USER MOD reduce.3.24.130724 H: found=0, std=0, add=972, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 972 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 34 TYR OH : rot 79:sc= 1.35 USER MOD Set 1.2: A 53 HIS : no HE2:sc= 0.393 K(o=1.7,f=-3.5) USER MOD Set 2.1: A 10 GLN : amide:sc= -0.0606 K(o=0.29,f=-3.3!) USER MOD Set 2.2: A 11 LYS NZ :NH3+ -167:sc= 0.352 (180deg=0) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 ASN :FLIP amide:sc= -0.581 F(o=-1.5,f=-0.58) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 12 GLN :FLIP amide:sc= -1.48 F(o=-3.7!,f=-1.5) USER MOD Single : A 16 TYR OH : rot 70:sc= -0.751 USER MOD Single : A 17 ASN : amide:sc= 0.0509 X(o=0.051,f=-0.018) USER MOD Single : A 25 MET CE :methyl -168:sc= -1.36 (180deg=-1.94!) USER MOD Single : A 32 CYS SG : rot -151:sc= 1.26 USER MOD Single : A 33 GLN : amide:sc= -0.0667 X(o=-0.067,f=0) USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 ASN : amide:sc= -1.51 K(o=-1.5,f=-5.9!) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 ASN : amide:sc= 0 K(o=0,f=-1.9!) USER MOD Single : A 79 HIS : no HD1:sc= -1.8 K(o=-1.8,f=-2.9!) USER MOD Single : A 81 THR OG1 : rot -104:sc= 0.448 USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 ASN : amide:sc= 0.131 X(o=0.13,f=0) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 CYS SG : rot 180:sc= -2.16! USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 103 ASN : amide:sc= -0.0164 X(o=-0.016,f=-0.21) USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 LYS NZ :NH3+ -144:sc= -1.31 (180deg=-3.1!) USER MOD Single : A 120 SER OG : rot 180:sc= 0 USER MOD Single : A 121 GLN :FLIP amide:sc= 0 F(o=-0.56,f=0) USER MOD Single : A 122 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 123 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.448 0.347 -1.982 1.00 0.00 N ATOM 2 CA MET A 1 2.804 -0.143 -1.631 1.00 0.00 C ATOM 3 C MET A 1 2.916 -1.650 -1.909 1.00 0.00 C ATOM 4 O MET A 1 3.649 -2.067 -2.812 1.00 0.00 O ATOM 5 CB MET A 1 3.140 0.171 -0.143 1.00 0.00 C ATOM 6 CG MET A 1 4.526 -0.311 0.320 1.00 0.00 C ATOM 7 SD MET A 1 4.919 0.152 2.023 1.00 0.00 S ATOM 8 CE MET A 1 6.513 -0.649 2.252 1.00 0.00 C ATOM 0 H1 MET A 1 1.387 1.367 -1.789 1.00 0.00 H new ATOM 0 H2 MET A 1 1.267 0.174 -2.991 1.00 0.00 H new ATOM 0 H3 MET A 1 0.739 -0.156 -1.412 1.00 0.00 H new ATOM 0 HA MET A 1 3.530 0.378 -2.255 1.00 0.00 H new ATOM 0 HB2 MET A 1 3.075 1.248 0.010 1.00 0.00 H new ATOM 0 HB3 MET A 1 2.381 -0.287 0.491 1.00 0.00 H new ATOM 0 HG2 MET A 1 4.575 -1.396 0.226 1.00 0.00 H new ATOM 0 HG3 MET A 1 5.286 0.101 -0.345 1.00 0.00 H new ATOM 0 HE1 MET A 1 6.879 -0.450 3.259 1.00 0.00 H new ATOM 0 HE2 MET A 1 6.403 -1.724 2.112 1.00 0.00 H new ATOM 0 HE3 MET A 1 7.224 -0.259 1.524 1.00 0.00 H new ATOM 20 N ASN A 2 2.165 -2.463 -1.137 1.00 0.00 N ATOM 21 CA ASN A 2 2.246 -3.931 -1.218 1.00 0.00 C ATOM 22 C ASN A 2 0.944 -4.598 -0.741 1.00 0.00 C ATOM 23 O ASN A 2 0.954 -5.771 -0.347 1.00 0.00 O ATOM 24 CB ASN A 2 3.508 -4.439 -0.439 1.00 0.00 C ATOM 25 CG ASN A 2 3.643 -3.967 1.027 1.00 0.00 C ATOM 26 OD1 ASN A 2 2.586 -4.068 1.830 1.00 0.00 O flip ATOM 27 ND2 ASN A 2 4.734 -3.594 1.462 1.00 0.00 N flip ATOM 0 H ASN A 2 1.494 -2.123 -0.449 1.00 0.00 H new ATOM 0 HA ASN A 2 2.362 -4.221 -2.262 1.00 0.00 H new ATOM 0 HB2 ASN A 2 3.500 -5.529 -0.448 1.00 0.00 H new ATOM 0 HB3 ASN A 2 4.397 -4.122 -0.984 1.00 0.00 H new ATOM 0 HD21 ASN A 2 5.535 -3.521 0.835 1.00 0.00 H new ATOM 0 HD22 ASN A 2 4.836 -3.358 2.449 1.00 0.00 H new ATOM 34 N SER A 3 -0.186 -3.861 -0.822 1.00 0.00 N ATOM 35 CA SER A 3 -1.525 -4.401 -0.485 1.00 0.00 C ATOM 36 C SER A 3 -1.904 -5.518 -1.467 1.00 0.00 C ATOM 37 O SER A 3 -2.470 -6.540 -1.077 1.00 0.00 O ATOM 38 CB SER A 3 -2.583 -3.274 -0.505 1.00 0.00 C ATOM 39 OG SER A 3 -2.586 -2.588 -1.746 1.00 0.00 O ATOM 0 H SER A 3 -0.198 -2.885 -1.119 1.00 0.00 H new ATOM 0 HA SER A 3 -1.493 -4.819 0.521 1.00 0.00 H new ATOM 0 HB2 SER A 3 -3.570 -3.697 -0.319 1.00 0.00 H new ATOM 0 HB3 SER A 3 -2.381 -2.569 0.301 1.00 0.00 H new ATOM 0 HG SER A 3 -3.266 -1.883 -1.728 1.00 0.00 H new ATOM 45 N GLU A 4 -1.518 -5.306 -2.731 1.00 0.00 N ATOM 46 CA GLU A 4 -1.672 -6.272 -3.842 1.00 0.00 C ATOM 47 C GLU A 4 -0.947 -7.618 -3.579 1.00 0.00 C ATOM 48 O GLU A 4 -1.281 -8.638 -4.187 1.00 0.00 O ATOM 49 CB GLU A 4 -1.111 -5.617 -5.126 1.00 0.00 C ATOM 50 CG GLU A 4 0.373 -5.204 -5.010 1.00 0.00 C ATOM 51 CD GLU A 4 0.904 -4.443 -6.228 1.00 0.00 C ATOM 52 OE1 GLU A 4 1.346 -5.087 -7.204 1.00 0.00 O ATOM 53 OE2 GLU A 4 0.883 -3.193 -6.217 1.00 0.00 O ATOM 0 H GLU A 4 -1.076 -4.435 -3.025 1.00 0.00 H new ATOM 0 HA GLU A 4 -2.731 -6.508 -3.944 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -1.222 -6.313 -5.958 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -1.707 -4.736 -5.365 1.00 0.00 H new ATOM 0 HG2 GLU A 4 0.498 -4.583 -4.123 1.00 0.00 H new ATOM 0 HG3 GLU A 4 0.978 -6.098 -4.861 1.00 0.00 H new ATOM 60 N ILE A 5 0.067 -7.585 -2.698 1.00 0.00 N ATOM 61 CA ILE A 5 0.889 -8.754 -2.329 1.00 0.00 C ATOM 62 C ILE A 5 0.299 -9.432 -1.073 1.00 0.00 C ATOM 63 O ILE A 5 0.425 -10.648 -0.876 1.00 0.00 O ATOM 64 CB ILE A 5 2.374 -8.304 -2.050 1.00 0.00 C ATOM 65 CG1 ILE A 5 2.932 -7.388 -3.194 1.00 0.00 C ATOM 66 CG2 ILE A 5 3.304 -9.506 -1.812 1.00 0.00 C ATOM 67 CD1 ILE A 5 2.962 -8.011 -4.585 1.00 0.00 C ATOM 0 H ILE A 5 0.345 -6.732 -2.213 1.00 0.00 H new ATOM 0 HA ILE A 5 0.886 -9.466 -3.154 1.00 0.00 H new ATOM 0 HB ILE A 5 2.351 -7.715 -1.133 1.00 0.00 H new ATOM 0 HG12 ILE A 5 2.328 -6.481 -3.235 1.00 0.00 H new ATOM 0 HG13 ILE A 5 3.945 -7.085 -2.930 1.00 0.00 H new ATOM 0 HG21 ILE A 5 4.317 -9.151 -1.624 1.00 0.00 H new ATOM 0 HG22 ILE A 5 2.952 -10.073 -0.950 1.00 0.00 H new ATOM 0 HG23 ILE A 5 3.302 -10.147 -2.693 1.00 0.00 H new ATOM 0 HD11 ILE A 5 3.365 -7.291 -5.297 1.00 0.00 H new ATOM 0 HD12 ILE A 5 3.592 -8.900 -4.572 1.00 0.00 H new ATOM 0 HD13 ILE A 5 1.950 -8.287 -4.882 1.00 0.00 H new ATOM 79 N GLU A 6 -0.355 -8.616 -0.233 1.00 0.00 N ATOM 80 CA GLU A 6 -1.037 -9.076 0.984 1.00 0.00 C ATOM 81 C GLU A 6 -2.397 -9.726 0.664 1.00 0.00 C ATOM 82 O GLU A 6 -2.881 -10.536 1.457 1.00 0.00 O ATOM 83 CB GLU A 6 -1.225 -7.885 1.951 1.00 0.00 C ATOM 84 CG GLU A 6 0.087 -7.279 2.468 1.00 0.00 C ATOM 85 CD GLU A 6 -0.123 -5.978 3.253 1.00 0.00 C ATOM 86 OE1 GLU A 6 -0.160 -4.896 2.629 1.00 0.00 O ATOM 87 OE2 GLU A 6 -0.270 -6.025 4.491 1.00 0.00 O ATOM 0 H GLU A 6 -0.425 -7.609 -0.381 1.00 0.00 H new ATOM 0 HA GLU A 6 -0.416 -9.837 1.456 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -1.796 -7.107 1.444 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -1.820 -8.214 2.803 1.00 0.00 H new ATOM 0 HG2 GLU A 6 0.590 -8.005 3.107 1.00 0.00 H new ATOM 0 HG3 GLU A 6 0.749 -7.085 1.624 1.00 0.00 H new ATOM 94 N LEU A 7 -3.005 -9.368 -0.488 1.00 0.00 N ATOM 95 CA LEU A 7 -4.304 -9.939 -0.916 1.00 0.00 C ATOM 96 C LEU A 7 -4.222 -11.484 -1.131 1.00 0.00 C ATOM 97 O LEU A 7 -4.964 -12.204 -0.461 1.00 0.00 O ATOM 98 CB LEU A 7 -4.848 -9.233 -2.193 1.00 0.00 C ATOM 99 CG LEU A 7 -5.294 -7.755 -2.038 1.00 0.00 C ATOM 100 CD1 LEU A 7 -5.554 -7.098 -3.412 1.00 0.00 C ATOM 101 CD2 LEU A 7 -6.528 -7.639 -1.113 1.00 0.00 C ATOM 0 H LEU A 7 -2.618 -8.686 -1.140 1.00 0.00 H new ATOM 0 HA LEU A 7 -5.008 -9.756 -0.104 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -4.075 -9.276 -2.960 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -5.697 -9.807 -2.563 1.00 0.00 H new ATOM 0 HG LEU A 7 -4.476 -7.210 -1.567 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -5.865 -6.063 -3.268 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -4.640 -7.123 -4.006 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -6.341 -7.644 -3.933 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -6.818 -6.592 -1.023 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -7.355 -8.209 -1.536 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -6.282 -8.033 -0.127 1.00 0.00 H new ATOM 113 N PRO A 8 -3.311 -12.030 -2.034 1.00 0.00 N ATOM 114 CA PRO A 8 -3.226 -13.487 -2.308 1.00 0.00 C ATOM 115 C PRO A 8 -3.032 -14.318 -1.035 1.00 0.00 C ATOM 116 O PRO A 8 -3.791 -15.250 -0.776 1.00 0.00 O ATOM 117 CB PRO A 8 -2.003 -13.624 -3.271 1.00 0.00 C ATOM 118 CG PRO A 8 -1.266 -12.337 -3.147 1.00 0.00 C ATOM 119 CD PRO A 8 -2.309 -11.299 -2.856 1.00 0.00 C ATOM 0 HA PRO A 8 -4.151 -13.868 -2.741 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -1.373 -14.468 -2.990 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -2.327 -13.796 -4.298 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -0.527 -12.384 -2.347 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -0.727 -12.104 -4.066 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -1.890 -10.450 -2.316 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -2.751 -10.907 -3.772 1.00 0.00 H new ATOM 127 N VAL A 9 -2.047 -13.912 -0.225 1.00 0.00 N ATOM 128 CA VAL A 9 -1.642 -14.650 0.979 1.00 0.00 C ATOM 129 C VAL A 9 -2.761 -14.667 2.050 1.00 0.00 C ATOM 130 O VAL A 9 -2.933 -15.657 2.771 1.00 0.00 O ATOM 131 CB VAL A 9 -0.292 -14.082 1.552 1.00 0.00 C ATOM 132 CG1 VAL A 9 0.802 -14.074 0.456 1.00 0.00 C ATOM 133 CG2 VAL A 9 -0.462 -12.675 2.179 1.00 0.00 C ATOM 0 H VAL A 9 -1.507 -13.062 -0.385 1.00 0.00 H new ATOM 0 HA VAL A 9 -1.472 -15.688 0.692 1.00 0.00 H new ATOM 0 HB VAL A 9 0.023 -14.747 2.356 1.00 0.00 H new ATOM 0 HG11 VAL A 9 1.729 -13.678 0.870 1.00 0.00 H new ATOM 0 HG12 VAL A 9 0.969 -15.091 0.101 1.00 0.00 H new ATOM 0 HG13 VAL A 9 0.479 -13.448 -0.376 1.00 0.00 H new ATOM 0 HG21 VAL A 9 0.499 -12.328 2.560 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -0.824 -11.980 1.421 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -1.180 -12.726 2.998 1.00 0.00 H new ATOM 143 N GLN A 10 -3.552 -13.578 2.096 1.00 0.00 N ATOM 144 CA GLN A 10 -4.670 -13.420 3.048 1.00 0.00 C ATOM 145 C GLN A 10 -5.827 -14.358 2.673 1.00 0.00 C ATOM 146 O GLN A 10 -6.318 -15.124 3.512 1.00 0.00 O ATOM 147 CB GLN A 10 -5.115 -11.927 3.072 1.00 0.00 C ATOM 148 CG GLN A 10 -6.222 -11.541 4.091 1.00 0.00 C ATOM 149 CD GLN A 10 -7.650 -11.610 3.542 1.00 0.00 C ATOM 150 OE1 GLN A 10 -8.153 -10.645 2.974 1.00 0.00 O ATOM 151 NE2 GLN A 10 -8.308 -12.748 3.698 1.00 0.00 N ATOM 0 H GLN A 10 -3.434 -12.780 1.472 1.00 0.00 H new ATOM 0 HA GLN A 10 -4.346 -13.696 4.051 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -4.237 -11.314 3.276 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -5.464 -11.661 2.074 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -6.147 -12.201 4.955 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -6.032 -10.528 4.446 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -7.864 -13.533 4.174 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -9.259 -12.840 3.342 1.00 0.00 H new ATOM 160 N LYS A 11 -6.228 -14.307 1.392 1.00 0.00 N ATOM 161 CA LYS A 11 -7.379 -15.076 0.872 1.00 0.00 C ATOM 162 C LYS A 11 -7.091 -16.587 0.900 1.00 0.00 C ATOM 163 O LYS A 11 -8.012 -17.398 1.067 1.00 0.00 O ATOM 164 CB LYS A 11 -7.727 -14.637 -0.566 1.00 0.00 C ATOM 165 CG LYS A 11 -7.970 -13.123 -0.753 1.00 0.00 C ATOM 166 CD LYS A 11 -9.086 -12.553 0.142 1.00 0.00 C ATOM 167 CE LYS A 11 -9.323 -11.051 -0.101 1.00 0.00 C ATOM 168 NZ LYS A 11 -10.294 -10.486 0.867 1.00 0.00 N ATOM 0 H LYS A 11 -5.767 -13.733 0.686 1.00 0.00 H new ATOM 0 HA LYS A 11 -8.232 -14.871 1.519 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -6.917 -14.943 -1.228 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -8.620 -15.174 -0.886 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -7.043 -12.588 -0.546 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -8.222 -12.932 -1.796 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -10.011 -13.099 -0.043 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -8.826 -12.713 1.188 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -8.377 -10.516 -0.022 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -9.691 -10.900 -1.116 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -10.596 -9.544 0.546 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -11.122 -11.112 0.933 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -9.845 -10.405 1.802 1.00 0.00 H new ATOM 182 N GLN A 12 -5.796 -16.936 0.740 1.00 0.00 N ATOM 183 CA GLN A 12 -5.322 -18.326 0.810 1.00 0.00 C ATOM 184 C GLN A 12 -5.644 -18.955 2.167 1.00 0.00 C ATOM 185 O GLN A 12 -6.133 -20.074 2.222 1.00 0.00 O ATOM 186 CB GLN A 12 -3.794 -18.428 0.619 1.00 0.00 C ATOM 187 CG GLN A 12 -3.296 -18.351 -0.821 1.00 0.00 C ATOM 188 CD GLN A 12 -1.805 -18.622 -0.864 1.00 0.00 C ATOM 189 OE1 GLN A 12 -1.007 -17.595 -0.641 1.00 0.00 O flip ATOM 190 NE2 GLN A 12 -1.382 -19.751 -1.040 1.00 0.00 N flip ATOM 0 H GLN A 12 -5.055 -16.259 0.559 1.00 0.00 H new ATOM 0 HA GLN A 12 -5.836 -18.852 0.006 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -3.322 -17.628 1.190 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -3.455 -19.370 1.050 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -3.825 -19.078 -1.438 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -3.508 -17.366 -1.237 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -2.032 -20.519 -1.209 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -0.378 -19.929 -1.018 1.00 0.00 H new ATOM 199 N LEU A 13 -5.302 -18.232 3.253 1.00 0.00 N ATOM 200 CA LEU A 13 -5.464 -18.735 4.632 1.00 0.00 C ATOM 201 C LEU A 13 -6.911 -19.097 4.886 1.00 0.00 C ATOM 202 O LEU A 13 -7.205 -20.191 5.405 1.00 0.00 O ATOM 203 CB LEU A 13 -4.981 -17.678 5.664 1.00 0.00 C ATOM 204 CG LEU A 13 -4.969 -18.083 7.186 1.00 0.00 C ATOM 205 CD1 LEU A 13 -6.351 -18.059 7.885 1.00 0.00 C ATOM 206 CD2 LEU A 13 -4.240 -19.428 7.404 1.00 0.00 C ATOM 0 H LEU A 13 -4.909 -17.292 3.200 1.00 0.00 H new ATOM 0 HA LEU A 13 -4.851 -19.629 4.749 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -3.969 -17.381 5.389 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -5.612 -16.795 5.558 1.00 0.00 H new ATOM 0 HG LEU A 13 -4.403 -17.293 7.680 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -6.236 -18.353 8.928 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -6.767 -17.053 7.835 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -7.024 -18.755 7.384 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -4.249 -19.679 8.465 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -4.747 -20.212 6.841 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -3.209 -19.343 7.060 1.00 0.00 H new ATOM 218 N GLU A 14 -7.794 -18.164 