USER MOD reduce.3.24.130724 H: found=0, std=0, add=694, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 696 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 60 SER OG : rot 180:sc= 0.293 USER MOD Set 1.2: A 63 THR OG1 : rot 104:sc= 0.259 USER MOD Single : A 3 GLN : amide:sc= -0.0862 X(o=-0.086,f=-0.086) USER MOD Single : A 5 GLN : amide:sc= 0 X(o=0,f=-0.37) USER MOD Single : A 6 TYR OH : rot 130:sc= 0 USER MOD Single : A 7 THR OG1 : rot 102:sc= 0.0299 USER MOD Single : A 9 ASN : amide:sc= -1.14 K(o=-1.1,f=-2.6!) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ -135:sc=-0.00061 (180deg=-0.232) USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 TYR OH : rot 165:sc= -4.25! USER MOD Single : A 41 ASN : amide:sc= -2.1 K(o=-2.1,f=-3.4!) USER MOD Single : A 44 THR OG1 : rot 180:sc= -0.0106 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 66 ASN : amide:sc= -0.117 X(o=-0.12,f=-0.25) USER MOD Single : A 69 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 GLN : amide:sc= 0.00714 X(o=0.0071,f=0) USER MOD Single : A 80 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 83 SER OG : rot 180:sc= 0.0398 USER MOD Single : A 86 ASN : amide:sc= -0.559 K(o=-0.56,f=-4.1!) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 90 LYS NZ :NH3+ -138:sc=-0.00496 (180deg=-0.158) USER MOD Single : A 93 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 94 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 95 ASN :FLIP amide:sc= 0 F(o=-1.1,f=0) USER MOD ----------------------------------------------------------------- ATOM 31 N GLN A 3 -5.434 5.469 -15.945 1.00 0.00 N ATOM 32 CA GLN A 3 -5.876 4.314 -15.104 1.00 0.00 C ATOM 33 C GLN A 3 -6.184 4.786 -13.674 1.00 0.00 C ATOM 34 O GLN A 3 -5.373 4.628 -12.781 1.00 0.00 O ATOM 35 CB GLN A 3 -4.694 3.341 -15.107 1.00 0.00 C ATOM 36 CG GLN A 3 -4.947 2.222 -16.120 1.00 0.00 C ATOM 37 CD GLN A 3 -4.982 2.810 -17.536 1.00 0.00 C ATOM 38 OE1 GLN A 3 -3.952 2.971 -18.160 1.00 0.00 O ATOM 39 NE2 GLN A 3 -6.129 3.141 -18.078 1.00 0.00 N ATOM 0 HA GLN A 3 -6.784 3.849 -15.487 1.00 0.00 H new ATOM 0 HB2 GLN A 3 -3.775 3.871 -15.359 1.00 0.00 H new ATOM 0 HB3 GLN A 3 -4.556 2.919 -14.112 1.00 0.00 H new ATOM 0 HG2 GLN A 3 -4.163 1.468 -16.048 1.00 0.00 H new ATOM 0 HG3 GLN A 3 -5.891 1.723 -15.899 1.00 0.00 H new ATOM 0 HE21 GLN A 3 -6.996 3.008 -17.558 1.00 0.00 H new ATOM 0 HE22 GLN A 3 -6.154 3.532 -19.020 1.00 0.00 H new ATOM 48 N GLU A 4 -7.350 5.357 -13.446 1.00 0.00 N ATOM 49 CA GLU A 4 -7.693 5.824 -12.059 1.00 0.00 C ATOM 50 C GLU A 4 -8.481 4.736 -11.316 1.00 0.00 C ATOM 51 O GLU A 4 -8.270 4.517 -10.138 1.00 0.00 O ATOM 52 CB GLU A 4 -8.545 7.089 -12.230 1.00 0.00 C ATOM 53 CG GLU A 4 -7.646 8.259 -12.635 1.00 0.00 C ATOM 54 CD GLU A 4 -8.227 9.562 -12.085 1.00 0.00 C ATOM 55 OE1 GLU A 4 -8.478 9.620 -10.892 1.00 0.00 O ATOM 56 OE2 GLU A 4 -8.410 10.483 -12.866 1.00 0.00 O ATOM 0 H GLU A 4 -8.069 5.518 -14.151 1.00 0.00 H new ATOM 0 HA GLU A 4 -6.798 6.032 -11.473 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -9.310 6.925 -12.989 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -9.063 7.320 -11.299 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -6.638 8.107 -12.250 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -7.568 8.313 -13.721 1.00 0.00 H new ATOM 63 N GLN A 5 -9.381 4.038 -11.988 1.00 0.00 N ATOM 64 CA GLN A 5 -10.158 2.950 -11.283 1.00 0.00 C ATOM 65 C GLN A 5 -9.180 1.969 -10.608 1.00 0.00 C ATOM 66 O GLN A 5 -9.422 1.510 -9.507 1.00 0.00 O ATOM 67 CB GLN A 5 -11.019 2.235 -12.347 1.00 0.00 C ATOM 68 CG GLN A 5 -10.128 1.555 -13.393 1.00 0.00 C ATOM 69 CD GLN A 5 -11.006 0.826 -14.417 1.00 0.00 C ATOM 70 OE1 GLN A 5 -11.935 0.135 -14.047 1.00 0.00 O ATOM 71 NE2 GLN A 5 -10.755 0.945 -15.698 1.00 0.00 N ATOM 0 H GLN A 5 -9.608 4.170 -12.974 1.00 0.00 H new ATOM 0 HA GLN A 5 -10.800 3.362 -10.504 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -11.658 1.493 -11.868 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -11.677 2.955 -12.834 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -9.506 2.297 -13.894 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -9.454 0.849 -12.908 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -9.977 1.524 -16.014 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -11.338 0.459 -16.379 1.00 0.00 H new ATOM 80 N TYR A 6 -8.059 1.683 -11.240 1.00 0.00 N ATOM 81 CA TYR A 6 -7.054 0.774 -10.591 1.00 0.00 C ATOM 82 C TYR A 6 -6.339 1.553 -9.478 1.00 0.00 C ATOM 83 O TYR A 6 -6.040 1.014 -8.431 1.00 0.00 O ATOM 84 CB TYR A 6 -6.045 0.368 -11.679 1.00 0.00 C ATOM 85 CG TYR A 6 -6.662 -0.659 -12.596 1.00 0.00 C ATOM 86 CD1 TYR A 6 -7.388 -0.247 -13.721 1.00 0.00 C ATOM 87 CD2 TYR A 6 -6.503 -2.023 -12.327 1.00 0.00 C ATOM 88 CE1 TYR A 6 -7.956 -1.200 -14.574 1.00 0.00 C ATOM 89 CE2 TYR A 6 -7.068 -2.976 -13.180 1.00 0.00 C ATOM 90 CZ TYR A 6 -7.796 -2.565 -14.304 1.00 0.00 C ATOM 91 OH TYR A 6 -8.354 -3.505 -15.146 1.00 0.00 O ATOM 0 H TYR A 6 -7.801 2.034 -12.162 1.00 0.00 H new ATOM 0 HA TYR A 6 -7.525 -0.109 -10.160 1.00 0.00 H new ATOM 0 HB2 TYR A 6 -5.743 1.245 -12.252 1.00 0.00 H new ATOM 0 HB3 TYR A 6 -5.144 -0.038 -11.218 1.00 0.00 H new ATOM 0 HD1 TYR A 6 -7.509 0.806 -13.930 1.00 0.00 H new ATOM 0 HD2 TYR A 6 -5.943 -2.340 -11.460 1.00 0.00 H new ATOM 0 HE1 TYR A 6 -8.518 -0.883 -15.440 1.00 0.00 H new ATOM 0 HE2 TYR A 6 -6.943 -4.028 -12.972 1.00 0.00 H new ATOM 0 HH TYR A 6 -7.676 -4.169 -15.391 1.00 0.00 H new ATOM 101 N THR A 7 -6.070 2.828 -9.695 1.00 0.00 N ATOM 102 CA THR A 7 -5.381 3.641 -8.635 1.00 0.00 C ATOM 103 C THR A 7 -6.302 3.793 -7.414 1.00 0.00 C ATOM 104 O THR A 7 -5.853 3.711 -6.285 1.00 0.00 O ATOM 105 CB THR A 7 -5.086 5.017 -9.268 1.00 0.00 C ATOM 106 OG1 THR A 7 -4.175 4.850 -10.346 1.00 0.00 O ATOM 107 CG2 THR A 7 -4.482 5.977 -8.236 1.00 0.00 C ATOM 0 H THR A 7 -6.296 3.333 -10.552 1.00 0.00 H new ATOM 0 HA THR A 7 -4.462 3.164 -8.295 1.00 0.00 H new ATOM 0 HB THR A 7 -6.023 5.442 -9.628 1.00 0.00 H new ATOM 0 HG1 THR A 7 -4.663 4.888 -11.195 1.00 0.00 H new ATOM 0 HG21 THR A 7 -4.283 6.940 -8.707 1.00 0.00 H new ATOM 0 HG22 THR A 7 -5.183 6.114 -7.412 1.00 0.00 H new ATOM 0 HG23 THR A 7 -3.550 5.561 -7.854 1.00 0.00 H new ATOM 115 N GLU A 8 -7.584 4.012 -7.625 1.00 0.00 N ATOM 116 CA GLU A 8 -8.510 4.161 -6.447 1.00 0.00 C ATOM 117 C GLU A 8 -8.670 2.810 -5.744 1.00 0.00 C ATOM 118 O GLU A 8 -8.671 2.741 -4.529 1.00 0.00 O ATOM 119 CB GLU A 8 -9.861 4.649 -6.995 1.00 0.00 C ATOM 120 CG GLU A 8 -10.708 5.200 -5.845 1.00 0.00 C ATOM 121 CD GLU A 8 -10.445 6.699 -5.688 1.00 0.00 C ATOM 122 OE1 GLU A 8 -9.300 7.060 -5.471 1.00 0.00 O ATOM 123 OE2 GLU A 8 -11.393 7.460 -5.788 1.00 0.00 O ATOM 0 H GLU A 8 -8.023 4.093 -8.542 1.00 0.00 H new ATOM 0 HA GLU A 8 -8.116 4.871 -5.720 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -9.703 5.422 -7.747 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -10.384 3.829 -7.486 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -11.766 5.025 -6.042 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -10.466 4.679 -4.919 1.00 0.00 H new ATOM 130 N ASN A 9 -8.778 1.732 -6.491 1.00 0.00 N ATOM 131 CA ASN A 9 -8.905 0.389 -5.829 1.00 0.00 C ATOM 132 C ASN A 9 -7.535 -0.033 -5.283 1.00 0.00 C ATOM 133 O ASN A 9 -7.442 -0.604 -4.212 1.00 0.00 O ATOM 134 CB ASN A 9 -9.391 -0.597 -6.903 1.00 0.00 C ATOM 135 CG ASN A 9 -10.829 -0.248 -7.304 1.00 0.00 C ATOM 136 OD1 ASN A 9 -11.087 0.839 -7.781 1.00 0.00 O ATOM 137 ND2 ASN A 9 -11.787 -1.127 -7.133 1.00 0.00 N ATOM 0 H ASN A 9 -8.784 1.722 -7.511 1.00 0.00 H new ATOM 0 HA ASN A 9 -9.608 0.413 -4.996 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -8.738 -0.553 -7.775 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -9.346 -1.617 -6.522 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -12.744 -0.897 -7.400 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -11.575 -2.041 -6.733 1.00 0.00 H new ATOM 144 N LEU A 10 -6.466 0.261 -5.997 1.00 0.00 N ATOM 145 CA LEU A 10 -5.104 -0.112 -5.482 1.00 0.00 C ATOM 146 C LEU A 10 -4.783 0.717 -4.229 1.00 0.00 C ATOM 147 O LEU A 10 -4.188 0.217 -3.293 1.00 0.00 O ATOM 148 CB LEU A 10 -4.099 0.202 -6.600 1.00 0.00 C ATOM 149 CG LEU A 10 -2.698 -0.226 -6.163 1.00 0.00 C ATOM 150 CD1 LEU A 10 -2.653 -1.747 -6.012 1.00 0.00 C ATOM 151 CD2 LEU A 10 -1.680 0.213 -7.215 1.00 0.00 C ATOM 0 H LEU A 10 -6.477 0.736 -6.900 1.00 0.00 H new ATOM 0 HA LEU A 10 -5.059 -1.167 -5.211 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -4.381 -0.320 -7.514 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -4.111 1.268 -6.825 1.00 0.00 H new ATOM 0 HG LEU A 10 -2.457 0.240 -5.208 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -1.654 -2.052 -5.700 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -3.379 -2.060 -5.261 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -2.894 -2.215 -6.967 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -0.681 -0.092 -6.904 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -1.920 -0.253 -8.171 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -1.712 1.297 -7.322 1.00 0.00 H new ATOM 163 N LYS A 11 -5.178 1.977 -4.195 1.00 0.00 N ATOM 164 CA LYS A 11 -4.884 2.812 -2.974 1.00 0.00 C ATOM 165 C LYS A 11 -5.519 2.178 -1.726 1.00 0.00 C ATOM 166 O LYS A 11 -4.972 2.274 -0.643 1.00 0.00 O ATOM 167 CB LYS A 11 -5.484 4.203 -3.228 1.00 0.00 C ATOM 168 CG LYS A 11 -5.104 5.140 -2.079 1.00 0.00 C ATOM 169 CD LYS A 11 -6.077 6.319 -2.037 1.00 0.00 C ATOM 170 CE LYS A 11 -7.392 5.873 -1.393 1.00 0.00 C ATOM 171 NZ LYS A 11 -7.866 7.058 -0.626 1.00 0.00 N ATOM 0 H LYS A 11 -5.681 2.455 -4.943 1.00 0.00 H new ATOM 0 HA LYS A 11 -3.810 2.877 -2.799 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -5.117 4.602 -4.174 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -6.569 4.133 -3.311 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -5.129 4.600 -1.132 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -4.084 5.501 -2.213 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -5.643 7.142 -1.470 