2 GLU A 31 57.602 -4.576 13.551 1.00 0.00 O ATOM 0 H GLU A 31 59.171 -9.036 12.893 1.00 0.00 H new ATOM 0 HA GLU A 31 57.634 -8.489 10.497 1.00 0.00 H new ATOM 0 HB2 GLU A 31 59.943 -7.057 11.878 1.00 0.00 H new ATOM 0 HB3 GLU A 31 59.120 -6.420 10.468 1.00 0.00 H new ATOM 0 HG2 GLU A 31 56.920 -6.586 11.725 1.00 0.00 H new ATOM 0 HG3 GLU A 31 57.802 -7.116 13.144 1.00 0.00 H new ATOM 507 N LEU A 32 60.716 -9.558 10.231 1.00 0.00 N ATOM 508 CA LEU A 32 61.723 -10.046 9.242 1.00 0.00 C ATOM 509 C LEU A 32 61.107 -11.168 8.397 1.00 0.00 C ATOM 510 O LEU A 32 61.313 -11.243 7.202 1.00 0.00 O ATOM 511 CB LEU A 32 62.964 -10.592 9.990 1.00 0.00 C ATOM 512 CG LEU A 32 64.050 -9.508 10.175 1.00 0.00 C ATOM 513 CD1 LEU A 32 64.866 -9.347 8.884 1.00 0.00 C ATOM 514 CD2 LEU A 32 63.424 -8.154 10.566 1.00 0.00 C ATOM 0 H LEU A 32 60.945 -9.742 11.208 1.00 0.00 H new ATOM 0 HA LEU A 32 62.022 -9.221 8.595 1.00 0.00 H new ATOM 0 HB2 LEU A 32 62.661 -10.972 10.966 1.00 0.00 H new ATOM 0 HB3 LEU A 32 63.381 -11.433 9.435 1.00 0.00 H new ATOM 0 HG LEU A 32 64.709 -9.829 10.982 1.00 0.00 H new ATOM 0 HD11 LEU A 32 65.627 -8.580 9.028 1.00 0.00 H new ATOM 0 HD12 LEU A 32 65.346 -10.294 8.637 1.00 0.00 H new ATOM 0 HD13 LEU A 32 64.204 -9.052 8.070 1.00 0.00 H new ATOM 0 HD21 LEU A 32 64.212 -7.411 10.689 1.00 0.00 H new ATOM 0 HD22 LEU A 32 62.739 -7.830 9.782 1.00 0.00 H new ATOM 0 HD23 LEU A 32 62.878 -8.263 11.503 1.00 0.00 H new ATOM 526 N LYS A 33 60.378 -12.049 9.014 1.00 0.00 N ATOM 527 CA LYS A 33 59.775 -13.181 8.251 1.00 0.00 C ATOM 528 C LYS A 33 58.765 -12.647 7.217 1.00 0.00 C ATOM 529 O LYS A 33 58.751 -13.067 6.077 1.00 0.00 O ATOM 530 CB LYS A 33 59.073 -14.137 9.233 1.00 0.00 C ATOM 531 CG LYS A 33 59.051 -15.567 8.666 1.00 0.00 C ATOM 532 CD LYS A 33 58.244 -15.614 7.358 1.00 0.00 C ATOM 533 CE LYS A 33 57.738 -17.038 7.113 1.00 0.00 C ATOM 534 NZ LYS A 33 58.897 -17.975 7.057 1.00 0.00 N ATOM 0 H LYS A 33 60.171 -12.038 10.013 1.00 0.00 H new ATOM 0 HA LYS A 33 60.561 -13.719 7.720 1.00 0.00 H new ATOM 0 HB2 LYS A 33 59.590 -14.127 10.192 1.00 0.00 H new ATOM 0 HB3 LYS A 33 58.054 -13.796 9.417 1.00 0.00 H new ATOM 0 HG2 LYS A 33 60.070 -15.908 8.484 1.00 0.00 H new ATOM 0 HG3 LYS A 33 58.612 -16.247 9.396 1.00 0.00 H new ATOM 0 HD2 LYS A 33 57.402 -14.924 7.414 1.00 0.00 H new ATOM 0 HD3 LYS A 33 58.867 -15.291 6.524 1.00 0.00 H new ATOM 0 HE2 LYS A 33 57.055 -17.335 7.909 1.00 0.00 H new ATOM 0 HE3 LYS A 33 57.177 -17.080 6.179 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 58.651 -18.796 6.468 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 59.718 -17.487 6.646 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 59.131 -18.296 8.018 1.00 0.00 H new ATOM 548 N GLU A 34 57.923 -11.726 7.600 1.00 0.00 N ATOM 549 CA GLU A 34 56.929 -11.187 6.626 1.00 0.00 C ATOM 550 C GLU A 34 57.645 -10.371 5.548 1.00 0.00 C ATOM 551 O GLU A 34 57.330 -10.451 4.375 1.00 0.00 O ATOM 552 CB GLU A 34 55.932 -10.289 7.363 1.00 0.00 C ATOM 553 CG GLU A 34 55.036 -11.146 8.258 1.00 0.00 C ATOM 554 CD GLU A 34 54.050 -10.243 9.002 1.00 0.00 C ATOM 555 OE1 GLU A 34 54.220 -9.036 8.935 1.00 0.00 O ATOM 556 OE2 GLU A 34 53.144 -10.772 9.624 1.00 0.00 O ATOM 0 H GLU A 34 57.879 -11.326 8.537 1.00 0.00 H new ATOM 0 HA GLU A 34 56.401 -12.017 6.156 1.00 0.00 H new ATOM 0 HB2 GLU A 34 56.465 -9.552 7.964 1.00 0.00 H new ATOM 0 HB3 GLU A 34 55.325 -9.736 6.646 1.00 0.00 H new ATOM 0 HG2 GLU A 34 54.495 -11.877 7.657 1.00 0.00 H new ATOM 0 HG3 GLU A 34 55.643 -11.705 8.970 1.00 0.00 H new ATOM 563 N LEU A 35 58.598 -9.577 5.943 1.00 0.00 N ATOM 564 CA LEU A 35 59.336 -8.732 4.963 1.00 0.00 C ATOM 565 C LEU A 35 60.028 -9.623 3.923 1.00 0.00 C ATOM 566 O LEU A 35 59.932 -9.396 2.733 1.00 0.00 O ATOM 567 CB LEU A 35 60.387 -7.906 5.722 1.00 0.00 C ATOM 568 CG LEU A 35 61.180 -7.011 4.753 1.00 0.00 C ATOM 569 CD1 LEU A 35 60.253 -5.958 4.124 1.00 0.00 C ATOM 570 CD2 LEU A 35 62.304 -6.313 5.528 1.00 0.00 C ATOM 0 H LEU A 35 58.901 -9.476 6.912 1.00 0.00 H new ATOM 0 HA LEU A 35 58.641 -8.068 4.448 1.00 0.00 H new ATOM 0 HB2 LEU A 35 59.897 -7.290 6.476 1.00 0.00 H new ATOM 0 HB3 LEU A 35 61.069 -8.573 6.250 1.00 0.00 H new ATOM 0 HG LEU A 35 61.603 -7.624 3.957 1.00 0.00 H new ATOM 0 HD11 LEU A 35 60.826 -5.331 3.441 1.00 0.00 H new ATOM 0 HD12 LEU A 35 59.454 -6.457 3.576 1.00 0.00 H new ATOM 0 HD13 LEU A 35 59.821 -5.338 4.909 1.00 0.00 H new ATOM 0 HD21 LEU A 35 62.872 -5.676 4.850 1.00 0.00 H new ATOM 0 HD22 LEU A 35 61.874 -5.704 6.323 1.00 0.00 H new ATOM 0 HD23 LEU A 35 62.966 -7.062 5.962 1.00 0.00 H new ATOM 582 N ILE A 36 60.737 -10.626 4.365 1.00 0.00 N ATOM 583 CA ILE A 36 61.452 -11.518 3.406 1.00 0.00 C ATOM 584 C ILE A 36 60.453 -12.189 2.452 1.00 0.00 C ATOM 585 O ILE A 36 60.660 -12.222 1.253 1.00 0.00 O ATOM 586 CB ILE A 36 62.213 -12.587 4.196 1.00 0.00 C ATOM 587 CG1 ILE A 36 63.334 -11.919 4.998 1.00 0.00 C ATOM 588 CG2 ILE A 36 62.824 -13.605 3.233 1.00 0.00 C ATOM 589 CD1 ILE A 36 63.891 -12.911 6.022 1.00 0.00 C ATOM 0 H ILE A 36 60.852 -10.867 5.349 1.00 0.00 H new ATOM 0 HA ILE A 36 62.150 -10.926 2.814 1.00 0.00 H new ATOM 0 HB ILE A 36 61.524 -13.095 4.871 1.00 0.00 H new ATOM 0 HG12 ILE A 36 64.127 -11.588 4.328 1.00 0.00 H new ATOM 0 HG13 ILE A 36 62.954 -11.032 5.505 1.00 0.00 H new ATOM 0 HG21 ILE A 36 63.364 -14.363 3.800 1.00 0.00 H new ATOM 0 HG22 ILE A 36 62.031 -14.080 2.655 1.00 0.00 H new ATOM 0 HG23 ILE A 36 63.513 -13.098 2.557 1.00 0.00 H new ATOM 0 HD11 ILE A 36 64.689 -12.435 6.593 1.00 0.00 H new ATOM 0 HD12 ILE A 36 63.095 -13.220 6.699 1.00 0.00 H new ATOM 0 HD13 ILE A 36 64.287 -13.785 5.504 1.00 0.00 H new ATOM 601 N ASN A 37 59.390 -12.739 2.966 1.00 0.00 N ATOM 602 CA ASN A 37 58.399 -13.423 2.081 1.00 0.00 C ATOM 603 C ASN A 37 57.816 -12.450 1.050 1.00 0.00 C ATOM 604 O ASN A 37 57.631 -12.797 -0.100 1.00 0.00 O ATOM 605 CB ASN A 37 57.259 -13.986 2.934 1.00 0.00 C ATOM 606 CG ASN A 37 56.245 -14.688 2.029 1.00 0.00 C ATOM 607 OD1 ASN A 37 56.556 -15.041 0.909 1.00 0.00 O ATOM 608 ND2 ASN A 37 55.035 -14.903 2.469 1.00 0.00 N ATOM 0 H ASN A 37 59.162 -12.746 3.960 1.00 0.00 H new ATOM 0 HA ASN A 37 58.911 -14.227 1.552 1.00 0.00 H new ATOM 0 HB2 ASN A 37 57.653 -14.687 3.670 1.00 0.00 H new ATOM 0 HB3 ASN A 37 56.773 -13.182 3.488 1.00 0.00 H new ATOM 0 HD21 ASN A 37 54.350 -15.368 1.872 1.00 0.00 H new ATOM 0 HD22 ASN A 37 54.774 -14.607 3.409 1.00 0.00 H new ATOM 615 N ASN A 38 57.511 -11.244 1.446 1.00 0.00 N ATOM 616 CA ASN A 38 56.923 -10.268 0.474 1.00 0.00 C ATOM 617 C ASN A 38 57.984 -9.780 -0.521 1.00 0.00 C ATOM 618 O ASN A 38 57.722 -9.609 -1.695 1.00 0.00 O ATOM 619 CB ASN A 38 56.388 -9.052 1.233 1.00 0.00 C ATOM 620 CG ASN A 38 55.168 -9.448 2.067 1.00 0.00 C ATOM 621 OD1 ASN A 38 55.106 -9.157 3.244 1.00 0.00 O ATOM 622 ND2 ASN A 38 54.187 -10.096 1.503 1.00 0.00 N ATOM 0 H ASN A 38 57.641 -10.890 2.394 1.00 0.00 H new ATOM 0 HA ASN A 38 56.122 -10.771 -0.068 1.00 0.00 H new ATOM 0 HB2 ASN A 38 57.165 -8.647 1.881 1.00 0.00 H new ATOM 0 HB3 ASN A 38 56.117 -8.265 0.530 1.00 0.00 H new ATOM 0 HD21 ASN A 38 53.368 -10.358 2.051 1.00 0.00 H new ATOM 0 HD22 ASN A 38 54.239 -10.340 0.514 1.00 0.00 H new ATOM 629 N GLU A 39 59.167 -9.510 -0.041 1.00 0.00 N ATOM 630 CA GLU A 39 60.240 -8.980 -0.937 1.00 0.00 C ATOM 631 C GLU A 39 61.020 -10.113 -1.606 1.00 0.00 C ATOM 632 O GLU A 39 60.862 -10.371 -2.781 1.00 0.00 O ATOM 633 CB GLU A 39 61.202 -8.124 -0.112 1.00 0.00 C ATOM 634 CG GLU A 39 60.482 -6.856 0.350 1.00 0.00 C ATOM 635 CD GLU A 39 61.441 -5.995 1.173 1.00 0.00 C ATOM 636 OE1 GLU A 39 62.512 -6.480 1.498 1.00 0.00 O ATOM 637 OE2 GLU A 39 61.090 -4.863 1.461 1.00 0.00 O ATOM 0 H GLU A 39 59.440 -9.633 0.934 1.00 0.00 H new ATOM 0 HA GLU A 39 59.770 -8.383 -1.719 1.00 0.00 H new ATOM 0 HB2 GLU A 39 61.560 -8.687 0.750 1.00 0.00 H new ATOM 0 HB3 GLU A 39 62.077 -7.863 -0.708 1.00 0.00 H new ATOM 0 HG2 GLU A 39 60.122 -6.295 -0.512 1.00 0.00 H new ATOM 0 HG3 GLU A 39 59.609 -7.118 0.947 1.00 0.00 H new ATOM 644 N LEU A 40 61.878 -10.775 -0.882 1.00 0.00 N ATOM 645 CA LEU A 40 62.685 -11.867 -1.504 1.00 0.00 C ATOM 646 C LEU A 40 61.877 -13.166 -1.565 1.00 0.00 C ATOM 647 O LEU A 40 61.458 -13.701 -0.559 1.00 0.00 O ATOM 648 CB LEU A 40 63.955 -12.098 -0.675 1.00 0.00 C ATOM 649 CG LEU A 40 65.010 -11.049 -1.033 1.00 0.00 C ATOM 650 CD1 LEU A 40 64.503 -9.647 -0.664 1.00 0.00 C ATOM 651 CD2 LEU A 40 66.296 -11.357 -0.259 1.00 0.00 C ATOM 0 H LEU A 40 62.057 -10.610 0.109 1.00 0.00 H new ATOM 0 HA LEU A 40 62.951 -11.571 -2.519 1.00 0.00 H new ATOM 0 HB2 LEU A 40 63.721 -12.042 0.388 1.00 0.00 H new ATOM 0 HB3 LEU A 40 64.346 -13.098 -0.863 1.00 0.00 H new ATOM 0 HG LEU A 40 65.207 -11.078 -2.105 1.00 0.00 H new ATOM 0 HD11 LEU A 40 65.260 -8.907 -0.922 1.00 0.00 H new ATOM 0 HD12 LEU A 40 63.586 -9.435 -1.214 1.00 0.00 H new ATOM 0 HD13 LEU A 40 64.302 -9.603 0.406 1.00 0.00 H new ATOM 0 HD21 LEU A 40 67.056 -10.616 -0.506 1.00 0.00 H new ATOM 0 HD22 LEU A 40 66.093 -11.325 0.811 1.00 0.00 H new ATOM 0 HD23 LEU A 40 66.655 -12.349 -0.531 1.00 0.00 H new ATOM 663 N SER A 41 61.683 -13.681 -2.749 1.00 0.00 N ATOM 664 CA SER A 41 60.930 -14.961 -2.918 1.00 0.00 C ATOM 665 C SER A 41 61.741 -15.886 -3.830 1.00 0.00 C ATOM 666 O SER A 41 62.140 -16.964 -3.439 1.00 0.00 O ATOM 667 CB SER A 41 59.570 -14.664 -3.548 1.00 0.00 C ATOM 668 OG SER A 41 59.763 -14.015 -4.797 1.00 0.00 O ATOM 0 H SER A 41 62.018 -13.265 -3.618 1.00 0.00 H new ATOM 0 HA SER A 41 60.775 -15.443 -1.953 1.00 0.00 H new ATOM 0 HB2 SER A 41 59.012 -15.589 -3.688 1.00 0.00 H new ATOM 0 HB3 SER A 41 58.979 -14.033 -2.885 1.00 0.00 H new ATOM 0 HG SER A 41 58.892 -13.825 -5.205 1.00 0.00 H new ATOM 674 N HIS A 42 62.004 -15.464 -5.041 1.00 0.00 N ATOM 675 CA HIS A 42 62.806 -16.314 -5.969 1.00 0.00 C ATOM 676 C HIS A 42 64.293 -16.130 -5.661 1.00 0.00 C ATOM 677 O HIS A 42 65.135 -16.847 -6.164 1.00 0.00 O ATOM 678 CB HIS A 42 62.530 -15.902 -7.416 1.00 0.00 C ATOM 679 CG HIS A 42 61.073 -16.108 -7.722 1.00 0.00 C ATOM 680 ND1 HIS A 42 60.538 -17.368 -7.960 1.00 0.00 N ATOM 681 CD2 HIS A 42 60.022 -15.228 -7.826 1.00 0.00 C ATOM 682 CE1 HIS A 42 59.222 -17.212 -8.190 1.00 0.00 C ATOM 683 NE2 HIS A 42 58.859 -15.930 -8.120 1.00 0.00 N ATOM 0 H HIS A 42 61.698 -14.570 -5.425 1.00 0.00 H new ATOM 0 HA HIS A 42 62.529 -17.360 -5.835 1.00 0.00 H new ATOM 0 HB2 HIS A 42 62.801 -14.857 -7.567 1.00 0.00 H new ATOM 0 HB3 HIS A 42 63.143 -16.492 -8.097 1.00 0.00 H new ATOM 0 HD2 HIS A 42 60.090 -14.158 -7.699 1.00 0.00 H new ATOM 0 HE1 HIS A 42 58.543 -18.024 -8.405 1.00 0.00 H new ATOM 0 HE2 HIS A 42 57.924 -15.546 -8.254 1.00 0.00 H new ATOM 692 N PHE A 43 64.622 -15.156 -4.849 1.00 0.00 N ATOM 693 CA PHE A 43 66.059 -14.900 -4.517 1.00 0.00 C ATOM 694 C PHE A 43 66.407 -15.532 -3.168 1.00 0.00 C ATOM 695 O PHE A 43 67.532 -15.464 -2.715 1.00 0.00 O ATOM 696 CB PHE A 43 66.300 -13.389 -4.435 1.00 0.00 C ATOM 697 CG PHE A 43 66.183 -12.782 -5.812 1.00 0.00 C ATOM 698 CD1 PHE A 43 67.314 -12.692 -6.633 1.00 0.00 C ATOM 699 CD2 PHE A 43 64.945 -12.316 -6.271 1.00 0.00 C ATOM 700 CE1 PHE A 43 67.207 -12.134 -7.911 1.00 0.00 C ATOM 701 CE2 PHE A 43 64.838 -11.759 -7.550 1.00 0.00 C ATOM 702 CZ PHE A 43 65.970 -11.668 -8.371 1.00 0.00 C ATOM 0 H PHE A 43 63.957 -14.526 -4.401 1.00 0.00 H new ATOM 0 HA PHE A 43 66.685 -15.338 -5.294 1.00 0.00 H new ATOM 0 HB2 PHE A 43 65.575 -12.931 -3.762 1.00 0.00 H new ATOM 0 HB3 PHE A 43 67.289 -13.190 -4.022 1.00 0.00 H new ATOM 0 HD1 PHE A 43 68.268 -13.053 -6.279 1.00 0.00 H new ATOM 0 HD2 PHE A 43 64.073 -12.386 -5.638 1.00 0.00 H new ATOM 0 HE1 PHE A 43 68.080 -12.063 -8.543 1.00 0.00 H new ATOM 0 HE2 PHE A 43 63.883 -11.399 -7.904 1.00 0.00 H new ATOM 0 HZ PHE A 43 65.888 -11.238 -9.358 1.00 0.00 H new ATOM 712 N LEU A 44 65.458 -16.160 -2.524 1.00 0.00 N ATOM 713 CA LEU A 44 65.750 -16.809 -1.209 1.00 0.00 C ATOM 714 C LEU A 44 64.906 -18.077 -1.076 1.00 0.00 C ATOM 715 O LEU A 44 63.781 -18.141 -1.530 1.00 0.00 O ATOM 716 CB LEU A 44 65.411 -15.845 -0.066 1.00 0.00 C ATOM 717 CG LEU A 44 65.940 -16.406 1.270 1.00 0.00 C ATOM 718 CD1 LEU A 44 67.454 -16.163 1.398 1.00 0.00 C ATOM 719 CD2 LEU A 44 65.214 -15.721 2.429 1.00 0.00 C ATOM 0 H LEU A 44 64.496 -16.252 -2.850 1.00 0.00 H new ATOM 0 HA LEU A 44 66.808 -17.064 -1.158 1.00 0.00 H new ATOM 0 HB2 LEU A 44 65.853 -14.868 -0.260 1.00 0.00 H new ATOM 0 HB3 LEU A 44 64.332 -15.701 -0.008 1.00 0.00 H new ATOM 0 HG LEU A 44 65.756 -17.480 1.298 1.00 0.00 H new ATOM 0 HD11 LEU A 44 67.808 -16.566 2.347 1.00 0.00 H new ATOM 0 HD12 LEU A 44 67.973 -16.658 0.577 1.00 0.00 H new ATOM 0 HD13 LEU A 44 67.655 -15.092 1.361 1.00 0.00 H new ATOM 0 HD21 LEU A 44 65.585 -16.115 3.375 1.00 0.00 H new ATOM 0 HD22 LEU A 44 65.395 -14.647 2.388 1.00 0.00 H new ATOM 0 HD23 LEU A 44 64.144 -15.912 2.352 1.00 0.00 H new ATOM 731 N GLU A 45 65.442 -19.088 -0.451 1.00 0.00 N ATOM 732 CA GLU A 45 64.674 -20.354 -0.282 1.00 0.00 C ATOM 733 C GLU A 45 63.533 -20.113 0.708 1.00 0.00 C ATOM 734 O GLU A 45 63.682 -19.394 1.676 1.00 0.00 O ATOM 735 CB GLU A 45 65.594 -21.452 0.261 1.00 0.00 C ATOM 736 CG GLU A 45 66.663 -21.799 -0.781 1.00 0.00 C ATOM 737 CD GLU A 45 67.738 -20.708 -0.808 1.00 0.00 C ATOM 738 OE1 GLU A 45 67.721 -19.863 0.073 1.00 0.00 O ATOM 739 OE2 GLU A 45 68.560 -20.737 -1.708 1.00 0.00 O ATOM 0 H GLU A 45 66.380 -19.093 -0.049 1.00 0.00 H new ATOM 0 HA GLU A 45 64.273 -20.669 -1.245 1.00 0.00 H new ATOM 0 HB2 GLU A 45 66.068 -21.118 1.184 1.00 0.00 H new ATOM 0 HB3 GLU A 45 65.010 -22.340 0.506 1.00 0.00 H new ATOM 0 HG2 GLU A 45 67.116 -22.762 -0.544 1.00 0.00 H new ATOM 0 HG3 GLU A 45 66.206 -21.896 -1.766 1.00 0.00 H new ATOM 746 N GLU A 46 62.394 -20.699 0.474 1.00 0.00 N ATOM 747 CA GLU A 46 61.249 -20.488 1.401 1.00 0.00 C ATOM 748 C GLU A 46 61.594 -21.073 2.773 1.00 0.00 C ATOM 749 O GLU A 46 62.192 -22.126 2.877 1.00 0.00 O ATOM 750 CB GLU A 46 60.005 -21.187 0.842 1.00 0.00 C ATOM 751 CG GLU A 46 59.551 -20.482 -0.441 1.00 0.00 C ATOM 752 CD GLU A 46 60.524 -20.805 -1.578 1.00 0.00 C ATOM 753 OE1 GLU A 46 61.309 -21.725 -1.417 1.00 0.00 O ATOM 754 OE2 GLU A 46 60.471 -20.123 -2.589 1.00 0.00 O ATOM 0 H GLU A 46 62.206 -21.314 -0.318 1.00 0.00 H new ATOM 0 HA GLU A 46 61.050 -19.421 1.501 1.00 0.00 H new ATOM 0 HB2 GLU A 46 60.226 -22.234 0.635 1.00 0.00 H new ATOM 0 HB3 GLU A 46 59.204 -21.171 1.581 1.00 0.00 H new ATOM 0 HG2 GLU A 46 58.544 -20.804 -0.708 1.00 0.00 H new ATOM 0 HG3 GLU A 46 59.509 -19.405 -0.280 1.00 0.00 H new ATOM 761 N ILE A 47 61.225 -20.392 3.828 1.00 0.00 N ATOM 762 CA ILE A 47 61.527 -20.892 5.204 1.00 0.00 C ATOM 763 C ILE A 47 60.285 -21.561 5.795 1.00 0.00 C ATOM 764 O ILE A 47 59.248 -20.944 5.935 1.00 0.00 O ATOM 765 CB ILE A 47 61.936 -19.715 6.090 1.00 0.00 C ATOM 766 CG1 ILE A 47 63.199 -19.056 5.519 1.00 0.00 C ATOM 767 CG2 ILE A 47 62.218 -20.219 7.506 1.00 0.00 C ATOM 768 