4.516 1.00 0.00 N ATOM 219 CA GLU A 14 -9.234 -18.310 4.735 1.00 0.00 C ATOM 220 C GLU A 14 -9.723 -19.589 4.029 1.00 0.00 C ATOM 221 O GLU A 14 -10.458 -20.396 4.594 1.00 0.00 O ATOM 222 CB GLU A 14 -9.998 -17.075 4.180 1.00 0.00 C ATOM 223 CG GLU A 14 -9.440 -15.703 4.622 1.00 0.00 C ATOM 224 CD GLU A 14 -9.547 -15.425 6.131 1.00 0.00 C ATOM 225 OE1 GLU A 14 -10.620 -14.974 6.587 1.00 0.00 O ATOM 226 OE2 GLU A 14 -8.557 -15.640 6.868 1.00 0.00 O ATOM 0 H GLU A 14 -7.531 -17.291 4.059 1.00 0.00 H new ATOM 0 HA GLU A 14 -9.428 -18.381 5.805 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -9.987 -17.120 3.091 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -11.040 -17.143 4.491 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -8.392 -15.639 4.327 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -9.971 -14.919 4.083 1.00 0.00 H new ATOM 233 N ALA A 15 -9.203 -19.763 2.806 1.00 0.00 N ATOM 234 CA ALA A 15 -9.483 -20.901 1.927 1.00 0.00 C ATOM 235 C ALA A 15 -8.802 -22.206 2.401 1.00 0.00 C ATOM 236 O ALA A 15 -9.282 -23.298 2.089 1.00 0.00 O ATOM 237 CB ALA A 15 -9.042 -20.543 0.499 1.00 0.00 C ATOM 0 H ALA A 15 -8.556 -19.093 2.391 1.00 0.00 H new ATOM 0 HA ALA A 15 -10.555 -21.095 1.953 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -9.245 -21.383 -0.166 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -9.593 -19.667 0.157 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -7.974 -20.325 0.492 1.00 0.00 H new ATOM 243 N TYR A 16 -7.680 -22.086 3.151 1.00 0.00 N ATOM 244 CA TYR A 16 -6.858 -23.252 3.554 1.00 0.00 C ATOM 245 C TYR A 16 -7.630 -24.130 4.554 1.00 0.00 C ATOM 246 O TYR A 16 -7.666 -25.361 4.428 1.00 0.00 O ATOM 247 CB TYR A 16 -5.512 -22.772 4.165 1.00 0.00 C ATOM 248 CG TYR A 16 -4.519 -23.900 4.528 1.00 0.00 C ATOM 249 CD1 TYR A 16 -3.674 -24.453 3.561 1.00 0.00 C ATOM 250 CD2 TYR A 16 -4.423 -24.404 5.831 1.00 0.00 C ATOM 251 CE1 TYR A 16 -2.776 -25.457 3.879 1.00 0.00 C ATOM 252 CE2 TYR A 16 -3.529 -25.407 6.148 1.00 0.00 C ATOM 253 CZ TYR A 16 -2.709 -25.929 5.169 1.00 0.00 C ATOM 254 OH TYR A 16 -1.813 -26.927 5.489 1.00 0.00 O ATOM 0 H TYR A 16 -7.324 -21.192 3.489 1.00 0.00 H new ATOM 0 HA TYR A 16 -6.640 -23.853 2.671 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -5.029 -22.098 3.458 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -5.724 -22.193 5.064 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -3.723 -24.089 2.545 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -5.061 -24.000 6.603 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -2.130 -25.868 3.117 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -3.472 -25.782 7.159 1.00 0.00 H new ATOM 0 HH TYR A 16 -0.900 -26.572 5.452 1.00 0.00 H new ATOM 264 N ASN A 17 -8.269 -23.464 5.529 1.00 0.00 N ATOM 265 CA ASN A 17 -9.048 -24.133 6.588 1.00 0.00 C ATOM 266 C ASN A 17 -10.490 -24.409 6.111 1.00 0.00 C ATOM 267 O ASN A 17 -11.117 -25.382 6.538 1.00 0.00 O ATOM 268 CB ASN A 17 -9.055 -23.269 7.877 1.00 0.00 C ATOM 269 CG ASN A 17 -9.801 -21.938 7.722 1.00 0.00 C ATOM 270 OD1 ASN A 17 -11.009 -21.862 7.945 1.00 0.00 O ATOM 271 ND2 ASN A 17 -9.094 -20.880 7.350 1.00 0.00 N ATOM 0 H ASN A 17 -8.261 -22.447 5.607 1.00 0.00 H new ATOM 0 HA ASN A 17 -8.576 -25.089 6.814 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -9.513 -23.840 8.684 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -8.026 -23.066 8.174 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -9.550 -19.974 7.242 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -8.094 -20.972 7.172 1.00 0.00 H new ATOM 278 N ALA A 18 -10.994 -23.541 5.205 1.00 0.00 N ATOM 279 CA ALA A 18 -12.363 -23.655 4.638 1.00 0.00 C ATOM 280 C ALA A 18 -12.407 -24.653 3.465 1.00 0.00 C ATOM 281 O ALA A 18 -13.479 -24.920 2.905 1.00 0.00 O ATOM 282 CB ALA A 18 -12.868 -22.272 4.198 1.00 0.00 C ATOM 0 H ALA A 18 -10.468 -22.744 4.846 1.00 0.00 H new ATOM 0 HA ALA A 18 -13.022 -24.039 5.416 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -13.872 -22.366 3.784 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -12.891 -21.603 5.058 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -12.199 -21.865 3.440 1.00 0.00 H new ATOM 288 N ARG A 19 -11.215 -25.173 3.100 1.00 0.00 N ATOM 289 CA ARG A 19 -11.025 -26.272 2.127 1.00 0.00 C ATOM 290 C ARG A 19 -11.346 -25.847 0.670 1.00 0.00 C ATOM 291 O ARG A 19 -11.604 -26.698 -0.196 1.00 0.00 O ATOM 292 CB ARG A 19 -11.807 -27.554 2.555 1.00 0.00 C ATOM 293 CG ARG A 19 -11.541 -28.020 4.009 1.00 0.00 C ATOM 294 CD ARG A 19 -10.065 -28.334 4.302 1.00 0.00 C ATOM 295 NE ARG A 19 -9.861 -28.651 5.729 1.00 0.00 N ATOM 296 CZ ARG A 19 -9.869 -29.885 6.265 1.00 0.00 C ATOM 297 NH1 ARG A 19 -10.056 -30.965 5.509 1.00 0.00 N ATOM 298 NH2 ARG A 19 -9.718 -30.029 7.571 1.00 0.00 N ATOM 0 H ARG A 19 -10.334 -24.831 3.484 1.00 0.00 H new ATOM 0 HA ARG A 19 -9.964 -26.520 2.137 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -12.875 -27.368 2.437 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -11.548 -28.365 1.875 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -11.881 -27.245 4.696 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -12.138 -28.909 4.210 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -9.741 -29.175 3.690 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -9.447 -27.481 4.024 1.00 0.00 H new ATOM 0 HE ARG A 19 -9.700 -27.868 6.363 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -10.197 -30.866 4.504 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -10.059 -31.892 5.935 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -9.597 -29.208 8.164 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -9.723 -30.961 7.985 1.00 0.00 H new ATOM 312 N ASP A 20 -11.260 -24.531 0.399 1.00 0.00 N ATOM 313 CA ASP A 20 -11.478 -23.972 -0.946 1.00 0.00 C ATOM 314 C ASP A 20 -10.152 -23.890 -1.717 1.00 0.00 C ATOM 315 O ASP A 20 -9.401 -22.926 -1.587 1.00 0.00 O ATOM 316 CB ASP A 20 -12.144 -22.572 -0.856 1.00 0.00 C ATOM 317 CG ASP A 20 -13.541 -22.630 -0.227 1.00 0.00 C ATOM 318 OD1 ASP A 20 -14.513 -22.964 -0.939 1.00 0.00 O ATOM 319 OD2 ASP A 20 -13.676 -22.357 0.983 1.00 0.00 O ATOM 0 H ASP A 20 -11.038 -23.829 1.105 1.00 0.00 H new ATOM 0 HA ASP A 20 -12.151 -24.637 -1.488 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -11.511 -21.908 -0.268 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -12.216 -22.142 -1.855 1.00 0.00 H new ATOM 324 N ILE A 21 -9.880 -24.929 -2.515 1.00 0.00 N ATOM 325 CA ILE A 21 -8.723 -24.973 -3.429 1.00 0.00 C ATOM 326 C ILE A 21 -8.859 -23.921 -4.555 1.00 0.00 C ATOM 327 O ILE A 21 -7.848 -23.415 -5.050 1.00 0.00 O ATOM 328 CB ILE A 21 -8.531 -26.432 -4.016 1.00 0.00 C ATOM 329 CG1 ILE A 21 -8.020 -27.394 -2.901 1.00 0.00 C ATOM 330 CG2 ILE A 21 -7.582 -26.477 -5.250 1.00 0.00 C ATOM 331 CD1 ILE A 21 -6.596 -27.109 -2.450 1.00 0.00 C ATOM 0 H ILE A 21 -10.457 -25.770 -2.548 1.00 0.00 H new ATOM 0 HA ILE A 21 -7.829 -24.722 -2.859 1.00 0.00 H new ATOM 0 HB ILE A 21 -9.509 -26.761 -4.368 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -8.685 -27.323 -2.040 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -8.078 -28.420 -3.265 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -7.493 -27.504 -5.603 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -7.990 -25.853 -6.046 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -6.598 -26.105 -4.966 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -6.311 -27.819 -1.673 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -5.919 -27.209 -3.298 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -6.536 -26.095 -2.055 1.00 0.00 H new ATOM 343 N ASP A 22 -10.114 -23.582 -4.924 1.00 0.00 N ATOM 344 CA ASP A 22 -10.401 -22.597 -5.991 1.00 0.00 C ATOM 345 C ASP A 22 -9.780 -21.222 -5.668 1.00 0.00 C ATOM 346 O ASP A 22 -9.106 -20.638 -6.509 1.00 0.00 O ATOM 347 CB ASP A 22 -11.931 -22.438 -6.215 1.00 0.00 C ATOM 348 CG ASP A 22 -12.630 -23.741 -6.642 1.00 0.00 C ATOM 349 OD1 ASP A 22 -12.413 -24.191 -7.787 1.00 0.00 O ATOM 350 OD2 ASP A 22 -13.385 -24.325 -5.830 1.00 0.00 O ATOM 0 H ASP A 22 -10.950 -23.979 -4.495 1.00 0.00 H new ATOM 0 HA ASP A 22 -9.949 -22.979 -6.906 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -12.389 -22.075 -5.295 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -12.101 -21.678 -6.977 1.00 0.00 H new ATOM 355 N ALA A 23 -9.976 -20.743 -4.424 1.00 0.00 N ATOM 356 CA ALA A 23 -9.416 -19.450 -3.946 1.00 0.00 C ATOM 357 C ALA A 23 -7.950 -19.606 -3.528 1.00 0.00 C ATOM 358 O ALA A 23 -7.136 -18.695 -3.724 1.00 0.00 O ATOM 359 CB ALA A 23 -10.255 -18.900 -2.784 1.00 0.00 C ATOM 0 H ALA A 23 -10.525 -21.235 -3.719 1.00 0.00 H new ATOM 0 HA ALA A 23 -9.455 -18.738 -4.770 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -9.832 -17.954 -2.446 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -11.280 -18.740 -3.119 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -10.249 -19.615 -1.961 1.00 0.00 H new ATOM 365 N PHE A 24 -7.622 -20.787 -2.979 1.00 0.00 N ATOM 366 CA PHE A 24 -6.244 -21.141 -2.585 1.00 0.00 C ATOM 367 C PHE A 24 -5.334 -21.301 -3.840 1.00 0.00 C ATOM 368 O PHE A 24 -4.129 -21.490 -3.710 1.00 0.00 O ATOM 369 CB PHE A 24 -6.264 -22.435 -1.717 1.00 0.00 C ATOM 370 CG PHE A 24 -4.950 -22.752 -1.005 1.00 0.00 C ATOM 371 CD1 PHE A 24 -4.526 -21.976 0.069 1.00 0.00 C ATOM 372 CD2 PHE A 24 -4.130 -23.801 -1.415 1.00 0.00 C ATOM 373 CE1 PHE A 24 -3.327 -22.228 0.705 1.00 0.00 C ATOM 374 CE2 PHE A 24 -2.935 -24.054 -0.772 1.00 0.00 C ATOM 375 CZ PHE A 24 -2.530 -23.268 0.284 1.00 0.00 C ATOM 0 H PHE A 24 -8.302 -21.524 -2.795 1.00 0.00 H new ATOM 0 HA PHE A 24 -5.822 -20.334 -1.985 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -7.052 -22.342 -0.970 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -6.528 -23.279 -2.355 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -5.147 -21.161 0.412 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -4.432 -24.423 -2.245 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -3.014 -21.609 1.533 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -2.313 -24.874 -1.099 1.00 0.00 H new ATOM 0 HZ PHE A 24 -1.591 -23.467 0.779 1.00 0.00 H new ATOM 385 N MET A 25 -5.943 -21.286 -5.051 1.00 0.00 N ATOM 386 CA MET A 25 -5.213 -21.313 -6.343 1.00 0.00 C ATOM 387 C MET A 25 -5.501 -20.077 -7.243 1.00 0.00 C ATOM 388 O MET A 25 -4.679 -19.736 -8.103 1.00 0.00 O ATOM 389 CB MET A 25 -5.543 -22.635 -7.083 1.00 0.00 C ATOM 390 CG MET A 25 -4.931 -22.779 -8.482 1.00 0.00 C ATOM 391 SD MET A 25 -3.168 -22.380 -8.553 1.00 0.00 S ATOM 392 CE MET A 25 -2.461 -23.404 -7.265 1.00 0.00 C ATOM 0 H MET A 25 -6.957 -21.255 -5.160 1.00 0.00 H new ATOM 0 HA MET A 25 -4.147 -21.265 -6.121 1.00 0.00 H new ATOM 0 HB2 MET A 25 -5.203 -23.469 -6.469 1.00 0.00 H new ATOM 0 HB3 MET A 25 -6.626 -22.723 -7.168 1.00 0.00 H new ATOM 0 HG2 MET A 25 -5.077 -23.802 -8.828 1.00 0.00 H new ATOM 0 HG3 MET A 25 -5.469 -22.129 -9.172 1.00 0.00 H new ATOM 0 HE1 MET A 25 -1.435 -23.091 -7.073 1.00 0.00 H new ATOM 0 HE2 MET A 25 -3.049 -23.299 -6.353 1.00 0.00 H new ATOM 0 HE3 MET A 25 -2.469 -24.446 -7.584 1.00 0.00 H new ATOM 402 N ALA A 26 -6.639 -19.394 -7.031 1.00 0.00 N ATOM 403 CA ALA A 26 -7.075 -18.256 -7.900 1.00 0.00 C ATOM 404 C ALA A 26 -6.079 -17.081 -7.874 1.00 0.00 C ATOM 405 O ALA A 26 -5.951 -16.333 -8.851 1.00 0.00 O ATOM 406 CB ALA A 26 -8.467 -17.759 -7.486 1.00 0.00 C ATOM 0 H ALA A 26 -7.283 -19.601 -6.268 1.00 0.00 H new ATOM 0 HA ALA A 26 -7.111 -18.640 -8.920 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -8.765 -16.932 -8.130 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -9.187 -18.572 -7.583 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -8.439 -17.420 -6.450 1.00 0.00 H new ATOM 412 N TRP A 27 -5.377 -16.943 -6.747 1.00 0.00 N ATOM 413 CA TRP A 27 -4.416 -15.855 -6.510 1.00 0.00 C ATOM 414 C TRP A 27 -2.971 -16.254 -6.870 1.00 0.00 C ATOM 415 O TRP A 27 -2.029 -15.507 -6.575 1.00 0.00 O ATOM 416 CB TRP A 27 -4.509 -15.441 -5.037 1.00 0.00 C ATOM 417 CG TRP A 27 -5.827 -14.812 -4.658 1.00 0.00 C ATOM 418 CD1 TRP A 27 -6.918 -15.440 -4.142 1.00 0.00 C ATOM 419 CD2 TRP A 27 -6.178 -13.422 -4.771 1.00 0.00 C ATOM 420 NE1 TRP A 27 -7.914 -14.538 -3.916 1.00 0.00 N ATOM 421 CE2 TRP A 27 -7.491 -13.290 -4.303 1.00 0.00 C ATOM 422 CE3 TRP A 27 -5.501 -12.281 -5.220 1.00 0.00 C ATOM 423 CZ2 TRP A 27 -8.154 -12.061 -4.269 1.00 0.00 C ATOM 424 CZ3 TRP A 27 -6.154 -11.063 -5.187 1.00 0.00 C ATOM 425 CH2 TRP A 27 -7.470 -10.960 -4.713 1.00 0.00 C ATOM 0 H TRP A 27 -5.458 -17.589 -5.962 1.00 0.00 H new ATOM 0 HA TRP A 27 -4.672 -15.019 -7.160 1.00 0.00 H new ATOM 0 HB2 TRP A 27 -4.344 -16.319 -4.412 1.00 0.00 H new ATOM 0 HB3 TRP A 27 -3.706 -14.738 -4.817 1.00 0.00 H new ATOM 0 HD1 TRP A 27 -6.985 -16.499 -3.941 1.00 0.00 H new ATOM 0 HE1 TRP A 27 -8.829 -14.755 -3.522 1.00 0.00 H new ATOM 0 HE3 TRP A 27 -4.487 -12.351 -5.585 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 -9.168 -11.982 -3.906 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 -5.643 -10.176 -5.532 1.00 0.00 H new ATOM 0 HH2 TRP A 27 -7.953 -9.994 -4.698 1.00 0.00 H new ATOM 436 N TRP A 28 -2.807 -17.412 -7.516 1.00 0.00 N ATOM 437 CA TRP A 28 -1.500 -17.918 -7.964 1.00 0.00 C ATOM 438 C TRP A 28 -1.341 -17.696 -9.467 1.00 0.00 C ATOM 439 O TRP A 28 -2.330 -17.604 -10.207 1.00 0.00 O ATOM 440 CB TRP A 28 -1.370 -19.428 -7.645 1.00 0.00 C ATOM 441 CG TRP A 28 -1.342 -19.767 -6.173 1.00 0.00 C ATOM 442 CD1 TRP A 28 -2.301 -19.494 -5.231 1.00 0.00 C ATOM 443 CD2 TRP A 28 -0.305 -20.479 -5.486 1.00 0.00 C ATOM 444 NE1 TRP A 28 -1.908 -19.984 -4.015 1.00 0.00 N ATOM 445 CE2 TRP A 28 -0.690 -20.593 -4.145 1.00 0.00 C ATOM 446 CE3 TRP A 28 0.917 -21.025 -5.877 1.00 0.00 C ATOM 447 CZ2 TRP A 28 0.093 -21.237 -3.194 1.00 0.00 C ATOM 448 CZ3 TRP A 28 1.696 -21.660 -4.931 1.00 0.00 C ATOM 449 CH2 TRP A 28 1.277 -21.764 -3.602 1.00 0.00 C ATOM 0 H TRP A 28 -3.583 -18.033 -7.746 1.00 0.00 H new ATOM 0 HA TRP A 28 -0.717 -17.375 -7.435 1.00 0.00 H new ATOM 0 HB2 TRP A 28 -2.204 -19.955 -8.109 1.00 0.00 H new ATOM 0 HB3 TRP A 28 -0.458 -19.805 -8.107 1.00 0.00 H new ATOM 0 HD1 TRP A 28 -3.227 -18.971 -5.420 1.00 0.00 H new ATOM 0 HE1 TRP A 28 -2.440 -19.907 -3.148 1.00 0.00 H new ATOM 0 HE3 TRP A 28 1.248 -20.952 -6.902 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 -0.229 -21.316 -2.166 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 2.646 -22.084 -5.223 1.00 0.00 H new ATOM 0 HH2 TRP A 28 