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -6.261 6.689 -3.046 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -8.120 5.574 -2.148 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -7.240 5.014 -0.739 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -8.765 6.830 -0.155 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -7.156 7.315 0.089 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -8.009 7.858 -1.276 1.00 0.00 H new ATOM 185 N VAL A 12 -6.657 1.522 -1.859 1.00 0.00 N ATOM 186 CA VAL A 12 -7.285 0.885 -0.649 1.00 0.00 C ATOM 187 C VAL A 12 -6.504 -0.383 -0.287 1.00 0.00 C ATOM 188 O VAL A 12 -6.208 -0.624 0.869 1.00 0.00 O ATOM 189 CB VAL A 12 -8.733 0.541 -1.032 1.00 0.00 C ATOM 190 CG1 VAL A 12 -9.426 -0.162 0.138 1.00 0.00 C ATOM 191 CG2 VAL A 12 -9.488 1.828 -1.371 1.00 0.00 C ATOM 0 H VAL A 12 -7.168 1.402 -2.734 1.00 0.00 H new ATOM 0 HA VAL A 12 -7.269 1.549 0.215 1.00 0.00 H new ATOM 0 HB VAL A 12 -8.729 -0.121 -1.898 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -10.452 -0.404 -0.139 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -8.890 -1.080 0.380 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -9.430 0.496 1.007 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -10.515 1.586 -1.643 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -9.488 2.489 -0.504 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -8.999 2.327 -2.208 1.00 0.00 H new ATOM 201 N ILE A 13 -6.156 -1.189 -1.265 1.00 0.00 N ATOM 202 CA ILE A 13 -5.375 -2.436 -0.956 1.00 0.00 C ATOM 203 C ILE A 13 -3.975 -2.057 -0.442 1.00 0.00 C ATOM 204 O ILE A 13 -3.438 -2.718 0.428 1.00 0.00 O ATOM 205 CB ILE A 13 -5.287 -3.242 -2.266 1.00 0.00 C ATOM 206 CG1 ILE A 13 -6.708 -3.606 -2.732 1.00 0.00 C ATOM 207 CG2 ILE A 13 -4.482 -4.524 -2.034 1.00 0.00 C ATOM 208 CD1 ILE A 13 -6.831 -3.401 -4.245 1.00 0.00 C ATOM 0 H ILE A 13 -6.374 -1.042 -2.250 1.00 0.00 H new ATOM 0 HA ILE A 13 -5.856 -3.030 -0.179 1.00 0.00 H new ATOM 0 HB ILE A 13 -4.791 -2.642 -3.029 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -6.929 -4.643 -2.478 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -7.440 -2.988 -2.212 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -4.423 -5.090 -2.964 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -3.476 -4.267 -1.701 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -4.973 -5.129 -1.272 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -7.840 -3.661 -4.567 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -6.630 -2.358 -4.488 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -6.111 -4.038 -4.758 1.00 0.00 H new ATOM 220 N VAL A 14 -3.383 -0.993 -0.954 1.00 0.00 N ATOM 221 CA VAL A 14 -2.022 -0.592 -0.451 1.00 0.00 C ATOM 222 C VAL A 14 -2.140 -0.140 1.013 1.00 0.00 C ATOM 223 O VAL A 14 -1.308 -0.478 1.836 1.00 0.00 O ATOM 224 CB VAL A 14 -1.542 0.571 -1.336 1.00 0.00 C ATOM 225 CG1 VAL A 14 -0.145 1.013 -0.890 1.00 0.00 C ATOM 226 CG2 VAL A 14 -1.492 0.116 -2.798 1.00 0.00 C ATOM 0 H VAL A 14 -3.775 -0.397 -1.683 1.00 0.00 H new ATOM 0 HA VAL A 14 -1.315 -1.420 -0.497 1.00 0.00 H new ATOM 0 HB VAL A 14 -2.234 1.407 -1.240 1.00 0.00 H new ATOM 0 HG11 VAL A 14 0.194 1.837 -1.518 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -0.181 1.340 0.149 1.00 0.00 H new ATOM 0 HG13 VAL A 14 0.548 0.177 -0.983 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -1.152 0.941 -3.424 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -0.802 -0.722 -2.895 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -2.487 -0.195 -3.117 1.00 0.00 H new ATOM 236 N ALA A 15 -3.172 0.611 1.351 1.00 0.00 N ATOM 237 CA ALA A 15 -3.327 1.061 2.782 1.00 0.00 C ATOM 238 C ALA A 15 -3.464 -0.163 3.707 1.00 0.00 C ATOM 239 O ALA A 15 -2.990 -0.146 4.828 1.00 0.00 O ATOM 240 CB ALA A 15 -4.603 1.914 2.845 1.00 0.00 C ATOM 0 H ALA A 15 -3.901 0.927 0.711 1.00 0.00 H new ATOM 0 HA ALA A 15 -2.458 1.633 3.109 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -4.757 2.263 3.866 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -4.501 2.771 2.180 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -5.458 1.313 2.534 1.00 0.00 H new ATOM 246 N GLU A 16 -4.106 -1.229 3.255 1.00 0.00 N ATOM 247 CA GLU A 16 -4.257 -2.446 4.136 1.00 0.00 C ATOM 248 C GLU A 16 -2.880 -2.921 4.634 1.00 0.00 C ATOM 249 O GLU A 16 -2.744 -3.346 5.766 1.00 0.00 O ATOM 250 CB GLU A 16 -4.906 -3.540 3.272 1.00 0.00 C ATOM 251 CG GLU A 16 -5.234 -4.754 4.143 1.00 0.00 C ATOM 252 CD GLU A 16 -5.075 -6.032 3.317 1.00 0.00 C ATOM 253 OE1 GLU A 16 -3.945 -6.417 3.069 1.00 0.00 O ATOM 254 OE2 GLU A 16 -6.088 -6.604 2.949 1.00 0.00 O ATOM 0 H GLU A 16 -4.525 -1.308 2.329 1.00 0.00 H new ATOM 0 HA GLU A 16 -4.866 -2.218 5.011 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -5.814 -3.158 2.806 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -4.231 -3.829 2.466 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -4.573 -4.783 5.009 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -6.253 -4.678 4.523 1.00 0.00 H new ATOM 261 N LYS A 17 -1.856 -2.843 3.805 1.00 0.00 N ATOM 262 CA LYS A 17 -0.494 -3.289 4.268 1.00 0.00 C ATOM 263 C LYS A 17 0.168 -2.167 5.081 1.00 0.00 C ATOM 264 O LYS A 17 0.775 -2.420 6.105 1.00 0.00 O ATOM 265 CB LYS A 17 0.333 -3.602 3.010 1.00 0.00 C ATOM 266 CG LYS A 17 0.281 -5.106 2.730 1.00 0.00 C ATOM 267 CD LYS A 17 1.501 -5.786 3.357 1.00 0.00 C ATOM 268 CE LYS A 17 1.137 -6.301 4.751 1.00 0.00 C ATOM 269 NZ LYS A 17 2.031 -7.473 4.972 1.00 0.00 N ATOM 0 H LYS A 17 -1.902 -2.497 2.847 1.00 0.00 H new ATOM 0 HA LYS A 17 -0.563 -4.170 4.906 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -0.058 -3.048 2.157 1.00 0.00 H new ATOM 0 HB3 LYS A 17 1.366 -3.282 3.151 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -0.636 -5.531 3.139 1.00 0.00 H new ATOM 0 HG3 LYS A 17 0.264 -5.286 1.655 1.00 0.00 H new ATOM 0 HD2 LYS A 17 1.834 -6.612 2.728 1.00 0.00 H new ATOM 0 HD3 LYS A 17 2.330 -5.081 3.423 1.00 0.00 H new ATOM 0 HE2 LYS A 17 1.296 -5.534 5.509 1.00 0.00 H new ATOM 0 HE3 LYS A 17 0.087 -6.589 4.804 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 1.841 -7.882 5.909 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 1.853 -8.189 4.239 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 3.024 -7.167 4.922 1.00 0.00 H new ATOM 283 N LEU A 18 0.046 -0.927 4.647 1.00 0.00 N ATOM 284 CA LEU A 18 0.669 0.197 5.432 1.00 0.00 C ATOM 285 C LEU A 18 -0.004 0.281 6.808 1.00 0.00 C ATOM 286 O LEU A 18 0.656 0.246 7.829 1.00 0.00 O ATOM 287 CB LEU A 18 0.414 1.486 4.641 1.00 0.00 C ATOM 288 CG LEU A 18 1.171 1.434 3.318 1.00 0.00 C ATOM 289 CD1 LEU A 18 0.498 2.367 2.312 1.00 0.00 C ATOM 290 CD2 LEU A 18 2.617 1.880 3.545 1.00 0.00 C ATOM 0 H LEU A 18 -0.448 -0.648 3.799 1.00 0.00 H new ATOM 0 HA LEU A 18 1.738 0.041 5.579 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -0.654 1.606 4.456 1.00 0.00 H new ATOM 0 HB3 LEU A 18 0.736 2.350 5.222 1.00 0.00 H new ATOM 0 HG LEU A 18 1.162 0.416 2.929 1.00 0.00 H new ATOM 0 HD11 LEU A 18 1.037 2.332 1.365 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -0.533 2.049 2.154 1.00 0.00 H new ATOM 0 HD13 LEU A 18 0.509 3.386 2.698 1.00 0.00 H new ATOM 0 HD21 LEU A 18 3.161 1.844 2.601 1.00 0.00 H new ATOM 0 HD22 LEU A 18 2.627 2.899 3.931 1.00 0.00 H new ATOM 0 HD23 LEU A 18 3.094 1.215 4.265 1.00 0.00 H new ATOM 302 N ALA A 19 -1.320 0.380 6.843 1.00 0.00 N ATOM 303 CA ALA A 19 -2.027 0.450 8.171 1.00 0.00 C ATOM 304 C ALA A 19 -1.712 -0.806 9.005 1.00 0.00 C ATOM 305 O ALA A 19 -1.647 -0.743 10.219 1.00 0.00 O ATOM 306 CB ALA A 19 -3.534 0.513 7.869 1.00 0.00 C ATOM 0 H ALA A 19 -1.926 0.415 6.023 1.00 0.00 H new ATOM 0 HA ALA A 19 -1.703 1.321 8.740 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -4.091 0.565 8.805 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -3.748 1.398 7.270 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -3.832 -0.379 7.318 1.00 0.00 H new ATOM 312 N GLY A 20 -1.519 -1.951 8.370 1.00 0.00 N ATOM 313 CA GLY A 20 -1.213 -3.192 9.139 1.00 0.00 C ATOM 314 C GLY A 20 0.188 -3.097 9.762 1.00 0.00 C ATOM 315 O GLY A 20 0.400 -3.546 10.873 1.00 0.00 O ATOM 0 H GLY A 20 -1.562 -2.068 7.358 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -1.958 -3.337 9.921 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -1.269 -4.059 8.481 1.00 0.00 H new ATOM 319 N ILE A 21 1.153 -2.522 9.064 1.00 0.00 N ATOM 320 CA ILE A 21 2.541 -2.419 9.655 1.00 0.00 C ATOM 321 C ILE A 21 2.482 -1.674 11.008 1.00 0.00 C ATOM 322 O ILE A 21 2.224 -0.486 11.036 1.00 0.00 O ATOM 323 CB ILE A 21 3.395 -1.635 8.635 1.00 0.00 C ATOM 324 CG1 ILE A 21 3.522 -2.456 7.345 1.00 0.00 C ATOM 325 CG2 ILE A 21 4.796 -1.380 9.203 1.00 0.00 C ATOM 326 CD1 ILE A 21 3.589 -1.521 6.131 1.00 0.00 C ATOM 0 H ILE A 21 1.045 -2.127 8.130 1.00 0.00 H new ATOM 0 HA ILE A 21 2.971 -3.403 9.843 1.00 0.00 H new ATOM 0 HB ILE A 21 2.912 -0.680 8.428 1.00 0.00 H new ATOM 0 HG12 ILE A 21 4.417 -3.076 7.386 1.00 0.00 H new ATOM 0 HG13 ILE A 21 2.671 -3.130 7.248 1.00 0.00 H new ATOM 0 HG21 ILE A 21 5.389 -0.827 8.475 1.00 0.00 H new ATOM 0 HG22 ILE A 21 4.716 -0.799 10.122 1.00 0.00 H new ATOM 0 HG23 ILE A 21 5.281 -2.333 9.417 1.00 0.00 H new ATOM 0 HD11 ILE A 21 3.679 -2.113 5.220 1.00 0.00 H new ATOM 0 HD12 ILE A 21 2.681 -0.919 6.084 1.00 0.00 H new ATOM 0 HD13 ILE A 21 4.454 -0.865 6.224 1.00 0.00 H new ATOM 338 N PRO A 22 2.718 -2.389 12.093 1.00 0.00 N ATOM 339 CA PRO A 22 2.677 -1.753 13.438 1.00 0.00 C ATOM 340 C PRO A 22 3.886 -0.823 13.680 1.00 0.00 C ATOM 341 O PRO A 22 3.852 0.000 14.576 1.00 0.00 O ATOM 342 CB PRO A 22 2.716 -2.938 14.398 1.00 0.00 C ATOM 343 CG PRO A 22 3.375 -4.038 13.633 1.00 0.00 C ATOM 344 CD PRO A 22 3.040 -3.825 12.181 1.00 0.00 C ATOM 0 HA PRO A 22 1.798 -1.120 13.562 1.00 0.00 H new ATOM 0 HB2 PRO A 22 3.276 -2.695 15.301 1.00 0.00 H new ATOM 0 HB3 PRO A 22 1.712 -3.223 14.713 1.00 0.00 H new ATOM 0 HG2 PRO A 22 4.454 -4.022 13.786 1.00 0.00 H new ATOM 0 HG3 PRO A 22 3.019 -5.011 13.972 1.00 0.00 H new ATOM 0 HD2 PRO A 22 3.879 -4.086 11.536 1.00 0.00 H new ATOM 