USER MOD reduce.3.24.130724 H: found=0, std=0, add=568, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 569 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 98 ASN : amide:sc= 0.69 K(o=1.8,f=-0.22) USER MOD Set 1.2: A 100 TYR OH : rot 180:sc= 1.07 USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 HIS : no HD1:sc=-0.00651 X(o=-0.0065,f=0) USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 THR OG1 : rot 180:sc= -0.132 USER MOD Single : A 52 ASN : amide:sc= 1.14 K(o=1.1,f=-0.14) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 180:sc= -0.377 USER MOD Single : A 61 ASN : amide:sc= 0.987 K(o=0.99,f=-2.1!) USER MOD Single : A 62 THR OG1 : rot 133:sc= 1.02 USER MOD Single : A 63 THR OG1 : rot 180:sc= -0.195 USER MOD Single : A 66 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 69 THR OG1 : rot -119:sc= 0.47 USER MOD Single : A 73 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 87 TYR OH : rot 180:sc= 0 USER MOD Single : A 89 ASN : amide:sc= 1.05 K(o=1,f=-7.4!) USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 ASN : amide:sc= -0.185 K(o=-0.18,f=-2.1!) USER MOD Single : A 95 THR OG1 : rot 180:sc= -0.0605 USER MOD Single : A 96 THR OG1 : rot 40:sc= 0.655 USER MOD Single : A 106 ASN : amide:sc= -0.112 X(o=-0.11,f=-0.0099) USER MOD Single : A 108 THR OG1 : rot 180:sc= -0.859 USER MOD Single : A 111 SER OG : rot 180:sc= -0.622 USER MOD Single : A 114 ASN : amide:sc= -3.09! C(o=-3.1!,f=-6.7!) USER MOD Single : A 115 TYR OH : rot 0:sc= -0.0834 USER MOD Single : A 116 SER OG : rot 180:sc= 0.118 USER MOD Single : A 117 HIS : no HE2:sc= 0.831 K(o=0.83,f=-5.6!) USER MOD ----------------------------------------------------------------- ATOM 1 N TYR A 44 -2.835 11.779 -3.009 1.00 0.00 N ATOM 2 CA TYR A 44 -2.101 11.046 -4.086 1.00 0.00 C ATOM 3 C TYR A 44 -2.943 9.930 -4.702 1.00 0.00 C ATOM 4 O TYR A 44 -2.909 9.704 -5.909 1.00 0.00 O ATOM 5 CB TYR A 44 -0.805 10.472 -3.498 1.00 0.00 C ATOM 6 CG TYR A 44 0.313 10.315 -4.508 1.00 0.00 C ATOM 7 CD1 TYR A 44 0.141 9.550 -5.655 1.00 0.00 C ATOM 8 CD2 TYR A 44 1.543 10.931 -4.311 1.00 0.00 C ATOM 9 CE1 TYR A 44 1.163 9.405 -6.576 1.00 0.00 C ATOM 10 CE2 TYR A 44 2.568 10.790 -5.229 1.00 0.00 C ATOM 11 CZ TYR A 44 2.370 10.026 -6.358 1.00 0.00 C ATOM 12 OH TYR A 44 3.386 9.882 -7.273 1.00 0.00 O ATOM 0 HA TYR A 44 -1.875 11.749 -4.888 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -0.464 11.122 -2.692 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -1.019 9.500 -3.054 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -0.806 9.061 -5.830 1.00 0.00 H new ATOM 0 HD2 TYR A 44 1.701 11.530 -3.426 1.00 0.00 H new ATOM 0 HE1 TYR A 44 1.013 8.807 -7.462 1.00 0.00 H new ATOM 0 HE2 TYR A 44 3.518 11.276 -5.062 1.00 0.00 H new ATOM 0 HH TYR A 44 4.171 10.384 -6.971 1.00 0.00 H new ATOM 22 N CYS A 45 -3.689 9.240 -3.861 1.00 0.00 N ATOM 23 CA CYS A 45 -4.540 8.135 -4.309 1.00 0.00 C ATOM 24 C CYS A 45 -5.892 8.630 -4.826 1.00 0.00 C ATOM 25 O CYS A 45 -6.268 9.783 -4.617 1.00 0.00 O ATOM 26 CB CYS A 45 -4.752 7.135 -3.174 1.00 0.00 C ATOM 27 SG CYS A 45 -3.290 6.115 -2.813 1.00 0.00 S ATOM 0 H CYS A 45 -3.728 9.420 -2.858 1.00 0.00 H new ATOM 0 HA CYS A 45 -4.027 7.643 -5.135 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -5.037 7.678 -2.273 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -5.586 6.481 -3.429 1.00 0.00 H new ATOM 32 N HIS A 46 -6.614 7.737 -5.503 1.00 0.00 N ATOM 33 CA HIS A 46 -7.926 8.053 -6.061 1.00 0.00 C ATOM 34 C HIS A 46 -8.999 8.117 -4.969 1.00 0.00 C ATOM 35 O HIS A 46 -8.689 8.181 -3.778 1.00 0.00 O ATOM 36 CB HIS A 46 -8.302 6.993 -7.103 1.00 0.00 C ATOM 37 CG HIS A 46 -8.296 7.500 -8.511 1.00 0.00 C ATOM 38 ND1 HIS A 46 -9.316 7.251 -9.404 1.00 0.00 N ATOM 39 CD2 HIS A 46 -7.387 8.247 -9.178 1.00 0.00 C ATOM 40 CE1 HIS A 46 -9.033 7.822 -10.562 1.00 0.00 C ATOM 41 NE2 HIS A 46 -7.868 8.433 -10.452 1.00 0.00 N ATOM 0 H HIS A 46 -6.307 6.780 -5.679 1.00 0.00 H new ATOM 0 HA HIS A 46 -7.873 9.035 -6.532 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -7.606 6.158 -7.025 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -9.294 6.605 -6.871 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -6.456 8.627 -8.783 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -9.650 7.794 -11.448 1.00 0.00 H new ATOM 0 HE2 HIS A 46 -7.401 8.958 -11.192 1.00 0.00 H new ATOM 50 N ARG A 47 -10.263 8.090 -5.387 1.00 0.00 N ATOM 51 CA ARG A 47 -11.384 8.131 -4.456 1.00 0.00 C ATOM 52 C ARG A 47 -11.679 6.737 -3.902 1.00 0.00 C ATOM 53 O ARG A 47 -10.990 5.762 -4.225 1.00 0.00 O ATOM 54 CB ARG A 47 -12.630 8.690 -5.150 1.00 0.00 C ATOM 55 CG ARG A 47 -12.619 10.200 -5.297 1.00 0.00 C ATOM 56 CD ARG A 47 -12.119 10.621 -6.666 1.00 0.00 C ATOM 57 NE ARG A 47 -12.108 12.075 -6.810 1.00 0.00 N ATOM 58 CZ ARG A 47 -12.202 12.717 -7.968 1.00 0.00 C ATOM 59 NH1 ARG A 47 -12.272 12.050 -9.105 1.00 0.00 N ATOM 60 NH2 ARG A 47 -12.221 14.034 -7.988 1.00 0.00 N ATOM 0 H ARG A 47 -10.535 8.040 -6.369 1.00 0.00 H new ATOM 0 HA ARG A 47 -11.114 8.785 -3.627 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -12.719 8.238 -6.138 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -13.514 8.395 -4.584 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -13.625 10.589 -5.140 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -11.984 10.637 -4.526 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -11.113 10.232 -6.822 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -12.754 10.183 -7.436 1.00 0.00 H new ATOM 0 HE ARG A 47 -12.022 12.635 -5.962 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -12.254 11.030 -9.100 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -12.344 12.554 -9.989 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -12.164 14.558 -7.115 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -12.293 14.530 -8.877 1.00 0.00 H new ATOM 74 N THR A 48 -12.706 6.649 -3.067 1.00 0.00 N ATOM 75 CA THR A 48 -13.104 5.380 -2.466 1.00 0.00 C ATOM 76 C THR A 48 -14.504 4.962 -2.928 1.00 0.00 C ATOM 77 O THR A 48 -15.233 4.284 -2.202 1.00 0.00 O ATOM 78 CB THR A 48 -13.050 5.494 -0.942 1.00 0.00 C ATOM 79 OG1 THR A 48 -13.961 6.474 -0.481 1.00 0.00 O ATOM 80 CG2 THR A 48 -11.682 5.876 -0.431 1.00 0.00 C ATOM 0 H THR A 48 -13.281 7.444 -2.789 1.00 0.00 H new ATOM 0 HA THR A 48 -12.407 4.608 -2.792 1.00 0.00 H new ATOM 0 HB THR A 48 -13.308 4.505 -0.565 1.00 0.00 H new ATOM 0 HG1 THR A 48 -13.913 6.531 0.496 1.00 0.00 H new ATOM 0 HG21 THR A 48 -11.705 5.942 0.657 1.00 0.00 H new ATOM 0 HG22 THR A 48 -10.957 5.121 -0.734 1.00 0.00 H new ATOM 0 HG23 THR A 48 -11.395 6.842 -0.847 1.00 0.00 H new ATOM 88 N THR A 49 -14.869 5.363 -4.148 1.00 0.00 N ATOM 89 CA THR A 49 -16.177 5.025 -4.712 1.00 0.00 C ATOM 90 C THR A 49 -16.165 5.105 -6.240 1.00 0.00 C ATOM 91 O THR A 49 -15.214 5.612 -6.843 1.00 0.00 O ATOM 92 CB THR A 49 -17.258 5.951 -4.145 1.00 0.00 C ATOM 93 OG1 THR A 49 -18.542 5.519 -4.556 1.00 0.00 O ATOM 94 CG2 THR A 49 -17.108 7.395 -4.571 1.00 0.00 C ATOM 0 H THR A 49 -14.278 5.922 -4.763 1.00 0.00 H new ATOM 0 HA THR A 49 -16.404 3.997 -4.430 1.00 0.00 H new ATOM 0 HB THR A 49 -17.140 5.899 -3.063 1.00 0.00 H new ATOM 0 HG1 THR A 49 -19.223 6.118 -4.185 1.00 0.00 H new ATOM 0 HG21 THR A 49 -17.909 7.989 -4.131 1.00 0.00 H new ATOM 0 HG22 THR A 49 -16.145 7.776 -4.232 1.00 0.00 H new ATOM 0 HG23 THR A 49 -17.162 7.461 -5.658 1.00 0.00 H new ATOM 102 N ILE A 50 -17.233 4.601 -6.857 1.00 0.00 N ATOM 103 CA ILE A 50 -17.366 4.606 -8.315 1.00 0.00 C ATOM 104 C ILE A 50 -18.711 5.195 -8.739 1.00 0.00 C ATOM 105 O ILE A 50 -19.722 5.028 -8.049 1.00 0.00 O ATOM 106 CB ILE A 50 -17.234 3.181 -8.901 1.00 0.00 C ATOM 107 CG1 ILE A 50 -16.014 2.461 -8.316 1.00 0.00 C ATOM 108 CG2 ILE A 50 -17.133 3.234 -10.419 1.00 0.00 C ATOM 109 CD1 ILE A 50 -16.270 1.822 -6.968 1.00 0.00 C ATOM 0 H ILE A 50 -18.023 4.182 -6.367 1.00 0.00 H new ATOM 0 HA ILE A 50 -16.558 5.225 -8.705 1.00 0.00 H new ATOM 0 HB ILE A 50 -18.129 2.621 -8.629 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -15.687 1.692 -9.016 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -15.195 3.173 -8.220 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -17.041 2.222 -10.813 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -18.029 3.702 -10.827 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -16.257 3.816 -10.705 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -15.361 1.332 -6.619 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -16.567 2.589 -6.252 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -17.067 1.084 -7.061 1.00 0.00 H new ATOM 121 N GLY A 51 -18.717 5.888 -9.878 1.00 0.00 N ATOM 122 CA GLY A 51 -19.941 6.500 -10.379 1.00 0.00 C ATOM 123 C GLY A 51 -20.432 7.625 -9.484 1.00 0.00 C ATOM 124 O GLY A 51 -19.642 8.453 -9.031 1.00 0.00 O ATOM 0 H GLY A 51 -17.895 6.037 -10.464 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -19.766 6.887 -11.383 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -20.717 5.739 -10.462 1.00 0.00 H new ATOM 128 N ASN A 52 -21.739 7.654 -9.224 1.00 0.00 N ATOM 129 CA ASN A 52 -22.326 8.686 -8.369 1.00 0.00 C ATOM 130 C ASN A 52 -23.539 8.153 -7.602 1.00 0.00 C ATOM 131 O ASN A 52 -24.556 8.836 -7.468 1.00 0.00 O ATOM 132 CB ASN A 52 -22.710 9.914 -9.207 1.00 0.00 C ATOM 133 CG ASN A 52 -22.689 11.202 -8.408 1.00 0.00 C ATOM 134 OD1 ASN A 52 -21.835 12.059 -8.617 1.00 0.00 O ATOM 135 ND2 ASN A 52 -23.630 11.349 -7.488 1.00 0.00 N ATOM 0 H ASN A 52 -22.409 6.978 -9.591 1.00 0.00 H new ATOM 0 HA ASN A 52 -21.577 8.982 -7.634 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -22.023 10.003 -10.048 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -23.707 9.767 -9.623 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -23.663 12.198 -6.923 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -24.322 10.614 -7.344 1.00 0.00 H new ATOM 142 N PHE A 53 -23.407 6.928 -7.097 1.00 0.00 N ATOM 143 CA PHE A 53 -24.482 6.275 -6.329 1.00 0.00 C ATOM 144 C PHE A 53 -24.085 4.872 -5.857 1.00 0.00 C ATOM 145 O PHE A 53 -24.924 3.975 -5.762 1.00 0.00 O ATOM 146 CB PHE A 53 -25.740 6.184 -7.184 1.00 0.00 C ATOM 147 CG PHE A 53 -26.944 6.843 -6.569 1.00 0.00 C ATOM 148 CD1 PHE A 53 -27.698 6.179 -5.616 1.00 0.00 C ATOM 149 CD2 PHE A 53 -27.323 8.120 -6.947 1.00 0.00 C ATOM 150 CE1 PHE A 53 -28.807 6.779 -5.047 1.00 0.00 C ATOM 151 CE2 PHE A 53 -28.431 8.724 -6.383 1.00 0.00 C ATOM 152 CZ PHE A 53 -29.174 8.053 -5.432 1.00 0.00 C ATOM 0 H PHE A 53 -22.566 6.361 -7.203 1.00 0.00 H new ATOM 0 HA PHE A 53 -24.668 6.883 -5.444 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -25.543 6.642 -8.153 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -25.967 5.134 -7.368 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -27.417 5.181 -5.313 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -26.746 8.650 -7.691 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -29.385 6.252 -4.303 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -28.716 9.721 -6.686 1.00 0.00 H new ATOM 0 HZ PHE A 53 -30.040 8.524 -4.990 1.00 0.00 H new ATOM 162 N SER A 54 -22.803 4.705 -5.562 1.00 0.00 N ATOM 163 CA SER A 54 -22.262 3.421 -5.094 1.00 0.00 C ATOM 164 C SER A 54 -22.623 2.279 -6.052 1.00 0.00 C ATOM 165 O SER A 54 -23.444 1.420 -5.729 1.00 0.00 O ATOM 166 CB SER A 54 -22.776 3.109 -3.684 1.00 0.00 C ATOM 167 OG SER A 54 -22.077 3.867 -2.710 1.00 0.00 O ATOM 0 H SER A 54 -22.106 5.446 -5.637 1.00 0.00 H new ATOM 0 HA SER A 54 -21.176 3.507 -5.067 1.00 0.00 H new ATOM 0 HB2 SER A 54 -23.842 3.328 -3.625 1.00 0.00 H new ATOM 0 HB3 SER A 54 -22.657 2.046 -3.477 1.00 0.00 H new ATOM 0 HG SER A 54 -22.423 3.653 -1.819 1.00 0.00 H new ATOM 173 N GLY A 55 -22.004 2.288 -7.236 1.00 0.00 N ATOM 174 CA GLY A 55 -22.272 1.260 -8.240 1.00 0.00 C ATOM 175 C GLY A 55 -21.999 -0.157 -7.756 1.00 0.00 C ATOM 176 O GLY A 55 -22.927 -0.960 -7.642 1.00 0.00 O ATOM 0 H GLY A 55 -21.320 2.990 -7.519 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -23.314 1.333 -8.552 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -21.661 1.457 -9.121 1.00 0.00 H new ATOM 180 N PRO A 56 -20.727 -0.507 -7.486 1.00 0.00 N ATOM 181 CA PRO A 56 -20.359 -1.850 -7.031 1.00 0.00 C ATOM 182 C PRO A 56 -20.530 -2.044 -5.519 1.00 0.00 C ATOM 183 O PRO A 56 -21.042 -1.167 -4.820 1.00 0.00 O ATOM 184 CB PRO A 56 -18.886 -1.937 -7.430 1.00 0.00 C ATOM 185 CG PRO A 56 -18.383 -0.539 -7.301 1.00 0.00 C ATOM 186 CD PRO A 56 -19.546 0.370 -7.616 1.00 0.00 C ATOM 0 HA PRO A 56 -20.992 -2.623 -7.467 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -18.338 -2.618 -6.779 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -18.772 -2.308 -8.449 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -18.008 -0.354 -6.294 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -17.555 -0.360 -7.987 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -19.595 1.211 -6.924 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -19.467 0.787 -8.620 1.00 0.00 H new ATOM 194 N TYR A 57 -20.091 -3.203 -5.022 1.00 0.00 N ATOM 195 CA TYR A 57 -20.189 -3.528 -3.596 1.00 0.00 C ATOM 196 C TYR A 57 -19.173 -2.763 -2.746 1.00 0.00 C ATOM 197 O TYR A 57 -19.167 -2.880 -1.522 1.00 0.00 O ATOM 198 CB TYR A 57 -19.989 -5.027 -3.404 1.00 0.00 C ATOM 199 CG TYR A 57 -21.051 -5.679 -2.550 1.00 0.00 C ATOM 200 CD1 TYR A 57 -21.095 -5.462 -1.179 1.00 0.00 C ATOM 201 CD2 TYR A 57 -22.012 -6.511 -3.112 1.00 0.00 C ATOM 202 CE1 TYR A 57 -22.064 -6.054 -0.392 1.00 0.00 C ATOM 203 CE2 TYR A 57 -22.985 -7.105 -2.332 1.00 0.00 C ATOM 204 CZ TYR A 57 -23.006 -6.874 -0.974 1.00 0.00 C ATOM 205 OH TYR A 57 -23.972 -7.463 -0.195 1.00 0.00 O ATOM 0 H TYR A 57 -19.662 -3.935 -5.588 1.00 0.00 H new ATOM 0 HA TYR A 57 -21.182 -3.227 -3.261 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -19.974 -5.510 -4.381 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -19.014 -5.199 -2.949 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -20.359 -4.819 -0.720 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -21.998 -6.696 -4.176 