1.906 -22.273 -2.886 1.00 0.00 H new ATOM 460 N ALA A 29 -0.076 -17.574 -9.896 1.00 0.00 N ATOM 461 CA ALA A 29 0.297 -17.606 -11.312 1.00 0.00 C ATOM 462 C ALA A 29 0.206 -19.060 -11.810 1.00 0.00 C ATOM 463 O ALA A 29 0.597 -19.982 -11.090 1.00 0.00 O ATOM 464 CB ALA A 29 1.711 -17.039 -11.506 1.00 0.00 C ATOM 0 H ALA A 29 0.717 -17.450 -9.266 1.00 0.00 H new ATOM 0 HA ALA A 29 -0.385 -16.985 -11.893 1.00 0.00 H new ATOM 0 HB1 ALA A 29 1.973 -17.070 -12.563 1.00 0.00 H new ATOM 0 HB2 ALA A 29 1.741 -16.008 -11.155 1.00 0.00 H new ATOM 0 HB3 ALA A 29 2.424 -17.637 -10.938 1.00 0.00 H new ATOM 470 N ASP A 30 -0.291 -19.253 -13.039 1.00 0.00 N ATOM 471 CA ASP A 30 -0.544 -20.596 -13.613 1.00 0.00 C ATOM 472 C ASP A 30 0.773 -21.384 -13.881 1.00 0.00 C ATOM 473 O ASP A 30 0.751 -22.599 -14.118 1.00 0.00 O ATOM 474 CB ASP A 30 -1.397 -20.457 -14.899 1.00 0.00 C ATOM 475 CG ASP A 30 -1.816 -21.809 -15.516 1.00 0.00 C ATOM 476 OD1 ASP A 30 -2.604 -22.553 -14.874 1.00 0.00 O ATOM 477 OD2 ASP A 30 -1.372 -22.132 -16.637 1.00 0.00 O ATOM 0 H ASP A 30 -0.531 -18.488 -13.669 1.00 0.00 H new ATOM 0 HA ASP A 30 -1.099 -21.181 -12.880 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -2.293 -19.880 -14.670 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -0.833 -19.889 -15.639 1.00 0.00 H new ATOM 482 N ASP A 31 1.920 -20.689 -13.800 1.00 0.00 N ATOM 483 CA ASP A 31 3.259 -21.273 -14.020 1.00 0.00 C ATOM 484 C ASP A 31 4.117 -21.211 -12.731 1.00 0.00 C ATOM 485 O ASP A 31 5.350 -21.292 -12.797 1.00 0.00 O ATOM 486 CB ASP A 31 3.950 -20.542 -15.200 1.00 0.00 C ATOM 487 CG ASP A 31 3.169 -20.674 -16.517 1.00 0.00 C ATOM 488 OD1 ASP A 31 3.230 -21.748 -17.154 1.00 0.00 O ATOM 489 OD2 ASP A 31 2.467 -19.709 -16.903 1.00 0.00 O ATOM 0 H ASP A 31 1.947 -19.694 -13.577 1.00 0.00 H new ATOM 0 HA ASP A 31 3.151 -22.327 -14.275 1.00 0.00 H new ATOM 0 HB2 ASP A 31 4.062 -19.486 -14.953 1.00 0.00 H new ATOM 0 HB3 ASP A 31 4.953 -20.946 -15.335 1.00 0.00 H new ATOM 494 N CYS A 32 3.442 -21.081 -11.566 1.00 0.00 N ATOM 495 CA CYS A 32 4.099 -20.891 -10.248 1.00 0.00 C ATOM 496 C CYS A 32 5.052 -22.047 -9.853 1.00 0.00 C ATOM 497 O CYS A 32 4.810 -23.207 -10.184 1.00 0.00 O ATOM 498 CB CYS A 32 3.045 -20.702 -9.149 1.00 0.00 C ATOM 499 SG CYS A 32 3.736 -20.450 -7.495 1.00 0.00 S ATOM 0 H CYS A 32 2.424 -21.105 -11.511 1.00 0.00 H new ATOM 0 HA CYS A 32 4.712 -19.995 -10.348 1.00 0.00 H new ATOM 0 HB2 CYS A 32 2.420 -19.846 -9.404 1.00 0.00 H new ATOM 0 HB3 CYS A 32 2.395 -21.577 -9.130 1.00 0.00 H new ATOM 0 HG CYS A 32 2.907 -20.906 -6.604 1.00 0.00 H new ATOM 505 N GLN A 33 6.126 -21.694 -9.115 1.00 0.00 N ATOM 506 CA GLN A 33 7.201 -22.628 -8.712 1.00 0.00 C ATOM 507 C GLN A 33 7.090 -22.943 -7.213 1.00 0.00 C ATOM 508 O GLN A 33 7.439 -22.112 -6.374 1.00 0.00 O ATOM 509 CB GLN A 33 8.582 -21.993 -9.029 1.00 0.00 C ATOM 510 CG GLN A 33 8.789 -21.633 -10.510 1.00 0.00 C ATOM 511 CD GLN A 33 8.841 -22.843 -11.440 1.00 0.00 C ATOM 512 OE1 GLN A 33 9.898 -23.440 -11.638 1.00 0.00 O ATOM 513 NE2 GLN A 33 7.708 -23.199 -12.039 1.00 0.00 N ATOM 0 H GLN A 33 6.273 -20.743 -8.778 1.00 0.00 H new ATOM 0 HA GLN A 33 7.100 -23.559 -9.269 1.00 0.00 H new ATOM 0 HB2 GLN A 33 8.701 -21.091 -8.428 1.00 0.00 H new ATOM 0 HB3 GLN A 33 9.366 -22.686 -8.723 1.00 0.00 H new ATOM 0 HG2 GLN A 33 7.981 -20.976 -10.830 1.00 0.00 H new ATOM 0 HG3 GLN A 33 9.717 -21.070 -10.611 1.00 0.00 H new ATOM 0 HE21 GLN A 33 6.848 -22.682 -11.853 1.00 0.00 H new ATOM 0 HE22 GLN A 33 7.699 -23.989 -12.685 1.00 0.00 H new ATOM 522 N TYR A 34 6.613 -24.151 -6.896 1.00 0.00 N ATOM 523 CA TYR A 34 6.318 -24.574 -5.517 1.00 0.00 C ATOM 524 C TYR A 34 7.429 -25.491 -4.986 1.00 0.00 C ATOM 525 O TYR A 34 7.608 -26.607 -5.478 1.00 0.00 O ATOM 526 CB TYR A 34 4.961 -25.310 -5.485 1.00 0.00 C ATOM 527 CG TYR A 34 4.397 -25.566 -4.083 1.00 0.00 C ATOM 528 CD1 TYR A 34 3.832 -24.526 -3.345 1.00 0.00 C ATOM 529 CD2 TYR A 34 4.406 -26.845 -3.510 1.00 0.00 C ATOM 530 CE1 TYR A 34 3.296 -24.743 -2.095 1.00 0.00 C ATOM 531 CE2 TYR A 34 3.873 -27.063 -2.253 1.00 0.00 C ATOM 532 CZ TYR A 34 3.318 -26.010 -1.553 1.00 0.00 C ATOM 533 OH TYR A 34 2.759 -26.228 -0.310 1.00 0.00 O ATOM 0 H TYR A 34 6.418 -24.871 -7.592 1.00 0.00 H new ATOM 0 HA TYR A 34 6.267 -23.692 -4.878 1.00 0.00 H new ATOM 0 HB2 TYR A 34 4.235 -24.727 -6.052 1.00 0.00 H new ATOM 0 HB3 TYR A 34 5.071 -26.266 -5.996 1.00 0.00 H new ATOM 0 HD1 TYR A 34 3.814 -23.530 -3.762 1.00 0.00 H new ATOM 0 HD2 TYR A 34 4.835 -27.671 -4.058 1.00 0.00 H new ATOM 0 HE1 TYR A 34 2.860 -23.924 -1.542 1.00 0.00 H new ATOM 0 HE2 TYR A 34 3.891 -28.052 -1.821 1.00 0.00 H new ATOM 0 HH TYR A 34 1.785 -26.295 -0.397 1.00 0.00 H new ATOM 543 N TYR A 35 8.176 -24.997 -3.992 1.00 0.00 N ATOM 544 CA TYR A 35 9.215 -25.762 -3.291 1.00 0.00 C ATOM 545 C TYR A 35 8.736 -26.146 -1.882 1.00 0.00 C ATOM 546 O TYR A 35 7.903 -25.457 -1.275 1.00 0.00 O ATOM 547 CB TYR A 35 10.534 -24.950 -3.202 1.00 0.00 C ATOM 548 CG TYR A 35 11.208 -24.655 -4.560 1.00 0.00 C ATOM 549 CD1 TYR A 35 10.621 -23.793 -5.494 1.00 0.00 C ATOM 550 CD2 TYR A 35 12.427 -25.239 -4.907 1.00 0.00 C ATOM 551 CE1 TYR A 35 11.226 -23.530 -6.708 1.00 0.00 C ATOM 552 CE2 TYR A 35 13.033 -24.977 -6.121 1.00 0.00 C ATOM 553 CZ TYR A 35 12.429 -24.127 -7.020 1.00 0.00 C ATOM 554 OH TYR A 35 13.032 -23.883 -8.237 1.00 0.00 O ATOM 0 H TYR A 35 8.075 -24.042 -3.647 1.00 0.00 H new ATOM 0 HA TYR A 35 9.409 -26.672 -3.860 1.00 0.00 H new ATOM 0 HB2 TYR A 35 10.328 -24.004 -2.702 1.00 0.00 H new ATOM 0 HB3 TYR A 35 11.238 -25.496 -2.574 1.00 0.00 H new ATOM 0 HD1 TYR A 35 9.676 -23.324 -5.261 1.00 0.00 H new ATOM 0 HD2 TYR A 35 12.908 -25.911 -4.211 1.00 0.00 H new ATOM 0 HE1 TYR A 35 10.757 -22.858 -7.411 1.00 0.00 H new ATOM 0 HE2 TYR A 35 13.979 -25.438 -6.364 1.00 0.00 H new ATOM 0 HH TYR A 35 13.873 -24.383 -8.291 1.00 0.00 H new ATOM 564 N ALA A 36 9.286 -27.259 -1.385 1.00 0.00 N ATOM 565 CA ALA A 36 9.043 -27.770 -0.028 1.00 0.00 C ATOM 566 C ALA A 36 10.341 -27.760 0.766 1.00 0.00 C ATOM 567 O ALA A 36 11.415 -27.675 0.183 1.00 0.00 O ATOM 568 CB ALA A 36 8.483 -29.198 -0.088 1.00 0.00 C ATOM 0 H ALA A 36 9.926 -27.843 -1.924 1.00 0.00 H new ATOM 0 HA ALA A 36 8.313 -27.127 0.464 1.00 0.00 H new ATOM 0 HB1 ALA A 36 8.308 -29.563 0.924 1.00 0.00 H new ATOM 0 HB2 ALA A 36 7.544 -29.198 -0.641 1.00 0.00 H new ATOM 0 HB3 ALA A 36 9.199 -29.849 -0.590 1.00 0.00 H new ATOM 574 N PHE A 37 10.222 -27.835 2.096 1.00 0.00 N ATOM 575 CA PHE A 37 11.370 -27.960 3.015 1.00 0.00 C ATOM 576 C PHE A 37 12.218 -29.225 2.654 1.00 0.00 C ATOM 577 O PHE A 37 11.649 -30.323 2.577 1.00 0.00 O ATOM 578 CB PHE A 37 10.836 -28.034 4.469 1.00 0.00 C ATOM 579 CG PHE A 37 11.911 -28.006 5.554 1.00 0.00 C ATOM 580 CD1 PHE A 37 12.472 -26.797 5.961 1.00 0.00 C ATOM 581 CD2 PHE A 37 12.357 -29.177 6.169 1.00 0.00 C ATOM 582 CE1 PHE A 37 13.440 -26.757 6.943 1.00 0.00 C ATOM 583 CE2 PHE A 37 13.325 -29.134 7.152 1.00 0.00 C ATOM 584 CZ PHE A 37 13.865 -27.925 7.538 1.00 0.00 C ATOM 0 H PHE A 37 9.321 -27.811 2.574 1.00 0.00 H new ATOM 0 HA PHE A 37 12.023 -27.092 2.920 1.00 0.00 H new ATOM 0 HB2 PHE A 37 10.154 -27.199 4.633 1.00 0.00 H new ATOM 0 HB3 PHE A 37 10.253 -28.948 4.580 1.00 0.00 H new ATOM 0 HD1 PHE A 37 12.144 -25.877 5.500 1.00 0.00 H new ATOM 0 HD2 PHE A 37 11.940 -30.128 5.872 1.00 0.00 H new ATOM 0 HE1 PHE A 37 13.864 -25.811 7.245 1.00 0.00 H new ATOM 0 HE2 PHE A 37 13.660 -30.048 7.619 1.00 0.00 H new ATOM 0 HZ PHE A 37 14.622 -27.894 8.308 1.00 0.00 H new ATOM 594 N PRO A 38 13.578 -29.116 2.408 1.00 0.00 N ATOM 595 CA PRO A 38 14.379 -27.859 2.504 1.00 0.00 C ATOM 596 C PRO A 38 14.120 -26.852 1.336 1.00 0.00 C ATOM 597 O PRO A 38 13.705 -25.714 1.588 1.00 0.00 O ATOM 598 CB PRO A 38 15.842 -28.381 2.515 1.00 0.00 C ATOM 599 CG PRO A 38 15.797 -29.668 1.744 1.00 0.00 C ATOM 600 CD PRO A 38 14.442 -30.278 2.040 1.00 0.00 C ATOM 0 HA PRO A 38 14.116 -27.274 3.385 1.00 0.00 H new ATOM 0 HB2 PRO A 38 16.521 -27.665 2.051 1.00 0.00 H new ATOM 0 HB3 PRO A 38 16.197 -28.542 3.533 1.00 0.00 H new ATOM 0 HG2 PRO A 38 15.920 -29.489 0.676 1.00 0.00 H new ATOM 0 HG3 PRO A 38 16.602 -30.336 2.050 1.00 0.00 H new ATOM 0 HD2 PRO A 38 14.047 -30.807 1.172 1.00 0.00 H new ATOM 0 HD3 PRO A 38 14.502 -31.001 2.854 1.00 0.00 H new ATOM 608 N ALA A 39 14.318 -27.296 0.070 1.00 0.00 N ATOM 609 CA ALA A 39 14.065 -26.474 -1.134 1.00 0.00 C ATOM 610 C ALA A 39 13.900 -27.396 -2.363 1.00 0.00 C ATOM 611 O ALA A 39 14.641 -27.298 -3.346 1.00 0.00 O ATOM 612 CB ALA A 39 15.189 -25.429 -1.334 1.00 0.00 C ATOM 0 H ALA A 39 14.658 -28.234 -0.142 1.00 0.00 H new ATOM 0 HA ALA A 39 13.138 -25.915 -1.004 1.00 0.00 H new ATOM 0 HB1 ALA A 39 14.981 -24.837 -2.225 1.00 0.00 H new ATOM 0 HB2 ALA A 39 15.235 -24.773 -0.465 1.00 0.00 H new ATOM 0 HB3 ALA A 39 16.144 -25.940 -1.453 1.00 0.00 H new ATOM 618 N THR A 40 12.923 -28.314 -2.273 1.00 0.00 N ATOM 619 CA THR A 40 12.630 -29.317 -3.318 1.00 0.00 C ATOM 620 C THR A 40 11.446 -28.856 -4.194 1.00 0.00 C ATOM 621 O THR A 40 10.322 -28.760 -3.689 1.00 0.00 O ATOM 622 CB THR A 40 12.279 -30.692 -2.650 1.00 0.00 C ATOM 623 OG1 THR A 40 13.307 -31.053 -1.712 1.00 0.00 O ATOM 624 CG2 THR A 40 12.105 -31.826 -3.687 1.00 0.00 C ATOM 0 H THR A 40 12.306 -28.384 -1.464 1.00 0.00 H new ATOM 0 HA THR A 40 13.513 -29.429 -3.948 1.00 0.00 H new ATOM 0 HB THR A 40 11.325 -30.568 -2.137 1.00 0.00 H new ATOM 0 HG1 THR A 40 13.083 -31.911 -1.296 1.00 0.00 H new ATOM 0 HG21 THR A 40 11.863 -32.756 -3.172 1.00 0.00 H new ATOM 0 HG22 THR A 40 11.298 -31.571 -4.373 1.00 0.00 H new ATOM 0 HG23 THR A 40 13.031 -31.952 -4.247 1.00 0.00 H new ATOM 632 N LEU A 41 11.697 -28.566 -5.494 1.00 0.00 N ATOM 633 CA LEU A 41 10.629 -28.168 -6.440 1.00 0.00 C ATOM 634 C LEU A 41 9.657 -29.344 -6.651 1.00 0.00 C ATOM 635 O LEU A 41 9.978 -30.318 -7.344 1.00 0.00 O ATOM 636 CB LEU A 41 11.223 -27.678 -7.800 1.00 0.00 C ATOM 637 CG LEU A 41 10.194 -27.190 -8.887 1.00 0.00 C ATOM 638 CD1 LEU A 41 9.267 -26.076 -8.355 1.00 0.00 C ATOM 639 CD2 LEU A 41 10.916 -26.723 -10.177 1.00 0.00 C ATOM 0 H LEU A 41 12.628 -28.601 -5.909 1.00 0.00 H new ATOM 0 HA LEU A 41 10.081 -27.330 -6.010 1.00 0.00 H new ATOM 0 HB2 LEU A 41 11.914 -26.860 -7.594 1.00 0.00 H new ATOM 0 HB3 LEU A 41 11.810 -28.491 -8.228 1.00 0.00 H new ATOM 0 HG LEU A 41 9.569 -28.049 -9.132 1.00 0.00 H new ATOM 0 HD11 LEU A 41 8.575 -25.772 -9.141 1.00 0.00 H new ATOM 0 HD12 LEU A 41 8.704 -26.449 -7.500 1.00 0.00 H new ATOM 0 HD13 LEU A 41 9.867 -25.219 -8.049 1.00 0.00 H new ATOM 0 HD21 LEU A 41 10.178 -26.392 -10.908 1.00 0.00 H new ATOM 0 HD22 LEU A 41 11.587 -25.897 -9.940 1.00 0.00 H new ATOM 0 HD23 LEU A 41 11.492 -27.551 -10.592 1.00 0.00 H new ATOM 651 N LEU A 42 8.491 -29.255 -5.988 1.00 0.00 N ATOM 652 CA LEU A 42 7.419 -30.248 -6.102 1.00 0.00 C ATOM 653 C LEU A 42 6.631 -30.045 -7.401 1.00 0.00 C ATOM 654 O LEU A 42 6.284 -31.009 -8.085 1.00 0.00 O ATOM 655 CB LEU A 42 6.446 -30.152 -4.894 1.00 0.00 C ATOM 656 CG LEU A 42 7.049 -30.404 -3.473 1.00 0.00 C ATOM 657 CD1 LEU A 42 5.940 -30.377 -2.391 1.00 0.00 C ATOM 658 CD2 LEU A 42 7.857 -31.724 -3.414 1.00 0.00 C ATOM 0 H LEU A 42 8.269 -28.486 -5.356 1.00 0.00 H new ATOM 0 HA LEU A 42 7.882 -31.235 -6.111 1.00 0.00 H new ATOM 0 HB2 LEU A 42 5.996 -29.159 -4.900 1.00 0.00 H new ATOM 0 HB3 LEU A 42 5.639 -30.868 -5.051 1.00 0.00 H new ATOM 0 HG LEU A 42 7.747 -29.593 -3.266 1.00 0.00 H new ATOM 0 HD11 LEU A 42 6.383 -30.555 -1.411 1.00 0.00 H new ATOM 0 HD12 LEU A 42 5.450 -29.403 -2.396 1.00 0.00 H new ATOM 0 HD13 LEU A 42 5.206 -31.154 -2.603 1.00 0.00 H new ATOM 0 HD21 LEU A 42 8.258 -31.860 -2.410 1.00 0.00 H new ATOM 0 HD22 LEU A 42 7.204 -32.561 -3.661 1.00 0.00 H new ATOM 0 HD23 LEU A 42 8.678 -31.680 -4.130 1.00 0.00 H new ATOM 670 N ALA A 43 6.350 -28.773 -7.719 1.00 0.00 N ATOM 671 CA ALA A 43 5.422 -28.407 -8.793 1.00 0.00 C ATOM 672 C ALA A 43 5.944 -27.202 -9.583 1.00 0.00 C ATOM 673 O ALA A 43 6.043 -26.101 -9.040 1.00 0.00 O ATOM 674 CB ALA A 43 4.064 -28.104 -8.160 1.00 0.00 C ATOM 0 H ALA A 43 6.760 -27.972 -7.239 1.00 0.00 H new ATOM 0 HA ALA A 43 5.326 -29.231 -9.501 1.00 0.00 H new ATOM 0 HB1 ALA A 43 3.353 -27.828 -8.939 1.00 0.00 H new ATOM 0 HB2 ALA A 43 3.702 -28.988 -7.635 1.00 0.00 H new ATOM 0 HB3 ALA A 43 4.167 -27.280 -7.455 1.00 0.00 H new ATOM 680 N GLY A 44 6.248 -27.420 -10.874 1.00 0.00 N ATOM 681 CA GLY A 44 6.771 -26.369 -11.753 1.00 0.00 C ATOM 682 C GLY A 44 5.681 -25.735 -12.607 1.00 0.00 C ATOM 683 O GLY A 44 5.879 -25.513 -13.808 1.00 0.00 O ATOM 0 H GLY A 44 6.138 -28.325 -11.332 1.00 0.00 H new ATOM 0 HA2 GLY A 44 7.251 -25.599 -11.149 1.00 0.00 H new ATOM 0 HA3 GLY A 44 7.539 -26.790 -12.402 1.00 0.00 H new ATOM 687 N ASN A 45 4.559 -25.413 -11.942 1.00 0.00 N ATOM 688 CA ASN A 45 3.285 -24.922 -12.539 1.00 0.00 C ATOM 689 C ASN A 45 2.161 -25.081 -11.496 1.00 0.00 C ATOM 690 O ASN A 45 2.221 -25.981 -10.644 1.00 0.00 O ATOM 691 CB ASN A 45 2.858 -25.628 -13.868 1.00 0.00 C ATOM 692 CG ASN A 45 2.577 -27.122 -13.714 1.00 0.00 C ATOM 693 OD1 ASN A 45 1.459 -27.531 -13.427 1.00 0.00 O ATOM 694 ND2 ASN A 45 3.590 -27.947 -13.915 1.00 0.00 N ATOM 0 H ASN A 45 4.503 -25.488 -10.926 1.00 0.00 H new ATOM 0 HA ASN A 45 3.458 -23.880 -12.807 1.00 0.00 H new ATOM 0 HB2 ASN A 45 1.965 -25.139 -14.257 1.00 0.00 H new ATOM 0 HB3 ASN A 45 3.645 -25.491 -14.610 1.00 0.00 H new ATOM 0 HD21 ASN A 45 3.452 -28.954 -13.832 1.00 0.00 H new ATOM 0 HD22 ASN A 45 4.510 -27.576 -14.153 1.00 0.00 H new ATOM 701 N ALA A 46 1.125 -24.234 -11.600 1.00 0.00 N ATOM 702 CA ALA A 46 0.020 -24.156 -10.616 1.00 0.00 C ATOM 703 C ALA A 46 -0.887 -25.407 -10.614 1.00 0.00 C ATOM 704 O ALA A 46 -1.560 -25.674 -9.602 1.00 0.00 O ATOM 705 CB ALA A 46 -0.800 -22.883 -10.841 1.00 0.00 C ATOM 0 H ALA A 46 1.025 -23.577 -12.373 1.00 0.00 H new ATOM 0 HA ALA A 46 0.480 -24.119 -9.628 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -1.609 -22.838 -10.112 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -0.157 -22.011 -10.725 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -1.219 -22.893 -11.847 1.00 0.00 H new ATOM 711 N ALA A 47 -0.919 -26.154 -11.743 1.00 0.00 N ATOM 712 CA ALA A 47 -1.760 -27.370 -11.878 1.00 0.00 C ATOM 713 C ALA A 47 -1.376 -28.428 -10.840 1.00 0.00 C ATOM 714 O ALA A 47 -2.233 -28.956 -10.140 1.00 0.00 O ATOM 715 CB ALA A 47 -1.665 -27.971 -13.287 1.00 0.00 C ATOM 0 H ALA A 47 -0.371 -25.936 -12.576 1.00 0.00 H new ATOM 0 HA ALA A 47 -2.791 -27.061 -11.703 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -2.294 -28.859 -13.347 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -2.003 -27.237 -14.019 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -0.631 -28.244 -13.497 1.00 0.00 H new ATOM 721 N GLU A 48 -0.071 -28.708 -10.727 1.00 0.00 N ATOM 722 CA GLU A 48 0.441 -29.728 -9.790 1.00 0.00 C ATOM 723 C GLU A 48 0.303 -29.243 -8.326 1.00 0.00 C ATOM 724 O GLU A 48 0.114 -30.055 -7.414 1.00 0.00 O ATOM 725 CB GLU A 48 1.916 -30.069 -10.112 1.00 0.00 C ATOM 726 CG GLU A 48 2.213 -30.359 -11.588 1.00 0.00 C ATOM 727 CD GLU A 48 3.678 -30.765 -11.826 1.00 0.00 C ATOM 728 OE1 GLU A 48 4.552 -29.870 -11.874 1.00 0.00 O ATOM 729 OE2 GLU A 48 3.964 -31.977 -11.957 1.00 0.00 O ATOM 0 H GLU A 48 0.655 -28.243 -11.273 1.00 0.00 H new ATOM 0 HA GLU A 48 -0.156 -30.632 -9.909 1.00 0.00 H new ATOM 0 HB2 GLU A 48 2.543 -29.238 -9.788 1.00 0.00 H new ATOM 0 HB3 GLU A 48 2.208 -30.938 -9.522 1.00 0.00 H new ATOM 0 HG2 GLU A 48 1.557 -31.156 -11.937 1.00 0.00 H new ATOM 0 HG3 GLU A 48 1.983 -29.474 -12.182 1.00 0.00 H new ATOM 736 N ILE A 49 0.381 -27.907 -8.130 1.00 0.00 N ATOM 737 CA ILE A 49 0.281 -27.269 -6.796 1.00 0.00 C ATOM 738 C ILE A 49 -1.115 -27.493 -6.190 1.00 0.00 C ATOM 739 O ILE A 49 -1.242 -27.971 -5.055 1.00 0.00 O ATOM 740 CB ILE A 49 0.559 -25.717 -6.874 1.00 0.00 C ATOM 741 CG1 ILE A 49 1.953 -25.430 -7.499 1.00 0.00 C ATOM 742 CG2 ILE A 49 0.436 -25.044 -5.486 1.00 0.00 C ATOM 743 CD1 ILE A 49 2.310 -23.964 -7.679 1.00 0.00 C ATOM 0 H ILE A 49 0.515 -27.241 -8.891 1.00 0.00 H new ATOM 0 HA ILE A 49 1.038 -27.733 -6.163 1.00 0.00 H new ATOM 0 HB ILE A 49 -0.204 -25.284 -7.521 1.00 0.00 H new ATOM 0 HG12 ILE A 49 2.714 -25.895 -6.872 1.00 0.00 H new ATOM 0 HG13 ILE A 49 2.001 -25.918 -8.473 1.00 0.00 H new ATOM 0 HG21 ILE A 49 0.634 -23.976 -5.580 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -0.571 -25.193 -5.097 1.00 0.00 H new ATOM 0 HG23 ILE A 49 1.158 -25.488 -4.801 1.00 0.00 H new ATOM 0 HD11 ILE A 49 3.303 -23.883 -8.122 1.00 0.00 H new ATOM 0 HD12 ILE A 49 1.580 -23.490 -8.335 1.00 0.00 H new ATOM 0 HD13 ILE A 49 2.304 -23.466 -6.709 1.00 0.00 H new ATOM 755 N ARG A 50 -2.156 -27.146 -6.975 1.00 0.00 N ATOM 756 CA ARG A 50 -3.556 -27.202 -6.520 1.00 0.00 C ATOM 757 C ARG A 50 -3.966 -28.658 -6.216 1.00 0.00 C ATOM 758 O ARG A 50 -4.540 -28.931 -5.163 1.00 0.00 O ATOM 759 CB ARG A 50 -4.497 -26.533 -7.574 1.00 0.00 C ATOM 760 CG ARG A 50 -4.569 -27.240 -8.945 1.00 0.00 C ATOM 761 CD ARG A 50 -5.288 -26.429 -10.045 1.00 0.00 C ATOM 762 NE ARG A 50 -4.483 -25.278 -10.525 1.00 0.00 N ATOM 763 CZ ARG A 50 -4.431 -24.842 -11.801 1.00 0.00 C ATOM 764 NH1 ARG A 50 -5.027 -25.522 -12.770 1.00 0.00 N ATOM 765 NH2 ARG A 50 -3.747 -23.743 -12.099 1.00 0.00 N ATOM 0 H ARG A 50 -2.048 -26.821 -7.936 1.00 0.00 H new ATOM 0 HA ARG A 50 -3.654 -26.638 -5.592 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -5.503 -26.483 -7.157 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -4.166 -25.506 -7.731 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -3.556 -27.463 -9.279 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -5.081 -28.194 -8.821 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -5.514 -27.085 -10.886 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -6.240 -26.066 -9.659 1.00 0.00 H new ATOM 0 HE ARG A 50 -3.924 -24.776 -9.835 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -5.530 -26.383 -12.554 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -4.982 -25.185 -13.732 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -3.262 -23.229 -11.364 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -3.707 -23.413 -13.063 1.00 0.00 H new ATOM 779 N VAL A 51 -3.563 -29.582 -7.112 1.00 0.00 N ATOM 780 CA VAL A 51 -3.921 -31.015 -7.044 1.00 0.00 C ATOM 781 C VAL A 51 -3.257 -31.715 -5.834 1.00 0.00 C ATOM 782 O VAL A 51 -3.894 -32.531 -5.152 1.00 0.00 O ATOM 783 CB VAL A 51 -3.547 -31.730 -8.403 1.00 0.00 C ATOM 784 CG1 VAL A 51 -3.766 -33.260 -8.350 1.00 0.00 C ATOM 785 CG2 VAL A 51 -4.349 -31.123 -9.581 1.00 0.00 C ATOM 0 H VAL A 51 -2.973 -29.352 -7.912 1.00 0.00 H new ATOM 0 HA VAL A 51 -4.998 -31.091 -6.897 1.00 0.00 H new ATOM 0 HB VAL A 51 -2.482 -31.558 -8.562 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -3.494 -33.700 -9.309 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -3.145 -33.689 -7.564 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -4.815 -33.470 -8.139 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -4.076 -31.630 -10.507 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -5.416 -31.250 -9.399 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -4.120 -30.061 -9.668 1.00 0.00 H new ATOM 795 N ARG A 52 -1.991 -31.355 -5.551 1.00 0.00 N ATOM 796 CA ARG A 52 -1.233 -31.926 -4.411 1.00 0.00 C ATOM 797 C ARG A 52 -1.781 -31.400 -3.069 1.00 0.00 C ATOM 798 O ARG A 52 -1.713 -32.086 -2.045 1.00 0.00 O ATOM 799 CB ARG A 52 0.283 -31.619 -4.538 1.00 0.00 C ATOM 800 CG ARG A 52 1.167 -32.371 -3.514 1.00 0.00 C ATOM 801 CD ARG A 52 2.675 -32.122 -3.704 1.00 0.00 C ATOM 802 NE ARG A 52 3.489 -33.045 -2.883 1.00 0.00 N ATOM 803 CZ ARG A 52 3.925 -34.255 -3.284 1.00 0.00 C ATOM 804 NH1 ARG A 52 3.675 -34.702 -4.516 1.00 0.00 N ATOM 805 NH2 ARG A 52 4.610 -35.019 -2.445 1.00 0.00 N ATOM 0 H ARG A 52 -1.467 -30.670 -6.095 1.00 0.00 H new ATOM 0 HA ARG A 52 -1.362 -33.008 -4.434 1.00 0.00 H new ATOM 0 HB2 ARG A 52 0.612 -31.877 -5.545 1.00 0.00 H new ATOM 0 HB3 ARG A 52 0.437 -30.547 -4.417 1.00 0.00 H new ATOM 0 HG2 ARG A 52 0.881 -32.068 -2.507 1.00 0.00 H new ATOM 0 HG3 ARG A 52 0.971 -33.440 -3.593 1.00 0.00 H new ATOM 0 HD2 ARG A 52 2.935 -32.245 -4.755 1.00 0.00 H new ATOM 0 HD3 ARG A 52 2.911 -31.092 -3.436 1.00 0.00 H new ATOM 0 HE ARG A 52 3.739 -32.742 -1.942 1.00 0.00 H new ATOM 0 HH11 ARG A 52 3.146 -34.125 -5.170 1.00 0.00 H new ATOM 0 HH12 ARG A 52 4.012 -35.621 -4.803 1.00 0.00 H new ATOM 0 HH21 ARG A 52 4.805 -34.690 -1.499 1.00 0.00 H new ATOM 0 HH22 ARG A 52 4.942 -35.936 -2.745 1.00 0.00 H new ATOM 819 N HIS A 53 -2.325 -30.168 -3.091 1.00 0.00 N ATOM 820 CA HIS A 53 -2.961 -29.559 -1.908 1.00 0.00 C ATOM 821 C HIS A 53 -4.324 -30.198 -1.616 1.00 0.00 C ATOM 822 O HIS A 53 -4.712 -30.271 -0.456 1.00 0.00 O ATOM 823 CB HIS A 53 -3.093 -28.023 -2.063 1.00 0.00 C ATOM 824 CG HIS A 53 -1.825 -27.266 -1.785 1.00 0.00 C ATOM 825 ND1 HIS A 53 -1.244 -26.398 -2.683 1.00 0.00 N ATOM 826 CD2 HIS A 53 -1.054 -27.218 -0.668 1.00 0.00 C ATOM 827 CE1 HIS A 53 -0.180 -25.846 -2.135 1.00 0.00 C ATOM 828 NE2 HIS A 53 -0.044 -26.325 -0.917 1.00 0.00 N ATOM 0 H HIS A 53 -2.336 -29.573 -3.919 1.00 0.00 H new ATOM 0 HA HIS A 53 -2.311 -29.753 -1.055 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -3.422 -27.798 -3.077 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -3.871 -27.666 -1.389 1.00 0.00 H new ATOM 0 HD1 HIS A 53 -1.585 -26.211 -3.626 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -1.207 -27.777 0.243 1.00 0.00 H new ATOM 0 HE1 HIS A 53 0.470 -25.123 -2.606 1.00 0.00 H new ATOM 837 N ILE A 54 -5.038 -30.674 -2.660 1.00 0.00 N ATOM 838 CA ILE A 54 -6.328 -31.381 -2.479 1.00 0.00 C ATOM 839 C ILE A 54 -6.119 -32.627 -1.582 1.00 0.00 C ATOM 840 O ILE A 54 -6.949 -32.919 -0.709 1.00 0.00 O ATOM 841 CB ILE A 54 -6.973 -31.806 -3.854 1.00 0.00 C ATOM 842 CG1 ILE A 54 -7.199 -30.568 -4.777 1.00 0.00 C ATOM 843 CG2 ILE A 54 -8.308 -32.562 -3.641 1.00 0.00 C ATOM 844 CD1 ILE A 54 -7.637 -30.897 -6.196 1.00 0.00 C ATOM 0 H ILE A 54 -4.746 -30.583 -3.633 1.00 0.00 H new ATOM 0 HA ILE A 54 -7.019 -30.689 -1.998 1.00 0.00 H new ATOM 0 HB ILE A 54 -6.271 -32.481 -4.345 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -7.952 -29.925 -4.320 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -6.274 -29.993 -4.822 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -8.727 -32.841 -4.608 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -8.127 -33.461 -3.051 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -9.011 -31.917 -3.114 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -7.768 -29.973 -6.760 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -6.877 -31.511 -6.678 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -8.580 -31.442 -6.168 1.00 0.00 H new ATOM 856 N GLU A 55 -4.971 -33.310 -1.790 1.00 0.00 N ATOM 857 CA GLU A 55 -4.538 -34.459 -0.959 1.00 0.00 C ATOM 858 C GLU A 55 -4.430 -34.076 0.535 1.00 0.00 C ATOM 859 O GLU A 55 -4.841 -34.836 1.413 1.00 0.00 O ATOM 860 CB GLU A 55 -3.164 -35.002 -1.435 1.00 0.00 C ATOM 861 CG GLU A 55 -3.109 -35.466 -2.902 1.00 0.00 C ATOM 862 CD GLU A 55 -1.736 -36.058 -3.268 1.00 0.00 C ATOM 863 OE1 GLU A 55 -1.482 -37.238 -2.935 1.00 0.00 O ATOM 864 OE2 GLU A 55 -0.893 -35.345 -3.856 1.00 0.00 O ATOM 0 H GLU A 55 -4.317 -33.081 -2.539 1.00 0.00 H new ATOM 0 HA GLU A 55 -5.299 -35.231 -1.073 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -2.415 -34.224 -1.290 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -2.882 -35.839 -0.796 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -3.884 -36.213 -3.075 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -3.327 -34.623 -3.557 1.00 0.00 H new ATOM 871 N ARG A 56 -3.877 -32.884 0.797 1.00 0.00 N ATOM 872 CA ARG A 56 -3.661 -32.377 2.171 1.00 0.00 C ATOM 873 C ARG A 56 -5.001 -31.945 2.812 1.00 0.00 C ATOM 874 O ARG A 56 -5.199 -32.083 4.024 1.00 0.00 O ATOM 875 CB ARG A 56 -2.621 -31.216 2.155 1.00 0.00 C ATOM 876 CG ARG A 56 -2.298 -30.585 3.535 1.00 0.00 C ATOM 877 CD ARG A 56 -1.943 -31.616 4.634 1.00 0.00 C ATOM 878 NE ARG A 56 -0.817 -32.500 4.264 1.00 0.00 N ATOM 879 CZ ARG A 56 0.394 -32.506 4.848 1.00 0.00 C ATOM 880 NH1 ARG A 56 0.720 -31.586 5.754 1.00 0.00 N ATOM 881 NH2 ARG A 56 1.279 -33.432 4.517 1.00 0.00 N ATOM 0 H ARG A 56 -3.565 -32.241 0.069 1.00 0.00 H new ATOM 0 HA ARG A 56 -3.255 -33.179 2.788 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -1.694 -31.589 1.720 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -2.990 -30.431 1.494 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -1.465 -29.892 3.419 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -3.156 -30.000 3.865 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -1.693 -31.086 5.553 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -2.821 -32.227 4.847 1.00 0.00 H new ATOM 0 HE ARG A 56 -0.972 -33.160 3.502 1.00 0.00 H new ATOM 0 HH11 ARG A 56 0.047 -30.864 6.013 1.00 0.00 H new ATOM 0 HH12 ARG A 56 1.642 -31.603 6.189 1.00 0.00 H new ATOM 0 HH21 ARG A 56 1.042 -34.139 3.821 1.00 0.00 H new ATOM 0 HH22 ARG A 56 2.199 -33.439 4.958 1.00 0.00 H new ATOM 895 N PHE A 57 -5.932 -31.476 1.972 1.00 0.00 N ATOM 896 CA PHE A 57 -7.266 -31.008 2.414 1.00 0.00 C ATOM 897 C PHE A 57 -8.224 -32.202 2.697 1.00 0.00 C ATOM 898 O PHE A 57 -9.399 -31.993 3.016 1.00 0.00 O ATOM 899 CB PHE A 57 -7.857 -30.020 1.355 1.00 0.00 C ATOM 900 CG PHE A 57 -7.212 -28.614 1.304 1.00 0.00 C ATOM 901 CD1 PHE A 57 -5.854 -28.404 1.565 1.00 0.00 C ATOM 902 CD2 PHE A 57 -7.981 -27.500 0.973 1.00 0.00 C ATOM 903 CE1 PHE A 57 -5.298 -27.139 1.495 1.00 0.00 C ATOM 904 CE2 PHE A 57 -7.424 -26.232 0.910 1.00 0.00 C ATOM 905 CZ PHE A 57 -6.086 -26.054 1.169 1.00 0.00 C ATOM 0 H PHE A 57 -5.789 -31.407 0.964 1.00 0.00 H new ATOM 0 HA PHE A 57 -7.156 -30.472 3.357 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -7.764 -30.477 0.370 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -8.923 -29.902 1.552 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -5.228 -29.245 1.826 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -9.032 -27.627 0.761 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -4.246 -27.000 1.696 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -8.042 -25.383 0.657 1.00 0.00 H new ATOM 0 HZ PHE A 57 -5.652 -25.066 1.117 1.00 0.00 H new ATOM 915 N LYS A 58 -7.715 -33.453 2.575 1.00 0.00 N ATOM 916 CA LYS A 58 -8.445 -34.673 2.993 1.00 0.00 C ATOM 917 C LYS A 58 -8.327 -34.931 4.504 1.00 0.00 C ATOM 918 O LYS A 58 -9.114 -35.712 5.056 1.00 0.00 O ATOM 919 CB LYS A 58 -7.928 -35.908 2.210 1.00 0.00 C ATOM 920 CG LYS A 58 -8.015 -35.751 0.686 1.00 0.00 C ATOM 921 CD LYS A 58 -9.447 -35.452 0.202 1.00 0.00 C ATOM 922 CE LYS A 58 -9.502 -35.153 -1.292 1.00 0.00 C ATOM 923 NZ LYS A 58 -10.896 -34.991 -1.757 1.00 0.00 N ATOM 0 H LYS A 58 -6.791 -33.643 2.186 1.00 0.00 H new ATOM 0 HA LYS A 58 -9.498 -34.509 2.764 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -6.891 -36.096 2.489 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -8.503 -36.784 2.510 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -7.353 -34.945 0.369 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -7.657 -36.664 0.209 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -10.089 -36.305 0.423 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -9.845 -34.602 0.755 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -8.938 -34.245 -1.504 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -9.024 -35.962 -1.845 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -10.900 -34.789 -2.777 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -11.426 -35.867 -1.576 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -11.343 -34.203 -1.246 1.00 0.00 H new ATOM 937 N GLU A 59 -7.330 -34.309 5.160 1.00 0.00 N ATOM 938 CA GLU A 59 -7.131 -34.446 6.622 1.00 0.00 C ATOM 939 C GLU A 59 -8.279 -33.751 7.383 1.00 0.00 C ATOM 940 O GLU A 59 -8.474 -32.549 7.208 1.00 0.00 O ATOM 941 CB GLU A 59 -5.746 -33.869 7.056 1.00 0.00 C ATOM 942 CG GLU A 59 -4.547 -34.828 6.879 1.00 0.00 C ATOM 943 CD GLU A 59 -4.395 -35.392 5.454 1.00 0.00 C ATOM 944 OE1 GLU A 59 -3.739 -34.746 4.613 1.00 0.00 O ATOM 945 OE2 GLU A 59 -4.916 -36.496 5.170 1.00 0.00 O ATOM 0 H GLU A 59 -6.647 -33.705 4.703 1.00 0.00 H new ATOM 0 HA GLU A 59 -7.141 -35.507 6.873 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -5.553 -32.962 6.483 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -5.805 -33.577 8.104 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -3.632 -34.301 7.149 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -4.654 -35.658 7.577 1.00 0.00 H new ATOM 952 N PRO A 60 -9.058 -34.488 8.243 1.00 0.00 N ATOM 953 CA PRO A 60 -10.141 -33.877 9.057 1.00 0.00 C ATOM 954 C PRO A 60 -9.575 -32.970 10.171 1.00 0.00 C ATOM 955 O PRO A 60 -10.271 -32.095 10.690 1.00 0.00 O ATOM 956 CB PRO A 60 -10.884 -35.108 9.634 1.00 0.00 C ATOM 957 CG PRO A 60 -9.840 -36.182 9.702 1.00 0.00 C ATOM 