0 HD3 PRO A 22 2.197 -4.442 11.872 1.00 0.00 H new ATOM 415 N ASP A 27 3.067 9.731 7.430 1.00 0.00 N ATOM 416 CA ASP A 27 1.613 9.536 7.088 1.00 0.00 C ATOM 417 C ASP A 27 1.386 8.131 6.505 1.00 0.00 C ATOM 418 O ASP A 27 2.182 7.644 5.726 1.00 0.00 O ATOM 419 CB ASP A 27 1.258 10.608 6.045 1.00 0.00 C ATOM 420 CG ASP A 27 -0.259 10.797 6.002 1.00 0.00 C ATOM 421 OD1 ASP A 27 -0.939 9.878 5.576 1.00 0.00 O ATOM 422 OD2 ASP A 27 -0.716 11.858 6.396 1.00 0.00 O ATOM 0 HA ASP A 27 0.986 9.629 7.975 1.00 0.00 H new ATOM 0 HB2 ASP A 27 1.745 11.550 6.296 1.00 0.00 H new ATOM 0 HB3 ASP A 27 1.626 10.311 5.063 1.00 0.00 H new ATOM 427 N ILE A 28 0.302 7.477 6.874 1.00 0.00 N ATOM 428 CA ILE A 28 0.031 6.104 6.331 1.00 0.00 C ATOM 429 C ILE A 28 -0.956 6.171 5.149 1.00 0.00 C ATOM 430 O ILE A 28 -0.834 5.410 4.207 1.00 0.00 O ATOM 431 CB ILE A 28 -0.517 5.278 7.521 1.00 0.00 C ATOM 432 CG1 ILE A 28 -0.539 3.776 7.166 1.00 0.00 C ATOM 433 CG2 ILE A 28 -1.922 5.749 7.929 1.00 0.00 C ATOM 434 CD1 ILE A 28 -1.591 3.462 6.087 1.00 0.00 C ATOM 0 H ILE A 28 -0.400 7.833 7.523 1.00 0.00 H new ATOM 0 HA ILE A 28 0.929 5.635 5.930 1.00 0.00 H new ATOM 0 HB ILE A 28 0.149 5.432 8.370 1.00 0.00 H new ATOM 0 HG12 ILE A 28 0.446 3.471 6.814 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -0.752 3.193 8.062 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -2.278 5.149 8.767 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -1.883 6.797 8.224 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -2.603 5.635 7.086 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -1.576 2.395 5.864 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -2.580 3.743 6.450 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -1.363 4.025 5.182 1.00 0.00 H new ATOM 446 N LYS A 29 -1.913 7.073 5.166 1.00 0.00 N ATOM 447 CA LYS A 29 -2.863 7.163 4.004 1.00 0.00 C ATOM 448 C LYS A 29 -2.184 7.924 2.859 1.00 0.00 C ATOM 449 O LYS A 29 -2.318 7.560 1.705 1.00 0.00 O ATOM 450 CB LYS A 29 -4.105 7.920 4.499 1.00 0.00 C ATOM 451 CG LYS A 29 -5.349 7.383 3.787 1.00 0.00 C ATOM 452 CD LYS A 29 -6.604 7.963 4.443 1.00 0.00 C ATOM 453 CE LYS A 29 -6.819 9.397 3.953 1.00 0.00 C ATOM 454 NZ LYS A 29 -7.460 9.253 2.617 1.00 0.00 N ATOM 0 H LYS A 29 -2.077 7.740 5.920 1.00 0.00 H new ATOM 0 HA LYS A 29 -3.146 6.177 3.635 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -4.211 7.801 5.577 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -3.995 8.987 4.305 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -5.321 7.652 2.731 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -5.369 6.294 3.839 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -7.471 7.350 4.199 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -6.500 7.950 5.528 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -7.455 9.957 4.638 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -5.874 9.936 3.882 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -7.005 9.901 1.942 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -7.352 8.274 2.284 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -8.471 9.484 2.691 1.00 0.00 H new ATOM 468 N TYR A 30 -1.435 8.967 3.165 1.00 0.00 N ATOM 469 CA TYR A 30 -0.733 9.722 2.069 1.00 0.00 C ATOM 470 C TYR A 30 0.394 8.863 1.469 1.00 0.00 C ATOM 471 O TYR A 30 0.711 8.998 0.301 1.00 0.00 O ATOM 472 CB TYR A 30 -0.151 10.995 2.706 1.00 0.00 C ATOM 473 CG TYR A 30 0.317 11.933 1.620 1.00 0.00 C ATOM 474 CD1 TYR A 30 -0.569 12.339 0.615 1.00 0.00 C ATOM 475 CD2 TYR A 30 1.638 12.396 1.617 1.00 0.00 C ATOM 476 CE1 TYR A 30 -0.134 13.209 -0.392 1.00 0.00 C ATOM 477 CE2 TYR A 30 2.073 13.267 0.610 1.00 0.00 C ATOM 478 CZ TYR A 30 1.186 13.673 -0.395 1.00 0.00 C ATOM 479 OH TYR A 30 1.615 14.530 -1.387 1.00 0.00 O ATOM 0 H TYR A 30 -1.282 9.322 4.109 1.00 0.00 H new ATOM 0 HA TYR A 30 -1.423 9.971 1.263 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -0.905 11.483 3.323 1.00 0.00 H new ATOM 0 HB3 TYR A 30 0.680 10.738 3.363 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -1.588 11.981 0.616 1.00 0.00 H new ATOM 0 HD2 TYR A 30 2.322 12.082 2.391 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -0.818 13.522 -1.167 1.00 0.00 H new ATOM 0 HE2 TYR A 30 3.092 13.625 0.609 1.00 0.00 H new ATOM 0 HH TYR A 30 2.557 14.756 -1.239 1.00 0.00 H new ATOM 489 N VAL A 31 1.005 7.979 2.241 1.00 0.00 N ATOM 490 CA VAL A 31 2.105 7.132 1.659 1.00 0.00 C ATOM 491 C VAL A 31 1.536 6.099 0.657 1.00 0.00 C ATOM 492 O VAL A 31 2.225 5.697 -0.262 1.00 0.00 O ATOM 493 CB VAL A 31 2.838 6.458 2.854 1.00 0.00 C ATOM 494 CG1 VAL A 31 2.079 5.222 3.362 1.00 0.00 C ATOM 495 CG2 VAL A 31 4.247 6.042 2.410 1.00 0.00 C ATOM 0 H VAL A 31 0.794 7.812 3.225 1.00 0.00 H new ATOM 0 HA VAL A 31 2.810 7.737 1.089 1.00 0.00 H new ATOM 0 HB VAL A 31 2.891 7.179 3.670 1.00 0.00 H new ATOM 0 HG11 VAL A 31 2.622 4.779 4.197 1.00 0.00 H new ATOM 0 HG12 VAL A 31 1.083 5.517 3.693 1.00 0.00 H new ATOM 0 HG13 VAL A 31 1.992 4.492 2.557 1.00 0.00 H new ATOM 0 HG21 VAL A 31 4.766 5.569 3.243 1.00 0.00 H new ATOM 0 HG22 VAL A 31 4.174 5.338 1.581 1.00 0.00 H new ATOM 0 HG23 VAL A 31 4.803 6.923 2.090 1.00 0.00 H new ATOM 505 N ALA A 32 0.290 5.681 0.806 1.00 0.00 N ATOM 506 CA ALA A 32 -0.279 4.693 -0.181 1.00 0.00 C ATOM 507 C ALA A 32 -0.517 5.392 -1.528 1.00 0.00 C ATOM 508 O ALA A 32 -0.290 4.813 -2.574 1.00 0.00 O ATOM 509 CB ALA A 32 -1.608 4.192 0.406 1.00 0.00 C ATOM 0 H ALA A 32 -0.343 5.974 1.550 1.00 0.00 H new ATOM 0 HA ALA A 32 0.403 3.860 -0.350 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -2.059 3.471 -0.277 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -1.424 3.714 1.368 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -2.286 5.035 0.543 1.00 0.00 H new ATOM 515 N GLU A 33 -0.960 6.636 -1.518 1.00 0.00 N ATOM 516 CA GLU A 33 -1.194 7.356 -2.825 1.00 0.00 C ATOM 517 C GLU A 33 0.114 7.399 -3.627 1.00 0.00 C ATOM 518 O GLU A 33 0.125 7.130 -4.813 1.00 0.00 O ATOM 519 CB GLU A 33 -1.652 8.781 -2.477 1.00 0.00 C ATOM 520 CG GLU A 33 -2.993 8.721 -1.742 1.00 0.00 C ATOM 521 CD GLU A 33 -3.829 9.951 -2.102 1.00 0.00 C ATOM 522 OE1 GLU A 33 -3.274 11.038 -2.107 1.00 0.00 O ATOM 523 OE2 GLU A 33 -5.008 9.786 -2.365 1.00 0.00 O ATOM 0 H GLU A 33 -1.167 7.177 -0.678 1.00 0.00 H new ATOM 0 HA GLU A 33 -1.946 6.848 -3.429 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -0.905 9.272 -1.853 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -1.749 9.375 -3.386 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -3.529 7.812 -2.015 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -2.828 8.683 -0.665 1.00 0.00 H new ATOM 530 N TYR A 34 1.221 7.709 -2.983 1.00 0.00 N ATOM 531 CA TYR A 34 2.529 7.732 -3.731 1.00 0.00 C ATOM 532 C TYR A 34 2.848 6.310 -4.210 1.00 0.00 C ATOM 533 O TYR A 34 3.296 6.112 -5.323 1.00 0.00 O ATOM 534 CB TYR A 34 3.601 8.226 -2.742 1.00 0.00 C ATOM 535 CG TYR A 34 4.986 8.243 -3.379 1.00 0.00 C ATOM 536 CD1 TYR A 34 5.153 8.391 -4.771 1.00 0.00 C ATOM 537 CD2 TYR A 34 6.113 8.128 -2.557 1.00 0.00 C ATOM 538 CE1 TYR A 34 6.439 8.424 -5.323 1.00 0.00 C ATOM 539 CE2 TYR A 34 7.397 8.157 -3.112 1.00 0.00 C ATOM 540 CZ TYR A 34 7.560 8.306 -4.495 1.00 0.00 C ATOM 541 OH TYR A 34 8.826 8.343 -5.040 1.00 0.00 O ATOM 0 H TYR A 34 1.278 7.943 -1.992 1.00 0.00 H new ATOM 0 HA TYR A 34 2.491 8.387 -4.602 1.00 0.00 H new ATOM 0 HB2 TYR A 34 3.346 9.228 -2.398 1.00 0.00 H new ATOM 0 HB3 TYR A 34 3.612 7.581 -1.864 1.00 0.00 H new ATOM 0 HD1 TYR A 34 4.288 8.479 -5.412 1.00 0.00 H new ATOM 0 HD2 TYR A 34 5.991 8.016 -1.490 1.00 0.00 H new ATOM 0 HE1 TYR A 34 6.566 8.541 -6.389 1.00 0.00 H new ATOM 0 HE2 TYR A 34 8.263 8.064 -2.473 1.00 0.00 H new ATOM 0 HH TYR A 34 9.484 8.490 -4.329 1.00 0.00 H new ATOM 551 N ILE A 35 2.597 5.311 -3.384 1.00 0.00 N ATOM 552 CA ILE A 35 2.866 3.893 -3.818 1.00 0.00 C ATOM 553 C ILE A 35 2.021 3.589 -5.068 1.00 0.00 C ATOM 554 O ILE A 35 2.529 3.092 -6.055 1.00 0.00 O ATOM 555 CB ILE A 35 2.465 2.999 -2.624 1.00 0.00 C ATOM 556 CG1 ILE A 35 3.459 3.225 -1.484 1.00 0.00 C ATOM 557 CG2 ILE A 35 2.483 1.519 -3.019 1.00 0.00 C ATOM 558 CD1 ILE A 35 2.920 2.595 -0.200 1.00 0.00 C ATOM 0 H ILE A 35 2.223 5.414 -2.441 1.00 0.00 H new ATOM 0 HA ILE A 35 3.909 3.719 -4.081 1.00 0.00 H new ATOM 0 HB ILE A 35 1.455 3.262 -2.311 1.00 0.00 H new ATOM 0 HG12 ILE A 35 4.424 2.787 -1.738 1.00 0.00 H new ATOM 0 HG13 ILE A 35 3.622 4.293 -1.336 1.00 0.00 H new ATOM 0 HG21 ILE A 35 2.197 0.910 -2.161 1.00 0.00 H new ATOM 0 HG22 ILE A 35 1.779 1.351 -3.834 1.00 0.00 H new ATOM 0 HG23 ILE A 35 3.486 1.241 -3.343 1.00 0.00 H new ATOM 0 HD11 ILE A 35 3.630 2.757 0.611 1.00 0.00 H new ATOM 0 HD12 ILE A 35 1.965 3.053 0.057 1.00 0.00 H new ATOM 0 HD13 ILE A 35 2.780 1.525 -0.351 1.00 0.00 H new ATOM 570 N VAL A 36 0.744 3.914 -5.043 1.00 0.00 N ATOM 571 CA VAL A 36 -0.109 3.667 -6.260 1.00 0.00 C ATOM 572 C VAL A 36 0.428 4.514 -7.425 1.00 0.00 C ATOM 573 O VAL A 36 0.503 4.050 -8.547 1.00 0.00 O ATOM 574 CB VAL A 36 -1.545 4.088 -5.895 1.00 0.00 C ATOM 575 CG1 VAL A 36 -2.463 3.927 -7.110 1.00 0.00 C ATOM 576 CG2 VAL A 36 -2.057 3.200 -4.760 1.00 0.00 C ATOM 0 H VAL A 36 0.262 4.332 -4.248 1.00 0.00 H new ATOM 0 HA VAL A 36 -0.091 2.620 -6.564 1.00 0.00 H new ATOM 0 HB VAL A 36 -1.543 5.132 -5.581 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -3.476 4.227 -6.843 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -2.102 4.555 -7.925 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -2.465 2.885 -7.429 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -3.073 3.494 -4.498 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -2.052 2.159 -5.082 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -1.411 3.313 -3.890 1.00 0.00 H new ATOM 586 N LEU A 37 0.826 5.749 -7.167 1.00 0.00 N ATOM 587 CA LEU A 37 1.384 6.601 -8.282 1.00 0.00 C ATOM 588 C LEU A 37 2.595 5.881 -8.893 1.00 0.00 C ATOM 589 O LEU A 37 2.729 5.801 -10.100 1.00 0.00 O ATOM 590 CB LEU A 37 1.823 7.938 -7.660 1.00 0.00 C ATOM 591 CG LEU A 37 1.603 9.065 -8.670 1.00 0.00 C ATOM 592 CD1 LEU