CD1 ILE A 47 63.502 -17.738 6.253 1.00 0.00 C ATOM 0 H ILE A 47 60.724 -19.504 3.795 1.00 0.00 H new ATOM 0 HA ILE A 47 62.339 -21.617 5.155 1.00 0.00 H new ATOM 0 HB ILE A 47 61.128 -18.984 6.118 1.00 0.00 H new ATOM 0 HG12 ILE A 47 64.046 -19.735 5.616 1.00 0.00 H new ATOM 0 HG13 ILE A 47 63.065 -18.863 4.455 1.00 0.00 H new ATOM 0 HG21 ILE A 47 62.510 -19.381 8.139 1.00 0.00 H new ATOM 0 HG22 ILE A 47 61.320 -20.685 7.912 1.00 0.00 H new ATOM 0 HG23 ILE A 47 63.025 -20.951 7.478 1.00 0.00 H new ATOM 0 HD11 ILE A 47 64.401 -17.286 5.834 1.00 0.00 H new ATOM 0 HD12 ILE A 47 62.662 -17.053 6.133 1.00 0.00 H new ATOM 0 HD13 ILE A 47 63.658 -17.939 7.313 1.00 0.00 H new ATOM 780 N LYS A 48 60.379 -22.818 6.142 1.00 0.00 N ATOM 781 CA LYS A 48 59.199 -23.527 6.726 1.00 0.00 C ATOM 782 C LYS A 48 59.294 -23.514 8.256 1.00 0.00 C ATOM 783 O LYS A 48 58.304 -23.661 8.944 1.00 0.00 O ATOM 784 CB LYS A 48 59.189 -24.981 6.237 1.00 0.00 C ATOM 785 CG LYS A 48 57.849 -25.635 6.595 1.00 0.00 C ATOM 786 CD LYS A 48 57.915 -27.141 6.319 1.00 0.00 C ATOM 787 CE LYS A 48 58.081 -27.394 4.818 1.00 0.00 C ATOM 788 NZ LYS A 48 57.677 -28.794 4.505 1.00 0.00 N ATOM 0 H LYS A 48 61.221 -23.385 6.047 1.00 0.00 H new ATOM 0 HA LYS A 48 58.284 -23.023 6.413 1.00 0.00 H new ATOM 0 HB2 LYS A 48 59.344 -25.014 5.159 1.00 0.00 H new ATOM 0 HB3 LYS A 48 60.009 -25.535 6.694 1.00 0.00 H new ATOM 0 HG2 LYS A 48 57.617 -25.459 7.645 1.00 0.00 H new ATOM 0 HG3 LYS A 48 57.047 -25.184 6.011 1.00 0.00 H new ATOM 0 HD2 LYS A 48 58.749 -27.582 6.865 1.00 0.00 H new ATOM 0 HD3 LYS A 48 57.007 -27.625 6.679 1.00 0.00 H new ATOM 0 HE2 LYS A 48 57.471 -26.692 4.250 1.00 0.00 H new ATOM 0 HE3 LYS A 48 59.117 -27.228 4.522 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 57.789 -28.968 3.486 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 58.277 -29.456 5.037 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 56.682 -28.937 4.773 1.00 0.00 H new ATOM 802 N GLU A 49 60.482 -23.356 8.796 1.00 0.00 N ATOM 803 CA GLU A 49 60.653 -23.356 10.289 1.00 0.00 C ATOM 804 C GLU A 49 61.135 -21.985 10.783 1.00 0.00 C ATOM 805 O GLU A 49 62.091 -21.424 10.283 1.00 0.00 O ATOM 806 CB GLU A 49 61.680 -24.424 10.672 1.00 0.00 C ATOM 807 CG GLU A 49 61.822 -24.484 12.195 1.00 0.00 C ATOM 808 CD GLU A 49 62.830 -25.571 12.568 1.00 0.00 C ATOM 809 OE1 GLU A 49 63.298 -26.250 11.670 1.00 0.00 O ATOM 810 OE2 GLU A 49 63.119 -25.705 13.745 1.00 0.00 O ATOM 0 H GLU A 49 61.344 -23.227 8.266 1.00 0.00 H new ATOM 0 HA GLU A 49 59.691 -23.572 10.754 1.00 0.00 H new ATOM 0 HB2 GLU A 49 61.369 -25.395 10.288 1.00 0.00 H new ATOM 0 HB3 GLU A 49 62.643 -24.195 10.216 1.00 0.00 H new ATOM 0 HG2 GLU A 49 62.152 -23.519 12.579 1.00 0.00 H new ATOM 0 HG3 GLU A 49 60.856 -24.696 12.653 1.00 0.00 H new ATOM 817 N GLN A 50 60.471 -21.455 11.775 1.00 0.00 N ATOM 818 CA GLN A 50 60.856 -20.130 12.348 1.00 0.00 C ATOM 819 C GLN A 50 62.286 -20.188 12.908 1.00 0.00 C ATOM 820 O GLN A 50 63.041 -19.246 12.803 1.00 0.00 O ATOM 821 CB GLN A 50 59.870 -19.766 13.466 1.00 0.00 C ATOM 822 CG GLN A 50 60.236 -18.407 14.069 1.00 0.00 C ATOM 823 CD GLN A 50 59.213 -18.034 15.143 1.00 0.00 C ATOM 824 OE1 GLN A 50 58.970 -18.794 16.060 1.00 0.00 O ATOM 825 NE2 GLN A 50 58.594 -16.887 15.066 1.00 0.00 N ATOM 0 H GLN A 50 59.664 -21.891 12.221 1.00 0.00 H new ATOM 0 HA GLN A 50 60.823 -19.372 11.566 1.00 0.00 H new ATOM 0 HB2 GLN A 50 58.855 -19.735 13.070 1.00 0.00 H new ATOM 0 HB3 GLN A 50 59.887 -20.533 14.241 1.00 0.00 H new ATOM 0 HG2 GLN A 50 61.236 -18.446 14.502 1.00 0.00 H new ATOM 0 HG3 GLN A 50 60.256 -17.645 13.290 1.00 0.00 H new ATOM 0 HE21 GLN A 50 58.797 -16.248 14.297 1.00 0.00 H new ATOM 0 HE22 GLN A 50 57.907 -16.629 15.775 1.00 0.00 H new ATOM 834 N GLU A 51 62.648 -21.277 13.527 1.00 0.00 N ATOM 835 CA GLU A 51 64.022 -21.381 14.120 1.00 0.00 C ATOM 836 C GLU A 51 65.057 -20.886 13.108 1.00 0.00 C ATOM 837 O GLU A 51 66.066 -20.314 13.468 1.00 0.00 O ATOM 838 CB GLU A 51 64.331 -22.839 14.481 1.00 0.00 C ATOM 839 CG GLU A 51 63.334 -23.345 15.528 1.00 0.00 C ATOM 840 CD GLU A 51 63.464 -22.521 16.811 1.00 0.00 C ATOM 841 OE1 GLU A 51 64.543 -22.517 17.382 1.00 0.00 O ATOM 842 OE2 GLU A 51 62.485 -21.909 17.202 1.00 0.00 O ATOM 0 H GLU A 51 62.058 -22.100 13.651 1.00 0.00 H new ATOM 0 HA GLU A 51 64.064 -20.769 15.021 1.00 0.00 H new ATOM 0 HB2 GLU A 51 64.280 -23.462 13.588 1.00 0.00 H new ATOM 0 HB3 GLU A 51 65.347 -22.919 14.867 1.00 0.00 H new ATOM 0 HG2 GLU A 51 62.318 -23.273 15.140 1.00 0.00 H new ATOM 0 HG3 GLU A 51 63.520 -24.398 15.741 1.00 0.00 H new ATOM 849 N VAL A 52 64.805 -21.083 11.849 1.00 0.00 N ATOM 850 CA VAL A 52 65.759 -20.607 10.811 1.00 0.00 C ATOM 851 C VAL A 52 65.776 -19.076 10.818 1.00 0.00 C ATOM 852 O VAL A 52 66.782 -18.453 10.546 1.00 0.00 O ATOM 853 CB VAL A 52 65.321 -21.122 9.439 1.00 0.00 C ATOM 854 CG1 VAL A 52 66.147 -20.446 8.340 1.00 0.00 C ATOM 855 CG2 VAL A 52 65.535 -22.636 9.382 1.00 0.00 C ATOM 0 H VAL A 52 63.975 -21.556 11.490 1.00 0.00 H new ATOM 0 HA VAL A 52 66.760 -20.982 11.024 1.00 0.00 H new ATOM 0 HB VAL A 52 64.267 -20.891 9.284 1.00 0.00 H new ATOM 0 HG11 VAL A 52 65.830 -20.818 7.366 1.00 0.00 H new ATOM 0 HG12 VAL A 52 65.997 -19.367 8.383 1.00 0.00 H new ATOM 0 HG13 VAL A 52 67.203 -20.672 8.488 1.00 0.00 H new ATOM 0 HG21 VAL A 52 65.225 -23.011 8.407 1.00 0.00 H new ATOM 0 HG22 VAL A 52 66.590 -22.860 9.538 1.00 0.00 H new ATOM 0 HG23 VAL A 52 64.943 -23.117 10.160 1.00 0.00 H new ATOM 865 N VAL A 53 64.667 -18.468 11.145 1.00 0.00 N ATOM 866 CA VAL A 53 64.623 -16.979 11.185 1.00 0.00 C ATOM 867 C VAL A 53 65.466 -16.490 12.367 1.00 0.00 C ATOM 868 O VAL A 53 66.186 -15.516 12.268 1.00 0.00 O ATOM 869 CB VAL A 53 63.173 -16.508 11.352 1.00 0.00 C ATOM 870 CG1 VAL A 53 63.139 -15.001 11.626 1.00 0.00 C ATOM 871 CG2 VAL A 53 62.393 -16.804 10.073 1.00 0.00 C ATOM 0 H VAL A 53 63.793 -18.936 11.385 1.00 0.00 H new ATOM 0 HA VAL A 53 65.021 -16.573 10.255 1.00 0.00 H new ATOM 0 HB VAL A 53 62.722 -17.036 12.192 1.00 0.00 H new ATOM 0 HG11 VAL A 53 62.105 -14.676 11.743 1.00 0.00 H new ATOM 0 HG12 VAL A 53 63.693 -14.785 12.539 1.00 0.00 H new ATOM 0 HG13 VAL A 53 63.594 -14.469 10.791 1.00 0.00 H new ATOM 0 HG21 VAL A 53 61.362 -16.470 10.190 1.00 0.00 H new ATOM 0 HG22 VAL A 53 62.852 -16.277 9.237 1.00 0.00 H new ATOM 0 HG23 VAL A 53 62.407 -17.876 9.878 1.00 0.00 H new ATOM 881 N ASP A 54 65.370 -17.158 13.484 1.00 0.00 N ATOM 882 CA ASP A 54 66.152 -16.737 14.680 1.00 0.00 C ATOM 883 C ASP A 54 67.651 -16.830 14.380 1.00 0.00 C ATOM 884 O ASP A 54 68.424 -15.978 14.768 1.00 0.00 O ATOM 885 CB ASP A 54 65.807 -17.648 15.861 1.00 0.00 C ATOM 886 CG ASP A 54 64.378 -17.359 16.325 1.00 0.00 C ATOM 887 OD1 ASP A 54 63.882 -16.287 16.017 1.00 0.00 O ATOM 888 OD2 ASP A 54 63.807 -18.213 16.983 1.00 0.00 O ATOM 0 H ASP A 54 64.781 -17.980 13.620 1.00 0.00 H new ATOM 0 HA ASP A 54 65.901 -15.706 14.930 1.00 0.00 H new ATOM 0 HB2 ASP A 54 65.901 -18.694 15.568 1.00 0.00 H new ATOM 0 HB3 ASP A 54 66.507 -17.482 16.679 1.00 0.00 H new ATOM 893 N LYS A 55 68.067 -17.854 13.687 1.00 0.00 N ATOM 894 CA LYS A 55 69.516 -17.986 13.364 1.00 0.00 C ATOM 895 C LYS A 55 69.916 -16.849 12.432 1.00 0.00 C ATOM 896 O LYS A 55 70.970 -16.259 12.559 1.00 0.00 O ATOM 897 CB LYS A 55 69.767 -19.323 12.664 1.00 0.00 C ATOM 898 CG LYS A 55 69.581 -20.470 13.661 1.00 0.00 C ATOM 899 CD LYS A 55 69.621 -21.811 12.920 1.00 0.00 C ATOM 900 CE LYS A 55 70.973 -21.989 12.217 1.00 0.00 C ATOM 901 NZ LYS A 55 72.069 -21.494 13.096 1.00 0.00 N ATOM 0 H LYS A 55 67.470 -18.601 13.332 1.00 0.00 H new ATOM 0 HA LYS A 55 70.103 -17.944 14.281 1.00 0.00 H new ATOM 0 HB2 LYS A 55 69.079 -19.441 11.827 1.00 0.00 H new ATOM 0 HB3 LYS A 55 70.776 -19.346 12.253 1.00 0.00 H new ATOM 0 HG2 LYS A 55 70.365 -20.438 14.417 1.00 0.00 H new ATOM 0 HG3 LYS A 55 68.630 -20.360 14.183 1.00 0.00 H new ATOM 0 HD2 LYS A 55 69.458 -22.628 13.623 1.00 0.00 H new ATOM 0 HD3 LYS A 55 68.814 -21.855 12.188 1.00 0.00 H new ATOM 0 HE2 LYS A 55 71.133 -23.040 11.978 1.00 0.00 H new ATOM 0 HE3 LYS A 55 70.977 -21.443 11.273 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 72.967 -21.934 12.812 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 72.146 -20.461 13.006 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 71.860 -21.741 14.084 1.00 0.00 H new ATOM 915 N VAL A 56 69.068 -16.538 11.495 1.00 0.00 N ATOM 916 CA VAL A 56 69.372 -15.435 10.543 1.00 0.00 C ATOM 917 C VAL A 56 69.480 -14.118 11.311 1.00 0.00 C ATOM 918 O VAL A 56 70.335 -13.301 11.044 1.00 0.00 O ATOM 919 CB VAL A 56 68.262 -15.359 9.489 1.00 0.00 C ATOM 920 CG1 VAL A 56 68.415 -14.083 8.654 1.00 0.00 C ATOM 921 CG2 VAL A 56 68.368 -16.578 8.567 1.00 0.00 C ATOM 0 H VAL A 56 68.172 -17.002 11.346 1.00 0.00 H new ATOM 0 HA VAL A 56 70.321 -15.623 10.040 1.00 0.00 H new ATOM 0 HB VAL A 56 67.293 -15.345 9.987 1.00 0.00 H new ATOM 0 HG11 VAL A 56 67.621 -14.039 7.908 1.00 0.00 H new ATOM 0 HG12 VAL A 56 68.349 -13.212 9.306 1.00 0.00 H new ATOM 0 HG13 VAL A 56 69.383 -14.090 8.153 1.00 0.00 H new ATOM 0 HG21 VAL A 56 67.582 -16.533 7.813 1.00 0.00 H new ATOM 0 HG22 VAL A 56 69.342 -16.580 8.077 1.00 0.00 H new ATOM 0 HG23 VAL A 56 68.256 -17.489 9.154 1.00 0.00 H new ATOM 931 N MET A 57 68.622 -13.910 12.271 1.00 0.00 N ATOM 932 CA MET A 57 68.684 -12.648 13.064 1.00 0.00 C ATOM 933 C MET A 57 69.977 -12.602 13.884 1.00 0.00 C ATOM 934 O MET A 57 70.649 -11.589 13.949 1.00 0.00 O ATOM 935 CB MET A 57 67.482 -12.579 14.010 1.00 0.00 C ATOM 936 CG MET A 57 67.583 -11.312 14.863 1.00 0.00 C ATOM 937 SD MET A 57 66.014 -11.036 15.734 1.00 0.00 S ATOM 938 CE MET A 57 65.572 -9.458 14.961 1.00 0.00 C ATOM 0 H MET A 57 67.882 -14.557 12.541 1.00 0.00 H new ATOM 0 HA MET A 57 68.665 -11.800 12.380 1.00 0.00 H new ATOM 0 HB2 MET A 57 66.554 -12.573 13.438 1.00 0.00 H new ATOM 0 HB3 MET A 57 67.457 -13.461 14.650 1.00 0.00 H new ATOM 0 HG2 MET A 57 68.397 -11.409 15.581 1.00 0.00 H new ATOM 0 HG3 MET A 57 67.816 -10.454 14.232 1.00 0.00 H new ATOM 0 HE1 MET A 57 64.640 -9.091 15.390 1.00 0.00 H new ATOM 0 HE2 MET A 57 66.364 -8.731 15.139 1.00 0.00 H new ATOM 0 HE3 MET A 57 65.445 -9.601 13.888 1.00 0.00 H new ATOM 948 N GLU A 58 70.327 -13.689 14.515 1.00 0.00 N ATOM 949 CA GLU A 58 71.570 -13.705 15.342 1.00 0.00 C ATOM 950 C GLU A 58 72.778 -13.395 14.459 1.00 0.00 C ATOM 951 O GLU A 58 73.584 -12.537 14.765 1.00 0.00 O ATOM 952 CB GLU A 58 71.739 -15.101 15.954 1.00 0.00 C ATOM 953 CG GLU A 58 72.910 -15.104 16.941 1.00 0.00 C ATOM 954 CD GLU A 58 72.569 -14.222 18.144 1.00 0.00 C ATOM 955 OE1 GLU A 58 71.398 -13.933 18.326 1.00 0.00 O ATOM 956 OE2 GLU A 58 73.483 -13.851 18.862 1.00 0.00 O ATOM 0 H GLU A 58 69.808 -14.567 14.495 1.00 0.00 H new ATOM 0 HA GLU A 58 71.497 -12.956 16.130 1.00 0.00 H new ATOM 0 HB2 GLU A 58 70.822 -15.396 16.464 1.00 0.00 H new ATOM 0 HB3 GLU A 58 71.915 -15.833 15.166 1.00 0.00 H new ATOM 0 HG2 GLU A 58 73.118 -16.122 17.271 1.00 0.00 H new ATOM 0 HG3 GLU A 58 73.812 -14.737 16.452 1.00 0.00 H new ATOM 963 N THR A 59 72.901 -14.083 13.362 1.00 0.00 N ATOM 964 CA THR A 59 74.045 -13.839 12.440 1.00 0.00 C ATOM 965 C THR A 59 73.877 -12.484 11.762 1.00 0.00 C ATOM 966 O THR A 59 74.824 -11.748 11.566 1.00 0.00 O ATOM 967 CB THR A 59 74.074 -14.935 11.373 1.00 0.00 C ATOM 968 OG1 THR A 59 74.231 -16.201 11.998 1.00 0.00 O ATOM 969 CG2 THR A 59 75.234 -14.688 10.409 1.00 0.00 C ATOM 0 H THR A 59 72.253 -14.811 13.060 1.00 0.00 H new ATOM 0 HA THR A 59 74.976 -13.848 13.007 1.00 0.00 H new ATOM 0 HB THR A 59 73.138 -14.920 10.815 1.00 0.00 H new ATOM 0 HG1 THR A 59 74.248 -16.903 11.315 1.00 0.00 H new ATOM 0 HG21 THR A 59 75.250 -15.471 9.651 1.00 0.00 H new ATOM 0 HG22 THR A 59 75.106 -13.719 9.927 1.00 0.00 H new ATOM 0 HG23 THR A 59 76.174 -14.697 10.961 1.00 0.00 H new ATOM 977 N LEU A 60 72.676 -12.158 11.389 1.00 0.00 N ATOM 978 CA LEU A 60 72.433 -10.860 10.707 1.00 0.00 C ATOM 979 C LEU A 60 72.615 -9.710 11.702 1.00 0.00 C ATOM 980 O LEU A 60 73.146 -8.670 11.369 1.00 0.00 O ATOM 981 CB LEU A 60 71.011 -10.843 10.137 1.00 0.00 C ATOM 982 CG LEU A 60 70.740 -9.520 9.408 1.00 0.00 C ATOM 983 CD1 LEU A 60 71.737 -9.339 8.249 1.00 0.00 C ATOM 984 CD2 LEU A 60 69.311 -9.541 8.858 1.00 0.00 C ATOM 0 H LEU A 60 71.847 -12.737 11.527 1.00 0.00 H new ATOM 0 HA LEU A 60 73.147 -10.737 9.893 1.00 0.00 H new ATOM 0 HB2 LEU A 60 70.879 -11.678 9.449 1.00 0.00 H new ATOM 0 HB3 LEU A 60 70.288 -10.976 10.942 1.00 0.00 H new ATOM 0 HG LEU A 60 70.859 -8.690 10.105 1.00 0.00 H new ATOM 0 HD11 LEU A 60 71.535 -8.397 7.739 1.00 0.00 H new ATOM 0 HD12 LEU A 60 72.754 -9.328 8.642 1.00 0.00 H new ATOM 0 HD13 LEU A 60 71.629 -10.163 7.544 1.00 0.00 H new ATOM 0 HD21 LEU A 60 69.108 -8.605 8.338 1.00 0.00 H new ATOM 0 HD22 LEU A 60 69.201 -10.374 8.163 1.00 0.00 H new ATOM 0 HD23 LEU A 60 68.606 -9.659 9.681 1.00 0.00 H new ATOM 996 N ASP A 61 72.162 -9.883 12.914 1.00 0.00 N ATOM 997 CA ASP A 61 72.286 -8.788 13.922 1.00 0.00 C ATOM 998 C ASP A 61 73.760 -8.537 14.253 1.00 0.00 C ATOM 999 O ASP A 61 74.423 -9.350 14.865 1.00 0.00 O ATOM 1000 CB ASP A 61 71.548 -9.192 15.197 1.00 0.00 C ATOM 1001 CG ASP A 61 71.555 -8.022 16.181 1.00 0.00 C ATOM 1002 OD1 ASP A 61 72.275 -7.070 15.931 1.00 0.00 O ATOM 1003 OD2 ASP A 61 70.838 -8.098 17.163 1.00 0.00 O ATOM 0 H ASP A 61 71.712 -10.734 13.251 1.00 0.00 H new ATOM 0 HA ASP A 61 71.853 -7.876 13.511 1.00 0.00 H new ATOM 0 HB2 ASP A 61 70.523 -9.477 14.962 1.00 0.00 H new ATOM 0 HB3 ASP A 61 72.026 -10.062 15.647 1.00 0.00 H new ATOM 1008 N GLU A 62 74.270 -7.412 13.836 1.00 0.00 N ATOM 1009 CA GLU A 62 75.700 -7.084 14.103 1.00 0.00 C ATOM 1010 C GLU A 62 75.977 -7.045 15.608 1.00 0.00 C ATOM 1011 O GLU A 62 76.934 -7.625 16.083 1.00 0.00 O ATOM 1012 CB GLU A 62 76.035 -5.717 13.492 1.00 0.00 C ATOM 1013 CG GLU A 62 77.545 -5.453 13.595 1.00 0.00 C ATOM 1014 CD GLU A 62 77.907 -4.996 15.014 1.00 0.00 C ATOM 1015 OE1 GLU A 62 77.032 -4.490 15.699 1.00 0.00 O ATOM 1016 OE2 GLU A 62 79.057 -5.157 15.389 1.00 0.00 O ATOM 0 H GLU A 62 73.755 -6.700 13.318 1.00 0.00 H new ATOM 0 HA GLU A 62 76.322 -7.858 13.652 1.00 0.00 H new ATOM 0 HB2 GLU A 62 75.723 -5.689 12.448 1.00 0.00 H new ATOM 0 HB3 GLU A 62 75.484 -4.932 14.010 1.00 0.00 H new ATOM 0 HG2 GLU A 62 78.098 -6.358 13.344 1.00 0.00 H new ATOM 0 HG3 GLU A 62 77.838 -4.690 12.873 1.00 0.00 H new ATOM 1023 N ASP A 63 75.172 -6.339 16.363 1.00 0.00 N ATOM 1024 CA ASP A 63 75.417 -6.235 17.835 1.00 0.00 C ATOM 1025 C ASP A 63 74.614 -7.290 18.609 1.00 0.00 C ATOM 1026 O ASP A 63 74.709 -7.384 19.816 1.00 0.00 O ATOM 1027 CB ASP A 63 75.036 -4.826 18.313 1.00 0.00 C ATOM 1028 CG ASP A 63 73.538 -4.583 18.118 1.00 0.00 C ATOM 1029 OD1 ASP A 63 72.900 -5.392 17.466 1.00 0.00 O ATOM 1030 OD2 ASP A 63 73.056 -3.583 18.625 1.00 0.00 O ATOM 0 H ASP A 63 74.356 -5.830 16.024 1.00 0.00 H new ATOM 