958 CD PRO A 60 -8.946 -35.956 8.498 1.00 0.00 C ATOM 0 HA PRO A 60 -10.793 -33.222 8.479 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -11.298 -34.895 10.619 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -11.716 -35.404 8.995 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -9.272 -36.119 10.630 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -10.294 -37.173 9.673 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -7.916 -36.249 8.703 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -9.278 -36.538 7.638 1.00 0.00 H new ATOM 966 N ASP A 61 -8.294 -33.191 10.504 1.00 0.00 N ATOM 967 CA ASP A 61 -7.571 -32.426 11.525 1.00 0.00 C ATOM 968 C ASP A 61 -6.977 -31.130 10.949 1.00 0.00 C ATOM 969 O ASP A 61 -6.570 -30.263 11.720 1.00 0.00 O ATOM 970 CB ASP A 61 -6.444 -33.297 12.134 1.00 0.00 C ATOM 971 CG ASP A 61 -6.977 -34.577 12.802 1.00 0.00 C ATOM 972 OD1 ASP A 61 -7.254 -35.563 12.082 1.00 0.00 O ATOM 973 OD2 ASP A 61 -7.152 -34.595 14.041 1.00 0.00 O ATOM 0 H ASP A 61 -7.726 -33.916 10.065 1.00 0.00 H new ATOM 0 HA ASP A 61 -8.283 -32.149 12.302 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -5.737 -33.569 11.350 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -5.894 -32.710 12.870 1.00 0.00 H new ATOM 978 N LEU A 62 -6.941 -31.000 9.598 1.00 0.00 N ATOM 979 CA LEU A 62 -6.266 -29.871 8.931 1.00 0.00 C ATOM 980 C LEU A 62 -6.915 -28.519 9.287 1.00 0.00 C ATOM 981 O LEU A 62 -8.059 -28.246 8.908 1.00 0.00 O ATOM 982 CB LEU A 62 -6.239 -30.036 7.389 1.00 0.00 C ATOM 983 CG LEU A 62 -5.383 -28.960 6.645 1.00 0.00 C ATOM 984 CD1 LEU A 62 -3.875 -29.149 6.933 1.00 0.00 C ATOM 985 CD2 LEU A 62 -5.682 -28.932 5.133 1.00 0.00 C ATOM 0 H LEU A 62 -7.372 -31.665 8.956 1.00 0.00 H new ATOM 0 HA LEU A 62 -5.241 -29.877 9.301 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -5.849 -31.025 7.147 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -7.261 -29.995 7.012 1.00 0.00 H new ATOM 0 HG LEU A 62 -5.670 -27.985 7.037 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -3.305 -28.387 6.402 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -3.695 -29.057 8.004 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -3.561 -30.137 6.596 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -5.066 -28.171 4.654 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -5.457 -29.906 4.699 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -6.735 -28.699 4.975 1.00 0.00 H new ATOM 997 N TYR A 63 -6.166 -27.687 10.022 1.00 0.00 N ATOM 998 CA TYR A 63 -6.559 -26.308 10.334 1.00 0.00 C ATOM 999 C TYR A 63 -5.299 -25.434 10.376 1.00 0.00 C ATOM 1000 O TYR A 63 -4.406 -25.668 11.200 1.00 0.00 O ATOM 1001 CB TYR A 63 -7.314 -26.250 11.692 1.00 0.00 C ATOM 1002 CG TYR A 63 -7.861 -24.855 12.048 1.00 0.00 C ATOM 1003 CD1 TYR A 63 -8.957 -24.330 11.367 1.00 0.00 C ATOM 1004 CD2 TYR A 63 -7.279 -24.060 13.047 1.00 0.00 C ATOM 1005 CE1 TYR A 63 -9.460 -23.079 11.660 1.00 0.00 C ATOM 1006 CE2 TYR A 63 -7.782 -22.800 13.342 1.00 0.00 C ATOM 1007 CZ TYR A 63 -8.871 -22.319 12.644 1.00 0.00 C ATOM 1008 OH TYR A 63 -9.373 -21.069 12.929 1.00 0.00 O ATOM 0 H TYR A 63 -5.265 -27.954 10.419 1.00 0.00 H new ATOM 0 HA TYR A 63 -7.235 -25.936 9.564 1.00 0.00 H new ATOM 0 HB2 TYR A 63 -8.143 -26.958 11.665 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -6.641 -26.578 12.484 1.00 0.00 H new ATOM 0 HD1 TYR A 63 -9.425 -24.917 10.590 1.00 0.00 H new ATOM 0 HD2 TYR A 63 -6.427 -24.434 13.595 1.00 0.00 H new ATOM 0 HE1 TYR A 63 -10.313 -22.698 11.119 1.00 0.00 H new ATOM 0 HE2 TYR A 63 -7.323 -22.199 14.114 1.00 0.00 H new ATOM 0 HH TYR A 63 -8.847 -20.662 13.649 1.00 0.00 H new ATOM 1018 N GLY A 64 -5.235 -24.440 9.478 1.00 0.00 N ATOM 1019 CA GLY A 64 -4.132 -23.484 9.447 1.00 0.00 C ATOM 1020 C GLY A 64 -4.457 -22.246 10.257 1.00 0.00 C ATOM 1021 O GLY A 64 -5.289 -21.432 9.839 1.00 0.00 O ATOM 0 H GLY A 64 -5.943 -24.282 8.761 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -3.230 -23.953 9.840 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -3.921 -23.202 8.416 1.00 0.00 H new ATOM 1025 N GLU A 65 -3.844 -22.125 11.444 1.00 0.00 N ATOM 1026 CA GLU A 65 -3.970 -20.928 12.290 1.00 0.00 C ATOM 1027 C GLU A 65 -2.771 -20.008 12.034 1.00 0.00 C ATOM 1028 O GLU A 65 -1.660 -20.313 12.466 1.00 0.00 O ATOM 1029 CB GLU A 65 -4.024 -21.317 13.791 1.00 0.00 C ATOM 1030 CG GLU A 65 -4.200 -20.114 14.753 1.00 0.00 C ATOM 1031 CD GLU A 65 -4.114 -20.491 16.241 1.00 0.00 C ATOM 1032 OE1 GLU A 65 -4.972 -21.267 16.710 1.00 0.00 O ATOM 1033 OE2 GLU A 65 -3.207 -19.995 16.953 1.00 0.00 O ATOM 0 H GLU A 65 -3.249 -22.851 11.844 1.00 0.00 H new ATOM 0 HA GLU A 65 -4.897 -20.412 12.039 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -4.848 -22.014 13.945 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -3.107 -21.845 14.051 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -3.436 -19.369 14.532 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -5.166 -19.646 14.562 1.00 0.00 H new ATOM 1040 N LEU A 66 -2.996 -18.902 11.312 1.00 0.00 N ATOM 1041 CA LEU A 66 -1.947 -17.906 11.044 1.00 0.00 C ATOM 1042 C LEU A 66 -1.894 -16.918 12.211 1.00 0.00 C ATOM 1043 O LEU A 66 -2.883 -16.240 12.498 1.00 0.00 O ATOM 1044 CB LEU A 66 -2.209 -17.202 9.685 1.00 0.00 C ATOM 1045 CG LEU A 66 -1.028 -16.347 9.090 1.00 0.00 C ATOM 1046 CD1 LEU A 66 -1.116 -16.305 7.555 1.00 0.00 C ATOM 1047 CD2 LEU A 66 -0.994 -14.906 9.659 1.00 0.00 C ATOM 0 H LEU A 66 -3.901 -18.673 10.900 1.00 0.00 H new ATOM 0 HA LEU A 66 -0.974 -18.391 10.964 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -2.479 -17.964 8.954 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -3.075 -16.551 9.801 1.00 0.00 H new ATOM 0 HG LEU A 66 -0.101 -16.836 9.389 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -0.293 -15.710 7.159 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -1.054 -17.319 7.159 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -2.064 -15.856 7.257 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -0.161 -14.360 9.216 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -1.929 -14.399 9.421 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -0.868 -14.945 10.741 1.00 0.00 H new ATOM 1059 N LEU A 67 -0.732 -16.847 12.872 1.00 0.00 N ATOM 1060 CA LEU A 67 -0.529 -16.032 14.096 1.00 0.00 C ATOM 1061 C LEU A 67 0.331 -14.789 13.802 1.00 0.00 C ATOM 1062 O LEU A 67 0.167 -13.736 14.427 1.00 0.00 O ATOM 1063 CB LEU A 67 0.045 -16.886 15.298 1.00 0.00 C ATOM 1064 CG LEU A 67 1.209 -17.934 15.080 1.00 0.00 C ATOM 1065 CD1 LEU A 67 0.772 -19.165 14.275 1.00 0.00 C ATOM 1066 CD2 LEU A 67 2.489 -17.313 14.497 1.00 0.00 C ATOM 0 H LEU A 67 0.104 -17.353 12.578 1.00 0.00 H new ATOM 0 HA LEU A 67 -1.510 -15.680 14.416 1.00 0.00 H new ATOM 0 HB2 LEU A 67 0.391 -16.180 16.053 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -0.795 -17.430 15.731 1.00 0.00 H new ATOM 0 HG LEU A 67 1.456 -18.280 16.084 1.00 0.00 H new ATOM 0 HD11 LEU A 67 1.617 -19.844 14.161 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -0.036 -19.675 14.800 1.00 0.00 H new ATOM 0 HD13 LEU A 67 0.424 -18.851 13.291 1.00 0.00 H new ATOM 0 HD21 LEU A 67 3.246 -18.088 14.373 1.00 0.00 H new ATOM 0 HD22 LEU A 67 2.267 -16.864 13.529 1.00 0.00 H new ATOM 0 HD23 LEU A 67 2.863 -16.546 15.175 1.00 0.00 H new ATOM 1078 N THR A 68 1.247 -14.935 12.836 1.00 0.00 N ATOM 1079 CA THR A 68 2.173 -13.873 12.416 1.00 0.00 C ATOM 1080 C THR A 68 2.382 -13.936 10.895 1.00 0.00 C ATOM 1081 O THR A 68 2.590 -15.015 10.351 1.00 0.00 O ATOM 1082 CB THR A 68 3.563 -14.026 13.143 1.00 0.00 C ATOM 1083 OG1 THR A 68 3.375 -13.976 14.569 1.00 0.00 O ATOM 1084 CG2 THR A 68 4.589 -12.949 12.725 1.00 0.00 C ATOM 0 H THR A 68 1.368 -15.805 12.317 1.00 0.00 H new ATOM 0 HA THR A 68 1.739 -12.911 12.688 1.00 0.00 H new ATOM 0 HB THR A 68 3.969 -14.992 12.841 1.00 0.00 H new ATOM 0 HG1 THR A 68 4.241 -14.073 15.017 1.00 0.00 H new ATOM 0 HG21 THR A 68 5.524 -13.110 13.261 1.00 0.00 H new ATOM 0 HG22 THR A 68 4.769 -13.015 11.652 1.00 0.00 H new ATOM 0 HG23 THR A 68 4.198 -11.961 12.967 1.00 0.00 H new ATOM 1092 N ARG A 69 2.283 -12.782 10.217 1.00 0.00 N ATOM 1093 CA ARG A 69 2.776 -12.625 8.838 1.00 0.00 C ATOM 1094 C ARG A 69 3.537 -11.299 8.711 1.00 0.00 C ATOM 1095 O ARG A 69 3.092 -10.263 9.221 1.00 0.00 O ATOM 1096 CB ARG A 69 1.656 -12.721 7.763 1.00 0.00 C ATOM 1097 CG ARG A 69 0.518 -11.678 7.879 1.00 0.00 C ATOM 1098 CD ARG A 69 -0.274 -11.515 6.565 1.00 0.00 C ATOM 1099 NE ARG A 69 -0.713 -12.809 5.992 1.00 0.00 N ATOM 1100 CZ ARG A 69 -1.980 -13.184 5.784 1.00 0.00 C ATOM 1101 NH1 ARG A 69 -2.995 -12.401 6.146 1.00 0.00 N ATOM 1102 NH2 ARG A 69 -2.224 -14.349 5.211 1.00 0.00 N ATOM 0 H ARG A 69 1.863 -11.937 10.604 1.00 0.00 H new ATOM 0 HA ARG A 69 3.447 -13.461 8.643 1.00 0.00 H new ATOM 0 HB2 ARG A 69 2.114 -12.623 6.779 1.00 0.00 H new ATOM 0 HB3 ARG A 69 1.216 -13.717 7.812 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -0.164 -11.977 8.675 1.00 0.00 H new ATOM 0 HG3 ARG A 69 0.941 -10.715 8.166 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -1.148 -10.890 6.748 1.00 0.00 H new ATOM 0 HD3 ARG A 69 0.345 -10.992 5.836 1.00 0.00 H new ATOM 0 HE ARG A 69 0.016 -13.473 5.733 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -2.812 -11.501 6.589 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -3.955 -12.702 5.980 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -1.450 -14.952 4.932 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -3.186 -14.645 5.047 1.00 0.00 H new ATOM 1116 N VAL A 70 4.708 -11.352 8.051 1.00 0.00 N ATOM 1117 CA VAL A 70 5.570 -10.177 7.804 1.00 0.00 C ATOM 1118 C VAL A 70 5.783 -10.037 6.288 1.00 0.00 C ATOM 1119 O VAL A 70 5.893 -11.043 5.592 1.00 0.00 O ATOM 1120 CB VAL A 70 6.955 -10.292 8.571 1.00 0.00 C ATOM 1121 CG1 VAL A 70 6.725 -10.482 10.088 1.00 0.00 C ATOM 1122 CG2 VAL A 70 7.859 -11.424 8.015 1.00 0.00 C ATOM 0 H VAL A 70 5.088 -12.218 7.670 1.00 0.00 H new ATOM 0 HA VAL A 70 5.078 -9.284 8.190 1.00 0.00 H new ATOM 0 HB VAL A 70 7.483 -9.353 8.403 1.00 0.00 H new ATOM 0 HG11 VAL A 70 7.687 -10.559 10.595 1.00 0.00 H new ATOM 0 HG12 VAL A 70 6.174 -9.628 10.482 1.00 0.00 H new ATOM 0 HG13 VAL A 70 6.152 -11.393 10.258 1.00 0.00 H new ATOM 0 HG21 VAL A 70 8.792 -11.455 8.578 1.00 0.00 H new ATOM 0 HG22 VAL A 70 7.345 -12.380 8.112 1.00 0.00 H new ATOM 0 HG23 VAL A 70 8.076 -11.233 6.964 1.00 0.00 H new ATOM 1132 N ILE A 71 5.818 -8.801 5.769 1.00 0.00 N ATOM 1133 CA ILE A 71 5.960 -8.560 4.314 1.00 0.00 C ATOM 1134 C ILE A 71 7.167 -7.640 4.014 1.00 0.00 C ATOM 1135 O ILE A 71 7.426 -6.666 4.733 1.00 0.00 O ATOM 1136 CB ILE A 71 4.629 -7.999 3.685 1.00 0.00 C ATOM 1137 CG1 ILE A 71 4.773 -7.825 2.138 1.00 0.00 C ATOM 1138 CG2 ILE A 71 4.179 -6.683 4.368 1.00 0.00 C ATOM 1139 CD1 ILE A 71 3.484 -7.516 1.419 1.00 0.00 C ATOM 0 H ILE A 71 5.751 -7.951 6.328 1.00 0.00 H new ATOM 0 HA ILE A 71 6.156 -9.522 3.840 1.00 0.00 H new ATOM 0 HB ILE A 71 3.844 -8.733 3.866 1.00 0.00 H new ATOM 0 HG12 ILE A 71 5.485 -7.024 1.940 1.00 0.00 H new ATOM 0 HG13 ILE A 71 5.197 -8.738 1.721 1.00 0.00 H new ATOM 0 HG21 ILE A 71 3.258 -6.329 3.905 1.00 0.00 H new ATOM 0 HG22 ILE A 71 4.006 -6.864 5.429 1.00 0.00 H new ATOM 0 HG23 ILE A 71 4.957 -5.928 4.251 1.00 0.00 H new ATOM 0 HD11 ILE A 71 3.679 -7.412 0.352 1.00 0.00 H new ATOM 0 HD12 ILE A 71 2.774 -8.327 1.581 1.00 0.00 H new ATOM 0 HD13 ILE A 71 3.067 -6.586 1.804 1.00 0.00 H new ATOM 1151 N VAL A 72 7.905 -8.001 2.953 1.00 0.00 N ATOM 1152 CA VAL A 72 9.107 -7.309 2.484 1.00 0.00 C ATOM 1153 C VAL A 72 9.068 -7.278 0.929 1.00 0.00 C ATOM 1154 O VAL A 72 9.350 -8.278 0.254 1.00 0.00 O ATOM 1155 CB VAL A 72 10.413 -7.999 3.068 1.00 0.00 C ATOM 1156 CG1 VAL A 72 10.394 -9.544 2.885 1.00 0.00 C ATOM 1157 CG2 VAL A 72 11.711 -7.370 2.488 1.00 0.00 C ATOM 0 H VAL A 72 7.670 -8.812 2.381 1.00 0.00 H new ATOM 0 HA VAL A 72 9.135 -6.281 2.845 1.00 0.00 H new ATOM 0 HB VAL A 72 10.412 -7.807 4.141 1.00 0.00 H new ATOM 0 HG11 VAL A 72 11.307 -9.971 3.300 1.00 0.00 H new ATOM 0 HG12 VAL A 72 9.531 -9.961 3.403 1.00 0.00 H new ATOM 0 HG13 VAL A 72 10.331 -9.784 1.824 1.00 0.00 H new ATOM 0 HG21 VAL A 72 12.580 -7.871 2.914 1.00 0.00 H new ATOM 0 HG22 VAL A 72 11.719 -7.487 1.404 1.00 0.00 H new ATOM 0 HG23 VAL A 72 11.745 -6.310 2.739 1.00 0.00 H new ATOM 1167 N GLY A 73 8.638 -6.121 0.384 1.00 0.00 N ATOM 1168 CA GLY A 73 8.458 -5.936 -1.060 1.00 0.00 C ATOM 1169 C GLY A 73 7.303 -6.765 -1.622 1.00 0.00 C ATOM 1170 O GLY A 73 6.179 -6.712 -1.098 1.00 0.00 O ATOM 0 H GLY A 73 8.408 -5.295 0.936 1.00 0.00 H new ATOM 0 HA2 GLY A 73 8.277 -4.881 -1.267 1.00 0.00 H new ATOM 0 HA3 GLY A 73 9.379 -6.209 -1.575 1.00 0.00 H new ATOM 1174 N ASN A 74 7.589 -7.563 -2.676 1.00 0.00 N ATOM 1175 CA ASN A 74 6.585 -8.428 -3.334 1.00 0.00 C ATOM 1176 C ASN A 74 6.617 -9.868 -2.762 1.00 0.00 C ATOM 1177 O ASN A 74 6.161 -10.816 -3.402 1.00 0.00 O ATOM 1178 CB ASN A 74 6.792 -8.429 -4.883 1.00 0.00 C ATOM 1179 CG ASN A 74 8.009 -9.229 -5.388 1.00 0.00 C ATOM 1180 OD1 ASN A 74 9.054 -9.287 -4.740 1.00 0.00 O ATOM 1181 ND2 ASN A 74 7.864 -9.865 -6.548 1.00 0.00 N ATOM 0 H ASN A 74 8.518 -7.625 -3.092 1.00 0.00 H new ATOM 0 HA ASN A 74 5.597 -8.018 -3.123 1.00 0.00 H new ATOM 0 HB2 ASN A 74 5.894 -8.832 -5.352 1.00 0.00 H new ATOM 0 HB3 ASN A 74 6.892 -7.397 -5.220 1.00 0.00 H new ATOM 0 HD21 ASN A 74 8.632 -10.421 -6.924 1.00 0.00 H new ATOM 0 HD22 ASN A 74 6.985 -9.797 -7.061 1.00 0.00 H new ATOM 1188 N VAL A 75 7.105 -9.997 -1.517 1.00 0.00 N ATOM 1189 CA VAL A 75 7.323 -11.294 -0.833 1.00 0.00 C ATOM 1190 C VAL A 75 6.713 -11.237 0.580 1.00 0.00 C ATOM 1191 O VAL A 75 6.972 -10.287 1.312 1.00 0.00 O ATOM 1192 CB VAL A 75 8.868 -11.610 -0.730 1.00 0.00 C ATOM 1193 CG1 VAL A 75 9.138 -12.941 0.011 1.00 0.00 C ATOM 1194 CG2 VAL A 75 9.544 -11.611 -2.124 1.00 0.00 C ATOM 0 H VAL A 75 7.365 -9.194 -0.944 1.00 0.00 H new ATOM 0 HA VAL A 75 6.841 -12.083 -1.411 1.00 0.00 H new ATOM 0 HB VAL A 75 9.313 -10.808 -0.141 1.00 0.00 H new ATOM 0 HG11 VAL A 75 10.212 -13.119 0.059 1.00 0.00 H new ATOM 0 HG12 VAL A 75 8.734 -12.883 1.022 1.00 0.00 H new ATOM 0 HG13 VAL A 75 8.658 -13.760 -0.525 1.00 0.00 H new ATOM 0 HG21 VAL A 75 10.606 -11.832 -2.013 1.00 0.00 H new ATOM 0 HG22 VAL A 75 9.079 -12.370 -2.753 1.00 0.00 H new ATOM 0 HG23 VAL A 75 9.424 -10.632 -2.587 1.00 0.00 H new ATOM 1204 N VAL A 76 5.906 -12.254 0.960 1.00 0.00 N ATOM 1205 CA VAL A 76 5.318 -12.354 2.318 1.00 0.00 C ATOM 