A 37 0.178 9.604 -8.532 1.00 0.00 C ATOM 593 CD2 LEU A 37 2.601 10.193 -8.399 1.00 0.00 C ATOM 0 H LEU A 37 0.790 6.196 -6.251 1.00 0.00 H new ATOM 0 HA LEU A 37 0.644 6.773 -9.064 1.00 0.00 H new ATOM 0 HB2 LEU A 37 1.254 8.133 -6.751 1.00 0.00 H new ATOM 0 HB3 LEU A 37 2.874 7.891 -7.374 1.00 0.00 H new ATOM 0 HG LEU A 37 1.750 8.681 -9.680 1.00 0.00 H new ATOM 0 HD11 LEU A 37 0.022 10.407 -9.252 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -0.535 8.802 -8.723 1.00 0.00 H new ATOM 0 HD13 LEU A 37 0.030 9.988 -7.523 1.00 0.00 H new ATOM 0 HD21 LEU A 37 2.445 10.997 -9.118 1.00 0.00 H new ATOM 0 HD22 LEU A 37 2.452 10.576 -7.389 1.00 0.00 H new ATOM 0 HD23 LEU A 37 3.617 9.811 -8.496 1.00 0.00 H new ATOM 605 N LEU A 38 3.461 5.323 -8.066 1.00 0.00 N ATOM 606 CA LEU A 38 4.638 4.572 -8.624 1.00 0.00 C ATOM 607 C LEU A 38 4.114 3.356 -9.406 1.00 0.00 C ATOM 608 O LEU A 38 4.585 3.050 -10.485 1.00 0.00 O ATOM 609 CB LEU A 38 5.484 4.103 -7.428 1.00 0.00 C ATOM 610 CG LEU A 38 6.079 5.314 -6.709 1.00 0.00 C ATOM 611 CD1 LEU A 38 6.665 4.872 -5.366 1.00 0.00 C ATOM 612 CD2 LEU A 38 7.187 5.924 -7.572 1.00 0.00 C ATOM 0 H LEU A 38 3.404 5.355 -7.048 1.00 0.00 H new ATOM 0 HA LEU A 38 5.236 5.193 -9.291 1.00 0.00 H new ATOM 0 HB2 LEU A 38 4.868 3.526 -6.739 1.00 0.00 H new ATOM 0 HB3 LEU A 38 6.282 3.444 -7.771 1.00 0.00 H new ATOM 0 HG LEU A 38 5.299 6.056 -6.539 1.00 0.00 H new ATOM 0 HD11 LEU A 38 7.089 5.735 -4.853 1.00 0.00 H new ATOM 0 HD12 LEU A 38 5.878 4.435 -4.752 1.00 0.00 H new ATOM 0 HD13 LEU A 38 7.446 4.131 -5.536 1.00 0.00 H new ATOM 0 HD21 LEU A 38 7.612 6.788 -7.061 1.00 0.00 H new ATOM 0 HD22 LEU A 38 7.967 5.182 -7.741 1.00 0.00 H new ATOM 0 HD23 LEU A 38 6.771 6.238 -8.530 1.00 0.00 H new ATOM 624 N ILE A 39 3.122 2.671 -8.869 1.00 0.00 N ATOM 625 CA ILE A 39 2.542 1.479 -9.589 1.00 0.00 C ATOM 626 C ILE A 39 1.964 1.940 -10.937 1.00 0.00 C ATOM 627 O ILE A 39 2.238 1.352 -11.966 1.00 0.00 O ATOM 628 CB ILE A 39 1.427 0.930 -8.667 1.00 0.00 C ATOM 629 CG1 ILE A 39 2.060 0.344 -7.388 1.00 0.00 C ATOM 630 CG2 ILE A 39 0.591 -0.143 -9.382 1.00 0.00 C ATOM 631 CD1 ILE A 39 2.808 -0.959 -7.696 1.00 0.00 C ATOM 0 H ILE A 39 2.691 2.884 -7.969 1.00 0.00 H new ATOM 0 HA ILE A 39 3.287 0.710 -9.794 1.00 0.00 H new ATOM 0 HB ILE A 39 0.761 1.751 -8.404 1.00 0.00 H new ATOM 0 HG12 ILE A 39 2.748 1.069 -6.953 1.00 0.00 H new ATOM 0 HG13 ILE A 39 1.284 0.156 -6.646 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -0.184 -0.509 -8.708 1.00 0.00 H new ATOM 0 HG22 ILE A 39 0.127 0.289 -10.269 1.00 0.00 H new ATOM 0 HG23 ILE A 39 1.236 -0.971 -9.677 1.00 0.00 H new ATOM 0 HD11 ILE A 39 3.246 -1.353 -6.779 1.00 0.00 H new ATOM 0 HD12 ILE A 39 2.112 -1.689 -8.109 1.00 0.00 H new ATOM 0 HD13 ILE A 39 3.599 -0.762 -8.420 1.00 0.00 H new ATOM 643 N VAL A 40 1.180 2.995 -10.937 1.00 0.00 N ATOM 644 CA VAL A 40 0.603 3.494 -12.238 1.00 0.00 C ATOM 645 C VAL A 40 1.744 3.883 -13.198 1.00 0.00 C ATOM 646 O VAL A 40 1.622 3.726 -14.399 1.00 0.00 O ATOM 647 CB VAL A 40 -0.261 4.725 -11.902 1.00 0.00 C ATOM 648 CG1 VAL A 40 -0.873 5.297 -13.186 1.00 0.00 C ATOM 649 CG2 VAL A 40 -1.388 4.318 -10.941 1.00 0.00 C ATOM 0 H VAL A 40 0.916 3.528 -10.108 1.00 0.00 H new ATOM 0 HA VAL A 40 0.003 2.726 -12.726 1.00 0.00 H new ATOM 0 HB VAL A 40 0.366 5.482 -11.431 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -1.483 6.167 -12.942 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -0.076 5.592 -13.869 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -1.496 4.539 -13.661 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -1.998 5.190 -10.705 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -2.010 3.557 -11.412 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -0.957 3.918 -10.023 1.00 0.00 H new ATOM 659 N ASN A 41 2.849 4.390 -12.686 1.00 0.00 N ATOM 660 CA ASN A 41 3.982 4.783 -13.597 1.00 0.00 C ATOM 661 C ASN A 41 4.471 3.567 -14.397 1.00 0.00 C ATOM 662 O ASN A 41 4.820 3.693 -15.557 1.00 0.00 O ATOM 663 CB ASN A 41 5.113 5.320 -12.701 1.00 0.00 C ATOM 664 CG ASN A 41 4.625 6.560 -11.934 1.00 0.00 C ATOM 665 OD1 ASN A 41 3.596 7.122 -12.256 1.00 0.00 O ATOM 666 ND2 ASN A 41 5.324 7.020 -10.924 1.00 0.00 N ATOM 0 H ASN A 41 3.014 4.547 -11.692 1.00 0.00 H new ATOM 0 HA ASN A 41 3.659 5.539 -14.312 1.00 0.00 H new ATOM 0 HB2 ASN A 41 5.431 4.549 -11.999 1.00 0.00 H new ATOM 0 HB3 ASN A 41 5.981 5.575 -13.309 1.00 0.00 H new ATOM 0 HD21 ASN A 41 5.003 7.844 -10.415 1.00 0.00 H new ATOM 0 HD22 ASN A 41 6.188 6.554 -10.648 1.00 0.00 H new ATOM 673 N GLY A 42 4.505 2.391 -13.799 1.00 0.00 N ATOM 674 CA GLY A 42 4.982 1.189 -14.563 1.00 0.00 C ATOM 675 C GLY A 42 4.755 -0.094 -13.748 1.00 0.00 C ATOM 676 O GLY A 42 4.037 -0.980 -14.172 1.00 0.00 O ATOM 0 H GLY A 42 4.228 2.216 -12.833 1.00 0.00 H new ATOM 0 HA2 GLY A 42 4.452 1.121 -15.513 1.00 0.00 H new ATOM 0 HA3 GLY A 42 6.041 1.296 -14.796 1.00 0.00 H new ATOM 680 N GLY A 43 5.357 -0.199 -12.582 1.00 0.00 N ATOM 681 CA GLY A 43 5.167 -1.423 -11.752 1.00 0.00 C ATOM 682 C GLY A 43 6.506 -2.155 -11.573 1.00 0.00 C ATOM 683 O GLY A 43 6.615 -3.331 -11.864 1.00 0.00 O ATOM 0 H GLY A 43 5.968 0.510 -12.176 1.00 0.00 H new ATOM 0 HA2 GLY A 43 4.760 -1.151 -10.778 1.00 0.00 H new ATOM 0 HA3 GLY A 43 4.443 -2.085 -12.227 1.00 0.00 H new ATOM 687 N THR A 44 7.522 -1.478 -11.076 1.00 0.00 N ATOM 688 CA THR A 44 8.839 -2.143 -10.856 1.00 0.00 C ATOM 689 C THR A 44 9.154 -2.114 -9.353 1.00 0.00 C ATOM 690 O THR A 44 9.535 -1.091 -8.821 1.00 0.00 O ATOM 691 CB THR A 44 9.846 -1.301 -11.643 1.00 0.00 C ATOM 692 OG1 THR A 44 9.670 0.071 -11.316 1.00 0.00 O ATOM 693 CG2 THR A 44 9.619 -1.502 -13.142 1.00 0.00 C ATOM 0 H THR A 44 7.488 -0.492 -10.815 1.00 0.00 H new ATOM 0 HA THR A 44 8.859 -3.183 -11.181 1.00 0.00 H new ATOM 0 HB THR A 44 10.859 -1.610 -11.386 1.00 0.00 H new ATOM 0 HG1 THR A 44 10.315 0.612 -11.818 1.00 0.00 H new ATOM 0 HG21 THR A 44 10.336 -0.902 -13.702 1.00 0.00 H new ATOM 0 HG22 THR A 44 9.752 -2.554 -13.392 1.00 0.00 H new ATOM 0 HG23 THR A 44 8.606 -1.193 -13.401 1.00 0.00 H new ATOM 701 N VAL A 45 8.966 -3.217 -8.653 1.00 0.00 N ATOM 702 CA VAL A 45 9.226 -3.219 -7.159 1.00 0.00 C ATOM 703 C VAL A 45 10.607 -2.620 -6.824 1.00 0.00 C ATOM 704 O VAL A 45 10.762 -1.973 -5.808 1.00 0.00 O ATOM 705 CB VAL A 45 9.146 -4.689 -6.689 1.00 0.00 C ATOM 706 CG1 VAL A 45 9.449 -4.777 -5.188 1.00 0.00 C ATOM 707 CG2 VAL A 45 7.735 -5.228 -6.938 1.00 0.00 C ATOM 0 H VAL A 45 8.649 -4.106 -9.040 1.00 0.00 H new ATOM 0 HA VAL A 45 8.487 -2.602 -6.649 1.00 0.00 H new ATOM 0 HB VAL A 45 9.876 -5.277 -7.245 1.00 0.00 H new ATOM 0 HG11 VAL A 45 9.390 -5.816 -4.865 1.00 0.00 H new ATOM 0 HG12 VAL A 45 10.451 -4.393 -4.996 1.00 0.00 H new ATOM 0 HG13 VAL A 45 8.721 -4.184 -4.634 1.00 0.00 H new ATOM 0 HG21 VAL A 45 7.678 -6.265 -6.607 1.00 0.00 H new ATOM 0 HG22 VAL A 45 7.013 -4.629 -6.382 1.00 0.00 H new ATOM 0 HG23 VAL A 45 7.508 -5.174 -8.003 1.00 0.00 H new ATOM 717 N GLU A 46 11.605 -2.825 -7.652 1.00 0.00 N ATOM 718 CA GLU A 46 12.956 -2.247 -7.323 1.00 0.00 C ATOM 719 C GLU A 46 12.916 -0.720 -7.430 1.00 0.00 C ATOM 720 O GLU A 46 13.255 -0.029 -6.485 1.00 0.00 O ATOM 721 CB GLU A 46 13.958 -2.835 -8.329 1.00 0.00 C ATOM 722 CG GLU A 46 14.283 -4.280 -7.943 1.00 0.00 C ATOM 723 CD GLU A 46 13.376 -5.233 -8.725 1.00 0.00 C ATOM 724 OE1 GLU A 46 13.332 -5.115 -9.938 1.00 0.00 O ATOM 725 OE2 GLU A 46 12.743 -6.065 -8.097 1.00 0.00 O ATOM 0 H GLU A 46 11.550 -3.354 -8.522 1.00 0.00 H new ATOM 0 HA GLU A 46 13.249 -2.497 -6.303 1.00 0.00 H new ATOM 0 HB2 GLU A 46 13.541 -2.802 -9.335 1.00 0.00 H new ATOM 0 HB3 GLU A 46 14.869 -2.237 -8.342 1.00 0.00 H new ATOM 0 HG2 GLU A 46 15.329 -4.499 -8.157 1.00 0.00 H new ATOM 0 HG3 GLU A 46 14.141 -4.422 -6.872 1.00 0.00 H new ATOM 732 N SER A 47 12.486 -0.180 -8.549 1.00 0.00 N ATOM 733 CA SER A 47 12.418 1.319 -8.655 1.00 0.00 C ATOM 734 C SER A 47 11.269 1.844 -7.777 1.00 0.00 C ATOM 735 O SER A 47 11.350 2.932 -7.239 1.00 0.00 O ATOM 736 CB SER A 47 12.178 1.670 -10.133 1.00 0.00 C ATOM 737 OG SER A 47 13.081 2.697 -10.521 1.00 0.00 O ATOM 0 H SER A 47 12.185 -0.696 -9.376 1.00 0.00 H new ATOM 0 HA SER A 47 13.344 1.780 -8.310 1.00 0.00 H new ATOM 0 HB2 SER A 47 12.322 0.788 -10.757 1.00 0.00 H new ATOM 0 HB3 SER A 47 11.149 1.999 -10.279 1.00 0.00 H new ATOM 0 HG SER A 47 12.934 2.924 -11.463 1.00 0.00 H new ATOM 743 N VAL A 48 10.203 1.080 -7.611 1.00 0.00 N ATOM 744 CA VAL A 48 9.074 1.561 -6.745 1.00 0.00 C ATOM 745 C VAL A 48 9.483 1.486 -5.270 1.00 0.00 C ATOM 746 O VAL A 48 9.186 2.384 -4.508 1.00 0.00 O ATOM 747 CB VAL A 48 7.864 0.645 -7.023 1.00 0.00 C ATOM 748 CG1 VAL A 48 6.677 1.072 -6.154 1.00 0.00 C ATOM 749 CG2 VAL A 48 7.467 0.758 -8.498 1.00 0.00 C ATOM 0 H VAL A 48 10.071 0.160 -8.032 1.00 0.00 H new ATOM 0 HA VAL A 48 8.822 2.598 -6.967 1.00 0.00 H new ATOM 0 HB VAL A 48 8.136 -0.384 -6.789 1.00 0.00 H new ATOM 0 HG11 VAL A 48 5.826 0.421 -6.355 1.00 0.00 H new ATOM 0 HG12 VAL A 48 6.951 0.996 -5.102 1.00 0.00 H new ATOM 0 HG13 VAL A 48 6.408 2.103 -6.386 1.00 0.00 H new ATOM 0 HG21 VAL A 48 6.612 0.111 -8.695 1.00 0.00 H new ATOM 0 HG22 VAL A 48 7.201 1.790 -8.725 1.00 0.00 H new ATOM 0 HG23 VAL A 48 8.305 0.453 -9.125 1.00 0.00 H new ATOM 759 N VAL A 49 10.179 0.444 -4.856 1.00 0.00 N ATOM 760 CA VAL A 49 10.597 0.378 -3.410 1.00 0.00 C ATOM 761 C VAL A 49 11.676 1.442 -3.148 1.00 0.00 C ATOM 762 O VAL A 49 11.685 2.069 -2.105 1.00 0.00 O ATOM 763 CB VAL A 49 11.126 -1.051 -3.155 1.00 0.00 C ATOM 764 CG1 VAL A 49 11.777 -1.142 -1.767 1.00 0.00 C ATOM 765 CG2 VAL A 49 9.957 -2.037 -3.215 1.00 0.00 C ATOM 0 H VAL A 49 10.469 -0.342 -5.438 1.00 0.00 H new ATOM 0 HA VAL A 49 9.767 0.583 -2.734 1.00 0.00 H new ATOM 0 HB VAL A 49 11.868 -1.292 -3.916 1.00 0.00 H new ATOM 0 HG11 VAL A 49 12.144 -2.155 -1.603 1.00 0.00 H new ATOM 0 HG12 VAL A 49 12.609 -0.440 -1.709 1.00 0.00 H new ATOM 0 HG13 VAL A 49 11.040 -0.895 -1.003 1.00 0.00 H new ATOM 0 HG21 VAL A 49 10.324 -3.048 -3.036 1.00 0.00 H new ATOM 0 HG22 VAL A 49 9.222 -1.777 -2.453 