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -22.083 -5.875 0.673 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -23.726 -7.747 -2.785 1.00 0.00 H new ATOM 0 HH TYR A 57 -24.559 -8.009 -0.759 1.00 0.00 H new ATOM 215 N THR A 58 -18.323 -1.993 -3.415 1.00 0.00 N ATOM 216 CA THR A 58 -17.277 -1.191 -2.771 1.00 0.00 C ATOM 217 C THR A 58 -16.075 -2.056 -2.397 1.00 0.00 C ATOM 218 O THR A 58 -16.222 -3.167 -1.886 1.00 0.00 O ATOM 219 CB THR A 58 -17.825 -0.462 -1.542 1.00 0.00 C ATOM 220 OG1 THR A 58 -18.745 0.541 -1.929 1.00 0.00 O ATOM 221 CG2 THR A 58 -16.761 0.207 -0.700 1.00 0.00 C ATOM 0 H THR A 58 -18.337 -1.904 -4.431 1.00 0.00 H new ATOM 0 HA THR A 58 -16.942 -0.441 -3.488 1.00 0.00 H new ATOM 0 HB THR A 58 -18.299 -1.240 -0.943 1.00 0.00 H new ATOM 0 HG1 THR A 58 -19.087 0.996 -1.132 1.00 0.00 H new ATOM 0 HG21 THR A 58 -17.228 0.702 0.151 1.00 0.00 H new ATOM 0 HG22 THR A 58 -16.056 -0.543 -0.342 1.00 0.00 H new ATOM 0 HG23 THR A 58 -16.231 0.945 -1.302 1.00 0.00 H new ATOM 229 N TYR A 59 -14.883 -1.538 -2.676 1.00 0.00 N ATOM 230 CA TYR A 59 -13.643 -2.260 -2.396 1.00 0.00 C ATOM 231 C TYR A 59 -12.610 -1.346 -1.730 1.00 0.00 C ATOM 232 O TYR A 59 -12.184 -0.357 -2.321 1.00 0.00 O ATOM 233 CB TYR A 59 -13.067 -2.830 -3.703 1.00 0.00 C ATOM 234 CG TYR A 59 -14.116 -3.255 -4.711 1.00 0.00 C ATOM 235 CD1 TYR A 59 -14.603 -2.359 -5.654 1.00 0.00 C ATOM 236 CD2 TYR A 59 -14.619 -4.550 -4.719 1.00 0.00 C ATOM 237 CE1 TYR A 59 -15.561 -2.741 -6.574 1.00 0.00 C ATOM 238 CE2 TYR A 59 -15.576 -4.939 -5.637 1.00 0.00 C ATOM 239 CZ TYR A 59 -16.044 -4.031 -6.562 1.00 0.00 C ATOM 240 OH TYR A 59 -16.998 -4.414 -7.476 1.00 0.00 O ATOM 0 H TYR A 59 -14.748 -0.619 -3.097 1.00 0.00 H new ATOM 0 HA TYR A 59 -13.870 -3.075 -1.709 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -12.423 -2.079 -4.161 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -12.438 -3.688 -3.466 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -14.227 -1.347 -5.669 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -14.256 -5.265 -3.995 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -15.930 -2.031 -7.300 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -15.955 -5.950 -5.630 1.00 0.00 H new ATOM 0 HH TYR A 59 -17.230 -5.355 -7.332 1.00 0.00 H new ATOM 250 N CYS A 60 -12.207 -1.684 -0.503 1.00 0.00 N ATOM 251 CA CYS A 60 -11.216 -0.890 0.241 1.00 0.00 C ATOM 252 C CYS A 60 -11.643 0.580 0.365 1.00 0.00 C ATOM 253 O CYS A 60 -12.754 0.953 -0.018 1.00 0.00 O ATOM 254 CB CYS A 60 -9.840 -0.981 -0.434 1.00 0.00 C ATOM 255 SG CYS A 60 -8.987 -2.563 -0.173 1.00 0.00 S ATOM 0 H CYS A 60 -12.550 -2.502 0.000 1.00 0.00 H new ATOM 0 HA CYS A 60 -11.152 -1.307 1.246 1.00 0.00 H new ATOM 0 HB2 CYS A 60 -9.962 -0.819 -1.505 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -9.210 -0.175 -0.059 1.00 0.00 H new ATOM 260 N ASN A 61 -10.766 1.408 0.925 1.00 0.00 N ATOM 261 CA ASN A 61 -11.058 2.816 1.121 1.00 0.00 C ATOM 262 C ASN A 61 -9.900 3.703 0.669 1.00 0.00 C ATOM 263 O ASN A 61 -9.499 4.626 1.376 1.00 0.00 O ATOM 264 CB ASN A 61 -11.334 3.031 2.586 1.00 0.00 C ATOM 265 CG ASN A 61 -12.740 3.521 2.856 1.00 0.00 C ATOM 266 OD1 ASN A 61 -13.128 4.602 2.421 1.00 0.00 O ATOM 267 ND2 ASN A 61 -13.516 2.724 3.573 1.00 0.00 N ATOM 0 H ASN A 61 -9.843 1.121 1.251 1.00 0.00 H new ATOM 0 HA ASN A 61 -11.923 3.091 0.517 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -11.172 2.096 3.122 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -10.621 3.754 2.982 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -14.475 3.000 3.783 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -13.155 1.834 3.916 1.00 0.00 H new ATOM 274 N THR A 62 -9.390 3.401 -0.518 1.00 0.00 N ATOM 275 CA THR A 62 -8.281 4.126 -1.154 1.00 0.00 C ATOM 276 C THR A 62 -7.572 5.100 -0.210 1.00 0.00 C ATOM 277 O THR A 62 -7.981 6.255 -0.069 1.00 0.00 O ATOM 278 CB THR A 62 -8.797 4.874 -2.380 1.00 0.00 C ATOM 279 OG1 THR A 62 -9.447 3.991 -3.276 1.00 0.00 O ATOM 280 CG2 THR A 62 -7.711 5.581 -3.155 1.00 0.00 C ATOM 0 H THR A 62 -9.739 2.628 -1.084 1.00 0.00 H new ATOM 0 HA THR A 62 -7.540 3.381 -1.444 1.00 0.00 H new ATOM 0 HB THR A 62 -9.487 5.619 -1.985 1.00 0.00 H new ATOM 0 HG1 THR A 62 -10.303 4.378 -3.554 1.00 0.00 H new ATOM 0 HG21 THR A 62 -8.149 6.091 -4.013 1.00 0.00 H new ATOM 0 HG22 THR A 62 -7.220 6.310 -2.511 1.00 0.00 H new ATOM 0 HG23 THR A 62 -6.978 4.852 -3.502 1.00 0.00 H new ATOM 288 N THR A 63 -6.501 4.632 0.429 1.00 0.00 N ATOM 289 CA THR A 63 -5.741 5.471 1.360 1.00 0.00 C ATOM 290 C THR A 63 -4.267 5.589 0.977 1.00 0.00 C ATOM 291 O THR A 63 -3.776 4.910 0.069 1.00 0.00 O ATOM 292 CB THR A 63 -5.850 4.921 2.783 1.00 0.00 C ATOM 293 OG1 THR A 63 -5.347 5.866 3.709 1.00 0.00 O ATOM 294 CG2 THR A 63 -5.086 3.632 2.997 1.00 0.00 C ATOM 0 H THR A 63 -6.140 3.684 0.322 1.00 0.00 H new ATOM 0 HA THR A 63 -6.179 6.468 1.308 1.00 0.00 H new ATOM 0 HB THR A 63 -6.910 4.721 2.936 1.00 0.00 H new ATOM 0 HG1 THR A 63 -5.422 5.506 4.617 1.00 0.00 H new ATOM 0 HG21 THR A 63 -5.210 3.303 4.029 1.00 0.00 H new ATOM 0 HG22 THR A 63 -5.469 2.866 2.323 1.00 0.00 H new ATOM 0 HG23 THR A 63 -4.028 3.798 2.794 1.00 0.00 H new ATOM 302 N LEU A 64 -3.563 6.453 1.705 1.00 0.00 N ATOM 303 CA LEU A 64 -2.140 6.681 1.491 1.00 0.00 C ATOM 304 C LEU A 64 -1.385 6.588 2.816 1.00 0.00 C ATOM 305 O LEU A 64 -1.842 7.097 3.844 1.00 0.00 O ATOM 306 CB LEU A 64 -1.908 8.048 0.841 1.00 0.00 C ATOM 307 CG LEU A 64 -0.443 8.407 0.577 1.00 0.00 C ATOM 308 CD1 LEU A 64 -0.041 8.015 -0.836 1.00 0.00 C ATOM 309 CD2 LEU A 64 -0.210 9.893 0.801 1.00 0.00 C ATOM 0 H LEU A 64 -3.964 7.013 2.458 1.00 0.00 H new ATOM 0 HA LEU A 64 -1.762 5.911 0.818 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -2.449 8.078 -0.105 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -2.343 8.815 1.482 1.00 0.00 H new ATOM 0 HG LEU A 64 0.177 7.849 1.278 1.00 0.00 H new ATOM 0 HD11 LEU A 64 1.003 8.279 -1.004 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -0.169 6.940 -0.966 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -0.668 8.545 -1.553 1.00 0.00 H new ATOM 0 HD21 LEU A 64 0.836 10.130 0.609 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -0.842 10.467 0.123 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -0.457 10.149 1.831 1.00 0.00 H new ATOM 321 N ASP A 65 -0.235 5.929 2.784 1.00 0.00 N ATOM 322 CA ASP A 65 0.588 5.752 3.977 1.00 0.00 C ATOM 323 C ASP A 65 2.003 6.297 3.759 1.00 0.00 C ATOM 324 O ASP A 65 2.305 6.847 2.697 1.00 0.00 O ATOM 325 CB ASP A 65 0.648 4.265 4.336 1.00 0.00 C ATOM 326 CG ASP A 65 0.635 4.029 5.827 1.00 0.00 C ATOM 327 OD1 ASP A 65 1.589 4.458 6.501 1.00 0.00 O ATOM 328 OD2 ASP A 65 -0.326 3.394 6.317 1.00 0.00 O ATOM 0 H ASP A 65 0.153 5.505 1.941 1.00 0.00 H new ATOM 0 HA ASP A 65 0.137 6.311 4.797 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -0.199 3.751 3.883 1.00 0.00 H new ATOM 0 HB3 ASP A 65 1.551 3.828 3.910 1.00 0.00 H new ATOM 333 N GLN A 66 2.869 6.119 4.761 1.00 0.00 N ATOM 334 CA GLN A 66 4.262 6.571 4.669 