USER MOD reduce.3.24.130724 H: found=0, std=0, add=985, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 961 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 37 THR OG1 : rot 180:sc= 0.0274 USER MOD Set 1.2: A 76 THR OG1 : rot 84:sc=-0.00652 USER MOD Set 2.1: A 26 MET CE :methyl 157:sc= -7.74! (180deg=-8.88!) USER MOD Set 2.2: A 74 GLN : amide:sc= -53.8! C(o=-62!,f=-52!) USER MOD Set 3.1: A 20 HIS : no HE2:sc= -39.3! C(o=-83!,f=-83!) USER MOD Set 3.2: A 38 HIS : no HD1:sc= -43.9! C(o=-83!,f=-83!) USER MOD Set 4.1: A 16 TYR OH : rot 93:sc= -8.42! USER MOD Set 4.2: A 35 ASN : amide:sc= -26.4! C(o=-35!,f=-33!) USER MOD Single : A 2 SER OG : rot -19:sc= 0.782 USER MOD Single : A 3 ASN : amide:sc= -17.7! C(o=-18!,f=-31!) USER MOD Single : A 4 GLN : amide:sc= 0 K(o=0,f=-0.65) USER MOD Single : A 6 TYR OH : rot 120:sc= 1.3 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot 47:sc= -3.56! USER MOD Single : A 21 SER OG : rot -126:sc= -2.99! USER MOD Single : A 22 THR OG1 : rot 2:sc= 0.838! USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 163:sc= 0.0573! (180deg=-1.1!) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ 163:sc= -0.0312 (180deg=-0.156) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 ASN : amide:sc= -17.6! C(o=-18!,f=-17!) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ -167:sc= -1.42 (180deg=-2.21!) USER MOD Single : A 51 THR OG1 : rot 79:sc= 0.262 USER MOD Single : A 56 LYS NZ :NH3+ -151:sc= -0.345 (180deg=-2!) USER MOD Single : A 60 LYS NZ :NH3+ 155:sc= -1.67! (180deg=-4.35!) USER MOD Single : A 62 THR OG1 : rot -80:sc= -7.24! USER MOD Single : A 63 HIS : no HD1:sc= -20.8! C(o=-21!,f=-19!) USER MOD Single : A 65 LYS NZ :NH3+ -156:sc= -1.1 (180deg=-2.6!) USER MOD Single : A 67 GLN : amide:sc= -17! C(o=-17!,f=-5.9!) USER MOD Single : A 72 LYS NZ :NH3+ -140:sc= 0.531 (180deg=-0.483!) USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 81 ASN : amide:sc= -7.54! C(o=-7.5!,f=-26!) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 GLN : amide:sc= -2.41! K(o=-2.4!,f=-0.15) USER MOD Single : A 89 LYS NZ :NH3+ 152:sc= -7.57! (180deg=-8.55!) USER MOD Single : A 91 SER OG : rot 65:sc= -4.58! USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD Single : A 95 GLN : amide:sc= -4.34! K(o=-4.3!,f=-0.54) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 THR OG1 : rot 26:sc= -21.8! USER MOD Single : A 104 GLN : amide:sc= -0.444 K(o=-0.44,f=-2.6!) USER MOD Single : A 105 THR OG1 : rot 180:sc= 0 USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD Single : A 110 SER OG : rot 180:sc= 0.131 USER MOD Single : A 116 LYS NZ :NH3+ -167:sc= -5.95! (180deg=-6.16!) USER MOD Single : A 117 HIS : no HD1:sc= -16.6! C(o=-17!,f=-12!) USER MOD Single : A 118 HIS : no HD1:sc= -0.51 X(o=-0.51,f=-0.26) USER MOD Single : A 119 HIS : no HD1:sc= -0.303 X(o=-0.3,f=-0.14) USER MOD Single : A 121 SER OG : rot -16:sc= 0.327! USER MOD Single : A 122 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 2 0.006 -5.644 8.548 1.00 1.00 N ATOM 2 CA SER A 2 -1.286 -6.267 8.139 1.00 1.00 C ATOM 3 C SER A 2 -2.447 -5.308 8.415 1.00 1.00 C ATOM 4 O SER A 2 -3.347 -5.159 7.612 1.00 1.00 O ATOM 5 CB SER A 2 -1.411 -7.521 9.001 1.00 1.00 C ATOM 6 OG SER A 2 -0.172 -7.767 9.655 1.00 1.00 O ATOM 0 HA SER A 2 -1.313 -6.500 7.074 1.00 1.00 H new ATOM 0 HB2 SER A 2 -2.205 -7.393 9.737 1.00 1.00 H new ATOM 0 HB3 SER A 2 -1.685 -8.376 8.382 1.00 1.00 H new ATOM 0 HG SER A 2 0.544 -7.285 9.191 1.00 1.00 H new ATOM 12 N ASN A 3 -2.435 -4.656 9.546 1.00 1.00 N ATOM 13 CA ASN A 3 -3.540 -3.709 9.872 1.00 1.00 C ATOM 14 C ASN A 3 -3.354 -2.393 9.111 1.00 1.00 C ATOM 15 O ASN A 3 -4.304 -1.691 8.827 1.00 1.00 O ATOM 16 CB ASN A 3 -3.429 -3.475 11.379 1.00 1.00 C ATOM 17 CG ASN A 3 -3.282 -1.978 11.655 1.00 1.00 C ATOM 18 OD1 ASN A 3 -3.194 -1.185 10.738 1.00 1.00 O ATOM 19 ND2 ASN A 3 -3.253 -1.554 12.890 1.00 1.00 N ATOM 0 H ASN A 3 -1.709 -4.738 10.258 1.00 1.00 H new ATOM 0 HA ASN A 3 -4.516 -4.103 9.590 1.00 1.00 H new ATOM 0 HB2 ASN A 3 -4.314 -3.863 11.884 1.00 1.00 H new ATOM 0 HB3 ASN A 3 -2.571 -4.015 11.779 1.00 1.00 H new ATOM 0 HD21 ASN A 3 -3.157 -0.557 13.085 1.00 1.00 H new ATOM 0 HD22 ASN A 3 -3.327 -2.219 13.660 1.00 1.00 H new ATOM 26 N GLN A 4 -2.138 -2.053 8.778 1.00 1.00 N ATOM 27 CA GLN A 4 -1.892 -0.783 8.036 1.00 1.00 C ATOM 28 C GLN A 4 -2.365 -0.912 6.586 1.00 1.00 C ATOM 29 O GLN A 4 -2.942 -1.908 6.195 1.00 1.00 O ATOM 30 CB GLN A 4 -0.380 -0.578 8.091 1.00 1.00 C ATOM 31 CG GLN A 4 0.078 -0.550 9.550 1.00 1.00 C ATOM 32 CD GLN A 4 1.607 -0.492 9.605 1.00 1.00 C ATOM 33 OE1 GLN A 4 2.234 0.096 8.748 1.00 1.00 O ATOM 34 NE2 GLN A 4 2.234 -1.082 10.584 1.00 1.00 N ATOM 0 H GLN A 4 -1.303 -2.601 8.988 1.00 1.00 H new ATOM 0 HA GLN A 4 -2.433 0.058 8.470 1.00 1.00 H new ATOM 0 HB2 GLN A 4 0.126 -1.381 7.555 1.00 1.00 H new ATOM 0 HB3 GLN A 4 -0.111 0.355 7.596 1.00 1.00 H new ATOM 0 HG2 GLN A 4 -0.348 0.315 10.059 1.00 1.00 H new ATOM 0 HG3 GLN A 4 -0.282 -1.437 10.072 1.00 1.00 H new ATOM 0 HE21 GLN A 4 1.706 -1.576 11.304 1.00 1.00 H new ATOM 0 HE22 GLN A 4 3.252 -1.050 10.630 1.00 1.00 H new ATOM 43 N ILE A 5 -2.123 0.090 5.785 1.00 1.00 N ATOM 44 CA ILE A 5 -2.555 0.028 4.359 1.00 1.00 C ATOM 45 C ILE A 5 -1.334 -0.011 3.437 1.00 1.00 C ATOM 46 O ILE A 5 -0.785 1.010 3.073 1.00 1.00 O ATOM 47 CB ILE A 5 -3.355 1.312 4.138 1.00 1.00 C ATOM 48 CG1 ILE A 5 -4.643 0.986 3.379 1.00 1.00 C ATOM 49 CG2 ILE A 5 -2.520 2.300 3.321 1.00 1.00 C ATOM 50 CD1 ILE A 5 -5.374 -0.159 4.082 1.00 1.00 C ATOM 0 H ILE A 5 -1.645 0.949 6.056 1.00 1.00 H new ATOM 0 HA ILE A 5 -3.143 -0.864 4.141 1.00 1.00 H new ATOM 0 HB ILE A 5 -3.603 1.755 5.102 1.00 1.00 H new ATOM 0 HG12 ILE A 5 -5.284 1.867 3.333 1.00 1.00 H new ATOM 0 HG13 ILE A 5 -4.411 0.707 2.351 1.00 1.00 H new ATOM 0 HG21 ILE A 5 -3.090 3.215 3.164 1.00 1.00 H new ATOM 0 HG22 ILE A 5 -1.602 2.533 3.860 1.00 1.00 H new ATOM 0 HG23 ILE A 5 -2.272 1.857 2.357 1.00 1.00 H new ATOM 0 HD11 ILE A 5 -6.292 -0.391 3.541 1.00 1.00 H new ATOM 0 HD12 ILE A 5 -4.733 -1.040 4.105 1.00 1.00 H new ATOM 0 HD13 ILE A 5 -5.619 0.138 5.102 1.00 1.00 H new ATOM 62 N TYR A 6 -0.902 -1.183 3.056 1.00 1.00 N ATOM 63 CA TYR A 6 0.285 -1.285 2.158 1.00 1.00 C ATOM 64 C TYR A 6 -0.017 -0.633 0.806 1.00 1.00 C ATOM 65 O TYR A 6 -1.157 -0.379 0.470 1.00 1.00 O ATOM 66 CB TYR A 6 0.525 -2.786 1.989 1.00 1.00 C ATOM 67 CG TYR A 6 0.964 -3.375 3.307 1.00 1.00 C ATOM 68 CD1 TYR A 6 1.468 -2.542 4.313 1.00 1.00 C ATOM 69 CD2 TYR A 6 0.868 -4.755 3.525 1.00 1.00 C ATOM 70 CE1 TYR A 6 1.875 -3.087 5.537 1.00 1.00 C ATOM 71 CE2 TYR A 6 1.275 -5.301 4.748 1.00 1.00 C ATOM 72 CZ TYR A 6 1.778 -4.467 5.754 1.00 1.00 C ATOM 73 OH TYR A 6 2.180 -5.005 6.960 1.00 1.00 O ATOM 0 H TYR A 6 -1.319 -2.073 3.327 1.00 1.00 H new ATOM 0 HA TYR A 6 1.158 -0.776 2.567 1.00 1.00 H new ATOM 0 HB2 TYR A 6 -0.387 -3.275 1.645 1.00 1.00 H new ATOM 0 HB3 TYR A 6 1.286 -2.960 1.229 1.00 1.00 H new ATOM 0 HD1 TYR A 6 1.543 -1.478 4.145 1.00 1.00 H new ATOM 0 HD2 TYR A 6 0.480 -5.398 2.749 1.00 1.00 H new ATOM 0 HE1 TYR A 6 2.263 -2.444 6.313 1.00 1.00 H new ATOM 0 HE2 TYR A 6 1.201 -6.365 4.916 1.00 1.00 H new ATOM 0 HH TYR A 6 1.420 -5.450 7.389 1.00 1.00 H new ATOM 83 N SER A 7 0.994 -0.355 0.029 1.00 1.00 N ATOM 84 CA SER A 7 0.758 0.286 -1.297 1.00 1.00 C ATOM 85 C SER A 7 1.238 -0.631 -2.427 1.00 1.00 C ATOM 86 O SER A 7 2.168 -1.396 -2.268 1.00 1.00 O ATOM 87 CB SER A 7 1.578 1.575 -1.264 1.00 1.00 C ATOM 88 OG SER A 7 1.549 2.182 -2.549 1.00 1.00 O ATOM 0 H SER A 7 1.971 -0.543 0.254 1.00 1.00 H new ATOM 0 HA SER A 7 -0.299 0.480 -1.479 1.00 1.00 H new ATOM 0 HB2 SER A 7 1.174 2.258 -0.517 1.00 1.00 H new ATOM 0 HB3 SER A 7 2.606 1.358 -0.974 1.00 1.00 H new ATOM 0 HG SER A 7 2.073 3.010 -2.531 1.00 1.00 H new ATOM 94 N ALA A 8 0.611 -0.551 -3.569 1.00 1.00 N ATOM 95 CA ALA A 8 1.026 -1.407 -4.717 1.00 1.00 C ATOM 96 C ALA A 8 0.723 -0.691 -6.036 1.00 1.00 C ATOM 97 O ALA A 8 -0.080 0.220 -6.085 1.00 1.00 O ATOM 98 CB ALA A 8 0.187 -2.679 -4.590 1.00 1.00 C ATOM 0 H ALA A 8 -0.174 0.073 -3.757 1.00 1.00 H new ATOM 0 HA ALA A 8 2.094 -1.626 -4.708 1.00 1.00 H new ATOM 0 HB1 ALA A 8 0.436 -3.362 -5.402 1.00 1.00 H new ATOM 0 HB2 ALA A 8 0.397 -3.160 -3.635 1.00 1.00 H new ATOM 0 HB3 ALA A 8 -0.871 -2.424 -4.642 1.00 1.00 H new ATOM 104 N ARG A 9 1.354 -1.091 -7.105 1.00 1.00 N ATOM 105 CA ARG A 9 1.092 -0.424 -8.413 1.00 1.00 C ATOM 106 C ARG A 9 1.215 -1.432 -9.559 1.00 1.00 C ATOM 107 O ARG A 9 2.245 -2.051 -9.747 1.00 1.00 O ATOM 108 CB ARG A 9 2.167 0.656 -8.529 1.00 1.00 C ATOM 109 CG ARG A 9 3.262 0.186 -9.490 1.00 1.00 C ATOM 110 CD ARG A 9 3.604 1.315 -10.464 1.00 1.00 C ATOM 111 NE ARG A 9 4.542 2.197 -9.715 1.00 1.00 N ATOM 112 CZ ARG A 9 4.371 3.490 -9.726 1.00 1.00 C ATOM 113 NH1 ARG A 9 3.377 4.012 -10.392 1.00 1.00 N ATOM 114 NH2 ARG A 9 5.192 4.262 -9.069 1.00 1.00 N ATOM 0 H ARG A 9 2.037 -1.848 -7.131 1.00 1.00 H new ATOM 0 HA ARG A 9 0.087 -0.006 -8.468 1.00 1.00 H new ATOM 0 HB2 ARG A 9 1.726 1.585 -8.890 1.00 1.00 H new ATOM 0 HB3 ARG A 9 2.594 0.865 -7.548 1.00 1.00 H new ATOM 0 HG2 ARG A 9 4.150 -0.108 -8.931 1.00 1.00 H new ATOM 0 HG3 ARG A 9 2.926 -0.693 -10.039 1.00 1.00 H new ATOM 0 HD2 ARG A 9 4.066 0.927 -11.372 1.00 1.00 H new ATOM 0 HD3 ARG A 9 2.710 1.858 -10.769 1.00 1.00 H new ATOM 0 HE ARG A 9 5.318 1.790 -9.193 1.00 1.00 H new ATOM 0 HH11 ARG A 9 2.734 3.409 -10.904 1.00 1.00 H new ATOM 0 HH12 ARG A 9 3.244 5.023 -10.400 1.00 1.00 H new ATOM 0 HH21 ARG A 9 5.968 3.854 -8.547 1.00 1.00 H new ATOM 0 HH22 ARG A 9 5.058 5.273 -9.078 1.00 1.00 H new ATOM 127 N TYR A 10 0.173 -1.602 -10.326 1.00 1.00 N ATOM 128 CA TYR A 10 0.230 -2.571 -11.457 1.00 1.00 C ATOM 129 C TYR A 10 -0.590 -2.055 -12.645 1.00 1.00 C ATOM 130 O TYR A 10 -1.288 -1.065 -12.550 1.00 1.00 O ATOM 131 CB TYR A 10 -0.380 -3.859 -10.903 1.00 1.00 C ATOM 132 CG TYR A 10 0.699 -4.685 -10.246 1.00 1.00 C ATOM 133 CD1 TYR A 10 1.413 -4.167 -9.159 1.00 1.00 C ATOM 134 CD2 TYR A 10 0.984 -5.969 -10.724 1.00 1.00 C ATOM 135 CE1 TYR A 10 2.414 -4.934 -8.550 1.00 1.00 C ATOM 136 CE2 TYR A 10 1.986 -6.736 -10.115 1.00 1.00 C ATOM 137 CZ TYR A 10 2.700 -6.219 -9.028 1.00 1.00 C ATOM 138 OH TYR A 10 3.687 -6.975 -8.429 1.00 1.00 O ATOM 0 H TYR A 10 -0.715 -1.112 -10.218 1.00 1.00 H new ATOM 0 HA TYR A 10 1.247 -2.722 -11.819 1.00 1.00 H new ATOM 0 HB2 TYR A 10 -1.162 -3.623 -10.181 1.00 1.00 H new ATOM 0 HB3 TYR A 10 -0.849 -4.427 -11.707 1.00 1.00 H new ATOM 0 HD1 TYR A 10 1.192 -3.176 -8.790 1.00 1.00 H new ATOM 0 HD2 TYR A 10 0.432 -6.368 -11.562 1.00 1.00 H new ATOM 0 HE1 TYR A 10 2.965 -4.535 -7.712 1.00 1.00 H new ATOM 0 HE2 TYR A 10 2.207 -7.726 -10.484 1.00 1.00 H new ATOM 0 HH TYR A 10 3.756 -7.841 -8.882 1.00 1.00 H new ATOM 148 N SER A 11 -0.512 -2.726 -13.762 1.00 1.00 N ATOM 149 CA SER A 11 -1.286 -2.288 -14.960 1.00 1.00 C ATOM 150 C SER A 11 -0.932 -0.846 -15.342 1.00 1.00 C ATOM 151 O SER A 11 -1.778 -0.080 -15.758 1.00 1.00 O ATOM 152 CB SER A 11 -2.751 -2.382 -14.535 1.00 1.00 C ATOM 153 OG SER A 11 -3.384 -1.127 -14.744 1.00 1.00 O ATOM 0 H SER A 11 0.057 -3.562 -13.897 1.00 1.00 H new ATOM 0 HA SER A 11 -1.067 -2.903 -15.833 1.00 1.00 H new ATOM 0 HB2 SER A 11 -3.258 -3.158 -15.108 1.00 1.00 H new ATOM 0 HB3 SER A 11 -2.819 -2.666 -13.485 1.00 1.00 H new ATOM 0 HG SER A 11 -3.151 -0.787 -15.633 1.00 1.00 H new ATOM 159 N GLY A 12 0.313 -0.474 -15.216 1.00 1.00 N ATOM 160 CA GLY A 12 0.717 0.914 -15.587 1.00 1.00 C ATOM 161 C GLY A 12 0.184 1.905 -14.552 1.00 1.00 C ATOM 162 O GLY A 12 0.534 3.069 -14.556 1.00 1.00 O ATOM 0 H GLY A 12 1.067 -1.069 -14.873 1.00 1.00 H new ATOM 0 HA2 GLY A 12 1.803 0.983 -15.644 1.00 1.00 H new ATOM 0 HA3 GLY A 12 0.330 1.163 -16.575 1.00 1.00 H new ATOM 166 N VAL A 13 -0.658 1.457 -13.664 1.00 1.00 N ATOM 167 CA VAL A 13 -1.209 2.379 -12.628 1.00 1.00 C ATOM 168 C VAL A 13 -0.921 1.826 -11.232 1.00 1.00 C ATOM 169 O VAL A 13 -1.114 0.656 -10.967 1.00 1.00 O ATOM 170 CB VAL A 13 -2.715 2.416 -12.892 1.00 1.00 C ATOM 171 CG1 VAL A 13 -3.071 3.706 -13.635 1.00 1.00 C ATOM 172 CG2 VAL A 13 -3.111 1.210 -13.748 1.00 1.00 C ATOM 0 H VAL A 13 -0.989 0.494 -13.609 1.00 1.00 H new ATOM 0 HA VAL A 13 -0.765 3.373 -12.676 1.00 1.00 H new ATOM 0 HB VAL A 13 -3.252 2.382 -11.944 1.00 1.00 H new ATOM 0 HG11 VAL A 13 -4.144 3.733 -13.823 1.00 1.00 H new ATOM 0 HG12 VAL A 13 -2.787 4.566 -13.028 1.00 1.00 H new ATOM 0 HG13 VAL A 13 -2.535 3.739 -14.584 1.00 1.00 H new ATOM 0 HG21 VAL A 13 -4.184 1.235 -13.937 1.00 1.00 H new ATOM 0 HG22 VAL A 13 -2.575 1.245 -14.696 1.00 1.00 H new ATOM 0 HG23 VAL A 13 -2.857 0.290 -13.221 1.00 1.00 H new ATOM 182 N ASP A 14 -0.450 2.650 -10.337 1.00 1.00 N ATOM 183 CA ASP A 14 -0.139 2.157 -8.966 1.00 1.00 C ATOM 184 C ASP A 14 -1.417 2.067 -8.126 1.00 1.00 C ATOM 185 O ASP A 14 -2.392 2.745 -8.381 1.00 1.00 O ATOM 186 CB ASP A 14 0.814 3.198 -8.378 1.00 1.00 C ATOM 187 CG ASP A 14 0.845 3.060 -6.856 1.00 1.00 C ATOM 188 OD1 ASP A 14 0.025 3.687 -6.206 1.00 1.00 O ATOM 189 OD2 ASP A 14 1.690 2.329 -6.364 1.00 1.00 O ATOM 0 H ASP A 14 -0.267 3.641 -10.495 1.00 1.00 H new ATOM 0 HA ASP A 14 0.300 1.160 -8.979 1.00 1.00 H new ATOM 0 HB2 ASP A 14 1.815 3.061 -8.786 1.00 1.00 H new ATOM 0 HB3 ASP A 14 0.490 4.201 -8.656 1.00 1.00 H new ATOM 194 N VAL A 15 -1.412 1.230 -7.126 1.00 1.00 N ATOM 195 CA VAL A 15 -2.618 1.081 -6.263 1.00 1.00 C ATOM 196 C VAL A 15 -2.193 0.773 -4.825 1.00 1.00 C ATOM 197 O VAL A 15 -1.022 0.650 -4.529 1.00 1.00 O ATOM 198 CB VAL A 15 -3.392 -0.093 -6.859 1.00 1.00 C ATOM 199 CG1 VAL A 15 -4.239 0.395 -8.035 1.00 1.00 C ATOM 200 CG2 VAL A 15 -2.405 -1.155 -7.350 1.00 1.00 C ATOM 0 H VAL A 15 -0.621 0.640 -6.868 1.00 1.00 H new ATOM 0 HA VAL A 15 -3.222 1.988 -6.232 1.00 1.00 H new ATOM 0 HB VAL A 15 -4.043 -0.522 -6.097 1.00 1.00 H new ATOM 0 HG11 VAL A 15 -4.791 -0.444 -8.459 1.00 1.00 H new ATOM 0 HG12 VAL A 15 -4.941 1.153 -7.688 1.00 1.00 H new ATOM 0 HG13 VAL A 15 -3.589 0.825 -8.798 1.00 1.00 H new ATOM 0 HG21 VAL A 15 -2.955 -1.994 -7.776 1.00 