1.00 0.00 H new ATOM 0 HG23 VAL A 49 9.491 -1.989 -4.199 1.00 0.00 H new ATOM 775 N ASP A 50 12.575 1.668 -4.087 1.00 0.00 N ATOM 776 CA ASP A 50 13.630 2.720 -3.865 1.00 0.00 C ATOM 777 C ASP A 50 12.968 4.089 -3.618 1.00 0.00 C ATOM 778 O ASP A 50 13.477 4.893 -2.860 1.00 0.00 O ATOM 779 CB ASP A 50 14.488 2.769 -5.140 1.00 0.00 C ATOM 780 CG ASP A 50 15.804 3.488 -4.842 1.00 0.00 C ATOM 781 OD1 ASP A 50 15.755 4.548 -4.239 1.00 0.00 O ATOM 782 OD2 ASP A 50 16.840 2.968 -5.224 1.00 0.00 O ATOM 0 H ASP A 50 12.624 1.180 -4.981 1.00 0.00 H new ATOM 0 HA ASP A 50 14.241 2.483 -2.994 1.00 0.00 H new ATOM 0 HB2 ASP A 50 14.686 1.758 -5.497 1.00 0.00 H new ATOM 0 HB3 ASP A 50 13.950 3.287 -5.934 1.00 0.00 H new ATOM 787 N GLU A 51 11.840 4.364 -4.249 1.00 0.00 N ATOM 788 CA GLU A 51 11.171 5.697 -4.025 1.00 0.00 C ATOM 789 C GLU A 51 10.639 5.792 -2.589 1.00 0.00 C ATOM 790 O GLU A 51 10.762 6.823 -1.954 1.00 0.00 O ATOM 791 CB GLU A 51 10.011 5.802 -5.031 1.00 0.00 C ATOM 792 CG GLU A 51 10.466 6.601 -6.254 1.00 0.00 C ATOM 793 CD GLU A 51 10.968 5.643 -7.335 1.00 0.00 C ATOM 794 OE1 GLU A 51 10.138 5.045 -7.999 1.00 0.00 O ATOM 795 OE2 GLU A 51 12.173 5.523 -7.479 1.00 0.00 O ATOM 0 H GLU A 51 11.362 3.737 -4.896 1.00 0.00 H new ATOM 0 HA GLU A 51 11.881 6.511 -4.170 1.00 0.00 H new ATOM 0 HB2 GLU A 51 9.687 4.806 -5.334 1.00 0.00 H new ATOM 0 HB3 GLU A 51 9.154 6.288 -4.564 1.00 0.00 H new ATOM 0 HG2 GLU A 51 9.639 7.198 -6.639 1.00 0.00 H new ATOM 0 HG3 GLU A 51 11.258 7.296 -5.973 1.00 0.00 H new ATOM 802 N LEU A 52 10.066 4.730 -2.061 1.00 0.00 N ATOM 803 CA LEU A 52 9.553 4.799 -0.648 1.00 0.00 C ATOM 804 C LEU A 52 10.746 4.807 0.312 1.00 0.00 C ATOM 805 O LEU A 52 10.747 5.528 1.286 1.00 0.00 O ATOM 806 CB LEU A 52 8.683 3.548 -0.394 1.00 0.00 C ATOM 807 CG LEU A 52 7.264 3.711 -0.976 1.00 0.00 C ATOM 808 CD1 LEU A 52 6.611 5.010 -0.486 1.00 0.00 C ATOM 809 CD2 LEU A 52 7.333 3.715 -2.502 1.00 0.00 C ATOM 0 H LEU A 52 9.933 3.837 -2.535 1.00 0.00 H new ATOM 0 HA LEU A 52 8.962 5.701 -0.491 1.00 0.00 H new ATOM 0 HB2 LEU A 52 9.161 2.676 -0.840 1.00 0.00 H new ATOM 0 HB3 LEU A 52 8.617 3.362 0.678 1.00 0.00 H new ATOM 0 HG LEU A 52 6.656 2.873 -0.635 1.00 0.00 H new ATOM 0 HD11 LEU A 52 5.612 5.098 -0.912 1.00 0.00 H new ATOM 0 HD12 LEU A 52 6.541 4.994 0.602 1.00 0.00 H new ATOM 0 HD13 LEU A 52 7.215 5.862 -0.799 1.00 0.00 H new ATOM 0 HD21 LEU A 52 6.329 3.830 -2.911 1.00 0.00 H new ATOM 0 HD22 LEU A 52 7.958 4.543 -2.836 1.00 0.00 H new ATOM 0 HD23 LEU A 52 7.761 2.774 -2.849 1.00 0.00 H new ATOM 821 N ALA A 53 11.768 4.021 0.041 1.00 0.00 N ATOM 822 CA ALA A 53 12.963 4.020 0.957 1.00 0.00 C ATOM 823 C ALA A 53 13.642 5.400 0.924 1.00 0.00 C ATOM 824 O ALA A 53 14.122 5.877 1.935 1.00 0.00 O ATOM 825 CB ALA A 53 13.925 2.940 0.439 1.00 0.00 C ATOM 0 H ALA A 53 11.828 3.391 -0.759 1.00 0.00 H new ATOM 0 HA ALA A 53 12.671 3.813 1.987 1.00 0.00 H new ATOM 0 HB1 ALA A 53 14.809 2.904 1.076 1.00 0.00 H new ATOM 0 HB2 ALA A 53 13.427 1.971 0.455 1.00 0.00 H new ATOM 0 HB3 ALA A 53 14.223 3.178 -0.582 1.00 0.00 H new ATOM 831 N SER A 54 13.687 6.049 -0.226 1.00 0.00 N ATOM 832 CA SER A 54 14.342 7.406 -0.291 1.00 0.00 C ATOM 833 C SER A 54 13.643 8.384 0.669 1.00 0.00 C ATOM 834 O SER A 54 14.287 9.213 1.284 1.00 0.00 O ATOM 835 CB SER A 54 14.202 7.899 -1.739 1.00 0.00 C ATOM 836 OG SER A 54 14.945 9.101 -1.900 1.00 0.00 O ATOM 0 H SER A 54 13.306 5.705 -1.107 1.00 0.00 H new ATOM 0 HA SER A 54 15.390 7.345 0.004 1.00 0.00 H new ATOM 0 HB2 SER A 54 14.564 7.139 -2.431 1.00 0.00 H new ATOM 0 HB3 SER A 54 13.152 8.072 -1.977 1.00 0.00 H new ATOM 0 HG SER A 54 14.859 9.418 -2.823 1.00 0.00 H new ATOM 842 N LEU A 55 12.335 8.296 0.806 1.00 0.00 N ATOM 843 CA LEU A 55 11.620 9.234 1.739 1.00 0.00 C ATOM 844 C LEU A 55 11.385 8.557 3.098 1.00 0.00 C ATOM 845 O LEU A 55 11.542 9.171 4.136 1.00 0.00 O ATOM 846 CB LEU A 55 10.283 9.563 1.064 1.00 0.00 C ATOM 847 CG LEU A 55 10.537 10.394 -0.194 1.00 0.00 C ATOM 848 CD1 LEU A 55 9.377 10.205 -1.176 1.00 0.00 C ATOM 849 CD2 LEU A 55 10.645 11.873 0.186 1.00 0.00 C ATOM 0 H LEU A 55 11.740 7.625 0.320 1.00 0.00 H new ATOM 0 HA LEU A 55 12.203 10.136 1.926 1.00 0.00 H new ATOM 0 HB2 LEU A 55 9.758 8.643 0.805 1.00 0.00 H new ATOM 0 HB3 LEU A 55 9.642 10.113 1.753 1.00 0.00 H new ATOM 0 HG LEU A 55 11.466 10.068 -0.662 1.00 0.00 H new ATOM 0 HD11 LEU A 55 9.559 10.798 -2.072 1.00 0.00 H new ATOM 0 HD12 LEU A 55 9.298 9.152 -1.447 1.00 0.00 H new ATOM 0 HD13 LEU A 55 8.448 10.530 -0.708 1.00 0.00 H new ATOM 0 HD21 LEU A 55 10.826 12.467 -0.710 1.00 0.00 H new ATOM 0 HD22 LEU A 55 9.716 12.197 0.654 1.00 0.00 H new ATOM 0 HD23 LEU A 55 11.470 12.010 0.885 1.00 0.00 H new ATOM 861 N PHE A 56 11.018 7.295 3.103 1.00 0.00 N ATOM 862 CA PHE A 56 10.782 6.579 4.393 1.00 0.00 C ATOM 863 C PHE A 56 11.905 5.554 4.616 1.00 0.00 C ATOM 864 O PHE A 56 11.702 4.364 4.460 1.00 0.00 O ATOM 865 CB PHE A 56 9.427 5.867 4.243 1.00 0.00 C ATOM 866 CG PHE A 56 8.360 6.856 3.820 1.00 0.00 C ATOM 867 CD1 PHE A 56 8.004 7.910 4.668 1.00 0.00 C ATOM 868 CD2 PHE A 56 7.736 6.717 2.575 1.00 0.00 C ATOM 869 CE1 PHE A 56 7.022 8.826 4.269 1.00 0.00 C ATOM 870 CE2 PHE A 56 6.755 7.631 2.178 1.00 0.00 C ATOM 871 CZ PHE A 56 6.397 8.686 3.025 1.00 0.00 C ATOM 0 H PHE A 56 10.872 6.732 2.265 1.00 0.00 H new ATOM 0 HA PHE A 56 10.774 7.259 5.245 1.00 0.00 H new ATOM 0 HB2 PHE A 56 9.507 5.069 3.505 1.00 0.00 H new ATOM 0 HB3 PHE A 56 9.147 5.400 5.187 1.00 0.00 H new ATOM 0 HD1 PHE A 56 8.485 8.017 5.629 1.00 0.00 H new ATOM 0 HD2 PHE A 56 8.012 5.903 1.921 1.00 0.00 H new ATOM 0 HE1 PHE A 56 6.747 9.641 4.922 1.00 0.00 H new ATOM 0 HE2 PHE A 56 6.273 7.523 1.217 1.00 0.00 H new ATOM 0 HZ PHE A 56 5.639 9.392 2.719 1.00 0.00 H new ATOM 881 N ASP A 57 13.090 6.002 4.983 1.00 0.00 N ATOM 882 CA ASP A 57 14.214 5.035 5.214 1.00 0.00 C ATOM 883 C ASP A 57 14.412 4.768 6.720 1.00 0.00 C ATOM 884 O ASP A 57 15.504 4.442 7.148 1.00 0.00 O ATOM 885 CB ASP A 57 15.463 5.698 4.620 1.00 0.00 C ATOM 886 CG ASP A 57 16.361 4.628 3.997 1.00 0.00 C ATOM 887 OD1 ASP A 57 16.430 3.544 4.553 1.00 0.00 O ATOM 888 OD2 ASP A 57 16.965 4.910 2.975 1.00 0.00 O ATOM 0 H ASP A 57 13.323 6.984 5.130 1.00 0.00 H new ATOM 0 HA ASP A 57 14.007 4.071 4.750 1.00 0.00 H new ATOM 0 HB2 ASP A 57 15.175 6.430 3.866 1.00 0.00 H new ATOM 0 HB3 ASP A 57 16.006 6.237 5.397 1.00 0.00 H new ATOM 893 N SER A 58 13.373 4.887 7.527 1.00 0.00 N ATOM 894 CA SER A 58 13.534 4.616 8.996 1.00 0.00 C ATOM 895 C SER A 58 13.112 3.172 9.326 1.00 0.00 C ATOM 896 O SER A 58 13.704 2.534 10.177 1.00 0.00 O ATOM 897 CB SER A 58 12.624 5.619 9.715 1.00 0.00 C ATOM 898 OG SER A 58 12.259 5.096 10.986 1.00 0.00 O ATOM 0 H SER A 58 12.434 5.157 7.234 1.00 0.00 H new ATOM 0 HA SER A 58 14.572 4.726 9.310 1.00 0.00 H new ATOM 0 HB2 SER A 58 13.138 6.572 9.835 1.00 0.00 H new ATOM 0 HB3 SER A 58 11.732 5.811 9.118 1.00 0.00 H new ATOM 0 HG SER A 58 11.678 5.736 11.449 1.00 0.00 H new ATOM 904 N VAL A 59 12.102 2.646 8.660 1.00 0.00 N ATOM 905 CA VAL A 59 11.669 1.235 8.951 1.00 0.00 C ATOM 906 C VAL A 59 12.449 0.243 8.072 1.00 0.00 C ATOM 907 O VAL A 59 12.959 0.601 7.027 1.00 0.00 O ATOM 908 CB VAL A 59 10.154 1.163 8.660 1.00 0.00 C ATOM 909 CG1 VAL A 59 9.865 1.408 7.171 1.00 0.00 C ATOM 910 CG2 VAL A 59 9.635 -0.222 9.049 1.00 0.00 C ATOM 0 H VAL A 59 11.566 3.126 7.937 1.00 0.00 H new ATOM 0 HA VAL A 59 11.871 0.967 9.988 1.00 0.00 H new ATOM 0 HB VAL A 59 9.653 1.936 9.242 1.00 0.00 H new ATOM 0 HG11 VAL A 59 8.791 1.351 6.995 1.00 0.00 H new ATOM 0 HG12 VAL A 59 10.228 2.396 6.888 1.00 0.00 H new ATOM 0 HG13 VAL A 59 10.371 0.650 6.573 1.00 0.00 H new ATOM 0 HG21 VAL A 59 8.566 -0.280 8.846 1.00 0.00 H new ATOM 0 HG22 VAL A 59 10.156 -0.982 8.468 1.00 0.00 H new ATOM 0 HG23 VAL A 59 9.813 -0.392 10.111 1.00 0.00 H new ATOM 920 N SER A 60 12.556 -1.002 8.494 1.00 0.00 N ATOM 921 CA SER A 60 13.323 -2.017 7.675 1.00 0.00 C ATOM 922 C SER A 60 12.833 -2.032 6.213 1.00 0.00 C ATOM 923 O SER A 60 11.646 -1.972 5.955 1.00 0.00 O ATOM 924 CB SER A 60 13.068 -3.386 8.322 1.00 0.00 C ATOM 925 OG SER A 60 11.788 -3.381 8.940 1.00 0.00 O ATOM 0 H SER A 60 12.152 -1.359 9.360 1.00 0.00 H new ATOM 0 HA SER A 60 14.385 -1.770 7.659 1.00 0.00 H new ATOM 0 HB2 SER A 60 13.118 -4.172 7.569 1.00 0.00 H new ATOM 0 HB3 SER A 60 13.840 -3.602 9.060 1.00 0.00 H new ATOM 0 HG SER A 60 11.621 -4.254 9.353 1.00 0.00 H new ATOM 931 N ARG A 61 13.740 -2.117 5.256 1.00 0.00 N ATOM 932 CA ARG A 61 13.316 -2.139 3.804 1.00 0.00 C ATOM 933 C ARG A 61 12.253 -3.226 3.562 1.00 0.00 C ATOM 934 O ARG A 61 11.363 -3.051 2.750 1.00 0.00 O ATOM 935 CB ARG A 61 14.576 -2.454 2.982 1.00 0.00 C ATOM 936 CG ARG A 61 15.446 -1.198 2.877 1.00 0.00 C ATOM 937 CD ARG A 61 16.085 -1.129 1.489 1.00 0.00 C ATOM 938 NE ARG A 61 16.980 0.060 1.535 1.00 0.00 N ATOM 939 CZ ARG A 61 18.270 -0.098 1.654 1.00 0.00 C ATOM 940 NH1 ARG A 61 19.011 -0.235 0.588 1.00 0.00 N ATOM 941 NH2 ARG A 61 18.818 -0.122 2.838 1.00 0.00 N ATOM 0 H ARG A 61 14.746 -2.172 5.413 1.00 0.00 H new ATOM 0 HA ARG A 61 12.879 -1.182 3.518 1.00 0.00 H new ATOM 0 HB2 ARG A 61 15.138 -3.260 3.453 1.00 0.00 H new ATOM 0 HB3 ARG A 61 14.297 -2.800 1.987 1.00 0.00 H new ATOM 0 HG2 ARG A 61 14.841 -0.309 3.054 1.00 0.00 H new ATOM 0 HG3 ARG A 61 16.220 -1.215 3.644 1.00 0.00 H new ATOM 0 HD2 ARG A 61 16.646 -2.037 1.267 1.00 0.00 H new ATOM 0 HD3 ARG A 61 15.329 -1.024 0.711 1.00 0.00 H new ATOM 0 HE ARG A 61 16.585 0.998 1.473 1.00 0.00 H new ATOM 0 HH11 ARG A 61 18.582 -0.218 -0.337 1.00 0.00 H new ATOM 0 HH12 ARG A 61 20.019 -0.359 0.680 1.00 0.00 H new ATOM 0 HH21 ARG A 61 18.238 -0.017 3.671 1.00 0.00 H new ATOM 0 HH22 ARG A 61 19.826 -0.246 2.931 1.00 0.00 H new ATOM 955 N ASP A 62 12.337 -4.345 4.254 1.00 0.00 N ATOM 956 CA ASP A 62 11.313 -5.434 4.039 1.00 0.00 C ATOM 957 C ASP A 62 9.897 -4.897 4.301 1.00 0.00 C ATOM 958 O ASP A 62 8.963 -5.245 3.603 1.00 0.00 O ATOM 959 CB ASP A 62 11.644 -6.558 5.034 1.00 0.00 C ATOM 960 CG ASP A 62 11.178 -7.899 4.462 1.00 0.00 C