1206 C VAL A 76 5.763 -13.671 2.992 1.00 0.00 C ATOM 1207 O VAL A 76 5.868 -14.702 2.334 1.00 0.00 O ATOM 1208 CB VAL A 76 3.732 -12.311 2.309 1.00 0.00 C ATOM 1209 CG1 VAL A 76 3.162 -12.143 3.746 1.00 0.00 C ATOM 1210 CG2 VAL A 76 3.183 -11.207 1.382 1.00 0.00 C ATOM 0 H VAL A 76 5.645 -13.022 0.342 1.00 0.00 H new ATOM 0 HA VAL A 76 5.678 -11.487 2.872 1.00 0.00 H new ATOM 0 HB VAL A 76 3.398 -13.270 1.913 1.00 0.00 H new ATOM 0 HG11 VAL A 76 2.073 -12.117 3.705 1.00 0.00 H new ATOM 0 HG12 VAL A 76 3.482 -12.981 4.365 1.00 0.00 H new ATOM 0 HG13 VAL A 76 3.531 -11.212 4.177 1.00 0.00 H new ATOM 0 HG21 VAL A 76 2.093 -11.217 1.410 1.00 0.00 H new ATOM 0 HG22 VAL A 76 3.545 -10.236 1.719 1.00 0.00 H new ATOM 0 HG23 VAL A 76 3.522 -11.387 0.362 1.00 0.00 H new ATOM 1220 N ILE A 77 6.013 -13.600 4.304 1.00 0.00 N ATOM 1221 CA ILE A 77 6.150 -14.755 5.195 1.00 0.00 C ATOM 1222 C ILE A 77 4.798 -14.932 5.895 1.00 0.00 C ATOM 1223 O ILE A 77 4.424 -14.092 6.710 1.00 0.00 O ATOM 1224 CB ILE A 77 7.267 -14.489 6.289 1.00 0.00 C ATOM 1225 CG1 ILE A 77 8.706 -14.524 5.684 1.00 0.00 C ATOM 1226 CG2 ILE A 77 7.149 -15.437 7.522 1.00 0.00 C ATOM 1227 CD1 ILE A 77 9.294 -15.914 5.534 1.00 0.00 C ATOM 0 H ILE A 77 6.129 -12.710 4.789 1.00 0.00 H new ATOM 0 HA ILE A 77 6.436 -15.641 4.628 1.00 0.00 H new ATOM 0 HB ILE A 77 7.087 -13.477 6.653 1.00 0.00 H new ATOM 0 HG12 ILE A 77 8.686 -14.045 4.705 1.00 0.00 H new ATOM 0 HG13 ILE A 77 9.366 -13.931 6.316 1.00 0.00 H new ATOM 0 HG21 ILE A 77 7.940 -15.206 8.235 1.00 0.00 H new ATOM 0 HG22 ILE A 77 6.179 -15.296 7.998 1.00 0.00 H new ATOM 0 HG23 ILE A 77 7.245 -16.472 7.195 1.00 0.00 H new ATOM 0 HD11 ILE A 77 10.294 -15.842 5.107 1.00 0.00 H new ATOM 0 HD12 ILE A 77 9.351 -16.392 6.512 1.00 0.00 H new ATOM 0 HD13 ILE A 77 8.660 -16.508 4.876 1.00 0.00 H new ATOM 1239 N ASP A 78 4.047 -15.966 5.524 1.00 0.00 N ATOM 1240 CA ASP A 78 2.873 -16.412 6.286 1.00 0.00 C ATOM 1241 C ASP A 78 3.336 -17.472 7.277 1.00 0.00 C ATOM 1242 O ASP A 78 3.723 -18.551 6.869 1.00 0.00 O ATOM 1243 CB ASP A 78 1.772 -16.994 5.341 1.00 0.00 C ATOM 1244 CG ASP A 78 0.906 -15.937 4.626 1.00 0.00 C ATOM 1245 OD1 ASP A 78 1.270 -14.741 4.617 1.00 0.00 O ATOM 1246 OD2 ASP A 78 -0.166 -16.304 4.093 1.00 0.00 O ATOM 0 H ASP A 78 4.231 -16.521 4.688 1.00 0.00 H new ATOM 0 HA ASP A 78 2.431 -15.565 6.810 1.00 0.00 H new ATOM 0 HB2 ASP A 78 2.253 -17.618 4.588 1.00 0.00 H new ATOM 0 HB3 ASP A 78 1.119 -17.643 5.924 1.00 0.00 H new ATOM 1251 N HIS A 79 3.349 -17.148 8.576 1.00 0.00 N ATOM 1252 CA HIS A 79 3.685 -18.133 9.617 1.00 0.00 C ATOM 1253 C HIS A 79 2.382 -18.630 10.255 1.00 0.00 C ATOM 1254 O HIS A 79 1.725 -17.909 11.023 1.00 0.00 O ATOM 1255 CB HIS A 79 4.640 -17.547 10.694 1.00 0.00 C ATOM 1256 CG HIS A 79 5.163 -18.602 11.648 1.00 0.00 C ATOM 1257 ND1 HIS A 79 4.362 -19.239 12.581 1.00 0.00 N ATOM 1258 CD2 HIS A 79 6.385 -19.173 11.768 1.00 0.00 C ATOM 1259 CE1 HIS A 79 5.064 -20.148 13.214 1.00 0.00 C ATOM 1260 NE2 HIS A 79 6.291 -20.135 12.744 1.00 0.00 N ATOM 0 H HIS A 79 3.132 -16.217 8.932 1.00 0.00 H new ATOM 0 HA HIS A 79 4.218 -18.964 9.155 1.00 0.00 H new ATOM 0 HB2 HIS A 79 5.481 -17.059 10.201 1.00 0.00 H new ATOM 0 HB3 HIS A 79 4.114 -16.779 11.261 1.00 0.00 H new ATOM 0 HD2 HIS A 79 7.269 -18.919 11.202 1.00 0.00 H new ATOM 0 HE1 HIS A 79 4.695 -20.799 13.992 1.00 0.00 H new ATOM 0 HE2 HIS A 79 7.051 -20.741 13.054 1.00 0.00 H new ATOM 1269 N GLU A 80 2.053 -19.884 9.940 1.00 0.00 N ATOM 1270 CA GLU A 80 0.804 -20.544 10.332 1.00 0.00 C ATOM 1271 C GLU A 80 1.115 -21.921 10.951 1.00 0.00 C ATOM 1272 O GLU A 80 1.877 -22.716 10.388 1.00 0.00 O ATOM 1273 CB GLU A 80 -0.182 -20.669 9.100 1.00 0.00 C ATOM 1274 CG GLU A 80 0.456 -20.501 7.697 1.00 0.00 C ATOM 1275 CD GLU A 80 1.511 -21.579 7.339 1.00 0.00 C ATOM 1276 OE1 GLU A 80 1.124 -22.733 7.058 1.00 0.00 O ATOM 1277 OE2 GLU A 80 2.729 -21.270 7.337 1.00 0.00 O ATOM 0 H GLU A 80 2.665 -20.487 9.389 1.00 0.00 H new ATOM 0 HA GLU A 80 0.301 -19.935 11.083 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -0.663 -21.646 9.143 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -0.967 -19.921 9.212 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -0.335 -20.521 6.947 1.00 0.00 H new ATOM 0 HG3 GLU A 80 0.925 -19.519 7.640 1.00 0.00 H new ATOM 1284 N THR A 81 0.542 -22.167 12.135 1.00 0.00 N ATOM 1285 CA THR A 81 0.589 -23.472 12.786 1.00 0.00 C ATOM 1286 C THR A 81 -0.538 -24.339 12.212 1.00 0.00 C ATOM 1287 O THR A 81 -1.720 -24.131 12.535 1.00 0.00 O ATOM 1288 CB THR A 81 0.438 -23.321 14.335 1.00 0.00 C ATOM 1289 OG1 THR A 81 1.402 -22.369 14.800 1.00 0.00 O ATOM 1290 CG2 THR A 81 0.639 -24.657 15.082 1.00 0.00 C ATOM 0 H THR A 81 0.032 -21.461 12.666 1.00 0.00 H new ATOM 0 HA THR A 81 1.552 -23.946 12.596 1.00 0.00 H new ATOM 0 HB THR A 81 -0.578 -22.985 14.541 1.00 0.00 H new ATOM 0 HG1 THR A 81 2.144 -22.840 15.234 1.00 0.00 H new ATOM 0 HG21 THR A 81 0.523 -24.496 16.154 1.00 0.00 H new ATOM 0 HG22 THR A 81 -0.103 -25.379 14.742 1.00 0.00 H new ATOM 0 HG23 THR A 81 1.639 -25.041 14.879 1.00 0.00 H new ATOM 1298 N VAL A 82 -0.179 -25.273 11.314 1.00 0.00 N ATOM 1299 CA VAL A 82 -1.151 -26.181 10.695 1.00 0.00 C ATOM 1300 C VAL A 82 -1.303 -27.439 11.548 1.00 0.00 C ATOM 1301 O VAL A 82 -0.323 -27.977 12.057 1.00 0.00 O ATOM 1302 CB VAL A 82 -0.776 -26.556 9.212 1.00 0.00 C ATOM 1303 CG1 VAL A 82 -0.627 -25.283 8.352 1.00 0.00 C ATOM 1304 CG2 VAL A 82 0.485 -27.450 9.112 1.00 0.00 C ATOM 0 H VAL A 82 0.782 -25.416 11.002 1.00 0.00 H new ATOM 0 HA VAL A 82 -2.104 -25.654 10.649 1.00 0.00 H new ATOM 0 HB VAL A 82 -1.600 -27.151 8.820 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -0.368 -25.562 7.331 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -1.568 -24.733 8.350 1.00 0.00 H new ATOM 0 HG13 VAL A 82 0.160 -24.654 8.767 1.00 0.00 H new ATOM 0 HG21 VAL A 82 0.691 -27.673 8.065 1.00 0.00 H new ATOM 0 HG22 VAL A 82 1.337 -26.927 9.546 1.00 0.00 H new ATOM 0 HG23 VAL A 82 0.316 -28.380 9.655 1.00 0.00 H new ATOM 1314 N THR A 83 -2.543 -27.886 11.713 1.00 0.00 N ATOM 1315 CA THR A 83 -2.869 -29.060 12.517 1.00 0.00 C ATOM 1316 C THR A 83 -2.974 -30.297 11.609 1.00 0.00 C ATOM 1317 O THR A 83 -3.542 -30.228 10.519 1.00 0.00 O ATOM 1318 CB THR A 83 -4.198 -28.811 13.296 1.00 0.00 C ATOM 1319 OG1 THR A 83 -4.101 -27.571 14.026 1.00 0.00 O ATOM 1320 CG2 THR A 83 -4.533 -29.959 14.276 1.00 0.00 C ATOM 0 H THR A 83 -3.357 -27.441 11.290 1.00 0.00 H new ATOM 0 HA THR A 83 -2.079 -29.241 13.245 1.00 0.00 H new ATOM 0 HB THR A 83 -5.002 -28.763 12.562 1.00 0.00 H new ATOM 0 HG1 THR A 83 -4.936 -27.413 14.514 1.00 0.00 H new ATOM 0 HG21 THR A 83 -5.467 -29.736 14.792 1.00 0.00 H new ATOM 0 HG22 THR A 83 -4.639 -30.891 13.722 1.00 0.00 H new ATOM 0 HG23 THR A 83 -3.730 -30.060 15.006 1.00 0.00 H new ATOM 1328 N ARG A 84 -2.376 -31.408 12.052 1.00 0.00 N ATOM 1329 CA ARG A 84 -2.432 -32.708 11.370 1.00 0.00 C ATOM 1330 C ARG A 84 -2.803 -33.762 12.429 1.00 0.00 C ATOM 1331 O ARG A 84 -3.229 -33.403 13.537 1.00 0.00 O ATOM 1332 CB ARG A 84 -1.060 -33.045 10.710 1.00 0.00 C ATOM 1333 CG ARG A 84 -0.567 -32.028 9.658 1.00 0.00 C ATOM 1334 CD ARG A 84 0.774 -32.438 9.027 1.00 0.00 C ATOM 1335 NE ARG A 84 0.682 -33.713 8.274 1.00 0.00 N ATOM 1336 CZ ARG A 84 1.707 -34.554 8.048 1.00 0.00 C ATOM 1337 NH1 ARG A 84 2.898 -34.325 8.575 1.00 0.00 N ATOM 1338 NH2 ARG A 84 1.530 -35.636 7.310 1.00 0.00 N ATOM 0 H ARG A 84 -1.828 -31.430 12.912 1.00 0.00 H new ATOM 0 HA ARG A 84 -3.174 -32.691 10.571 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -0.308 -33.125 11.495 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -1.133 -34.025 10.238 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -1.318 -31.927 8.874 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -0.461 -31.049 10.125 1.00 0.00 H new ATOM 0 HD2 ARG A 84 1.113 -31.648 8.357 1.00 0.00 H new ATOM 0 HD3 ARG A 84 1.525 -32.536 9.810 1.00 0.00 H new ATOM 0 HE ARG A 84 -0.230 -33.972 7.898 1.00 0.00 H new ATOM 0 HH11 ARG A 84 3.047 -33.503 9.160 1.00 0.00 H new ATOM 0 HH12 ARG A 84 3.667 -34.970 8.396 1.00 0.00 H new ATOM 0 HH21 ARG A 84 0.613 -35.836 6.909 1.00 0.00 H new ATOM 0 HH22 ARG A 84 2.310 -36.271 7.141 1.00 0.00 H new ATOM 1352 N ASN A 85 -2.638 -35.059 12.112 1.00 0.00 N ATOM 1353 CA ASN A 85 -2.906 -36.140 13.075 1.00 0.00 C ATOM 1354 C ASN A 85 -1.669 -37.043 13.212 1.00 0.00 C ATOM 1355 O ASN A 85 -1.396 -37.877 12.337 1.00 0.00 O ATOM 1356 CB ASN A 85 -4.154 -36.951 12.645 1.00 0.00 C ATOM 1357 CG ASN A 85 -4.710 -37.813 13.782 1.00 0.00 C ATOM 1358 OD1 ASN A 85 -4.401 -39.001 13.900 1.00 0.00 O ATOM 1359 ND2 ASN A 85 -5.514 -37.201 14.645 1.00 0.00 N ATOM 0 H ASN A 85 -2.321 -35.382 11.198 1.00 0.00 H new ATOM 0 HA ASN A 85 -3.116 -35.704 14.052 1.00 0.00 H new ATOM 0 HB2 ASN A 85 -4.928 -36.266 12.300 1.00 0.00 H new ATOM 0 HB3 ASN A 85 -3.895 -37.590 11.801 1.00 0.00 H new ATOM 0 HD21 ASN A 85 -5.898 -37.716 15.438 1.00 0.00 H new ATOM 0 HD22 ASN A 85 -5.747 -36.217 14.515 1.00 0.00 H new ATOM 1366 N PHE A 86 -0.887 -36.816 14.283 1.00 0.00 N ATOM 1367 CA PHE A 86 0.249 -37.675 14.659 1.00 0.00 C ATOM 1368 C PHE A 86 -0.210 -38.625 15.789 1.00 0.00 C ATOM 1369 O PHE A 86 -0.873 -38.169 16.726 1.00 0.00 O ATOM 1370 CB PHE A 86 1.471 -36.823 15.125 1.00 0.00 C ATOM 1371 CG PHE A 86 2.114 -35.904 14.076 1.00 0.00 C ATOM 1372 CD1 PHE A 86 1.867 -36.050 12.710 1.00 0.00 C ATOM 1373 CD2 PHE A 86 2.977 -34.878 14.480 1.00 0.00 C ATOM 1374 CE1 PHE A 86 2.456 -35.202 11.785 1.00 0.00 C ATOM 1375 CE2 PHE A 86 3.563 -34.030 13.552 1.00 0.00 C ATOM 1376 CZ PHE A 86 3.301 -34.193 12.208 1.00 0.00 C ATOM 0 H PHE A 86 -1.027 -36.027 14.915 1.00 0.00 H new ATOM 0 HA PHE A 86 0.569 -38.252 13.791 1.00 0.00 H new ATOM 0 HB2 PHE A 86 1.155 -36.208 15.968 1.00 0.00 H new ATOM 0 HB3 PHE A 86 2.238 -37.503 15.497 1.00 0.00 H new ATOM 0 HD1 PHE A 86 1.208 -36.835 12.369 1.00 0.00 H new ATOM 0 HD2 PHE A 86 3.190 -34.745 15.530 1.00 0.00 H new ATOM 0 HE1 PHE A 86 2.254 -35.330 10.732 1.00 0.00 H new ATOM 0 HE2 PHE A 86 4.224 -33.242 13.882 1.00 0.00 H new ATOM 0 HZ PHE A 86 3.756 -33.532 11.485 1.00 0.00 H new ATOM 1386 N PRO A 87 0.139 -39.954 15.726 1.00 0.00 N ATOM 1387 CA PRO A 87 -0.305 -40.958 16.733 1.00 0.00 C ATOM 1388 C PRO A 87 0.280 -40.724 18.151 1.00 0.00 C ATOM 1389 O PRO A 87 -0.188 -41.343 19.117 1.00 0.00 O ATOM 1390 CB PRO A 87 0.181 -42.305 16.129 1.00 0.00 C ATOM 1391 CG PRO A 87 1.340 -41.927 15.263 1.00 0.00 C ATOM 1392 CD PRO A 87 0.969 -40.591 14.663 1.00 0.00 C ATOM 0 HA PRO A 87 -1.382 -40.912 16.897 1.00 0.00 H new ATOM 0 HB2 PRO A 87 0.479 -43.006 16.909 1.00 0.00 H new ATOM 0 HB3 PRO A 87 -0.606 -42.788 15.551 1.00 0.00 H new ATOM 0 HG2 PRO A 87 2.259 -41.856 15.845 1.00 0.00 H new ATOM 0 HG3 PRO A 87 1.511 -42.673 14.487 1.00 0.00 H new ATOM 0 HD2 PRO A 87 1.852 -39.995 14.431 1.00 0.00 H new ATOM 0 HD3 PRO A 87 0.411 -40.709 13.734 1.00 0.00 H new ATOM 1400 N GLU A 88 1.298 -39.838 18.276 1.00 0.00 N ATOM 1401 CA GLU A 88 1.894 -39.491 19.591 1.00 0.00 C ATOM 1402 C GLU A 88 1.088 -38.388 20.318 1.00 0.00 C ATOM 1403 O GLU A 88 1.333 -38.125 21.506 1.00 0.00 O ATOM 1404 CB GLU A 88 3.404 -39.100 19.470 1.00 0.00 C ATOM 1405 CG GLU A 88 3.751 -38.031 18.399 1.00 0.00 C ATOM 1406 CD GLU A 88 4.311 -38.621 17.092 1.00 0.00 C ATOM 1407 OE1 GLU A 88 3.539 -39.221 16.321 1.00 0.00 O ATOM 1408 OE2 GLU A 88 5.532 -38.509 16.838 1.00 0.00 O ATOM 0 H GLU A 88 1.723 -39.352 17.486 1.00 0.00 H new ATOM 0 HA GLU A 88 1.841 -40.393 20.201 1.00 0.00 H new ATOM 0 HB2 GLU A 88 3.742 -38.736 20.440 1.00 0.00 H new ATOM 0 HB3 GLU A 88 3.975 -40.002 19.251 1.00 0.00 H new ATOM 0 HG2 GLU A 88 2.855 -37.454 18.172 1.00 0.00 H new ATOM 0 HG3 GLU A 88 4.481 -37.336 18.815 1.00 0.00 H new ATOM 1415 N GLY A 89 0.140 -37.741 19.607 1.00 0.00 N ATOM 1416 CA GLY A 89 -0.804 -36.820 20.255 1.00 0.00 C ATOM 1417 C GLY A 89 -1.682 -36.066 19.270 1.00 0.00 C ATOM 1418 O GLY A 89 -2.469 -36.683 18.545 1.00 0.00 O ATOM 0 H GLY A 89 0.013 -37.840 18.600 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -1.439 -37.383 20.939 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -0.246 -36.102 20.856 1.00 0.00 H new ATOM 1422 N LYS A 90 -1.581 -34.720 19.277 1.00 0.00 N ATOM 1423 CA LYS A 90 -2.320 -33.856 18.356 1.00 0.00 C ATOM 1424 C LYS A 90 -1.763 -33.972 16.922 1.00 0.00 C ATOM 1425 O LYS A 90 -2.322 -34.714 16.101 1.00 0.00 O ATOM 1426 CB LYS A 90 -2.306 -32.395 18.887 1.00 0.00 C ATOM 1427 CG LYS A 90 -3.002 -31.348 17.985 1.00 0.00 C ATOM 1428 CD LYS A 90 -4.470 -31.685 17.645 1.00 0.00 C ATOM 1429 CE LYS A 90 -5.335 -31.944 18.895 1.00 0.00 C ATOM 1430 NZ LYS A 90 -6.782 -32.016 18.576 1.00 0.00 N ATOM 0 H LYS A 90 -0.982 -34.209 19.925 1.00 0.00 H new ATOM 0 HA LYS A 90 -3.359 -34.181 18.307 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -2.784 -32.379 19.867 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -1.270 -32.091 19.033 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -2.969 -30.378 18.481 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -2.438 -31.252 17.057 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -4.903 -30.863 17.075 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -4.495 -32.566 17.004 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -5.022 -32.877 19.363 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -5.165 -31.150 19.622 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -7.321 -32.191 19.448 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -7.090 -31.117 18.154 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -6.951 -32.790 17.903 1.00 0.00 H new ATOM 1444 N GLY A 91 -0.656 -33.270 16.627 1.00 0.00 N ATOM 1445 CA GLY A 91 -0.035 -33.322 15.301 1.00 0.00 C ATOM 1446 C GLY A 91 0.106 -31.973 14.634 1.00 0.00 C ATOM 1447 O GLY A 91 0.192 -31.891 13.405 1.00 0.00 O ATOM 0 H GLY A 91 -0.176 -32.662 17.291 1.00 0.00 H new ATOM 0 HA2 GLY A 91 0.952 -33.776 15.391 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -0.628 -33.973 14.659 1.00 0.00 H new ATOM 1451 N GLU A 92 0.201 -30.913 15.441 1.00 0.00 N ATOM 1452 CA GLU A 92 0.300 -29.539 14.927 1.00 0.00 C ATOM 1453 C GLU A 92 1.782 -29.187 14.718 1.00 0.00 C ATOM 1454 O GLU A 92 2.644 -29.627 15.478 1.00 0.00 O ATOM 1455 CB GLU A 92 -0.395 -28.518 15.897 1.00 0.00 C ATOM 1456 CG GLU A 92 0.417 -28.031 17.150 1.00 0.00 C ATOM 1457 CD GLU A 92 0.619 -29.042 18.310 1.00 0.00 C ATOM 1458 OE1 GLU A 92 0.146 -30.204 18.246 1.00 