1.00 H new ATOM 0 HG22 VAL A 15 -1.755 -0.723 -8.111 1.00 1.00 H new ATOM 0 HG23 VAL A 15 -1.801 -1.505 -6.513 1.00 1.00 H new ATOM 210 N TYR A 16 -3.133 0.639 -3.930 1.00 1.00 N ATOM 211 CA TYR A 16 -2.774 0.329 -2.517 1.00 1.00 C ATOM 212 C TYR A 16 -3.340 -1.039 -2.128 1.00 1.00 C ATOM 213 O TYR A 16 -4.475 -1.355 -2.423 1.00 1.00 O ATOM 214 CB TYR A 16 -3.426 1.436 -1.688 1.00 1.00 C ATOM 215 CG TYR A 16 -4.822 1.016 -1.294 1.00 1.00 C ATOM 216 CD1 TYR A 16 -5.053 -0.270 -0.793 1.00 1.00 C ATOM 217 CD2 TYR A 16 -5.886 1.916 -1.431 1.00 1.00 C ATOM 218 CE1 TYR A 16 -6.348 -0.657 -0.428 1.00 1.00 C ATOM 219 CE2 TYR A 16 -7.182 1.529 -1.066 1.00 1.00 C ATOM 220 CZ TYR A 16 -7.412 0.242 -0.564 1.00 1.00 C ATOM 221 OH TYR A 16 -8.689 -0.140 -0.204 1.00 1.00 O ATOM 0 H TYR A 16 -4.132 0.730 -4.115 1.00 1.00 H new ATOM 0 HA TYR A 16 -1.696 0.289 -2.359 1.00 1.00 H new ATOM 0 HB2 TYR A 16 -2.830 1.636 -0.797 1.00 1.00 H new ATOM 0 HB3 TYR A 16 -3.462 2.362 -2.262 1.00 1.00 H new ATOM 0 HD1 TYR A 16 -4.232 -0.964 -0.688 1.00 1.00 H new ATOM 0 HD2 TYR A 16 -5.708 2.908 -1.818 1.00 1.00 H new ATOM 0 HE1 TYR A 16 -6.526 -1.650 -0.041 1.00 1.00 H new ATOM 0 HE2 TYR A 16 -8.003 2.223 -1.172 1.00 1.00 H new ATOM 0 HH TYR A 16 -8.858 0.119 0.726 1.00 1.00 H new ATOM 231 N GLU A 17 -2.562 -1.853 -1.470 1.00 1.00 N ATOM 232 CA GLU A 17 -3.065 -3.198 -1.070 1.00 1.00 C ATOM 233 C GLU A 17 -3.015 -3.356 0.451 1.00 1.00 C ATOM 234 O GLU A 17 -1.961 -3.513 1.036 1.00 1.00 O ATOM 235 CB GLU A 17 -2.117 -4.193 -1.742 1.00 1.00 C ATOM 236 CG GLU A 17 -0.932 -3.440 -2.352 1.00 1.00 C ATOM 237 CD GLU A 17 0.278 -4.371 -2.433 1.00 1.00 C ATOM 238 OE1 GLU A 17 0.078 -5.574 -2.393 1.00 1.00 O ATOM 239 OE2 GLU A 17 1.384 -3.866 -2.532 1.00 1.00 O ATOM 0 H GLU A 17 -1.602 -1.646 -1.192 1.00 1.00 H new ATOM 0 HA GLU A 17 -4.101 -3.354 -1.370 1.00 1.00 H new ATOM 0 HB2 GLU A 17 -1.762 -4.922 -1.013 1.00 1.00 H new ATOM 0 HB3 GLU A 17 -2.646 -4.749 -2.517 1.00 1.00 H new ATOM 0 HG2 GLU A 17 -1.192 -3.077 -3.346 1.00 1.00 H new ATOM 0 HG3 GLU A 17 -0.692 -2.566 -1.746 1.00 1.00 H new ATOM 246 N PHE A 18 -4.149 -3.324 1.097 1.00 1.00 N ATOM 247 CA PHE A 18 -4.168 -3.483 2.580 1.00 1.00 C ATOM 248 C PHE A 18 -4.917 -4.764 2.954 1.00 1.00 C ATOM 249 O PHE A 18 -5.849 -5.164 2.287 1.00 1.00 O ATOM 250 CB PHE A 18 -4.916 -2.259 3.111 1.00 1.00 C ATOM 251 CG PHE A 18 -4.585 -1.048 2.273 1.00 1.00 C ATOM 252 CD1 PHE A 18 -3.251 -0.668 2.083 1.00 1.00 C ATOM 253 CD2 PHE A 18 -5.615 -0.300 1.690 1.00 1.00 C ATOM 254 CE1 PHE A 18 -2.948 0.460 1.311 1.00 1.00 C ATOM 255 CE2 PHE A 18 -5.311 0.827 0.917 1.00 1.00 C ATOM 256 CZ PHE A 18 -3.978 1.207 0.727 1.00 1.00 C ATOM 0 H PHE A 18 -5.063 -3.195 0.663 1.00 1.00 H new ATOM 0 HA PHE A 18 -3.164 -3.555 2.999 1.00 1.00 H new ATOM 0 HB2 PHE A 18 -5.990 -2.442 3.091 1.00 1.00 H new ATOM 0 HB3 PHE A 18 -4.642 -2.078 4.150 1.00 1.00 H new ATOM 0 HD1 PHE A 18 -2.456 -1.245 2.532 1.00 1.00 H new ATOM 0 HD2 PHE A 18 -6.644 -0.592 1.837 1.00 1.00 H new ATOM 0 HE1 PHE A 18 -1.919 0.754 1.166 1.00 1.00 H new ATOM 0 HE2 PHE A 18 -6.106 1.403 0.467 1.00 1.00 H new ATOM 0 HZ PHE A 18 -3.744 2.076 0.130 1.00 1.00 H new ATOM 266 N ILE A 19 -4.525 -5.408 4.017 1.00 1.00 N ATOM 267 CA ILE A 19 -5.228 -6.658 4.425 1.00 1.00 C ATOM 268 C ILE A 19 -6.516 -6.311 5.172 1.00 1.00 C ATOM 269 O ILE A 19 -6.538 -5.437 6.016 1.00 1.00 O ATOM 270 CB ILE A 19 -4.248 -7.384 5.347 1.00 1.00 C ATOM 271 CG1 ILE A 19 -4.024 -8.808 4.832 1.00 1.00 C ATOM 272 CG2 ILE A 19 -4.825 -7.441 6.763 1.00 1.00 C ATOM 273 CD1 ILE A 19 -3.325 -8.754 3.472 1.00 1.00 C ATOM 0 H ILE A 19 -3.752 -5.126 4.619 1.00 1.00 H new ATOM 0 HA ILE A 19 -5.510 -7.274 3.571 1.00 1.00 H new ATOM 0 HB ILE A 19 -3.299 -6.848 5.362 1.00 1.00 H new ATOM 0 HG12 ILE A 19 -3.419 -9.372 5.542 1.00 1.00 H new ATOM 0 HG13 ILE A 19 -4.978 -9.328 4.742 1.00 1.00 H new ATOM 0 HG21 ILE A 19 -4.126 -7.959 7.420 1.00 1.00 H new ATOM 0 HG22 ILE A 19 -4.987 -6.428 7.131 1.00 1.00 H new ATOM 0 HG23 ILE A 19 -5.774 -7.977 6.748 1.00 1.00 H new ATOM 0 HD11 ILE A 19 -3.165 -9.768 3.105 1.00 1.00 H new ATOM 0 HD12 ILE A 19 -3.947 -8.206 2.765 1.00 1.00 H new ATOM 0 HD13 ILE A 19 -2.364 -8.250 3.577 1.00 1.00 H new ATOM 285 N HIS A 20 -7.592 -6.985 4.869 1.00 1.00 N ATOM 286 CA HIS A 20 -8.875 -6.685 5.566 1.00 1.00 C ATOM 287 C HIS A 20 -9.746 -7.942 5.644 1.00 1.00 C ATOM 288 O HIS A 20 -9.257 -9.038 5.836 1.00 1.00 O ATOM 289 CB HIS A 20 -9.551 -5.617 4.707 1.00 1.00 C ATOM 290 CG HIS A 20 -9.664 -4.339 5.491 1.00 1.00 C ATOM 291 ND1 HIS A 20 -8.777 -3.287 5.323 1.00 1.00 N ATOM 292 CD2 HIS A 20 -10.553 -3.929 6.454 1.00 1.00 C ATOM 293 CE1 HIS A 20 -9.148 -2.305 6.164 1.00 1.00 C ATOM 294 NE2 HIS A 20 -10.225 -2.645 6.878 1.00 1.00 N ATOM 0 H HIS A 20 -7.638 -7.728 4.172 1.00 1.00 H new ATOM 0 HA HIS A 20 -8.718 -6.347 6.590 1.00 1.00 H new ATOM 0 HB2 HIS A 20 -8.974 -5.448 3.798 1.00 1.00 H new ATOM 0 HB3 HIS A 20 -10.540 -5.956 4.399 1.00 1.00 H new ATOM 0 HD1 HIS A 20 -7.987 -3.262 4.679 1.00 1.00 H new ATOM 0 HD2 HIS A 20 -11.381 -4.514 6.826 1.00 1.00 H new ATOM 0 HE1 HIS A 20 -8.638 -1.357 6.251 1.00 1.00 H new ATOM 302 N SER A 21 -11.031 -7.791 5.483 1.00 1.00 N ATOM 303 CA SER A 21 -11.934 -8.977 5.539 1.00 1.00 C ATOM 304 C SER A 21 -11.661 -9.892 4.344 1.00 1.00 C ATOM 305 O SER A 21 -11.786 -11.098 4.429 1.00 1.00 O ATOM 306 CB SER A 21 -13.347 -8.404 5.465 1.00 1.00 C ATOM 307 OG SER A 21 -13.535 -7.479 6.528 1.00 1.00 O ATOM 0 H SER A 21 -11.496 -6.899 5.315 1.00 1.00 H new ATOM 0 HA SER A 21 -11.787 -9.572 6.440 1.00 1.00 H new ATOM 0 HB2 SER A 21 -13.502 -7.910 4.506 1.00 1.00 H new ATOM 0 HB3 SER A 21 -14.081 -9.207 5.532 1.00 1.00 H new ATOM 0 HG SER A 21 -14.334 -7.726 7.039 1.00 1.00 H new ATOM 313 N THR A 22 -11.276 -9.325 3.235 1.00 1.00 N ATOM 314 CA THR A 22 -10.978 -10.155 2.034 1.00 1.00 C ATOM 315 C THR A 22 -9.480 -10.450 1.971 1.00 1.00 C ATOM 316 O THR A 22 -8.952 -10.829 0.945 1.00 1.00 O ATOM 317 CB THR A 22 -11.409 -9.299 0.841 1.00 1.00 C ATOM 318 OG1 THR A 22 -10.748 -9.756 -0.330 1.00 1.00 O ATOM 319 CG2 THR A 22 -11.041 -7.837 1.101 1.00 1.00 C ATOM 0 H THR A 22 -11.154 -8.320 3.108 1.00 1.00 H new ATOM 0 HA THR A 22 -11.496 -11.114 2.049 1.00 1.00 H new ATOM 0 HB THR A 22 -12.487 -9.380 0.704 1.00 1.00 H new ATOM 0 HG1 THR A 22 -10.195 -10.535 -0.111 1.00 1.00 H new ATOM 0 HG21 THR A 22 -11.348 -7.228 0.251 1.00 1.00 H new ATOM 0 HG22 THR A 22 -11.549 -7.488 2.000 1.00 1.00 H new ATOM 0 HG23 THR A 22 -9.963 -7.752 1.238 1.00 1.00 H new ATOM 327 N GLY A 23 -8.787 -10.263 3.061 1.00 1.00 N ATOM 328 CA GLY A 23 -7.320 -10.515 3.063 1.00 1.00 C ATOM 329 C GLY A 23 -6.595 -9.205 2.752 1.00 1.00 C ATOM 330 O GLY A 23 -6.490 -8.333 3.589 1.00 1.00 O ATOM 0 H GLY A 23 -9.174 -9.947 3.950 1.00 1.00 H new ATOM 0 HA2 GLY A 23 -7.004 -10.900 4.033 1.00 1.00 H new ATOM 0 HA3 GLY A 23 -7.066 -11.272 2.321 1.00 1.00 H new ATOM 334 N SER A 24 -6.102 -9.055 1.552 1.00 1.00 N ATOM 335 CA SER A 24 -5.393 -7.796 1.189 1.00 1.00 C ATOM 336 C SER A 24 -6.329 -6.879 0.398 1.00 1.00 C ATOM 337 O SER A 24 -7.125 -7.330 -0.401 1.00 1.00 O ATOM 338 CB SER A 24 -4.214 -8.238 0.324 1.00 1.00 C ATOM 339 OG SER A 24 -3.611 -7.095 -0.269 1.00 1.00 O ATOM 0 H SER A 24 -6.160 -9.750 0.808 1.00 1.00 H new ATOM 0 HA SER A 24 -5.064 -7.237 2.065 1.00 1.00 H new ATOM 0 HB2 SER A 24 -3.484 -8.775 0.930 1.00 1.00 H new ATOM 0 HB3 SER A 24 -4.554 -8.927 -0.450 1.00 1.00 H new ATOM 0 HG SER A 24 -2.853 -7.376 -0.824 1.00 1.00 H new ATOM 345 N ILE A 25 -6.242 -5.595 0.615 1.00 1.00 N ATOM 346 CA ILE A 25 -7.130 -4.652 -0.125 1.00 1.00 C ATOM 347 C ILE A 25 -6.304 -3.784 -1.076 1.00 1.00 C ATOM 348 O ILE A 25 -5.376 -3.113 -0.673 1.00 1.00 O ATOM 349 CB ILE A 25 -7.780 -3.792 0.958 1.00 1.00 C ATOM 350 CG1 ILE A 25 -8.841 -4.612 1.693 1.00 1.00 C ATOM 351 CG2 ILE A 25 -8.438 -2.570 0.313 1.00 1.00 C ATOM 352 CD1 ILE A 25 -9.726 -3.679 2.521 1.00 1.00 C ATOM 0 H ILE A 25 -5.595 -5.158 1.272 1.00 1.00 H new ATOM 0 HA ILE A 25 -7.870 -5.172 -0.733 1.00 1.00 H new ATOM 0 HB ILE A 25 -7.019 -3.464 1.666 1.00 1.00 H new ATOM 0 HG12 ILE A 25 -9.448 -5.165 0.977 1.00 1.00 H new ATOM 0 HG13 ILE A 25 -8.363 -5.347 2.341 1.00 1.00 H new ATOM 0 HG21 ILE A 25 -8.902 -1.956 1.085 1.00 1.00 H new ATOM 0 HG22 ILE A 25 -7.683 -1.984 -0.211 1.00 1.00 H new ATOM 0 HG23 ILE A 25 -9.199 -2.898 -0.395 1.00 1.00 H new ATOM 0 HD11 ILE A 25 -10.482 -4.264 3.045 1.00 1.00 H new ATOM 0 HD12 ILE A 25 -9.113 -3.145 3.247 1.00 1.00 H new ATOM 0 HD13 ILE A 25 -10.215 -2.961 1.862 1.00 1.00 H new ATOM 364 N MET A 26 -6.632 -3.799 -2.339 1.00 1.00 N ATOM 365 CA MET A 26 -5.863 -2.980 -3.321 1.00 1.00 C ATOM 366 C MET A 26 -6.634 -1.703 -3.665 1.00 1.00 C ATOM 367 O MET A 26 -7.787 -1.548 -3.316 1.00 1.00 O ATOM 368 CB MET A 26 -5.724 -3.872 -4.556 1.00 1.00 C ATOM 369 CG MET A 26 -4.346 -4.536 -4.552 1.00 1.00 C ATOM 370 SD MET A 26 -4.330 -5.898 -5.746 1.00 1.00 S ATOM 371 CE MET A 26 -3.177 -5.152 -6.924 1.00 1.00 C ATOM 0 H MET A 26 -7.399 -4.343 -2.734 1.00 1.00 H new ATOM 0 HA MET A 26 -4.894 -2.669 -2.931 1.00 1.00 H new ATOM 0 HB2 MET A 26 -6.506 -4.632 -4.559 1.00 1.00 H new ATOM 0 HB3 MET A 26 -5.852 -3.280 -5.462 1.00 1.00 H new ATOM 0 HG2 MET A 26 -3.578 -3.806 -4.806 1.00 1.00 H new ATOM 0 HG3 MET A 26 -4.113 -4.909 -3.555 1.00 1.00 H new ATOM 0 HE1 MET A 26 -2.704 -5.935 -7.516 1.00 1.00 H new ATOM 0 HE2 MET A 26 -3.719 -4.475 -7.584 1.00 1.00 H new ATOM 0 HE3 MET A 26 -2.412 -4.596 -6.382 1.00 1.00 H new ATOM 381 N LYS A 27 -6.004 -0.786 -4.348 1.00 1.00 N ATOM 382 CA LYS A 27 -6.701 0.481 -4.715 1.00 1.00 C ATOM 383 C LYS A 27 -6.137 1.040 -6.024 1.00 1.00 C ATOM 384 O LYS A 27 -4.975 0.865 -6.335 1.00 1.00 O ATOM 385 CB LYS A 27 -6.415 1.438 -3.557 1.00 1.00 C ATOM 386 CG LYS A 27 -6.584 2.882 -4.033 1.00 1.00 C ATOM 387 CD LYS A 27 -5.406 3.723 -3.540 1.00 1.00 C ATOM 388 CE LYS A 27 -5.838 4.545 -2.324 1.00 1.00 C ATOM 389 NZ LYS A 27 -4.729 4.392 -1.342 1.00 1.00 N ATOM 0 H LYS A 27 -5.038 -0.859 -4.668 1.00 1.00 H new ATOM 0 HA LYS A 27 -7.770 0.333 -4.870 1.00 1.00 H new ATOM 0 HB2 LYS A 27 -7.093 1.236 -2.728 1.00 1.00 H new ATOM 0 HB3 LYS A 27 -5.402 1.283 -3.185 1.00 1.00 H new ATOM 0 HG2 LYS A 27 -6.637 2.914 -5.121 1.00 1.00 H new ATOM 0 HG3 LYS A 27 -7.521 3.293 -3.656 1.00 1.00 H new ATOM 0 HD2 LYS A 27 -4.569 3.076 -3.276 1.00 1.00 H new ATOM 0 HD3 LYS A 27 -5.060 4.384 -4.335 1.00 1.00 H new ATOM 0 HE2 LYS A 27 -5.989 5.592 -2.589 1.00 1.00 H new ATOM 0 HE3 LYS A 27 -6.780 4.180 -1.915 1.00 1.00 H new ATOM 0 HZ1 LYS A 27 -4.802 5.134 -0.617 1.00 1.00 H new ATOM 0 HZ2 LYS A 27 -4.793 3.458 -0.889 1.00 1.00 H new ATOM 0 HZ3 LYS A 27 -3.816 4.476 -1.833 1.00 1.00 H new ATOM 402 N ARG A 28 -6.949 1.714 -6.791 1.00 1.00 N ATOM 403 CA ARG A 28 -6.457 2.288 -8.077 1.00 1.00 C ATOM 404 C ARG A 28 -5.843 3.670 -7.835 1.00 1.00 C ATOM 405 O ARG A 28 -6.414 4.504 -7.162 1.00 1.00 O ATOM 406 CB ARG A 28 -7.698 2.398 -8.962 1.00 1.00 C ATOM 407 CG ARG A 28 -7.314 2.120 -10.417 1.00 1.00 C ATOM 408 CD ARG A 28 -8.500 1.483 -11.146 1.00 1.00 C ATOM 409 NE ARG A 28 -9.118 2.596 -11.919 1.00 1.00 N ATOM 410 CZ ARG A 28 -8.908 2.693 -13.204 1.00 1.00 C ATOM 411 NH1 ARG A 28 -8.155 1.817 -13.809 1.00 1.00 N ATOM 412 NH2 ARG A 28 -9.451 3.667 -13.881 1.00 1.00 N ATOM 0 H ARG A 28 -7.932 1.893 -6.584 1.00 1.00 H new ATOM 0 HA ARG A 28 -5.684 1.673 -8.537 1.00 1.00 H new ATOM 0 HB2 ARG A 28 -8.456 1.688 -8.633 1.00 1.00 H new ATOM 0 HB3 ARG A 28 -8.134 3.393 -8.874 1.00 1.00 H new ATOM 0 HG2 ARG A 28 -7.025 3.047 -10.911 1.00 1.00 H new ATOM 0 HG3 ARG A 28 -6.451 1.456 -10.456 1.00 1.00 H new ATOM 0 HD2 ARG A 28 -8.173 0.679 -11.805 1.00 1.00 H new ATOM 0 HD3 ARG A 28 -9.210 1.049 -10.442 1.00 1.00 H new ATOM 0 HE ARG A 28 -9.705 3.282 -11.445 1.00 1.00 H new ATOM 0 HH11 ARG A 28 -7.730 1.056 -13.278 1.00 1.00 H new ATOM 0 HH12 ARG A 28 -7.991 1.892 -14.813 1.00 1.00 H new ATOM 0 HH21 ARG A 28 -10.039 4.352 -13.406 1.00 1.00 H new ATOM 0 HH22 ARG A 28 -9.287 3.743 -14.885 1.00 1.00 H new ATOM 425 N LYS A 29 -4.682 3.916 -8.379 1.00 1.00 N ATOM 426 CA LYS A 29 -4.031 5.244 -8.178 1.00 1.00 C ATOM 427 C LYS A 29 -4.832 6.342 -8.883 1.00 1.00 C ATOM 428 O LYS A 29 -4.956 7.446 -8.392 1.00 1.00 O ATOM 429 CB LYS A 29 -2.646 5.104 -8.806 1.00 1.00 C ATOM 430 CG LYS A 29 -2.108 6.488 -9.174 1.00 1.00 C ATOM 431 CD LYS A 29 -0.579 6.473 -9.120 1.00 1.00 C ATOM 432 CE LYS A 29 -0.043 7.876 -9.415 1.00 1.00 C ATOM 433 NZ LYS A 29 0.852 8.194 -8.269 1.00 1.00 N ATOM 0 H LYS A 29 -4.156 3.257 -8.953 1.00 1.00 H new ATOM 0 HA LYS A 29 -3.976 5.521 -7.125 1.00 1.00 H new ATOM 0 HB2 LYS A 29 -1.967 4.612 -8.109 1.00 1.00 H new ATOM 0 HB3 LYS A 29 -2.700 4.476 -9.695 1.00 1.00 H new ATOM 0 HG2 LYS A 29 -2.444 6.767 -10.173 1.00 1.00 H new ATOM 0 HG3 LYS A 29 -2.499 7.237 -8.485 1.00 1.00 H new ATOM 0 HD2 LYS A 29 -0.243 6.143 -8.137 1.00 1.00 H new ATOM 0 HD3 LYS A 29 -0.186 5.762 -9.847 1.00 1.00 H new ATOM 0 HE2 LYS A 29 0.501 7.900 -10.359 1.00 1.00 H new ATOM 0 HE3 LYS A 29 -0.854 8.600 -9.495 1.00 1.00 H new ATOM 0 HZ1 LYS A 29 1.259 9.142 -8.399 1.00 1.00 H new ATOM 0 HZ2 LYS A 29 0.305 8.170 -7.385 1.00 1.00 H new ATOM 0 HZ3 LYS A 29 1.618 7.492 -8.222 1.00 1.00 H new ATOM 446 N LYS A 30 -5.373 6.048 -10.034 1.00 1.00 N ATOM 447 CA LYS A 30 -6.162 7.078 -10.770 1.00 1.00 C ATOM 448 C LYS A 30 -7.383 7.498 -9.948 1.00 1.00 C ATOM 449 O LYS A 30 -7.587 8.664 -9.672 1.00 1.00 O ATOM 450 CB LYS A 30 -6.598 6.392 -12.064 1.00 1.00 C ATOM 451 CG LYS A 30 -5.381 5.757 -12.741 1.00 1.00 C ATOM 452 CD LYS A 30 -4.777 6.749 -13.739 1.00 1.00 C ATOM 453 CE LYS A 30 -3.994 7.822 -12.981 1.00 1.00 C ATOM 454 NZ LYS A 30 -2.561 7.497 -13.225 1.00 1.00 N ATOM 0 H LYS A 30 -5.303 5.141 -10.496 1.00 1.00 H new ATOM 0 HA LYS A 30 -5.583 7.982 -10.962 1.00 1.00 H new ATOM 0 HB2 LYS A 30 -7.347 5.630 -11.849 1.00 1.00 H new ATOM 0 HB3 LYS A 30 -7.063 7.116 -12.733 1.00 1.00 H new ATOM 0 HG2 LYS A 30 -4.638 5.480 -11.993 1.00 1.00 H new ATOM 0 HG3 LYS A 30 -5.674 4.841 -13.254 1.00 1.00 H new ATOM 0 HD2 LYS A 30 -4.120 6.227 -14.434 1.00 1.00 H new ATOM 0 HD3 LYS A 30 -5.566 7.211 -14.332 1.00 1.00 H new ATOM 0 HE2 LYS A 30 -4.240 8.820 -13.344 1.00 1.00 H new ATOM 0 HE3 LYS A 30 -4.227 7.803 -11.916 1.00 1.00 H new ATOM 0 HZ1 LYS A 30 -1.973 8.323 -12.993 1.00 1.00 H new ATOM 0 HZ2 LYS A 30 -2.280 6.694 -12.627 1.00 1.00 H new ATOM 0 HZ3 LYS A 30 -2.427 7.247 -14.226 1.00 1.00 H new ATOM 467 N ASP A 31 -8.198 6.558 -9.555 1.00 1.00 N ATOM 468 CA ASP A 31 -9.406 6.906 -8.752 1.00 1.00 C ATOM 469 C ASP A 31 -9.314 6.283 -7.356 1.00 1.00 C ATOM 470 O ASP A 31 -10.231 6.372 -6.565 1.00 1.00 O ATOM 471 CB ASP A 31 -10.582 6.312 -9.529 1.00 1.00 C ATOM 472 CG ASP A 31 -11.308 7.426 -10.287 1.00 1.00 C ATOM 473 OD1 ASP A 31 -10.647 8.146 -11.017 1.00 1.00 O ATOM 474 OD2 ASP A 31 -12.511 7.539 -10.122 1.00 1.00 O ATOM 0 H ASP A 31 -8.081 5.565 -9.755 1.00 1.00 H new ATOM 0 HA ASP A 31 -9.512 7.982 -8.611 1.00 1.00 H new ATOM 0 HB2 ASP A 31 -10.225 5.555 -10.228 1.00 1.00 H new ATOM 0 HB3 ASP A 31 -11.270 5.815 -8.845 1.00 1.00 H new ATOM 479 N ASP A 32 -8.213 5.654 -7.048 1.00 1.00 N ATOM 480 CA ASP A 32 -8.062 5.027 -5.703 1.00 1.00 C ATOM 481 C ASP A 32 -9.373 4.362 -5.275 1.00 1.00 C ATOM 482 O ASP A 32 -10.004 4.772 -4.321 1.00 1.00 O ATOM 483 CB ASP A 32 -7.716 6.183 -4.764 1.00 1.00 C ATOM 484 CG ASP A 32 -6.902 7.232 -5.524 1.00 1.00 C ATOM 485 OD1 ASP A 32 -7.507 8.048 -6.198 1.00 1.00 O ATOM 486 OD2 ASP A 32 -5.687 7.201 -5.418 1.00 1.00 O ATOM 0 H ASP A 32 -7.411 5.547 -7.669 1.00 1.00 H new ATOM 0 HA ASP A 32 -7.297 4.251 -5.695 1.00 1.00 H new ATOM 0 HB2 ASP A 32 -8.628 6.631 -4.370 1.00 1.00 H new ATOM 0 HB3 ASP A 32 -7.147 5.814 -3.910 1.00 1.00 H new ATOM 491 N TRP A 33 -9.786 3.336 -5.968 1.00 1.00 N ATOM 492 CA TRP A 33 -11.055 2.645 -5.594 1.00 1.00 C ATOM 493 C TRP A 33 -10.771 1.549 -4.564 1.00 1.00 C ATOM 494 O TRP A 33 -9.657 1.084 -4.431 1.00 1.00 O ATOM 495 CB TRP A 33 -11.577 2.036 -6.895 1.00 1.00 C ATOM 496 CG TRP A 33 -11.276 2.956 -8.034 1.00 1.00 C ATOM 497 CD1 TRP A 33 -10.037 3.239 -8.498 1.00 1.00 C ATOM 498 CD2 TRP A 33 -12.205 3.717 -8.859 1.00 1.00 C ATOM 499 NE1 TRP A 33 -10.147 4.123 -9.555 1.00 1.00 N ATOM 500 CE2 TRP A 33 -11.463 4.448 -9.816 1.00 1.00 C ATOM 501 CE3 TRP A 33 -13.606 3.842 -8.871 1.00 1.00 C ATOM 502 CZ2 TRP A 33 -12.087 5.274 -10.751 1.00 1.00 C ATOM 503 CZ3 TRP A 33 -14.239 4.673 -9.810 1.00 1.00 C ATOM 504 CH2 TRP A 33 -13.480 5.387 -10.748 1.00 1.00 C ATOM 0 H TRP A 33 -9.301 2.946 -6.776 1.00 1.00 H new ATOM 0 HA TRP A 33 -11.780 3.325 -5.146 1.00 1.00 H new ATOM 0 HB2 TRP A 33 -11.113 1.065 -7.066 1.00 1.00 H new ATOM 0 HB3 TRP A 33 -12.652 1.868 -6.824 1.00 1.00 H new ATOM 0 HD1 TRP A 33 -9.113 2.840 -8.107 1.00 1.00 H new ATOM 0 HE1 TRP A 33 -9.352 4.490 -10.078 1.00 1.00 H new ATOM 0 HE3 TRP A 33 -14.199 3.295 -8.153 1.00 1.00 H new ATOM 0 HZ2 TRP A 33 -11.498 5.822 -11.472 1.00 1.00 H new ATOM 0 HZ3 TRP A 33 -15.315 4.762 -9.809 1.00 1.00 H new ATOM 0 HH2 TRP A 33 -13.972 6.024 -11.468 1.00 1.00 H new ATOM 515 N VAL A 34 -11.769 1.134 -3.833 1.00 1.00 N ATOM 516 CA VAL A 34 -11.552 0.068 -2.813 1.00 1.00 C ATOM 517 C VAL A 34 -12.291 -1.210 -3.217 1.00 1.00 C ATOM 518 O VAL A 34 -13.347 -1.165 -3.816 1.00 1.00 O ATOM 519 CB VAL A 34 -12.132 0.636 -1.518 1.00 1.00 C ATOM 520 CG1 VAL A 34 -11.579 -0.145 -0.324 1.00 1.00 C ATOM 521 CG2 VAL A 34 -11.737 2.109 -1.389 1.00 1.00 C ATOM 0 H VAL A 34 -12.724 1.486 -3.897 1.00 1.00 H new ATOM 0 HA VAL A 34 -10.499 -0.195 -2.708 1.00 1.00 H new ATOM 0 HB VAL A 34 -13.218 0.549 -1.537 1.00 1.00 H new ATOM 0 HG11 VAL A 34 -11.993 0.260 0.599 1.00 1.00 H new ATOM 0 HG12 VAL A 34 -11.857 -1.195 -0.416 1.00 1.00 H new ATOM 0 HG13 VAL A 34 -10.493 -0.058 -0.304 1.00 1.00 H new ATOM 0 HG21 VAL A 34 -12.149 2.517 -0.466 1.00 1.00 H new ATOM 0 HG22 VAL A 34 -10.650 2.194 -1.370 1.00 1.00 H new ATOM 0 HG23 VAL A 34 -12.129 2.667 -2.239 1.00 1.00 H new ATOM 531 N ASN A 35 -11.745 -2.351 -2.894 1.00 1.00 N ATOM 532 CA ASN A 35 -12.418 -3.631 -3.261 1.00 1.00 C ATOM 533 C ASN A 35 -13.752 -3.757 -2.520 1.00 1.00 C ATOM 534 O ASN A 35 -13.799 -4.138 -1.368 1.00 1.00 O ATOM 535 CB ASN A 35 -11.451 -4.728 -2.816 1.00 1.00 C ATOM 536 CG ASN A 35 -10.340 -4.114 -1.962 1.00 1.00 C ATOM 537 OD1 ASN A 35 -9.979 -2.969 -2.146 1.00 1.00 O ATOM 538 ND2 ASN A 35 -9.779 -4.832 -1.028 1.00 1.00 N ATOM 0 H ASN A 35 -10.863 -2.453 -2.392 1.00 1.00 H new ATOM 0 HA ASN A 35 -12.640 -3.691 -4.326 1.00 1.00 H new ATOM 0 HB2 ASN A 35 -11.985 -5.488 -2.246 1.00 1.00 H new ATOM 0 HB3 ASN A 35 -11.023 -5.225 -3.686 1.00 1.00 H new ATOM 0 HD21 ASN A 35 -9.038 -4.432 -0.453 1.00 1.00 H new ATOM 0 HD22 ASN A 35 -10.082 -5.794 -0.873 1.00 1.00 H new ATOM 545 N ALA A 36 -14.837 -3.441 -3.174 1.00 1.00 N ATOM 546 CA ALA A 36 -16.167 -3.545 -2.507 1.00 1.00 C ATOM 547 C ALA A 36 -16.210 -4.771 -1.592 1.00 1.00 C ATOM 548 O ALA A 36 -16.922 -4.795 -0.606 1.00 1.00 O ATOM 549 CB ALA A 36 -17.173 -3.692 -3.650 1.00 1.00 C ATOM 0 H ALA A 36 -14.860 -3.116 -4.140 1.00 1.00 H new ATOM 0 HA ALA A 36 -16.383 -2.678 -1.882 1.00 1.00 H new ATOM 0 HB1 ALA A 36 -18.180 -3.775 -3.240 1.00 1.00 H new ATOM 0 HB2 ALA A 36 -17.116 -2.818 -4.299 1.00 1.00 H new ATOM 0 HB3 ALA A 36 -16.941 -4.588 -4.226 1.00 1.00 H new ATOM 555 N THR A 37 -15.458 -5.792 -1.906 1.00 1.00 N ATOM 556 CA THR A 37 -15.468 -7.009 -1.043 1.00 1.00 C ATOM 557 C THR A 37 -15.033 -6.639 0.375 1.00 1.00 C ATOM 558 O THR A 37 -15.643 -7.036 1.347 1.00 1.00 O ATOM 559 CB THR A 37 -14.463 -7.967 -1.682 1.00 1.00 C ATOM 560 OG1 THR A 37 -14.718 -8.057 -3.077 1.00 1.00 O ATOM 561 CG2 THR A 37 -14.602 -9.349 -1.043 1.00 1.00 C ATOM 0 H THR A 37 -14.841 -5.836 -2.717 1.00 1.00 H new ATOM 0 HA THR A 37 -16.458 -7.459 -0.971 1.00 1.00 H new ATOM 0 HB THR A 37 -13.451 -7.596 -1.523 1.00 1.00 H new ATOM 0 HG1 THR A 37 -14.073 -8.670 -3.489 1.00 1.00 H new ATOM 0 HG21 THR A 37 -13.886 -10.034 -1.498 1.00 1.00 H new ATOM 0 HG22 THR A 37 -14.406 -9.277 0.027 1.00 1.00 H new ATOM 0 HG23 THR A 37 -15.613 -9.723 -1.202 1.00 1.00 H new ATOM 569 N HIS A 38 -13.992 -5.863 0.501 1.00 1.00 N ATOM 570 CA HIS A 38 -13.536 -5.452 1.857 1.00 1.00 C ATOM 571 C HIS A 38 -14.611 -4.573 2.497 1.00 1.00 C ATOM 572 O HIS A 38 -14.764 -4.528 3.702 1.00 1.00 O ATOM 573 CB HIS A 38 -12.252 -4.654 1.626 1.00 1.00 C ATOM 574 CG HIS A 38 -12.347 -3.332 2.336 1.00 1.00 C ATOM 575 ND1 HIS A 38 -13.301 -2.383 2.006 1.00 1.00 N ATOM 576 CD2 HIS A 38 -11.615 -2.787 3.361 1.00 1.00 C ATOM 577 CE1 HIS A 38 -13.119 -1.325 2.818 1.00 1.00 C ATOM 578 NE2 HIS A 38 -12.104 -1.520 3.664 1.00 1.00 N ATOM 0 H HIS A 38 -13.439 -5.497 -0.274 1.00 1.00 H new ATOM 0 HA HIS A 38 -13.361 -6.299 2.521 1.00 1.00 H new ATOM 0 HB2 HIS A 38 -11.392 -5.215 1.993 1.00 1.00 H new ATOM 0 HB3 HIS A 38 -12.097 -4.495 0.559 1.00 1.00 H new ATOM 0 HD2 HIS A 38 -10.785 -3.268 3.857 1.00 1.00 H new ATOM 0 HE1 HIS A 38 -13.720 -0.428 2.789 1.00 1.00 H new ATOM 0 HE2 HIS A 38 -11.761 -0.878 4.379 1.00 1.00 H new ATOM 586 N ILE A 39 -15.365 -3.884 1.686 1.00 1.00 N ATOM 587 CA ILE A 39 -16.447 -3.010 2.218 1.00 1.00 C ATOM 588 C ILE A 39 -17.750 -3.807 2.319 1.00 1.00 C ATOM 589 O ILE A 39 -18.371 -3.875 3.362 1.00 1.00 O ATOM 590 CB ILE A 39 -16.582 -1.890 1.187 1.00 1.00 C ATOM 591 CG1 ILE A 39 -15.668 -0.727 1.575 1.00 1.00 C ATOM 592 CG2 ILE A 39 -18.032 -1.406 1.142 1.00 1.00 C ATOM 593 CD1 ILE A 39 -14.508 -0.642 0.582 1.00 1.00 C ATOM 0 H ILE A 39 -15.277 -3.889 0.670 1.00 1.00 H new ATOM 0 HA ILE A 39 -16.228 -2.624 3.213 1.00 1.00 H new ATOM 0 HB ILE A 39 -16.296 -2.266 0.205 1.00 1.00 H new ATOM 0 HG12 ILE A 39 -16.230 0.207 1.576 1.00 1.00 H new ATOM 0 HG13 ILE A 39 -15.287 -0.871 2.586 1.00 1.00 H new ATOM 0 HG21 ILE A 39 -18.126 -0.607 0.406 1.00 1.00 H new ATOM 0 HG22 ILE A 39 -18.684 -2.234 0.864 1.00 1.00 H new ATOM 0 HG23 ILE A 39 -18.321 -1.031 2.124 1.00 1.00 H new ATOM 0 HD11 ILE A 39 -13.855 0.186 0.856 1.00 1.00 H new ATOM 0 HD12 ILE A 39 -13.942 -1.573 0.603 1.00 1.00 H new ATOM 0 HD13 ILE A 39 -14.900 -0.478 -0.422 1.00 1.00 H new ATOM 605 N LEU A 40 -18.163 -4.414 1.240 1.00 1.00 N ATOM 606 CA LEU A 40 -19.422 -5.212 1.264 1.00 1.00 C ATOM 607 C LEU A 40 -19.117 -6.667 1.634 1.00 1.00 C ATOM 608 O LEU A 40 -19.743 -7.242 2.503 1.00 1.00 O ATOM 609 CB LEU A 40 -19.974 -5.124 -0.159 1.00 1.00 C ATOM 610 CG LEU A 40 -21.394 -4.557 -0.123 1.00 1.00 C ATOM 611 CD1 LEU A 40 -21.348 -3.050 -0.382 1.00 1.00 C ATOM 612 CD2 LEU A 40 -22.240 -5.234 -1.203 1.00 1.00 C ATOM 0 H LEU A 40 -17.682 -4.392 0.341 1.00 1.00 H new ATOM 0 HA LEU A 40 -20.134 -4.840 2.000 1.00 1.00 H new ATOM 0 HB2 LEU A 40 -19.333 -4.489 -0.770 1.00 1.00 H new ATOM 0 HB3 LEU A 40 -19.977 -6.111 -0.621 1.00 1.00 H new ATOM 0 HG LEU A 40 -21.836 -4.744 0.856 1.00 1.00 H new ATOM 0 HD11 LEU A 40 -22.360 -2.645 -0.356 1.00 1.00 H new ATOM 0 HD12 LEU A 40 -20.745 -2.567 0.387 1.00 1.00 H new ATOM 0 HD13 LEU A 40 -20.907 -2.862 -1.361 1.00 1.00 H new ATOM 0 HD21 LEU A 40 -23.252 -4.831 -1.178 1.00 1.00 H new ATOM 0 HD22 LEU A 40 -21.798 -5.046 -2.182 1.00 1.00 H new ATOM 0 HD23 LEU A 40 -22.273 -6.308 -1.020 1.00 1.00 H new ATOM 624 N LYS A 41 -18.157 -7.266 0.982 1.00 1.00 N ATOM 625 CA LYS A 41 -17.811 -8.682 1.299 1.00 1.00 C ATOM 626 C LYS A 41 -17.234 -8.773 2.713 1.00 1.00 C ATOM 627 O LYS A 41 -17.302 -9.799 3.359 1.00 1.00 O ATOM 628 CB LYS A 41 -16.759 -9.077 0.263 1.00 1.00 C ATOM 629 CG LYS A 41 -16.605 -10.600 0.246 1.00 1.00 C ATOM 630 CD LYS A 41 -15.132 -10.967 0.435 1.00 1.00 C ATOM 631 CE LYS A 41 -15.030 -12.296 1.188 1.00 1.00 C ATOM 632 NZ LYS A 41 -14.008 -13.082 0.442 1.00 1.00 N ATOM 0 H LYS A 41 -17.598 -6.837 0.245 1.00 1.00 H new ATOM 0 HA LYS A 41 -18.679 -9.340 1.264 1.00 1.00 H new ATOM 0 HB2 LYS A 41 -17.053 -8.720 -0.724 1.00 1.00 H new ATOM 0 HB3 LYS A 41 -15.805 -8.607 0.501 1.00 1.00 H new ATOM 0 HG2 LYS A 41 -17.206 -11.046 1.039 1.00 1.00 H new ATOM 0 HG3 LYS A 41 -16.973 -11.003 -0.698 1.00 1.00 H new ATOM 0 HD2 LYS A 41 -14.639 -11.047 -0.534 1.00 1.00 H new ATOM 0 HD3 LYS A 41 -14.619 -10.182 0.990 1.00 1.00 H new ATOM 0 HE2 LYS A 41 -14.730 -12.141 2.224 1.00 1.00 H new ATOM 0 HE3 LYS A 41 -15.989 -12.813 1.208 1.00 1.00 H new ATOM 0 HZ1 LYS A 41 -13.881 -14.008 0.898 1.00 1.00 H new ATOM 0 HZ2 LYS A 41 -14.324 -13.219 -0.539 1.00 1.00 H new ATOM 0 HZ3 LYS A 41 -13.104 -12.568 0.446 1.00 1.00 H new ATOM 645 N ALA A 42 -16.674 -7.700 3.198 1.00 1.00 N ATOM 646 CA ALA A 42 -16.099 -7.716 4.572 1.00 1.00 C ATOM 647 C ALA A 42 -17.229 -7.787 5.601 1.00 1.00 C ATOM 648 O ALA A 42 -17.028 -8.173 6.737 1.00 1.00 O ATOM 649 CB ALA A 42 -15.335 -6.399 4.699 1.00 1.00 C ATOM 0 H ALA A 42 -16.590 -6.813 2.702 1.00 1.00 H new ATOM 0 HA ALA A 42 -15.450 -8.575 4.745 1.00 1.00 H new ATOM 0 HB1 ALA A 42 -14.881 -6.336 5.688 1.00 1.00 H new ATOM 0 HB2 ALA A 42 -14.556 -6.356 3.938 1.00 1.00 H new ATOM 0 HB3 ALA A 42 -16.023 -5.565 4.562 1.00 1.00 H new ATOM 655 N ALA A 43 -18.416 -7.412 5.211 1.00 1.00 N ATOM 656 CA ALA A 43 -19.562 -7.453 6.162 1.00 1.00 C ATOM 657 C ALA A 43 -20.702 -8.303 5.593 1.00 1.00 C ATOM 658 O ALA A 43 -21.711 -8.514 6.238 1.00 1.00 O ATOM 659 CB ALA A 43 -20.004 -5.997 6.309 1.00 1.00 C ATOM 0 H ALA A 43 -18.642 -7.079 4.274 1.00 1.00 H new ATOM 0 HA ALA A 43 -19.286 -7.898 7.118 1.00 1.00 H new ATOM 0 HB1 ALA A 43 -20.848 -5.941 6.996 1.00 1.00 H new ATOM 0 HB2 ALA A 43 -19.177 -5.404 6.700 1.00 1.00 H new ATOM 0 HB3 ALA A 43 -20.302 -5.607 5.336 1.00 1.00 H new ATOM 665 N ASN A 44 -20.557 -8.792 4.390 1.00 1.00 N ATOM 666 CA ASN A 44 -21.643 -9.624 3.793 1.00 1.00 C ATOM 667 C ASN A 44 -21.066 -10.908 3.191 1.00 1.00 C ATOM 668 O ASN A 44 -21.750 -11.646 2.511 1.00 1.00 O ATOM 669 CB ASN A 44 -22.255 -8.748 2.701 1.00 1.00 C ATOM 670 CG ASN A 44 -21.557 -9.027 1.369 1.00 1.00 C ATOM 671 OD1 ASN A 44 -21.578 -10.140 0.880 1.00 1.00 O ATOM 672 ND2 ASN A 44 -20.932 -8.058 0.759 1.00 1.00 N ATOM 0 H ASN A 44 -19.738 -8.653 3.798 1.00 1.00 H new ATOM 0 HA ASN A 44 -22.381 -9.930 4.535 1.00 1.00 H new ATOM 0 HB2 ASN A 44 -23.322 -8.951 2.613 1.00 1.00 H new ATOM 0 HB3 ASN A 44 -22.151 -7.695 2.964 1.00 1.00 H new ATOM 0 HD21 ASN A 44 -20.461 -8.234 -0.128 1.00 1.00 H new ATOM 0 HD22 ASN A 44 -20.915 -7.124 1.169 1.00 1.00 H new ATOM 679 N PHE A 45 -19.812 -11.182 3.432 1.00 1.00 N ATOM 680 CA PHE A 45 -19.200 -12.418 2.868 1.00 1.00 C ATOM 681 C PHE A 45 -19.405 -12.460 1.351 1.00 1.00 C ATOM 682 O PHE A 45 -20.350 -11.902 0.829 1.00 1.00 O ATOM 683 CB PHE A 45 -19.945 -13.572 3.540 1.00 1.00 C ATOM 684 CG PHE A 45 -19.559 -13.640 4.999 1.00 1.00 C ATOM 685 CD1 PHE A 45 -19.705 -12.511 5.815 1.00 1.00 C ATOM 686 CD2 PHE A 45 -19.055 -14.831 5.534 1.00 1.00 C ATOM 687 CE1 PHE A 45 -19.346 -12.575 7.167 1.00 1.00 C ATOM 688 CE2 PHE A 45 -18.696 -14.895 6.885 1.00 1.00 C ATOM 689 CZ PHE A 45 -18.842 -13.766 7.701 1.00 1.00 C ATOM 0 H PHE A 45 -19.187 -10.604 3.994 1.00 1.00 H new ATOM 0 HA PHE A 45 -18.126 -12.467 3.048 1.00 1.00 H new ATOM 0 HB2 PHE A 45 -21.021 -13.429 3.444 1.00 1.00 H new ATOM 0 HB3 PHE A 45 -19.703 -14.512 3.045 1.00 1.00 H new ATOM 0 HD1 PHE A 45 -20.094 -11.592 5.402 1.00 1.00 H new ATOM 0 HD2 PHE A 45 -18.943 -15.701 4.904 1.00 1.00 H new ATOM 0 HE1 PHE A 45 -19.458 -11.705 7.797 1.00 1.00 H new ATOM 0 HE2 PHE A 45 -18.307 -15.814 7.298 1.00 1.00 H new ATOM 0 HZ PHE A 45 -18.565 -13.815 8.744 1.00 1.00 H new ATOM 699 N ALA A 46 -18.527 -13.112 0.639 1.00 1.00 N ATOM 700 CA ALA A 46 -18.678 -13.179 -0.844 1.00 1.00 C ATOM 701 C ALA A 46 -19.433 -14.446 -1.249 1.00 1.00 C ATOM 702 O ALA A 46 -18.855 -15.495 -1.455 1.00 1.00 O ATOM 703 CB ALA A 46 -17.250 -13.205 -1.389 1.00 1.00 C ATOM 0 H ALA A 46 -17.715 -13.600 1.017 1.00 1.00 H new ATOM 0 HA ALA A 46 -19.248 -12.337 -1.236 1.00 1.00 H new ATOM 0 HB1 ALA A 46 -17.277 -13.254 -2.478 1.00 1.00 H new ATOM 0 HB2 ALA A 46 -16.726 -12.301 -1.080 1.00 1.00 H new ATOM 0 HB3 ALA A 46 -16.728 -14.079 -0.999 1.00 1.00 H new ATOM 709 N LYS A 47 -20.724 -14.343 -1.376 1.00 1.00 N ATOM 710 CA LYS A 47 -21.545 -15.517 -1.780 1.00 1.00 C ATOM 711 C LYS A 47 -22.546 -15.069 -2.843 1.00 1.00 C ATOM 712 O LYS A 47 -22.434 -13.987 -3.385 1.00 1.00 O ATOM 713 CB LYS A 47 -22.267 -15.962 -0.508 1.00 1.00 C ATOM 714 CG LYS A 47 -22.167 -17.482 -0.371 1.00 1.00 C ATOM 715 CD LYS A 47 -22.550 -17.893 1.052 1.00 1.00 C ATOM 716 CE LYS A 47 -22.787 -19.404 1.102 1.00 1.00 C ATOM 717 NZ LYS A 47 -24.107 -19.564 1.774 1.00 1.00 N ATOM 0 H LYS A 47 -21.252 -13.485 -1.215 1.00 1.00 H new ATOM 0 HA LYS A 47 -20.953 -16.330 -2.199 1.00 1.00 H new ATOM 0 HB2 LYS A 47 -21.825 -15.478 0.363 1.00 1.00 H new ATOM 0 HB3 LYS A 47 -23.313 -15.657 -0.545 1.00 1.00 H new ATOM 0 HG2 LYS A 47 -22.827 -17.967 -1.091 1.00 1.00 H new ATOM 0 HG3 LYS A 47 -21.153 -17.812 -0.596 1.00 1.00 H new ATOM 0 HD2 LYS A 47 -21.758 -17.615 1.747 1.00 1.00 H new ATOM 0 HD3 LYS A 47 -23.449 -17.363 1.365 1.00 1.00 H new ATOM 0 HE2 LYS A 47 -22.799 -19.835 0.101 1.00 1.00 H new ATOM 0 HE3 LYS A 47 -21.997 -19.909 1.658 1.00 1.00 H new ATOM 0 HZ1 LYS A 47 -24.340 -20.575 1.846 1.00 1.00 H new ATOM 0 HZ2 LYS A 47 -24.064 -19.150 2.727 1.00 1.00 H new ATOM 0 HZ3 LYS A 47 -24.840 -19.078 1.219 1.00 1.00 H new ATOM 730 N ALA A 48 -23.530 -15.868 -3.148 1.00 1.00 N ATOM 731 CA ALA A 48 -24.513 -15.431 -4.174 1.00 1.00 C ATOM 732 C ALA A 48 -25.015 -14.043 -3.789 1.00 1.00 C ATOM 733 O ALA A 48 -25.403 -13.252 -4.625 1.00 1.00 O ATOM 734 CB ALA A 48 -25.643 -16.458 -4.116 1.00 1.00 C ATOM 0 H ALA A 48 -23.694 -16.788 -2.739 1.00 1.00 H new ATOM 0 HA ALA A 48 -24.095 -15.373 -5.179 1.00 1.00 H new ATOM 0 HB1 ALA A 48 -26.408 -16.199 -4.848 1.00 1.00 H new ATOM 0 HB2 ALA A 48 -25.246 -17.448 -4.340 1.00 1.00 H new ATOM 0 HB3 ALA A 48 -26.082 -16.460 -3.118 1.00 1.00 H new ATOM 740 N LYS A 49 -24.973 -13.733 -2.523 1.00 1.00 N ATOM 741 CA LYS A 49 -25.404 -12.386 -2.069 1.00 1.00 C ATOM 742 C LYS A 49 -24.404 -11.342 -2.572 1.00 1.00 C ATOM 743 O LYS A 49 -24.773 -10.350 -3.168 1.00 1.00 O ATOM 744 CB LYS A 49 -25.391 -12.455 -0.542 1.00 1.00 C ATOM 745 CG LYS A 49 -26.829 -12.466 -0.019 1.00 1.00 C ATOM 746 CD LYS A 49 -27.130 -13.825 0.615 1.00 1.00 C ATOM 747 CE LYS A 49 -28.629 -13.930 0.909 1.00 1.00 C ATOM 748 NZ LYS A 49 -29.096 -12.521 1.030 1.00 1.00 N ATOM 0 H LYS A 49 -24.657 -14.359 -1.782 1.00 1.00 H new ATOM 0 HA LYS A 49 -26.388 -12.107 -2.446 1.00 1.00 H new ATOM 0 HB2 LYS A 49 -24.866 -13.352 -0.212 1.00 1.00 H new ATOM 0 HB3 LYS A 49 -24.851 -11.601 -0.133 1.00 1.00 H new ATOM 0 HG2 LYS A 49 -26.967 -11.672 0.715 1.00 1.00 H new ATOM 0 HG3 LYS A 49 -27.525 -12.271 -0.834 1.00 1.00 H new ATOM 0 HD2 LYS A 49 -26.823 -14.627 -0.056 1.00 1.00 H new ATOM 0 HD3 LYS A 49 -26.559 -13.943 1.536 1.00 1.00 H new ATOM 0 HE2 LYS A 49 -29.153 -14.452 0.108 1.00 1.00 H new ATOM 0 HE3 LYS A 49 -28.813 -14.487 1.827 1.00 1.00 H new ATOM 0 HZ1 LYS A 49 -30.050 -12.506 1.444 1.00 1.00 H new ATOM 0 HZ2 LYS A 49 -28.444 -11.991 1.643 1.00 1.00 H new ATOM 0 HZ3 LYS A 49 -29.120 -12.081 0.088 1.00 1.00 H new ATOM 761 N ARG A 50 -23.133 -11.566 -2.340 1.00 1.00 N ATOM 762 CA ARG A 50 -22.109 -10.591 -2.805 1.00 1.00 C ATOM 763 C ARG A 50 -22.164 -10.468 -4.328 1.00 1.00 C ATOM 764 O ARG A 50 -21.815 -9.449 -4.890 1.00 1.00 O ATOM 765 CB ARG A 50 -20.770 -11.178 -2.360 1.00 1.00 C ATOM 766 CG ARG A 50 -19.797 -11.184 -3.541 1.00 1.00 C ATOM 767 CD ARG A 50 -18.869 -9.972 -3.447 1.00 1.00 C ATOM 768 NE ARG A 50 -17.495 -10.543 -3.392 1.00 1.00 N ATOM 769 CZ ARG A 50 -17.113 -11.409 -4.290 1.00 1.00 C ATOM 770 NH1 ARG A 50 -17.935 -11.775 -5.235 1.00 1.00 N ATOM 771 NH2 ARG A 50 -15.909 -11.910 -4.243 1.00 1.00 N ATOM 0 H ARG A 50 -22.765 -12.381 -1.849 1.00 1.00 H new ATOM 0 HA ARG A 50 -22.267 -9.593 -2.396 1.00 1.00 H new ATOM 0 HB2 ARG A 50 -20.358 -10.591 -1.539 1.00 1.00 H new ATOM 0 HB3 ARG A 50 -20.912 -12.192 -1.987 1.00 1.00 H new ATOM 0 HG2 ARG A 50 -19.212 -12.104 -3.539 1.00 1.00 H new ATOM 0 HG3 ARG A 50 -20.349 -11.160 -4.480 1.00 1.00 H new ATOM 0 HD2 ARG A 50 -18.989 -9.315 -4.308 1.00 1.00 H new ATOM 0 HD3 ARG A 50 -19.085 -9.377 -2.560 1.00 1.00 H new ATOM 0 HE ARG A 50 -16.853 -10.257 -2.653 1.00 1.00 H new ATOM 0 HH11 ARG A 50 -18.876 -11.384 -5.272 1.00 1.00 H new ATOM 0 HH12 ARG A 50 -17.636 -12.452 -5.937 1.00 1.00 H new ATOM 0 HH21 ARG A 50 -15.266 -11.625 -3.504 1.00 1.00 H new ATOM 0 HH22 ARG A 50 -15.611 -12.587 -4.945 1.00 1.00 H new ATOM 784 N THR A 51 -22.616 -11.493 -5.000 1.00 1.00 N ATOM 785 CA THR A 51 -22.708 -11.423 -6.484 1.00 1.00 C ATOM 786 C THR A 51 -23.793 -10.423 -6.875 1.00 1.00 C ATOM 787 O THR A 51 -23.667 -9.695 -7.840 1.00 1.00 O ATOM 788 CB THR A 51 -23.090 -12.836 -6.928 1.00 1.00 C ATOM 789 OG1 THR A 51 -22.154 -13.766 -6.401 1.00 1.00 O ATOM 790 CG2 THR A 51 -23.083 -12.913 -8.456 1.00 1.00 C ATOM 0 H THR A 51 -22.924 -12.373 -4.585 1.00 1.00 H new ATOM 0 HA THR A 51 -21.778 -11.096 -6.950 1.00 1.00 H new ATOM 0 HB THR A 51 -24.087 -13.075 -6.559 1.00 1.00 H new ATOM 0 HG1 THR A 51 -22.362 -13.941 -5.460 1.00 1.00 H new ATOM 0 HG21 THR A 51 -23.355 -13.920 -8.771 1.00 1.00 H new ATOM 0 HG22 THR A 51 -23.802 -12.200 -8.860 1.00 1.00 H new ATOM 0 HG23 THR A 51 -22.087 -12.674 -8.828 1.00 1.00 H new ATOM 798 N ARG A 52 -24.855 -10.373 -6.120 1.00 1.00 N ATOM 799 CA ARG A 52 -25.948 -9.409 -6.430 1.00 1.00 C ATOM 800 C ARG A 52 -25.698 -8.101 -5.678 1.00 1.00 C ATOM 801 O ARG A 52 -25.396 -7.082 -6.267 1.00 1.00 O ATOM 802 CB ARG A 52 -27.227 -10.084 -5.931 1.00 1.00 C ATOM 803 CG ARG A 52 -28.445 -9.326 -6.463 1.00 1.00 C ATOM 804 CD ARG A 52 -29.011 -10.060 -7.681 1.00 1.00 C ATOM 805 NE ARG A 52 -30.322 -10.603 -7.227 1.00 1.00 N ATOM 806 CZ ARG A 52 -30.659 -11.828 -7.523 1.00 1.00 C ATOM 807 NH1 ARG A 52 -29.847 -12.579 -8.217 1.00 1.00 N ATOM 808 NH2 ARG A 52 -31.807 -12.304 -7.126 1.00 1.00 N ATOM 0 H ARG A 52 -25.014 -10.959 -5.300 1.00 1.00 H new ATOM 0 HA ARG A 52 -26.011 -9.168 -7.491 1.00 1.00 H new ATOM 0 HB2 ARG A 52 -27.257 -11.121 -6.264 1.00 1.00 H new ATOM 0 HB3 ARG A 52 -27.242 -10.098 -4.841 1.00 1.00 H new ATOM 0 HG2 ARG A 52 -29.206 -9.248 -5.686 1.00 1.00 H new ATOM 0 HG3 ARG A 52 -28.163 -8.309 -6.736 1.00 1.00 H new ATOM 0 HD2 ARG A 52 -29.135 -9.384 -8.527 1.00 1.00 H new ATOM 0 HD3 ARG A 52 -28.344 -10.858 -8.006 1.00 1.00 H new ATOM 0 HE ARG A 52 -30.956 -10.017 -6.685 1.00 1.00 H new ATOM 0 HH11 ARG A 52 -28.949 -12.208 -8.528 1.00 1.00 H new ATOM 0 HH12 ARG A 52 -30.111 -13.537 -8.448 1.00 1.00 H new ATOM 0 HH21 ARG A 52 -32.442 -11.718 -6.584 1.00 1.00 H new ATOM 0 HH22 ARG A 52 -32.070 -13.262 -7.358 1.00 1.00 H new ATOM 821 N ILE A 53 -25.817 -8.126 -4.380 1.00 1.00 N ATOM 822 CA ILE A 53 -25.580 -6.887 -3.587 1.00 1.00 C ATOM 823 C ILE A 53 -24.293 -6.205 -4.060 1.00 1.00 C ATOM 824 O ILE A 53 -24.245 -5.004 -4.237 1.00 1.00 O ATOM 825 CB ILE A 53 -25.436 -7.362 -2.142 1.00 1.00 C ATOM 826 CG1 ILE A 53 -26.806 -7.342 -1.461 1.00 1.00 C ATOM 827 CG2 ILE A 53 -24.481 -6.433 -1.391 1.00 1.00 C ATOM 828 CD1 ILE A 53 -26.704 -8.006 -0.087 1.00 1.00 C ATOM 0 H ILE A 53 -26.068 -8.950 -3.834 1.00 1.00 H new ATOM 0 HA ILE A 53 -26.387 -6.162 -3.696 1.00 1.00 H new ATOM 0 HB ILE A 53 -25.038 -8.377 -2.132 1.00 1.00 H new ATOM 0 HG12 ILE A 53 -27.156 -6.315 -1.355 1.00 1.00 H new ATOM 0 HG13 ILE A 53 -27.537 -7.866 -2.076 1.00 1.00 H new ATOM 0 HG21 ILE A 53 -24.379 -6.772 -0.360 1.00 1.00 H new ATOM 0 HG22 ILE A 53 -23.505 -6.446 -1.876 1.00 1.00 H new ATOM 0 HG23 ILE A 53 -24.878 -5.418 -1.401 1.00 1.00 H new ATOM 0 HD11 ILE A 53 -27.680 -7.991 0.398 1.00 1.00 H new ATOM 0 HD12 ILE A 53 -26.373 -9.038 -0.205 1.00 1.00 H new ATOM 0 HD13 ILE A 53 -25.986 -7.463 0.527 1.00 1.00 H new ATOM 840 N LEU A 54 -23.255 -6.965 -4.289 1.00 1.00 N ATOM 841 CA LEU A 54 -21.986 -6.355 -4.775 1.00 1.00 C ATOM 842 C LEU A 54 -22.187 -5.834 -6.201 1.00 1.00 C ATOM 843 O LEU A 54 -22.011 -4.665 -6.483 1.00 1.00 O ATOM 844 CB LEU A 54 -20.963 -7.490 -4.754 1.00 1.00 C ATOM 845 CG LEU A 54 -19.550 -6.906 -4.762 1.00 1.00 C ATOM 846 CD1 LEU A 54 -18.759 -7.465 -3.579 1.00 1.00 C ATOM 847 CD2 LEU A 54 -18.849 -7.285 -6.069 1.00 1.00 C ATOM 0 H LEU A 54 -23.232 -7.977 -4.161 1.00 1.00 H new ATOM 0 HA LEU A 54 -21.661 -5.514 -4.163 1.00 1.00 H new ATOM 0 HB2 LEU A 54 -21.107 -8.107 -3.867 1.00 1.00 H new ATOM 0 HB3 LEU A 54 -21.105 -8.137 -5.619 1.00 1.00 H new ATOM 0 HG LEU A 54 -19.606 -5.820 -4.680 1.00 1.00 H new ATOM 0 HD11 LEU A 54 -17.752 -7.048 -3.585 1.00 1.00 H new ATOM 0 HD12 LEU A 54 -19.257 -7.195 -2.648 1.00 1.00 H new ATOM 0 HD13 LEU A 54 -18.703 -8.551 -3.659 1.00 1.00 H new ATOM 0 HD21 LEU A 54 -17.842 -6.869 -6.075 1.00 1.00 H new ATOM 0 HD22 LEU A 54 -18.794 -8.371 -6.151 1.00 1.00 H new ATOM 0 HD23 LEU A 54 -19.412 -6.886 -6.913 1.00 1.00 H new ATOM 859 N GLU A 55 -22.557 -6.707 -7.098 1.00 1.00 N ATOM 860 CA GLU A 55 -22.777 -6.286 -8.511 1.00 1.00 C ATOM 861 C GLU A 55 -23.856 -5.203 -8.578 1.00 1.00 C ATOM 862 O GLU A 55 -23.700 -4.198 -9.242 1.00 1.00 O ATOM 863 CB GLU A 55 -23.243 -7.552 -9.232 1.00 1.00 C ATOM 864 CG GLU A 55 -22.133 -8.049 -10.162 1.00 1.00 C ATOM 865 CD GLU A 55 -22.671 -9.184 -11.036 1.00 1.00 C ATOM 866 OE1 GLU A 55 -23.801 -9.588 -10.819 1.00 1.00 O ATOM 867 OE2 GLU A 55 -21.943 -9.628 -11.908 1.00 1.00 O ATOM 0 H GLU A 55 -22.717 -7.697 -6.912 1.00 1.00 H new ATOM 0 HA GLU A 55 -21.878 -5.866 -8.962 1.00 1.00 H new ATOM 0 HB2 GLU A 55 -23.496 -8.324 -8.506 1.00 1.00 H new ATOM 0 HB3 GLU A 55 -24.147 -7.345 -9.805 1.00 1.00 H new ATOM 0 HG2 GLU A 55 -21.775 -7.232 -10.788 1.00 1.00 H new ATOM 0 HG3 GLU A 55 -21.282 -8.398 -9.577 1.00 1.00 H new ATOM 874 N LYS A 56 -24.948 -5.397 -7.892 1.00 1.00 N ATOM 875 CA LYS A 56 -26.034 -4.374 -7.915 1.00 1.00 C ATOM 876 C LYS A 56 -25.608 -3.138 -7.123 1.00 1.00 C ATOM 877 O LYS A 56 -26.054 -2.038 -7.381 1.00 1.00 O ATOM 878 CB LYS A 56 -27.233 -5.052 -7.252 1.00 1.00 C ATOM 879 CG LYS A 56 -28.508 -4.275 -7.585 1.00 1.00 C ATOM 880 CD LYS A 56 -28.622 -4.104 -9.101 1.00 1.00 C ATOM 881 CE LYS A 56 -29.903 -3.339 -9.436 1.00 1.00 C ATOM 882 NZ LYS A 56 -30.985 -4.072 -8.721 1.00 1.00 N ATOM 0 H LYS A 56 -25.136 -6.218 -7.317 1.00 1.00 H new ATOM 0 HA LYS A 56 -26.266 -4.039 -8.926 1.00 1.00 H new ATOM 0 HB2 LYS A 56 -27.320 -6.081 -7.600 1.00 1.00 H new ATOM 0 HB3 LYS A 56 -27.090 -5.092 -6.172 1.00 1.00 H new ATOM 0 HG2 LYS A 56 -29.380 -4.805 -7.202 1.00 1.00 H new ATOM 0 HG3 LYS A 56 -28.489 -3.300 -7.099 1.00 1.00 H new ATOM 0 HD2 LYS A 56 -27.755 -3.566 -9.483 1.00 1.00 H new ATOM 0 HD3 LYS A 56 -28.631 -5.079 -9.587 1.00 1.00 H new ATOM 0 HE2 LYS A 56 -29.842 -2.302 -9.105 1.00 1.00 H new ATOM 0 HE3 LYS A 56 -30.082 -3.320 -10.511 1.00 1.00 H new ATOM 0 HZ1 LYS A 56 -31.880 -3.963 -9.240 1.00 1.00 H new ATOM 0 HZ2 LYS A 56 -30.740 -5.081 -8.662 1.00 1.00 H new ATOM 0 HZ3 LYS A 56 -31.091 -3.685 -7.762 1.00 1.00 H new ATOM 895 N GLU A 57 -24.744 -3.310 -6.160 1.00 1.00 N ATOM 896 CA GLU A 57 -24.287 -2.144 -5.354 1.00 1.00 C ATOM 897 C GLU A 57 -23.020 -1.544 -5.970 1.00 1.00 C ATOM 898 O GLU A 57 -22.865 -0.341 -6.046 1.00 1.00 O ATOM 899 CB GLU A 57 -23.991 -2.713 -3.966 1.00 1.00 C ATOM 900 CG GLU A 57 -23.724 -1.565 -2.989 1.00 1.00 C ATOM 901 CD GLU A 57 -24.888 -0.574 -3.034 1.00 1.00 C ATOM 902 OE1 GLU A 57 -25.843 -0.844 -3.744 1.00 1.00 O ATOM 903 OE2 GLU A 57 -24.805 0.438 -2.360 1.00 1.00 O ATOM 0 H GLU A 57 -24.336 -4.207 -5.897 1.00 1.00 H new ATOM 0 HA GLU A 57 -25.031 -1.349 -5.317 1.00 1.00 H new ATOM 0 HB2 GLU A 57 -24.834 -3.311 -3.619 1.00 1.00 H new ATOM 0 HB3 GLU A 57 -23.127 -3.376 -4.010 1.00 1.00 H new ATOM 0 HG2 GLU A 57 -23.603 -1.955 -1.978 1.00 1.00 H new ATOM 0 HG3 GLU A 57 -22.793 -1.061 -3.250 1.00 1.00 H new ATOM 910 N VAL A 58 -22.113 -2.374 -6.409 1.00 1.00 N ATOM 911 CA VAL A 58 -20.857 -1.848 -7.017 1.00 1.00 C ATOM 912 C VAL A 58 -20.882 -2.028 -8.539 1.00 1.00 C ATOM 913 O VAL A 58 -20.472 -1.157 -9.280 1.00 1.00 O ATOM 914 CB VAL A 58 -19.737 -2.683 -6.397 1.00 1.00 C ATOM 915 CG1 VAL A 58 -18.917 -1.812 -5.445 1.00 1.00 C ATOM 916 CG2 VAL A 58 -20.345 -3.854 -5.620 1.00 1.00 C ATOM 0 H VAL A 58 -22.187 -3.391 -6.373 1.00 1.00 H new ATOM 0 HA VAL A 58 -20.725 -0.783 -6.829 1.00 1.00 H new ATOM 0 HB VAL A 58 -19.090 -3.066 -7.186 1.00 1.00 H new ATOM 0 HG11 VAL A 58 -18.118 -2.408 -5.003 1.00 1.00 H new ATOM 0 HG12 VAL A 58 -18.484 -0.978 -5.997 1.00 1.00 H new ATOM 0 HG13 VAL A 58 -19.563 -1.428 -4.655 1.00 1.00 H new ATOM 0 HG21 VAL A 58 -19.547 -4.450 -5.177 1.00 1.00 H new ATOM 0 HG22 VAL A 58 -20.992 -3.470 -4.831 1.00 1.00 H new ATOM 0 HG23 VAL A 58 -20.929 -4.476 -6.298 1.00 1.00 H new ATOM 926 N LEU A 59 -21.354 -3.151 -9.012 1.00 1.00 N ATOM 927 CA LEU A 59 -21.393 -3.373 -10.487 1.00 1.00 C ATOM 928 C LEU A 59 -21.645 -2.047 -11.206 1.00 1.00 C ATOM 929 O LEU A 59 -20.982 -1.715 -12.169 1.00 1.00 O ATOM 930 CB LEU A 59 -22.556 -4.339 -10.717 1.00 1.00 C ATOM 931 CG LEU A 59 -22.378 -5.040 -12.064 1.00 1.00 C ATOM 932 CD1 LEU A 59 -23.228 -6.312 -12.094 1.00 1.00 C ATOM 933 CD2 LEU A 59 -22.822 -4.103 -13.189 1.00 1.00 C ATOM 0 H LEU A 59 -21.712 -3.920 -8.445 1.00 1.00 H new ATOM 0 HA LEU A 59 -20.455 -3.774 -10.871 1.00 1.00 H new ATOM 0 HB2 LEU A 59 -22.595 -5.075 -9.914 1.00 1.00 H new ATOM 0 HB3 LEU A 59 -23.502 -3.797 -10.699 1.00 1.00 H new ATOM 0 HG LEU A 59 -21.329 -5.301 -12.202 1.00 1.00 H new ATOM 0 HD11 LEU A 59 -23.101 -6.812 -13.054 1.00 1.00 H new ATOM 0 HD12 LEU A 59 -22.912 -6.980 -11.293 1.00 1.00 H new ATOM 0 HD13 LEU A 59 -24.277 -6.052 -11.956 1.00 1.00 H new ATOM 0 HD21 LEU A 59 -22.695 -4.602 -14.150 1.00 1.00 H new ATOM 0 HD22 LEU A 59 -23.871 -3.841 -13.052 1.00 1.00 H new ATOM 0 HD23 LEU A 59 -22.216 -3.197 -13.168 1.00 1.00 H new ATOM 945 N LYS A 60 -22.591 -1.279 -10.738 1.00 1.00 N ATOM 946 CA LYS A 60 -22.876 0.031 -11.387 1.00 1.00 C ATOM 947 C LYS A 60 -22.031 1.123 -10.728 1.00 1.00 C ATOM 948 O LYS A 60 -21.674 2.107 -11.346 1.00 1.00 O ATOM 949 CB LYS A 60 -24.364 0.281 -11.143 1.00 1.00 C ATOM 950 CG LYS A 60 -24.548 1.637 -10.459 1.00 1.00 C ATOM 951 CD LYS A 60 -24.284 1.491 -8.958 1.00 1.00 C ATOM 952 CE LYS A 60 -25.580 1.743 -8.185 1.00 1.00 C ATOM 953 NZ LYS A 60 -26.669 1.336 -9.118 1.00 1.00 N ATOM 0 H LYS A 60 -23.178 -1.503 -9.935 1.00 1.00 H new ATOM 0 HA LYS A 60 -22.638 0.033 -12.451 1.00 1.00 H new ATOM 0 HB2 LYS A 60 -24.907 0.262 -12.088 1.00 1.00 H new ATOM 0 HB3 LYS A 60 -24.780 -0.512 -10.521 1.00 1.00 H new ATOM 0 HG2 LYS A 60 -23.865 2.369 -10.890 1.00 1.00 H new ATOM 0 HG3 LYS A 60 -25.559 2.007 -10.627 1.00 1.00 H new ATOM 0 HD2 LYS A 60 -23.906 0.492 -8.740 1.00 1.00 H new ATOM 0 HD3 LYS A 60 -23.517 2.198 -8.642 1.00 1.00 H new ATOM 0 HE2 LYS A 60 -25.610 1.160 -7.264 1.00 1.00 H new ATOM 0 HE3 LYS A 60 -25.674 2.791 -7.902 1.00 1.00 H new ATOM 0 HZ1 LYS A 60 -27.514 1.072 -8.572 1.00 1.00 H new ATOM 0 HZ2 LYS A 60 -26.900 2.129 -9.750 1.00 1.00 H new ATOM 0 HZ3 LYS A 60 -26.355 0.522 -9.685 1.00 1.00 H new ATOM 966 N GLU A 61 -21.706 0.952 -9.476 1.00 1.00 N ATOM 967 CA GLU A 61 -20.881 1.972 -8.770 1.00 1.00 C ATOM 968 C GLU A 61 -19.426 1.888 -9.239 1.00 1.00 C ATOM 969 O GLU A 61 -18.963 2.706 -10.010 1.00 1.00 O ATOM 970 CB GLU A 61 -20.987 1.612 -7.287 1.00 1.00 C ATOM 971 CG GLU A 61 -21.446 2.837 -6.494 1.00 1.00 C ATOM 972 CD GLU A 61 -20.228 3.678 -6.106 1.00 1.00 C ATOM 973 OE1 GLU A 61 -19.634 3.387 -5.082 1.00 1.00 O ATOM 974 OE2 GLU A 61 -19.912 4.600 -6.839 1.00 1.00 O ATOM 0 H GLU A 61 -21.977 0.148 -8.910 1.00 1.00 H new ATOM 0 HA GLU A 61 -21.222 2.988 -8.967 1.00 1.00 H new ATOM 0 HB2 GLU A 61 -21.693 0.793 -7.151 1.00 1.00 H new ATOM 0 HB3 GLU A 61 -20.022 1.267 -6.916 1.00 1.00 H new ATOM 0 HG2 GLU A 61 -22.137 3.432 -7.091 1.00 1.00 H new ATOM 0 HG3 GLU A 61 -21.985 2.524 -5.600 1.00 1.00 H new ATOM 981 N THR A 62 -18.703 0.904 -8.782 1.00 1.00 N ATOM 982 CA THR A 62 -17.279 0.764 -9.202 1.00 1.00 C ATOM 983 C THR A 62 -16.833 -0.695 -9.067 1.00 1.00 C ATOM 984 O THR A 62 -15.656 -0.995 -9.048 1.00 1.00 O ATOM 985 CB THR A 62 -16.492 1.658 -8.244 1.00 1.00 C ATOM 986 OG1 THR A 62 -17.318 2.734 -7.818 1.00 1.00 O ATOM 987 CG2 THR A 62 -15.258 2.211 -8.957 1.00 1.00 C ATOM 0 H THR A 62 -19.036 0.189 -8.135 1.00 1.00 H new ATOM 0 HA THR A 62 -17.124 1.050 -10.242 1.00 1.00 H new ATOM 0 HB THR A 62 -16.177 1.076 -7.378 1.00 1.00 H new ATOM 0 HG1 THR A 62 -17.339 3.425 -8.512 1.00 1.00 H new ATOM 0 HG21 THR A 62 -14.698 2.848 -8.273 1.00 1.00 H new ATOM 0 HG22 THR A 62 -14.626 1.385 -9.284 1.00 1.00 H new ATOM 0 HG23 THR A 62 -15.569 2.794 -9.824 1.00 1.00 H new ATOM 995 N HIS A 63 -17.766 -1.602 -8.971 1.00 1.00 N ATOM 996 CA HIS A 63 -17.397 -3.041 -8.836 1.00 1.00 C ATOM 997 C HIS A 63 -16.651 -3.516 -10.085 1.00 1.00 C ATOM 998 O HIS A 63 -17.190 -3.532 -11.173 1.00 1.00 O ATOM 999 CB HIS A 63 -18.727 -3.781 -8.692 1.00 1.00 C ATOM 1000 CG HIS A 63 -18.888 -4.751 -9.829 1.00 1.00 C ATOM 1001 ND1 HIS A 63 -19.033 -6.115 -9.623 1.00 1.00 N ATOM 1002 CD2 HIS A 63 -18.928 -4.572 -11.190 1.00 1.00 C ATOM 1003 CE1 HIS A 63 -19.153 -6.697 -10.830 1.00 1.00 C ATOM 1004 NE2 HIS A 63 -19.096 -5.802 -11.820 1.00 1.00 N ATOM 0 H HIS A 63 -18.768 -1.410 -8.980 1.00 1.00 H new ATOM 0 HA HIS A 63 -16.738 -3.219 -7.986 1.00 1.00 H new ATOM 0 HB2 HIS A 63 -18.759 -4.312 -7.740 1.00 1.00 H new ATOM 0 HB3 HIS A 63 -19.553 -3.069 -8.688 1.00 1.00 H new ATOM 0 HD2 HIS A 63 -18.842 -3.621 -11.695 1.00 1.00 H new ATOM 0 HE1 HIS A 63 -19.280 -7.759 -10.980 1.00 1.00 H new ATOM 0 HE2 HIS A 63 -19.161 -5.981 -12.822 1.00 1.00 H new ATOM 1012 N GLU A 64 -15.413 -3.905 -9.937 1.00 1.00 N ATOM 1013 CA GLU A 64 -14.633 -4.379 -11.116 1.00 1.00 C ATOM 1014 C GLU A 64 -13.901 -5.680 -10.777 1.00 1.00 C ATOM 1015 O GLU A 64 -13.482 -5.892 -9.657 1.00 1.00 O ATOM 1016 CB GLU A 64 -13.631 -3.261 -11.405 1.00 1.00 C ATOM 1017 CG GLU A 64 -14.158 -2.383 -12.541 1.00 1.00 C ATOM 1018 CD GLU A 64 -13.546 -0.984 -12.431 1.00 1.00 C ATOM 1019 OE1 GLU A 64 -12.359 -0.899 -12.163 1.00 1.00 O ATOM 1020 OE2 GLU A 64 -14.275 -0.024 -12.618 1.00 1.00 O ATOM 0 H GLU A 64 -14.908 -3.915 -9.051 1.00 1.00 H new ATOM 0 HA GLU A 64 -15.270 -4.587 -11.975 1.00 1.00 H new ATOM 0 HB2 GLU A 64 -13.473 -2.660 -10.510 1.00 1.00 H new ATOM 0 HB3 GLU A 64 -12.665 -3.686 -11.678 1.00 1.00 H new ATOM 0 HG2 GLU A 64 -13.907 -2.827 -13.504 1.00 1.00 H new ATOM 0 HG3 GLU A 64 -15.245 -2.321 -12.493 1.00 1.00 H new ATOM 1027 N LYS A 65 -13.743 -6.552 -11.734 1.00 1.00 N ATOM 1028 CA LYS A 65 -13.037 -7.836 -11.462 1.00 1.00 C ATOM 1029 C LYS A 65 -11.560 -7.719 -11.848 1.00 1.00 C ATOM 1030 O LYS A 65 -11.225 -7.423 -12.978 1.00 1.00 O ATOM 1031 CB LYS A 65 -13.741 -8.869 -12.344 1.00 1.00 C ATOM 1032 CG LYS A 65 -14.902 -9.496 -11.571 1.00 1.00 C ATOM 1033 CD LYS A 65 -15.732 -8.391 -10.912 1.00 1.00 C ATOM 1034 CE LYS A 65 -16.417 -8.944 -9.661 1.00 1.00 C ATOM 1035 NZ LYS A 65 -16.661 -10.383 -9.959 1.00 1.00 N ATOM 0 H LYS A 65 -14.072 -6.431 -12.692 1.00 1.00 H new ATOM 0 HA LYS A 65 -13.069 -8.110 -10.408 1.00 1.00 H new ATOM 0 HB2 LYS A 65 -14.110 -8.395 -13.253 1.00 1.00 H new ATOM 0 HB3 LYS A 65 -13.036 -9.641 -12.651 1.00 1.00 H new ATOM 0 HG2 LYS A 65 -15.527 -10.082 -12.245 1.00 1.00 H new ATOM 0 HG3 LYS A 65 -14.521 -10.180 -10.813 1.00 1.00 H new ATOM 0 HD2 LYS A 65 -15.092 -7.550 -10.647 1.00 1.00 H new ATOM 0 HD3 LYS A 65 -16.478 -8.015 -11.612 1.00 1.00 H new ATOM 0 HE2 LYS A 65 -15.786 -8.825 -8.780 1.00 1.00 H new ATOM 0 HE3 LYS A 65 -17.350 -8.419 -9.458 1.00 1.00 H new ATOM 0 HZ1 LYS A 65 -17.450 -10.729 -9.376 1.00 1.00 H new ATOM 0 HZ2 LYS A 65 -16.899 -10.494 -10.965 1.00 1.00 H new ATOM 0 HZ3 LYS A 65 -15.804 -10.932 -9.744 1.00 1.00 H new ATOM 1048 N VAL A 66 -10.672 -7.947 -10.919 1.00 1.00 N ATOM 1049 CA VAL A 66 -9.219 -7.848 -11.236 1.00 1.00 C ATOM 1050 C VAL A 66 -8.689 -9.200 -11.722 1.00 1.00 C ATOM 1051 O VAL A 66 -8.828 -10.207 -11.056 1.00 1.00 O ATOM 1052 CB VAL A 66 -8.550 -7.452 -9.919 1.00 1.00 C ATOM 1053 CG1 VAL A 66 -8.601 -5.933 -9.756 1.00 1.00 C ATOM 1054 CG2 VAL A 66 -9.289 -8.114 -8.754 1.00 1.00 C ATOM 0 H VAL A 66 -10.890 -8.197 -9.955 1.00 1.00 H new ATOM 0 HA VAL A 66 -9.019 -7.126 -12.027 1.00 1.00 H new ATOM 0 HB VAL A 66 -7.511 -7.781 -9.926 1.00 1.00 H new ATOM 0 HG11 VAL A 66 -8.124 -5.652 -8.817 1.00 1.00 H new ATOM 0 HG12 VAL A 66 -8.076 -5.460 -10.586 1.00 1.00 H new ATOM 0 HG13 VAL A 66 -9.640 -5.603 -9.749 1.00 1.00 H new ATOM 0 HG21 VAL A 66 -8.813 -7.833 -7.814 1.00 1.00 H new ATOM 0 HG22 VAL A 66 -10.328 -7.784 -8.748 1.00 1.00 H new ATOM 0 HG23 VAL A 66 -9.253 -9.197 -8.869 1.00 1.00 H new ATOM 1064 N GLN A 67 -8.085 -9.230 -12.878 1.00 1.00 N ATOM 1065 CA GLN A 67 -7.549 -10.519 -13.406 1.00 1.00 C ATOM 1066 C GLN A 67 -6.181 -10.295 -14.057 1.00 1.00 C ATOM 1067 O GLN A 67 -5.853 -9.202 -14.474 1.00 1.00 O ATOM 1068 CB GLN A 67 -8.570 -10.976 -14.448 1.00 1.00 C ATOM 1069 CG GLN A 67 -9.006 -9.779 -15.295 1.00 1.00 C ATOM 1070 CD GLN A 67 -10.455 -9.418 -14.962 1.00 1.00 C ATOM 1071 OE1 GLN A 67 -11.248 -9.161 -15.846 1.00 1.00 O ATOM 1072 NE2 GLN A 67 -10.837 -9.387 -13.715 1.00 1.00 N ATOM 0 H GLN A 67 -7.939 -8.420 -13.480 1.00 1.00 H new ATOM 0 HA GLN A 67 -7.409 -11.261 -12.620 1.00 1.00 H new ATOM 0 HB2 GLN A 67 -8.135 -11.747 -15.085 1.00 1.00 H new ATOM 0 HB3 GLN A 67 -9.435 -11.420 -13.955 1.00 1.00 H new ATOM 0 HG2 GLN A 67 -8.354 -8.927 -15.102 1.00 1.00 H new ATOM 0 HG3 GLN A 67 -8.914 -10.017 -16.355 1.00 1.00 H new ATOM 0 HE21 GLN A 67 -10.172 -9.603 -12.972 1.00 1.00 H new ATOM 0 HE22 GLN A 67 -11.801 -9.147 -13.483 1.00 1.00 H new ATOM 1081 N GLY A 68 -5.381 -11.323 -14.148 1.00 1.00 N ATOM 1082 CA GLY A 68 -4.036 -11.167 -14.771 1.00 1.00 C ATOM 1083 C GLY A 68 -3.007 -10.827 -13.693 1.00 1.00 C ATOM 1084 O GLY A 68 -1.818 -10.797 -13.942 1.00 1.00 O ATOM 0 H GLY A 68 -5.601 -12.263 -13.818 1.00 1.00 H new ATOM 0 HA2 GLY A 68 -3.752 -12.087 -15.282 1.00 1.00 H new ATOM 0 HA3 GLY A 68 -4.062 -10.379 -15.524 1.00 1.00 H new ATOM 1088 N GLY A 69 -3.454 -10.570 -12.493 1.00 1.00 N ATOM 1089 CA GLY A 69 -2.499 -10.233 -11.399 1.00 1.00 C ATOM 1090 C GLY A 69 -2.489 -8.719 -11.176 1.00 1.00 C ATOM 1091 O GLY A 69 -1.693 -8.199 -10.419 1.00 1.00 O ATOM 0 H GLY A 69 -4.438 -10.579 -12.224 1.00 1.00 H new ATOM 0 HA2 GLY A 69 -2.787 -10.744 -10.480 1.00 1.00 H new ATOM 0 HA3 GLY A 69 -1.498 -10.580 -11.656 1.00 1.00 H new ATOM 1095 N PHE A 70 -3.372 -8.008 -11.824 1.00 1.00 N ATOM 1096 CA PHE A 70 -3.414 -6.529 -11.646 1.00 1.00 C ATOM 1097 C PHE A 70 -4.585 -6.142 -10.737 1.00 1.00 C ATOM 1098 O PHE A 70 -5.685 -5.906 -11.194 1.00 1.00 O ATOM 1099 CB PHE A 70 -3.619 -5.966 -13.052 1.00 1.00 C ATOM 1100 CG PHE A 70 -2.376 -6.203 -13.876 1.00 1.00 C ATOM 1101 CD1 PHE A 70 -1.135 -6.350 -13.244 1.00 1.00 C ATOM 1102 CD2 PHE A 70 -2.463 -6.276 -15.271 1.00 1.00 C ATOM 1103 CE1 PHE A 70 0.018 -6.570 -14.007 1.00 1.00 C ATOM 1104 CE2 PHE A 70 -1.311 -6.496 -16.035 1.00 1.00 C ATOM 1105 CZ PHE A 70 -0.070 -6.643 -15.402 1.00 1.00 C ATOM 0 H PHE A 70 -4.066 -8.388 -12.468 1.00 1.00 H new ATOM 0 HA PHE A 70 -2.507 -6.142 -11.181 1.00 1.00 H new ATOM 0 HB2 PHE A 70 -4.478 -6.443 -13.524 1.00 1.00 H new ATOM 0 HB3 PHE A 70 -3.836 -4.899 -13.000 1.00 1.00 H new ATOM 0 HD1 PHE A 70 -1.067 -6.294 -12.168 1.00 1.00 H new ATOM 0 HD2 PHE A 70 -3.420 -6.162 -15.758 1.00 1.00 H new ATOM 0 HE1 PHE A 70 0.975 -6.683 -13.519 1.00 1.00 H new ATOM 0 HE2 PHE A 70 -1.379 -6.552 -17.111 1.00 1.00 H new ATOM 0 HZ PHE A 70 0.819 -6.813 -15.991 1.00 1.00 H new ATOM 1115 N GLY A 71 -4.357 -6.077 -9.453 1.00 1.00 N ATOM 1116 CA GLY A 71 -5.461 -5.708 -8.522 1.00 1.00 C ATOM 1117 C GLY A 71 -6.307 -6.945 -8.218 1.00 1.00 C ATOM 1118 O GLY A 71 -7.465 -6.846 -7.849 1.00 1.00 O ATOM 0 H GLY A 71 -3.457 -6.263 -9.010 1.00 1.00 H new ATOM 0 HA2 GLY A 71 -5.051 -5.299 -7.599 1.00 1.00 H new ATOM 0 HA3 GLY A 71 -6.082 -4.930 -8.967 1.00 1.00 H new ATOM 1122 N LYS A 72 -5.740 -8.113 -8.361 1.00 1.00 N ATOM 1123 CA LYS A 72 -6.519 -9.352 -8.084 1.00 1.00 C ATOM 1124 C LYS A 72 -6.725 -9.496 -6.579 1.00 1.00 C ATOM 1125 O LYS A 72 -7.458 -10.348 -6.118 1.00 1.00 O ATOM 1126 CB LYS A 72 -5.656 -10.495 -8.619 1.00 1.00 C ATOM 1127 CG LYS A 72 -5.403 -11.509 -7.503 1.00 1.00 C ATOM 1128 CD LYS A 72 -4.901 -10.782 -6.254 1.00 1.00 C ATOM 1129 CE LYS A 72 -3.446 -11.170 -5.987 1.00 1.00 C ATOM 1130 NZ LYS A 72 -2.639 -10.061 -6.566 1.00 1.00 N ATOM 0 H LYS A 72 -4.775 -8.261 -8.656 1.00 1.00 H new ATOM 0 HA LYS A 72 -7.504 -9.341 -8.550 1.00 1.00 H new ATOM 0 HB2 LYS A 72 -6.155 -10.979 -9.458 1.00 1.00 H new ATOM 0 HB3 LYS A 72 -4.709 -10.106 -8.993 1.00 1.00 H new ATOM 0 HG2 LYS A 72 -6.321 -12.052 -7.276 1.00 1.00 H new ATOM 0 HG3 LYS A 72 -4.668 -12.246 -7.827 1.00 1.00 H new ATOM 0 HD2 LYS A 72 -4.981 -9.704 -6.391 1.00 1.00 H new ATOM 0 HD3 LYS A 72 -5.521 -11.041 -5.396 1.00 1.00 H new ATOM 0 HE2 LYS A 72 -3.257 -11.280 -4.919 1.00 1.00 H new ATOM 0 HE3 LYS A 72 -3.200 -12.123 -6.455 1.00 1.00 H new ATOM 0 HZ1 LYS A 72 -1.800 -10.453 -7.039 1.00 1.00 H new ATOM 0 HZ2 LYS A 72 -3.214 -9.538 -7.257 1.00 1.00 H new ATOM 0 HZ3 LYS A 72 -2.339 -9.417 -5.807 1.00 1.00 H new ATOM 1143 N TYR A 73 -6.105 -8.644 -5.813 1.00 1.00 N ATOM 1144 CA TYR A 73 -6.287 -8.705 -4.341 1.00 1.00 C ATOM 1145 C TYR A 73 -7.557 -7.939 -3.972 1.00 1.00 C ATOM 1146 O TYR A 73 -8.202 -8.218 -2.981 1.00 1.00 O ATOM 1147 CB TYR A 73 -5.052 -8.020 -3.755 1.00 1.00 C ATOM 1148 CG TYR A 73 -4.034 -9.064 -3.365 1.00 1.00 C ATOM 1149 CD1 TYR A 73 -4.368 -10.054 -2.433 1.00 1.00 C ATOM 1150 CD2 TYR A 73 -2.755 -9.041 -3.933 1.00 1.00 C ATOM 1151 CE1 TYR A 73 -3.424 -11.022 -2.072 1.00 1.00 C ATOM 1152 CE2 TYR A 73 -1.811 -10.010 -3.572 1.00 1.00 C ATOM 1153 CZ TYR A 73 -2.146 -11.001 -2.641 1.00 1.00 C ATOM 1154 OH TYR A 73 -1.214 -11.954 -2.284 1.00 1.00 O ATOM 0 H TYR A 73 -5.481 -7.909 -6.144 1.00 1.00 H new ATOM 0 HA TYR A 73 -6.389 -9.723 -3.964 1.00 1.00 H new ATOM 0 HB2 TYR A 73 -4.623 -7.334 -4.485 1.00 1.00 H new ATOM 0 HB3 TYR A 73 -5.331 -7.426 -2.885 1.00 1.00 H new ATOM 0 HD1 TYR A 73 -5.354 -10.071 -1.993 1.00 1.00 H new ATOM 0 HD2 TYR A 73 -2.496 -8.276 -4.650 1.00 1.00 H new ATOM 0 HE1 TYR A 73 -3.682 -11.786 -1.354 1.00 1.00 H new ATOM 0 HE2 TYR A 73 -0.825 -9.993 -4.011 1.00 1.00 H new ATOM 0 HH TYR A 73 -0.380 -11.795 -2.773 1.00 1.00 H new ATOM 1164 N GLN A 74 -7.924 -6.975 -4.777 1.00 1.00 N ATOM 1165 CA GLN A 74 -9.157 -6.190 -4.488 1.00 1.00 C ATOM 1166 C GLN A 74 -10.348 -6.789 -5.241 1.00 1.00 C ATOM 1167 O GLN A 74 -11.440 -6.898 -4.716 1.00 1.00 O ATOM 1168 CB GLN A 74 -8.858 -4.776 -4.990 1.00 1.00 C ATOM 1169 CG GLN A 74 -9.009 -4.727 -6.511 1.00 1.00 C ATOM 1170 CD GLN A 74 -7.706 -4.229 -7.139 1.00 1.00 C ATOM 1171 OE1 GLN A 74 -7.726 -3.510 -8.118 1.00 1.00 O ATOM 1172 NE2 GLN A 74 -6.566 -4.584 -6.613 1.00 1.00 N ATOM 0 H GLN A 74 -7.422 -6.699 -5.621 1.00 1.00 H new ATOM 0 HA GLN A 74 -9.413 -6.196 -3.429 1.00 1.00 H new ATOM 0 HB2 GLN A 74 -9.538 -4.063 -4.524 1.00 1.00 H new ATOM 0 HB3 GLN A 74 -7.847 -4.485 -4.706 1.00 1.00 H new ATOM 0 HG2 GLN A 74 -9.254 -5.717 -6.895 1.00 1.00 H new ATOM 0 HG3 GLN A 74 -9.832 -4.067 -6.784 1.00 1.00 H new ATOM 0 HE21 GLN A 74 -6.550 -5.188 -5.791 1.00 1.00 H new ATOM 0 HE22 GLN A 74 -5.691 -4.258 -7.024 1.00 1.00 H new ATOM 1181 N GLY A 75 -10.150 -7.174 -6.473 1.00 1.00 N ATOM 1182 CA GLY A 75 -11.273 -7.758 -7.254 1.00 1.00 C ATOM 1183 C GLY A 75 -12.251 -6.647 -7.629 1.00 1.00 C ATOM 1184 O GLY A 75 -12.116 -6.006 -8.651 1.00 1.00 O ATOM 0 H GLY A 75 -9.261 -7.109 -6.969 1.00 1.00 H new ATOM 0 HA2 GLY A 75 -10.893 -8.244 -8.153 1.00 1.00 H new ATOM 0 HA3 GLY A 75 -11.781 -8.524 -6.668 1.00 1.00 H new ATOM 1188 N THR A 76 -13.232 -6.411 -6.804 1.00 1.00 N ATOM 1189 CA THR A 76 -14.220 -5.337 -7.106 1.00 1.00 C ATOM 1190 C THR A 76 -13.930 -4.103 -6.249 1.00 1.00 C ATOM 1191 O THR A 76 -14.622 -3.825 -5.289 1.00 1.00 O ATOM 1192 CB THR A 76 -15.581 -5.935 -6.746 1.00 1.00 C ATOM 1193 OG1 THR A 76 -15.395 -7.232 -6.196 1.00 1.00 O ATOM 1194 CG2 THR A 76 -16.447 -6.031 -8.003 