0 HA ASP A 63 76.475 -6.417 18.026 1.00 0.00 H new ATOM 0 HB2 ASP A 63 75.296 -4.709 19.365 1.00 0.00 H new ATOM 0 HB3 ASP A 63 75.607 -4.081 17.759 1.00 0.00 H new ATOM 1035 N GLY A 64 73.834 -8.095 17.938 1.00 0.00 N ATOM 1036 CA GLY A 64 73.056 -9.142 18.659 1.00 0.00 C ATOM 1037 C GLY A 64 72.068 -8.493 19.632 1.00 0.00 C ATOM 1038 O GLY A 64 71.725 -9.063 20.649 1.00 0.00 O ATOM 0 H GLY A 64 73.703 -8.073 16.927 1.00 0.00 H new ATOM 0 HA2 GLY A 64 72.517 -9.762 17.943 1.00 0.00 H new ATOM 0 HA3 GLY A 64 73.734 -9.799 19.203 1.00 0.00 H new ATOM 1042 N ASP A 65 71.608 -7.307 19.341 1.00 0.00 N ATOM 1043 CA ASP A 65 70.647 -6.641 20.268 1.00 0.00 C ATOM 1044 C ASP A 65 69.282 -7.325 20.175 1.00 0.00 C ATOM 1045 O ASP A 65 68.351 -6.965 20.865 1.00 0.00 O ATOM 1046 CB ASP A 65 70.508 -5.162 19.892 1.00 0.00 C ATOM 1047 CG ASP A 65 69.908 -5.035 18.488 1.00 0.00 C ATOM 1048 OD1 ASP A 65 69.936 -6.015 17.761 1.00 0.00 O ATOM 1049 OD2 ASP A 65 69.433 -3.959 18.165 1.00 0.00 O ATOM 0 H ASP A 65 71.853 -6.773 18.508 1.00 0.00 H new ATOM 0 HA ASP A 65 71.020 -6.720 21.289 1.00 0.00 H new ATOM 0 HB2 ASP A 65 69.873 -4.652 20.616 1.00 0.00 H new ATOM 0 HB3 ASP A 65 71.483 -4.676 19.926 1.00 0.00 H new ATOM 1054 N GLY A 66 69.157 -8.317 19.339 1.00 0.00 N ATOM 1055 CA GLY A 66 67.852 -9.029 19.218 1.00 0.00 C ATOM 1056 C GLY A 66 66.850 -8.152 18.468 1.00 0.00 C ATOM 1057 O GLY A 66 65.654 -8.251 18.663 1.00 0.00 O ATOM 0 H GLY A 66 69.900 -8.666 18.734 1.00 0.00 H new ATOM 0 HA2 GLY A 66 67.990 -9.972 18.690 1.00 0.00 H new ATOM 0 HA3 GLY A 66 67.467 -9.272 20.208 1.00 0.00 H new ATOM 1061 N GLU A 67 67.333 -7.303 17.607 1.00 0.00 N ATOM 1062 CA GLU A 67 66.435 -6.418 16.821 1.00 0.00 C ATOM 1063 C GLU A 67 67.226 -5.960 15.598 1.00 0.00 C ATOM 1064 O GLU A 67 68.440 -6.013 15.601 1.00 0.00 O ATOM 1065 CB GLU A 67 66.028 -5.207 17.672 1.00 0.00 C ATOM 1066 CG GLU A 67 64.859 -4.468 17.010 1.00 0.00 C ATOM 1067 CD GLU A 67 63.588 -5.319 17.095 1.00 0.00 C ATOM 1068 OE1 GLU A 67 63.640 -6.375 17.703 1.00 0.00 O ATOM 1069 OE2 GLU A 67 62.579 -4.896 16.554 1.00 0.00 O ATOM 0 H GLU A 67 68.327 -7.184 17.413 1.00 0.00 H new ATOM 0 HA GLU A 67 65.526 -6.941 16.522 1.00 0.00 H new ATOM 0 HB2 GLU A 67 65.742 -5.534 18.672 1.00 0.00 H new ATOM 0 HB3 GLU A 67 66.876 -4.532 17.788 1.00 0.00 H new ATOM 0 HG2 GLU A 67 64.698 -3.509 17.502 1.00 0.00 H new ATOM 0 HG3 GLU A 67 65.096 -4.255 15.967 1.00 0.00 H new ATOM 1076 N CYS A 68 66.571 -5.518 14.554 1.00 0.00 N ATOM 1077 CA CYS A 68 67.314 -5.066 13.334 1.00 0.00 C ATOM 1078 C CYS A 68 67.108 -3.562 13.148 1.00 0.00 C ATOM 1079 O CYS A 68 66.053 -3.105 12.745 1.00 0.00 O ATOM 1080 CB CYS A 68 66.784 -5.834 12.122 1.00 0.00 C ATOM 1081 SG CYS A 68 67.470 -5.131 10.603 1.00 0.00 S ATOM 0 H CYS A 68 65.555 -5.450 14.492 1.00 0.00 H new ATOM 0 HA CYS A 68 68.381 -5.262 13.443 1.00 0.00 H new ATOM 0 HB2 CYS A 68 67.054 -6.887 12.201 1.00 0.00 H new ATOM 0 HB3 CYS A 68 65.695 -5.785 12.097 1.00 0.00 H new ATOM 0 HG CYS A 68 67.017 -5.789 9.577 1.00 0.00 H new ATOM 1087 N ASP A 69 68.107 -2.789 13.489 1.00 0.00 N ATOM 1088 CA ASP A 69 67.994 -1.307 13.388 1.00 0.00 C ATOM 1089 C ASP A 69 67.989 -0.850 11.929 1.00 0.00 C ATOM 1090 O ASP A 69 68.167 -1.623 11.009 1.00 0.00 O ATOM 1091 CB ASP A 69 69.175 -0.651 14.113 1.00 0.00 C ATOM 1092 CG ASP A 69 68.859 0.822 14.392 1.00 0.00 C ATOM 1093 OD1 ASP A 69 67.795 1.267 13.994 1.00 0.00 O ATOM 1094 OD2 ASP A 69 69.686 1.481 15.002 1.00 0.00 O ATOM 0 H ASP A 69 69.004 -3.127 13.836 1.00 0.00 H new ATOM 0 HA ASP A 69 67.053 -1.008 13.850 1.00 0.00 H new ATOM 0 HB2 ASP A 69 69.375 -1.173 15.049 1.00 0.00 H new ATOM 0 HB3 ASP A 69 70.076 -0.730 13.505 1.00 0.00 H new ATOM 1099 N PHE A 70 67.800 0.423 11.741 1.00 0.00 N ATOM 1100 CA PHE A 70 67.792 0.998 10.371 1.00 0.00 C ATOM 1101 C PHE A 70 69.178 0.819 9.741 1.00 0.00 C ATOM 1102 O PHE A 70 69.313 0.481 8.591 1.00 0.00 O ATOM 1103 CB PHE A 70 67.455 2.487 10.441 1.00 0.00 C ATOM 1104 CG PHE A 70 67.257 3.021 9.044 1.00 0.00 C ATOM 1105 CD1 PHE A 70 68.348 3.518 8.321 1.00 0.00 C ATOM 1106 CD2 PHE A 70 65.982 3.017 8.470 1.00 0.00 C ATOM 1107 CE1 PHE A 70 68.161 4.010 7.022 1.00 0.00 C ATOM 1108 CE2 PHE A 70 65.795 3.509 7.173 1.00 0.00 C ATOM 1109 CZ PHE A 70 66.885 4.006 6.449 1.00 0.00 C ATOM 0 H PHE A 70 67.649 1.099 12.489 1.00 0.00 H new ATOM 0 HA PHE A 70 67.043 0.487 9.766 1.00 0.00 H new ATOM 0 HB2 PHE A 70 66.552 2.640 11.032 1.00 0.00 H new ATOM 0 HB3 PHE A 70 68.258 3.030 10.940 1.00 0.00 H new ATOM 0 HD1 PHE A 70 69.333 3.522 8.764 1.00 0.00 H new ATOM 0 HD2 PHE A 70 65.140 2.634 9.028 1.00 0.00 H new ATOM 0 HE1 PHE A 70 69.002 4.392 6.463 1.00 0.00 H new ATOM 0 HE2 PHE A 70 64.810 3.505 6.731 1.00 0.00 H new ATOM 0 HZ PHE A 70 66.741 4.386 5.448 1.00 0.00 H new ATOM 1119 N GLN A 71 70.209 1.090 10.483 1.00 0.00 N ATOM 1120 CA GLN A 71 71.577 0.974 9.901 1.00 0.00 C ATOM 1121 C GLN A 71 71.806 -0.465 9.420 1.00 0.00 C ATOM 1122 O GLN A 71 72.139 -0.692 8.273 1.00 0.00 O ATOM 1123 CB GLN A 71 72.617 1.333 10.963 1.00 0.00 C ATOM 1124 CG GLN A 71 72.498 2.813 11.321 1.00 0.00 C ATOM 1125 CD GLN A 71 73.526 3.159 12.397 1.00 0.00 C ATOM 1126 OE1 GLN A 71 74.662 2.731 12.329 1.00 0.00 O ATOM 1127 NE2 GLN A 71 73.173 3.912 13.403 1.00 0.00 N ATOM 0 H GLN A 71 70.170 1.384 11.459 1.00 0.00 H new ATOM 0 HA GLN A 71 71.673 1.658 9.058 1.00 0.00 H new ATOM 0 HB2 GLN A 71 72.469 0.721 11.853 1.00 0.00 H new ATOM 0 HB3 GLN A 71 73.619 1.118 10.592 1.00 0.00 H new ATOM 0 HG2 GLN A 71 72.662 3.427 10.435 1.00 0.00 H new ATOM 0 HG3 GLN A 71 71.492 3.032 11.679 1.00 0.00 H new ATOM 0 HE21 GLN A 71 72.220 4.272 13.461 1.00 0.00 H new ATOM 0 HE22 GLN A 71 73.850 4.141 14.131 1.00 0.00 H new ATOM 1136 N GLU A 72 71.630 -1.440 10.271 1.00 0.00 N ATOM 1137 CA GLU A 72 71.849 -2.852 9.828 1.00 0.00 C ATOM 1138 C GLU A 72 70.884 -3.164 8.679 1.00 0.00 C ATOM 1139 O GLU A 72 71.237 -3.791 7.703 1.00 0.00 O ATOM 1140 CB GLU A 72 71.571 -3.803 10.995 1.00 0.00 C ATOM 1141 CG GLU A 72 72.651 -3.634 12.065 1.00 0.00 C ATOM 1142 CD GLU A 72 72.321 -4.520 13.267 1.00 0.00 C ATOM 1143 OE1 GLU A 72 71.297 -5.183 13.224 1.00 0.00 O ATOM 1144 OE2 GLU A 72 73.096 -4.523 14.209 1.00 0.00 O ATOM 0 H GLU A 72 71.347 -1.325 11.244 1.00 0.00 H new ATOM 0 HA GLU A 72 72.879 -2.980 9.496 1.00 0.00 H new ATOM 0 HB2 GLU A 72 70.589 -3.596 11.420 1.00 0.00 H new ATOM 0 HB3 GLU A 72 71.554 -4.834 10.641 1.00 0.00 H new ATOM 0 HG2 GLU A 72 73.626 -3.903 11.658 1.00 0.00 H new ATOM 0 HG3 GLU A 72 72.711 -2.591 12.374 1.00 0.00 H new ATOM 1151 N PHE A 73 69.664 -2.725 8.813 1.00 0.00 N ATOM 1152 CA PHE A 73 68.648 -2.988 7.748 1.00 0.00 C ATOM 1153 C PHE A 73 69.269 -2.672 6.384 1.00 0.00 C ATOM 1154 O PHE A 73 69.069 -3.383 5.419 1.00 0.00 O ATOM 1155 CB PHE A 73 67.410 -2.113 7.975 1.00 0.00 C ATOM 1156 CG PHE A 73 66.509 -2.164 6.761 1.00 0.00 C ATOM 1157 CD1 PHE A 73 66.730 -1.286 5.695 1.00 0.00 C ATOM 1158 CD2 PHE A 73 65.456 -3.081 6.704 1.00 0.00 C ATOM 1159 CE1 PHE A 73 65.899 -1.324 4.569 1.00 0.00 C ATOM 1160 CE2 PHE A 73 64.623 -3.118 5.579 1.00 0.00 C ATOM 1161 CZ PHE A 73 64.845 -2.241 4.512 1.00 0.00 C ATOM 0 H PHE A 73 69.323 -2.194 9.614 1.00 0.00 H new ATOM 0 HA PHE A 73 68.344 -4.034 7.781 1.00 0.00 H new ATOM 0 HB2 PHE A 73 66.867 -2.458 8.855 1.00 0.00 H new ATOM 0 HB3 PHE A 73 67.713 -1.084 8.170 1.00 0.00 H new ATOM 0 HD1 PHE A 73 67.544 -0.577 5.741 1.00 0.00 H new ATOM 0 HD2 PHE A 73 65.285 -3.760 7.526 1.00 0.00 H new ATOM 0 HE1 PHE A 73 66.072 -0.646 3.746 1.00 0.00 H new ATOM 0 HE2 PHE A 73 63.808 -3.825 5.535 1.00 0.00 H new ATOM 0 HZ PHE A 73 64.202 -2.272 3.644 1.00 0.00 H new ATOM 1171 N MET A 74 70.032 -1.621 6.305 1.00 0.00 N ATOM 1172 CA MET A 74 70.679 -1.271 5.012 1.00 0.00 C ATOM 1173 C MET A 74 71.747 -2.325 4.696 1.00 0.00 C ATOM 1174 O MET A 74 72.032 -2.611 3.552 1.00 0.00 O ATOM 1175 CB MET A 74 71.321 0.114 5.115 1.00 0.00 C ATOM 1176 CG MET A 74 70.246 1.137 5.490 1.00 0.00 C ATOM 1177 SD MET A 74 69.056 1.310 4.136 1.00 0.00 S ATOM 1178 CE MET A 74 69.933 2.602 3.225 1.00 0.00 C ATOM 0 H MET A 74 70.236 -0.989 7.079 1.00 0.00 H new ATOM 0 HA MET A 74 69.936 -1.252 4.215 1.00 0.00 H new ATOM 0 HB2 MET A 74 72.112 0.107 5.865 1.00 0.00 H new ATOM 0 HB3 MET A 74 71.784 0.385 4.166 1.00 0.00 H new ATOM 0 HG2 MET A 74 69.733 0.821 6.398 1.00 0.00 H new ATOM 0 HG3 MET A 74 70.708 2.101 5.704 1.00 0.00 H new ATOM 0 HE1 MET A 74 69.365 2.868 2.333 1.00 0.00 H new ATOM 0 HE2 MET A 74 70.045 3.482 3.859 1.00 0.00 H new ATOM 0 HE3 MET A 74 70.918 2.237 2.933 1.00 0.00 H new ATOM 1188 N ALA A 75 72.325 -2.926 5.703 1.00 0.00 N ATOM 1189 CA ALA A 75 73.345 -3.983 5.442 1.00 0.00 C ATOM 1190 C ALA A 75 72.658 -5.120 4.685 1.00 0.00 C ATOM 1191 O ALA A 75 73.069 -5.522 3.615 1.00 0.00 O ATOM 1192 CB ALA A 75 73.893 -4.513 6.769 1.00 0.00 C ATOM 0 H ALA A 75 72.137 -2.733 6.687 1.00 0.00 H new ATOM 0 HA ALA A 75 74.171 -3.576 4.859 1.00 0.00 H new ATOM 0 HB1 ALA A 75 74.637 -5.285 6.573 1.00 0.00 H new ATOM 0 HB2 ALA A 75 74.354 -3.696 7.324 1.00 0.00 H new ATOM 0 HB3 ALA A 75 73.078 -4.936 7.356 1.00 0.00 H new ATOM 1198 N PHE A 76 71.606 -5.635 5.256 1.00 0.00 N ATOM 1199 CA PHE A 76 70.865 -6.750 4.605 1.00 0.00 C ATOM 1200 C PHE A 76 70.535 -6.329 3.173 1.00 0.00 C ATOM 1201 O PHE A 76 70.651 -7.098 2.240 1.00 0.00 O ATOM 1202 CB PHE A 76 69.571 -7.020 5.380 1.00 0.00 C ATOM 1203 CG PHE A 76 68.833 -8.180 4.752 1.00 0.00 C ATOM 1204 CD1 PHE A 76 69.088 -9.485 5.189 1.00 0.00 C ATOM 1205 CD2 PHE A 76 67.891 -7.951 3.743 1.00 0.00 C ATOM 1206 CE1 PHE A 76 68.402 -10.561 4.616 1.00 0.00 C ATOM 1207 CE2 PHE A 76 67.204 -9.029 3.170 1.00 0.00 C ATOM 1208 CZ PHE A 76 67.460 -10.334 3.607 1.00 0.00 C ATOM 0 H PHE A 76 71.225 -5.329 6.152 1.00 0.00 H new ATOM 0 HA PHE A 76 71.467 -7.658 4.598 1.00 0.00 H new ATOM 0 HB2 PHE A 76 69.800 -7.243 6.422 1.00 0.00 H new ATOM 0 HB3 PHE A 76 68.941 -6.131 5.376 1.00 0.00 H new ATOM 0 HD1 PHE A 76 69.814 -9.661 5.969 1.00 0.00 H new ATOM 0 HD2 PHE A 76 67.694 -6.944 3.406 1.00 0.00 H new ATOM 0 HE1 PHE A 76 68.600 -11.568 4.953 1.00 0.00 H new ATOM 0 HE2 PHE A 76 66.477 -8.853 2.391 1.00 0.00 H new ATOM 0 HZ PHE A 76 66.930 -11.165 3.165 1.00 0.00 H new ATOM 1218 N VAL A 77 70.165 -5.095 2.996 1.00 0.00 N ATOM 1219 CA VAL A 77 69.876 -4.607 1.621 1.00 0.00 C ATOM 1220 C VAL A 77 71.161 -4.750 0.795 1.00 0.00 C ATOM 1221 O VAL A 77 71.141 -5.200 -0.333 1.00 0.00 O ATOM 1222 CB VAL A 77 69.423 -3.143 1.665 1.00 0.00 C ATOM 1223 CG1 VAL A 77 69.367 -2.574 0.246 1.00 0.00 C ATOM 1224 CG2 VAL A 77 68.031 -3.070 2.292 1.00 0.00 C ATOM 0 H VAL A 77 70.050 -4.405 3.739 1.00 0.00 H new ATOM 0 HA VAL A 77 69.073 -5.189 1.169 1.00 0.00 H new ATOM 0 HB VAL A 77 70.130 -2.562 2.257 1.00 0.00 H new ATOM 0 HG11 VAL A 77 69.044 -1.533 0.284 1.00 0.00 H new ATOM 0 HG12 VAL A 77 70.356 -2.631 -0.208 1.00 0.00 H new ATOM 0 HG13 VAL A 77 68.660 -3.152 -0.350 1.00 0.00 H new ATOM 0 HG21 VAL A 77 67.702 -2.032 2.327 1.00 0.00 H new ATOM 0 HG22 VAL A 77 67.331 -3.653 1.693 1.00 0.00 H new ATOM 0 HG23 VAL A 77 68.066 -3.474 3.304 1.00 0.00 H new ATOM 1234 N SER A 78 72.284 -4.377 1.359 1.00 0.00 N ATOM 1235 CA SER A 78 73.575 -4.501 0.621 1.00 0.00 C ATOM 1236 C SER A 78 73.973 -5.977 0.503 1.00 0.00 C ATOM 1237 O SER A 78 74.360 -6.440 -0.551 1.00 0.00 O ATOM 1238 CB SER A 78 74.668 -3.738 1.373 1.00 0.00 C ATOM 1239 OG SER A 78 74.320 -2.360 1.437 1.00 0.00 O ATOM 0 H SER A 78 72.360 -3.992 2.300 1.00 0.00 H new ATOM 0 HA SER A 78 73.456 -4.082 -0.378 1.00 0.00 H new ATOM 0 HB2 SER A 78 74.784 -4.143 2.378 1.00 0.00 H new ATOM 0 HB3 SER A 78 75.626 -3.860 0.868 1.00 0.00 H new ATOM 0 HG SER A 78 73.609 -2.233 2.099 1.00 0.00 H new ATOM 1245 N MET A 79 73.916 -6.712 1.581 1.00 0.00 N ATOM 1246 CA MET A 79 74.329 -8.146 1.533 1.00 0.00 C ATOM 1247 C MET A 79 73.605 -8.845 0.384 1.00 0.00 C ATOM 1248 O MET A 79 74.185 -9.629 -0.342 1.00 0.00 O ATOM 1249 CB MET A 79 73.964 -8.818 2.862 1.00 0.00 C ATOM 1250 CG MET A 79 74.563 -10.226 2.926 1.00 0.00 C ATOM 1251 SD MET A 79 74.111 -10.988 4.506 1.00 0.00 S ATOM 1252 CE MET A 79 74.658 -12.673 4.133 1.00 0.00 C ATOM 0 H MET A 79 73.601 -6.382 2.493 1.00 0.00 H new ATOM 0 HA MET A 79 75.405 -8.216 1.373 1.00 0.00 H new ATOM 0 HB2 MET A 79 74.334 -8.219 3.694 1.00 0.00 H new ATOM 0 HB3 MET A 79 72.880 -8.871 2.965 1.00 0.00 H new ATOM 0 HG2 MET A 79 74.194 -10.830 2.097 1.00 0.00 H new ATOM 0 HG3 MET A 79 75.648 -10.179 2.827 1.00 0.00 H new ATOM 0 HE1 MET A 79 74.466 -13.316 4.992 1.00 0.00 H new ATOM 0 HE2 MET A 79 74.112 -13.050 3.268 1.00 0.00 H new ATOM 0 HE3 MET A 79 75.726 -12.669 3.914 1.00 0.00 H new ATOM 1262 N VAL A 80 72.356 -8.546 0.191 1.00 0.00 N ATOM 1263 CA VAL A 80 71.614 -9.169 -0.938 1.00 0.00 C ATOM 1264 C VAL A 80 72.238 -8.673 -2.245 1.00 0.00 C ATOM 1265 O VAL A 80 72.205 -9.339 -3.261 1.00 0.00 O ATOM 1266 CB VAL A 80 70.138 -8.766 -0.877 1.00 0.00 C ATOM 1267 CG1 VAL A 80 69.420 -9.265 -2.133 1.00 0.00 C ATOM 1268 CG2 VAL A 80 69.492 -9.397 0.359 1.00 0.00 C ATOM 0 H VAL A 80 71.815 -7.898 0.764 1.00 0.00 H new ATOM 0 HA VAL A 80 71.676 -10.256 -0.879 1.00 0.00 H new ATOM 0 HB VAL A 80 70.059 -7.680 -0.819 1.00 0.00 H new ATOM 0 HG11 VAL A 80 68.369 -8.978 -2.090 1.00 0.00 H new ATOM 0 HG12 VAL A 80 69.881 -8.822 -3.016 1.00 0.00 H new ATOM 0 HG13 VAL A 80 69.498 -10.351 -2.189 1.00 0.00 H new ATOM 0 HG21 VAL A 80 68.441 -9.112 0.406 1.00 0.00 H new ATOM 0 HG22 VAL A 80 69.571 -10.482 0.297 1.00 0.00 H new ATOM 0 HG23 VAL A 80 70.003 -9.046 1.256 1.00 0.00 H new ATOM 1278 N THR A 81 72.839 -7.513 -2.203 1.00 0.00 N ATOM 1279 CA THR A 81 73.510 -6.969 -3.418 1.00 0.00 C ATOM 1280 C THR A 81 74.896 -7.614 -3.561 1.00 0.00 C ATOM 1281 O THR A 81 75.263 -8.105 -4.610 1.00 0.00 O ATOM 1282 CB THR A 81 73.663 -5.451 -3.286 1.00 0.00 C ATOM 1283 OG1 THR A 81 72.422 -4.881 -2.893 1.00 0.00 O ATOM 1284 CG2 THR A 81 74.089 -4.871 -4.633 1.00 0.00 C ATOM 0 H THR A 81 72.894 -6.918 -1.376 1.00 0.00 H new ATOM 0 HA THR A 81 72.908 -7.194 -4.298 1.00 0.00 H new ATOM 0 HB THR A 81 74.418 -5.222 -2.534 1.00 0.00 H new ATOM 0 HG1 THR A 81 72.262 -5.068 -1.944 1.00 0.00 H new ATOM 0 HG21 THR A 81 74.200 -3.790 -4.545 1.00 0.00 H new ATOM 0 HG22 THR A 81 75.040 -5.310 -4.934 1.00 0.00 H new ATOM 0 HG23 THR A 81 73.331 -5.098 -5.383 1.00 0.00 H new ATOM 1292 N THR A 82 75.669 -7.609 -2.502 1.00 0.00 N ATOM 1293 CA THR A 82 77.034 -8.208 -2.544 1.00 0.00 C ATOM 1294 C THR A 82 76.938 -9.732 -2.634 1.00 0.00 C ATOM 1295 O THR A 82 77.887 -10.403 -2.986 1.00 0.00 O ATOM 1296 CB THR A 82 77.794 -7.837 -1.271 1.00 0.00 C ATOM 1297 OG1 THR A 82 77.205 -8.498 -0.162 1.00 0.00 O ATOM 1298 CG2 THR A 82 77.740 -6.326 -1.055 1.00 0.00 C ATOM 0 H THR A 82 75.406 -7.210 -1.601 1.00 0.00 H new ATOM 0 HA THR A 82 77.558 -7.824 -3.419 1.00 0.00 H new ATOM 0 HB THR A 82 78.835 -8.145 -1.370 1.00 0.00 H new ATOM 0 HG1 THR A 82 77.692 -8.263 0.655 1.00 0.00 H new ATOM 0 HG21 THR A 82 78.284 -6.069 -0.146 1.00 0.00 H new ATOM 0 HG22 THR A 82 78.196 -5.820 -1.906 1.00 0.00 H new ATOM 0 HG23 THR A 82 76.702 -6.009 -0.959 1.00 0.00 H new ATOM 1306 N ALA A 83 75.800 -10.282 -2.329 1.00 0.00 N ATOM 1307 CA ALA A 83 75.648 -11.759 -2.409 1.00 0.00 C ATOM 1308 C ALA A 83 75.866 -12.196 -3.856 1.00 0.00 C ATOM 1309 O ALA A 83 76.492 -13.201 -4.130 1.00 0.00 O ATOM 1310 CB ALA A 83 74.243 -12.148 -1.959 1.00 0.00 C ATOM 0 H ALA A 83 74.968 -9.774 -2.028 1.00 0.00 H new ATOM 0 HA ALA A 83 76.378 -12.247 -1.763 1.00 0.00 H new ATOM 0 HB1 ALA A 83 74.129 -13.230 -2.017 1.00 0.00 H new ATOM 0 HB2 ALA A 83 74.087 -11.821 -0.931 1.00 0.00 H new ATOM 0 HB3 ALA A 83 73.508 -11.671 -2.607 1.00 0.00 H new ATOM 1316 N CYS A 84 75.357 -11.433 -4.785 1.00 0.00 N ATOM 1317 CA CYS A 84 75.534 -11.780 -6.224 1.00 0.00 C ATOM 1318 C CYS A 84 76.831 -11.146 -6.725 1.00 0.00 C ATOM 1319 O CYS A 84 76.820 -10.135 -7.400 1.00 0.00 O ATOM 1320 CB CYS A 84 74.352 -11.234 -7.026 1.00 0.00 C ATOM 1321 SG CYS A 84 72.813 -11.910 -6.360 1.00 0.00 S ATOM 0 H CYS A 84 74.824 -10.581 -4.608 1.00 0.00 H new ATOM 0 HA CYS A 84 75.580 -12.862 -6.346 1.00 0.00 H new ATOM 0 HB2 CYS A 84 74.336 -10.145 -6.976 1.00 0.00 H new ATOM 0 HB3 CYS A 84 74.456 -11.503 -8.077 1.00 0.00 H new ATOM 0 HG CYS A 84 71.806 -11.446 -7.038 1.00 0.00 H new ATOM 1450 N SER B 1 60.116 -7.052 -7.743 1.00 0.00 N ATOM 1451 CA SER B 1 59.030 -6.039 -7.654 1.00 0.00 C ATOM 1452 C SER B 1 59.649 -4.644 -7.753 1.00 0.00 C ATOM 1453 O SER B 1 60.711 -4.472 -8.320 1.00 0.00 O ATOM 1454 CB SER B 1 58.309 -6.183 -6.315 1.00 0.00 C ATOM 1455 OG SER B 1 59.231 -5.926 -5.264 1.00 0.00 O ATOM 0 H1 SER B 1 59.703 -7.988 -7.932 1.00 0.00 H new ATOM 0 H2 SER B 1 60.766 -6.798 -8.514 1.00 0.00 H new ATOM 0 H3 SER B 1 60.639 -7.080 -6.845 1.00 0.00 H new ATOM 0 HA SER B 1 58.316 -6.187 -8.464 1.00 0.00 H new ATOM 0 HB2 SER B 1 57.472 -5.486 -6.261 1.00 0.00 H new ATOM 0 HB3 SER B 1 57.895 -7.187 -6.216 1.00 0.00 H new ATOM 0 HG SER B 1 59.860 -6.674 -5.190 1.00 0.00 H new ATOM 1463 N GLU B 2 58.994 -3.641 -7.234 1.00 0.00 N ATOM 1464 CA GLU B 2 59.550 -2.262 -7.322 1.00 0.00 C ATOM 1465 C GLU B 2 60.838 -2.157 -6.496 1.00 0.00 C ATOM 1466 O GLU B 2 61.746 -1.426 -6.840 1.00 0.00 O ATOM 1467 CB GLU B 2 58.521 -1.269 -6.776 1.00 0.00 C ATOM 1468 CG GLU B 2 57.336 -1.178 -7.741 1.00 0.00 C ATOM 1469 CD GLU B 2 57.772 -0.472 -9.024 1.00 0.00 C ATOM 1470 OE1 GLU B 2 58.767 0.231 -8.982 1.00 0.00 O ATOM 1471 OE2 GLU B 2 57.104 -0.648 -10.030 1.00 0.00 O ATOM 0 H GLU B 2 58.098 -3.718 -6.753 1.00 0.00 H new ATOM 0 HA GLU B 2 59.775 -2.034 -8.364 1.00 0.00 H new ATOM 0 HB2 GLU B 2 58.178 -1.589 -5.792 1.00 0.00 H new ATOM 0 HB3 GLU B 2 58.978 -0.287 -6.651 1.00 0.00 H new ATOM 0 HG2 GLU B 2 56.965 -2.176 -7.972 1.00 0.00 H new ATOM 0 HG3 GLU B 2 56.516 -0.633 -7.275 1.00 0.00 H new ATOM 1478 N LEU B 3 60.931 -2.882 -5.411 1.00 0.00 N ATOM 1479 CA LEU B 3 62.152 -2.830 -4.557 1.00 0.00 C ATOM 1480 C LEU B 3 63.335 -3.489 -5.271 1.00 0.00 C ATOM 1481 O LEU B 3 64.459 -3.035 -5.174 1.00 0.00 O ATOM 1482 CB LEU B 3 61.855 -3.579 -3.250 1.00 0.00 C ATOM 1483 CG LEU B 3 63.083 -3.591 -2.329 1.00 0.00 C ATOM 1484 CD1 LEU B 3 63.487 -2.159 -1.958 1.00 0.00 C ATOM 1485 CD2 LEU B 3 62.730 -4.365 -1.053 1.00 0.00 C ATOM 0 H LEU B 3 60.204 -3.515 -5.078 1.00 0.00 H new ATOM 0 HA LEU B 3 62.413 -1.792 -4.352 1.00 0.00 H new ATOM 0 HB2 LEU B 3 61.017 -3.105 -2.738 1.00 0.00 H new ATOM 0 HB3 LEU B 3 61.554 -4.603 -3.474 1.00 0.00 H new ATOM 0 HG LEU B 3 63.917 -4.066 -2.845 1.00 0.00 H new ATOM 0 HD11 LEU B 3 64.359 -2.185 -1.305 1.00 0.00 H new ATOM 0 HD12 LEU B 3 63.728 -1.603 -2.864 1.00 0.00 H new ATOM 0 HD13 LEU B 3 62.661 -1.670 -1.441 1.00 0.00 H new ATOM 0 HD21 LEU B 3 63.593 -4.383 -0.388 1.00 0.00 H new ATOM 0 HD22 LEU B 3 61.895 -3.877 -0.551 1.00 0.00 H new ATOM 0 HD23 LEU B 3 62.451 -5.386 -1.312 1.00 0.00 H new ATOM 1497 N GLU B 4 63.099 -4.553 -5.987 1.00 0.00 N ATOM 1498 CA GLU B 4 64.217 -5.231 -6.700 1.00 0.00 C ATOM 1499 C GLU B 4 64.793 -4.288 -7.758 1.00 0.00 C ATOM 1500 O GLU B 4 65.991 -4.207 -7.945 1.00 0.00 O ATOM 1501 CB GLU B 4 63.690 -6.512 -7.349 1.00 0.00 C ATOM 1502 CG GLU B 4 63.451 -7.569 -6.264 1.00 0.00 C ATOM 1503 CD GLU B 4 62.366 -7.087 -5.299 1.00 0.00 C ATOM 1504 OE1 GLU B 4 61.203 -7.276 -5.605 1.00 0.00 O ATOM 1505 OE2 GLU B 4 62.717 -6.542 -4.266 1.00 0.00 O ATOM 0 H GLU B 4 62.182 -4.982 -6.109 1.00 0.00 H new ATOM 0 HA GLU B 4 65.009 -5.489 -5.998 1.00 0.00 H new ATOM 0 HB2 GLU B 4 62.763 -6.307 -7.884 1.00 0.00 H new ATOM 0 HB3 GLU B 4 64.406 -6.883 -8.083 1.00 0.00 H new ATOM 0 HG2 GLU B 4 63.150 -8.511 -6.722 1.00 0.00 H new ATOM 0 HG3 GLU B 4 64.376 -7.760 -5.720 1.00 0.00 H new ATOM 1512 N LYS B 5 63.955 -3.563 -8.448 1.00 0.00 N ATOM 1513 CA LYS B 5 64.461 -2.616 -9.481 1.00 0.00 C ATOM 1514 C LYS B 5 65.377 -1.582 -8.819 1.00 0.00 C ATOM 1515 O LYS B 5 66.395 -1.201 -9.360 1.00 0.00 O ATOM 1516 CB LYS B 5 63.285 -1.904 -10.159 1.00 0.00 C ATOM 1517 CG LYS B 5 63.810 -1.048 -11.317 1.00 0.00 C ATOM 1518 CD LYS B 5 62.649 -0.330 -12.009 1.00 0.00 C ATOM 1519 CE LYS B 5 63.200 0.567 -13.118 1.00 0.00 C ATOM 1520 NZ LYS B 5 62.073 1.133 -13.913 1.00 0.00 N ATOM 0 H LYS B 5 62.941 -3.586 -8.341 1.00 0.00 H new ATOM 0 HA LYS B 5 65.021 -3.171 -10.233 1.00 0.00 H new ATOM 0 HB2 LYS B 5 62.567 -2.636 -10.529 1.00 0.00 H new ATOM 0 HB3 LYS B 5 62.760 -1.278 -9.438 1.00 0.00 H new ATOM 0 HG2 LYS B 5 64.528 -0.318 -10.943 1.00 0.00 H new ATOM 0 HG3 LYS B 5 64.338 -1.677 -12.034 1.00 0.00 H new ATOM 0 HD2 LYS B 5 61.953 -1.058 -12.426 1.00 0.00 H new ATOM 0 HD3 LYS B 5 62.092 0.266 -11.286 1.00 0.00 H new ATOM 0 HE2 LYS B 5 63.794 1.373 -12.686 1.00 0.00 H new ATOM 0 HE3 LYS B 5 63.863 -0.006 -13.766 1.00 0.00 H new ATOM 0 HZ1 LYS B 5 62.451 1.742 -14.666 1.00 0.00 H new ATOM 0 HZ2 LYS B 5 61.524 0.358 -14.337 1.00 0.00 H new ATOM 0 HZ3 LYS B 5 61.457 1.694 -13.291 1.00 0.00 H new ATOM 1534 N ALA B 6 65.015 -1.123 -7.653 1.00 0.00 N ATOM 1535 CA ALA B 6 65.855 -0.107 -6.960 1.00 0.00 C ATOM 1536 C ALA B 6 67.253 -0.680 -6.713 1.00 0.00 C ATOM 1537 O ALA B 6 68.246 -0.060 -7.024 1.00 0.00 O ATOM 1538 CB ALA B 6 65.213 0.259 -5.619 1.00 0.00 C ATOM 0 H ALA B 6 64.174 -1.408 -7.151 1.00 0.00 H new ATOM 0 HA ALA B 6 65.931 0.784 -7.583 1.00 0.00 H new ATOM 0 HB1 ALA B 6 65.828 1.003 -5.112 1.00 0.00 H new ATOM 0 HB2 ALA B 6 64.218 0.668 -5.792 1.00 0.00 H new ATOM 0 HB3 ALA B 6 65.136 -0.633 -4.997 1.00 0.00 H new ATOM 1544 N MET B 7 67.340 -1.857 -6.158 1.00 0.00 N ATOM 1545 CA MET B 7 68.679 -2.465 -5.896 1.00 0.00 C ATOM 1546 C MET B 7 69.425 -2.620 -7.222 1.00 0.00 C ATOM 1547 O MET B 7 70.584 -2.274 -7.345 1.00 0.00 O ATOM 1548 CB MET B 7 68.478 -3.840 -5.264 1.00 0.00 C ATOM 1549 CG MET B 7 69.809 -4.375 -4.735 1.00 0.00 C ATOM 1550 SD MET B 7 69.596 -6.095 -4.212 1.00 0.00 S ATOM 1551 CE MET B 7 68.426 -5.785 -2.866 1.00 0.00 C ATOM 0 H MET B 7 66.543 -2.426 -5.874 1.00 0.00 H new ATOM 0 HA MET B 7 69.256 -1.829 -5.225 1.00 0.00 H new ATOM 0 HB2 MET B 7 67.755 -3.773 -4.451 1.00 0.00 H new ATOM 0 HB3 MET B 7 68.066 -4.531 -6.000 1.00 0.00 H new ATOM 0 HG2 MET B 7 70.574 -4.310 -5.509 1.00 0.00 H new ATOM 0 HG3 MET B 7 70.151 -3.768 -3.897 1.00 0.00 H new ATOM 0 HE1 MET B 7 68.514 -6.573 -2.118 1.00 0.00 H new ATOM 0 HE2 MET B 7 68.648 -4.822 -2.406 1.00 0.00 H new ATOM 0 HE3 MET B 7 67.411 -5.773 -3.262 1.00 0.00 H new ATOM 1561 N VAL B 8 68.765 -3.160 -8.210 1.00 0.00 N ATOM 1562 CA VAL B 8 69.422 -3.368 -9.528 1.00 0.00 C ATOM 1563 C VAL B 8 69.897 -2.021 -10.072 1.00 0.00 C ATOM 1564 O VAL B 8 70.945 -1.926 -10.679 1.00 0.00 O ATOM 1565 CB VAL B 8 68.424 -4.005 -10.502 1.00 0.00 C ATOM 1566 CG1 VAL B 8 69.022 -4.038 -11.912 1.00 0.00 C ATOM 1567 CG2 VAL B 8 68.115 -5.435 -10.046 1.00 0.00 C ATOM 0 H VAL B 8 67.794 -3.467 -8.159 1.00 0.00 H new ATOM 0 HA VAL B 8 70.279 -4.032 -9.413 1.00 0.00 H new ATOM 0 HB VAL B 8 67.507 -3.416 -10.516 1.00 0.00 H new ATOM 0 HG11 VAL B 8 68.308 -4.492 -12.599 1.00 0.00 H new ATOM 0 HG12 VAL B 8 69.243 -3.021 -12.237 1.00 0.00 H new ATOM 0 HG13 VAL B 8 69.941 -4.624 -11.904 1.00 0.00 H new ATOM 0 HG21 VAL B 8 67.405 -5.892 -10.736 1.00 0.00 H new ATOM 0 HG22 VAL B 8 69.035 -6.019 -10.032 1.00 0.00 H new ATOM 0 HG23 VAL B 8 67.684 -5.413 -9.045 1.00 0.00 H new ATOM 1577 N ALA B 9 69.147 -0.975 -9.870 1.00 0.00 N ATOM 1578 CA ALA B 9 69.583 0.349 -10.394 1.00 0.00 C ATOM 1579 C ALA B 9 70.969 0.693 -9.828 1.00 0.00 C ATOM 1580 O ALA B 9 71.823 1.195 -10.531 1.00 0.00 O ATOM 1581 CB ALA B 9 68.571 1.419 -9.962 1.00 0.00 C ATOM 0 H ALA B 9 68.258 -0.978 -9.369 1.00 0.00 H new ATOM 0 HA ALA B 9 69.637 0.314 -11.482 1.00 0.00 H new ATOM 0 HB1 ALA B 9 68.885 2.391 -10.343 1.00 0.00 H new ATOM 0 HB2 ALA B 9 67.588 1.173 -10.362 1.00 0.00 H new ATOM 0 HB3 ALA B 9 68.521 1.454 -8.874 1.00 0.00 H new ATOM 1587 N LEU B 10 71.195 0.440 -8.568 1.00 0.00 N ATOM 1588 CA LEU B 10 72.526 0.765 -7.956 1.00 0.00 C ATOM 1589 C LEU B 10 73.653 -0.002 -8.676 1.00 0.00 C ATOM 1590 O LEU B 10 74.675 0.560 -9.014 1.00 0.00 O ATOM 1591 CB LEU B 10 72.519 0.372 -6.461 1.00 0.00 C ATOM 1592 CG LEU B 10 71.920 1.488 -5.574 1.00 0.00 C ATOM 1593 CD1 LEU B 10 72.950 2.602 -5.338 1.00 0.00 C ATOM 1594 CD2 LEU B 10 70.664 2.083 -6.220 1.00 0.00 C ATOM 0 H LEU B 10 70.518 0.022 -7.930 1.00 0.00 H new ATOM 0 HA LEU B 10 72.703 1.836 -8.058 1.00 0.00 H new ATOM 0 HB2 LEU B 10 71.944 -0.544 -6.329 1.00 0.00 H new ATOM 0 HB3 LEU B 10 73.538 0.158 -6.137 1.00 0.00 H new ATOM 0 HG LEU B 10 71.649 1.042 -4.617 1.00 0.00 H new ATOM 0 HD11 LEU B 10 72.510 3.378 -4.712 1.00 0.00 H new ATOM 0 HD12 LEU B 10 73.826 2.188 -4.840 1.00 0.00 H new ATOM 0 HD13 LEU B 10 73.246 3.032 -6.295 1.00 0.00 H new ATOM 0 HD21 LEU B 10 70.261 2.866 -5.578 1.00 0.00 H new ATOM 0 HD22 LEU B 10 70.920 2.506 -7.191 1.00 0.00 H new ATOM 0 HD23 LEU B 10 69.917 1.300 -6.351 1.00 0.00 H new ATOM 1606 N ILE B 11 73.491 -1.282 -8.883 1.00 0.00 N ATOM 1607 CA ILE B 11 74.574 -2.069 -9.551 1.00 0.00 C ATOM 1608 C ILE B 11 74.850 -1.507 -10.948 1.00 0.00 C ATOM 1609 O ILE B 11 75.978 -1.243 -11.315 1.00 0.00 O ATOM 1610 CB ILE B 11 74.121 -3.522 -9.691 1.00 0.00 C ATOM 1611 CG1 ILE B 11 73.841 -4.114 -8.308 1.00 0.00 C ATOM 1612 CG2 ILE B 11 75.222 -4.335 -10.378 1.00 0.00 C ATOM 1613 CD1 ILE B 11 73.139 -5.462 -8.475 1.00 0.00 C ATOM 0 H ILE B 11 72.662 -1.816 -8.621 1.00 0.00 H new ATOM 0 HA ILE B 11 75.481 -2.007 -8.949 1.00 0.00 H new ATOM 0 HB ILE B 11 73.210 -3.558 -10.289 1.00 0.00 H new ATOM 0 HG12 ILE B 11 74.773 -4.241 -7.757 1.00 0.00 H new ATOM 0 HG13 ILE B 11 73.217 -3.434 -7.727 1.00 0.00 H new ATOM 0 HG21 ILE B 11 74.900 -5.372 -10.478 1.00 0.00 H new ATOM 0 HG22 ILE B 11 75.419 -3.919 -11.366 1.00 0.00 H new ATOM 0 HG23 ILE B 11 76.132 -4.294 -9.779 1.00 0.00 H new ATOM 0 HD11 ILE B 11 72.936 -5.891 -7.494 1.00 0.00 H new ATOM 0 HD12 ILE B 11 72.200 -5.319 -9.010 1.00 0.00 H new ATOM 0 HD13 ILE B 11 73.780 -6.138 -9.041 1.00 0.00 H new ATOM 1625 N ASP B 12 73.827 -1.342 -11.735 1.00 0.00 N ATOM 1626 CA ASP B 12 74.029 -0.824 -13.116 1.00 0.00 C ATOM 1627 C ASP B 12 74.672 0.559 -13.045 1.00 0.00 C ATOM 1628 O ASP B 12 75.548 0.893 -13.818 1.00 0.00 O ATOM 1629 CB ASP B 12 72.672 -0.716 -13.814 1.00 0.00 C ATOM 1630 CG ASP B 12 72.867 -0.191 -15.237 1.00 0.00 C ATOM 1631 OD1 ASP B 12 73.211 0.971 -15.378 1.00 0.00 O ATOM 1632 OD2 ASP B 12 72.667 -0.963 -16.161 1.00 0.00 O ATOM 0 H ASP B 12 72.859 -1.543 -11.483 1.00 0.00 H new ATOM 0 HA ASP B 12 74.677 -1.501 -13.674 1.00 0.00 H new ATOM 0 HB2 ASP B 12 72.186 -1.691 -13.839 1.00 0.00 H new ATOM 0 HB3 ASP B 12 72.017 -0.047 -13.256 1.00 0.00 H new ATOM 1637 N VAL B 13 74.243 1.361 -12.118 1.00 0.00 N ATOM 1638 CA VAL B 13 74.826 2.722 -11.978 1.00 0.00 C ATOM 1639 C VAL B 13 76.267 2.622 -11.456 1.00 0.00 C ATOM 1640 O VAL B 13 77.148 3.324 -11.898 1.00 0.00 O ATOM 1641 CB VAL B 13 73.964 3.538 -11.007 1.00 0.00 C ATOM 1642 CG1 VAL B 13 74.671 4.848 -10.651 1.00 0.00 C ATOM 1643 CG2 VAL B 13 72.620 3.857 -11.671 1.00 0.00 C ATOM 0 H VAL B 13 73.510 1.133 -11.447 1.00 0.00 H new ATOM 0 HA VAL B 13 74.844 3.217 -12.949 1.00 0.00 H new ATOM 0 HB VAL B 13 73.804 2.958 -10.098 1.00 0.00 H new ATOM 0 HG11 VAL B 13 74.051 5.420 -9.961 1.00 0.00 H new ATOM 0 HG12 VAL B 13 75.629 4.628 -10.180 1.00 0.00 H new ATOM 0 HG13 VAL B 13 74.837 5.430 -11.558 1.00 0.00 H new ATOM 0 HG21 VAL B 13 72.004 4.437 -10.984 1.00 0.00 H new ATOM 0 HG22 VAL B 13 72.791 4.433 -12.580 1.00 0.00 H new ATOM 0 HG23 VAL B 13 72.108 2.928 -11.921 1.00 0.00 H new ATOM 1653 N PHE B 14 76.512 1.761 -10.508 1.00 0.00 N ATOM 1654 CA PHE B 14 77.893 1.640 -9.948 1.00 0.00 C ATOM 1655 C PHE B 14 78.897 1.248 -11.036 1.00 0.00 C ATOM 1656 O PHE B 14 79.907 1.898 -11.224 1.00 0.00 O ATOM 1657 CB PHE B 14 77.885 0.550 -8.875 1.00 0.00 C ATOM 1658 CG PHE B 14 79.273 0.367 -8.305 1.00 0.00 C ATOM 1659 CD1 PHE B 14 80.171 -0.511 -8.926 1.00 0.00 C ATOM 1660 CD2 PHE B 14 79.659 1.061 -7.151 1.00 0.00 C ATOM 1661 CE1 PHE B 14 81.452 -0.692 -8.395 1.00 0.00 C ATOM 1662 CE2 PHE B 14 80.943 0.877 -6.618 1.00 0.00 C ATOM 1663 CZ PHE B 14 81.838 0.001 -7.241 1.00 0.00 C ATOM 0 H PHE B 14 75.819 1.136 -10.096 1.00 0.00 H new ATOM 0 HA PHE B 14 78.189 2.603 -9.532 1.00 0.00 H new ATOM 0 HB2 PHE B 14 77.190 0.818 -8.079 1.00 0.00 H new ATOM 0 HB3 PHE B 14 77.533 -0.389 -9.303 1.00 0.00 H new ATOM 0 HD1 PHE B 14 79.874 -1.048 -9.815 1.00 0.00 H new ATOM 0 HD2 PHE B 14 78.967 1.738 -6.672 1.00 0.00 H new ATOM 0 HE1 PHE B 14 82.145 -1.367 -8.876 1.00 0.00 H new ATOM 0 HE2 PHE B 14 81.240 1.411 -5.728 1.00 0.00 H new ATOM 0 HZ PHE B 14 82.827 -0.141 -6.832 1.00 0.00 H new ATOM 1673 N HIS B 15 78.657 0.164 -11.714 1.00 0.00 N ATOM 1674 CA HIS B 15 79.625 -0.308 -12.741 1.00 0.00 C ATOM 1675 C HIS B 15 79.827 0.734 -13.843 1.00 0.00 C ATOM 1676 O HIS B 15 80.931 0.921 -14.310 1.00 0.00 O ATOM 1677 CB HIS B 15 79.103 -1.613 -13.357 1.00 0.00 C ATOM 1678 CG HIS B 15 79.330 -2.759 -12.401 1.00 0.00 C ATOM 1679 ND1 HIS B 15 80.296 -3.731 -12.627 1.00 0.00 N ATOM 1680 CD2 HIS B 15 78.723 -3.103 -11.217 1.00 0.00 C ATOM 1681 CE1 HIS B 15 80.242 -4.605 -11.604 1.00 0.00 C ATOM 1682 NE2 HIS B 15 79.302 -4.267 -10.721 1.00 0.00 N ATOM 0 H HIS B 15 77.828 -0.419 -11.601 1.00 0.00 H new ATOM 0 HA HIS B 15 80.588 -0.474 -12.257 1.00 0.00 H new ATOM 0 HB2 HIS B 15 78.040 -1.520 -13.581 1.00 0.00 H new ATOM 0 HB3 HIS B 15 79.612 -1.809 -14.301 1.00 0.00 H new ATOM 0 HD2 HIS B 15 77.921 -2.555 -10.745 1.00 0.00 H new ATOM 0 HE1 HIS B 15 80.880 -5.471 -11.511 1.00 0.00 H new ATOM 0 HE2 HIS B 15 79.058 -4.759 -9.861 1.00 0.00 H new ATOM 1691 N GLN B 16 78.803 1.409 -14.292 1.00 0.00 N ATOM 1692 CA GLN B 16 79.018 2.406 -15.380 1.00 0.00 C ATOM 1693 C GLN B 16 79.890 3.565 -14.880 1.00 0.00 C ATOM 1694 O GLN B 16 80.752 4.051 -15.582 1.00 0.00 O