1.00 0.00 C ATOM 335 C GLN A 66 4.880 6.083 3.360 1.00 0.00 C ATOM 336 O GLN A 66 5.473 6.855 2.605 1.00 0.00 O ATOM 337 CB GLN A 66 5.077 6.056 5.862 1.00 0.00 C ATOM 338 CG GLN A 66 4.547 6.520 7.214 1.00 0.00 C ATOM 339 CD GLN A 66 4.878 5.554 8.336 1.00 0.00 C ATOM 340 OE1 GLN A 66 4.037 4.767 8.762 1.00 0.00 O ATOM 341 NE2 GLN A 66 6.110 5.606 8.821 1.00 0.00 N ATOM 0 H GLN A 66 2.632 5.666 5.644 1.00 0.00 H new ATOM 0 HA GLN A 66 4.277 7.661 4.688 1.00 0.00 H new ATOM 0 HB2 GLN A 66 5.087 4.966 5.840 1.00 0.00 H new ATOM 0 HB3 GLN A 66 6.110 6.386 5.754 1.00 0.00 H new ATOM 0 HG2 GLN A 66 4.966 7.499 7.447 1.00 0.00 H new ATOM 0 HG3 GLN A 66 3.466 6.643 7.153 1.00 0.00 H new ATOM 0 HE21 GLN A 66 6.780 6.274 8.440 1.00 0.00 H new ATOM 0 HE22 GLN A 66 6.388 4.978 9.575 1.00 0.00 H new ATOM 350 N ILE A 67 4.697 4.794 3.084 1.00 0.00 N ATOM 351 CA ILE A 67 5.190 4.185 1.853 1.00 0.00 C ATOM 352 C ILE A 67 4.291 4.589 0.682 1.00 0.00 C ATOM 353 O ILE A 67 3.149 4.126 0.576 1.00 0.00 O ATOM 354 CB ILE A 67 5.245 2.642 1.953 1.00 0.00 C ATOM 355 CG1 ILE A 67 4.001 2.102 2.666 1.00 0.00 C ATOM 356 CG2 ILE A 67 6.507 2.199 2.681 1.00 0.00 C ATOM 357 CD1 ILE A 67 3.590 0.724 2.208 1.00 0.00 C ATOM 0 H ILE A 67 4.207 4.147 3.702 1.00 0.00 H new ATOM 0 HA ILE A 67 6.206 4.546 1.690 1.00 0.00 H new ATOM 0 HB ILE A 67 5.267 2.235 0.942 1.00 0.00 H new ATOM 0 HG12 ILE A 67 4.190 2.077 3.739 1.00 0.00 H new ATOM 0 HG13 ILE A 67 3.172 2.791 2.504 1.00 0.00 H new ATOM 0 HG21 ILE A 67 6.529 1.111 2.742 1.00 0.00 H new ATOM 0 HG22 ILE A 67 7.383 2.550 2.136 1.00 0.00 H new ATOM 0 HG23 ILE A 67 6.513 2.619 3.687 1.00 0.00 H new ATOM 0 HD11 ILE A 67 2.703 0.408 2.757 1.00 0.00 H new ATOM 0 HD12 ILE A 67 3.368 0.746 1.141 1.00 0.00 H new ATOM 0 HD13 ILE A 67 4.402 0.021 2.395 1.00 0.00 H new ATOM 369 N GLY A 68 4.802 5.474 -0.177 1.00 0.00 N ATOM 370 CA GLY A 68 4.029 5.959 -1.319 1.00 0.00 C ATOM 371 C GLY A 68 3.684 4.889 -2.344 1.00 0.00 C ATOM 372 O GLY A 68 4.005 5.030 -3.521 1.00 0.00 O ATOM 0 H GLY A 68 5.741 5.866 -0.103 1.00 0.00 H new ATOM 0 HA2 GLY A 68 3.105 6.406 -0.953 1.00 0.00 H new ATOM 0 HA3 GLY A 68 4.592 6.751 -1.813 1.00 0.00 H new ATOM 376 N THR A 69 3.006 3.832 -1.904 1.00 0.00 N ATOM 377 CA THR A 69 2.594 2.749 -2.804 1.00 0.00 C ATOM 378 C THR A 69 1.144 2.925 -3.252 1.00 0.00 C ATOM 379 O THR A 69 0.699 2.275 -4.202 1.00 0.00 O ATOM 380 CB THR A 69 2.776 1.370 -2.147 1.00 0.00 C ATOM 381 OG1 THR A 69 1.931 0.401 -2.751 1.00 0.00 O ATOM 382 CG2 THR A 69 2.475 1.350 -0.667 1.00 0.00 C ATOM 0 H THR A 69 2.729 3.699 -0.931 1.00 0.00 H new ATOM 0 HA THR A 69 3.239 2.800 -3.681 1.00 0.00 H new ATOM 0 HB THR A 69 3.831 1.138 -2.294 1.00 0.00 H new ATOM 0 HG1 THR A 69 1.314 0.041 -2.080 1.00 0.00 H new ATOM 0 HG21 THR A 69 2.627 0.343 -0.278 1.00 0.00 H new ATOM 0 HG22 THR A 69 3.140 2.042 -0.151 1.00 0.00 H new ATOM 0 HG23 THR A 69 1.440 1.650 -0.502 1.00 0.00 H new ATOM 390 N CYS A 70 0.424 3.808 -2.564 1.00 0.00 N ATOM 391 CA CYS A 70 -0.979 4.092 -2.869 1.00 0.00 C ATOM 392 C CYS A 70 -1.856 2.857 -2.664 1.00 0.00 C ATOM 393 O CYS A 70 -1.724 1.863 -3.380 1.00 0.00 O ATOM 394 CB CYS A 70 -1.128 4.604 -4.302 1.00 0.00 C ATOM 395 SG CYS A 70 -2.724 5.415 -4.632 1.00 0.00 S ATOM 0 H CYS A 70 0.794 4.346 -1.781 1.00 0.00 H new ATOM 0 HA CYS A 70 -1.313 4.867 -2.179 1.00 0.00 H new ATOM 0 HB2 CYS A 70 -0.323 5.309 -4.511 1.00 0.00 H new ATOM 0 HB3 CYS A 70 -1.007 3.768 -4.991 1.00 0.00 H new ATOM 400 N TRP A 71 -2.756 2.924 -1.684 1.00 0.00 N ATOM 401 CA TRP A 71 -3.652 1.806 -1.391 1.00 0.00 C ATOM 402 C TRP A 71 -5.092 2.135 -1.791 1.00 0.00 C ATOM 403 O TRP A 71 -5.897 2.533 -0.949 1.00 0.00 O ATOM 404 CB TRP A 71 -3.590 1.460 0.100 1.00 0.00 C ATOM 405 CG TRP A 71 -2.212 1.135 0.589 1.00 0.00 C ATOM 406 CD1 TRP A 71 -1.498 1.813 1.535 1.00 0.00 C ATOM 407 CD2 TRP A 71 -1.384 0.050 0.157 1.00 0.00 C ATOM 408 NE1 TRP A 71 -0.276 1.213 1.719 1.00 0.00 N ATOM 409 CE2 TRP A 71 -0.184 0.130 0.883 1.00 0.00 C ATOM 410 CE3 TRP A 71 -1.540 -0.984 -0.772 1.00 0.00 C ATOM 411 CZ2 TRP A 71 0.850 -0.782 0.711 1.00 0.00 C ATOM 412 CZ3 TRP A 71 -0.511 -1.889 -0.942 1.00 0.00 C ATOM 413 CH2 TRP A 71 0.671 -1.783 -0.202 1.00 0.00 C ATOM 0 H TRP A 71 -2.884 3.737 -1.082 1.00 0.00 H new ATOM 0 HA TRP A 71 -3.324 0.946 -1.975 1.00 0.00 H new ATOM 0 HB2 TRP A 71 -3.981 2.300 0.675 1.00 0.00 H new ATOM 0 HB3 TRP A 71 -4.244 0.610 0.294 1.00 0.00 H new ATOM 0 HD1 TRP A 71 -1.843 2.691 2.061 1.00 0.00 H new ATOM 0 HE1 TRP A 71 0.445 1.522 2.371 1.00 0.00 H new ATOM 0 HE3 TRP A 71 -2.450 -1.073 -1.347 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 1.765 -0.702 1.280 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 -0.621 -2.691 -1.657 1.00 0.00 H new ATOM 0 HH2 TRP A 71 1.458 -2.507 -0.355 1.00 0.00 H new ATOM 424 N PRO A 72 -5.433 1.980 -3.089 1.00 0.00 N ATOM 425 CA PRO A 72 -6.778 2.266 -3.601 1.00 0.00 C ATOM 426 C PRO A 72 -7.768 1.122 -3.371 1.00 0.00 C ATOM 427 O PRO A 72 -7.525 0.229 -2.558 1.00 0.00 O ATOM 428 CB PRO A 72 -6.525 2.472 -5.090 1.00 0.00 C ATOM 429 CG PRO A 72 -5.380 1.572 -5.402 1.00 0.00 C ATOM 430 CD PRO A 72 -4.526 1.518 -4.160 1.00 0.00 C ATOM 0 HA PRO A 72 -7.237 3.117 -3.098 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -7.404 2.215 -5.681 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -6.284 3.512 -5.312 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -5.732 0.577 -5.674 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -4.809 1.951 -6.249 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -4.162 0.509 -3.968 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -3.650 2.161 -4.248 1.00 0.00 H new ATOM 438 N GLN A 73 -8.891 1.160 -4.090 1.00 0.00 N ATOM 439 CA GLN A 73 -9.918 0.129 -3.967 1.00 0.00 C ATOM 440 C GLN A 73 -9.335 -1.267 -4.236 1.00 0.00 C ATOM 441 O GLN A 73 -8.463 -1.430 -5.090 1.00 0.00 O ATOM 442 CB GLN A 73 -11.084 0.430 -4.915 1.00 0.00 C ATOM 443 CG GLN A 73 -10.848 0.000 -6.353 1.00 0.00 C ATOM 444 CD GLN A 73 -10.830 1.170 -7.322 1.00 0.00 C ATOM 445 OE1 GLN A 73 -11.863 1.555 -7.863 1.00 0.00 O ATOM 446 NE2 GLN A 73 -9.655 1.740 -7.544 1.00 0.00 N ATOM 0 H GLN A 73 -9.111 1.894 -4.763 1.00 0.00 H new ATOM 0 HA GLN A 73 -10.293 0.136 -2.944 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -11.979 -0.068 -4.541 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -11.285 1.501 -4.897 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -9.900 -0.533 -6.417 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -11.628 -0.700 -6.651 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -8.821 1.389 -7.074 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -9.584 2.530 -8.185 1.00 0.00 H new ATOM 455 N SER A 74 -9.817 -2.266 -3.496 1.00 0.00 N ATOM 456 CA SER A 74 -9.337 -3.641 -3.651 1.00 0.00 C ATOM 457 C SER A 74 -10.438 -4.650 -3.326 1.00 0.00 C ATOM 458 O SER A 74 -10.991 -5.277 -4.228 1.00 0.00 O ATOM 459 CB SER A 74 -8.114 -3.888 -2.757 1.00 0.00 C ATOM 460 OG SER A 74 -7.182 -4.746 -3.389 1.00 0.00 O ATOM 0 H