0.00 O ATOM 1459 OE2 GLU A 92 1.246 -28.649 19.331 1.00 0.00 O ATOM 0 H GLU A 92 0.212 -30.978 16.459 1.00 0.00 H new ATOM 0 HA GLU A 92 -0.222 -29.475 13.972 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -0.673 -27.639 15.315 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -1.321 -28.970 16.253 1.00 0.00 H new ATOM 0 HG2 GLU A 92 1.401 -27.709 16.809 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -0.084 -27.151 17.554 1.00 0.00 H new ATOM 1466 N VAL A 93 2.087 -28.459 13.628 1.00 0.00 N ATOM 1467 CA VAL A 93 3.457 -28.035 13.300 1.00 0.00 C ATOM 1468 C VAL A 93 3.457 -26.549 12.917 1.00 0.00 C ATOM 1469 O VAL A 93 2.596 -26.092 12.155 1.00 0.00 O ATOM 1470 CB VAL A 93 4.096 -28.920 12.148 1.00 0.00 C ATOM 1471 CG1 VAL A 93 4.286 -30.386 12.598 1.00 0.00 C ATOM 1472 CG2 VAL A 93 3.266 -28.865 10.844 1.00 0.00 C ATOM 0 H VAL A 93 1.390 -28.149 12.951 1.00 0.00 H new ATOM 0 HA VAL A 93 4.078 -28.179 14.184 1.00 0.00 H new ATOM 0 HB VAL A 93 5.077 -28.493 11.939 1.00 0.00 H new ATOM 0 HG11 VAL A 93 4.726 -30.962 11.784 1.00 0.00 H new ATOM 0 HG12 VAL A 93 4.947 -30.418 13.464 1.00 0.00 H new ATOM 0 HG13 VAL A 93 3.319 -30.813 12.864 1.00 0.00 H new ATOM 0 HG21 VAL A 93 3.741 -29.485 10.084 1.00 0.00 H new ATOM 0 HG22 VAL A 93 2.259 -29.235 11.038 1.00 0.00 H new ATOM 0 HG23 VAL A 93 3.212 -27.835 10.490 1.00 0.00 H new ATOM 1482 N ASP A 94 4.409 -25.797 13.487 1.00 0.00 N ATOM 1483 CA ASP A 94 4.580 -24.362 13.207 1.00 0.00 C ATOM 1484 C ASP A 94 5.367 -24.212 11.900 1.00 0.00 C ATOM 1485 O ASP A 94 6.557 -24.519 11.856 1.00 0.00 O ATOM 1486 CB ASP A 94 5.327 -23.665 14.376 1.00 0.00 C ATOM 1487 CG ASP A 94 4.657 -23.891 15.738 1.00 0.00 C ATOM 1488 OD1 ASP A 94 4.859 -24.967 16.334 1.00 0.00 O ATOM 1489 OD2 ASP A 94 3.921 -23.006 16.208 1.00 0.00 O ATOM 0 H ASP A 94 5.084 -26.166 14.157 1.00 0.00 H new ATOM 0 HA ASP A 94 3.604 -23.887 13.106 1.00 0.00 H new ATOM 0 HB2 ASP A 94 6.352 -24.034 14.416 1.00 0.00 H new ATOM 0 HB3 ASP A 94 5.381 -22.595 14.178 1.00 0.00 H new ATOM 1494 N VAL A 95 4.691 -23.760 10.839 1.00 0.00 N ATOM 1495 CA VAL A 95 5.265 -23.646 9.485 1.00 0.00 C ATOM 1496 C VAL A 95 5.375 -22.152 9.125 1.00 0.00 C ATOM 1497 O VAL A 95 4.689 -21.307 9.720 1.00 0.00 O ATOM 1498 CB VAL A 95 4.354 -24.402 8.430 1.00 0.00 C ATOM 1499 CG1 VAL A 95 4.961 -24.436 7.003 1.00 0.00 C ATOM 1500 CG2 VAL A 95 3.998 -25.826 8.911 1.00 0.00 C ATOM 0 H VAL A 95 3.718 -23.458 10.892 1.00 0.00 H new ATOM 0 HA VAL A 95 6.253 -24.106 9.464 1.00 0.00 H new ATOM 0 HB VAL A 95 3.436 -23.819 8.359 1.00 0.00 H new ATOM 0 HG11 VAL A 95 4.286 -24.968 6.333 1.00 0.00 H new ATOM 0 HG12 VAL A 95 5.101 -23.417 6.643 1.00 0.00 H new ATOM 0 HG13 VAL A 95 5.923 -24.947 7.029 1.00 0.00 H new ATOM 0 HG21 VAL A 95 3.373 -26.316 8.165 1.00 0.00 H new ATOM 0 HG22 VAL A 95 4.913 -26.401 9.053 1.00 0.00 H new ATOM 0 HG23 VAL A 95 3.457 -25.766 9.855 1.00 0.00 H new ATOM 1510 N ALA A 96 6.278 -21.831 8.195 1.00 0.00 N ATOM 1511 CA ALA A 96 6.394 -20.506 7.595 1.00 0.00 C ATOM 1512 C ALA A 96 6.394 -20.671 6.073 1.00 0.00 C ATOM 1513 O ALA A 96 7.402 -21.076 5.483 1.00 0.00 O ATOM 1514 CB ALA A 96 7.661 -19.786 8.094 1.00 0.00 C ATOM 0 H ALA A 96 6.959 -22.499 7.834 1.00 0.00 H new ATOM 0 HA ALA A 96 5.550 -19.883 7.889 1.00 0.00 H new ATOM 0 HB1 ALA A 96 7.725 -18.801 7.633 1.00 0.00 H new ATOM 0 HB2 ALA A 96 7.615 -19.677 9.178 1.00 0.00 H new ATOM 0 HB3 ALA A 96 8.541 -20.370 7.825 1.00 0.00 H new ATOM 1520 N CYS A 97 5.252 -20.394 5.444 1.00 0.00 N ATOM 1521 CA CYS A 97 5.106 -20.452 3.995 1.00 0.00 C ATOM 1522 C CYS A 97 5.398 -19.060 3.421 1.00 0.00 C ATOM 1523 O CYS A 97 4.603 -18.129 3.562 1.00 0.00 O ATOM 1524 CB CYS A 97 3.681 -20.930 3.640 1.00 0.00 C ATOM 1525 SG CYS A 97 3.289 -22.585 4.258 1.00 0.00 S ATOM 0 H CYS A 97 4.398 -20.122 5.931 1.00 0.00 H new ATOM 0 HA CYS A 97 5.810 -21.162 3.561 1.00 0.00 H new ATOM 0 HB2 CYS A 97 2.959 -20.221 4.045 1.00 0.00 H new ATOM 0 HB3 CYS A 97 3.564 -20.920 2.556 1.00 0.00 H new ATOM 0 HG CYS A 97 2.075 -22.900 3.915 1.00 0.00 H new ATOM 1531 N ILE A 98 6.580 -18.935 2.802 1.00 0.00 N ATOM 1532 CA ILE A 98 7.050 -17.698 2.174 1.00 0.00 C ATOM 1533 C ILE A 98 6.650 -17.690 0.686 1.00 0.00 C ATOM 1534 O ILE A 98 7.113 -18.512 -0.101 1.00 0.00 O ATOM 1535 CB ILE A 98 8.611 -17.484 2.367 1.00 0.00 C ATOM 1536 CG1 ILE A 98 9.121 -16.235 1.566 1.00 0.00 C ATOM 1537 CG2 ILE A 98 9.443 -18.757 2.057 1.00 0.00 C ATOM 1538 CD1 ILE A 98 10.594 -15.894 1.756 1.00 0.00 C ATOM 0 H ILE A 98 7.245 -19.704 2.724 1.00 0.00 H new ATOM 0 HA ILE A 98 6.568 -16.856 2.671 1.00 0.00 H new ATOM 0 HB ILE A 98 8.767 -17.282 3.427 1.00 0.00 H new ATOM 0 HG12 ILE A 98 8.939 -16.406 0.505 1.00 0.00 H new ATOM 0 HG13 ILE A 98 8.525 -15.370 1.856 1.00 0.00 H new ATOM 0 HG21 ILE A 98 10.502 -18.545 2.208 1.00 0.00 H new ATOM 0 HG22 ILE A 98 9.136 -19.564 2.723 1.00 0.00 H new ATOM 0 HG23 ILE A 98 9.277 -19.057 1.022 1.00 0.00 H new ATOM 0 HD11 ILE A 98 10.844 -15.016 1.160 1.00 0.00 H new ATOM 0 HD12 ILE A 98 10.786 -15.685 2.808 1.00 0.00 H new ATOM 0 HD13 ILE A 98 11.207 -16.737 1.436 1.00 0.00 H new ATOM 1550 N TYR A 99 5.733 -16.782 0.333 1.00 0.00 N ATOM 1551 CA TYR A 99 5.254 -16.604 -1.045 1.00 0.00 C ATOM 1552 C TYR A 99 5.959 -15.412 -1.698 1.00 0.00 C ATOM 1553 O TYR A 99 6.319 -14.450 -1.025 1.00 0.00 O ATOM 1554 CB TYR A 99 3.721 -16.362 -1.073 1.00 0.00 C ATOM 1555 CG TYR A 99 2.902 -17.415 -0.317 1.00 0.00 C ATOM 1556 CD1 TYR A 99 2.535 -18.618 -0.920 1.00 0.00 C ATOM 1557 CD2 TYR A 99 2.508 -17.203 1.007 1.00 0.00 C ATOM 1558 CE1 TYR A 99 1.801 -19.570 -0.233 1.00 0.00 C ATOM 1559 CE2 TYR A 99 1.774 -18.150 1.692 1.00 0.00 C ATOM 1560 CZ TYR A 99 1.425 -19.331 1.071 1.00 0.00 C ATOM 1561 OH TYR A 99 0.687 -20.272 1.753 1.00 0.00 O ATOM 0 H TYR A 99 5.298 -16.144 1.000 1.00 0.00 H new ATOM 0 HA TYR A 99 5.480 -17.516 -1.598 1.00 0.00 H new ATOM 0 HB2 TYR A 99 3.512 -15.381 -0.646 1.00 0.00 H new ATOM 0 HB3 TYR A 99 3.388 -16.336 -2.111 1.00 0.00 H new ATOM 0 HD1 TYR A 99 2.829 -18.810 -1.941 1.00 0.00 H new ATOM 0 HD2 TYR A 99 2.782 -16.283 1.502 1.00 0.00 H new ATOM 0 HE1 TYR A 99 1.525 -20.495 -0.717 1.00 0.00 H new ATOM 0 HE2 TYR A 99 1.473 -17.967 2.713 1.00 0.00 H new ATOM 0 HH TYR A 99 0.505 -19.950 2.661 1.00 0.00 H new ATOM 1571 N GLU A 100 6.142 -15.503 -3.011 1.00 0.00 N ATOM 1572 CA GLU A 100 6.583 -14.399 -3.856 1.00 0.00 C ATOM 1573 C GLU A 100 5.481 -14.123 -4.881 1.00 0.00 C ATOM 1574 O GLU A 100 5.201 -14.953 -5.763 1.00 0.00 O ATOM 1575 CB GLU A 100 7.909 -14.742 -4.566 1.00 0.00 C ATOM 1576 CG GLU A 100 8.469 -13.606 -5.444 1.00 0.00 C ATOM 1577 CD GLU A 100 9.731 -14.018 -6.218 1.00 0.00 C ATOM 1578 OE1 GLU A 100 10.821 -14.074 -5.608 1.00 0.00 O ATOM 1579 OE2 GLU A 100 9.642 -14.275 -7.440 1.00 0.00 O ATOM 0 H GLU A 100 5.984 -16.367 -3.529 1.00 0.00 H new ATOM 0 HA GLU A 100 6.764 -13.514 -3.246 1.00 0.00 H new ATOM 0 HB2 GLU A 100 8.653 -15.005 -3.814 1.00 0.00 H new ATOM 0 HB3 GLU A 100 7.758 -15.625 -5.187 1.00 0.00 H new ATOM 0 HG2 GLU A 100 7.703 -13.288 -6.151 1.00 0.00 H new ATOM 0 HG3 GLU A 100 8.699 -12.746 -4.815 1.00 0.00 H new ATOM 1586 N VAL A 101 4.852 -12.969 -4.731 1.00 0.00 N ATOM 1587 CA VAL A 101 3.766 -12.515 -5.587 1.00 0.00 C ATOM 1588 C VAL A 101 4.329 -11.551 -6.640 1.00 0.00 C ATOM 1589 O VAL A 101 4.765 -10.448 -6.314 1.00 0.00 O ATOM 1590 CB VAL A 101 2.671 -11.808 -4.712 1.00 0.00 C ATOM 1591 CG1 VAL A 101 1.458 -11.346 -5.554 1.00 0.00 C ATOM 1592 CG2 VAL A 101 2.232 -12.724 -3.540 1.00 0.00 C ATOM 0 H VAL A 101 5.087 -12.305 -3.993 1.00 0.00 H new ATOM 0 HA VAL A 101 3.306 -13.363 -6.095 1.00 0.00 H new ATOM 0 HB VAL A 101 3.119 -10.907 -4.292 1.00 0.00 H new ATOM 0 HG11 VAL A 101 0.728 -10.863 -4.905 1.00 0.00 H new ATOM 0 HG12 VAL A 101 1.791 -10.640 -6.315 1.00 0.00 H new ATOM 0 HG13 VAL A 101 1.000 -12.209 -6.036 1.00 0.00 H new ATOM 0 HG21 VAL A 101 1.473 -12.216 -2.946 1.00 0.00 H new ATOM 0 HG22 VAL A 101 1.821 -13.652 -3.938 1.00 0.00 H new ATOM 0 HG23 VAL A 101 3.094 -12.949 -2.912 1.00 0.00 H new ATOM 1602 N GLU A 102 4.313 -11.983 -7.899 1.00 0.00 N ATOM 1603 CA GLU A 102 4.788 -11.192 -9.042 1.00 0.00 C ATOM 1604 C GLU A 102 3.605 -10.939 -9.983 1.00 0.00 C ATOM 1605 O GLU A 102 2.872 -11.879 -10.312 1.00 0.00 O ATOM 1606 CB GLU A 102 5.924 -11.958 -9.775 1.00 0.00 C ATOM 1607 CG GLU A 102 6.507 -11.245 -11.009 1.00 0.00 C ATOM 1608 CD GLU A 102 7.562 -12.087 -11.749 1.00 0.00 C ATOM 1609 OE1 GLU A 102 8.757 -12.029 -11.377 1.00 0.00 O ATOM 1610 OE2 GLU A 102 7.196 -12.833 -12.688 1.00 0.00 O ATOM 0 H GLU A 102 3.965 -12.905 -8.162 1.00 0.00 H new ATOM 0 HA GLU A 102 5.189 -10.237 -8.703 1.00 0.00 H new ATOM 0 HB2 GLU A 102 6.732 -12.142 -9.067 1.00 0.00 H new ATOM 0 HB3 GLU A 102 5.543 -12.931 -10.084 1.00 0.00 H new ATOM 0 HG2 GLU A 102 5.697 -11.001 -11.697 1.00 0.00 H new ATOM 0 HG3 GLU A 102 6.956 -10.302 -10.698 1.00 0.00 H new ATOM 1617 N ASN A 103 3.415 -9.669 -10.390 1.00 0.00 N ATOM 1618 CA ASN A 103 2.331 -9.257 -11.322 1.00 0.00 C ATOM 1619 C ASN A 103 0.926 -9.526 -10.712 1.00 0.00 C ATOM 1620 O ASN A 103 -0.046 -9.807 -11.432 1.00 0.00 O ATOM 1621 CB ASN A 103 2.503 -9.955 -12.708 1.00 0.00 C ATOM 1622 CG ASN A 103 3.849 -9.661 -13.378 1.00 0.00 C ATOM 1623 OD1 ASN A 103 4.388 -8.558 -13.265 1.00 0.00 O ATOM 1624 ND2 ASN A 103 4.424 -10.654 -14.050 1.00 0.00 N ATOM 0 H ASN A 103 4.005 -8.895 -10.086 1.00 0.00 H new ATOM 0 HA ASN A 103 2.409 -8.181 -11.479 1.00 0.00 H new ATOM 0 HB2 ASN A 103 2.398 -11.032 -12.579 1.00 0.00 H new ATOM 0 HB3 ASN A 103 1.699 -9.634 -13.370 1.00 0.00 H new ATOM 0 HD21 ASN A 103 5.334 -10.513 -14.488 1.00 0.00 H new ATOM 0 HD22 ASN A 103 3.955 -11.556 -14.127 1.00 0.00 H new ATOM 1631 N GLY A 104 0.840 -9.412 -9.369 1.00 0.00 N ATOM 1632 CA GLY A 104 -0.423 -9.566 -8.629 1.00 0.00 C ATOM 1633 C GLY A 104 -0.778 -11.011 -8.269 1.00 0.00 C ATOM 1634 O GLY A 104 -1.743 -11.247 -7.530 1.00 0.00 O ATOM 0 H GLY A 104 1.643 -9.211 -8.773 1.00 0.00 H new ATOM 0 HA2 GLY A 104 -0.365 -8.980 -7.711 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -1.232 -9.145 -9.225 1.00 0.00 H new ATOM 1638 N ARG A 105 0.014 -11.982 -8.759 1.00 0.00 N ATOM 1639 CA ARG A 105 -0.254 -13.426 -8.579 1.00 0.00 C ATOM 1640 C ARG A 105 1.031 -14.126 -8.113 1.00 0.00 C ATOM 1641 O ARG A 105 2.128 -13.719 -8.487 1.00 0.00 O ATOM 1642 CB ARG A 105 -0.765 -14.061 -9.905 1.00 0.00 C ATOM 1643 CG ARG A 105 -2.097 -13.479 -10.438 1.00 0.00 C ATOM 1644 CD ARG A 105 -3.281 -13.734 -9.492 1.00 0.00 C ATOM 1645 NE ARG A 105 -4.507 -13.014 -9.897 1.00 0.00 N ATOM 1646 CZ ARG A 105 -5.042 -11.961 -9.251 1.00 0.00 C ATOM 1647 NH1 ARG A 105 -4.446 -11.441 -8.184 1.00 0.00 N ATOM 1648 NH2 ARG A 105 -6.167 -11.421 -9.683 1.00 0.00 N ATOM 0 H ARG A 105 0.861 -11.790 -9.293 1.00 0.00 H new ATOM 0 HA ARG A 105 -1.030 -13.552 -7.824 1.00 0.00 H new ATOM 0 HB2 ARG A 105 0.001 -13.935 -10.670 1.00 0.00 H new ATOM 0 HB3 ARG A 105 -0.889 -15.133 -9.753 1.00 0.00 H new ATOM 0 HG2 ARG A 105 -1.984 -12.406 -10.590 1.00 0.00 H new ATOM 0 HG3 ARG A 105 -2.315 -13.917 -11.412 1.00 0.00 H new ATOM 0 HD2 ARG A 105 -3.488 -14.804 -9.458 1.00 0.00 H new ATOM 0 HD3 ARG A 105 -3.004 -13.431 -8.482 1.00 0.00 H new ATOM 0 HE ARG A 105 -4.987 -13.342 -10.735 1.00 0.00 H new ATOM 0 HH11 ARG A 105 -3.571 -11.840 -7.844 1.00 0.00 H new ATOM 0 HH12 ARG A 105 -4.863 -10.643 -7.705 1.00 0.00 H new ATOM 0 HH21 ARG A 105 -6.632 -11.802 -10.507 1.00 0.00 H new ATOM 0 HH22 ARG A 105 -6.571 -10.623 -9.192 1.00 0.00 H new ATOM 1662 N ILE A 106 0.880 -15.174 -7.295 1.00 0.00 N ATOM 1663 CA ILE A 106 2.013 -15.896 -6.681 1.00 0.00 C ATOM 1664 C ILE A 106 2.796 -16.668 -7.754 1.00 0.00 C ATOM 1665 O ILE A 106 2.358 -17.727 -8.206 1.00 0.00 O ATOM 1666 CB ILE A 106 1.500 -16.868 -5.555 1.00 0.00 C ATOM 1667 CG1 ILE A 106 0.661 -16.073 -4.510 1.00 0.00 C ATOM 1668 CG2 ILE A 106 2.664 -17.630 -4.868 1.00 0.00 C ATOM 1669 CD1 ILE A 106 -0.026 -16.928 -3.476 1.00 0.00 C ATOM 0 H ILE A 106 -0.032 -15.550 -7.036 1.00 0.00 H new ATOM 0 HA ILE A 106 2.684 -15.170 -6.223 1.00 0.00 H new ATOM 0 HB ILE A 106 0.865 -17.620 -6.024 1.00 0.00 H new ATOM 0 HG12 ILE A 106 1.315 -15.365 -4.001 1.00 0.00 H new ATOM 0 HG13 ILE A 106 -0.092 -15.488 -5.038 1.00 0.00 H new ATOM 0 HG21 ILE A 106 2.263 -18.289 -4.098 1.00 0.00 H new ATOM 0 HG22 ILE A 106 3.199 -18.223 -5.610 1.00 0.00 H new ATOM 0 HG23 ILE A 106 3.349 -16.914 -4.413 1.00 0.00 H new ATOM 0 HD11 ILE A 106 -0.586 -16.291 -2.791 1.00 0.00 H new ATOM 0 HD12 ILE A 106 -0.709 -17.618 -3.970 1.00 0.00 H new ATOM 0 HD13 ILE A 106 0.720 -17.494 -2.918 1.00 0.00 H new ATOM 1681 N ALA A 107 3.934 -16.095 -8.183 1.00 0.00 N ATOM 1682 CA ALA A 107 4.795 -16.676 -9.229 1.00 0.00 C ATOM 1683 C ALA A 107 5.716 -17.757 -8.655 1.00 0.00 C ATOM 1684 O ALA A 107 6.160 -18.650 -9.380 1.00 0.00 O ATOM 1685 CB ALA A 107 5.615 -15.571 -9.910 1.00 0.00 C ATOM 0 H ALA A 107 4.284 -15.212 -7.812 1.00 0.00 H new ATOM 0 HA ALA A 107 4.155 -17.150 -9.973 1.00 0.00 H new ATOM 0 HB1 ALA A 107 6.248 -16.010 -10.681 1.00 0.00 H new ATOM 0 HB2 ALA A 107 4.941 -14.845 -10.364 1.00 0.00 H new ATOM 0 HB3 ALA A 107 6.239 -15.072 -9.169 1.00 0.00 H new ATOM 1691 N LYS A 108 6.013 -17.658 -7.352 1.00 0.00 N ATOM 1692 CA LYS A 108 6.863 -18.627 -6.626 1.00 0.00 C ATOM 1693 C LYS A 108 6.343 -18.762 -5.198 1.00 0.00 C ATOM 1694 O LYS A 108 5.788 -17.815 -4.658 1.00 0.00 O ATOM 1695 CB LYS A 108 8.354 -18.169 -6.605 1.00 0.00 C ATOM 1696 CG LYS A 108 9.070 -18.223 -7.977 1.00 0.00 C ATOM 1697 CD LYS A 108 10.478 -17.597 -7.959 1.00 0.00 C ATOM 1698 CE LYS A 108 11.148 -17.629 -9.345 1.00 0.00 C ATOM 1699 NZ LYS A 108 12.462 -16.943 -9.342 1.00 0.00 N ATOM 0 H LYS A 108 5.670 -16.899 -6.763 1.00 0.00 H new ATOM 0 HA LYS A 108 6.818 -19.588 -7.138 1.00 0.00 H new ATOM 0 HB2 LYS A 108 8.400 -17.148 -6.227 1.00 0.00 H new ATOM 0 HB3 LYS A 108 8.902 -18.795 -5.900 1.00 0.00 H new ATOM 0 HG2 LYS A 108 9.147 -19.262 -8.298 1.00 0.00 H new ATOM 0 HG3 LYS A 108 8.460 -17.705 -8.717 1.00 0.00 H new ATOM 0 HD2 LYS A 108 10.410 -16.565 -7.614 1.00 0.00 H new ATOM 0 HD3 LYS A 108 11.102 -18.132 -7.243 1.00 0.00 H new ATOM 0 HE2 LYS A 108 11.280 -18.664 -9.660 1.00 0.00 H new ATOM 0 HE3 LYS A 108 10.493 -17.154 -10.076 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 12.879 -16.987 -10.294 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 12.334 -15.948 -9.066 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 13.096 -17.411 -8.664 1.00 0.00 H