ATOM 961 OD1 ASP A 62 10.110 -7.929 3.871 1.00 0.00 O ATOM 962 OD2 ASP A 62 11.896 -8.872 4.626 1.00 0.00 O ATOM 0 H ASP A 62 13.056 -4.552 4.947 1.00 0.00 H new ATOM 0 HA ASP A 62 11.343 -5.797 3.012 1.00 0.00 H new ATOM 0 HB2 ASP A 62 12.717 -6.585 5.225 1.00 0.00 H new ATOM 0 HB3 ASP A 62 11.155 -6.368 5.989 1.00 0.00 H new ATOM 967 N THR A 63 9.727 -4.050 5.296 1.00 0.00 N ATOM 968 CA THR A 63 8.351 -3.502 5.575 1.00 0.00 C ATOM 969 C THR A 63 7.884 -2.646 4.389 1.00 0.00 C ATOM 970 O THR A 63 6.739 -2.725 3.981 1.00 0.00 O ATOM 971 CB THR A 63 8.462 -2.648 6.853 1.00 0.00 C ATOM 972 OG1 THR A 63 8.882 -3.475 7.931 1.00 0.00 O ATOM 973 CG2 THR A 63 7.102 -2.028 7.185 1.00 0.00 C ATOM 0 H THR A 63 10.465 -3.719 5.917 1.00 0.00 H new ATOM 0 HA THR A 63 7.623 -4.302 5.712 1.00 0.00 H new ATOM 0 HB THR A 63 9.188 -1.850 6.694 1.00 0.00 H new ATOM 0 HG1 THR A 63 9.831 -3.315 8.115 1.00 0.00 H new ATOM 0 HG21 THR A 63 7.188 -1.426 8.089 1.00 0.00 H new ATOM 0 HG22 THR A 63 6.778 -1.396 6.358 1.00 0.00 H new ATOM 0 HG23 THR A 63 6.370 -2.820 7.345 1.00 0.00 H new ATOM 981 N LEU A 64 8.757 -1.838 3.824 1.00 0.00 N ATOM 982 CA LEU A 64 8.333 -0.996 2.650 1.00 0.00 C ATOM 983 C LEU A 64 8.046 -1.913 1.458 1.00 0.00 C ATOM 984 O LEU A 64 7.042 -1.770 0.786 1.00 0.00 O ATOM 985 CB LEU A 64 9.502 -0.050 2.322 1.00 0.00 C ATOM 986 CG LEU A 64 9.817 0.842 3.537 1.00 0.00 C ATOM 987 CD1 LEU A 64 11.248 0.579 4.016 1.00 0.00 C ATOM 988 CD2 LEU A 64 9.687 2.318 3.144 1.00 0.00 C ATOM 0 H LEU A 64 9.727 -1.725 4.117 1.00 0.00 H new ATOM 0 HA LEU A 64 7.433 -0.423 2.873 1.00 0.00 H new ATOM 0 HB2 LEU A 64 10.384 -0.630 2.048 1.00 0.00 H new ATOM 0 HB3 LEU A 64 9.248 0.570 1.462 1.00 0.00 H new ATOM 0 HG LEU A 64 9.113 0.611 4.337 1.00 0.00 H new ATOM 0 HD11 LEU A 64 11.466 1.213 4.876 1.00 0.00 H new ATOM 0 HD12 LEU A 64 11.349 -0.468 4.302 1.00 0.00 H new ATOM 0 HD13 LEU A 64 11.948 0.805 3.212 1.00 0.00 H new ATOM 0 HD21 LEU A 64 9.911 2.945 4.007 1.00 0.00 H new ATOM 0 HD22 LEU A 64 10.388 2.543 2.340 1.00 0.00 H new ATOM 0 HD23 LEU A 64 8.670 2.516 2.805 1.00 0.00 H new ATOM 1000 N ALA A 65 8.915 -2.867 1.199 1.00 0.00 N ATOM 1001 CA ALA A 65 8.669 -3.808 0.045 1.00 0.00 C ATOM 1002 C ALA A 65 7.330 -4.544 0.239 1.00 0.00 C ATOM 1003 O ALA A 65 6.633 -4.823 -0.719 1.00 0.00 O ATOM 1004 CB ALA A 65 9.829 -4.815 0.037 1.00 0.00 C ATOM 0 H ALA A 65 9.772 -3.036 1.726 1.00 0.00 H new ATOM 0 HA ALA A 65 8.617 -3.265 -0.898 1.00 0.00 H new ATOM 0 HB1 ALA A 65 9.694 -5.519 -0.784 1.00 0.00 H new ATOM 0 HB2 ALA A 65 10.772 -4.283 -0.092 1.00 0.00 H new ATOM 0 HB3 ALA A 65 9.846 -5.358 0.982 1.00 0.00 H new ATOM 1010 N ASN A 66 6.961 -4.860 1.467 1.00 0.00 N ATOM 1011 CA ASN A 66 5.655 -5.581 1.692 1.00 0.00 C ATOM 1012 C ASN A 66 4.488 -4.745 1.145 1.00 0.00 C ATOM 1013 O ASN A 66 3.565 -5.282 0.562 1.00 0.00 O ATOM 1014 CB ASN A 66 5.504 -5.766 3.211 1.00 0.00 C ATOM 1015 CG ASN A 66 6.157 -7.089 3.632 1.00 0.00 C ATOM 1016 OD1 ASN A 66 5.692 -8.149 3.261 1.00 0.00 O ATOM 1017 ND2 ASN A 66 7.222 -7.080 4.396 1.00 0.00 N ATOM 0 H ASN A 66 7.497 -4.654 2.310 1.00 0.00 H new ATOM 0 HA ASN A 66 5.647 -6.542 1.178 1.00 0.00 H new ATOM 0 HB2 ASN A 66 5.971 -4.934 3.738 1.00 0.00 H new ATOM 0 HB3 ASN A 66 4.449 -5.765 3.485 1.00 0.00 H new ATOM 0 HD21 ASN A 66 7.656 -7.959 4.676 1.00 0.00 H new ATOM 0 HD22 ASN A 66 7.617 -6.194 4.710 1.00 0.00 H new ATOM 1024 N VAL A 67 4.518 -3.435 1.315 1.00 0.00 N ATOM 1025 CA VAL A 67 3.387 -2.596 0.777 1.00 0.00 C ATOM 1026 C VAL A 67 3.471 -2.537 -0.757 1.00 0.00 C ATOM 1027 O VAL A 67 2.461 -2.585 -1.435 1.00 0.00 O ATOM 1028 CB VAL A 67 3.534 -1.196 1.394 1.00 0.00 C ATOM 1029 CG1 VAL A 67 2.400 -0.296 0.898 1.00 0.00 C ATOM 1030 CG2 VAL A 67 3.461 -1.305 2.921 1.00 0.00 C ATOM 0 H VAL A 67 5.259 -2.921 1.792 1.00 0.00 H new ATOM 0 HA VAL A 67 2.416 -3.019 1.035 1.00 0.00 H new ATOM 0 HB VAL A 67 4.493 -0.769 1.100 1.00 0.00 H new ATOM 0 HG11 VAL A 67 2.505 0.697 1.336 1.00 0.00 H new ATOM 0 HG12 VAL A 67 2.445 -0.220 -0.188 1.00 0.00 H new ATOM 0 HG13 VAL A 67 1.441 -0.723 1.193 1.00 0.00 H new ATOM 0 HG21 VAL A 67 3.565 -0.314 3.362 1.00 0.00 H new ATOM 0 HG22 VAL A 67 2.500 -1.732 3.210 1.00 0.00 H new ATOM 0 HG23 VAL A 67 4.266 -1.947 3.279 1.00 0.00 H new ATOM 1040 N VAL A 68 4.662 -2.461 -1.320 1.00 0.00 N ATOM 1041 CA VAL A 68 4.765 -2.440 -2.823 1.00 0.00 C ATOM 1042 C VAL A 68 4.360 -3.821 -3.375 1.00 0.00 C ATOM 1043 O VAL A 68 3.773 -3.914 -4.436 1.00 0.00 O ATOM 1044 CB VAL A 68 6.231 -2.128 -3.167 1.00 0.00 C ATOM 1045 CG1 VAL A 68 6.402 -2.074 -4.688 1.00 0.00 C ATOM 1046 CG2 VAL A 68 6.618 -0.773 -2.566 1.00 0.00 C ATOM 0 H VAL A 68 5.548 -2.414 -0.817 1.00 0.00 H new ATOM 0 HA VAL A 68 4.106 -1.691 -3.263 1.00 0.00 H new ATOM 0 HB VAL A 68 6.872 -2.908 -2.757 1.00 0.00 H new ATOM 0 HG11 VAL A 68 7.442 -1.853 -4.930 1.00 0.00 H new ATOM 0 HG12 VAL A 68 6.126 -3.036 -5.120 1.00 0.00 H new ATOM 0 HG13 VAL A 68 5.760 -1.295 -5.099 1.00 0.00 H new ATOM 0 HG21 VAL A 68 7.657 -0.551 -2.809 1.00 0.00 H new ATOM 0 HG22 VAL A 68 5.975 0.005 -2.978 1.00 0.00 H new ATOM 0 HG23 VAL A 68 6.498 -0.808 -1.483 1.00 0.00 H new ATOM 1056 N GLN A 69 4.660 -4.898 -2.663 1.00 0.00 N ATOM 1057 CA GLN A 69 4.267 -6.260 -3.173 1.00 0.00 C ATOM 1058 C GLN A 69 2.739 -6.385 -3.222 1.00 0.00 C ATOM 1059 O GLN A 69 2.188 -6.840 -4.207 1.00 0.00 O ATOM 1060 CB GLN A 69 4.853 -7.291 -2.193 1.00 0.00 C ATOM 1061 CG GLN A 69 5.002 -8.639 -2.900 1.00 0.00 C ATOM 1062 CD GLN A 69 5.958 -9.534 -2.102 1.00 0.00 C ATOM 1063 OE1 GLN A 69 5.595 -10.045 -1.060 1.00 0.00 O ATOM 1064 NE2 GLN A 69 7.174 -9.749 -2.542 1.00 0.00 N ATOM 0 H GLN A 69 5.150 -4.890 -1.769 1.00 0.00 H new ATOM 0 HA GLN A 69 4.646 -6.423 -4.182 1.00 0.00 H new ATOM 0 HB2 GLN A 69 5.822 -6.951 -1.827 1.00 0.00 H new ATOM 0 HB3 GLN A 69 4.202 -7.394 -1.324 1.00 0.00 H new ATOM 0 HG2 GLN A 69 4.029 -9.121 -2.994 1.00 0.00 H new ATOM 0 HG3 GLN A 69 5.384 -8.491 -3.910 1.00 0.00 H new ATOM 0 HE21 GLN A 69 7.483 -9.323 -3.416 1.00 0.00 H new ATOM 0 HE22 GLN A 69 7.811 -10.343 -2.011 1.00 0.00 H new ATOM 1073 N THR A 70 2.043 -5.981 -2.176 1.00 0.00 N ATOM 1074 CA THR A 70 0.538 -6.091 -2.208 1.00 0.00 C ATOM 1075 C THR A 70 -0.036 -5.231 -3.350 1.00 0.00 C ATOM 1076 O THR A 70 -1.058 -5.571 -3.917 1.00 0.00 O ATOM 1077 CB THR A 70 0.005 -5.624 -0.839 1.00 0.00 C ATOM 1078 OG1 THR A 70 -1.411 -5.726 -0.828 1.00 0.00 O ATOM 1079 CG2 THR A 70 0.409 -4.173 -0.569 1.00 0.00 C ATOM 0 H THR A 70 2.438 -5.589 -1.321 1.00 0.00 H new ATOM 0 HA THR A 70 0.231 -7.120 -2.393 1.00 0.00 H new ATOM 0 HB THR A 70 0.433 -6.257 -0.062 1.00 0.00 H new ATOM 0 HG1 THR A 70 -1.753 -5.431 0.042 1.00 0.00 H new ATOM 0 HG21 THR A 70 0.023 -3.863 0.402 1.00 0.00 H new ATOM 0 HG22 THR A 70 1.496 -4.092 -0.570 1.00 0.00 H new ATOM 0 HG23 THR A 70 -0.004 -3.530 -1.346 1.00 0.00 H new ATOM 1087 N ALA A 71 0.615 -4.141 -3.719 1.00 0.00 N ATOM 1088 CA ALA A 71 0.081 -3.312 -4.858 1.00 0.00 C ATOM 1089 C ALA A 71 0.305 -4.068 -6.179 1.00 0.00 C ATOM 1090 O ALA A 71 -0.531 -4.030 -7.063 1.00 0.00 O ATOM 1091 CB ALA A 71 0.857 -1.985 -4.862 1.00 0.00 C ATOM 0 H ALA A 71 1.474 -3.797 -3.290 1.00 0.00 H new ATOM 0 HA ALA A 71 -0.987 -3.122 -4.746 1.00 0.00 H new ATOM 0 HB1 ALA A 71 0.497 -1.356 -5.676 1.00 0.00 H new ATOM 0 HB2 ALA A 71 0.705 -1.472 -3.912 1.00 0.00 H new ATOM 0 HB3 ALA A 71 1.919 -2.185 -5.001 1.00 0.00 H new ATOM 1097 N PHE A 72 1.414 -4.777 -6.316 1.00 0.00 N ATOM 1098 CA PHE A 72 1.648 -5.550 -7.586 1.00 0.00 C ATOM 1099 C PHE A 72 0.616 -6.681 -7.651 1.00 0.00 C ATOM 1100 O PHE A 72 -0.070 -6.847 -8.642 1.00 0.00 O ATOM 1101 CB PHE A 72 3.068 -6.136 -7.502 1.00 0.00 C ATOM 1102 CG PHE A 72 4.086 -5.119 -7.966 1.00 0.00 C ATOM 1103 CD1 PHE A 72 4.123 -3.841 -7.393 1.00 0.00 C ATOM 1104 CD2 PHE A 72 5.006 -5.462 -8.965 1.00 0.00 C ATOM 1105 CE1 PHE A 72 5.076 -2.910 -7.818 1.00 0.00 C ATOM 1106 CE2 PHE A 72 5.958 -4.529 -9.390 1.00 0.00 C ATOM 1107 CZ PHE A 72 5.992 -3.254 -8.815 1.00 0.00 C ATOM 0 H PHE A 72 2.152 -4.851 -5.616 1.00 0.00 H new ATOM 0 HA PHE A 72 1.551 -4.923 -8.472 1.00 0.00 H new ATOM 0 HB2 PHE A 72 3.285 -6.435 -6.477 1.00 0.00 H new ATOM 0 HB3 PHE A 72 3.135 -7.034 -8.117 1.00 0.00 H new ATOM 0 HD1 PHE A 72 3.415 -3.575 -6.622 1.00 0.00 H new ATOM 0 HD2 PHE A 72 4.980 -6.447 -9.407 1.00 0.00 H new ATOM 0 HE1 PHE A 72 5.104 -1.925 -7.375 1.00 0.00 H new ATOM 0 HE2 PHE A 72 6.666 -4.793 -10.161 1.00 0.00 H new ATOM 0 HZ PHE A 72 6.728 -2.534 -9.143 1.00 0.00 H new ATOM 1117 N PHE A 73 0.483 -7.447 -6.584 1.00 0.00 N ATOM 1118 CA PHE A 73 -0.539 -8.552 -6.581 1.00 0.00 C ATOM 1119 C PHE A 73 -1.939 -7.932 -6.741 1.00 0.00 C ATOM 1120 O PHE A 73 -2.774 -8.457 -7.454 1.00 0.00 O ATOM 1121 CB PHE A 73 -0.405 -9.267 -5.221 1.00 0.00 C ATOM 1122 CG PHE A 73 -1.465 -10.336 -5.079 1.00 0.00 C ATOM 1123 CD1 PHE A 73 -1.640 -11.294 -6.085 1.00 0.00 C ATOM 1124 CD2 PHE A 73 -2.273 -10.364 -3.936 1.00 0.00 C ATOM 1125 CE1 PHE A 73 -2.623 -12.280 -5.949 1.00 0.00 C ATOM 1126 CE2 PHE A 73 -3.257 -11.350 -3.800 1.00 0.00 C ATOM 1127 CZ PHE A 73 -3.432 -12.309 -4.805 1.00 0.00 C ATOM 0 H PHE A 73 1.030 -7.356 -5.728 1.00 0.00 H new ATOM 0 HA PHE A 73 -0.388 -9.260 -7.396 1.00 0.00 H new ATOM 0 HB2 PHE A 73 0.585 -9.714 -5.135 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -0.499 -8.543 -4.412 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -1.016 -11.272 -6.966 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -2.137 -9.625 -3.160 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -2.758 -13.019 -6.725 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -3.882 -11.371 -2.919 1.00 0.00 H new ATOM 0 HZ PHE A 73 -4.190 -13.071 -4.699 1.00 0.00 H new ATOM 1137 N ALA A 74 -2.201 -6.809 -6.091 1.00 0.00 N ATOM 1138 CA ALA A 74 -3.554 -6.163 -6.234 1.00 0.00 C ATOM 1139 C ALA A 74 -3.827 -5.838 -7.710 1.00 0.00 C ATOM 1140 O ALA A 74 -4.940 -5.982 -8.180 1.00 0.00 O ATOM 1141 CB ALA A 74 -3.522 -4.870 -5.404 1.00 0.00 C ATOM 0 H ALA A 74 -1.547 -6.322 -5.479 1.00 0.00 H new ATOM 0 HA ALA A 74 -4.344 -6.828 -5.886 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -4.486 -4.366 -5.478 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -3.318 -5.112 -4.361 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -2.739 -4.213 -5.783 1.00 0.00 H new ATOM 1147 N LEU A 75 -2.823 -5.404 -8.454 1.00 0.00 N ATOM 1148 CA LEU A 75 -3.062 -5.083 -9.912 1.00 0.00 C ATOM 1149 C LEU A 75 -3.641 -6.311 -10.631 1.00 0.00 C ATOM 1150 O LEU A 75 -4.535 -6.188 -11.448 1.00 0.00 O ATOM 1151 CB LEU A 75 -1.697 -4.703 -10.531 1.00 0.00 C ATOM 1152 CG LEU A 75 -1.577 -3.179 -10.675 1.00 0.00 C ATOM 1153 CD1 LEU A 75 -2.707 -2.641 -11.561 1.00 0.00 C ATOM 1154 CD2 LEU A 75 -1.650 -2.521 -9.292 1.00 0.00 C ATOM 0 H LEU A 75 -1.868 -5.260 -8.124 1.00 0.00 H new ATOM 0 HA LEU A 75 -3.773 -4.263 -10.015 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -0.889 -5.080 -9.904 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -1.589 -5.176 -11.507 1.00 0.00 H new ATOM 0 HG LEU A 75 -0.619 -2.943 -11.139 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -2.611 -1.559 -11.656 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -2.645 -3.099 -12.548 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -3.669 -2.882 -11.110 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -1.564 -1.440 -9.399 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -2.603 -2.765 -8.823 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -0.834 -2.890 -8.670 1.00 0.00 H new ATOM 1166 N GLU A 76 -3.152 -7.494 -10.325 1.00 0.00 N ATOM 1167 CA GLU A 76 -3.707 -8.722 -10.998 1.00 0.00 C ATOM 1168 C GLU A 76 -5.130 -8.981 -10.487 1.00 0.00 C ATOM 1169 O GLU A 76 -6.016 -9.309 -11.253 1.00 0.00 O ATOM 1170 CB GLU A 76 -2.782 -9.892 -10.629 1.00 0.00 C ATOM 1171 CG GLU A 76 -1.395 -9.656 -11.231 1.00 0.00 C ATOM 1172 CD GLU A 76 -0.377 -10.566 -10.541 1.00 0.00 C ATOM 1173 OE1 GLU A 76 -0.637 -11.755 -10.455 1.00 0.00 O ATOM 1174 OE2 GLU A 76 0.645 -10.058 -10.110 1.00 0.00 O ATOM 0 H GLU A 76 -2.406 -7.663 -9.651 1.00 0.00 H new ATOM 0 HA GLU A 76 -3.752 -8.600 -12.080 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -2.709 -9.984 -9.545 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -3.197 -10.829 -11.001 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -1.413 -9.859 -12.302 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -1.107 -8.612 -11.109 1.00 0.00 H new ATOM 1181 N ALA A 77 -5.362 -8.821 -9.200 1.00 0.00 N ATOM 1182 CA ALA A 77 -6.750 -9.047 -8.661 1.00 0.00 C ATOM 1183 C ALA A 77 -7.704 -7.984 -9.225 1.00 0.00 C ATOM 1184 O ALA A 77 -8.845 -8.275 -9.533 1.00 0.00 O ATOM 1185 CB ALA A 77 -6.661 -8.928 -7.132 1.00 0.00 C ATOM 0 H ALA A 77 -4.663 -8.548 -8.509 1.00 0.00 H new ATOM 0 HA ALA A 77 -7.132 -10.027 -8.949 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -7.648 -9.085 -6.697 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -5.971 -9.680 -6.748 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -6.301 -7.935 -6.865 1.00 0.00 H new ATOM 1191 N LEU A 78 -7.250 -6.752 -9.373 1.00 0.00 N ATOM 1192 CA LEU A 78 -8.162 -5.690 -9.935 1.00 0.00 C ATOM 1193 C LEU A 78 -8.553 -6.058 -11.376 1.00 0.00 C ATOM 1194 O LEU A 78 -9.686 -5.867 -11.778 1.00 0.00 O ATOM 1195 CB LEU A 78 -7.383 -4.355 -9.919 1.00 0.00 C ATOM 1196 CG LEU A 78 -8.273 -3.225 -9.378 1.00 0.00 C ATOM 1197 CD1 LEU A 78 -9.528 -3.082 -10.248 1.00 0.00 C ATOM 1198 CD2 LEU A 78 -8.680 -3.535 -7.930 1.00 0.00 C ATOM 0 H LEU A 78 -6.308 -6.441 -9.135 1.00 0.00 H new ATOM 0 HA LEU A 78 -9.074 -5.605 -9.344 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -6.492 -4.454 -9.299 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -7.046 -4.111 -10.926 1.00 0.00 H new ATOM 0 HG LEU A 78 -7.714 -2.290 -9.404 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -10.152 -2.279 -9.857 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -9.236 -2.849 -11.272 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -10.089 -4.017 -10.234 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -9.311 -2.732 -7.549 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -9.232 -4.475 -7.900 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -7.787 -3.619 -7.311 1.00 0.00 H new ATOM 1210 N GLN A 79 -7.630 -6.588 -12.159 1.00 0.00 N ATOM 1211 CA GLN A 79 -7.982 -6.964 -13.577 1.00 0.00 C ATOM 1212 C GLN A 79 -9.148 -7.970 -13.597 1.00 0.00 C ATOM 1213 O GLN A 79 -9.961 -7.952 -14.504 1.00 0.00 O ATOM 1214 CB GLN A 79 -6.725 -7.603 -14.192 1.00 0.00 C ATOM 1215 CG GLN A 79 -5.851 -6.514 -14.815 1.00 0.00 C ATOM 1216 CD GLN A 79 -4.432 -7.055 -15.027 1.00 0.00 C ATOM 1217 OE1 GLN A 79 -4.220 -7.909 -15.865 1.00 0.00 O ATOM 1218 NE2 GLN A 79 -3.441 -6.596 -14.301 1.00 0.00 N ATOM 0 H GLN A 79 -6.665 -6.774 -11.884 1.00 0.00 H new ATOM 0 HA GLN A 79 -8.296 -6.086 -14.142 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -6.165 -8.139 -13.426 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -7.009 -8.334 -14.949 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -6.275 -6.193 -15.766 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -5.825 -5.639 -14.166 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -3.614 -5.879 -13.596 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -2.497 -6.956 -14.441 1.00 0.00 H new ATOM 1227 N GLN A 80 -9.243 -8.845 -12.614 1.00 0.00 N ATOM 1228 CA GLN A 80 -10.375 -9.840 -12.611 1.00 0.00 C ATOM 1229 C GLN A 80 -11.676 -9.159 -12.164 1.00 0.00 C ATOM 1230 O GLN A 80 -12.656 -9.161 -12.884 1.00 0.00 O ATOM 1231 CB GLN A 80 -9.985 -10.950 -11.622 1.00 0.00 C ATOM 1232 CG GLN A 80 -10.949 -12.129 -11.771 1.00 0.00 C ATOM 1233 CD GLN A 80 -10.592 -13.214 -10.748 1.00 0.00 C ATOM 1234 OE1 GLN A 80 -9.858 -14.131 -11.056 1.00 0.00 O ATOM 1235 NE2 GLN A 80 -11.084 -13.155 -9.533 1.00 0.00 N ATOM 0 H GLN A 80 -8.598 -8.913 -11.827 1.00 0.00 H new ATOM 0 HA GLN A 80 -10.543 -10.248 -13.608 1.00 0.00 H new ATOM 0 HB2 GLN A 80 -8.962 -11.277 -11.811 1.00 0.00 H new ATOM 0 HB3 GLN A 80 -10.015 -10.569 -10.601 1.00 0.00 H new ATOM 0 HG2 GLN A 80 -11.975 -11.795 -11.619 1.00 0.00 H new ATOM 0 HG3 GLN A 80 -10.892 -12.534 -12.781 1.00 0.00 H new ATOM 0 HE21 GLN A 80 -11.701 -12.387 -9.269 1.00 0.00 H new ATOM 0 HE22 GLN A 80 -10.849 -13.877 -8.852 1.00 0.00 H new ATOM 1244 N GLY A 81 -11.694 -8.576 -10.986 1.00 0.00 N ATOM 1245 CA GLY A 81 -12.936 -7.897 -10.507 1.00 0.00 C ATOM 1246 C GLY A 81 -13.103 -8.119 -8.997 1.00 0.00 C ATOM 1247 O GLY A 81 -13.927 -8.909 -8.573 1.00 0.00 O ATOM 0 H GLY A 81 -10.905 -8.543 -10.341 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -12.884 -6.830 -10.723 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -13.803 -8.288 -11.039 1.00 0.00 H new ATOM 1251 N GLU A 82 -12.336 -7.428 -8.177 1.00 0.00 N ATOM 1252 CA GLU A 82 -12.466 -7.605 -6.698 1.00 0.00 C ATOM 1253 C GLU A 82 -12.934 -6.292 -6.051 1.00 0.00 C ATOM 1254 O GLU A 82 -13.111 -5.297 -6.729 1.00 0.00 O ATOM 1255 CB GLU A 82 -11.062 -7.972 -6.216 1.00 0.00 C ATOM 1256 CG GLU A 82 -10.911 -9.496 -6.201 1.00 0.00 C ATOM 1257 CD GLU A 82 -9.992 -9.905 -5.048 1.00 0.00 C ATOM 1258 OE1 GLU A 82 -9.020 -9.206 -4.813 1.00 0.00 O ATOM 1259 OE2 GLU A 82 -10.275 -10.912 -4.420 1.00 0.00 O ATOM 0 H GLU A 82 -11.630 -6.753 -8.472 1.00 0.00 H new ATOM 0 HA GLU A 82 -13.197 -8.369 -6.434 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -10.313 -7.528 -6.872 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -10.891 -7.569 -5.218 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -11.887 -9.968 -6.088 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -10.498 -9.841 -7.149 1.00 0.00 H new ATOM 1266 N SER A 83 -13.137 -6.274 -4.748 1.00 0.00 N ATOM 1267 CA SER A 83 -13.590 -5.015 -4.082 1.00 0.00 C ATOM 1268 C SER A 83 -12.524 -4.516 -3.095 1.00 0.00 C ATOM 1269 O SER A 83 -11.974 -5.286 -2.331 1.00 0.00 O ATOM 1270 CB SER A 83 -14.868 -5.389 -3.332 1.00 0.00 C ATOM 1271 OG SER A 83 -14.835 -6.773 -2.998 1.00 0.00 O ATOM 0 H SER A 83 -13.008 -7.073 -4.127 1.00 0.00 H new ATOM 0 HA SER A 83 -13.759 -4.215 -4.803 1.00 0.00 H new ATOM 0 HB2 SER A 83 -14.961 -4.788 -2.427 1.00 0.00 H new ATOM 0 HB3 SER A 83 -15.741 -5.174 -3.949 1.00 0.00 H new ATOM 0 HG SER A 83 -15.654 -7.013 -2.516 1.00 0.00 H new ATOM 1277 N ALA A 84 -12.234 -3.232 -3.100 1.00 0.00 N ATOM 1278 CA ALA A 84 -11.203 -2.694 -2.148 1.00 0.00 C ATOM 1279 C ALA A 84 -11.872 -2.093 -0.893 1.00 0.00 C ATOM 1280 O ALA A 84 -11.312 -2.146 0.186 1.00 0.00 O ATOM 1281 CB ALA A 84 -10.439 -1.612 -2.925 1.00 0.00 C ATOM 0 H ALA A 84 -12.662 -2.540 -3.715 1.00 0.00 H new ATOM 0 HA ALA A 84 -10.537 -3.483 -1.798 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -9.670 -1.179 -2.285 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -9.971 -2.057 -3.804 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -11.132 -0.832 -3.239 1.00 0.00 H new ATOM 1287 N GLU A 85 -13.060 -1.522 -1.012 1.00 0.00 N ATOM 1288 CA GLU A 85 -13.731 -0.925 0.204 1.00 0.00 C ATOM 1289 C GLU A 85 -13.869 -1.977 1.316 1.00 0.00 C ATOM 1290 O GLU A 85 -13.718 -1.667 2.484 1.00 0.00 O ATOM 1291 CB GLU A 85 -15.123 -0.450 -0.246 1.00 0.00 C ATOM 1292 CG GLU A 85 -15.588 0.696 0.657 1.00 0.00 C ATOM 1293 CD GLU A 85 -15.062 2.023 0.108 1.00 0.00 C ATOM 1294 OE1 GLU A 85 -15.040 2.173 -1.103 1.00 0.00 O ATOM 1295 OE2 GLU A 85 -14.692 2.867 0.907 1.00 0.00 O ATOM 0 H GLU A 85 -13.586 -1.444 -1.883 1.00 0.00 H new ATOM 0 HA GLU A 85 -13.141 -0.100 0.604 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -15.088 -0.118 -1.284 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -15.833 -1.275 -0.199 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -16.677 0.716 0.706 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -15.226 0.542 1.674 1.00 0.00 H new ATOM 1302 N ASN A 86 -14.151 -3.216 0.972 1.00 0.00 N ATOM 1303 CA ASN A 86 -14.292 -4.277 2.038 1.00 0.00 C ATOM 1304 C ASN A 86 -13.002 -4.368 2.869 1.00 0.00 C ATOM 1305 O ASN A 86 -13.052 -4.550 4.072 1.00 0.00 O ATOM 1306 CB ASN A 86 -14.547 -5.609 1.310 1.00 0.00 C ATOM 1307 CG ASN A 86 -15.879 -5.540 