ATOM 1695 CB GLN B 16 77.665 2.954 -15.847 1.00 0.00 C ATOM 1696 CG GLN B 16 77.887 3.940 -16.996 1.00 0.00 C ATOM 1697 CD GLN B 16 76.540 4.387 -17.568 1.00 0.00 C ATOM 1698 OE1 GLN B 16 75.508 3.842 -17.232 1.00 0.00 O ATOM 1699 NE2 GLN B 16 76.512 5.353 -18.444 1.00 0.00 N ATOM 0 H GLN B 16 77.843 1.316 -13.960 1.00 0.00 H new ATOM 0 HA GLN B 16 79.525 1.914 -16.210 1.00 0.00 H new ATOM 0 HB2 GLN B 16 77.022 2.137 -16.173 1.00 0.00 H new ATOM 0 HB3 GLN B 16 77.156 3.450 -15.021 1.00 0.00 H new ATOM 0 HG2 GLN B 16 78.446 4.806 -16.641 1.00 0.00 H new ATOM 0 HG3 GLN B 16 78.486 3.472 -17.777 1.00 0.00 H new ATOM 0 HE21 GLN B 16 77.379 5.811 -18.726 1.00 0.00 H new ATOM 0 HE22 GLN B 16 75.623 5.651 -18.847 1.00 0.00 H new ATOM 1708 N TYR B 17 79.674 4.002 -13.673 1.00 0.00 N ATOM 1709 CA TYR B 17 80.502 5.128 -13.136 1.00 0.00 C ATOM 1710 C TYR B 17 81.929 4.644 -12.852 1.00 0.00 C ATOM 1711 O TYR B 17 82.893 5.320 -13.155 1.00 0.00 O ATOM 1712 CB TYR B 17 79.854 5.694 -11.855 1.00 0.00 C ATOM 1713 CG TYR B 17 78.898 6.819 -12.209 1.00 0.00 C ATOM 1714 CD1 TYR B 17 79.371 8.134 -12.266 1.00 0.00 C ATOM 1715 CD2 TYR B 17 77.554 6.549 -12.489 1.00 0.00 C ATOM 1716 CE1 TYR B 17 78.499 9.180 -12.600 1.00 0.00 C ATOM 1717 CE2 TYR B 17 76.683 7.592 -12.822 1.00 0.00 C ATOM 1718 CZ TYR B 17 77.155 8.907 -12.877 1.00 0.00 C ATOM 1719 OH TYR B 17 76.297 9.936 -13.209 1.00 0.00 O ATOM 0 H TYR B 17 78.967 3.636 -13.035 1.00 0.00 H new ATOM 0 HA TYR B 17 80.550 5.923 -13.881 1.00 0.00 H new ATOM 0 HB2 TYR B 17 79.319 4.904 -11.329 1.00 0.00 H new ATOM 0 HB3 TYR B 17 80.626 6.061 -11.179 1.00 0.00 H new ATOM 0 HD1 TYR B 17 80.409 8.344 -12.053 1.00 0.00 H new ATOM 0 HD2 TYR B 17 77.188 5.534 -12.448 1.00 0.00 H new ATOM 0 HE1 TYR B 17 78.864 10.195 -12.643 1.00 0.00 H new ATOM 0 HE2 TYR B 17 75.646 7.381 -13.037 1.00 0.00 H new ATOM 0 HH TYR B 17 75.401 9.575 -13.372 1.00 0.00 H new ATOM 1729 N SER B 18 82.074 3.481 -12.284 1.00 0.00 N ATOM 1730 CA SER B 18 83.440 2.958 -11.990 1.00 0.00 C ATOM 1731 C SER B 18 84.113 2.524 -13.294 1.00 0.00 C ATOM 1732 O SER B 18 85.300 2.277 -13.337 1.00 0.00 O ATOM 1733 CB SER B 18 83.341 1.756 -11.048 1.00 0.00 C ATOM 1734 OG SER B 18 82.715 2.158 -9.838 1.00 0.00 O ATOM 0 H SER B 18 81.306 2.868 -12.010 1.00 0.00 H new ATOM 0 HA SER B 18 84.030 3.743 -11.516 1.00 0.00 H new ATOM 0 HB2 SER B 18 82.769 0.957 -11.519 1.00 0.00 H new ATOM 0 HB3 SER B 18 84.335 1.358 -10.842 1.00 0.00 H new ATOM 0 HG SER B 18 82.336 1.373 -9.389 1.00 0.00 H new ATOM 1740 N GLY B 19 83.360 2.418 -14.358 1.00 0.00 N ATOM 1741 CA GLY B 19 83.945 1.986 -15.665 1.00 0.00 C ATOM 1742 C GLY B 19 84.446 3.197 -16.461 1.00 0.00 C ATOM 1743 O GLY B 19 84.733 3.091 -17.637 1.00 0.00 O ATOM 0 H GLY B 19 82.359 2.613 -14.379 1.00 0.00 H new ATOM 0 HA2 GLY B 19 84.769 1.294 -15.489 1.00 0.00 H new ATOM 0 HA3 GLY B 19 83.195 1.448 -16.245 1.00 0.00 H new ATOM 1747 N ARG B 20 84.563 4.340 -15.845 1.00 0.00 N ATOM 1748 CA ARG B 20 85.056 5.534 -16.593 1.00 0.00 C ATOM 1749 C ARG B 20 86.535 5.339 -16.938 1.00 0.00 C ATOM 1750 O ARG B 20 86.987 5.684 -18.012 1.00 0.00 O ATOM 1751 CB ARG B 20 84.901 6.787 -15.722 1.00 0.00 C ATOM 1752 CG ARG B 20 83.414 7.116 -15.503 1.00 0.00 C ATOM 1753 CD ARG B 20 82.860 7.925 -16.682 1.00 0.00 C ATOM 1754 NE ARG B 20 83.287 9.346 -16.547 1.00 0.00 N ATOM 1755 CZ ARG B 20 82.834 10.244 -17.378 1.00 0.00 C ATOM 1756 NH1 ARG B 20 82.005 9.895 -18.323 1.00 0.00 N ATOM 1757 NH2 ARG B 20 83.209 11.489 -17.263 1.00 0.00 N ATOM 0 H ARG B 20 84.341 4.501 -14.863 1.00 0.00 H new ATOM 0 HA ARG B 20 84.476 5.654 -17.508 1.00 0.00 H new ATOM 0 HB2 ARG B 20 85.389 6.630 -14.760 1.00 0.00 H new ATOM 0 HB3 ARG B 20 85.399 7.631 -16.199 1.00 0.00 H new ATOM 0 HG2 ARG B 20 82.845 6.193 -15.389 1.00 0.00 H new ATOM 0 HG3 ARG B 20 83.293 7.681 -14.579 1.00 0.00 H new ATOM 0 HD2 ARG B 20 83.222 7.512 -17.624 1.00 0.00 H new ATOM 0 HD3 ARG B 20 81.772 7.860 -16.703 1.00 0.00 H new ATOM 0 HE ARG B 20 83.933 9.617 -15.805 1.00 0.00 H new ATOM 0 HH11 ARG B 20 81.712 8.922 -18.411 1.00 0.00 H new ATOM 0 HH12 ARG B 20 81.649 10.595 -18.974 1.00 0.00 H new ATOM 0 HH21 ARG B 20 83.857 11.760 -16.523 1.00 0.00 H new ATOM 0 HH22 ARG B 20 82.854 12.191 -17.913 1.00 0.00 H new ATOM 1771 N GLU B 21 87.291 4.789 -16.025 1.00 0.00 N ATOM 1772 CA GLU B 21 88.746 4.566 -16.275 1.00 0.00 C ATOM 1773 C GLU B 21 88.973 3.127 -16.747 1.00 0.00 C ATOM 1774 O GLU B 21 90.089 2.711 -16.979 1.00 0.00 O ATOM 1775 CB GLU B 21 89.530 4.809 -14.986 1.00 0.00 C ATOM 1776 CG GLU B 21 89.492 6.296 -14.637 1.00 0.00 C ATOM 1777 CD GLU B 21 90.308 6.539 -13.367 1.00 0.00 C ATOM 1778 OE1 GLU B 21 90.889 5.590 -12.870 1.00 0.00 O ATOM 1779 OE2 GLU B 21 90.337 7.671 -12.912 1.00 0.00 O ATOM 0 H GLU B 21 86.961 4.482 -15.110 1.00 0.00 H new ATOM 0 HA GLU B 21 89.089 5.257 -17.045 1.00 0.00 H new ATOM 0 HB2 GLU B 21 89.103 4.223 -14.172 1.00 0.00 H new ATOM 0 HB3 GLU B 21 90.562 4.480 -15.108 1.00 0.00 H new ATOM 0 HG2 GLU B 21 89.896 6.885 -15.461 1.00 0.00 H new ATOM 0 HG3 GLU B 21 88.462 6.620 -14.489 1.00 0.00 H new ATOM 1786 N GLY B 22 87.921 2.365 -16.890 1.00 0.00 N ATOM 1787 CA GLY B 22 88.072 0.953 -17.349 1.00 0.00 C ATOM 1788 C GLY B 22 88.255 0.037 -16.137 1.00 0.00 C ATOM 1789 O GLY B 22 88.204 -1.172 -16.250 1.00 0.00 O ATOM 0 H GLY B 22 86.962 2.660 -16.708 1.00 0.00 H new ATOM 0 HA2 GLY B 22 87.194 0.649 -17.918 1.00 0.00 H new ATOM 0 HA3 GLY B 22 88.930 0.866 -18.016 1.00 0.00 H new ATOM 1793 N ASP B 23 88.467 0.603 -14.973 1.00 0.00 N ATOM 1794 CA ASP B 23 88.653 -0.234 -13.746 1.00 0.00 C ATOM 1795 C ASP B 23 87.336 -0.295 -12.966 1.00 0.00 C ATOM 1796 O ASP B 23 86.931 0.659 -12.332 1.00 0.00 O ATOM 1797 CB ASP B 23 89.736 0.390 -12.864 1.00 0.00 C ATOM 1798 CG ASP B 23 89.309 1.800 -12.452 1.00 0.00 C ATOM 1799 OD1 ASP B 23 88.399 2.326 -13.071 1.00 0.00 O ATOM 1800 OD2 ASP B 23 89.898 2.330 -11.524 1.00 0.00 O ATOM 0 H ASP B 23 88.519 1.610 -14.820 1.00 0.00 H new ATOM 0 HA ASP B 23 88.953 -1.241 -14.035 1.00 0.00 H new ATOM 0 HB2 ASP B 23 89.898 -0.225 -11.979 1.00 0.00 H new ATOM 0 HB3 ASP B 23 90.682 0.428 -13.404 1.00 0.00 H new ATOM 1805 N LYS B 24 86.667 -1.413 -13.008 1.00 0.00 N ATOM 1806 CA LYS B 24 85.372 -1.552 -12.271 1.00 0.00 C ATOM 1807 C LYS B 24 85.628 -2.145 -10.882 1.00 0.00 C ATOM 1808 O LYS B 24 86.515 -2.952 -10.706 1.00 0.00 O ATOM 1809 CB LYS B 24 84.451 -2.489 -13.051 1.00 0.00 C ATOM 1810 CG LYS B 24 84.032 -1.826 -14.363 1.00 0.00 C ATOM 1811 CD LYS B 24 83.110 -2.769 -15.135 1.00 0.00 C ATOM 1812 CE LYS B 24 82.712 -2.122 -16.462 1.00 0.00 C ATOM 1813 NZ LYS B 24 83.925 -1.957 -17.311 1.00 0.00 N ATOM 0 H LYS B 24 86.960 -2.243 -13.523 1.00 0.00 H new ATOM 0 HA LYS B 24 84.908 -0.571 -12.167 1.00 0.00 H new ATOM 0 HB2 LYS B 24 84.962 -3.430 -13.255 1.00 0.00 H new ATOM 0 HB3 LYS B 24 83.570 -2.727 -12.455 1.00 0.00 H new ATOM 0 HG2 LYS B 24 83.521 -0.885 -14.161 1.00 0.00 H new ATOM 0 HG3 LYS B 24 84.912 -1.589 -14.961 1.00 0.00 H new ATOM 0 HD2 LYS B 24 83.614 -3.718 -15.318 1.00 0.00 H new ATOM 0 HD3 LYS B 24 82.221 -2.989 -14.545 1.00 0.00 H new ATOM 0 HE2 LYS B 24 81.976 -2.741 -16.975 1.00 0.00 H new ATOM 0 HE3 LYS B 24 82.245 -1.154 -16.282 1.00 0.00 H new ATOM 0 HZ1 LYS B 24 83.640 -1.845 -18.305 1.00 0.00 H new ATOM 0 HZ2 LYS B 24 84.451 -1.114 -17.004 1.00 0.00 H new ATOM 0 HZ3 LYS B 24 84.531 -2.797 -17.217 1.00 0.00 H new ATOM 1827 N HIS B 25 84.854 -1.749 -9.900 1.00 0.00 N ATOM 1828 CA HIS B 25 85.030 -2.280 -8.514 1.00 0.00 C ATOM 1829 C HIS B 25 86.265 -1.651 -7.867 1.00 0.00 C ATOM 1830 O HIS B 25 86.922 -2.247 -7.036 1.00 0.00 O ATOM 1831 CB HIS B 25 85.173 -3.807 -8.577 1.00 0.00 C ATOM 1832 CG HIS B 25 84.719 -4.426 -7.281 1.00 0.00 C ATOM 1833 ND1 HIS B 25 85.606 -4.729 -6.258 1.00 0.00 N ATOM 1834 CD2 HIS B 25 83.480 -4.815 -6.833 1.00 0.00 C ATOM 1835 CE1 HIS B 25 84.896 -5.276 -5.254 1.00 0.00 C ATOM 1836 NE2 HIS B 25 83.598 -5.349 -5.557 1.00 0.00 N ATOM 0 H HIS B 25 84.098 -1.072 -10.003 1.00 0.00 H new ATOM 0 HA HIS B 25 84.160 -2.026 -7.908 1.00 0.00 H new ATOM 0 HB2 HIS B 25 84.582 -4.201 -9.403 1.00 0.00 H new ATOM 0 HB3 HIS B 25 86.211 -4.075 -8.772 1.00 0.00 H new ATOM 0 HD2 HIS B 25 82.558 -4.720 -7.387 1.00 0.00 H new ATOM 0 HE1 HIS B 25 85.323 -5.613 -4.321 1.00 0.00 H new ATOM 0 HE2 HIS B 25 82.849 -5.720 -4.973 1.00 0.00 H new ATOM 1845 N LYS B 26 86.567 -0.439 -8.234 1.00 0.00 N ATOM 1846 CA LYS B 26 87.738 0.261 -7.641 1.00 0.00 C ATOM 1847 C LYS B 26 87.535 1.766 -7.829 1.00 0.00 C ATOM 1848 O LYS B 26 87.728 2.295 -8.906 1.00 0.00 O ATOM 1849 CB LYS B 26 89.009 -0.204 -8.351 1.00 0.00 C ATOM 1850 CG LYS B 26 90.235 0.319 -7.611 1.00 0.00 C ATOM 1851 CD LYS B 26 91.498 -0.158 -8.329 1.00 0.00 C ATOM 1852 CE LYS B 26 92.729 0.299 -7.549 1.00 0.00 C ATOM 1853 NZ LYS B 26 92.772 1.787 -7.527 1.00 0.00 N ATOM 0 H LYS B 26 86.048 0.102 -8.926 1.00 0.00 H new ATOM 0 HA LYS B 26 87.833 0.036 -6.579 1.00 0.00 H new ATOM 0 HB2 LYS B 26 89.035 -1.293 -8.393 1.00 0.00 H new ATOM 0 HB3 LYS B 26 89.014 0.155 -9.380 1.00 0.00 H new ATOM 0 HG2 LYS B 26 90.214 1.408 -7.572 1.00 0.00 H new ATOM 0 HG3 LYS B 26 90.232 -0.037 -6.581 1.00 0.00 H new ATOM 0 HD2 LYS B 26 91.492 -1.245 -8.416 1.00 0.00 H new ATOM 0 HD3 LYS B 26 91.527 0.243 -9.342 1.00 0.00 H new ATOM 0 HE2 LYS B 26 92.694 -0.091 -6.532 1.00 0.00 H new ATOM 0 HE3 LYS B 26 93.634 -0.096 -8.011 1.00 0.00 H new ATOM 0 HZ1 LYS B 26 92.979 2.114 -6.562 1.00 0.00 H new ATOM 0 HZ2 LYS B 26 93.515 2.122 -8.173 1.00 0.00 H new ATOM 0 HZ3 LYS B 26 91.852 2.165 -7.831 1.00 0.00 H new ATOM 1867 N LEU B 27 87.110 2.460 -6.797 1.00 0.00 N ATOM 1868 CA LEU B 27 86.849 3.930 -6.931 1.00 0.00 C ATOM 1869 C LEU B 27 88.013 4.755 -6.367 1.00 0.00 C ATOM 1870 O LEU B 27 88.344 4.679 -5.201 1.00 0.00 O ATOM 1871 CB LEU B 27 85.566 4.272 -6.161 1.00 0.00 C ATOM 1872 CG LEU B 27 84.329 3.945 -7.003 1.00 0.00 C ATOM 1873 CD1 LEU B 27 84.228 2.431 -7.209 1.00 0.00 C ATOM 1874 CD2 LEU B 27 83.086 4.443 -6.264 1.00 0.00 C ATOM 0 H LEU B 27 86.933 2.072 -5.870 1.00 0.00 H new ATOM 0 HA LEU B 27 86.742 4.173 -7.988 1.00 0.00 H new ATOM 0 HB2 LEU B 27 85.536 3.711 -5.227 1.00 0.00 H new ATOM 0 HB3 LEU B 27 85.564 5.330 -5.898 1.00 0.00 H new ATOM 0 HG LEU B 27 84.406 4.432 -7.975 1.00 0.00 H new ATOM 0 HD11 LEU B 27 83.347 2.203 -7.808 1.00 0.00 H new ATOM 0 HD12 LEU B 27 85.120 2.074 -7.724 1.00 0.00 H new ATOM 0 HD13 LEU B 27 84.146 1.937 -6.241 1.00 0.00 H new ATOM 0 HD21 LEU B 27 82.197 4.216 -6.853 1.00 0.00 H new ATOM 0 HD22 LEU B 27 83.016 3.948 -5.296 1.00 0.00 H new ATOM 0 HD23 LEU B 27 83.158 5.520 -6.116 1.00 0.00 H new ATOM 1886 N LYS B 28 88.605 5.572 -7.197 1.00 0.00 N ATOM 1887 CA LYS B 28 89.723 6.451 -6.743 1.00 0.00 C ATOM 1888 C LYS B 28 89.150 7.794 -6.292 1.00 0.00 C ATOM 1889 O LYS B 28 88.021 8.123 -6.586 1.00 0.00 O ATOM 1890 CB LYS B 28 90.706 6.676 -7.891 1.00 0.00 C ATOM 1891 CG LYS B 28 91.464 5.381 -8.177 1.00 0.00 C ATOM 1892 CD LYS B 28 92.447 5.611 -9.327 1.00 0.00 C ATOM 1893 CE LYS B 28 93.207 4.317 -9.612 1.00 0.00 C ATOM 1894 NZ LYS B 28 92.250 3.261 -10.045 1.00 0.00 N ATOM 0 H LYS B 28 88.359 5.669 -8.182 1.00 0.00 H new ATOM 0 HA LYS B 28 90.247 5.974 -5.914 1.00 0.00 H new ATOM 0 HB2 LYS B 28 90.171 7.001 -8.783 1.00 0.00 H new ATOM 0 HB3 LYS B 28 91.407 7.470 -7.633 1.00 0.00 H new ATOM 0 HG2 LYS B 28 92.000 5.056 -7.285 1.00 0.00 H new ATOM 0 HG3 LYS B 28 90.764 4.586 -8.436 1.00 0.00 H new ATOM 0 HD2 LYS B 28 91.911 5.935 -10.219 1.00 0.00 H new ATOM 0 HD3 LYS B 28 93.146 6.407 -9.069 1.00 0.00 H new ATOM 0 HE2 LYS B 28 93.954 4.485 -10.388 1.00 0.00 H new ATOM 0 HE3 LYS B 28 93.742 3.993 -8.719 1.00 0.00 H new ATOM 0 HZ1 LYS B 28 92.745 2.349 -10.108 1.00 0.00 H new ATOM 0 HZ2 LYS B 28 91.477 3.189 -9.353 1.00 0.00 H new ATOM 0 HZ3 LYS B 28 91.859 3.508 -10.977 1.00 0.00 H new ATOM 1908 N LYS B 29 89.915 8.568 -5.576 1.00 0.00 N ATOM 1909 CA LYS B 29 89.407 9.885 -5.099 1.00 0.00 C ATOM 1910 C LYS B 29 88.954 10.730 -6.297 1.00 0.00 C ATOM 1911 O LYS B 29 87.957 11.421 -6.239 1.00 0.00 O ATOM 1912 CB LYS B 29 90.517 10.612 -4.337 1.00 0.00 C ATOM 1913 CG LYS B 29 91.681 10.921 -5.283 1.00 0.00 C ATOM 1914 CD LYS B 29 92.861 11.458 -4.471 1.00 0.00 C ATOM 1915 CE LYS B 29 93.969 11.929 -5.416 1.00 0.00 C ATOM 1916 NZ LYS B 29 94.595 10.749 -6.077 1.00 0.00 N ATOM 0 H LYS B 29 90.871 8.346 -5.300 1.00 0.00 H new ATOM 0 HA LYS B 29 88.557 9.729 -4.435 1.00 0.00 H new ATOM 0 HB2 LYS B 29 90.130 11.536 -3.908 1.00 0.00 H new ATOM 0 HB3 LYS B 29 90.864 9.996 -3.507 1.00 0.00 H new ATOM 0 HG2 LYS B 29 91.975 10.021 -5.823 1.00 0.00 H new ATOM 0 HG3 LYS B 29 91.374 11.654 -6.029 1.00 0.00 H new ATOM 0 HD2 LYS B 29 92.534 12.284 -3.839 1.00 0.00 H new ATOM 0 HD3 LYS B 29 93.242 10.681 -3.808 1.00 0.00 H new ATOM 0 HE2 LYS B 29 93.558 12.604 -6.167 1.00 0.00 H new ATOM 0 HE3 LYS B 29 94.721 12.489 -4.861 1.00 0.00 H new ATOM 0 HZ1 LYS B 29 95.442 11.052 -6.599 1.00 0.00 H new ATOM 0 HZ2 LYS B 29 94.864 10.049 -5.356 1.00 0.00 H new ATOM 0 HZ3 LYS B 29 93.916 10.321 -6.738 1.00 0.00 H new ATOM 1930 N SER B 30 89.672 10.678 -7.384 1.00 0.00 N ATOM 1931 CA SER B 30 89.268 11.472 -8.579 1.00 0.00 C ATOM 1932 C SER B 30 87.879 11.018 -9.038 1.00 0.00 C ATOM 1933 O SER B 30 87.073 11.801 -9.500 1.00 0.00 O ATOM 1934 CB SER B 30 90.285 11.255 -9.700 1.00 0.00 C ATOM 1935 OG SER B 30 90.187 9.919 -10.172 1.00 0.00 O ATOM 0 H SER B 30 90.519 10.122 -7.497 1.00 0.00 H new ATOM 0 HA SER B 30 89.236 12.532 -8.327 1.00 0.00 H new ATOM 0 HB2 SER B 30 90.100 11.955 -10.515 1.00 0.00 H new ATOM 0 HB3 SER B 30 91.293 11.451 -9.335 1.00 0.00 H new ATOM 0 HG SER B 30 90.837 9.778 -10.892 1.00 0.00 H new ATOM 1941 N GLU B 31 87.597 9.754 -8.892 1.00 0.00 N ATOM 1942 CA GLU B 31 86.258 9.236 -9.291 1.00 0.00 C ATOM 1943 C GLU B 31 85.210 9.722 -8.283 1.00 0.00 C ATOM 1944 O GLU B 31 84.060 9.930 -8.614 1.00 0.00 O ATOM 1945 CB GLU B 31 86.274 7.708 -9.321 1.00 0.00 C ATOM 1946 CG GLU B 31 87.130 7.227 -10.493 1.00 0.00 C ATOM 1947 CD GLU B 31 87.069 5.702 -10.578 1.00 0.00 C ATOM 1948 OE1 GLU B 31 86.148 5.135 -10.016 1.00 0.00 O ATOM 1949 OE2 GLU B 31 87.941 5.126 -11.207 1.00 0.00 O ATOM 0 H GLU B 31 88.237 9.056 -8.513 1.00 0.00 H new ATOM 0 HA GLU B 31 86.010 9.604 -10.286 1.00 0.00 H new ATOM 0 HB2 GLU B 31 86.672 7.320 -8.383 1.00 0.00 H new ATOM 0 HB3 GLU B 31 85.258 7.325 -9.418 1.00 0.00 H new ATOM 0 HG2 GLU B 31 86.772 7.668 -11.423 1.00 0.00 H new ATOM 0 HG3 GLU B 31 88.162 7.553 -10.361 1.00 0.00 H new ATOM 1956 N LEU B 32 85.610 9.905 -7.051 1.00 0.00 N ATOM 1957 CA LEU B 32 84.649 10.381 -6.010 1.00 0.00 C ATOM 1958 C LEU B 32 84.202 11.811 -6.344 1.00 0.00 C ATOM 1959 O LEU B 32 83.050 12.167 -6.197 1.00 0.00 O ATOM 1960 CB LEU B 32 85.331 10.374 -4.619 1.00 0.00 C ATOM 1961 CG LEU B 32 85.094 9.051 -3.861 1.00 0.00 C ATOM 1962 CD1 LEU B 32 83.713 9.069 -3.190 1.00 0.00 C ATOM 1963 CD2 LEU B 32 85.209 7.837 -4.803 1.00 0.00 C ATOM 0 H LEU B 32 86.562 9.745 -6.720 1.00 0.00 H new ATOM 0 HA LEU B 32 83.785 9.717 -5.992 1.00 0.00 H new ATOM 0 HB2 LEU B 32 86.402 10.534 -4.741 1.00 0.00 H new ATOM 0 HB3 LEU B 32 84.950 11.205 -4.025 1.00 0.00 H new ATOM 0 HG LEU B 32 85.865 8.958 -3.096 1.00 0.00 H new ATOM 0 HD11 LEU B 32 83.555 8.131 -2.658 1.00 0.00 H new ATOM 0 HD12 LEU B 32 83.662 9.899 -2.486 1.00 0.00 H new ATOM 0 HD13 LEU B 32 82.941 9.189 -3.950 1.00 0.00 H new ATOM 0 HD21 LEU B 32 85.037 6.921 -4.238 1.00 0.00 H new ATOM 0 HD22 LEU B 32 84.465 7.920 -5.596 1.00 0.00 H new ATOM 0 HD23 LEU B 32 86.206 7.810 -5.242 1.00 0.00 H new ATOM 1975 N LYS B 33 85.115 12.638 -6.765 1.00 0.00 N ATOM 1976 CA LYS B 33 84.753 14.054 -7.079 1.00 0.00 C ATOM 1977 C LYS B 33 83.765 14.102 -8.255 1.00 0.00 C ATOM 1978 O LYS B 33 82.783 14.814 -8.222 1.00 0.00 O ATOM 1979 CB LYS B 33 86.031 14.840 -7.429 1.00 0.00 C ATOM 1980 CG LYS B 33 85.857 16.326 -7.077 1.00 0.00 C ATOM 1981 CD LYS B 33 84.721 16.943 -7.905 1.00 0.00 C ATOM 1982 CE LYS B 33 84.914 18.461 -8.003 1.00 0.00 C ATOM 1983 NZ LYS B 33 84.938 19.049 -6.634 1.00 0.00 N ATOM 0 H LYS B 33 86.096 12.399 -6.906 1.00 0.00 H new ATOM 0 HA LYS B 33 84.276 14.505 -6.209 1.00 0.00 H new ATOM 0 HB2 LYS B 33 86.880 14.427 -6.884 1.00 0.00 H new ATOM 0 HB3 LYS B 33 86.252 14.734 -8.491 1.00 0.00 H new ATOM 0 HG2 LYS B 33 85.639 16.431 -6.014 1.00 0.00 H new ATOM 0 HG3 LYS B 33 86.787 16.862 -7.267 1.00 0.00 H new ATOM 0 HD2 LYS B 33 84.706 16.504 -8.903 1.00 0.00 H new ATOM 0 HD3 LYS B 33 83.759 16.719 -7.444 1.00 0.00 H new ATOM 0 HE2 LYS B 33 85.845 18.687 -8.524 1.00 0.00 H new ATOM 0 HE3 LYS B 33 84.107 18.904 -8.586 1.00 0.00 H new ATOM 0 HZ1 LYS B 33 84.550 20.014 -6.664 1.00 0.00 H new ATOM 0 HZ2 LYS B 33 84.363 18.464 -5.995 1.00 0.00 H new ATOM 0 HZ3 LYS B 33 85.918 19.080 -6.287 1.00 0.00 H new ATOM 1997 N GLU B 34 84.013 13.353 -9.294 1.00 0.00 N ATOM 1998 CA GLU B 34 83.077 13.381 -10.458 1.00 0.00 C ATOM 1999 C GLU B 34 81.742 12.750 -10.063 1.00 0.00 C ATOM 2000 O GLU B 34 80.684 13.234 -10.410 1.00 0.00 O ATOM 2001 CB GLU B 34 83.685 12.589 -11.616 1.00 0.00 C ATOM 2002 CG GLU B 34 84.884 13.351 -12.182 1.00 0.00 C ATOM 2003 CD GLU B 34 85.504 12.549 -13.328 1.00 0.00 C ATOM 2004 OE1 GLU B 34 85.114 11.408 -13.505 1.00 0.00 O ATOM 2005 OE2 GLU B 34 86.359 13.091 -14.008 1.00 0.00 O ATOM 0 H GLU B 34 84.814 12.728 -9.389 1.00 0.00 H new ATOM 0 HA GLU B 34 82.913 14.415 -10.763 1.00 0.00 H new ATOM 0 HB2 GLU B 34 83.997 11.603 -11.272 1.00 0.00 H new ATOM 0 HB3 GLU B 34 82.939 12.433 -12.395 1.00 0.00 H new ATOM 0 HG2 GLU B 34 84.569 14.332 -12.539 1.00 0.00 H new ATOM 0 HG3 GLU B 34 85.624 13.519 -11.399 1.00 0.00 H new ATOM 2012 N LEU B 35 81.790 11.663 -9.351 1.00 0.00 N ATOM 2013 CA LEU B 35 80.535 10.972 -8.937 1.00 0.00 C ATOM 2014 C LEU B 35 79.672 11.914 -8.090 1.00 0.00 C ATOM 2015 O LEU B 35 78.486 12.058 -8.319 1.00 0.00 O ATOM 2016 CB LEU B 35 80.909 9.731 -8.118 1.00 0.00 C ATOM 2017 CG LEU B 35 79.651 8.972 -7.662 1.00 0.00 C ATOM 2018 CD1 LEU B 35 78.919 8.382 -8.879 1.00 0.00 C ATOM 2019 CD2 LEU B 35 80.067 7.836 -6.719 1.00 0.00 C ATOM 0 H LEU B 35 82.651 11.217 -9.034 1.00 0.00 H new ATOM 0 HA LEU B 35 79.965 10.679 -9.819 1.00 0.00 H new ATOM 0 HB2 LEU B 35 81.539 9.072 -8.716 1.00 0.00 H new ATOM 0 HB3 LEU B 35 81.494 10.028 -7.248 1.00 0.00 H new ATOM 0 HG LEU B 35 78.982 9.661 -7.146 1.00 0.00 H new ATOM 0 HD11 LEU B 35 78.030 7.847 -8.545 1.00 0.00 H new ATOM 0 HD12 LEU B 35 78.626 9.187 -9.553 1.00 0.00 H new ATOM 0 HD13 LEU B 35 79.581 7.693 -9.403 1.00 0.00 H new ATOM 0 HD21 LEU B 35 79.181 7.293 -6.391 1.00 0.00 H new ATOM 0 HD22 LEU B 35 80.737 7.155 -7.243 1.00 0.00 H new ATOM 0 HD23 LEU B 35 80.579 8.252 -5.852 1.00 0.00 H new ATOM 2031 N ILE B 36 80.254 12.539 -7.103 1.00 0.00 N ATOM 2032 CA ILE B 36 79.469 13.455 -6.226 1.00 0.00 C ATOM 2033 C ILE B 36 78.858 14.594 -7.055 1.00 0.00 C ATOM 2034 O ILE B 36 77.692 14.912 -6.923 1.00 0.00 O ATOM 2035 CB ILE B 36 80.399 14.032 -5.153 1.00 0.00 C ATOM 2036 CG1 ILE B 36 80.841 12.910 -4.209 1.00 0.00 C ATOM 2037 CG2 ILE B 36 79.663 15.102 -4.343 1.00 0.00 C ATOM 2038 CD1 ILE B 36 81.986 13.407 -3.324 1.00 0.00 C ATOM 0 H ILE B 36 81.242 12.455 -6.865 1.00 0.00 H new ATOM 0 HA ILE B 36 78.659 12.899 -5.754 1.00 0.00 H new ATOM 0 HB ILE B 36 81.268 14.478 -5.637 1.00 0.00 H new ATOM 0 HG12 ILE B 36 80.003 12.589 -3.591 1.00 0.00 H new ATOM 0 HG13 ILE B 36 81.163 12.042 -4.785 1.00 0.00 H new ATOM 0 HG21 ILE B 36 80.331 15.507 -3.583 1.00 0.00 H new ATOM 0 HG22 ILE B 36 79.341 15.904 -5.007 1.00 0.00 H new ATOM 0 HG23 ILE B 36 78.792 14.658 -3.861 1.00 0.00 H new ATOM 0 HD11 ILE B 36 82.300 12.608 -2.652 1.00 0.00 H new ATOM 0 HD12 ILE B 36 82.827 13.706 -3.950 1.00 0.00 H new ATOM 0 HD13 ILE B 36 81.648 14.262 -2.738 1.00 0.00 H new ATOM 2050 N ASN B 37 79.635 15.225 -7.892 1.00 0.00 N ATOM 2051 CA ASN B 37 79.096 16.357 -8.706 1.00 0.00 C ATOM 2052 C ASN B 37 77.940 15.891 -9.599 1.00 0.00 C ATOM 2053 O ASN B 37 76.950 16.578 -9.749 1.00 0.00 O ATOM 2054 CB ASN B 37 80.211 16.922 -9.592 1.00 0.00 C ATOM 2055 CG ASN B 37 79.660 18.082 -10.422 1.00 0.00 C ATOM 2056 OD1 ASN B 37 78.628 18.637 -10.100 1.00 0.00 O ATOM 2057 ND2 ASN B 37 80.307 18.476 -11.485 1.00 0.00 N ATOM 0 H ASN B 37 80.619 15.008 -8.049 1.00 0.00 H new ATOM 0 HA ASN B 37 78.726 17.123 -8.024 1.00 0.00 H new ATOM 0 HB2 ASN B 37 81.043 17.264 -8.976 1.00 0.00 H new ATOM 0 HB3 ASN B 37 80.600 16.143 -10.248 1.00 0.00 H new ATOM 0 HD21 ASN B 37 79.946 19.249 -12.044 1.00 0.00 H new ATOM 0 HD22 ASN B 37 81.173 18.011 -11.756 1.00 0.00 H new ATOM 2064 N ASN B 38 78.059 14.742 -10.204 1.00 0.00 N ATOM 2065 CA ASN B 38 76.964 14.251 -11.098 1.00 0.00 C ATOM 2066 C ASN B 38 75.744 13.816 -10.281 1.00 0.00 C ATOM 2067 O ASN B 38 74.613 14.054 -10.655 1.00 0.00 O ATOM 2068 CB ASN B 38 77.466 13.041 -11.888 1.00 0.00 C ATOM 2069 CG ASN B 38 78.516 13.480 -12.909 1.00 0.00 C ATOM 2070 OD1 ASN B 38 79.582 12.902 -12.981 1.00 0.00 O ATOM 2071 ND2 ASN B 38 78.262 14.479 -13.708 1.00 0.00 N ATOM 0 H ASN B 38 78.864 14.121 -10.121 1.00 0.00 H new ATOM 0 HA ASN B 38 76.678 15.063 -11.766 1.00 0.00 H new ATOM 0 HB2 ASN B 38 77.894 12.305 -11.208 1.00 0.00 H new ATOM 0 HB3 ASN B 38 76.632 12.558 -12.397 1.00 0.00 H new ATOM 0 HD21 ASN B 38 78.958 14.774 -14.393 1.00 0.00 H new ATOM 0 HD22 ASN B 38 77.367 14.965 -13.648 1.00 0.00 H new ATOM 2078 N GLU B 39 75.973 13.138 -9.191 1.00 0.00 N ATOM 2079 CA GLU B 39 74.836 12.627 -8.368 1.00 0.00 C ATOM 2080 C GLU B 39 74.374 13.671 -7.350 1.00 0.00 C ATOM 2081 O GLU B 39 73.331 14.274 -7.500 1.00 0.00 O ATOM 2082 CB GLU B 39 75.280 11.364 -7.631 1.00 0.00 C ATOM 2083 CG GLU B 39 75.483 10.234 -8.643 1.00 0.00 C ATOM 2084 CD GLU B 39 75.928 8.967 -7.911 1.00 0.00 C ATOM 2085 OE1 GLU B 39 76.228 9.063 -6.730 1.00 0.00 O ATOM 2086 OE2 GLU B 39 75.965 7.923 -8.541 1.00 0.00 O ATOM 0 H GLU B 39 76.901 12.914 -8.832 1.00 0.00 H new ATOM 0 HA GLU B 39 74.001 12.406 -9.033 1.00 0.00 H new ATOM 0 HB2 GLU B 39 76.206 11.552 -7.088 1.00 0.00 H new ATOM 0 HB3 GLU B 39 74.531 11.077 -6.893 1.00 0.00 H new ATOM 0 HG2 GLU B 39 74.556 10.047 -9.186 1.00 0.00 H new ATOM 0 HG3 GLU B 39 76.232 10.522 -9.381 1.00 0.00 H new ATOM 2093 N LEU B 40 75.118 13.870 -6.299 1.00 0.00 N ATOM 2094 CA LEU B 40 74.689 14.852 -5.261 1.00 0.00 C ATOM 2095 C LEU B 40 75.069 16.274 -5.675 1.00 0.00 C ATOM 2096 O LEU B 40 76.227 16.592 -5.866 1.00 0.00 O ATOM 2097 CB LEU B 40 75.372 14.506 -3.929 1.00 0.00 C ATOM 2098 CG LEU B 40 74.604 13.384 -3.224 1.00 0.00 C ATOM 2099 CD1 LEU B 40 74.671 12.101 -4.062 1.00 0.00 C ATOM 2100 CD2 LEU B 40 75.233 13.134 -1.852 1.00 0.00 C ATOM 0 H LEU B 40 76.003 13.398 -6.112 1.00 0.00 H new ATOM 0 HA LEU B 40 73.606 14.801 -5.151 1.00 0.00 H new ATOM 0 HB2 LEU B 40 76.402 14.197 -4.108 1.00 0.00 H new ATOM 0 HB3 LEU B 40 75.411 15.389 -3.290 1.00 0.00 H new ATOM 0 HG LEU B 40 73.561 13.676 -3.104 1.00 0.00 H new ATOM 0 HD11 LEU B 40 74.123 11.307 -3.555 1.00 0.00 H new ATOM 0 HD12 LEU B 40 74.226 12.282 -5.040 1.00 0.00 H new ATOM 0 HD13 LEU B 40 75.712 11.802 -4.186 1.00 0.00 H new ATOM 0 HD21 LEU B 40 74.692 12.336 -1.343 1.00 0.00 H new ATOM 0 HD22 LEU B 40 76.276 12.842 -1.977 1.00 0.00 H new ATOM 0 HD23 LEU B 40 75.180 14.045 -1.256 1.00 0.00 H new ATOM 2112 N SER B 41 74.091 17.137 -5.792 1.00 0.00 N ATOM 2113 CA SER B 41 74.357 18.560 -6.163 1.00 0.00 C ATOM 2114 C SER B 41 73.608 19.468 -5.185 1.00 0.00 C ATOM 2115 O SER B 41 74.199 20.257 -4.476 1.00 0.00 O ATOM 2116 CB SER B 41 73.865 18.815 -7.587 1.00 0.00 C ATOM 2117 OG SER B 41 72.486 18.484 -7.675 1.00 0.00 O ATOM 0 H SER B 41 73.107 16.912 -5.644 1.00 0.00 H new ATOM 0 HA SER B 41 75.426 18.767 -6.115 1.00 0.00 H new ATOM 0 HB2 SER B 41 74.017 19.861 -7.855 1.00 0.00 H new ATOM 0 HB3 SER B 41 74.440 18.218 -8.295 1.00 0.00 H new ATOM 0 HG SER B 41 72.168 18.648 -8.587 1.00 0.00 H new ATOM 2123 N HIS B 42 72.308 19.352 -5.130 1.00 0.00 N ATOM 2124 CA HIS B 42 71.519 20.196 -4.186 1.00 0.00 C ATOM 2125 C HIS B 42 71.565 19.568 -2.793 1.00 0.00 C ATOM 2126 O HIS B 42 71.148 20.163 -1.816 1.00 0.00 O ATOM 2127 CB HIS B 42 70.068 20.280 -4.664 1.00 0.00 C ATOM 2128 CG HIS B 42 70.028 20.931 -6.017 1.00 0.00 C ATOM 2129 ND1 HIS B 42 70.204 22.298 -6.187 1.00 0.00 N ATOM 2130 CD2 HIS B 42 69.842 20.417 -7.276 1.00 0.00 C ATOM 2131 CE1 HIS B 42 70.124 22.555 -7.505 1.00 0.00 C ATOM 2132 NE2 HIS B 42 69.905 21.443 -8.209 1.00 0.00 N ATOM 0 H HIS B 42 71.758 18.708 -5.699 1.00 0.00 H new ATOM 0 HA HIS B 42 71.943 21.199 -4.149 1.00 0.00 H new ATOM 0 HB2 HIS B 42 69.631 19.283 -4.715 1.00 0.00 H new ATOM 0 HB3 HIS B 42 69.472 20.853 -3.954 1.00 0.00 H new ATOM 0 HD2 HIS B 42 69.673 19.375 -7.505 1.00 0.00 H new ATOM 0 HE1 HIS B 42 70.225 23.539 -7.939 1.00 0.00 H new ATOM 0 HE2 HIS B 42 69.805 21.363 -9.221 1.00 0.00 H new ATOM 2141 N PHE B 43 72.053 18.356 -2.696 1.00 0.00 N ATOM 2142 CA PHE B 43 72.110 17.667 -1.370 1.00 0.00 C ATOM 2143 C PHE B 43 73.515 17.788 -0.779 1.00 0.00 C ATOM 2144 O PHE B 43 73.779 17.319 0.309 1.00 0.00 O ATOM 2145 CB PHE B 43 71.773 16.186 -1.555 1.00 0.00 C ATOM 2146 CG PHE B 43 70.315 16.039 -1.921 1.00 0.00 C ATOM 2147 CD1 PHE B 43 69.351 15.910 -0.915 1.00 0.00 C ATOM 2148 CD2 PHE B 43 69.926 16.040 -3.266 1.00 0.00 C ATOM 2149 CE1 PHE B 43 67.999 15.779 -1.254 1.00 0.00 C ATOM 2150 CE2 PHE B 43 68.574 15.910 -3.605 1.00 0.00 C ATOM 2151 CZ PHE B 43 67.611 15.779 -2.600 1.00 0.00 C ATOM 0 H PHE B 43 72.415 17.813 -3.480 1.00 0.00 H new ATOM 0 HA PHE B 43 71.392 18.132 -0.695 1.00 0.00 H new ATOM 0 HB2 PHE B 43 72.399 15.755 -2.336 1.00 0.00 H new ATOM 0 HB3 PHE B 43 71.985 15.637 -0.637 1.00 0.00 H new ATOM 0 HD1 PHE B 43 69.650 15.911 0.123 1.00 0.00 H new ATOM 0 HD2 PHE B 43 70.670 16.141 -4.043 1.00 0.00 H new ATOM 0 HE1 PHE B 43 67.255 15.678 -0.478 1.00 0.00 H new ATOM 0 HE2 PHE B 43 68.275 15.911 -4.643 1.00 0.00 H new ATOM 0 HZ PHE B 43 66.568 15.678 -2.861 1.00 0.00 H new ATOM 2161 N LEU B 44 74.420 18.420 -1.478 1.00 0.00 N ATOM 2162 CA LEU B 44 75.805 18.580 -0.937 1.00 0.00 C ATOM 2163 C LEU B 44 76.367 19.931 -1.382 1.00 0.00 C ATOM 2164 O LEU B 44 76.101 20.401 -2.470 1.00 0.00 O ATOM 2165 CB LEU B 44 76.702 17.456 -1.463 1.00 0.00 C ATOM 2166 CG LEU B 44 78.052 17.471 -0.719 1.00 0.00 C ATOM 2167 CD1 LEU B 44 77.905 16.865 0.690 1.00 0.00 C ATOM 2168 CD2 LEU B 44 79.083 16.665 -1.517 1.00 0.00 C ATOM 0 H LEU B 44 74.263 18.832 -2.398 1.00 0.00 H new ATOM 0 HA LEU B 44 75.775 18.534 0.152 1.00 0.00 H new ATOM 0 HB2 LEU B 44 76.211 16.493 -1.325 1.00 0.00 H new ATOM 0 HB3 LEU B 44 76.865 17.580 -2.534 1.00 0.00 H new ATOM 0 HG LEU B 44 78.384 18.504 -0.620 1.00 0.00 H new ATOM 0 HD11 LEU B 44 78.870 16.886 1.197 1.00 0.00 H new ATOM 0 HD12 LEU B 44 77.182 17.446 1.262 1.00 0.00 H new ATOM 0 HD13 LEU B 44 77.560 15.834 0.609 1.00 0.00 H new ATOM 0 HD21 LEU B 44 80.038 16.675 -0.992 1.00 0.00 H new ATOM 0 HD22 LEU B 44 78.738 15.637 -1.623 1.00 0.00 H new ATOM 0 HD23 LEU B 44 79.207 17.110 -2.504 1.00 0.00 H new ATOM 2180 N GLU B 45 77.152 20.555 -0.548 1.00 0.00 N ATOM 2181 CA GLU B 45 77.739 21.873 -0.920 1.00 0.00 C ATOM 2182 C GLU B 45 78.781 21.658 -2.019 1.00 0.00 C ATOM 2183 O GLU B 45 79.507 20.685 -2.012 1.00 0.00 O ATOM 2184 CB GLU B 45 78.410 22.505 0.303 1.00 0.00 C ATOM 2185 CG GLU B 45 77.347 22.857 1.353 1.00 0.00 C ATOM 2186 CD GLU B 45 76.903 21.588 2.088 1.00 0.00 C ATOM 2187 OE1 GLU B 45 77.536 20.562 1.899 1.00 0.00 O ATOM 2188 OE2 GLU B 45 75.933 21.664 2.824 1.00 0.00 O ATOM 0 H GLU B 45 77.413 20.209 0.376 1.00 0.00 H new ATOM 0 HA GLU B 45 76.952 22.537 -1.278 1.00 0.00 H new ATOM 0 HB2 GLU B 45 79.139 21.815 0.727 1.00 0.00 H new ATOM 0 HB3 GLU B 45 78.955 23.402 0.008 1.00 0.00 H new ATOM 0 HG2 GLU B 45 77.750 23.578 2.064 1.00 0.00 H new ATOM 0 HG3 GLU B 45 76.490 23.328 0.872 1.00 0.00 H new ATOM 2195 N GLU B 46 78.857 22.552 -2.965 1.00 0.00 N ATOM 2196 CA GLU B 46 79.849 22.383 -4.064 1.00 0.00 C ATOM 2197 C GLU B 46 81.263 22.453 -3.484 1.00 0.00 C ATOM 2198 O GLU B 46 81.546 23.247 -2.608 1.00 0.00 O ATOM 2199 CB GLU B 46 79.656 23.499 -5.093 1.00 0.00 C ATOM 2200 CG GLU B 46 78.311 23.313 -5.803 1.00 0.00 C ATOM 2201 CD GLU B 46 77.172 23.695 -4.853 1.00 0.00 C ATOM 2202 OE1 GLU B 46 77.452 24.306 -3.837 1.00 0.00 O ATOM 2203 OE2 GLU B 46 76.039 23.363 -5.158 1.00 0.00 O ATOM 0 H GLU B 46 78.278 23.389 -3.025 1.00 0.00 H new ATOM 0 HA GLU B 46 79.705 21.417 -4.547 1.00 0.00 H new ATOM 0 HB2 GLU B 46 79.688 24.471 -4.601 1.00 0.00 H new ATOM 0 HB3 GLU B 46 80.468 23.482 -5.820 1.00 0.00 H new ATOM 0 HG2 GLU B 46 78.273 23.931 -6.700 1.00 0.00 H new ATOM 0 HG3 GLU B 46 78.198 22.278 -6.125 1.00 0.00 H new ATOM 2210 N ILE B 47 82.153 21.621 -3.962 1.00 0.00 N ATOM 2211 CA ILE B 47 83.556 21.622 -3.440 1.00 0.00 C ATOM 2212 C ILE B 47 84.461 22.385 -4.409 1.00 0.00 C ATOM 2213 O ILE B 47 84.586 22.030 -5.564 1.00 0.00 O ATOM 2214 CB ILE B 47 84.053 20.178 -3.318 1.00 0.00 C ATOM 2215 CG1 ILE B 47 83.145 19.411 -2.352 1.00 0.00 C ATOM 2216 CG2 ILE B 47 85.492 20.179 -2.786 1.00 0.00 C ATOM 2217 CD1 ILE B 47 83.497 17.921 -2.377 1.00 0.00 C ATOM 0 H ILE B 47 81.968 20.937 -4.696 1.00 0.00 H new ATOM 0 HA ILE B 47 83.579 22.103 -2.462 1.00 0.00 H new ATOM 0 HB ILE B 47 84.030 19.696 -4.296 1.00 0.00 H new ATOM 0 HG12 ILE B 47 83.260 19.804 -1.342 1.00 0.00 H new ATOM 0 HG13 ILE B 47 82.101 19.552 -2.632 1.00 0.00 H new ATOM 0 HG21 ILE B 47 85.848 19.153 -2.698 1.00 0.00 H new ATOM 0 HG22 ILE B 47 86.134 20.728 -3.475 1.00 0.00 H new ATOM 0 HG23 ILE B 47 85.518 20.657 -1.807 1.00 0.00 H new ATOM 0 HD11 ILE B 47 82.847 17.382 -1.688 1.00 0.00 H new ATOM 0 HD12 ILE B 47 83.359 17.531 -3.386 1.00 0.00 H new ATOM 0 HD13 ILE B 47 84.536 17.787 -2.076 1.00 0.00 H new ATOM 2229 N LYS B 48 85.099 23.431 -3.952 1.00 0.00 N ATOM 2230 CA LYS B 48 86.000 24.214 -4.853 1.00 