1.00 1.00 C ATOM 0 H THR A 76 -13.393 -6.916 -5.932 1.00 1.00 H new ATOM 0 HA THR A 76 -14.181 -5.018 -8.148 1.00 1.00 H new ATOM 0 HB THR A 76 -16.077 -5.297 -6.015 1.00 1.00 H new ATOM 0 HG1 THR A 76 -15.188 -7.156 -5.241 1.00 1.00 H new ATOM 0 HG21 THR A 76 -17.417 -6.457 -7.745 1.00 1.00 H new ATOM 0 HG22 THR A 76 -16.589 -5.036 -8.424 1.00 1.00 H new ATOM 0 HG23 THR A 76 -15.954 -6.669 -8.737 1.00 1.00 H new ATOM 1202 N TRP A 77 -12.909 -3.363 -6.583 1.00 1.00 N ATOM 1203 CA TRP A 77 -12.575 -2.150 -5.783 1.00 1.00 C ATOM 1204 C TRP A 77 -13.548 -1.015 -6.104 1.00 1.00 C ATOM 1205 O TRP A 77 -14.226 -1.028 -7.112 1.00 1.00 O ATOM 1206 CB TRP A 77 -11.154 -1.768 -6.202 1.00 1.00 C ATOM 1207 CG TRP A 77 -10.966 -2.048 -7.659 1.00 1.00 C ATOM 1208 CD1 TRP A 77 -11.946 -2.420 -8.513 1.00 1.00 C ATOM 1209 CD2 TRP A 77 -9.741 -1.983 -8.445 1.00 1.00 C ATOM 1210 NE1 TRP A 77 -11.401 -2.588 -9.773 1.00 1.00 N ATOM 1211 CE2 TRP A 77 -10.045 -2.329 -9.783 1.00 1.00 C ATOM 1212 CE3 TRP A 77 -8.409 -1.659 -8.131 1.00 1.00 C ATOM 1213 CZ2 TRP A 77 -9.062 -2.355 -10.773 1.00 1.00 C ATOM 1214 CZ3 TRP A 77 -7.417 -1.684 -9.125 1.00 1.00 C ATOM 1215 CH2 TRP A 77 -7.743 -2.031 -10.443 1.00 1.00 C ATOM 0 H TRP A 77 -12.292 -3.545 -7.374 1.00 1.00 H new ATOM 0 HA TRP A 77 -12.647 -2.337 -4.712 1.00 1.00 H new ATOM 0 HB2 TRP A 77 -10.976 -0.712 -5.999 1.00 1.00 H new ATOM 0 HB3 TRP A 77 -10.428 -2.332 -5.617 1.00 1.00 H new ATOM 0 HD1 TRP A 77 -12.985 -2.563 -8.254 1.00 1.00 H new ATOM 0 HE1 TRP A 77 -11.936 -2.869 -10.595 1.00 1.00 H new ATOM 0 HE3 TRP A 77 -8.147 -1.389 -7.119 1.00 1.00 H new ATOM 0 HZ2 TRP A 77 -9.319 -2.624 -11.787 1.00 1.00 H new ATOM 0 HZ3 TRP A 77 -6.397 -1.434 -8.872 1.00 1.00 H new ATOM 0 HH2 TRP A 77 -6.976 -2.048 -11.203 1.00 1.00 H new ATOM 1226 N VAL A 78 -13.617 -0.031 -5.253 1.00 1.00 N ATOM 1227 CA VAL A 78 -14.539 1.113 -5.502 1.00 1.00 C ATOM 1228 C VAL A 78 -13.835 2.429 -5.159 1.00 1.00 C ATOM 1229 O VAL A 78 -12.842 2.435 -4.460 1.00 1.00 O ATOM 1230 CB VAL A 78 -15.725 0.879 -4.568 1.00 1.00 C ATOM 1231 CG1 VAL A 78 -17.020 0.858 -5.380 1.00 1.00 C ATOM 1232 CG2 VAL A 78 -15.551 -0.463 -3.852 1.00 1.00 C ATOM 0 H VAL A 78 -13.073 0.031 -4.392 1.00 1.00 H new ATOM 0 HA VAL A 78 -14.853 1.177 -6.544 1.00 1.00 H new ATOM 0 HB VAL A 78 -15.772 1.682 -3.833 1.00 1.00 H new ATOM 0 HG11 VAL A 78 -17.865 0.691 -4.712 1.00 1.00 H new ATOM 0 HG12 VAL A 78 -17.144 1.813 -5.891 1.00 1.00 H new ATOM 0 HG13 VAL A 78 -16.975 0.055 -6.116 1.00 1.00 H new ATOM 0 HG21 VAL A 78 -16.396 -0.632 -3.185 1.00 1.00 H new ATOM 0 HG22 VAL A 78 -15.504 -1.265 -4.589 1.00 1.00 H new ATOM 0 HG23 VAL A 78 -14.628 -0.449 -3.272 1.00 1.00 H new ATOM 1242 N PRO A 79 -14.377 3.501 -5.666 1.00 1.00 N ATOM 1243 CA PRO A 79 -13.791 4.836 -5.407 1.00 1.00 C ATOM 1244 C PRO A 79 -13.605 5.045 -3.902 1.00 1.00 C ATOM 1245 O PRO A 79 -14.560 5.103 -3.153 1.00 1.00 O ATOM 1246 CB PRO A 79 -14.824 5.809 -5.970 1.00 1.00 C ATOM 1247 CG PRO A 79 -15.633 5.011 -6.947 1.00 1.00 C ATOM 1248 CD PRO A 79 -15.570 3.569 -6.514 1.00 1.00 C ATOM 0 HA PRO A 79 -12.809 4.968 -5.861 1.00 1.00 H new ATOM 0 HB2 PRO A 79 -15.453 6.215 -5.178 1.00 1.00 H new ATOM 0 HB3 PRO A 79 -14.341 6.655 -6.459 1.00 1.00 H new ATOM 0 HG2 PRO A 79 -16.665 5.361 -6.967 1.00 1.00 H new ATOM 0 HG3 PRO A 79 -15.238 5.126 -7.956 1.00 1.00 H new ATOM 0 HD2 PRO A 79 -16.466 3.278 -5.965 1.00 1.00 H new ATOM 0 HD3 PRO A 79 -15.489 2.899 -7.370 1.00 1.00 H new ATOM 1256 N LEU A 80 -12.384 5.154 -3.452 1.00 1.00 N ATOM 1257 CA LEU A 80 -12.147 5.352 -1.994 1.00 1.00 C ATOM 1258 C LEU A 80 -13.035 6.480 -1.462 1.00 1.00 C ATOM 1259 O LEU A 80 -13.495 6.441 -0.338 1.00 1.00 O ATOM 1260 CB LEU A 80 -10.670 5.733 -1.881 1.00 1.00 C ATOM 1261 CG LEU A 80 -10.528 6.976 -1.002 1.00 1.00 C ATOM 1262 CD1 LEU A 80 -9.130 7.005 -0.380 1.00 1.00 C ATOM 1263 CD2 LEU A 80 -10.729 8.229 -1.857 1.00 1.00 C ATOM 0 H LEU A 80 -11.544 5.115 -4.029 1.00 1.00 H new ATOM 0 HA LEU A 80 -12.384 4.461 -1.412 1.00 1.00 H new ATOM 0 HB2 LEU A 80 -10.102 4.906 -1.454 1.00 1.00 H new ATOM 0 HB3 LEU A 80 -10.257 5.926 -2.871 1.00 1.00 H new ATOM 0 HG LEU A 80 -11.278 6.949 -0.211 1.00 1.00 H new ATOM 0 HD11 LEU A 80 -9.029 7.891 0.247 1.00 1.00 H new ATOM 0 HD12 LEU A 80 -8.984 6.112 0.228 1.00 1.00 H new ATOM 0 HD13 LEU A 80 -8.380 7.032 -1.171 1.00 1.00 H new ATOM 0 HD21 LEU A 80 -10.628 9.116 -1.232 1.00 1.00 H new ATOM 0 HD22 LEU A 80 -9.979 8.255 -2.647 1.00 1.00 H new ATOM 0 HD23 LEU A 80 -11.724 8.210 -2.302 1.00 1.00 H new ATOM 1275 N ASN A 81 -13.291 7.478 -2.266 1.00 1.00 N ATOM 1276 CA ASN A 81 -14.161 8.597 -1.805 1.00 1.00 C ATOM 1277 C ASN A 81 -15.569 8.070 -1.526 1.00 1.00 C ATOM 1278 O ASN A 81 -16.238 8.502 -0.609 1.00 1.00 O ATOM 1279 CB ASN A 81 -14.179 9.592 -2.966 1.00 1.00 C ATOM 1280 CG ASN A 81 -13.977 8.842 -4.284 1.00 1.00 C ATOM 1281 OD1 ASN A 81 -13.949 7.628 -4.308 1.00 1.00 O ATOM 1282 ND2 ASN A 81 -13.833 9.518 -5.391 1.00 1.00 N ATOM 0 H ASN A 81 -12.936 7.566 -3.218 1.00 1.00 H new ATOM 0 HA ASN A 81 -13.799 9.058 -0.886 1.00 1.00 H new ATOM 0 HB2 ASN A 81 -15.127 10.130 -2.983 1.00 1.00 H new ATOM 0 HB3 ASN A 81 -13.393 10.335 -2.834 1.00 1.00 H new ATOM 0 HD21 ASN A 81 -13.697 9.027 -6.275 1.00 1.00 H new ATOM 0 HD22 ASN A 81 -13.856 10.538 -5.373 1.00 1.00 H new ATOM 1289 N ILE A 82 -16.017 7.127 -2.310 1.00 1.00 N ATOM 1290 CA ILE A 82 -17.374 6.554 -2.093 1.00 1.00 C ATOM 1291 C ILE A 82 -17.256 5.224 -1.343 1.00 1.00 C ATOM 1292 O ILE A 82 -18.113 4.860 -0.564 1.00 1.00 O ATOM 1293 CB ILE A 82 -17.941 6.333 -3.495 1.00 1.00 C ATOM 1294 CG1 ILE A 82 -19.469 6.394 -3.442 1.00 1.00 C ATOM 1295 CG2 ILE A 82 -17.505 4.960 -4.010 1.00 1.00 C ATOM 1296 CD1 ILE A 82 -20.054 5.138 -4.088 1.00 1.00 C ATOM 0 H ILE A 82 -15.499 6.728 -3.093 1.00 1.00 H new ATOM 0 HA ILE A 82 -18.014 7.206 -1.498 1.00 1.00 H new ATOM 0 HB ILE A 82 -17.568 7.108 -4.164 1.00 1.00 H new ATOM 0 HG12 ILE A 82 -19.804 6.473 -2.408 1.00 1.00 H new ATOM 0 HG13 ILE A 82 -19.826 7.283 -3.962 1.00 1.00 H new ATOM 0 HG21 ILE A 82 -17.909 4.801 -5.010 1.00 1.00 H new ATOM 0 HG22 ILE A 82 -16.417 4.914 -4.047 1.00 1.00 H new ATOM 0 HG23 ILE A 82 -17.878 4.185 -3.341 1.00 1.00 H new ATOM 0 HD11 ILE A 82 -21.142 5.182 -4.050 1.00 1.00 H new ATOM 0 HD12 ILE A 82 -19.730 5.078 -5.127 1.00 1.00 H new ATOM 0 HD13 ILE A 82 -19.708 4.256 -3.549 1.00 1.00 H new ATOM 1308 N ALA A 83 -16.193 4.502 -1.573 1.00 1.00 N ATOM 1309 CA ALA A 83 -16.010 3.198 -0.875 1.00 1.00 C ATOM 1310 C ALA A 83 -15.943 3.419 0.637 1.00 1.00 C ATOM 1311 O ALA A 83 -16.718 2.864 1.390 1.00 1.00 O ATOM 1312 CB ALA A 83 -14.682 2.652 -1.398 1.00 1.00 C ATOM 0 H ALA A 83 -15.443 4.759 -2.215 1.00 1.00 H new ATOM 0 HA ALA A 83 -16.833 2.508 -1.060 1.00 1.00 H new ATOM 0 HB1 ALA A 83 -14.475 1.690 -0.930 1.00 1.00 H new ATOM 0 HB2 ALA A 83 -14.741 2.525 -2.479 1.00 1.00 H new ATOM 0 HB3 ALA A 83 -13.881 3.352 -1.159 1.00 1.00 H new ATOM 1318 N LYS A 84 -15.022 4.226 1.091 1.00 1.00 N ATOM 1319 CA LYS A 84 -14.911 4.477 2.557 1.00 1.00 C ATOM 1320 C LYS A 84 -16.246 4.983 3.105 1.00 1.00 C ATOM 1321 O LYS A 84 -16.574 4.776 4.257 1.00 1.00 O ATOM 1322 CB LYS A 84 -13.832 5.552 2.693 1.00 1.00 C ATOM 1323 CG LYS A 84 -13.259 5.526 4.112 1.00 1.00 C ATOM 1324 CD LYS A 84 -11.926 6.275 4.138 1.00 1.00 C ATOM 1325 CE LYS A 84 -10.783 5.279 4.346 1.00 1.00 C ATOM 1326 NZ LYS A 84 -9.564 6.119 4.499 1.00 1.00 N ATOM 0 H LYS A 84 -14.344 4.721 0.512 1.00 1.00 H new ATOM 0 HA LYS A 84 -14.659 3.575 3.115 1.00 1.00 H new ATOM 0 HB2 LYS A 84 -13.038 5.379 1.966 1.00 1.00 H new ATOM 0 HB3 LYS A 84 -14.253 6.534 2.478 1.00 1.00 H new ATOM 0 HG2 LYS A 84 -13.961 5.987 4.807 1.00 1.00 H new ATOM 0 HG3 LYS A 84 -13.116 4.496 4.439 1.00 1.00 H new ATOM 0 HD2 LYS A 84 -11.784 6.818 3.203 1.00 1.00 H new ATOM 0 HD3 LYS A 84 -11.928 7.014 4.939 1.00 1.00 H new ATOM 0 HE2 LYS A 84 -10.952 4.663 5.230 1.00 1.00 H new ATOM 0 HE3 LYS A 84 -10.691 4.601 3.498 1.00 1.00 H new ATOM 0 HZ1 LYS A 84 -8.736 5.506 4.646 1.00 1.00 H new ATOM 0 HZ2 LYS A 84 -9.425 6.689 3.640 1.00 1.00 H new ATOM 0 HZ3 LYS A 84 -9.677 6.750 5.318 1.00 1.00 H new ATOM 1339 N GLN A 85 -17.023 5.642 2.289 1.00 1.00 N ATOM 1340 CA GLN A 85 -18.339 6.155 2.763 1.00 1.00 C ATOM 1341 C GLN A 85 -19.323 4.995 2.931 1.00 1.00 C ATOM 1342 O GLN A 85 -20.159 4.998 3.813 1.00 1.00 O ATOM 1343 CB GLN A 85 -18.814 7.109 1.666 1.00 1.00 C ATOM 1344 CG GLN A 85 -20.342 7.085 1.594 1.00 1.00 C ATOM 1345 CD GLN A 85 -20.839 8.329 0.854 1.00 1.00 C ATOM 1346 OE1 GLN A 85 -21.985 8.398 0.460 1.00 1.00 O ATOM 1347 NE2 GLN A 85 -20.017 9.321 0.648 1.00 1.00 N ATOM 0 H GLN A 85 -16.803 5.847 1.314 1.00 1.00 H new ATOM 0 HA GLN A 85 -18.266 6.654 3.729 1.00 1.00 H new ATOM 0 HB2 GLN A 85 -18.465 8.121 1.873 1.00 1.00 H new ATOM 0 HB3 GLN A 85 -18.390 6.816 0.706 1.00 1.00 H new ATOM 0 HG2 GLN A 85 -20.678 6.185 1.080 1.00 1.00 H new ATOM 0 HG3 GLN A 85 -20.763 7.054 2.599 1.00 1.00 H new ATOM 0 HE21 GLN A 85 -19.054 9.263 0.979 1.00 1.00 H new ATOM 0 HE22 GLN A 85 -20.337 10.155 0.156 1.00 1.00 H new ATOM 1356 N LEU A 86 -19.226 3.999 2.092 1.00 1.00 N ATOM 1357 CA LEU A 86 -20.153 2.837 2.204 1.00 1.00 C ATOM 1358 C LEU A 86 -19.709 1.918 3.345 1.00 1.00 C ATOM 1359 O LEU A 86 -20.503 1.501 4.164 1.00 1.00 O ATOM 1360 CB LEU A 86 -20.048 2.116 0.863 1.00 1.00 C ATOM 1361 CG LEU A 86 -21.447 1.931 0.273 1.00 1.00 C ATOM 1362 CD1 LEU A 86 -21.539 2.669 -1.065 1.00 1.00 C ATOM 1363 CD2 LEU A 86 -21.711 0.441 0.051 1.00 1.00 C ATOM 0 H LEU A 86 -18.545 3.940 1.335 1.00 1.00 H new ATOM 0 HA LEU A 86 -21.176 3.143 2.422 1.00 1.00 H new ATOM 0 HB2 LEU A 86 -19.425 2.690 0.177 1.00 1.00 H new ATOM 0 HB3 LEU A 86 -19.566 1.147 0.996 1.00 1.00 H new ATOM 0 HG LEU A 86 -22.189 2.335 0.962 1.00 1.00 H new ATOM 0 HD11 LEU A 86 -22.536 2.537 -1.485 1.00 1.00 H new ATOM 0 HD12 LEU A 86 -21.349 3.731 -0.909 1.00 1.00 H new ATOM 0 HD13 LEU A 86 -20.798 2.265 -1.755 1.00 1.00 H new ATOM 0 HD21 LEU A 86 -22.708 0.307 -0.369 1.00 1.00 H new ATOM 0 HD22 LEU A 86 -20.969 0.039 -0.639 1.00 1.00 H new ATOM 0 HD23 LEU A 86 -21.645 -0.086 1.003 1.00 1.00 H new ATOM 1375 N ALA A 87 -18.443 1.603 3.408 1.00 1.00 N ATOM 1376 CA ALA A 87 -17.950 0.715 4.500 1.00 1.00 C ATOM 1377 C ALA A 87 -18.173 1.384 5.858 1.00 1.00 C ATOM 1378 O ALA A 87 -18.646 0.770 6.795 1.00 1.00 O ATOM 1379 CB ALA A 87 -16.457 0.539 4.224 1.00 1.00 C ATOM 0 H ALA A 87 -17.730 1.922 2.752 1.00 1.00 H new ATOM 0 HA ALA A 87 -18.472 -0.242 4.526 1.00 1.00 H new ATOM 0 HB1 ALA A 87 -16.019 -0.105 4.987 1.00 1.00 H new ATOM 0 HB2 ALA A 87 -16.319 0.084 3.243 1.00 1.00 H new ATOM 0 HB3 ALA A 87 -15.966 1.512 4.245 1.00 1.00 H new ATOM 1385 N GLU A 88 -17.847 2.645 5.963 1.00 1.00 N ATOM 1386 CA GLU A 88 -18.048 3.369 7.248 1.00 1.00 C ATOM 1387 C GLU A 88 -19.485 3.176 7.731 1.00 1.00 C ATOM 1388 O GLU A 88 -19.783 3.294 8.904 1.00 1.00 O ATOM 1389 CB GLU A 88 -17.780 4.830 6.913 1.00 1.00 C ATOM 1390 CG GLU A 88 -19.093 5.615 6.947 1.00 1.00 C ATOM 1391 CD GLU A 88 -18.830 7.027 7.474 1.00 1.00 C ATOM 1392 OE1 GLU A 88 -18.459 7.875 6.679 1.00 1.00 O ATOM 1393 OE2 GLU A 88 -19.005 7.238 8.663 1.00 1.00 O ATOM 0 H GLU A 88 -17.449 3.205 5.210 1.00 1.00 H new ATOM 0 HA GLU A 88 -17.395 3.009 8.044 1.00 1.00 H new ATOM 0 HB2 GLU A 88 -17.073 5.253 7.627 1.00 1.00 H new ATOM 0 HB3 GLU A 88 -17.323 4.909 5.927 1.00 1.00 H new ATOM 0 HG2 GLU A 88 -19.526 5.663 5.948 1.00 1.00 H new ATOM 0 HG3 GLU A 88 -19.817 5.107 7.584 1.00 1.00 H new ATOM 1400 N LYS A 89 -20.374 2.867 6.830 1.00 1.00 N ATOM 1401 CA LYS A 89 -21.793 2.649 7.223 1.00 1.00 C ATOM 1402 C LYS A 89 -21.898 1.383 8.075 1.00 1.00 C ATOM 1403 O LYS A 89 -21.539 1.369 9.236 1.00 1.00 O ATOM 1404 CB LYS A 89 -22.549 2.478 5.906 1.00 1.00 C ATOM 1405 CG LYS A 89 -24.014 2.875 6.102 1.00 1.00 C ATOM 1406 CD LYS A 89 -24.086 4.223 6.822 1.00 1.00 C ATOM 1407 CE LYS A 89 -23.394 5.294 5.975 1.00 1.00 C ATOM 1408 NZ LYS A 89 -23.364 4.732 4.597 1.00 1.00 N ATOM 0 H LYS A 89 -20.178 2.756 5.835 1.00 1.00 H new ATOM 0 HA LYS A 89 -22.197 3.472 7.813 1.00 1.00 H new ATOM 0 HB2 LYS A 89 -22.095 3.095 5.131 1.00 1.00 H new ATOM 0 HB3 LYS A 89 -22.484 1.444 5.569 1.00 1.00 H new ATOM 0 HG2 LYS A 89 -24.517 2.939 5.137 1.00 1.00 H new ATOM 0 HG3 LYS A 89 -24.534 2.113 6.682 1.00 1.00 H new ATOM 0 HD2 LYS A 89 -25.126 4.499 6.997 1.00 1.00 H new ATOM 0 HD3 LYS A 89 -23.607 4.151 7.799 1.00 1.00 H new ATOM 0 HE2 LYS A 89 -23.941 6.236 6.006 1.00 1.00 H new ATOM 0 HE3 LYS A 89 -22.388 5.498 6.341 1.00 1.00 H new ATOM 0 HZ1 LYS A 89 -23.365 5.509 3.905 1.00 1.00 H new ATOM 0 HZ2 LYS A 89 -22.504 4.160 4.474 1.00 1.00 H new ATOM 0 HZ3 LYS A 89 -24.202 4.134 4.447 1.00 1.00 H new ATOM 1421 N PHE A 90 -22.376 0.314 7.502 1.00 1.00 N ATOM 1422 CA PHE A 90 -22.491 -0.957 8.271 1.00 1.00 C ATOM 1423 C PHE A 90 -21.467 -1.970 7.752 1.00 1.00 C ATOM 1424 O PHE A 90 -21.545 -3.149 8.033 1.00 1.00 O ATOM 1425 CB PHE A 90 -23.914 -1.452 8.010 1.00 1.00 C ATOM 1426 CG PHE A 90 -24.899 -0.530 8.687 1.00 1.00 C ATOM 1427 CD1 PHE A 90 -24.525 0.780 9.009 1.00 1.00 C ATOM 1428 CD2 PHE A 90 -26.188 -0.984 8.993 1.00 1.00 C ATOM 1429 CE1 PHE A 90 -25.439 1.635 9.637 1.00 1.00 C ATOM 1430 CE2 PHE A 90 -27.102 -0.129 9.621 1.00 1.00 C ATOM 1431 CZ PHE A 90 -26.727 1.180 9.942 1.00 1.00 C ATOM 0 H PHE A 90 -22.692 0.265 6.534 1.00 1.00 H new ATOM 0 HA PHE A 90 -22.299 -0.820 9.335 1.00 1.00 H new ATOM 0 HB2 PHE A 90 -24.108 -1.485 6.938 1.00 1.00 H new ATOM 0 HB3 PHE A 90 -24.032 -2.468 8.387 1.00 1.00 H new ATOM 0 HD1 PHE A 90 -23.531 1.131 8.773 1.00 1.00 H new ATOM 0 HD2 PHE A 90 -26.477 -1.994 8.744 1.00 1.00 H new ATOM 0 HE1 PHE A 90 -25.150 2.645 9.886 1.00 1.00 H new ATOM 0 HE2 PHE A 90 -28.096 -0.480 9.857 1.00 1.00 H new ATOM 0 HZ PHE A 90 -27.432 1.840 10.426 1.00 1.00 H new ATOM 1441 N SER A 91 -20.513 -1.517 6.984 1.00 1.00 N ATOM 1442 CA SER A 91 -19.494 -2.449 6.431 1.00 1.00 C ATOM 1443 C SER A 91 -18.483 -2.857 7.505 1.00 1.00 C ATOM 1444 O SER A 91 -18.781 -3.633 8.391 1.00 1.00 O ATOM 1445 CB SER A 91 -18.802 -1.663 5.320 1.00 1.00 C ATOM 1446 OG SER A 91 -17.787 -2.468 4.736 1.00 1.00 O ATOM 0 H SER A 91 -20.397 -0.540 6.716 1.00 1.00 H new ATOM 0 HA SER A 91 -19.946 -3.371 6.066 1.00 1.00 H new ATOM 0 HB2 SER A 91 -19.528 -1.367 4.563 1.00 1.00 H new ATOM 0 HB3 SER A 91 -18.369 -0.747 5.722 1.00 1.00 H new ATOM 0 HG SER A 91 -18.196 -3.242 4.295 1.00 1.00 H new ATOM 1452 N VAL A 92 -17.287 -2.341 7.428 1.00 1.00 N ATOM 1453 CA VAL A 92 -16.239 -2.690 8.430 1.00 1.00 C ATOM 1454 C VAL A 92 -15.773 -1.426 9.158 1.00 1.00 C ATOM 1455 O VAL A 92 -14.746 -1.417 9.807 1.00 1.00 O ATOM 1456 CB VAL A 92 -15.097 -3.294 7.615 1.00 1.00 C ATOM 1457 CG1 VAL A 92 -14.343 -4.315 8.468 1.00 1.00 C ATOM 1458 CG2 VAL A 92 -15.667 -3.990 6.377 1.00 1.00 C ATOM 0 H VAL A 92 -16.988 -1.686 6.706 1.00 1.00 H new ATOM 0 HA VAL A 92 -16.603 -3.381 9.190 1.00 1.00 H new ATOM 0 HB VAL A 92 -14.414 -2.502 7.307 1.00 1.00 H new ATOM 0 HG11 VAL A 92 -13.528 -4.745 7.885 1.00 1.00 H new ATOM 0 HG12 VAL A 92 -13.936 -3.822 9.351 1.00 1.00 H new ATOM 0 HG13 VAL A 92 -15.026 -5.107 8.776 1.00 1.00 H new ATOM 0 HG21 VAL A 92 -14.853 -4.421 5.795 1.00 1.00 H new ATOM 0 HG22 VAL A 92 -16.350 -4.781 6.686 1.00 1.00 H new ATOM 0 HG23 VAL A 92 -16.205 -3.264 5.767 1.00 1.00 H new ATOM 1468 N TYR A 93 -16.517 -0.359 9.052 1.00 1.00 N ATOM 1469 CA TYR A 93 -16.114 0.902 9.737 1.00 1.00 C ATOM 1470 C TYR A 93 -15.321 0.580 11.006 1.00 1.00 C ATOM 1471 O TYR A 93 -14.458 1.330 11.417 1.00 1.00 O ATOM 1472 CB TYR A 93 -17.428 1.603 10.083 1.00 1.00 C ATOM 1473 CG TYR A 93 -17.466 1.902 11.563 1.00 1.00 C ATOM 1474 CD1 TYR A 93 -16.482 2.715 12.140 1.00 1.00 C ATOM 1475 CD2 TYR A 93 -18.486 1.367 12.359 1.00 1.00 C ATOM 1476 CE1 TYR A 93 -16.519 2.992 13.511 1.00 1.00 C ATOM 1477 CE2 TYR A 93 -18.523 1.645 13.731 1.00 1.00 C ATOM 1478 CZ TYR A 93 -17.538 2.457 14.307 1.00 1.00 C ATOM 1479 OH TYR A 93 -17.574 2.731 15.659 1.00 1.00 O ATOM 0 H TYR A 93 -17.386 -0.306 8.521 1.00 1.00 H new ATOM 0 HA TYR A 93 -15.474 1.527 9.114 1.00 1.00 H new ATOM 0 HB2 TYR A 93 -17.521 2.527 9.512 1.00 1.00 H new ATOM 0 HB3 TYR A 93 -18.273 0.972 9.807 1.00 1.00 H new ATOM 0 HD1 TYR A 93 -15.695 3.128 11.527 1.00 1.00 H new ATOM 0 HD2 TYR A 93 -19.245 0.740 11.915 1.00 1.00 H new ATOM 0 HE1 TYR A 93 -15.760 3.619 13.955 1.00 1.00 H new ATOM 0 HE2 TYR A 93 -19.311 1.233 14.345 1.00 1.00 H new ATOM 0 HH TYR A 93 -18.346 2.283 16.063 1.00 1.00 H new ATOM 1489 N ASP A 94 -15.606 -0.531 11.629 1.00 1.00 N ATOM 1490 CA ASP A 94 -14.866 -0.902 12.869 1.00 1.00 C ATOM 1491 C ASP A 94 -13.629 -1.733 12.515 1.00 1.00 C ATOM 1492 O ASP A 94 -12.520 -1.405 12.890 1.00 1.00 O ATOM 1493 CB ASP A 94 -15.855 -1.732 13.688 1.00 1.00 C ATOM 1494 CG ASP A 94 -16.329 -0.919 14.892 1.00 1.00 C ATOM 1495 OD1 ASP A 94 -15.671 0.054 15.222 1.00 1.00 O ATOM 1496 OD2 ASP A 94 -17.343 -1.281 15.466 1.00 1.00 O ATOM 0 H ASP A 94 -16.319 -1.198 11.333 1.00 1.00 H new ATOM 0 HA ASP A 94 -14.516 -0.029 13.419 1.00 1.00 H new ATOM 0 HB2 ASP A 94 -16.707 -2.016 13.070 1.00 1.00 H new ATOM 0 HB3 ASP A 94 -15.382 -2.655 14.023 1.00 1.00 H new ATOM 1501 N GLN A 95 -13.810 -2.807 11.796 1.00 1.00 N ATOM 1502 CA GLN A 95 -12.646 -3.659 11.419 1.00 1.00 C ATOM 1503 C GLN A 95 -11.646 -2.850 10.589 1.00 1.00 C ATOM 1504 O GLN A 95 -10.470 -3.154 10.549 1.00 1.00 O ATOM 1505 CB GLN A 95 -13.240 -4.795 10.586 1.00 1.00 C ATOM 1506 CG GLN A 95 -12.962 -6.132 11.275 1.00 1.00 C ATOM 1507 CD GLN A 95 -14.224 -6.997 11.242 1.00 1.00 C ATOM 1508 OE1 GLN A 95 -14.177 -8.172 11.543 1.00 1.00 O ATOM 1509 NE2 GLN A 95 -15.358 -6.459 10.886 1.00 1.00 N ATOM 0 H GLN A 95 -14.714 -3.132 11.453 1.00 1.00 H new ATOM 0 HA GLN A 95 -12.107 -4.032 12.290 1.00 1.00 H new ATOM 0 HB2 GLN A 95 -14.314 -4.651 10.468 1.00 1.00 H new ATOM 0 HB3 GLN A 95 -12.806 -4.792 9.586 1.00 1.00 H new ATOM 0 HG2 GLN A 95 -12.142 -6.647 10.774 1.00 1.00 H new ATOM 0 HG3 GLN A 95 -12.651 -5.964 12.306 1.00 1.00 H new ATOM 0 HE21 GLN A 95 -15.397 -5.472 10.633 1.00 1.00 H new ATOM 0 HE22 GLN A 95 -16.206 -7.026 10.861 1.00 1.00 H new ATOM 1518 N LEU A 96 -12.101 -1.821 9.928 1.00 1.00 N ATOM 1519 CA LEU A 96 -11.172 -0.996 9.104 1.00 1.00 C ATOM 1520 C LEU A 96 -10.551 0.110 9.963 1.00 1.00 C ATOM 1521 O LEU A 96 -10.170 1.153 9.469 1.00 1.00 O ATOM 1522 CB LEU A 96 -12.045 -0.394 8.002 1.00 1.00 C ATOM 1523 CG LEU A 96 -13.119 -1.403 7.594 1.00 1.00 C ATOM 1524 CD1 LEU A 96 -14.207 -0.692 6.788 1.00 1.00 C ATOM 1525 CD2 LEU A 96 -12.486 -2.501 6.735 1.00 1.00 C ATOM 0 H LEU A 96 -13.074 -1.516 9.923 1.00 1.00 H new ATOM 0 HA LEU A 96 -10.350 -1.582 8.694 1.00 1.00 H new ATOM 0 HB2 LEU A 96 -12.511 0.526 8.354 1.00 1.00 H new ATOM 0 HB3 LEU A 96 -11.432 -0.131 7.140 1.00 1.00 H new ATOM 0 HG LEU A 96 -13.559 -1.846 8.487 1.00 1.00 H new ATOM 0 HD11 LEU A 96 -14.973 -1.411 6.497 1.00 1.00 H new ATOM 0 HD12 LEU A 96 -14.658 0.092 7.397 1.00 1.00 H new ATOM 0 HD13 LEU A 96 -13.767 -0.249 5.895 1.00 1.00 H new ATOM 0 HD21 LEU A 96 -13.251 -3.221 6.443 1.00 1.00 H new ATOM 0 HD22 LEU A 96 -12.047 -2.056 5.842 1.00 1.00 H new ATOM 0 HD23 LEU A 96 -11.709 -3.008 7.307 1.00 1.00 H new ATOM 1537 N LYS A 97 -10.449 -0.112 11.244 1.00 1.00 N ATOM 1538 CA LYS A 97 -9.856 0.925 12.137 1.00 1.00 C ATOM 1539 C LYS A 97 -8.486 1.359 11.611 1.00 1.00 C ATOM 1540 O LYS A 97 -8.226 2.536 11.453 1.00 1.00 O ATOM 1541 CB LYS A 97 -9.716 0.241 13.497 1.00 1.00 C ATOM 1542 CG LYS A 97 -10.730 0.835 14.476 1.00 1.00 C ATOM 1543 CD LYS A 97 -10.229 0.644 15.910 1.00 1.00 C ATOM 1544 CE LYS A 97 -8.870 1.330 16.072 1.00 1.00 C ATOM 1545 NZ LYS A 97 -8.976 2.096 17.345 1.00 1.00 N ATOM 0 H LYS A 97 -10.750 -0.967 11.712 1.00 1.00 H new ATOM 0 HA LYS A 97 -10.472 1.823 12.192 1.00 1.00 H new ATOM 0 HB2 LYS A 97 -9.879 -0.832 13.395 1.00 1.00 H new ATOM 0 HB3 LYS A 97 -8.704 0.374 13.880 1.00 1.00 H new ATOM 0 HG2 LYS A 97 -10.874 1.895 14.268 1.00 1.00 H new ATOM 0 HG3 LYS A 97 -11.699 0.351 14.351 1.00 1.00 H new ATOM 0 HD2 LYS A 97 -10.946 1.063 16.616 1.00 1.00 H new ATOM 0 HD3 LYS A 97 -10.141 -0.418 16.137 1.00 1.00 H new ATOM 0 HE2 LYS A 97 -8.062 0.600 16.116 1.00 1.00 H new ATOM 0 HE3 LYS A 97 -8.658 1.990 15.231 1.00 1.00 H new ATOM 0 HZ1 LYS A 97 -8.081 2.595 17.526 1.00 1.00 H new ATOM 0 HZ2 LYS A 97 -9.749 2.788 17.271 1.00 1.00 H new ATOM 0 HZ3 LYS A 97 -9.172 1.441 18.129 1.00 1.00 H new ATOM 1558 N PRO A 98 -7.651 0.389 11.355 1.00 1.00 N ATOM 1559 CA PRO A 98 -6.290 0.676 10.840 1.00 1.00 C ATOM 1560 C PRO A 98 -6.374 1.338 9.461 1.00 1.00 C ATOM 1561 O PRO A 98 -5.920 2.447 9.264 1.00 1.00 O ATOM 1562 CB PRO A 98 -5.627 -0.699 10.745 1.00 1.00 C ATOM 1563 CG PRO A 98 -6.748 -1.692 10.788 1.00 1.00 C ATOM 1564 CD PRO A 98 -7.893 -1.045 11.520 1.00 1.00 C ATOM 0 HA PRO A 98 -5.731 1.361 11.478 1.00 1.00 H new ATOM 0 HB2 PRO A 98 -5.054 -0.795 9.823 1.00 1.00 H new ATOM 0 HB3 PRO A 98 -4.932 -0.857 11.570 1.00 1.00 H new ATOM 0 HG2 PRO A 98 -7.048 -1.976 9.779 1.00 1.00 H new ATOM 0 HG3 PRO A 98 -6.434 -2.604 11.296 1.00 1.00 H new ATOM 0 HD2 PRO A 98 -8.854 -1.339 11.098 1.00 1.00 H new ATOM 0 HD3 PRO A 98 -7.906 -1.329 12.572 1.00 1.00 H new ATOM 1572 N LEU A 99 -6.962 0.668 8.505 1.00 1.00 N ATOM 1573 CA LEU A 99 -7.079 1.266 7.145 1.00 1.00 C ATOM 1574 C LEU A 99 -7.765 2.630 7.236 1.00 1.00 C ATOM 1575 O LEU A 99 -7.393 3.570 6.561 1.00 1.00 O ATOM 1576 CB LEU A 99 -7.942 0.283 6.351 1.00 1.00 C ATOM 1577 CG LEU A 99 -8.476 0.973 5.095 1.00 1.00 C ATOM 1578 CD1 LEU A 99 -9.453 0.041 4.376 1.00 1.00 C ATOM 1579 CD2 LEU A 99 -9.202 2.261 5.493 1.00 1.00 C ATOM 0 H LEU A 99 -7.364 -0.264 8.607 1.00 1.00 H new ATOM 0 HA LEU A 99 -6.109 1.424 6.674 1.00 1.00 H new ATOM 0 HB2 LEU A 99 -7.355 -0.593 6.076 1.00 1.00 H new ATOM 0 HB3 LEU A 99 -8.770 -0.069 6.966 1.00 1.00 H new ATOM 0 HG LEU A 99 -7.646 1.211 4.430 1.00 1.00 H new ATOM 0 HD11 LEU A 99 -9.833 0.533 3.481 1.00 1.00 H new ATOM 0 HD12 LEU A 99 -8.939 -0.878 4.094 1.00 1.00 H new ATOM 0 HD13 LEU A 99 -10.284 -0.197 5.040 1.00 1.00 H new ATOM 0 HD21 LEU A 99 -9.584 2.755 4.599 1.00 1.00 H new ATOM 0 HD22 LEU A 99 -10.032 2.020 6.157 1.00 1.00 H new ATOM 0 HD23 LEU A 99 -8.508 2.926 6.006 1.00 1.00 H new ATOM 1591 N PHE A 100 -8.761 2.746 8.071 1.00 1.00 N ATOM 1592 CA PHE A 100 -9.467 4.050 8.214 1.00 1.00 C ATOM 1593 C PHE A 100 -8.689 4.959 9.169 1.00 1.00 C ATOM 1594 O PHE A 100 -8.828 6.165 9.145 1.00 1.00 O ATOM 1595 CB PHE A 100 -10.834 3.698 8.801 1.00 1.00 C ATOM 1596 CG PHE A 100 -11.744 3.206 7.700 1.00 1.00 C ATOM 1597 CD1 PHE A 100 -11.370 2.104 6.922 1.00 1.00 C ATOM 1598 CD2 PHE A 100 -12.961 3.854 7.456 1.00 1.00 C ATOM 1599 CE1 PHE A 100 -12.212 1.649 5.901 1.00 1.00 C ATOM 1600 CE2 PHE A 100 -13.804 3.399 6.435 1.00 1.00 C ATOM 1601 CZ PHE A 100 -13.429 2.296 5.657 1.00 1.00 C ATOM 0 H PHE A 100 -9.116 1.993 8.661 1.00 1.00 H new ATOM 0 HA PHE A 100 -9.558 4.582 7.267 1.00 1.00 H new ATOM 0 HB2 PHE A 100 -10.726 2.931 9.568 1.00 1.00 H new ATOM 0 HB3 PHE A 100 -11.270 4.572 9.284 1.00 1.00 H new ATOM 0 HD1 PHE A 100 -10.431 1.605 7.110 1.00 1.00 H new ATOM 0 HD2 PHE A 100 -13.249 4.705 8.055 1.00 1.00 H new ATOM 0 HE1 PHE A 100 -11.923 0.799 5.301 1.00 1.00 H new ATOM 0 HE2 PHE A 100 -14.743 3.898 6.247 1.00 1.00 H new ATOM 0 HZ PHE A 100 -14.079 1.945 4.869 1.00 1.00 H new ATOM 1611 N ASP A 101 -7.870 4.386 10.008 1.00 1.00 N ATOM 1612 CA ASP A 101 -7.079 5.214 10.963 1.00 1.00 C ATOM 1613 C ASP A 101 -5.879 5.835 10.246 1.00 1.00 C ATOM 1614 O ASP A 101 -5.255 6.754 10.738 1.00 1.00 O ATOM 1615 CB ASP A 101 -6.614 4.238 12.043 1.00 1.00 C ATOM 1616 CG ASP A 101 -7.797 3.868 12.941 1.00 1.00 C ATOM 1617 OD1 ASP A 101 -8.699 4.680 13.064 1.00 1.00 O ATOM 1618 OD2 ASP A 101 -7.781 2.778 13.489 1.00 1.00 O ATOM 0 H ASP A 101 -7.714 3.380 10.074 1.00 1.00 H new ATOM 0 HA ASP A 101 -7.661 6.035 11.382 1.00 1.00 H new ATOM 0 HB2 ASP A 101 -6.198 3.341 11.583 1.00 1.00 H new ATOM 0 HB3 ASP A 101 -5.819 4.689 12.638 1.00 1.00 H new ATOM 1623 N PHE A 102 -5.549 5.339 9.083 1.00 1.00 N ATOM 1624 CA PHE A 102 -4.390 5.903 8.334 1.00 1.00 C ATOM 1625 C PHE A 102 -3.912 4.915 7.268 1.00 1.00 C ATOM 1626 O PHE A 102 -3.430 3.843 7.571 1.00 1.00 O ATOM 1627 CB PHE A 102 -3.306 6.119 9.390 1.00 1.00 C ATOM 1628 CG PHE A 102 -1.945 5.938 8.761 1.00 1.00 C ATOM 1629 CD1 PHE A 102 -1.388 4.659 8.650 1.00 1.00 C ATOM 1630 CD2 PHE A 102 -1.239 7.051 8.288 1.00 1.00 C ATOM 1631 CE1 PHE A 102 -0.127 4.491 8.067 1.00 1.00 C ATOM 1632 CE2 PHE A 102 0.022 6.884 7.706 1.00 1.00 C ATOM 1633 CZ PHE A 102 0.579 5.604 7.595 1.00 1.00 C ATOM 0 H PHE A 102 -6.032 4.569 8.620 1.00 1.00 H new ATOM 0 HA PHE A 102 -4.645 6.827 7.815 1.00 1.00 H new ATOM 0 HB2 PHE A 102 -3.392 7.119 9.815 1.00 1.00 H new ATOM 0 HB3 PHE A 102 -3.436 5.412 10.210 1.00 1.00 H new ATOM 0 HD1 PHE A 102 -1.932 3.800 9.015 1.00 1.00 H new ATOM 0 HD2 PHE A 102 -1.668 8.038 8.373 1.00 1.00 H new ATOM 0 HE1 PHE A 102 0.301 3.503 7.981 1.00 1.00 H new ATOM 0 HE2 PHE A 102 0.566 7.743 7.342 1.00 1.00 H new ATOM 0 HZ PHE A 102 1.553 5.475 7.146 1.00 1.00 H new ATOM 1643 N THR A 103 -4.036 5.275 6.018 1.00 1.00 N ATOM 1644 CA THR A 103 -3.581 4.362 4.929 1.00 1.00 C ATOM 1645 C THR A 103 -2.863 5.166 3.850 1.00 1.00 C ATOM 1646 O THR A 103 -2.203 4.627 2.983 1.00 1.00 O ATOM 1647 CB THR A 103 -4.860 3.733 4.374 1.00 1.00 C ATOM 1648 OG1 THR A 103 -4.965 2.392 4.834 1.00 1.00 O ATOM 1649 CG2 THR A 103 -4.816 3.749 2.846 1.00 1.00 C ATOM 0 H THR A 103 -4.432 6.161 5.704 1.00 1.00 H new ATOM 0 HA THR A 103 -2.883 3.604 5.284 1.00 1.00 H new ATOM 0 HB THR A 103 -5.724 4.303 4.716 1.00 1.00 H new ATOM 0 HG1 THR A 103 -4.477 2.297 5.679 1.00 1.00 H new ATOM 0 HG21 THR A 103 -5.728 3.301 2.451 1.00 1.00 H new ATOM 0 HG22 THR A 103 -4.736 4.778 2.495 1.00 1.00 H new ATOM 0 HG23 THR A 103 -3.953 3.180 2.501 1.00 1.00 H new ATOM 1657 N GLN A 104 -2.991 6.457 3.905 1.00 1.00 N ATOM 1658 CA GLN A 104 -2.326 7.329 2.896 1.00 1.00 C ATOM 1659 C GLN A 104 -1.048 7.931 3.485 1.00 1.00 C ATOM 1660 O GLN A 104 -0.848 7.933 4.683 1.00 1.00 O ATOM 1661 CB GLN A 104 -3.344 8.428 2.588 1.00 1.00 C ATOM 1662 CG GLN A 104 -3.956 8.939 3.893 1.00 1.00 C ATOM 1663 CD GLN A 104 -5.423 8.511 3.971 1.00 1.00 C ATOM 1664 OE1 GLN A 104 -5.860 7.655 3.228 1.00 1.00 O ATOM 1665 NE2 GLN A 104 -6.208 9.076 4.847 1.00 1.00 N ATOM 0 H GLN A 104 -3.533 6.954 4.612 1.00 1.00 H new ATOM 0 HA GLN A 104 -2.038 6.780 1.999 1.00 1.00 H new ATOM 0 HB2 GLN A 104 -2.860 9.247 2.056 1.00 1.00 H new ATOM 0 HB3 GLN A 104 -4.126 8.041 1.935 1.00 1.00 H new ATOM 0 HG2 GLN A 104 -3.405 8.542 4.745 1.00 1.00 H new ATOM 0 HG3 GLN A 104 -3.880 10.025 3.942 1.00 1.00 H new ATOM 0 HE21 GLN A 104 -5.842 9.795 5.471 1.00 1.00 H new ATOM 0 HE22 GLN A 104 -7.188 8.799 4.908 1.00 1.00 H new ATOM 1674 N THR A 105 -0.180 8.439 2.655 1.00 1.00 N ATOM 1675 CA THR A 105 1.083 9.036 3.177 1.00 1.00 C ATOM 1676 C THR A 105 0.761 10.185 4.136 1.00 1.00 C ATOM 1677 O THR A 105 -0.106 10.997 3.878 1.00 1.00 O ATOM 1678 CB THR A 105 1.818 9.556 1.940 1.00 1.00 C ATOM 1679 OG1 THR A 105 3.218 9.405 2.125 1.00 1.00 O ATOM 1680 CG2 THR A 105 1.485 11.034 1.730 1.00 1.00 C ATOM 0 H THR A 105 -0.289 8.467 1.641 1.00 1.00 H new ATOM 0 HA THR A 105 1.685 8.316 3.732 1.00 1.00 H new ATOM 0 HB THR A 105 1.504 8.988 1.064 1.00 1.00 H new ATOM 0 HG1 THR A 105 3.690 9.736 1.333 1.00 1.00 H new ATOM 0 HG21 THR A 105 2.009 11.403 0.849 1.00 1.00 H new ATOM 0 HG22 THR A 105 0.410 11.148 1.588 1.00 1.00 H new ATOM 0 HG23 THR A 105 1.798 11.605 2.604 1.00 1.00 H new ATOM 1688 N ASP A 106 1.454 10.260 5.239 1.00 1.00 N ATOM 1689 CA ASP A 106 1.189 11.356 6.215 1.00 1.00 C ATOM 1690 C ASP A 106 2.084 12.560 5.913 1.00 1.00 C ATOM 1691 O ASP A 106 2.084 13.541 6.631 1.00 1.00 O ATOM 1692 CB ASP A 106 1.533 10.761 7.581 1.00 1.00 C ATOM 1693 CG ASP A 106 0.519 11.244 8.619 1.00 1.00 C ATOM 1694 OD1 ASP A 106 0.480 12.436 8.871 1.00 1.00 O ATOM 1695 OD2 ASP A 106 -0.203 10.411 9.144 1.00 1.00 O ATOM 0 H ASP