0.550 1.00 0.00 C ATOM 1308 OD1 ASN A 86 -16.407 -4.468 0.325 1.00 0.00 O ATOM 1309 ND2 ASN A 86 -16.453 -6.644 0.137 1.00 0.00 N ATOM 0 H ASN A 86 -14.289 -3.539 0.014 1.00 0.00 H new ATOM 0 HA ASN A 86 -15.110 -4.040 2.718 1.00 0.00 H new ATOM 0 HB2 ASN A 86 -13.732 -5.816 0.616 1.00 0.00 H new ATOM 0 HB3 ASN A 86 -14.570 -6.428 2.029 1.00 0.00 H new ATOM 0 HD21 ASN A 86 -17.337 -6.600 -0.370 1.00 0.00 H new ATOM 0 HD22 ASN A 86 -16.015 -7.547 0.322 1.00 0.00 H new ATOM 1316 N ILE A 87 -11.847 -4.235 2.247 1.00 0.00 N ATOM 1317 CA ILE A 87 -10.566 -4.310 3.037 1.00 0.00 C ATOM 1318 C ILE A 87 -10.518 -3.159 4.061 1.00 0.00 C ATOM 1319 O ILE A 87 -10.040 -3.337 5.166 1.00 0.00 O ATOM 1320 CB ILE A 87 -9.409 -4.185 2.026 1.00 0.00 C ATOM 1321 CG1 ILE A 87 -9.471 -5.352 1.033 1.00 0.00 C ATOM 1322 CG2 ILE A 87 -8.066 -4.222 2.764 1.00 0.00 C ATOM 1323 CD1 ILE A 87 -9.049 -4.866 -0.356 1.00 0.00 C ATOM 0 H ILE A 87 -11.735 -4.081 1.245 1.00 0.00 H new ATOM 0 HA ILE A 87 -10.493 -5.248 3.588 1.00 0.00 H new ATOM 0 HB ILE A 87 -9.502 -3.240 1.491 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -8.815 -6.158 1.362 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -10.482 -5.758 0.996 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -7.253 -4.133 2.044 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -8.017 -3.394 3.471 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -7.973 -5.165 3.302 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -9.093 -5.696 -1.061 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -9.722 -4.074 -0.685 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -8.030 -4.481 -0.313 1.00 0.00 H new ATOM 1335 N VAL A 88 -11.008 -1.983 3.712 1.00 0.00 N ATOM 1336 CA VAL A 88 -10.973 -0.839 4.698 1.00 0.00 C ATOM 1337 C VAL A 88 -11.746 -1.216 5.973 1.00 0.00 C ATOM 1338 O VAL A 88 -11.337 -0.873 7.067 1.00 0.00 O ATOM 1339 CB VAL A 88 -11.630 0.373 4.010 1.00 0.00 C ATOM 1340 CG1 VAL A 88 -11.639 1.572 4.963 1.00 0.00 C ATOM 1341 CG2 VAL A 88 -10.832 0.739 2.758 1.00 0.00 C ATOM 0 H VAL A 88 -11.423 -1.767 2.806 1.00 0.00 H new ATOM 0 HA VAL A 88 -9.948 -0.607 4.989 1.00 0.00 H new ATOM 0 HB VAL A 88 -12.654 0.117 3.738 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -12.105 2.425 4.470 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -12.203 1.319 5.861 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -10.615 1.826 5.238 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -11.295 1.596 2.269 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -9.809 0.990 3.039 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -10.822 -0.108 2.072 1.00 0.00 H new ATOM 1351 N SER A 89 -12.854 -1.923 5.851 1.00 0.00 N ATOM 1352 CA SER A 89 -13.629 -2.311 7.088 1.00 0.00 C ATOM 1353 C SER A 89 -12.720 -3.108 8.037 1.00 0.00 C ATOM 1354 O SER A 89 -12.734 -2.895 9.235 1.00 0.00 O ATOM 1355 CB SER A 89 -14.805 -3.183 6.622 1.00 0.00 C ATOM 1356 OG SER A 89 -15.778 -2.359 5.992 1.00 0.00 O ATOM 0 H SER A 89 -13.250 -2.243 4.967 1.00 0.00 H new ATOM 0 HA SER A 89 -13.988 -1.432 7.623 1.00 0.00 H new ATOM 0 HB2 SER A 89 -14.454 -3.947 5.928 1.00 0.00 H new ATOM 0 HB3 SER A 89 -15.247 -3.703 7.472 1.00 0.00 H new ATOM 0 HG SER A 89 -16.530 -2.912 5.691 1.00 0.00 H new ATOM 1362 N LYS A 90 -11.914 -4.008 7.511 1.00 0.00 N ATOM 1363 CA LYS A 90 -10.989 -4.790 8.406 1.00 0.00 C ATOM 1364 C LYS A 90 -9.894 -3.864 8.961 1.00 0.00 C ATOM 1365 O LYS A 90 -9.455 -4.032 10.084 1.00 0.00 O ATOM 1366 CB LYS A 90 -10.365 -5.899 7.545 1.00 0.00 C ATOM 1367 CG LYS A 90 -10.155 -7.151 8.400 1.00 0.00 C ATOM 1368 CD LYS A 90 -10.024 -8.375 7.491 1.00 0.00 C ATOM 1369 CE LYS A 90 -8.617 -8.420 6.893 1.00 0.00 C ATOM 1370 NZ LYS A 90 -7.768 -9.029 7.955 1.00 0.00 N ATOM 0 H LYS A 90 -11.856 -4.233 6.518 1.00 0.00 H new ATOM 0 HA LYS A 90 -11.527 -5.216 9.253 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -11.015 -6.127 6.700 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -9.413 -5.563 7.133 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -9.259 -7.041 9.011 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -10.993 -7.281 9.085 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -10.218 -9.285 8.059 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -10.767 -8.331 6.695 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -8.595 -9.015 5.980 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -8.267 -7.421 6.631 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -6.865 -8.517 8.013 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -8.260 -8.969 8.870 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -7.586 -10.027 7.725 1.00 0.00 H new ATOM 1384 N ILE A 91 -9.454 -2.878 8.198 1.00 0.00 N ATOM 1385 CA ILE A 91 -8.395 -1.951 8.726 1.00 0.00 C ATOM 1386 C ILE A 91 -8.998 -1.043 9.807 1.00 0.00 C ATOM 1387 O ILE A 91 -8.363 -0.767 10.809 1.00 0.00 O ATOM 1388 CB ILE A 91 -7.889 -1.116 7.530 1.00 0.00 C ATOM 1389 CG1 ILE A 91 -7.309 -2.037 6.443 1.00 0.00 C ATOM 1390 CG2 ILE A 91 -6.801 -0.149 8.002 1.00 0.00 C ATOM 1391 CD1 ILE A 91 -6.196 -2.915 7.028 1.00 0.00 C ATOM 0 H ILE A 91 -9.777 -2.680 7.251 1.00 0.00 H new ATOM 0 HA ILE A 91 -7.571 -2.503 9.178 1.00 0.00 H new ATOM 0 HB ILE A 91 -8.727 -0.556 7.115 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -8.098 -2.665 6.030 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -6.915 -1.438 5.621 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -6.445 0.439 7.156 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -7.211 0.517 8.761 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -5.971 -0.714 8.426 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -5.795 -3.562 6.248 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -5.400 -2.281 7.419 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -6.601 -3.527 7.834 1.00 0.00 H new ATOM 1403 N ARG A 92 -10.220 -0.582 9.624 1.00 0.00 N ATOM 1404 CA ARG A 92 -10.841 0.300 10.675 1.00 0.00 C ATOM 1405 C ARG A 92 -11.019 -0.491 11.977 1.00 0.00 C ATOM 1406 O ARG A 92 -10.799 0.033 13.054 1.00 0.00 O ATOM 1407 CB ARG A 92 -12.205 0.754 10.132 1.00 0.00 C ATOM 1408 CG ARG A 92 -12.024 2.014 9.281 1.00 0.00 C ATOM 1409 CD ARG A 92 -13.382 2.684 9.066 1.00 0.00 C ATOM 1410 NE ARG A 92 -13.617 3.481 10.302 1.00 0.00 N ATOM 1411 CZ ARG A 92 -12.970 4.599 10.491 1.00 0.00 C ATOM 1412 NH1 ARG A 92 -13.349 5.684 9.872 1.00 0.00 N ATOM 1413 NH2 ARG A 92 -11.946 4.632 11.298 1.00 0.00 N ATOM 0 H ARG A 92 -10.804 -0.773 8.810 1.00 0.00 H new ATOM 0 HA ARG A 92 -10.209 1.161 10.891 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -12.653 -0.040 9.534 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -12.888 0.955 10.957 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -11.340 2.704 9.775 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -11.578 1.756 8.321 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -13.373 3.321 8.181 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -14.168 1.944 8.918 1.00 0.00 H new ATOM 0 HE ARG A 92 -14.284 3.153 11.001 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -14.150 5.658 9.241 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -12.844 6.558 10.019 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -11.650 3.784 11.782 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -11.441 5.506 11.445 1.00 0.00 H new ATOM 1427 N MET A 93 -11.399 -1.751 11.896 1.00 0.00 N ATOM 1428 CA MET A 93 -11.563 -2.556 13.156 1.00 0.00 C ATOM 1429 C MET A 93 -10.179 -2.878 13.738 1.00 0.00 C ATOM 1430 O MET A 93 -9.983 -2.827 14.938 1.00 0.00 O ATOM 1431 CB MET A 93 -12.300 -3.849 12.771 1.00 0.00 C ATOM 1432 CG MET A 93 -13.275 -4.231 13.886 1.00 0.00 C ATOM 1433 SD MET A 93 -12.361 -4.968 15.263 1.00 0.00 S ATOM 1434 CE MET A 93 -13.787 -5.315 16.321 1.00 0.00 C ATOM 0 H MET A 93 -11.599 -2.249 11.028 1.00 0.00 H new ATOM 0 HA MET A 93 -12.128 -2.008 13.910 1.00 0.00 H new ATOM 0 HB2 MET A 93 -12.839 -3.708 11.834 1.00 0.00 H new ATOM 0 HB3 MET A 93 -11.583 -4.654 12.608 1.00 0.00 H new ATOM 0 HG2 MET A 93 -13.818 -3.349 14.227 1.00 0.00 H new ATOM 0 HG3 MET A 93 -14.016 -4.936 13.509 1.00 0.00 H new ATOM 0 HE1 MET A 93 -13.449 -5.782 17.246 1.00 0.00 H new ATOM 0 HE2 MET A 93 -14.304 -4.384 16.552 1.00 0.00 H new ATOM 0 HE3 MET A 93 -14.469 -5.989 15.803 1.00 0.00 H new ATOM 1444 N MET A 94 -9.212 -3.193 12.899 1.00 0.00 N ATOM 1445 CA MET A 94 -7.837 -3.494 13.431 1.00 0.00 C ATOM 1446 C MET A 94 -7.195 -2.209 13.974 1.00 0.00 C ATOM 1447 O MET A 94 -6.501 -2.240 14.975 1.00 0.00 O ATOM 1448 CB MET A 94 -7.014 -4.048 12.256 1.00 0.00 C ATOM 1449 CG MET A 94 -6.038 -5.107 12.771 1.00 0.00 C ATOM 1450 SD MET A 94 -4.539 -4.301 13.382 1.00 0.00 S ATOM 1451 CE MET A 94 -3.416 -4.906 12.098 1.00 0.00 C ATOM 0 H MET A 94 -9.312 -3.254 11.886 1.00 0.00 H new ATOM 0 HA MET A 94 -7.879 -4.216 14.246 1.00 0.00 H new ATOM 0 HB2 MET A 94 -7.676 -4.482 11.507 1.00 0.00 H new ATOM 0 HB3 MET A 94 -6.467 -3.241 11.769 1.00 0.00 H new ATOM 0 HG2 MET A 94 -6.502 -5.687 13.568 1.00 0.00 H new ATOM 0 HG3 MET A 94 -5.788 -5.805 11.972 1.00 0.00 H new ATOM 0 HE1 MET A 94 -2.412 -4.522 12.282 1.00 0.00 H new ATOM 0 HE2 MET A 94 -3.397 -5.996 12.115 1.00 0.00 H new ATOM 0 HE3 MET A 94 -3.761 -4.565 11.122 1.00 0.00 H new ATOM 1461 N ASN A 95 -7.424 -1.075 13.338 1.00 0.00 N ATOM 1462 CA ASN A 95 -6.815 0.202 13.861 1.00 0.00 C ATOM 1463 C ASN A 95 -7.482 0.589 15.191 1.00 0.00 C ATOM 1464 O ASN A 95 -6.824 1.071 16.093 1.00 0.00 O ATOM 1465 CB ASN A 95 -7.050 1.299 12.803 1.00 0.00 C ATOM 1466 CG ASN A 95 -5.742 1.577 12.047 1.00 0.00 C ATOM 1467 OD1 ASN A 95 -5.495 0.960 10.917 1.00 0.00 O flip ATOM 1468 ND2 ASN A 95 -4.933 2.367 12.491 1.00 0.00 N flip ATOM 0 H ASN A 95 -7.994 -0.978 12.497 1.00 0.00 H new ATOM 0 HA ASN A 95 -5.747 0.076 14.042 1.00 0.00 H new ATOM 0 HB2 ASN A 95 -7.825 0.984 12.105 1.00 0.00 H new ATOM 0 HB3 ASN A 95 -7.405 2.211 13.283 1.00 0.00 H new ATOM 0 HD21 ASN A 95 -5.121 2.850 13.370 1.00 0.00 H new ATOM 0 HD22 ASN A 95 -4.066 2.548 11.985 1.00 0.00 H new