0.00 C ATOM 2231 C LYS B 48 87.450 23.749 -4.666 1.00 0.00 C ATOM 2232 O LYS B 48 88.282 23.941 -5.530 1.00 0.00 O ATOM 2233 CB LYS B 48 85.905 25.702 -4.494 1.00 0.00 C ATOM 2234 CG LYS B 48 86.575 26.541 -5.587 1.00 0.00 C ATOM 2235 CD LYS B 48 86.703 27.995 -5.121 1.00 0.00 C ATOM 2236 CE LYS B 48 85.314 28.612 -4.938 1.00 0.00 C ATOM 2237 NZ LYS B 48 85.427 30.099 -4.950 1.00 0.00 N ATOM 0 H LYS B 48 85.036 23.778 -2.995 1.00 0.00 H new ATOM 0 HA LYS B 48 85.697 24.059 -5.888 1.00 0.00 H new ATOM 0 HB2 LYS B 48 84.860 25.994 -4.387 1.00 0.00 H new ATOM 0 HB3 LYS B 48 86.387 25.886 -3.534 1.00 0.00 H new ATOM 0 HG2 LYS B 48 87.560 26.135 -5.817 1.00 0.00 H new ATOM 0 HG3 LYS B 48 85.989 26.494 -6.505 1.00 0.00 H new ATOM 0 HD2 LYS B 48 87.255 28.037 -4.182 1.00 0.00 H new ATOM 0 HD3 LYS B 48 87.272 28.571 -5.851 1.00 0.00 H new ATOM 0 HE2 LYS B 48 84.649 28.280 -5.735 1.00 0.00 H new ATOM 0 HE3 LYS B 48 84.876 28.277 -3.998 1.00 0.00 H new ATOM 0 HZ1 LYS B 48 84.484 30.520 -4.826 1.00 0.00 H new ATOM 0 HZ2 LYS B 48 86.048 30.406 -4.175 1.00 0.00 H new ATOM 0 HZ3 LYS B 48 85.828 30.409 -5.858 1.00 0.00 H new ATOM 2251 N GLU B 49 87.762 23.148 -3.539 1.00 0.00 N ATOM 2252 CA GLU B 49 89.168 22.686 -3.280 1.00 0.00 C ATOM 2253 C GLU B 49 89.228 21.158 -3.170 1.00 0.00 C ATOM 2254 O GLU B 49 88.478 20.540 -2.442 1.00 0.00 O ATOM 2255 CB GLU B 49 89.661 23.308 -1.970 1.00 0.00 C ATOM 2256 CG GLU B 49 91.115 22.899 -1.719 1.00 0.00 C ATOM 2257 CD GLU B 49 91.616 23.556 -0.432 1.00 0.00 C ATOM 2258 OE1 GLU B 49 90.869 24.324 0.148 1.00 0.00 O ATOM 2259 OE2 GLU B 49 92.740 23.278 -0.051 1.00 0.00 O ATOM 0 H GLU B 49 87.102 22.957 -2.785 1.00 0.00 H new ATOM 0 HA GLU B 49 89.801 22.998 -4.111 1.00 0.00 H new ATOM 0 HB2 GLU B 49 89.582 24.394 -2.020 1.00 0.00 H new ATOM 0 HB3 GLU B 49 89.033 22.980 -1.142 1.00 0.00 H new ATOM 0 HG2 GLU B 49 91.190 21.815 -1.639 1.00 0.00 H new ATOM 0 HG3 GLU B 49 91.739 23.201 -2.560 1.00 0.00 H new ATOM 2266 N GLN B 50 90.138 20.555 -3.888 1.00 0.00 N ATOM 2267 CA GLN B 50 90.300 19.071 -3.849 1.00 0.00 C ATOM 2268 C GLN B 50 90.655 18.611 -2.428 1.00 0.00 C ATOM 2269 O GLN B 50 90.210 17.581 -1.970 1.00 0.00 O ATOM 2270 CB GLN B 50 91.419 18.669 -4.816 1.00 0.00 C ATOM 2271 CG GLN B 50 91.588 17.147 -4.818 1.00 0.00 C ATOM 2272 CD GLN B 50 92.662 16.753 -5.833 1.00 0.00 C ATOM 2273 OE1 GLN B 50 93.766 17.257 -5.795 1.00 0.00 O ATOM 2274 NE2 GLN B 50 92.379 15.871 -6.752 1.00 0.00 N ATOM 0 H GLN B 50 90.787 21.036 -4.511 1.00 0.00 H new ATOM 0 HA GLN B 50 89.364 18.597 -4.144 1.00 0.00 H new ATOM 0 HB2 GLN B 50 91.185 19.018 -5.822 1.00 0.00 H new ATOM 0 HB3 GLN B 50 92.354 19.147 -4.522 1.00 0.00 H new ATOM 0 HG2 GLN B 50 91.868 16.801 -3.823 1.00 0.00 H new ATOM 0 HG3 GLN B 50 90.642 16.666 -5.068 1.00 0.00 H new ATOM 0 HE21 GLN B 50 91.452 15.447 -6.784 1.00 0.00 H new ATOM 0 HE22 GLN B 50 93.085 15.605 -7.438 1.00 0.00 H new ATOM 2283 N GLU B 51 91.472 19.355 -1.740 1.00 0.00 N ATOM 2284 CA GLU B 51 91.877 18.943 -0.357 1.00 0.00 C ATOM 2285 C GLU B 51 90.641 18.510 0.435 1.00 0.00 C ATOM 2286 O GLU B 51 90.702 17.625 1.266 1.00 0.00 O ATOM 2287 CB GLU B 51 92.552 20.113 0.367 1.00 0.00 C ATOM 2288 CG GLU B 51 93.809 20.538 -0.394 1.00 0.00 C ATOM 2289 CD GLU B 51 94.818 19.387 -0.407 1.00 0.00 C ATOM 2290 OE1 GLU B 51 95.215 18.962 0.665 1.00 0.00 O ATOM 2291 OE2 GLU B 51 95.166 18.943 -1.488 1.00 0.00 O ATOM 0 H GLU B 51 91.880 20.230 -2.069 1.00 0.00 H new ATOM 0 HA GLU B 51 92.578 18.112 -0.431 1.00 0.00 H new ATOM 0 HB2 GLU B 51 91.861 20.952 0.444 1.00 0.00 H new ATOM 0 HB3 GLU B 51 92.813 19.821 1.384 1.00 0.00 H new ATOM 0 HG2 GLU B 51 93.550 20.819 -1.415 1.00 0.00 H new ATOM 0 HG3 GLU B 51 94.251 21.417 0.076 1.00 0.00 H new ATOM 2298 N VAL B 52 89.518 19.111 0.169 1.00 0.00 N ATOM 2299 CA VAL B 52 88.274 18.721 0.887 1.00 0.00 C ATOM 2300 C VAL B 52 87.889 17.295 0.476 1.00 0.00 C ATOM 2301 O VAL B 52 87.334 16.542 1.251 1.00 0.00 O ATOM 2302 CB VAL B 52 87.147 19.699 0.536 1.00 0.00 C ATOM 2303 CG1 VAL B 52 85.813 19.169 1.067 1.00 0.00 C ATOM 2304 CG2 VAL B 52 87.443 21.060 1.175 1.00 0.00 C ATOM 0 H VAL B 52 89.407 19.858 -0.517 1.00 0.00 H new ATOM 0 HA VAL B 52 88.439 18.754 1.964 1.00 0.00 H new ATOM 0 HB VAL B 52 87.085 19.804 -0.547 1.00 0.00 H new ATOM 0 HG11 VAL B 52 85.017 19.869 0.814 1.00 0.00 H new ATOM 0 HG12 VAL B 52 85.601 18.200 0.616 1.00 0.00 H new ATOM 0 HG13 VAL B 52 85.870 19.060 2.150 1.00 0.00 H new ATOM 0 HG21 VAL B 52 86.644 21.759 0.928 1.00 0.00 H new ATOM 0 HG22 VAL B 52 87.506 20.948 2.257 1.00 0.00 H new ATOM 0 HG23 VAL B 52 88.390 21.442 0.795 1.00 0.00 H new ATOM 2314 N VAL B 53 88.200 16.918 -0.734 1.00 0.00 N ATOM 2315 CA VAL B 53 87.871 15.536 -1.187 1.00 0.00 C ATOM 2316 C VAL B 53 88.765 14.542 -0.439 1.00 0.00 C ATOM 2317 O VAL B 53 88.326 13.489 -0.022 1.00 0.00 O ATOM 2318 CB VAL B 53 88.111 15.418 -2.697 1.00 0.00 C ATOM 2319 CG1 VAL B 53 88.018 13.952 -3.130 1.00 0.00 C ATOM 2320 CG2 VAL B 53 87.048 16.227 -3.439 1.00 0.00 C ATOM 0 H VAL B 53 88.666 17.504 -1.426 1.00 0.00 H new ATOM 0 HA VAL B 53 86.824 15.317 -0.977 1.00 0.00 H new ATOM 0 HB VAL B 53 89.104 15.800 -2.932 1.00 0.00 H new ATOM 0 HG11 VAL B 53 88.190 13.878 -4.204 1.00 0.00 H new ATOM 0 HG12 VAL B 53 88.771 13.368 -2.601 1.00 0.00 H new ATOM 0 HG13 VAL B 53 87.027 13.565 -2.894 1.00 0.00 H new ATOM 0 HG21 VAL B 53 87.214 16.147 -4.513 1.00 0.00 H new ATOM 0 HG22 VAL B 53 86.059 15.839 -3.194 1.00 0.00 H new ATOM 0 HG23 VAL B 53 87.112 17.273 -3.139 1.00 0.00 H new ATOM 2330 N ASP B 54 90.016 14.870 -0.276 1.00 0.00 N ATOM 2331 CA ASP B 54 90.946 13.950 0.435 1.00 0.00 C ATOM 2332 C ASP B 54 90.478 13.745 1.876 1.00 0.00 C ATOM 2333 O ASP B 54 90.527 12.651 2.403 1.00 0.00 O ATOM 2334 CB ASP B 54 92.353 14.549 0.432 1.00 0.00 C ATOM 2335 CG ASP B 54 92.922 14.504 -0.990 1.00 0.00 C ATOM 2336 OD1 ASP B 54 92.420 13.729 -1.786 1.00 0.00 O ATOM 2337 OD2 ASP B 54 93.848 15.251 -1.260 1.00 0.00 O ATOM 0 H ASP B 54 90.436 15.739 -0.606 1.00 0.00 H new ATOM 0 HA ASP B 54 90.958 12.986 -0.075 1.00 0.00 H new ATOM 0 HB2 ASP B 54 92.323 15.578 0.791 1.00 0.00 H new ATOM 0 HB3 ASP B 54 92.999 13.993 1.112 1.00 0.00 H new ATOM 2342 N LYS B 55 90.018 14.782 2.517 1.00 0.00 N ATOM 2343 CA LYS B 55 89.544 14.629 3.923 1.00 0.00 C ATOM 2344 C LYS B 55 88.306 13.742 3.931 1.00 0.00 C ATOM 2345 O LYS B 55 88.131 12.897 4.788 1.00 0.00 O ATOM 2346 CB LYS B 55 89.180 16.000 4.490 1.00 0.00 C ATOM 2347 CG LYS B 55 90.451 16.826 4.695 1.00 0.00 C ATOM 2348 CD LYS B 55 90.076 18.271 5.046 1.00 0.00 C ATOM 2349 CE LYS B 55 89.265 18.311 6.346 1.00 0.00 C ATOM 2350 NZ LYS B 55 89.841 17.348 7.327 1.00 0.00 N ATOM 0 H LYS B 55 89.949 15.724 2.133 1.00 0.00 H new ATOM 0 HA LYS B 55 90.331 14.181 4.530 1.00 0.00 H new ATOM 0 HB2 LYS B 55 88.504 16.518 3.810 1.00 0.00 H new ATOM 0 HB3 LYS B 55 88.653 15.885 5.437 1.00 0.00 H new ATOM 0 HG2 LYS B 55 91.054 16.392 5.493 1.00 0.00 H new ATOM 0 HG3 LYS B 55 91.059 16.807 3.790 1.00 0.00 H new ATOM 0 HD2 LYS B 55 90.979 18.872 5.154 1.00 0.00 H new ATOM 0 HD3 LYS B 55 89.496 18.711 4.234 1.00 0.00 H new ATOM 0 HE2 LYS B 55 89.276 19.319 6.762 1.00 0.00 H new ATOM 0 HE3 LYS B 55 88.224 18.060 6.144 1.00 0.00 H new ATOM 0 HZ1 LYS B 55 89.518 17.593 8.285 1.00 0.00 H new ATOM 0 HZ2 LYS B 55 89.529 16.384 7.092 1.00 0.00 H new ATOM 0 HZ3 LYS B 55 90.879 17.394 7.290 1.00 0.00 H new ATOM 2364 N VAL B 56 87.449 13.928 2.968 1.00 0.00 N ATOM 2365 CA VAL B 56 86.217 13.100 2.894 1.00 0.00 C ATOM 2366 C VAL B 56 86.602 11.635 2.682 1.00 0.00 C ATOM 2367 O VAL B 56 86.017 10.740 3.259 1.00 0.00 O ATOM 2368 CB VAL B 56 85.348 13.603 1.735 1.00 0.00 C ATOM 2369 CG1 VAL B 56 84.200 12.624 1.468 1.00 0.00 C ATOM 2370 CG2 VAL B 56 84.765 14.972 2.105 1.00 0.00 C ATOM 0 H VAL B 56 87.550 14.621 2.226 1.00 0.00 H new ATOM 0 HA VAL B 56 85.652 13.180 3.823 1.00 0.00 H new ATOM 0 HB VAL B 56 85.962 13.684 0.838 1.00 0.00 H new ATOM 0 HG11 VAL B 56 83.591 12.994 0.643 1.00 0.00 H new ATOM 0 HG12 VAL B 56 84.608 11.647 1.209 1.00 0.00 H new ATOM 0 HG13 VAL B 56 83.583 12.534 2.362 1.00 0.00 H new ATOM 0 HG21 VAL B 56 84.145 15.337 1.286 1.00 0.00 H new ATOM 0 HG22 VAL B 56 84.158 14.878 3.005 1.00 0.00 H new ATOM 0 HG23 VAL B 56 85.577 15.676 2.287 1.00 0.00 H new ATOM 2380 N MET B 57 87.587 11.385 1.866 1.00 0.00 N ATOM 2381 CA MET B 57 88.016 9.977 1.626 1.00 0.00 C ATOM 2382 C MET B 57 88.612 9.384 2.907 1.00 0.00 C ATOM 2383 O MET B 57 88.329 8.259 3.271 1.00 0.00 O ATOM 2384 CB MET B 57 89.068 9.943 0.513 1.00 0.00 C ATOM 2385 CG MET B 57 89.553 8.504 0.314 1.00 0.00 C ATOM 2386 SD MET B 57 90.543 8.397 -1.201 1.00 0.00 S ATOM 2387 CE MET B 57 89.450 7.305 -2.147 1.00 0.00 C ATOM 0 H MET B 57 88.114 12.093 1.355 1.00 0.00 H new ATOM 0 HA MET B 57 87.148 9.388 1.328 1.00 0.00 H new ATOM 0 HB2 MET B 57 88.644 10.327 -0.415 1.00 0.00 H new ATOM 0 HB3 MET B 57 89.907 10.589 0.771 1.00 0.00 H new ATOM 0 HG2 MET B 57 90.147 8.189 1.171 1.00 0.00 H new ATOM 0 HG3 MET B 57 88.700 7.828 0.251 1.00 0.00 H new ATOM 0 HE1 MET B 57 89.887 7.114 -3.127 1.00 0.00 H new ATOM 0 HE2 MET B 57 89.328 6.362 -1.614 1.00 0.00 H new ATOM 0 HE3 MET B 57 88.477 7.781 -2.270 1.00 0.00 H new ATOM 2397 N GLU B 58 89.442 10.129 3.584 1.00 0.00 N ATOM 2398 CA GLU B 58 90.066 9.603 4.834 1.00 0.00 C ATOM 2399 C GLU B 58 88.977 9.262 5.850 1.00 0.00 C ATOM 2400 O GLU B 58 88.945 8.182 6.405 1.00 0.00 O ATOM 2401 CB GLU B 58 90.985 10.682 5.424 1.00 0.00 C ATOM 2402 CG GLU B 58 91.771 10.109 6.608 1.00 0.00 C ATOM 2403 CD GLU B 58 92.748 9.043 6.109 1.00 0.00 C ATOM 2404 OE1 GLU B 58 93.009 9.018 4.918 1.00 0.00 O ATOM 2405 OE2 GLU B 58 93.218 8.269 6.928 1.00 0.00 O ATOM 0 H GLU B 58 89.716 11.078 3.327 1.00 0.00 H new ATOM 0 HA GLU B 58 90.640 8.705 4.605 1.00 0.00 H new ATOM 0 HB2 GLU B 58 91.674 11.043 4.660 1.00 0.00 H new ATOM 0 HB3 GLU B 58 90.393 11.538 5.749 1.00 0.00 H new ATOM 0 HG2 GLU B 58 92.315 10.906 7.116 1.00 0.00 H new ATOM 0 HG3 GLU B 58 91.086 9.676 7.337 1.00 0.00 H new ATOM 2412 N THR B 59 88.085 10.175 6.088 1.00 0.00 N ATOM 2413 CA THR B 59 86.986 9.924 7.062 1.00 0.00 C ATOM 2414 C THR B 59 86.018 8.896 6.481 1.00 0.00 C ATOM 2415 O THR B 59 85.516 8.033 7.171 1.00 0.00 O ATOM 2416 CB THR B 59 86.238 11.230 7.328 1.00 0.00 C ATOM 2417 OG1 THR B 59 87.142 12.187 7.859 1.00 0.00 O ATOM 2418 CG2 THR B 59 85.110 10.985 8.331 1.00 0.00 C ATOM 0 H THR B 59 88.067 11.095 5.647 1.00 0.00 H new ATOM 0 HA THR B 59 87.404 9.545 7.995 1.00 0.00 H new ATOM 0 HB THR B 59 85.814 11.601 6.395 1.00 0.00 H new ATOM 0 HG1 THR B 59 86.667 13.027 8.029 1.00 0.00 H new ATOM 0 HG21 THR B 59 84.580 11.919 8.517 1.00 0.00 H new ATOM 0 HG22 THR B 59 84.416 10.248 7.926 1.00 0.00 H new ATOM 0 HG23 THR B 59 85.529 10.613 9.266 1.00 0.00 H new ATOM 2426 N LEU B 60 85.742 9.004 5.215 1.00 0.00 N ATOM 2427 CA LEU B 60 84.791 8.052 4.583 1.00 0.00 C ATOM 2428 C LEU B 60 85.430 6.662 4.502 1.00 0.00 C ATOM 2429 O LEU B 60 84.775 5.658 4.701 1.00 0.00 O ATOM 2430 CB LEU B 60 84.431 8.553 3.182 1.00 0.00 C ATOM 2431 CG LEU B 60 83.426 7.605 2.513 1.00 0.00 C ATOM 2432 CD1 LEU B 60 82.133 7.528 3.348 1.00 0.00 C ATOM 2433 CD2 LEU B 60 83.099 8.144 1.116 1.00 0.00 C ATOM 0 H LEU B 60 86.133 9.709 4.590 1.00 0.00 H new ATOM 0 HA LEU B 60 83.883 7.985 5.183 1.00 0.00 H new ATOM 0 HB2 LEU B 60 84.007 9.555 3.246 1.00 0.00 H new ATOM 0 HB3 LEU B 60 85.332 8.626 2.573 1.00 0.00 H new ATOM 0 HG LEU B 60 83.858 6.607 2.441 1.00 0.00 H new ATOM 0 HD11 LEU B 60 81.427 6.853 2.864 1.00 0.00 H new ATOM 0 HD12 LEU B 60 82.366 7.156 4.346 1.00 0.00 H new ATOM 0 HD13 LEU B 60 81.690 8.521 3.426 1.00 0.00 H new ATOM 0 HD21 LEU B 60 82.385 7.480 0.628 1.00 0.00 H new ATOM 0 HD22 LEU B 60 82.667 9.141 1.203 1.00 0.00 H new ATOM 0 HD23 LEU B 60 84.012 8.195 0.523 1.00 0.00 H new ATOM 2445 N ASP B 61 86.695 6.594 4.184 1.00 0.00 N ATOM 2446 CA ASP B 61 87.365 5.266 4.063 1.00 0.00 C ATOM 2447 C ASP B 61 87.419 4.572 5.424 1.00 0.00 C ATOM 2448 O ASP B 61 88.118 4.991 6.325 1.00 0.00 O ATOM 2449 CB ASP B 61 88.788 5.466 3.540 1.00 0.00 C ATOM 2450 CG ASP B 61 89.432 4.103 3.290 1.00 0.00 C ATOM 2451 OD1 ASP B 61 88.853 3.111 3.704 1.00 0.00 O ATOM 2452 OD2 ASP B 61 90.492 4.075 2.687 1.00 0.00 O ATOM 0 H ASP B 61 87.293 7.400 4.003 1.00 0.00 H new ATOM 0 HA ASP B 61 86.797 4.643 3.372 1.00 0.00 H new ATOM 0 HB2 ASP B 61 88.770 6.047 2.618 1.00 0.00 H new ATOM 0 HB3 ASP B 61 89.377 6.032 4.262 1.00 0.00 H new ATOM 2457 N GLU B 62 86.665 3.517 5.573 1.00 0.00 N ATOM 2458 CA GLU B 62 86.642 2.785 6.871 1.00 0.00 C ATOM 2459 C GLU B 62 88.035 2.257 7.221 1.00 0.00 C ATOM 2460 O GLU B 62 88.505 2.423 8.328 1.00 0.00 O ATOM 2461 CB GLU B 62 85.668 1.606 6.771 1.00 0.00 C ATOM 2462 CG GLU B 62 85.489 0.955 8.152 1.00 0.00 C ATOM 2463 CD GLU B 62 86.680 0.042 8.465 1.00 0.00 C ATOM 2464 OE1 GLU B 62 87.329 -0.404 7.533 1.00 0.00 O ATOM 2465 OE2 GLU B 62 86.919 -0.199 9.636 1.00 0.00 O ATOM 0 H GLU B 62 86.061 3.129 4.848 1.00 0.00 H new ATOM 0 HA GLU B 62 86.321 3.474 7.653 1.00 0.00 H new ATOM 0 HB2 GLU B 62 84.705 1.950 6.394 1.00 0.00 H new ATOM 0 HB3 GLU B 62 86.045 0.871 6.059 1.00 0.00 H new ATOM 0 HG2 GLU B 62 85.402 1.726 8.917 1.00 0.00 H new ATOM 0 HG3 GLU B 62 84.564 0.379 8.173 1.00 0.00 H new ATOM 2472 N ASP B 63 88.690 1.596 6.303 1.00 0.00 N ATOM 2473 CA ASP B 63 90.041 1.026 6.604 1.00 0.00 C ATOM 2474 C ASP B 63 91.160 1.983 6.173 1.00 0.00 C ATOM 2475 O ASP B 63 92.327 1.705 6.366 1.00 0.00 O ATOM 2476 CB ASP B 63 90.192 -0.320 5.885 1.00 0.00 C ATOM 2477 CG ASP B 63 90.143 -0.123 4.368 1.00 0.00 C ATOM 2478 OD1 ASP B 63 89.810 0.968 3.937 1.00 0.00 O ATOM 2479 OD2 ASP B 63 90.439 -1.074 3.664 1.00 0.00 O ATOM 0 H ASP B 63 88.350 1.425 5.357 1.00 0.00 H new ATOM 0 HA ASP B 63 90.126 0.882 7.681 1.00 0.00 H new ATOM 0 HB2 ASP B 63 91.136 -0.786 6.167 1.00 0.00 H new ATOM 0 HB3 ASP B 63 89.396 -0.997 6.196 1.00 0.00 H new ATOM 2484 N GLY B 64 90.829 3.111 5.610 1.00 0.00 N ATOM 2485 CA GLY B 64 91.897 4.070 5.199 1.00 0.00 C ATOM 2486 C GLY B 64 92.793 3.440 4.129 1.00 0.00 C ATOM 2487 O GLY B 64 93.960 3.764 4.019 1.00 0.00 O ATOM 0 H GLY B 64 89.873 3.411 5.417 1.00 0.00 H new ATOM 0 HA2 GLY B 64 91.446 4.984 4.813 1.00 0.00 H new ATOM 0 HA3 GLY B 64 92.496 4.351 6.065 1.00 0.00 H new ATOM 2491 N ASP B 65 92.271 2.540 3.342 1.00 0.00 N ATOM 2492 CA ASP B 65 93.119 1.900 2.293 1.00 0.00 C ATOM 2493 C ASP B 65 93.392 2.900 1.170 1.00 0.00 C ATOM 2494 O ASP B 65 94.093 2.604 0.225 1.00 0.00 O ATOM 2495 CB ASP B 65 92.402 0.673 1.724 1.00 0.00 C ATOM 2496 CG ASP B 65 91.108 1.100 1.028 1.00 0.00 C ATOM 2497 OD1 ASP B 65 90.657 2.203 1.281 1.00 0.00 O ATOM 2498 OD2 ASP B 65 90.588 0.314 0.252 1.00 0.00 O ATOM 0 H ASP B 65 91.303 2.221 3.378 1.00 0.00 H new ATOM 0 HA ASP B 65 94.064 1.590 2.738 1.00 0.00 H new ATOM 0 HB2 ASP B 65 93.052 0.157 1.017 1.00 0.00 H new ATOM 0 HB3 ASP B 65 92.179 -0.032 2.525 