new ATOM 1713 N ALA A 109 6.525 -19.939 -4.601 1.00 0.00 N ATOM 1714 CA ALA A 109 6.133 -20.213 -3.212 1.00 0.00 C ATOM 1715 C ALA A 109 7.018 -21.320 -2.644 1.00 0.00 C ATOM 1716 O ALA A 109 7.266 -22.322 -3.304 1.00 0.00 O ATOM 1717 CB ALA A 109 4.650 -20.602 -3.127 1.00 0.00 C ATOM 0 H ALA A 109 6.952 -20.739 -5.069 1.00 0.00 H new ATOM 0 HA ALA A 109 6.269 -19.308 -2.620 1.00 0.00 H new ATOM 0 HB1 ALA A 109 4.385 -20.800 -2.088 1.00 0.00 H new ATOM 0 HB2 ALA A 109 4.037 -19.785 -3.509 1.00 0.00 H new ATOM 0 HB3 ALA A 109 4.474 -21.497 -3.723 1.00 0.00 H new ATOM 1723 N TRP A 110 7.492 -21.110 -1.419 1.00 0.00 N ATOM 1724 CA TRP A 110 8.365 -22.037 -0.696 1.00 0.00 C ATOM 1725 C TRP A 110 7.789 -22.174 0.721 1.00 0.00 C ATOM 1726 O TRP A 110 7.482 -21.159 1.340 1.00 0.00 O ATOM 1727 CB TRP A 110 9.829 -21.479 -0.633 1.00 0.00 C ATOM 1728 CG TRP A 110 10.340 -20.820 -1.911 1.00 0.00 C ATOM 1729 CD1 TRP A 110 10.935 -21.429 -2.970 1.00 0.00 C ATOM 1730 CD2 TRP A 110 10.304 -19.417 -2.241 1.00 0.00 C ATOM 1731 NE1 TRP A 110 11.253 -20.518 -3.934 1.00 0.00 N ATOM 1732 CE2 TRP A 110 10.881 -19.277 -3.515 1.00 0.00 C ATOM 1733 CE3 TRP A 110 9.837 -18.274 -1.591 1.00 0.00 C ATOM 1734 CZ2 TRP A 110 11.007 -18.050 -4.146 1.00 0.00 C ATOM 1735 CZ3 TRP A 110 9.958 -17.051 -2.216 1.00 0.00 C ATOM 1736 CH2 TRP A 110 10.541 -16.949 -3.485 1.00 0.00 C ATOM 0 H TRP A 110 7.275 -20.268 -0.885 1.00 0.00 H new ATOM 0 HA TRP A 110 8.405 -23.003 -1.200 1.00 0.00 H new ATOM 0 HB2 TRP A 110 9.887 -20.752 0.177 1.00 0.00 H new ATOM 0 HB3 TRP A 110 10.500 -22.298 -0.375 1.00 0.00 H new ATOM 0 HD1 TRP A 110 11.129 -22.489 -3.039 1.00 0.00 H new ATOM 0 HE1 TRP A 110 11.698 -20.732 -4.826 1.00 0.00 H new ATOM 0 HE3 TRP A 110 9.387 -18.346 -0.612 1.00 0.00 H new ATOM 0 HZ2 TRP A 110 11.457 -17.967 -5.124 1.00 0.00 H new ATOM 0 HZ3 TRP A 110 9.599 -16.161 -1.721 1.00 0.00 H new ATOM 0 HH2 TRP A 110 10.624 -15.979 -3.952 1.00 0.00 H new ATOM 1747 N PHE A 111 7.603 -23.397 1.237 1.00 0.00 N ATOM 1748 CA PHE A 111 7.137 -23.577 2.629 1.00 0.00 C ATOM 1749 C PHE A 111 8.184 -24.361 3.423 1.00 0.00 C ATOM 1750 O PHE A 111 8.772 -25.326 2.912 1.00 0.00 O ATOM 1751 CB PHE A 111 5.727 -24.243 2.690 1.00 0.00 C ATOM 1752 CG PHE A 111 5.675 -25.767 2.553 1.00 0.00 C ATOM 1753 CD1 PHE A 111 5.596 -26.382 1.307 1.00 0.00 C ATOM 1754 CD2 PHE A 111 5.692 -26.586 3.686 1.00 0.00 C ATOM 1755 CE1 PHE A 111 5.527 -27.761 1.197 1.00 0.00 C ATOM 1756 CE2 PHE A 111 5.633 -27.957 3.578 1.00 0.00 C ATOM 1757 CZ PHE A 111 5.551 -28.550 2.333 1.00 0.00 C ATOM 0 H PHE A 111 7.763 -24.265 0.726 1.00 0.00 H new ATOM 0 HA PHE A 111 7.022 -22.596 3.089 1.00 0.00 H new ATOM 0 HB2 PHE A 111 5.264 -23.972 3.639 1.00 0.00 H new ATOM 0 HB3 PHE A 111 5.113 -23.810 1.900 1.00 0.00 H new ATOM 0 HD1 PHE A 111 5.588 -25.776 0.413 1.00 0.00 H new ATOM 0 HD2 PHE A 111 5.753 -26.134 4.665 1.00 0.00 H new ATOM 0 HE1 PHE A 111 5.454 -28.221 0.223 1.00 0.00 H new ATOM 0 HE2 PHE A 111 5.651 -28.570 4.467 1.00 0.00 H new ATOM 0 HZ PHE A 111 5.506 -29.626 2.247 1.00 0.00 H new ATOM 1767 N LYS A 112 8.411 -23.934 4.672 1.00 0.00 N ATOM 1768 CA LYS A 112 9.394 -24.548 5.567 1.00 0.00 C ATOM 1769 C LYS A 112 8.714 -24.902 6.898 1.00 0.00 C ATOM 1770 O LYS A 112 8.182 -24.028 7.594 1.00 0.00 O ATOM 1771 CB LYS A 112 10.614 -23.593 5.757 1.00 0.00 C ATOM 1772 CG LYS A 112 10.283 -22.192 6.323 1.00 0.00 C ATOM 1773 CD LYS A 112 11.458 -21.176 6.259 1.00 0.00 C ATOM 1774 CE LYS A 112 11.743 -20.638 4.834 1.00 0.00 C ATOM 1775 NZ LYS A 112 12.303 -21.664 3.909 1.00 0.00 N ATOM 0 H LYS A 112 7.913 -23.148 5.090 1.00 0.00 H new ATOM 0 HA LYS A 112 9.777 -25.471 5.132 1.00 0.00 H new ATOM 0 HB2 LYS A 112 11.330 -24.075 6.423 1.00 0.00 H new ATOM 0 HB3 LYS A 112 11.109 -23.469 4.794 1.00 0.00 H new ATOM 0 HG2 LYS A 112 9.435 -21.783 5.773 1.00 0.00 H new ATOM 0 HG3 LYS A 112 9.968 -22.299 7.361 1.00 0.00 H new ATOM 0 HD2 LYS A 112 11.236 -20.336 6.917 1.00 0.00 H new ATOM 0 HD3 LYS A 112 12.359 -21.653 6.644 1.00 0.00 H new ATOM 0 HE2 LYS A 112 10.818 -20.246 4.411 1.00 0.00 H new ATOM 0 HE3 LYS A 112 12.441 -19.803 4.903 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 12.996 -21.218 3.275 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 12.770 -22.411 4.461 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 11.534 -22.079 3.345 1.00 0.00 H new ATOM 1789 N ILE A 113 8.722 -26.195 7.247 1.00 0.00 N ATOM 1790 CA ILE A 113 8.094 -26.688 8.473 1.00 0.00 C ATOM 1791 C ILE A 113 9.120 -26.621 9.606 1.00 0.00 C ATOM 1792 O ILE A 113 10.269 -27.056 9.447 1.00 0.00 O ATOM 1793 CB ILE A 113 7.540 -28.154 8.296 1.00 0.00 C ATOM 1794 CG1 ILE A 113 6.320 -28.160 7.315 1.00 0.00 C ATOM 1795 CG2 ILE A 113 7.144 -28.798 9.660 1.00 0.00 C ATOM 1796 CD1 ILE A 113 5.830 -29.545 6.917 1.00 0.00 C ATOM 0 H ILE A 113 9.163 -26.924 6.687 1.00 0.00 H new ATOM 0 HA ILE A 113 7.237 -26.059 8.713 1.00 0.00 H new ATOM 0 HB ILE A 113 8.343 -28.757 7.872 1.00 0.00 H new ATOM 0 HG12 ILE A 113 5.496 -27.617 7.778 1.00 0.00 H new ATOM 0 HG13 ILE A 113 6.594 -27.613 6.413 1.00 0.00 H new ATOM 0 HG21 ILE A 113 6.768 -29.807 9.490 1.00 0.00 H new ATOM 0 HG22 ILE A 113 8.018 -28.841 10.309 1.00 0.00 H new ATOM 0 HG23 ILE A 113 6.369 -28.197 10.135 1.00 0.00 H new ATOM 0 HD11 ILE A 113 4.984 -29.450 6.237 1.00 0.00 H new ATOM 0 HD12 ILE A 113 6.635 -30.087 6.421 1.00 0.00 H new ATOM 0 HD13 ILE A 113 5.520 -30.091 7.808 1.00 0.00 H new ATOM 1808 N GLY A 114 8.689 -26.023 10.727 1.00 0.00 N ATOM 1809 CA GLY A 114 9.541 -25.842 11.901 1.00 0.00 C ATOM 1810 C GLY A 114 9.993 -27.161 12.524 1.00 0.00 C ATOM 1811 O GLY A 114 11.123 -27.607 12.301 1.00 0.00 O ATOM 0 H GLY A 114 7.745 -25.655 10.840 1.00 0.00 H new ATOM 0 HA2 GLY A 114 10.419 -25.261 11.619 1.00 0.00 H new ATOM 0 HA3 GLY A 114 9.001 -25.261 12.648 1.00 0.00 H new ATOM 1815 N GLU A 115 9.094 -27.786 13.293 1.00 0.00 N ATOM 1816 CA GLU A 115 9.334 -29.094 13.935 1.00 0.00 C ATOM 1817 C GLU A 115 7.968 -29.749 14.264 1.00 0.00 C ATOM 1818 O GLU A 115 6.945 -29.047 14.281 1.00 0.00 O ATOM 1819 CB GLU A 115 10.201 -28.937 15.238 1.00 0.00 C ATOM 1820 CG GLU A 115 9.407 -28.565 16.506 1.00 0.00 C ATOM 1821 CD GLU A 115 10.276 -28.455 17.766 1.00 0.00 C ATOM 1822 OE1 GLU A 115 10.492 -29.484 18.443 1.00 0.00 O ATOM 1823 OE2 GLU A 115 10.728 -27.337 18.096 1.00 0.00 O ATOM 0 H GLU A 115 8.171 -27.400 13.492 1.00 0.00 H new ATOM 0 HA GLU A 115 9.892 -29.732 13.249 1.00 0.00 H new ATOM 0 HB2 GLU A 115 10.730 -29.873 15.420 1.00 0.00 H new ATOM 0 HB3 GLU A 115 10.958 -28.172 15.063 1.00 0.00 H new ATOM 0 HG2 GLU A 115 8.900 -27.615 16.341 1.00 0.00 H new ATOM 0 HG3 GLU A 115 8.633 -29.315 16.673 1.00 0.00 H new ATOM 1830 N PRO A 116 7.920 -31.092 14.540 1.00 0.00 N ATOM 1831 CA PRO A 116 6.700 -31.749 15.057 1.00 0.00 C ATOM 1832 C PRO A 116 6.400 -31.354 16.522 1.00 0.00 C ATOM 1833 O PRO A 116 7.186 -31.642 17.435 1.00 0.00 O ATOM 1834 CB PRO A 116 7.022 -33.253 14.909 1.00 0.00 C ATOM 1835 CG PRO A 116 8.510 -33.328 15.024 1.00 0.00 C ATOM 1836 CD PRO A 116 9.022 -32.083 14.338 1.00 0.00 C ATOM 0 HA PRO A 116 5.799 -31.455 14.518 1.00 0.00 H new ATOM 0 HB2 PRO A 116 6.533 -33.842 15.685 1.00 0.00 H new ATOM 0 HB3 PRO A 116 6.678 -33.641 13.950 1.00 0.00 H new ATOM 0 HG2 PRO A 116 8.823 -33.360 16.067 1.00 0.00 H new ATOM 0 HG3 PRO A 116 8.897 -34.228 14.547 1.00 0.00 H new ATOM 0 HD2 PRO A 116 9.957 -31.738 14.779 1.00 0.00 H new ATOM 0 HD3 PRO A 116 9.214 -32.259 13.280 1.00 0.00 H new ATOM 1844 N ARG A 117 5.273 -30.655 16.721 1.00 0.00 N ATOM 1845 CA ARG A 117 4.776 -30.257 18.052 1.00 0.00 C ATOM 1846 C ARG A 117 3.557 -31.114 18.405 1.00 0.00 C ATOM 1847 O ARG A 117 2.830 -31.574 17.511 1.00 0.00 O ATOM 1848 CB ARG A 117 4.408 -28.748 18.061 1.00 0.00 C ATOM 1849 CG ARG A 117 5.605 -27.795 17.894 1.00 0.00 C ATOM 1850 CD ARG A 117 6.508 -27.718 19.145 1.00 0.00 C ATOM 1851 NE ARG A 117 7.666 -26.824 18.942 1.00 0.00 N ATOM 1852 CZ ARG A 117 7.612 -25.496 18.728 1.00 0.00 C ATOM 1853 NH1 ARG A 117 6.473 -24.816 18.850 1.00 0.00 N ATOM 1854 NH2 ARG A 117 8.724 -24.853 18.418 1.00 0.00 N ATOM 0 H ARG A 117 4.673 -30.346 15.957 1.00 0.00 H new ATOM 0 HA ARG A 117 5.555 -30.416 18.797 1.00 0.00 H new ATOM 0 HB2 ARG A 117 3.694 -28.557 17.260 1.00 0.00 H new ATOM 0 HB3 ARG A 117 3.904 -28.516 18.999 1.00 0.00 H new ATOM 0 HG2 ARG A 117 6.203 -28.121 17.043 1.00 0.00 H new ATOM 0 HG3 ARG A 117 5.235 -26.797 17.660 1.00 0.00 H new ATOM 0 HD2 ARG A 117 5.922 -27.364 19.993 1.00 0.00 H new ATOM 0 HD3 ARG A 117 6.862 -28.717 19.398 1.00 0.00 H new ATOM 0 HE ARG A 117 8.592 -27.252 18.966 1.00 0.00 H new ATOM 0 HH11 ARG A 117 5.615 -25.301 19.111 1.00 0.00 H new ATOM 0 HH12 ARG A 117 6.459 -23.810 18.682 1.00 0.00 H new ATOM 0 HH21 ARG A 117 9.604 -25.363 18.344 1.00 0.00 H new ATOM 0 HH22 ARG A 117 8.702 -23.847 18.252 1.00 0.00 H new ATOM 1868 N ILE A 118 3.351 -31.344 19.708 1.00 0.00 N ATOM 1869 CA ILE A 118 2.232 -32.142 20.233 1.00 0.00 C ATOM 1870 C ILE A 118 1.656 -31.439 21.481 1.00 0.00 C ATOM 1871 O ILE A 118 2.386 -31.192 22.450 1.00 0.00 O ATOM 1872 CB ILE A 118 2.688 -33.619 20.579 1.00 0.00 C ATOM 1873 CG1 ILE A 118 3.084 -34.422 19.295 1.00 0.00 C ATOM 1874 CG2 ILE A 118 1.595 -34.378 21.353 1.00 0.00 C ATOM 1875 CD1 ILE A 118 1.937 -34.663 18.321 1.00 0.00 C ATOM 0 H ILE A 118 3.963 -30.978 20.437 1.00 0.00 H new ATOM 0 HA ILE A 118 1.460 -32.217 19.467 1.00 0.00 H new ATOM 0 HB ILE A 118 3.570 -33.532 21.214 1.00 0.00 H new ATOM 0 HG12 ILE A 118 3.878 -33.884 18.776 1.00 0.00 H new ATOM 0 HG13 ILE A 118 3.496 -35.385 19.597 1.00 0.00 H new ATOM 0 HG21 ILE A 118 1.941 -35.388 21.574 1.00 0.00 H new ATOM 0 HG22 ILE A 118 1.380 -33.856 22.285 1.00 0.00 H new ATOM 0 HG23 ILE A 118 0.690 -34.429 20.748 1.00 0.00 H new ATOM 0 HD11 ILE A 118 2.302 -35.226 17.462 1.00 0.00 H new ATOM 0 HD12 ILE A 118 1.150 -35.230 18.819 1.00 0.00 H new ATOM 0 HD13 ILE A 118 1.538 -33.706 17.985 1.00 0.00 H new ATOM 1887 N VAL A 119 0.351 -31.099 21.430 1.00 0.00 N ATOM 1888 CA VAL A 119 -0.365 -30.459 22.566 1.00 0.00 C ATOM 1889 C VAL A 119 -0.480 -31.434 23.760 1.00 0.00 C ATOM 1890 O VAL A 119 -0.317 -31.030 24.920 1.00 0.00 O ATOM 1891 CB VAL A 119 -1.807 -29.955 22.160 1.00 0.00 C ATOM 1892 CG1 VAL A 119 -2.509 -29.217 23.333 1.00 0.00 C ATOM 1893 CG2 VAL A 119 -1.760 -29.062 20.906 1.00 0.00 C ATOM 0 H VAL A 119 -0.236 -31.256 20.611 1.00 0.00 H new ATOM 0 HA VAL A 119 0.226 -29.591 22.856 1.00 0.00 H new ATOM 0 HB VAL A 119 -2.397 -30.840 21.922 1.00 0.00 H new ATOM 0 HG11 VAL A 119 -3.498 -28.886 23.015 1.00 0.00 H new ATOM 0 HG12 VAL A 119 -2.609 -29.894 24.181 1.00 0.00 H new ATOM 0 HG13 VAL A 119 -1.914 -28.352 23.627 1.00 0.00 H new ATOM 0 HG21 VAL A 119 -2.769 -28.733 20.655 1.00 0.00 H new ATOM 0 HG22 VAL A 119 -1.133 -28.192 21.102 1.00 0.00 H new ATOM 0 HG23 VAL A 119 -1.345 -29.628 20.072 1.00 0.00 H new ATOM 1903 N SER A 120 -0.771 -32.715 23.443 1.00 0.00 N ATOM 1904 CA SER A 120 -0.963 -33.787 24.442 1.00 0.00 C ATOM 1905 C SER A 120 0.297 -33.952 25.328 1.00 0.00 C ATOM 1906 O SER A 120 0.275 -33.655 26.528 1.00 0.00 O ATOM 1907 CB SER A 120 -1.302 -35.109 23.710 1.00 0.00 C ATOM 1908 OG SER A 120 -2.356 -34.923 22.775 1.00 0.00 O ATOM 0 H SER A 120 -0.880 -33.035 22.481 1.00 0.00 H new ATOM 0 HA SER A 120 -1.790 -33.519 25.100 1.00 0.00 H new ATOM 0 HB2 SER A 120 -0.416 -35.480 23.194 1.00 0.00 H new ATOM 0 HB3 SER A 120 -1.588 -35.868 24.438 1.00 0.00 H new ATOM 0 HG SER A 120 -2.549 -35.772 22.326 1.00 0.00 H new ATOM 1914 N GLN A 121 1.397 -34.398 24.701 1.00 0.00 N ATOM 1915 CA GLN A 121 2.707 -34.527 25.344 1.00 0.00 C ATOM 1916 C GLN A 121 3.470 -33.190 25.226 1.00 0.00 C ATOM 1917 O GLN A 121 4.088 -32.896 24.190 1.00 0.00 O ATOM 1918 CB GLN A 121 3.494 -35.699 24.694 1.00 0.00 C ATOM 1919 CG GLN A 121 4.905 -35.942 25.280 1.00 0.00 C ATOM 1920 CD GLN A 121 5.671 -37.105 24.629 1.00 0.00 C ATOM 1921 OE1 GLN A 121 5.449 -37.345 23.344 1.00 0.00 O flip ATOM 1922 NE2 GLN A 121 6.473 -37.775 25.279 1.00 0.00 N flip ATOM 0 H GLN A 121 1.398 -34.682 23.721 1.00 0.00 H new ATOM 0 HA GLN A 121 2.586 -34.754 26.403 1.00 0.00 H new ATOM 0 HB2 GLN A 121 2.910 -36.613 24.801 1.00 0.00 H new ATOM 0 HB3 GLN A 121 3.589 -35.505 23.626 1.00 0.00 H new ATOM 0 HG2 GLN A 121 5.492 -35.030 25.171 1.00 0.00 H new ATOM 0 HG3 GLN A 121 4.813 -36.136 26.349 1.00 0.00 H new ATOM 0 HE21 GLN A 121 6.626 -37.570 26.266 1.00 0.00 H new ATOM 0 HE22 GLN A 121 6.985 -38.535 24.830 1.00 0.00 H new ATOM 1931 N LYS A 122 3.357 -32.365 26.278 1.00 0.00 N ATOM 1932 CA LYS A 122 4.039 -31.066 26.374 1.00 0.00 C ATOM 1933 C LYS A 122 4.387 -30.798 27.852 1.00 0.00 C ATOM 1934 O LYS A 122 3.493 -30.755 28.709 1.00 0.00 O ATOM 1935 CB LYS A 122 3.134 -29.932 25.808 1.00 0.00 C ATOM 1936 CG LYS A 122 3.814 -28.542 25.730 1.00 0.00 C ATOM 1937 CD LYS A 122 2.864 -27.422 25.236 1.00 0.00 C ATOM 1938 CE LYS A 122 2.320 -27.657 23.813 1.00 0.00 C ATOM 1939 NZ LYS A 122 1.442 -26.543 23.375 1.00 0.00 N ATOM 0 H LYS A 122 2.784 -32.583 27.093 1.00 0.00 H new ATOM 0 HA LYS A 122 4.954 -31.087 25.782 1.00 0.00 H new ATOM 0 HB2 LYS A 122 2.801 -30.215 24.810 1.00 0.00 H new ATOM 0 HB3 LYS A 122 2.243 -29.851 26.431 1.00 0.00 H new ATOM 0 HG2 LYS A 122 4.196 -28.276 26.716 1.00 0.00 H new ATOM 0 HG3 LYS A 122 4.672 -28.602 25.061 1.00 0.00 H new ATOM 0 HD2 LYS A 122 2.025 -27.337 25.927 1.00 0.00 H new ATOM 0 HD3 LYS A 122 3.394 -26.470 25.261 1.00 0.00 H new ATOM 0 HE2 LYS A 122 3.152 -27.761 23.117 1.00 0.00 H new ATOM 0 HE3 LYS A 122 1.763 -28.593 23.786 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 1.093 -26.733 22.414 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 0.635 -26.460 24.026 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 1.982 -25.654 23.378 1.00 0.00 H new ATOM 1953 N SER A 123 5.686 -30.625 28.141 1.00 0.00 N ATOM 1954 CA SER A 123 6.188 -30.413 29.506 1.00 0.00 C ATOM 1955 C SER A 123 7.497 -29.587 29.434 1.00 0.00 C ATOM 1956 O SER A 123 8.583 -30.177 29.234 1.00 0.00 O ATOM 1957 CB SER A 123 6.387 -31.785 30.218 1.00 0.00 C ATOM 1958 OG SER A 123 6.741 -31.637 31.587 1.00 0.00 O ATOM 1959 OXT SER A 123 7.430 -28.342 29.527 1.00 0.00 O ATOM 0 H SER A 123 6.419 -30.628 27.432 1.00 0.00 H new ATOM 0 HA SER A 123 5.466 -29.851 30.099 1.00 0.00 H new ATOM 0 HB2 SER A 123 5.468 -32.367 30.144 1.00 0.00 H new ATOM 0 HB3 SER A 123 7.164 -32.349 29.703 1.00 0.00 H new ATOM 0 HG SER A 123 6.854 -32.522 31.993 1.00 0.00 H new TER 1965 SER A 123