SER A 74 -10.538 -2.150 -2.784 1.00 0.00 H new ATOM 0 HA SER A 74 -9.046 -3.777 -4.693 1.00 0.00 H new ATOM 0 HB2 SER A 74 -7.635 -2.938 -2.521 1.00 0.00 H new ATOM 0 HB3 SER A 74 -8.434 -4.327 -1.812 1.00 0.00 H new ATOM 0 HG SER A 74 -6.412 -4.885 -2.798 1.00 0.00 H new ATOM 466 N ALA A 75 -10.756 -4.793 -2.035 1.00 0.00 N ATOM 467 CA ALA A 75 -11.794 -5.721 -1.583 1.00 0.00 C ATOM 468 C ALA A 75 -11.830 -5.807 -0.053 1.00 0.00 C ATOM 469 O ALA A 75 -10.785 -5.771 0.604 1.00 0.00 O ATOM 470 CB ALA A 75 -11.567 -7.106 -2.177 1.00 0.00 C ATOM 0 H ALA A 75 -10.305 -4.274 -1.282 1.00 0.00 H new ATOM 0 HA ALA A 75 -12.755 -5.340 -1.928 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -12.348 -7.783 -1.830 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -11.597 -7.045 -3.265 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -10.594 -7.482 -1.861 1.00 0.00 H new ATOM 476 N PRO A 76 -13.036 -5.929 0.536 1.00 0.00 N ATOM 477 CA PRO A 76 -13.194 -6.036 1.992 1.00 0.00 C ATOM 478 C PRO A 76 -12.657 -7.370 2.513 1.00 0.00 C ATOM 479 O PRO A 76 -13.353 -8.388 2.485 1.00 0.00 O ATOM 480 CB PRO A 76 -14.709 -5.934 2.193 1.00 0.00 C ATOM 481 CG PRO A 76 -15.293 -6.416 0.911 1.00 0.00 C ATOM 482 CD PRO A 76 -14.335 -5.990 -0.166 1.00 0.00 C ATOM 0 HA PRO A 76 -12.640 -5.270 2.535 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -15.039 -6.545 3.033 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -15.012 -4.909 2.406 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -15.414 -7.499 0.920 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -16.281 -5.987 0.746 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -14.313 -6.703 -0.990 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -14.609 -5.023 -0.588 1.00 0.00 H new ATOM 490 N GLY A 77 -11.406 -7.358 2.966 1.00 0.00 N ATOM 491 CA GLY A 77 -10.773 -8.570 3.466 1.00 0.00 C ATOM 492 C GLY A 77 -9.842 -9.176 2.437 1.00 0.00 C ATOM 493 O GLY A 77 -10.038 -10.308 2.004 1.00 0.00 O ATOM 0 H GLY A 77 -10.816 -6.527 2.996 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -10.214 -8.342 4.374 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -11.539 -9.296 3.737 1.00 0.00 H new ATOM 497 N ALA A 78 -8.827 -8.410 2.034 1.00 0.00 N ATOM 498 CA ALA A 78 -7.867 -8.862 1.037 1.00 0.00 C ATOM 499 C ALA A 78 -6.469 -8.320 1.322 1.00 0.00 C ATOM 500 O ALA A 78 -6.300 -7.161 1.708 1.00 0.00 O ATOM 501 CB ALA A 78 -8.324 -8.439 -0.356 1.00 0.00 C ATOM 0 H ALA A 78 -8.652 -7.469 2.388 1.00 0.00 H new ATOM 0 HA ALA A 78 -7.818 -9.950 1.085 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -7.600 -8.781 -1.096 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -9.297 -8.881 -0.569 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -8.401 -7.353 -0.399 1.00 0.00 H new ATOM 507 N LEU A 79 -5.474 -9.171 1.120 1.00 0.00 N ATOM 508 CA LEU A 79 -4.073 -8.809 1.336 1.00 0.00 C ATOM 509 C LEU A 79 -3.431 -8.318 0.034 1.00 0.00 C ATOM 510 O LEU A 79 -3.673 -8.879 -1.037 1.00 0.00 O ATOM 511 CB LEU A 79 -3.300 -10.018 1.883 1.00 0.00 C ATOM 512 CG LEU A 79 -1.802 -9.795 2.134 1.00 0.00 C ATOM 513 CD1 LEU A 79 -1.273 -10.818 3.125 1.00 0.00 C ATOM 514 CD2 LEU A 79 -1.017 -9.874 0.833 1.00 0.00 C ATOM 0 H LEU A 79 -5.610 -10.131 0.802 1.00 0.00 H new ATOM 0 HA LEU A 79 -4.033 -7.998 2.064 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -3.764 -10.329 2.819 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -3.413 -10.845 1.182 1.00 0.00 H new ATOM 0 HG LEU A 79 -1.674 -8.797 2.554 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -0.210 -10.646 3.292 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -1.809 -10.721 4.069 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -1.420 -11.821 2.726 1.00 0.00 H new ATOM 0 HD21 LEU A 79 0.042 -9.713 1.036 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -1.155 -10.858 0.384 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -1.375 -9.108 0.145 1.00 0.00 H new ATOM 526 N VAL A 80 -2.603 -7.279 0.134 1.00 0.00 N ATOM 527 CA VAL A 80 -1.914 -6.724 -1.032 1.00 0.00 C ATOM 528 C VAL A 80 -0.400 -6.761 -0.836 1.00 0.00 C ATOM 529 O VAL A 80 0.127 -6.291 0.178 1.00 0.00 O ATOM 530 CB VAL A 80 -2.366 -5.280 -1.338 1.00 0.00 C ATOM 531 CG1 VAL A 80 -1.696 -4.762 -2.604 1.00 0.00 C ATOM 532 CG2 VAL A 80 -3.881 -5.214 -1.473 1.00 0.00 C ATOM 0 H VAL A 80 -2.392 -6.803 1.011 1.00 0.00 H new ATOM 0 HA VAL A 80 -2.181 -7.348 -1.885 1.00 0.00 H new ATOM 0 HB VAL A 80 -2.064 -4.644 -0.506 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -2.029 -3.743 -2.801 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -0.614 -4.771 -2.473 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -1.965 -5.400 -3.445 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -4.183 -4.189 -1.689 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -4.203 -5.866 -2.286 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -4.344 -5.540 -0.542 1.00 0.00 H new ATOM 542 N GLU A 81 0.289 -7.343 -1.809 1.00 0.00 N ATOM 543 CA GLU A 81 1.741 -7.478 -1.763 1.00 0.00 C ATOM 544 C GLU A 81 2.443 -6.348 -2.519 1.00 0.00 C ATOM 545 O GLU A 81 2.014 -5.942 -3.603 1.00 0.00 O ATOM 546 CB GLU A 81 2.143 -8.842 -2.338 1.00 0.00 C ATOM 547 CG GLU A 81 3.638 -8.999 -2.581 1.00 0.00 C ATOM 548 CD GLU A 81 4.167 -10.348 -2.135 1.00 0.00 C ATOM 549 OE1 GLU A 81 3.655 -11.379 -2.615 1.00 0.00 O ATOM 550 OE2 GLU A 81 5.097 -10.371 -1.302 1.00 0.00 O ATOM 0 H GLU A 81 -0.139 -7.733 -2.649 1.00 0.00 H new ATOM 0 HA GLU A 81 2.058 -7.411 -0.722 1.00 0.00 H new ATOM 0 HB2 GLU A 81 1.813 -9.624 -1.654 1.00 0.00 H new ATOM 0 HB3 GLU A 81 1.615 -8.998 -3.279 1.00 0.00 H new ATOM 0 HG2 GLU A 81 3.845 -8.866 -3.643 1.00 0.00 H new ATOM 0 HG3 GLU A 81 4.172 -8.211 -2.051 1.00 0.00 H new ATOM 557 N ARG A 82 3.529 -5.850 -1.932 1.00 0.00 N ATOM 558 CA ARG A 82 4.320 -4.773 -2.525 1.00 0.00 C ATOM 559 C ARG A 82 5.807 -4.960 -2.210 1.00 0.00 C ATOM 560 O ARG A 82 6.163 -5.697 -1.285 1.00 0.00 O ATOM 561 CB ARG A 82 3.842 -3.413 -2.003 1.00 0.00 C ATOM 562 CG ARG A 82 2.529 -2.945 -2.613 1.00 0.00 C ATOM 563 CD ARG A 82 2.687 -2.571 -4.079 1.00 0.00 C ATOM 564 NE ARG A 82 2.050 -1.282 -4.377 1.00 0.00 N ATOM 565 CZ ARG A 82 1.415 -0.991 -5.504 1.00 0.00 C ATOM 566 NH1 ARG A 82 1.367 -1.860 -6.495 1.00 0.00 N ATOM 567 NH2 ARG A 82 0.830 0.188 -5.643 1.00 0.00 N ATOM 0 H ARG A 82 3.885 -6.180 -1.035 1.00 0.00 H new ATOM 0 HA ARG A 82 4.186 -4.805 -3.606 1.00 0.00 H new ATOM 0 HB2 ARG A 82 3.728 -3.470 -0.920 1.00 0.00 H new ATOM 0 HB3 ARG A 82 4.611 -2.667 -2.204 1.00 0.00 H new ATOM 0 HG2 ARG A 82 1.783 -3.734 -2.518 1.00 0.00 H new ATOM 0 HG3 ARG A 82 2.156 -2.085 -2.057 1.00 0.00 H new ATOM 0 HD2 ARG A 82 3.746 -2.521 -4.331 1.00 0.00 H new ATOM 0 HD3 ARG A 82 2.247 -3.349 -4.703 1.00 0.00 H new ATOM 0 HE ARG A 82 2.100 -0.555 -3.663 1.00 0.00 H new ATOM 0 HH11 ARG A 82 1.822 -2.768 -6.399 1.00 0.00 H new ATOM 0 HH12 ARG A 82 0.875 -1.624 -7.357 1.00 0.00 H new ATOM 0 HH21 ARG A 82 0.869 0.869 -4.885 1.00 0.00 H new ATOM 0 HH22 ARG A 82 0.341 0.416 -6.508 1.00 0.00 H new ATOM 581 N PRO A 83 6.702 -4.294 -2.972 1.00 0.00 N ATOM 582 CA PRO A 83 8.151 -4.398 -2.755 1.00 0.00 C ATOM 583 C PRO A 83 8.555 -3.898 -1.362 1.00 0.00 C ATOM 584 O PRO A 83 8.557 -4.671 -0.411 1.00 0.00 O ATOM 585 CB PRO A 83 8.752 -3.532 -3.874 1.00 0.00 C ATOM 586 CG PRO A 83 7.647 -2.621 -4.296 1.00 0.00 C ATOM 587 CD PRO A 83 6.374 -3.392 -4.092 1.00 0.00 C ATOM 0 HA PRO A 83 8.507 -5.428 -2.790 1.00 0.00 H new ATOM 0 HB2 PRO A 83 9.613 -2.968 -3.516 1.00 0.00 H new ATOM 0 HB3 PRO A 83 9.096 -4.146 -4.706 1.00 0.00 H new ATOM 0 HG2 PRO A 83 7.648 -1.706 -3.704 1.00 0.00 H new ATOM 0 HG3 PRO A 83 7.762 -2.326 -5.339 1.00 0.00 H new ATOM 0 HD2 PRO A 83 5.540 -2.734 -3.848 1.00 0.00 H new ATOM 0 HD3 PRO A 83 6.092 -3.947 -4.987 1.00 0.00 H new ATOM 595 N CYS A 84 8.879 -2.607 -1.236 1.00 0.00 N ATOM 596 CA CYS A 84 9.265 -2.019 0.051 1.00 0.00 C ATOM 597 C CYS A 84 9.810 -0.606 -0.139 1.00 0.00 C ATOM 598 O CYS A 84 10.120 -0.198 -1.261 1.00 0.00 O ATOM 599 CB CYS A 84 10.306 -2.889 0.773 1.00 0.00 C ATOM 600 SG CYS A 84 9.616 -3.881 2.141 1.00 0.00 S ATOM 0 H CYS A 84 8.881 -1.947 -2.013 1.00 0.00 H new ATOM 0 HA CYS A 84 8.369 -1.971 0.669 1.00 0.00 H new ATOM 0 HB2 CYS A 84 10.771 -3.559 0.049 1.00 0.00 H new ATOM 0 HB3 CYS A 84 11.094 -2.246 1.164 1.00 0.00 H new ATOM 605 N PRO A 85 9.923 0.163 0.957 1.00 0.00 N ATOM 606 CA PRO A 85 10.431 1.535 0.901 1.00 0.00 C ATOM 607 C PRO A 85 11.945 1.585 0.675 1.00 0.00 C ATOM 608 O PRO A 85 12.686 0.738 1.178 1.00 0.00 O ATOM 609 CB PRO A 85 10.056 2.106 2.269 1.00 0.00 C ATOM 610 CG PRO A 85 9.985 0.927 3.178 1.00 0.00 C ATOM 611 CD PRO A 85 9.565 -0.244 2.332 1.00 0.00 C ATOM 0 HA PRO A 85 10.011 2.098 0.068 1.00 0.00 H new ATOM 0 HB2 PRO A 85 10.800 2.824 2.613 1.00 0.00 H new ATOM 0 HB3 PRO A 85 9.101 2.630 2.229 1.00 0.00 H new ATOM 0 HG2 PRO A 85 10.952 0.740 3.646 1.00 0.00 H new ATOM 0 HG3 PRO A 85 9.270 1.100 3.982 1.00 0.00 H new ATOM 0 HD2 PRO A 85 10.084 -1.156 2.626 1.00 0.00 H new ATOM 0 HD3 PRO A 85 8.497 -0.441 2.425 1.00 0.00 H new ATOM 619 N GLU A 86 12.395 2.582 -0.091 1.00 0.00 N ATOM 620 CA GLU A 86 13.818 2.748 -0.388 1.00 0.00 C ATOM 621 C GLU A 86 14.261 4.196 -0.158 1.00 0.00 C ATOM 622 O GLU A 86 13.549 5.139 -0.508 1.00 0.00 O ATOM 623 CB GLU A 86 14.121 2.329 -1.829 1.00 0.00 C ATOM 624 CG GLU A 86 15.596 2.435 -2.201 1.00 0.00 C ATOM 625 CD GLU A 86 15.936 1.695 -3.481 1.00 0.00 C ATOM 626 OE1 GLU A 86 16.021 0.451 -3.449 1.00 0.00 O ATOM 627 OE2 GLU A 86 16.121 2.366 -4.517 1.00 0.00 O ATOM 0 H GLU A 86 11.793 3.287 -0.517 1.00 0.00 H new ATOM 0 HA GLU A 86 14.378 2.104 0.290 1.00 0.00 H new ATOM 0 HB2 GLU A 86 13.791 1.300 -1.976 1.00 0.00 H new ATOM 0 HB3 GLU A 86 13.538 2.951 -2.509 1.00 0.00 H new ATOM 0 HG2 GLU A 86 15.863 3.486 -2.313 1.00 0.00 H new ATOM 0 HG3 GLU A 86 16.201 2.038 -1.386 1.00 0.00 H new ATOM 634 N TYR A 87 15.444 4.353 0.432 1.00 0.00 N ATOM 635 CA TYR A 87 16.011 5.674 0.725 1.00 0.00 C ATOM 636 C TYR A 87 15.096 6.500 1.646 1.00 0.00 C ATOM 637 O TYR A 87 14.976 7.716 1.483 1.00 0.00 O ATOM 638 CB TYR A 87 16.286 6.431 -0.580 1.00 0.00 C ATOM 639 CG TYR A 87 17.679 7.017 -0.663 1.00 0.00 C ATOM 640 CD1 TYR A 87 18.194 7.792 0.372 1.00 0.00 C ATOM 641 CD2 TYR A 87 18.481 6.798 -1.775 1.00 0.00 C ATOM 642 CE1 TYR A 87 19.467 8.329 0.297 1.00 0.00 C ATOM 643 CE2 TYR A 87 19.754 7.333 -1.856 1.00 0.00 C ATOM 644 CZ TYR A 87 20.241 8.095 -0.818 1.00 0.00 C ATOM 645 OH TYR A 87 21.506 8.627 -0.895 1.00 0.00 O ATOM 0 H TYR A 87 16.037 3.574 0.720 1.00 0.00 H new ATOM 0 HA TYR A 87 16.951 5.522 1.255 1.00 0.00 H new ATOM 0 HB2 TYR A 87 16.136 5.754 -1.421 1.00 0.00 H new ATOM 0 HB3 TYR A 87 15.557 7.235 -0.684 1.00 0.00 H new ATOM 0 HD1 TYR A 87 17.590 7.977 1.248 1.00 0.00 H new ATOM 0 HD2 TYR A 87 18.104 6.199 -2.591 1.00 0.00 H new ATOM 0 HE1 TYR A 87 19.852 8.929 1.109 1.00 0.00 H new ATOM 0 HE2 TYR A 87 20.363 7.154 -2.730 1.00 0.00 H new ATOM 0 HH TYR A 87 21.919 8.367 -1.745 1.00 0.00 H new ATOM 655 N PHE A 88 14.470 5.838 2.619 1.00 0.00 N ATOM 656 CA PHE A 88 13.583 6.517 3.564 1.00 0.00 C ATOM 657 C PHE A 88 14.240 6.621 4.942 1.00 0.00 C ATOM 658 O PHE A 88 15.314 6.062 5.172 1.00 0.00 O ATOM 659 CB PHE A 88 12.244 5.777 3.675 1.00 0.00 C ATOM 660 CG PHE A 88 11.304 6.059 2.537 1.00 0.00 C ATOM 661 CD1 PHE A 88 10.461 7.158 2.570 1.00 0.00 C ATOM 662 CD2 PHE A 88 11.264 5.222 1.437 1.00 0.00 C ATOM 663 CE1 PHE A 88 9.597 7.416 1.525 1.00 0.00 C ATOM 664 CE2 PHE A 88 10.400 5.474 0.387 1.00 0.00 C ATOM 665 CZ PHE A 88 9.566 6.573 0.432 1.00 0.00 C ATOM 0 H PHE A 88 14.560 4.834 2.774 1.00 0.00 H new ATOM 0 HA PHE A 88 13.397 7.523 3.189 1.00 0.00 H new ATOM 0 HB2 PHE A 88 12.434 4.705 3.721 1.00 0.00 H new ATOM 0 HB3 PHE A 88 11.761 6.056 4.612 1.00 0.00 H new ATOM 0 HD1 PHE A 88 10.480 7.820 3.423 1.00 0.00 H new ATOM 0 HD2 PHE A 88 11.915 4.361 1.397 1.00 0.00 H new ATOM 0 HE1 PHE A 88 8.946 8.277 1.562 1.00 0.00 H new ATOM 0 HE2 PHE A 88 10.378 4.812 -0.466 1.00 0.00 H new ATOM 0 HZ PHE A 88 8.890 6.773 -0.386 1.00 0.00 H new ATOM 675 N ASN A 89 13.590 7.350 5.854 1.00 0.00 N ATOM 676 CA ASN A 89 14.108 7.538 7.196 1.00 0.00 C ATOM 677 C ASN A 89 15.453 8.261 7.156 1.00 0.00 C ATOM 678 O ASN A 89 15.884 8.750 6.109 1.00 0.00 O ATOM 679 CB ASN A 89 14.236 6.183 7.912 1.00 0.00 C ATOM 680 CG ASN A 89 12.903 5.480 8.080 1.00 0.00 C ATOM 681 OD1 ASN A 89 12.723 4.354 7.620 1.00 0.00 O ATOM 682 ND2 ASN A 89 11.959 6.136 8.741 1.00 0.00 N ATOM 0 H ASN A 89 12.701 7.818 5.678 1.00 0.00 H new ATOM 0 HA ASN A 89 13.408 8.158 7.756 1.00 0.00 H new ATOM 0 HB2 ASN A 89 14.912 5.541 7.347 1.00 0.00 H new ATOM 0 HB3 ASN A 89 14.687 6.336 8.892 1.00 0.00 H new ATOM 0 HD21 ASN A 89 11.044 5.708 8.883 1.00 0.00 H new ATOM 0 HD22 ASN A 89 12.148 7.069 9.107 1.00 0.00 H new ATOM 689 N GLY A 90 16.104 8.332 8.302 1.00 0.00 N ATOM 690 CA GLY A 90 17.395 9.001 8.390 1.00 0.00 C ATOM 691 C GLY A 90 18.576 8.053 8.253 1.00 0.00 C ATOM 692 O GLY A 90 19.597 8.239 8.916 1.00 0.00 O ATOM 0 H GLY A 90 15.766 7.939 9.180 1.00 0.00 H new ATOM 0 HA2 GLY A 90 17.456 9.761 7.611 1.00 0.00 H new ATOM 0 HA3 GLY A 90 17.463 9.519 9.347 1.00 0.00 H new ATOM 696 N ILE A 91 18.446 7.037 7.396 1.00 0.00 N ATOM 697 CA ILE A 91 19.517 6.068 7.186 1.00 0.00 C ATOM 698 C ILE A 91 19.641 5.690 5.706 1.00 0.00 C ATOM 699 O ILE A 91 18.744 5.971 4.911 1.00 0.00 O ATOM 700 CB ILE A 91 19.305 4.793 8.041 1.00 0.00 C ATOM 701 CG1 ILE A 91 18.391 3.785 7.337 1.00 0.00 C ATOM 702 CG2 ILE A 91 18.744 5.142 9.414 1.00 0.00 C ATOM 703 CD1 ILE A 91 16.991 4.297 7.091 1.00 0.00 C ATOM 0 H ILE A 91 17.609 6.867 6.838 1.00 0.00 H new ATOM 0 HA ILE A 91 20.445 6.544 7.503 1.00 0.00 H new ATOM 0 HB ILE A 91 20.282 4.328 8.171 1.00 0.00 H new ATOM 0 HG12 ILE A 91 18.839 3.508 6.383 1.00 0.00 H new ATOM 0 HG13 ILE A 91 18.335 2.878 7.939 1.00 0.00 H new ATOM 0 HG21 ILE A 91 18.605 4.229 9.993 1.00 0.00 H new ATOM 0 HG22 ILE A 91 19.440 5.800 9.935 1.00 0.00 H new ATOM 0 HG23 ILE A 91 17.785 5.647 9.298 1.00 0.00 H