1.00 0.00 H new ATOM 2503 N GLY B 66 92.863 4.087 1.266 1.00 0.00 N ATOM 2504 CA GLY B 66 93.119 5.093 0.198 1.00 0.00 C ATOM 2505 C GLY B 66 92.299 4.752 -1.044 1.00 0.00 C ATOM 2506 O GLY B 66 92.660 5.094 -2.151 1.00 0.00 O ATOM 0 H GLY B 66 92.268 4.403 2.032 1.00 0.00 H new ATOM 0 HA2 GLY B 66 92.858 6.089 0.555 1.00 0.00 H new ATOM 0 HA3 GLY B 66 94.180 5.111 -0.050 1.00 0.00 H new ATOM 2510 N GLU B 67 91.196 4.080 -0.868 1.00 0.00 N ATOM 2511 CA GLU B 67 90.336 3.713 -2.023 1.00 0.00 C ATOM 2512 C GLU B 67 88.940 3.438 -1.467 1.00 0.00 C ATOM 2513 O GLU B 67 88.788 3.180 -0.289 1.00 0.00 O ATOM 2514 CB GLU B 67 90.892 2.455 -2.704 1.00 0.00 C ATOM 2515 CG GLU B 67 90.225 2.255 -4.072 1.00 0.00 C ATOM 2516 CD GLU B 67 90.706 3.332 -5.045 1.00 0.00 C ATOM 2517 OE1 GLU B 67 91.550 4.123 -4.660 1.00 0.00 O ATOM 2518 OE2 GLU B 67 90.224 3.346 -6.166 1.00 0.00 O ATOM 0 H GLU B 67 90.851 3.766 0.039 1.00 0.00 H new ATOM 0 HA GLU B 67 90.307 4.512 -2.764 1.00 0.00 H new ATOM 0 HB2 GLU B 67 91.971 2.546 -2.827 1.00 0.00 H new ATOM 0 HB3 GLU B 67 90.715 1.583 -2.074 1.00 0.00 H new ATOM 0 HG2 GLU B 67 90.465 1.266 -4.463 1.00 0.00 H new ATOM 0 HG3 GLU B 67 89.141 2.303 -3.969 1.00 0.00 H new ATOM 2525 N CYS B 68 87.917 3.493 -2.282 1.00 0.00 N ATOM 2526 CA CYS B 68 86.530 3.231 -1.775 1.00 0.00 C ATOM 2527 C CYS B 68 86.001 1.936 -2.398 1.00 0.00 C ATOM 2528 O CYS B 68 85.641 1.890 -3.561 1.00 0.00 O ATOM 2529 CB CYS B 68 85.629 4.410 -2.153 1.00 0.00 C ATOM 2530 SG CYS B 68 83.907 4.011 -1.769 1.00 0.00 S ATOM 0 H CYS B 68 87.980 3.708 -3.277 1.00 0.00 H new ATOM 0 HA CYS B 68 86.540 3.123 -0.690 1.00 0.00 H new ATOM 0 HB2 CYS B 68 85.935 5.303 -1.608 1.00 0.00 H new ATOM 0 HB3 CYS B 68 85.732 4.633 -3.215 1.00 0.00 H new ATOM 0 HG CYS B 68 83.147 5.016 -2.090 1.00 0.00 H new ATOM 2536 N ASP B 69 85.998 0.874 -1.634 1.00 0.00 N ATOM 2537 CA ASP B 69 85.542 -0.444 -2.161 1.00 0.00 C ATOM 2538 C ASP B 69 84.028 -0.454 -2.385 1.00 0.00 C ATOM 2539 O ASP B 69 83.318 0.476 -2.059 1.00 0.00 O ATOM 2540 CB ASP B 69 85.909 -1.550 -1.166 1.00 0.00 C ATOM 2541 CG ASP B 69 85.840 -2.915 -1.857 1.00 0.00 C ATOM 2542 OD1 ASP B 69 85.490 -2.950 -3.026 1.00 0.00 O ATOM 2543 OD2 ASP B 69 86.146 -3.902 -1.208 1.00 0.00 O ATOM 0 H ASP B 69 86.295 0.865 -0.658 1.00 0.00 H new ATOM 0 HA ASP B 69 86.037 -0.618 -3.116 1.00 0.00 H new ATOM 0 HB2 ASP B 69 86.912 -1.381 -0.774 1.00 0.00 H new ATOM 0 HB3 ASP B 69 85.227 -1.528 -0.316 1.00 0.00 H new ATOM 2548 N PHE B 70 83.549 -1.536 -2.929 1.00 0.00 N ATOM 2549 CA PHE B 70 82.092 -1.680 -3.183 1.00 0.00 C ATOM 2550 C PHE B 70 81.346 -1.685 -1.845 1.00 0.00 C ATOM 2551 O PHE B 70 80.314 -1.077 -1.696 1.00 0.00 O ATOM 2552 CB PHE B 70 81.825 -2.993 -3.922 1.00 0.00 C ATOM 2553 CG PHE B 70 80.376 -3.047 -4.340 1.00 0.00 C ATOM 2554 CD1 PHE B 70 79.413 -3.578 -3.476 1.00 0.00 C ATOM 2555 CD2 PHE B 70 79.996 -2.562 -5.597 1.00 0.00 C ATOM 2556 CE1 PHE B 70 78.069 -3.623 -3.868 1.00 0.00 C ATOM 2557 CE2 PHE B 70 78.653 -2.607 -5.991 1.00 0.00 C ATOM 2558 CZ PHE B 70 77.689 -3.138 -5.125 1.00 0.00 C ATOM 0 H PHE B 70 84.114 -2.337 -3.212 1.00 0.00 H new ATOM 0 HA PHE B 70 81.744 -0.847 -3.795 1.00 0.00 H new ATOM 0 HB2 PHE B 70 82.470 -3.068 -4.797 1.00 0.00 H new ATOM 0 HB3 PHE B 70 82.061 -3.840 -3.278 1.00 0.00 H new ATOM 0 HD1 PHE B 70 79.706 -3.953 -2.507 1.00 0.00 H new ATOM 0 HD2 PHE B 70 80.740 -2.152 -6.264 1.00 0.00 H new ATOM 0 HE1 PHE B 70 77.325 -4.032 -3.200 1.00 0.00 H new ATOM 0 HE2 PHE B 70 78.361 -2.233 -6.961 1.00 0.00 H new ATOM 0 HZ PHE B 70 76.653 -3.173 -5.427 1.00 0.00 H new ATOM 2568 N GLN B 71 81.846 -2.403 -0.883 1.00 0.00 N ATOM 2569 CA GLN B 71 81.134 -2.473 0.425 1.00 0.00 C ATOM 2570 C GLN B 71 81.006 -1.061 1.010 1.00 0.00 C ATOM 2571 O GLN B 71 79.921 -0.611 1.323 1.00 0.00 O ATOM 2572 CB GLN B 71 81.922 -3.359 1.389 1.00 0.00 C ATOM 2573 CG GLN B 71 81.903 -4.803 0.887 1.00 0.00 C ATOM 2574 CD GLN B 71 82.706 -5.683 1.844 1.00 0.00 C ATOM 2575 OE1 GLN B 71 82.593 -5.552 3.047 1.00 0.00 O ATOM 2576 NE2 GLN B 71 83.528 -6.571 1.357 1.00 0.00 N ATOM 0 H GLN B 71 82.710 -2.942 -0.941 1.00 0.00 H new ATOM 0 HA GLN B 71 80.140 -2.896 0.278 1.00 0.00 H new ATOM 0 HB2 GLN B 71 82.950 -3.004 1.468 1.00 0.00 H new ATOM 0 HB3 GLN B 71 81.488 -3.304 2.387 1.00 0.00 H new ATOM 0 HG2 GLN B 71 80.876 -5.163 0.819 1.00 0.00 H new ATOM 0 HG3 GLN B 71 82.326 -4.857 -0.116 1.00 0.00 H new ATOM 0 HE21 GLN B 71 83.622 -6.680 0.347 1.00 0.00 H new ATOM 0 HE22 GLN B 71 84.077 -7.157 1.986 1.00 0.00 H new ATOM 2585 N GLU B 72 82.093 -0.354 1.164 1.00 0.00 N ATOM 2586 CA GLU B 72 82.000 1.030 1.732 1.00 0.00 C ATOM 2587 C GLU B 72 81.108 1.881 0.823 1.00 0.00 C ATOM 2588 O GLU B 72 80.282 2.649 1.273 1.00 0.00 O ATOM 2589 CB GLU B 72 83.399 1.645 1.794 1.00 0.00 C ATOM 2590 CG GLU B 72 84.226 0.933 2.868 1.00 0.00 C ATOM 2591 CD GLU B 72 85.651 1.490 2.871 1.00 0.00 C ATOM 2592 OE1 GLU B 72 85.925 2.367 2.069 1.00 0.00 O ATOM 2593 OE2 GLU B 72 86.445 1.030 3.676 1.00 0.00 O ATOM 0 H GLU B 72 83.034 -0.667 0.925 1.00 0.00 H new ATOM 0 HA GLU B 72 81.575 0.993 2.735 1.00 0.00 H new ATOM 0 HB2 GLU B 72 83.890 1.556 0.825 1.00 0.00 H new ATOM 0 HB3 GLU B 72 83.330 2.709 2.020 1.00 0.00 H new ATOM 0 HG2 GLU B 72 83.768 1.074 3.847 1.00 0.00 H new ATOM 0 HG3 GLU B 72 84.244 -0.140 2.676 1.00 0.00 H new ATOM 2600 N PHE B 73 81.291 1.743 -0.460 1.00 0.00 N ATOM 2601 CA PHE B 73 80.474 2.540 -1.427 1.00 0.00 C ATOM 2602 C PHE B 73 79.003 2.473 -1.003 1.00 0.00 C ATOM 2603 O PHE B 73 78.283 3.451 -1.056 1.00 0.00 O ATOM 2604 CB PHE B 73 80.636 1.974 -2.842 1.00 0.00 C ATOM 2605 CG PHE B 73 79.612 2.592 -3.766 1.00 0.00 C ATOM 2606 CD1 PHE B 73 78.338 2.020 -3.870 1.00 0.00 C ATOM 2607 CD2 PHE B 73 79.934 3.723 -4.520 1.00 0.00 C ATOM 2608 CE1 PHE B 73 77.385 2.583 -4.728 1.00 0.00 C ATOM 2609 CE2 PHE B 73 78.983 4.284 -5.380 1.00 0.00 C ATOM 2610 CZ PHE B 73 77.708 3.715 -5.484 1.00 0.00 C ATOM 0 H PHE B 73 81.971 1.113 -0.885 1.00 0.00 H new ATOM 0 HA PHE B 73 80.812 3.576 -1.427 1.00 0.00 H new ATOM 0 HB2 PHE B 73 81.641 2.178 -3.211 1.00 0.00 H new ATOM 0 HB3 PHE B 73 80.516 0.891 -2.825 1.00 0.00 H new ATOM 0 HD1 PHE B 73 78.090 1.144 -3.288 1.00 0.00 H new ATOM 0 HD2 PHE B 73 80.916 4.164 -4.439 1.00 0.00 H new ATOM 0 HE1 PHE B 73 76.401 2.144 -4.806 1.00 0.00 H new ATOM 0 HE2 PHE B 73 79.233 5.157 -5.964 1.00 0.00 H new ATOM 0 HZ PHE B 73 76.975 4.149 -6.147 1.00 0.00 H new ATOM 2620 N MET B 74 78.558 1.331 -0.569 1.00 0.00 N ATOM 2621 CA MET B 74 77.144 1.204 -0.126 1.00 0.00 C ATOM 2622 C MET B 74 76.964 2.005 1.169 1.00 0.00 C ATOM 2623 O MET B 74 75.902 2.522 1.451 1.00 0.00 O ATOM 2624 CB MET B 74 76.812 -0.271 0.117 1.00 0.00 C ATOM 2625 CG MET B 74 77.042 -1.059 -1.175 1.00 0.00 C ATOM 2626 SD MET B 74 75.868 -0.530 -2.446 1.00 0.00 S ATOM 2627 CE MET B 74 74.533 -1.670 -2.018 1.00 0.00 C ATOM 0 H MET B 74 79.113 0.478 -0.501 1.00 0.00 H new ATOM 0 HA MET B 74 76.473 1.591 -0.893 1.00 0.00 H new ATOM 0 HB2 MET B 74 77.437 -0.670 0.916 1.00 0.00 H new ATOM 0 HB3 MET B 74 75.776 -0.374 0.440 1.00 0.00 H new ATOM 0 HG2 MET B 74 78.063 -0.906 -1.526 1.00 0.00 H new ATOM 0 HG3 MET B 74 76.927 -2.126 -0.984 1.00 0.00 H new ATOM 0 HE1 MET B 74 73.690 -1.513 -2.691 1.00 0.00 H new ATOM 0 HE2 MET B 74 74.887 -2.697 -2.113 1.00 0.00 H new ATOM 0 HE3 MET B 74 74.216 -1.489 -0.991 1.00 0.00 H new ATOM 2637 N ALA B 75 78.002 2.133 1.954 1.00 0.00 N ATOM 2638 CA ALA B 75 77.881 2.930 3.209 1.00 0.00 C ATOM 2639 C ALA B 75 77.542 4.371 2.819 1.00 0.00 C ATOM 2640 O ALA B 75 76.565 4.942 3.261 1.00 0.00 O ATOM 2641 CB ALA B 75 79.211 2.901 3.968 1.00 0.00 C ATOM 0 H ALA B 75 78.920 1.724 1.782 1.00 0.00 H new ATOM 0 HA ALA B 75 77.103 2.516 3.851 1.00 0.00 H new ATOM 0 HB1 ALA B 75 79.120 3.484 4.884 1.00 0.00 H new ATOM 0 HB2 ALA B 75 79.465 1.871 4.217 1.00 0.00 H new ATOM 0 HB3 ALA B 75 79.996 3.327 3.343 1.00 0.00 H new ATOM 2647 N PHE B 76 78.361 4.950 1.987 1.00 0.00 N ATOM 2648 CA PHE B 76 78.123 6.352 1.545 1.00 0.00 C ATOM 2649 C PHE B 76 76.687 6.449 1.026 1.00 0.00 C ATOM 2650 O PHE B 76 75.976 7.397 1.292 1.00 0.00 O ATOM 2651 CB PHE B 76 79.109 6.713 0.432 1.00 0.00 C ATOM 2652 CG PHE B 76 78.899 8.145 0.007 1.00 0.00 C ATOM 2653 CD1 PHE B 76 79.606 9.170 0.648 1.00 0.00 C ATOM 2654 CD2 PHE B 76 78.010 8.450 -1.030 1.00 0.00 C ATOM 2655 CE1 PHE B 76 79.422 10.499 0.253 1.00 0.00 C ATOM 2656 CE2 PHE B 76 77.826 9.782 -1.425 1.00 0.00 C ATOM 2657 CZ PHE B 76 78.533 10.806 -0.782 1.00 0.00 C ATOM 0 H PHE B 76 79.191 4.509 1.591 1.00 0.00 H new ATOM 0 HA PHE B 76 78.268 7.044 2.375 1.00 0.00 H new ATOM 0 HB2 PHE B 76 80.132 6.574 0.781 1.00 0.00 H new ATOM 0 HB3 PHE B 76 78.970 6.047 -0.420 1.00 0.00 H new ATOM 0 HD1 PHE B 76 80.293 8.934 1.447 1.00 0.00 H new ATOM 0 HD2 PHE B 76 77.466 7.659 -1.526 1.00 0.00 H new ATOM 0 HE1 PHE B 76 79.967 11.289 0.748 1.00 0.00 H new ATOM 0 HE2 PHE B 76 77.140 10.019 -2.225 1.00 0.00 H new ATOM 0 HZ PHE B 76 78.392 11.833 -1.086 1.00 0.00 H new ATOM 2667 N VAL B 77 76.250 5.447 0.319 1.00 0.00 N ATOM 2668 CA VAL B 77 74.848 5.453 -0.176 1.00 0.00 C ATOM 2669 C VAL B 77 73.920 5.497 1.044 1.00 0.00 C ATOM 2670 O VAL B 77 72.956 6.235 1.079 1.00 0.00 O ATOM 2671 CB VAL B 77 74.576 4.196 -1.015 1.00 0.00 C ATOM 2672 CG1 VAL B 77 73.074 4.075 -1.293 1.00 0.00 C ATOM 2673 CG2 VAL B 77 75.329 4.310 -2.344 1.00 0.00 C ATOM 0 H VAL B 77 76.800 4.627 0.063 1.00 0.00 H new ATOM 0 HA VAL B 77 74.672 6.321 -0.812 1.00 0.00 H new ATOM 0 HB VAL B 77 74.913 3.314 -0.470 1.00 0.00 H new ATOM 0 HG11 VAL B 77 72.885 3.182 -1.889 1.00 0.00 H new ATOM 0 HG12 VAL B 77 72.534 4.003 -0.349 1.00 0.00 H new ATOM 0 HG13 VAL B 77 72.733 4.954 -1.840 1.00 0.00 H new ATOM 0 HG21 VAL B 77 75.141 3.421 -2.946 1.00 0.00 H new ATOM 0 HG22 VAL B 77 74.984 5.193 -2.883 1.00 0.00 H new ATOM 0 HG23 VAL B 77 76.398 4.398 -2.150 1.00 0.00 H new ATOM 2683 N SER B 78 74.218 4.713 2.047 1.00 0.00 N ATOM 2684 CA SER B 78 73.372 4.706 3.278 1.00 0.00 C ATOM 2685 C SER B 78 73.572 6.012 4.058 1.00 0.00 C ATOM 2686 O SER B 78 72.626 6.641 4.486 1.00 0.00 O ATOM 2687 CB SER B 78 73.775 3.521 4.157 1.00 0.00 C ATOM 2688 OG SER B 78 73.489 2.309 3.471 1.00 0.00 O ATOM 0 H SER B 78 75.014 4.075 2.067 1.00 0.00 H new ATOM 0 HA SER B 78 72.323 4.617 2.995 1.00 0.00 H new ATOM 0 HB2 SER B 78 74.837 3.575 4.396 1.00 0.00 H new ATOM 0 HB3 SER B 78 73.233 3.554 5.102 1.00 0.00 H new ATOM 0 HG SER B 78 74.160 2.163 2.772 1.00 0.00 H new ATOM 2694 N MET B 79 74.798 6.404 4.276 1.00 0.00 N ATOM 2695 CA MET B 79 75.059 7.650 5.062 1.00 0.00 C ATOM 2696 C MET B 79 74.233 8.799 4.489 1.00 0.00 C ATOM 2697 O MET B 79 73.660 9.585 5.218 1.00 0.00 O ATOM 2698 CB MET B 79 76.549 7.994 4.974 1.00 0.00 C ATOM 2699 CG MET B 79 76.886 9.127 5.947 1.00 0.00 C ATOM 2700 SD MET B 79 78.656 9.498 5.832 1.00 0.00 S ATOM 2701 CE MET B 79 78.650 11.012 6.820 1.00 0.00 C ATOM 0 H MET B 79 75.631 5.918 3.945 1.00 0.00 H new ATOM 0 HA MET B 79 74.779 7.493 6.104 1.00 0.00 H new ATOM 0 HB2 MET B 79 77.148 7.114 5.207 1.00 0.00 H new ATOM 0 HB3 MET B 79 76.802 8.291 3.956 1.00 0.00 H new ATOM 0 HG2 MET B 79 76.299 10.014 5.709 1.00 0.00 H new ATOM 0 HG3 MET B 79 76.628 8.838 6.966 1.00 0.00 H new ATOM 0 HE1 MET B 79 79.662 11.413 6.877 1.00 0.00 H new ATOM 0 HE2 MET B 79 77.994 11.748 6.355 1.00 0.00 H new ATOM 0 HE3 MET B 79 78.290 10.789 7.825 1.00 0.00 H new ATOM 2711 N VAL B 80 74.136 8.887 3.198 1.00 0.00 N ATOM 2712 CA VAL B 80 73.314 9.967 2.591 1.00 0.00 C ATOM 2713 C VAL B 80 71.854 9.718 2.969 1.00 0.00 C ATOM 2714 O VAL B 80 71.055 10.628 3.053 1.00 0.00 O ATOM 2715 CB VAL B 80 73.474 9.950 1.068 1.00 0.00 C ATOM 2716 CG1 VAL B 80 72.482 10.936 0.441 1.00 0.00 C ATOM 2717 CG2 VAL B 80 74.901 10.362 0.700 1.00 0.00 C ATOM 0 H VAL B 80 74.589 8.259 2.534 1.00 0.00 H new ATOM 0 HA VAL B 80 73.636 10.942 2.958 1.00 0.00 H new ATOM 0 HB VAL B 80 73.277 8.946 0.693 1.00 0.00 H new ATOM 0 HG11 VAL B 80 72.594 10.925 -0.643 1.00 0.00 H new ATOM 0 HG12 VAL B 80 71.465 10.645 0.703 1.00 0.00 H new ATOM 0 HG13 VAL B 80 72.680 11.940 0.816 1.00 0.00 H new ATOM 0 HG21 VAL B 80 75.015 10.350 -0.384 1.00 0.00 H new ATOM 0 HG22 VAL B 80 75.098 11.367 1.074 1.00 0.00 H new ATOM 0 HG23 VAL B 80 75.608 9.663 1.147 1.00 0.00 H new ATOM 2727 N THR B 81 71.518 8.482 3.230 1.00 0.00 N ATOM 2728 CA THR B 81 70.124 8.150 3.643 1.00 0.00 C ATOM 2729 C THR B 81 69.963 8.440 5.141 1.00 0.00 C ATOM 2730 O THR B 81 69.033 9.100 5.561 1.00 0.00 O ATOM 2731 CB THR B 81 69.845 6.667 3.376 1.00 0.00 C ATOM 2732 OG1 THR B 81 70.261 6.339 2.056 1.00 0.00 O ATOM 2733 CG2 THR B 81 68.347 6.395 3.520 1.00 0.00 C ATOM 0 H THR B 81 72.153 7.685 3.174 1.00 0.00 H new ATOM 0 HA THR B 81 69.420 8.755 3.072 1.00 0.00 H new ATOM 0 HB THR B 81 70.395 6.058 4.094 1.00 0.00 H new ATOM 0 HG1 THR B 81 71.239 6.289 2.024 1.00 0.00 H new ATOM 0 HG21 THR B 81 68.149 5.340 3.330 1.00 0.00 H new ATOM 0 HG22 THR B 81 68.027 6.648 4.531 1.00 0.00 H new ATOM 0 HG23 THR B 81 67.796 7.003 2.802 1.00 0.00 H new ATOM 2741 N THR B 82 70.871 7.945 5.946 1.00 0.00 N ATOM 2742 CA THR B 82 70.802 8.170 7.418 1.00 0.00 C ATOM 2743 C THR B 82 71.116 9.631 7.745 1.00 0.00 C ATOM 2744 O THR B 82 70.819 10.112 8.820 1.00 0.00 O ATOM 2745 CB THR B 82 71.825 7.273 8.117 1.00 0.00 C ATOM 2746 OG1 THR B 82 73.136 7.728 7.814 1.00 0.00 O ATOM 2747 CG2 THR B 82 71.660 5.831 7.638 1.00 0.00 C ATOM 0 H THR B 82 71.667 7.387 5.638 1.00 0.00 H new ATOM 0 HA THR B 82 69.796 7.932 7.764 1.00 0.00 H new ATOM 0 HB THR B 82 71.665 7.313 9.194 1.00 0.00 H new ATOM 0 HG1 THR B 82 73.793 7.155 8.262 1.00 0.00 H new ATOM 0 HG21 THR B 82 72.391 5.196 8.138 1.00 0.00 H new ATOM 0 HG22 THR B 82 70.654 5.482 7.873 1.00 0.00 H new ATOM 0 HG23 THR B 82 71.817 5.785 6.560 1.00 0.00 H new ATOM 2755 N ALA B 83 71.704 10.341 6.828 1.00 0.00 N ATOM 2756 CA ALA B 83 72.024 11.771 7.091 1.00 0.00 C ATOM 2757 C ALA B 83 70.719 12.529 7.327 1.00 0.00 C ATOM 2758 O ALA B 83 70.621 13.376 8.191 1.00 0.00 O ATOM 2759 CB ALA B 83 72.755 12.359 5.889 1.00 0.00 C ATOM 0 H ALA B 83 71.977 9.995 5.908 1.00 0.00 H new ATOM 0 HA ALA B 83 72.663 11.856 7.970 1.00 0.00 H new ATOM 0 HB1 ALA B 83 72.989 13.406 6.082 1.00 0.00 H new ATOM 0 HB2 ALA B 83 73.679 11.806 5.719 1.00 0.00 H new ATOM 0 HB3 ALA B 83 72.120 12.286 5.006 1.00 0.00 H new ATOM 2765 N CYS B 84 69.709 12.213 6.564 1.00 0.00 N ATOM 2766 CA CYS B 84 68.394 12.891 6.737 1.00 0.00 C ATOM 2767 C CYS B 84 67.573 12.120 7.773 1.00 0.00 C ATOM 2768 O CYS B 84 66.672 11.380 7.438 1.00 0.00 O ATOM 2769 CB CYS B 84 67.652 12.900 5.400 1.00 0.00 C ATOM 2770 SG CYS B 84 68.664 13.742 4.158 1.00 0.00 S ATOM 0 H CYS B 84 69.739 11.511 5.825 1.00 0.00 H new ATOM 0 HA CYS B 84 68.544 13.917 7.074 1.00 0.00 H new ATOM 0 HB2 CYS B 84 67.440 11.879 5.082 1.00 0.00 H new ATOM 0 HB3 CYS B 84 66.692 13.406 5.507 1.00 0.00 H new ATOM 0 HG CYS B 84 68.037 13.749 3.019 1.00 0.00 H new