A 106 2.193 9.610 5.507 1.00 1.00 H new ATOM 0 HA ASP A 106 0.158 11.708 6.172 1.00 1.00 H new ATOM 0 HB2 ASP A 106 1.524 9.672 7.528 1.00 1.00 H new ATOM 0 HB3 ASP A 106 2.540 11.058 7.875 1.00 1.00 H new ATOM 1700 N GLY A 107 2.853 12.491 4.862 1.00 1.00 N ATOM 1701 CA GLY A 107 3.756 13.627 4.520 1.00 1.00 C ATOM 1702 C GLY A 107 5.141 13.357 5.108 1.00 1.00 C ATOM 1703 O GLY A 107 6.116 13.983 4.743 1.00 1.00 O ATOM 0 H GLY A 107 2.896 11.696 4.224 1.00 1.00 H new ATOM 0 HA2 GLY A 107 3.822 13.742 3.438 1.00 1.00 H new ATOM 0 HA3 GLY A 107 3.354 14.560 4.916 1.00 1.00 H new ATOM 1707 N SER A 108 5.234 12.419 6.012 1.00 1.00 N ATOM 1708 CA SER A 108 6.555 12.092 6.622 1.00 1.00 C ATOM 1709 C SER A 108 7.241 10.985 5.817 1.00 1.00 C ATOM 1710 O SER A 108 6.636 10.359 4.968 1.00 1.00 O ATOM 1711 CB SER A 108 6.231 11.608 8.034 1.00 1.00 C ATOM 1712 OG SER A 108 5.853 12.719 8.836 1.00 1.00 O ATOM 0 H SER A 108 4.450 11.864 6.355 1.00 1.00 H new ATOM 0 HA SER A 108 7.232 12.946 6.633 1.00 1.00 H new ATOM 0 HB2 SER A 108 5.424 10.876 8.004 1.00 1.00 H new ATOM 0 HB3 SER A 108 7.098 11.110 8.468 1.00 1.00 H new ATOM 0 HG SER A 108 5.643 12.412 9.742 1.00 1.00 H new ATOM 1718 N ALA A 109 8.493 10.731 6.076 1.00 1.00 N ATOM 1719 CA ALA A 109 9.203 9.657 5.323 1.00 1.00 C ATOM 1720 C ALA A 109 8.222 8.538 4.960 1.00 1.00 C ATOM 1721 O ALA A 109 7.666 7.885 5.820 1.00 1.00 O ATOM 1722 CB ALA A 109 10.276 9.141 6.283 1.00 1.00 C ATOM 0 H ALA A 109 9.055 11.218 6.774 1.00 1.00 H new ATOM 0 HA ALA A 109 9.635 10.019 4.390 1.00 1.00 H new ATOM 0 HB1 ALA A 109 10.844 8.345 5.801 1.00 1.00 H new ATOM 0 HB2 ALA A 109 10.948 9.956 6.549 1.00 1.00 H new ATOM 0 HB3 ALA A 109 9.802 8.753 7.184 1.00 1.00 H new ATOM 1728 N SER A 110 8.001 8.317 3.693 1.00 1.00 N ATOM 1729 CA SER A 110 7.051 7.244 3.280 1.00 1.00 C ATOM 1730 C SER A 110 7.777 5.899 3.171 1.00 1.00 C ATOM 1731 O SER A 110 8.575 5.695 2.280 1.00 1.00 O ATOM 1732 CB SER A 110 6.529 7.683 1.912 1.00 1.00 C ATOM 1733 OG SER A 110 7.503 8.506 1.282 1.00 1.00 O ATOM 0 H SER A 110 8.436 8.831 2.927 1.00 1.00 H new ATOM 0 HA SER A 110 6.245 7.109 4.002 1.00 1.00 H new ATOM 0 HB2 SER A 110 6.317 6.811 1.293 1.00 1.00 H new ATOM 0 HB3 SER A 110 5.592 8.229 2.025 1.00 1.00 H new ATOM 0 HG SER A 110 7.174 8.789 0.403 1.00 1.00 H new ATOM 1739 N PRO A 111 7.464 5.026 4.089 1.00 1.00 N ATOM 1740 CA PRO A 111 8.089 3.680 4.102 1.00 1.00 C ATOM 1741 C PRO A 111 7.600 2.855 2.909 1.00 1.00 C ATOM 1742 O PRO A 111 6.771 3.302 2.142 1.00 1.00 O ATOM 1743 CB PRO A 111 7.609 3.065 5.416 1.00 1.00 C ATOM 1744 CG PRO A 111 6.385 3.838 5.796 1.00 1.00 C ATOM 1745 CD PRO A 111 6.513 5.209 5.188 1.00 1.00 C ATOM 0 HA PRO A 111 9.176 3.716 4.028 1.00 1.00 H new ATOM 0 HB2 PRO A 111 7.382 2.006 5.294 1.00 1.00 H new ATOM 0 HB3 PRO A 111 8.376 3.140 6.187 1.00 1.00 H new ATOM 0 HG2 PRO A 111 5.487 3.339 5.432 1.00 1.00 H new ATOM 0 HG3 PRO A 111 6.295 3.906 6.880 1.00 1.00 H new ATOM 0 HD2 PRO A 111 5.552 5.576 4.827 1.00 1.00 H new ATOM 0 HD3 PRO A 111 6.879 5.935 5.915 1.00 1.00 H new ATOM 1753 N PRO A 112 8.137 1.671 2.794 1.00 1.00 N ATOM 1754 CA PRO A 112 7.755 0.765 1.682 1.00 1.00 C ATOM 1755 C PRO A 112 6.284 0.357 1.807 1.00 1.00 C ATOM 1756 O PRO A 112 5.730 0.352 2.889 1.00 1.00 O ATOM 1757 CB PRO A 112 8.669 -0.448 1.857 1.00 1.00 C ATOM 1758 CG PRO A 112 9.174 -0.373 3.264 1.00 1.00 C ATOM 1759 CD PRO A 112 9.138 1.073 3.679 1.00 1.00 C ATOM 0 HA PRO A 112 7.864 1.231 0.703 1.00 1.00 H new ATOM 0 HB2 PRO A 112 8.125 -1.377 1.685 1.00 1.00 H new ATOM 0 HB3 PRO A 112 9.493 -0.424 1.143 1.00 1.00 H new ATOM 0 HG2 PRO A 112 8.555 -0.978 3.927 1.00 1.00 H new ATOM 0 HG3 PRO A 112 10.189 -0.766 3.329 1.00 1.00 H new ATOM 0 HD2 PRO A 112 8.859 1.181 4.727 1.00 1.00 H new ATOM 0 HD3 PRO A 112 10.112 1.547 3.558 1.00 1.00 H new ATOM 1767 N PRO A 113 5.700 0.029 0.685 1.00 1.00 N ATOM 1768 CA PRO A 113 4.276 -0.387 0.659 1.00 1.00 C ATOM 1769 C PRO A 113 4.094 -1.714 1.401 1.00 1.00 C ATOM 1770 O PRO A 113 3.328 -1.815 2.337 1.00 1.00 O ATOM 1771 CB PRO A 113 3.965 -0.553 -0.827 1.00 1.00 C ATOM 1772 CG PRO A 113 5.293 -0.693 -1.503 1.00 1.00 C ATOM 1773 CD PRO A 113 6.309 0.015 -0.647 1.00 1.00 C ATOM 0 HA PRO A 113 3.617 0.332 1.146 1.00 1.00 H new ATOM 0 HB2 PRO A 113 3.342 -1.430 -1.001 1.00 1.00 H new ATOM 0 HB3 PRO A 113 3.418 0.308 -1.212 1.00 1.00 H new ATOM 0 HG2 PRO A 113 5.555 -1.744 -1.620 1.00 1.00 H new ATOM 0 HG3 PRO A 113 5.263 -0.259 -2.502 1.00 1.00 H new ATOM 0 HD2 PRO A 113 7.264 -0.510 -0.644 1.00 1.00 H new ATOM 0 HD3 PRO A 113 6.502 1.025 -1.009 1.00 1.00 H new ATOM 1781 N ALA A 114 4.797 -2.729 0.986 1.00 1.00 N ATOM 1782 CA ALA A 114 4.672 -4.052 1.661 1.00 1.00 C ATOM 1783 C ALA A 114 5.159 -3.954 3.109 1.00 1.00 C ATOM 1784 O ALA A 114 5.704 -2.948 3.515 1.00 1.00 O ATOM 1785 CB ALA A 114 5.567 -4.993 0.855 1.00 1.00 C ATOM 0 H ALA A 114 5.455 -2.701 0.207 1.00 1.00 H new ATOM 0 HA ALA A 114 3.641 -4.403 1.697 1.00 1.00 H new ATOM 0 HB1 ALA A 114 5.530 -5.992 1.290 1.00 1.00 H new ATOM 0 HB2 ALA A 114 5.217 -5.033 -0.177 1.00 1.00 H new ATOM 0 HB3 ALA A 114 6.593 -4.626 0.876 1.00 1.00 H new ATOM 1791 N PRO A 115 4.944 -5.013 3.841 1.00 1.00 N ATOM 1792 CA PRO A 115 5.365 -5.055 5.263 1.00 1.00 C ATOM 1793 C PRO A 115 6.867 -4.776 5.380 1.00 1.00 C ATOM 1794 O PRO A 115 7.622 -4.990 4.452 1.00 1.00 O ATOM 1795 CB PRO A 115 5.043 -6.481 5.706 1.00 1.00 C ATOM 1796 CG PRO A 115 4.061 -7.001 4.703 1.00 1.00 C ATOM 1797 CD PRO A 115 4.295 -6.256 3.417 1.00 1.00 C ATOM 0 HA PRO A 115 4.862 -4.307 5.876 1.00 1.00 H new ATOM 0 HB2 PRO A 115 5.942 -7.097 5.730 1.00 1.00 H new ATOM 0 HB3 PRO A 115 4.621 -6.494 6.711 1.00 1.00 H new ATOM 0 HG2 PRO A 115 4.194 -8.073 4.555 1.00 1.00 H new ATOM 0 HG3 PRO A 115 3.039 -6.852 5.053 1.00 1.00 H new ATOM 0 HD2 PRO A 115 4.928 -6.825 2.736 1.00 1.00 H new ATOM 0 HD3 PRO A 115 3.359 -6.059 2.894 1.00 1.00 H new ATOM 1805 N LYS A 116 7.305 -4.303 6.514 1.00 1.00 N ATOM 1806 CA LYS A 116 8.759 -4.014 6.688 1.00 1.00 C ATOM 1807 C LYS A 116 9.591 -4.964 5.822 1.00 1.00 C ATOM 1808 O LYS A 116 9.757 -6.124 6.142 1.00 1.00 O ATOM 1809 CB LYS A 116 9.035 -4.255 8.171 1.00 1.00 C ATOM 1810 CG LYS A 116 7.888 -3.683 9.006 1.00 1.00 C ATOM 1811 CD LYS A 116 8.388 -2.478 9.804 1.00 1.00 C ATOM 1812 CE LYS A 116 9.269 -2.960 10.959 1.00 1.00 C ATOM 1813 NZ LYS A 116 9.199 -4.446 10.903 1.00 1.00 N ATOM 0 H LYS A 116 6.722 -4.104 7.327 1.00 1.00 H new ATOM 0 HA LYS A 116 9.020 -3.000 6.387 1.00 1.00 H new ATOM 0 HB2 LYS A 116 9.141 -5.323 8.363 1.00 1.00 H new ATOM 0 HB3 LYS A 116 9.976 -3.785 8.457 1.00 1.00 H new ATOM 0 HG2 LYS A 116 7.065 -3.386 8.357 1.00 1.00 H new ATOM 0 HG3 LYS A 116 7.501 -4.445 9.682 1.00 1.00 H new ATOM 0 HD2 LYS A 116 8.954 -1.809 9.156 1.00 1.00 H new ATOM 0 HD3 LYS A 116 7.543 -1.908 10.191 1.00 1.00 H new ATOM 0 HE2 LYS A 116 10.295 -2.609 10.846 1.00 1.00 H new ATOM 0 HE3 LYS A 116 8.907 -2.584 11.916 1.00 1.00 H new ATOM 0 HZ1 LYS A 116 9.589 -4.845 11.780 1.00 1.00 H new ATOM 0 HZ2 LYS A 116 8.208 -4.743 10.798 1.00 1.00 H new ATOM 0 HZ3 LYS A 116 9.751 -4.789 10.091 1.00 1.00 H new ATOM 1826 N HIS A 117 10.116 -4.481 4.730 1.00 1.00 N ATOM 1827 CA HIS A 117 10.936 -5.357 3.846 1.00 1.00 C ATOM 1828 C HIS A 117 12.308 -4.725 3.597 1.00 1.00 C ATOM 1829 O HIS A 117 12.411 -3.593 3.166 1.00 1.00 O ATOM 1830 CB HIS A 117 10.145 -5.453 2.542 1.00 1.00 C ATOM 1831 CG HIS A 117 11.096 -5.605 1.388 1.00 1.00 C ATOM 1832 ND1 HIS A 117 10.685 -5.484 0.069 1.00 1.00 N ATOM 1833 CD2 HIS A 117 12.443 -5.868 1.337 1.00 1.00 C ATOM 1834 CE1 HIS A 117 11.764 -5.672 -0.711 1.00 1.00 C ATOM 1835 NE2 HIS A 117 12.863 -5.910 0.011 1.00 1.00 N ATOM 0 H HIS A 117 10.013 -3.518 4.411 1.00 1.00 H new ATOM 0 HA HIS A 117 11.115 -6.337 4.288 1.00 1.00 H new ATOM 0 HB2 HIS A 117 9.463 -6.303 2.580 1.00 1.00 H new ATOM 0 HB3 HIS A 117 9.534 -4.560 2.408 1.00 1.00 H new ATOM 0 HD2 HIS A 117 13.080 -6.019 2.196 1.00 1.00 H new ATOM 0 HE1 HIS A 117 11.745 -5.635 -1.790 1.00 1.00 H new ATOM 0 HE2 HIS A 117 13.806 -6.085 -0.335 1.00 1.00 H new ATOM 1843 N HIS A 118 13.362 -5.447 3.864 1.00 1.00 N ATOM 1844 CA HIS A 118 14.726 -4.888 3.641 1.00 1.00 C ATOM 1845 C HIS A 118 14.855 -4.356 2.212 1.00 1.00 C ATOM 1846 O HIS A 118 14.564 -5.046 1.254 1.00 1.00 O ATOM 1847 CB HIS A 118 15.678 -6.064 3.863 1.00 1.00 C ATOM 1848 CG HIS A 118 16.938 -5.572 4.520 1.00 1.00 C ATOM 1849 ND1 HIS A 118 18.065 -6.370 4.647 1.00 1.00 N ATOM 1850 CD2 HIS A 118 17.265 -4.369 5.093 1.00 1.00 C ATOM 1851 CE1 HIS A 118 19.008 -5.643 5.273 1.00 1.00 C ATOM 1852 NE2 HIS A 118 18.573 -4.415 5.567 1.00 1.00 N ATOM 0 H HIS A 118 13.338 -6.400 4.227 1.00 1.00 H new ATOM 0 HA HIS A 118 14.944 -4.055 4.310 1.00 1.00 H new ATOM 0 HB2 HIS A 118 15.201 -6.819 4.487 1.00 1.00 H new ATOM 0 HB3 HIS A 118 15.913 -6.540 2.911 1.00 1.00 H new ATOM 0 HD2 HIS A 118 16.607 -3.516 5.165 1.00 1.00 H new ATOM 0 HE1 HIS A 118 19.997 -6.008 5.509 1.00 1.00 H new ATOM 0 HE2 HIS A 118 19.088 -3.671 6.038 1.00 1.00 H new ATOM 1860 N HIS A 119 15.285 -3.134 2.060 1.00 1.00 N ATOM 1861 CA HIS A 119 15.431 -2.559 0.692 1.00 1.00 C ATOM 1862 C HIS A 119 16.543 -3.281 -0.073 1.00 1.00 C ATOM 1863 O HIS A 119 17.457 -3.829 0.513 1.00 1.00 O ATOM 1864 CB HIS A 119 15.800 -1.091 0.916 1.00 1.00 C ATOM 1865 CG HIS A 119 15.322 -0.271 -0.250 1.00 1.00 C ATOM 1866 ND1 HIS A 119 15.870 0.964 -0.561 1.00 1.00 N ATOM 1867 CD2 HIS A 119 14.349 -0.496 -1.193 1.00 1.00 C ATOM 1868 CE1 HIS A 119 15.228 1.431 -1.648 1.00 1.00 C ATOM 1869 NE2 HIS A 119 14.291 0.579 -2.074 1.00 1.00 N ATOM 0 H HIS A 119 15.542 -2.508 2.823 1.00 1.00 H new ATOM 0 HA HIS A 119 14.521 -2.666 0.102 1.00 1.00 H new ATOM 0 HB2 HIS A 119 15.348 -0.728 1.839 1.00 1.00 H new ATOM 0 HB3 HIS A 119 16.879 -0.989 1.028 1.00 1.00 H new ATOM 0 HD2 HIS A 119 13.723 -1.375 -1.243 1.00 1.00 H new ATOM 0 HE1 HIS A 119 15.444 2.379 -2.118 1.00 1.00 H new ATOM 0 HE2 HIS A 119 13.667 0.692 -2.873 1.00 1.00 H new ATOM 1877 N ALA A 120 16.475 -3.286 -1.375 1.00 1.00 N ATOM 1878 CA ALA A 120 17.529 -3.972 -2.176 1.00 1.00 C ATOM 1879 C ALA A 120 18.852 -3.209 -2.073 1.00 1.00 C ATOM 1880 O ALA A 120 18.875 -2.010 -1.880 1.00 1.00 O ATOM 1881 CB ALA A 120 17.009 -3.953 -3.614 1.00 1.00 C ATOM 0 H ALA A 120 15.735 -2.844 -1.920 1.00 1.00 H new ATOM 0 HA ALA A 120 17.720 -4.986 -1.825 1.00 1.00 H new ATOM 0 HB1 ALA A 120 17.731 -4.441 -4.268 1.00 1.00 H new ATOM 0 HB2 ALA A 120 16.058 -4.483 -3.664 1.00 1.00 H new ATOM 0 HB3 ALA A 120 16.867 -2.921 -3.936 1.00 1.00 H new ATOM 1887 N SER A 121 19.955 -3.895 -2.201 1.00 1.00 N ATOM 1888 CA SER A 121 21.275 -3.208 -2.109 1.00 1.00 C ATOM 1889 C SER A 121 21.951 -3.174 -3.482 1.00 1.00 C ATOM 1890 O SER A 121 21.996 -4.164 -4.186 1.00 1.00 O ATOM 1891 CB SER A 121 22.092 -4.049 -1.129 1.00 1.00 C ATOM 1892 OG SER A 121 22.761 -5.081 -1.841 1.00 1.00 O ATOM 0 H SER A 121 19.999 -4.901 -2.365 1.00 1.00 H new ATOM 0 HA SER A 121 21.180 -2.174 -1.777 1.00 1.00 H new ATOM 0 HB2 SER A 121 22.816 -3.422 -0.609 1.00 1.00 H new ATOM 0 HB3 SER A 121 21.440 -4.479 -0.369 1.00 1.00 H new ATOM 0 HG SER A 121 22.357 -5.181 -2.728 1.00 1.00 H new ATOM 1898 N LYS A 122 22.478 -2.044 -3.868 1.00 1.00 N ATOM 1899 CA LYS A 122 23.150 -1.949 -5.196 1.00 1.00 C ATOM 1900 C LYS A 122 24.654 -1.729 -5.010 1.00 1.00 C ATOM 1901 O LYS A 122 25.084 -1.057 -4.093 1.00 1.00 O ATOM 1902 CB LYS A 122 22.511 -0.739 -5.877 1.00 1.00 C ATOM 1903 CG LYS A 122 23.019 -0.633 -7.316 1.00 1.00 C ATOM 1904 CD LYS A 122 22.896 0.813 -7.798 1.00 1.00 C ATOM 1905 CE LYS A 122 22.058 0.857 -9.079 1.00 1.00 C ATOM 1906 NZ LYS A 122 21.680 2.289 -9.240 1.00 1.00 N ATOM 0 H LYS A 122 22.472 -1.183 -3.322 1.00 1.00 H new ATOM 0 HA LYS A 122 23.032 -2.858 -5.786 1.00 1.00 H new ATOM 0 HB2 LYS A 122 21.425 -0.836 -5.870 1.00 1.00 H new ATOM 0 HB3 LYS A 122 22.753 0.170 -5.327 1.00 1.00 H new ATOM 0 HG2 LYS A 122 24.058 -0.958 -7.370 1.00 1.00 H new ATOM 0 HG3 LYS A 122 22.444 -1.294 -7.965 1.00 1.00 H new ATOM 0 HD2 LYS A 122 22.431 1.426 -7.026 1.00 1.00 H new ATOM 0 HD3 LYS A 122 23.886 1.231 -7.984 1.00 1.00 H new ATOM 0 HE2 LYS A 122 22.628 0.500 -9.937 1.00 1.00 H new ATOM 0 HE3 LYS A 122 21.176 0.222 -8.996 1.00 1.00 H new ATOM 0 HZ1 LYS A 122 21.103 2.401 -10.098 1.00 1.00 H new ATOM 0 HZ2 LYS A 122 21.133 2.599 -8.412 1.00 1.00 H new ATOM 0 HZ3 LYS A 122 22.540 2.868 -9.323 1.00 1.00 H new ATOM 1919 N VAL A 123 25.456 -2.287 -5.874 1.00 1.00 N ATOM 1920 CA VAL A 123 26.931 -2.109 -5.745 1.00 1.00 C ATOM 1921 C VAL A 123 27.456 -1.215 -6.872 1.00 1.00 C ATOM 1922 O VAL A 123 26.978 -1.261 -7.988 1.00 1.00 O ATOM 1923 CB VAL A 123 27.512 -3.517 -5.865 1.00 1.00 C ATOM 1924 CG1 VAL A 123 26.538 -4.408 -6.637 1.00 1.00 C ATOM 1925 CG2 VAL A 123 28.847 -3.455 -6.612 1.00 1.00 C ATOM 0 H VAL A 123 25.155 -2.858 -6.664 1.00 1.00 H new ATOM 0 HA VAL A 123 27.208 -1.632 -4.805 1.00 1.00 H new ATOM 0 HB VAL A 123 27.670 -3.930 -4.869 1.00 1.00 H new ATOM 0 HG11 VAL A 123 26.953 -5.412 -6.722 1.00 1.00 H new ATOM 0 HG12 VAL A 123 25.587 -4.452 -6.107 1.00 1.00 H new ATOM 0 HG13 VAL A 123 26.379 -3.995 -7.633 1.00 1.00 H new ATOM 0 HG21 VAL A 123 29.263 -4.459 -6.698 1.00 1.00 H new ATOM 0 HG22 VAL A 123 28.688 -3.041 -7.608 1.00 1.00 H new ATOM 0 HG23 VAL A 123 29.542 -2.820 -6.062 1.00 1.00 H new ATOM 1935 N ASP A 124 28.437 -0.402 -6.588 1.00 1.00 N ATOM 1936 CA ASP A 124 28.992 0.494 -7.643 1.00 1.00 C ATOM 1937 C ASP A 124 29.715 -0.331 -8.711 1.00 1.00 C ATOM 1938 O ASP A 124 29.096 -1.226 -9.260 1.00 1.00 O ATOM 1939 CB ASP A 124 29.976 1.407 -6.912 1.00 1.00 C ATOM 1940 CG ASP A 124 29.664 2.867 -7.247 1.00 1.00 C ATOM 1941 OD1 ASP A 124 28.539 3.278 -7.022 1.00 1.00 O ATOM 1942 OD2 ASP A 124 30.557 3.548 -7.723 1.00 1.00 O ATOM 0 H ASP A 124 28.878 -0.319 -5.672 1.00 1.00 H new ATOM 0 HA ASP A 124 28.214 1.061 -8.154 1.00 1.00 H new ATOM 0 HB2 ASP A 124 29.906 1.247 -5.836 1.00 1.00 H new ATOM 0 HB3 ASP A 124 30.998 1.166 -7.205 1.00 1.00 H new TER 1947 ASP A 124