new ATOM 0 HD11 ILE A 91 16.405 3.527 6.589 1.00 0.00 H new ATOM 0 HD12 ILE A 91 16.523 4.547 8.043 1.00 0.00 H new ATOM 0 HD13 ILE A 91 17.034 5.187 6.463 1.00 0.00 H new ATOM 715 N LYS A 92 20.753 5.056 5.339 1.00 0.00 N ATOM 716 CA LYS A 92 20.970 4.652 3.949 1.00 0.00 C ATOM 717 C LYS A 92 21.467 3.204 3.841 1.00 0.00 C ATOM 718 O LYS A 92 22.550 2.937 3.314 1.00 0.00 O ATOM 719 CB LYS A 92 21.948 5.611 3.262 1.00 0.00 C ATOM 720 CG LYS A 92 21.570 5.931 1.822 1.00 0.00 C ATOM 721 CD LYS A 92 22.008 4.826 0.870 1.00 0.00 C ATOM 722 CE LYS A 92 20.827 4.232 0.118 1.00 0.00 C ATOM 723 NZ LYS A 92 21.222 3.025 -0.667 1.00 0.00 N ATOM 0 H LYS A 92 21.511 4.812 5.976 1.00 0.00 H new ATOM 0 HA LYS A 92 20.008 4.701 3.439 1.00 0.00 H new ATOM 0 HB2 LYS A 92 21.996 6.539 3.832 1.00 0.00 H new ATOM 0 HB3 LYS A 92 22.946 5.174 3.279 1.00 0.00 H new ATOM 0 HG2 LYS A 92 20.491 6.068 1.750 1.00 0.00 H new ATOM 0 HG3 LYS A 92 22.031 6.873 1.525 1.00 0.00 H new ATOM 0 HD2 LYS A 92 22.730 5.224 0.157 1.00 0.00 H new ATOM 0 HD3 LYS A 92 22.514 4.041 1.432 1.00 0.00 H new ATOM 0 HE2 LYS A 92 20.042 3.965 0.826 1.00 0.00 H new ATOM 0 HE3 LYS A 92 20.409 4.982 -0.554 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 20.391 2.648 -1.166 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 21.953 3.285 -1.359 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 21.598 2.300 -0.023 1.00 0.00 H new ATOM 737 N TYR A 93 20.649 2.275 4.325 1.00 0.00 N ATOM 738 CA TYR A 93 20.971 0.848 4.269 1.00 0.00 C ATOM 739 C TYR A 93 19.690 0.031 4.117 1.00 0.00 C ATOM 740 O TYR A 93 18.633 0.439 4.595 1.00 0.00 O ATOM 741 CB TYR A 93 21.752 0.380 5.513 1.00 0.00 C ATOM 742 CG TYR A 93 21.954 1.433 6.584 1.00 0.00 C ATOM 743 CD1 TYR A 93 22.940 2.404 6.453 1.00 0.00 C ATOM 744 CD2 TYR A 93 21.166 1.448 7.726 1.00 0.00 C ATOM 745 CE1 TYR A 93 23.132 3.360 7.432 1.00 0.00 C ATOM 746 CE2 TYR A 93 21.353 2.401 8.708 1.00 0.00 C ATOM 747 CZ TYR A 93 22.336 3.353 8.556 1.00 0.00 C ATOM 748 OH TYR A 93 22.520 4.305 9.530 1.00 0.00 O ATOM 0 H TYR A 93 19.752 2.484 4.764 1.00 0.00 H new ATOM 0 HA TYR A 93 21.613 0.690 3.402 1.00 0.00 H new ATOM 0 HB2 TYR A 93 21.227 -0.467 5.954 1.00 0.00 H new ATOM 0 HB3 TYR A 93 22.729 0.018 5.193 1.00 0.00 H new ATOM 0 HD1 TYR A 93 23.566 2.411 5.573 1.00 0.00 H new ATOM 0 HD2 TYR A 93 20.394 0.703 7.849 1.00 0.00 H new ATOM 0 HE1 TYR A 93 23.902 4.109 7.316 1.00 0.00 H new ATOM 0 HE2 TYR A 93 20.731 2.399 9.591 1.00 0.00 H new ATOM 0 HH TYR A 93 21.877 4.160 10.255 1.00 0.00 H new ATOM 758 N ASN A 94 19.796 -1.118 3.441 1.00 0.00 N ATOM 759 CA ASN A 94 18.652 -2.006 3.207 1.00 0.00 C ATOM 760 C ASN A 94 17.739 -1.458 2.102 1.00 0.00 C ATOM 761 O ASN A 94 17.519 -0.252 2.004 1.00 0.00 O ATOM 762 CB ASN A 94 17.846 -2.226 4.499 1.00 0.00 C ATOM 763 CG ASN A 94 18.207 -3.519 5.200 1.00 0.00 C ATOM 764 OD1 ASN A 94 19.147 -4.212 4.815 1.00 0.00 O ATOM 765 ND2 ASN A 94 17.462 -3.855 6.240 1.00 0.00 N ATOM 0 H ASN A 94 20.672 -1.457 3.043 1.00 0.00 H new ATOM 0 HA ASN A 94 19.049 -2.967 2.880 1.00 0.00 H new ATOM 0 HB2 ASN A 94 18.018 -1.390 5.177 1.00 0.00 H new ATOM 0 HB3 ASN A 94 16.782 -2.231 4.262 1.00 0.00 H new ATOM 0 HD21 ASN A 94 17.659 -4.715 6.752 1.00 0.00 H new ATOM 0 HD22 ASN A 94 16.690 -3.254 6.530 1.00 0.00 H new ATOM 772 N THR A 95 17.217 -2.362 1.272 1.00 0.00 N ATOM 773 CA THR A 95 16.325 -1.984 0.165 1.00 0.00 C ATOM 774 C THR A 95 15.476 -3.169 -0.292 1.00 0.00 C ATOM 775 O THR A 95 14.248 -3.092 -0.321 1.00 0.00 O ATOM 776 CB THR A 95 17.125 -1.448 -1.031 1.00 0.00 C ATOM 777 OG1 THR A 95 18.151 -2.355 -1.393 1.00 0.00 O ATOM 778 CG2 THR A 95 17.773 -0.106 -0.780 1.00 0.00 C ATOM 0 H THR A 95 17.394 -3.364 1.342 1.00 0.00 H new ATOM 0 HA THR A 95 15.668 -1.199 0.539 1.00 0.00 H new ATOM 0 HB THR A 95 16.393 -1.331 -1.830 1.00 0.00 H new ATOM 0 HG1 THR A 95 18.649 -1.998 -2.158 1.00 0.00 H new ATOM 0 HG21 THR A 95 18.320 0.206 -1.670 1.00 0.00 H new ATOM 0 HG22 THR A 95 17.004 0.632 -0.549 1.00 0.00 H new ATOM 0 HG23 THR A 95 18.463 -0.187 0.060 1.00 0.00 H new ATOM 786 N THR A 96 16.142 -4.261 -0.655 1.00 0.00 N ATOM 787 CA THR A 96 15.459 -5.470 -1.124 1.00 0.00 C ATOM 788 C THR A 96 14.687 -6.157 0.007 1.00 0.00 C ATOM 789 O THR A 96 15.237 -6.996 0.736 1.00 0.00 O ATOM 790 CB THR A 96 16.467 -6.451 -1.734 1.00 0.00 C ATOM 791 OG1 THR A 96 17.473 -6.784 -0.795 1.00 0.00 O ATOM 792 CG2 THR A 96 17.158 -5.916 -2.967 1.00 0.00 C ATOM 0 H THR A 96 17.159 -4.337 -0.634 1.00 0.00 H new ATOM 0 HA THR A 96 14.743 -5.166 -1.887 1.00 0.00 H new ATOM 0 HB THR A 96 15.879 -7.325 -2.016 1.00 0.00 H new ATOM 0 HG1 THR A 96 17.069 -6.897 0.091 1.00 0.00 H new ATOM 0 HG21 THR A 96 17.857 -6.662 -3.345 1.00 0.00 H new ATOM 0 HG22 THR A 96 16.415 -5.694 -3.733 1.00 0.00 H new ATOM 0 HG23 THR A 96 17.701 -5.006 -2.713 1.00 0.00 H new ATOM 800 N ARG A 97 13.412 -5.793 0.145 1.00 0.00 N ATOM 801 CA ARG A 97 12.540 -6.362 1.177 1.00 0.00 C ATOM 802 C ARG A 97 11.112 -6.544 0.640 1.00 0.00 C ATOM 803 O ARG A 97 10.828 -6.196 -0.510 1.00 0.00 O ATOM 804 CB ARG A 97 12.522 -5.456 2.417 1.00 0.00 C ATOM 805 CG ARG A 97 13.900 -5.122 2.970 1.00 0.00 C ATOM 806 CD ARG A 97 14.407 -6.198 3.920 1.00 0.00 C ATOM 807 NE ARG A 97 15.344 -7.114 3.260 1.00 0.00 N ATOM 808 CZ ARG A 97 16.255 -7.843 3.897 1.00 0.00 C ATOM 809 NH1 ARG A 97 16.378 -7.780 5.212 1.00 0.00 N ATOM 810 NH2 ARG A 97 17.053 -8.636 3.210 1.00 0.00 N ATOM 0 H ARG A 97 12.956 -5.101 -0.449 1.00 0.00 H new ATOM 0 HA ARG A 97 12.934 -7.339 1.457 1.00 0.00 H new ATOM 0 HB2 ARG A 97 12.009 -4.527 2.166 1.00 0.00 H new ATOM 0 HB3 ARG A 97 11.938 -5.942 3.199 1.00 0.00 H new ATOM 0 HG2 ARG A 97 14.603 -5.005 2.146 1.00 0.00 H new ATOM 0 HG3 ARG A 97 13.860 -4.166 3.493 1.00 0.00 H new ATOM 0 HD2 ARG A 97 14.898 -5.728 4.772 1.00 0.00 H new ATOM 0 HD3 ARG A 97 13.562 -6.764 4.312 1.00 0.00 H new ATOM 0 HE ARG A 97 15.293 -7.197 2.245 1.00 0.00 H new ATOM 0 HH11 ARG A 97 15.769 -7.166 5.752 1.00 0.00 H new ATOM 0 HH12 ARG A 97 17.082 -8.346 5.686 1.00 0.00 H new ATOM 0 HH21 ARG A 97 16.970 -8.688 2.195 1.00 0.00 H new ATOM 0 HH22 ARG A 97 17.754 -9.198 3.694 1.00 0.00 H new ATOM 824 N ASN A 98 10.219 -7.080 1.472 1.00 0.00 N ATOM 825 CA ASN A 98 8.823 -7.293 1.075 1.00 0.00 C ATOM 826 C ASN A 98 7.883 -6.449 1.936 1.00 0.00 C ATOM 827 O ASN A 98 8.057 -6.364 3.154 1.00 0.00 O ATOM 828 CB ASN A 98 8.435 -8.775 1.180 1.00 0.00 C ATOM 829 CG ASN A 98 9.596 -9.729 0.963 1.00 0.00 C ATOM 830 OD1 ASN A 98 10.515 -9.453 0.197 1.00 0.00 O ATOM 831 ND2 ASN A 98 9.556 -10.862 1.642 1.00 0.00 N ATOM 0 H ASN A 98 10.435 -7.375 2.424 1.00 0.00 H new ATOM 0 HA ASN A 98 8.726 -6.984 0.034 1.00 0.00 H new ATOM 0 HB2 ASN A 98 8.004 -8.959 2.164 1.00 0.00 H new ATOM 0 HB3 ASN A 98 7.658 -8.990 0.447 1.00 0.00 H new ATOM 0 HD21 ASN A 98 10.307 -11.545 1.539 1.00 0.00 H new ATOM 0 HD22 ASN A 98 8.774 -11.054 2.269 1.00 0.00 H new ATOM 838 N ALA A 99 6.896 -5.823 1.301 1.00 0.00 N ATOM 839 CA ALA A 99 5.938 -4.972 2.006 1.00 0.00 C ATOM 840 C ALA A 99 4.499 -5.459 1.802 1.00 0.00 C ATOM 841 O ALA A 99 3.793 -4.985 0.910 1.00 0.00 O ATOM 842 CB ALA A 99 6.095 -3.538 1.525 1.00 0.00 C ATOM 0 H ALA A 99 6.737 -5.889 0.296 1.00 0.00 H new ATOM 0 HA ALA A 99 6.145 -5.022 3.075 1.00 0.00 H new ATOM 0 HB1 ALA A 99 5.383 -2.899 2.047 1.00 0.00 H new ATOM 0 HB2 ALA A 99 7.109 -3.195 1.730 1.00 0.00 H new ATOM 0 HB3 ALA A 99 5.906 -3.491 0.453 1.00 0.00 H new ATOM 848 N TYR A 100 4.064 -6.404 2.639 1.00 0.00 N ATOM 849 CA TYR A 100 2.699 -6.940 2.545 1.00 0.00 C ATOM 850 C TYR A 100 1.715 -6.062 3.318 1.00 0.00 C ATOM 851 O TYR A 100 1.940 -5.745 4.488 1.00 0.00 O ATOM 852 CB TYR A 100 2.609 -8.381 3.079 1.00 0.00 C ATOM 853 CG TYR A 100 3.888 -9.190 2.996 1.00 0.00 C ATOM 854 CD1 TYR A 100 4.461 -9.503 1.770 1.00 0.00 C ATOM 855 CD2 TYR A 100 4.508 -9.658 4.147 1.00 0.00 C ATOM 856 CE1 TYR A 100 5.617 -10.256 1.696 1.00 0.00 C ATOM 857 CE2 TYR A 100 5.664 -10.415 4.078 1.00 0.00 C ATOM 858 CZ TYR A 100 6.212 -10.710 2.852 1.00 0.00 C ATOM 859 OH TYR A 100 7.356 -11.469 2.776 1.00 0.00 O ATOM 0 H TYR A 100 4.629 -6.812 3.384 1.00 0.00 H new ATOM 0 HA TYR A 100 2.437 -6.944 1.487 1.00 0.00 H new ATOM 0 HB2 TYR A 100 2.290 -8.344 4.121 1.00 0.00 H new ATOM 0 HB3 TYR A 100 1.831 -8.907 2.526 1.00 0.00 H new ATOM 0 HD1 TYR A 100 3.996 -9.152 0.861 1.00 0.00 H new ATOM 0 HD2 TYR A 100 4.081 -9.427 5.112 1.00 0.00 H new ATOM 0 HE1 TYR A 100 6.052 -10.488 0.735 1.00 0.00 H new ATOM 0 HE2 TYR A 100 6.134 -10.772 4.983 1.00 0.00 H new ATOM 0 HH TYR A 100 7.650 -11.709 3.680 1.00 0.00 H new ATOM 869 N ARG A 101 0.620 -5.685 2.661 1.00 0.00 N ATOM 870 CA ARG A 101 -0.416 -4.852 3.283 1.00 0.00 C ATOM 871 C ARG A 101 -1.780 -5.543 3.197 1.00 0.00 C ATOM 872 O ARG A 101 -1.978 -6.423 2.360 1.00 0.00 O ATOM 873 CB ARG A 101 -0.455 -3.475 2.618 1.00 0.00 C ATOM 874 CG ARG A 101 0.525 -2.492 3.234 1.00 0.00 C ATOM 875 CD ARG A 101 -0.189 -1.350 3.932 1.00 0.00 C ATOM 876 NE ARG A 101 0.658 -0.724 4.947 1.00 0.00 N ATOM 877 CZ ARG A 101 0.439 0.476 5.467 1.00 0.00 C ATOM 878 NH1 ARG A 101 -0.608 1.181 5.104 1.00 0.00 N ATOM 879 NH2 ARG A 101 1.258 0.962 6.377 1.00 0.00 N ATOM 0 H ARG A 101 0.424 -5.943 1.694 1.00 0.00 H new ATOM 0 HA ARG A 101 -0.174 -4.715 4.337 1.00 0.00 H new ATOM 0 HB2 ARG A 101 -0.233 -3.584 1.556 1.00 0.00 H new ATOM 0 HB3 ARG A 101 -1.464 -3.069 2.693 1.00 0.00 H new ATOM 0 HG2 ARG A 101 1.163 -3.013 3.948 1.00 0.00 H new ATOM 0 HG3 ARG A 101 1.177 -2.093 2.457 1.00 0.00 H new ATOM 0 HD2 ARG A 101 -0.488 -0.603 3.196 1.00 0.00 H new ATOM 0 HD3 ARG A 101 -1.102 -1.722 4.398 1.00 0.00 H new ATOM 0 HE ARG A 101 1.471 -1.245 5.277 1.00 0.00 H new ATOM 0 HH11 ARG A 101 -1.262 0.806 4.416 1.00 0.00 H new ATOM 0 HH12 ARG A 101 -0.768 2.103 5.510 1.00 0.00 H new ATOM 0 HH21 ARG A 101 2.063 0.415 6.683 1.00 0.00 H new ATOM 0 HH22 ARG A 101 1.088 1.885 6.776 1.00 0.00 H new ATOM 893 N GLU A 102 -2.706 -5.181 4.085 1.00 0.00 N ATOM 894 CA GLU A 102 -4.012 -5.820 4.110 1.00 0.00 C ATOM 895 C GLU A 102 -5.181 -4.834 4.100 1.00 0.00 C ATOM 896 O GLU A 102 -5.082 -3.709 4.600 1.00 0.00 O ATOM 897 CB GLU A 102 -4.102 -6.670 5.367 1.00 0.00 C ATOM 898 CG GLU A 102 -3.863 -8.153 5.125 1.00 0.00 C ATOM 899 CD GLU A 102 -2.582 -8.660 5.764 1.00 0.00 C ATOM 900 OE1 GLU A 102 -1.805 -7.841 6.301 1.00 0.00 O ATOM 901 OE2 GLU A 102 -2.343 -9.885 5.729 1.00 0.00 O ATOM 0 H GLU A 102 -2.574 -4.455 4.789 1.00 0.00 H new ATOM 0 HA GLU A 102 -4.096 -6.415 3.200 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -3.373 -6.308 6.092 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -5.088 -6.539 5.813 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -4.707 -8.720 5.517 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -3.825 -8.339 4.052 1.00 0.00 H new ATOM 908 N CYS A 103 -6.308 -5.305 3.568 1.00 0.00 N ATOM 909 CA CYS A 103 -7.543 -4.532 3.525 1.00 0.00 C ATOM 910 C CYS A 103 -8.603 -5.268 4.338 1.00 0.00 C ATOM 911 O CYS A 103 -9.093 -6.319 3.923 1.00 0.00 O ATOM 912 CB CYS A 103 -8.020 -4.314 2.087 1.00 0.00 C ATOM 913 SG CYS A 103 -8.932 -2.758 1.842 1.00 0.00 S ATOM 0 H CYS A 103 -6.388 -6.234 3.155 1.00 0.00 H new ATOM 0 HA CYS A 103 -7.362 -3.546 3.952 1.00 0.00 H new ATOM 0 HB2 CYS A 103 -7.156 -4.326 1.422 1.00 0.00 H new ATOM 0 HB3 CYS A 103 -8.659 -5.148 1.796 1.00 0.00 H new ATOM 918 N LEU A 104 -8.914 -4.723 5.507 1.00 0.00 N ATOM 919 CA LEU A 104 -9.881 -5.316 6.432 1.00 0.00 C ATOM 920 C LEU A 104 -11.213 -5.660 5.772 1.00 0.00 C ATOM 921 O LEU A 104 -11.708 -4.934 4.905 1.00 0.00 O ATOM 922 CB LEU A 104 -10.111 -4.372 7.614 1.00 0.00 C ATOM 923 CG LEU A 104 -9.234 -4.635 8.841 1.00 0.00 C ATOM 924 CD1 LEU A 104 -9.486 -6.029 9.394 1.00 0.00 C ATOM 925 CD2 LEU A 104 -7.765 -4.461 8.494 1.00 0.00 C ATOM 0 H LEU A 104 -8.503 -3.853 5.845 1.00 0.00 H new ATOM 0 HA LEU A 104 -9.453 -6.257 6.777 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -9.941 -3.349 7.279 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -11.157 -4.440 7.914 1.00 0.00 H new ATOM 0 HG LEU A 104 -9.497 -3.908 9.609 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -8.852 -6.195 10.265 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -10.533 -6.122 9.683 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -9.254 -6.771 8.630 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -7.157 -4.652 9.378 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -7.491 -5.164 7.707 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -7.591 -3.442 8.147 1.00 0.00 H new ATOM 937 N GLU A 105 -11.794 -6.768 6.229 1.00 0.00 N ATOM 938 CA GLU A 105 -13.089 -7.246 5.740 1.00 0.00 C ATOM 939 C GLU A 105 -14.162 -6.171 5.887 1.00 0.00 C ATOM 940 O GLU A 105 -15.172 -6.191 5.187 1.00 0.00 O ATOM 941 CB GLU A 105 -13.511 -8.514 6.496 1.00 0.00 C ATOM 942 CG GLU A 105 -12.435 -9.594 6.544 1.00 0.00 C ATOM 943 CD GLU A 105 -11.482 -9.424 7.712 1.00 0.00 C ATOM 944 OE1 GLU A 105 -10.469 -8.706 7.550 1.00 0.00 O ATOM 945 OE2 GLU A 105 -11.754 -9.992 8.786 1.00 0.00 O ATOM 0 H GLU A 105 -11.381 -7.361 6.949 1.00 0.00 H new ATOM 0 HA GLU A 105 -12.981 -7.481 4.681 1.00 0.00 H new ATOM 0 HB2 GLU A 105 -13.785 -8.243 7.516 1.00 0.00 H new ATOM 0 HB3 GLU A 105 -14.404 -8.925 6.025 1.00 0.00 H new ATOM 0 HG2 GLU A 105 -12.911 -10.572 6.609 1.00 0.00 H new ATOM 0 HG3 GLU A 105 -11.868 -9.577 5.613 1.00 0.00 H new ATOM 952 N ASN A 106 -13.932 -5.224 6.797 1.00 0.00 N ATOM 953 CA ASN A 106 -14.878 -4.138 7.025 1.00 0.00 C ATOM 954 C ASN A 106 -14.661 -2.970 6.048 1.00 0.00 C ATOM 955 O ASN A 106 -15.379 -1.968 6.112 1.00 0.00 O ATOM 956 CB ASN A 106 -14.775 -3.644 8.473 1.00 0.00 C ATOM 957 CG ASN A 106 -16.115 -3.638 9.181 1.00 0.00 C ATOM 958 OD1 ASN A 106 -16.230 -4.077 10.321 1.00 0.00 O ATOM 959 ND2 ASN A 106 -17.140 -3.139 8.505 1.00 0.00 N ATOM 0 H ASN A 106 -13.100 -5.189 7.386 1.00 0.00 H new ATOM 0 HA ASN A 106 -15.879 -4.531 6.847 1.00 0.00 H new ATOM 0 HB2 ASN A 106 -14.081 -4.280 9.022 1.00 0.00 H new ATOM 0 HB3 ASN A 106 -14.359 -2.637 8.481 1.00 0.00 H new ATOM 0 HD21 ASN A 106 -18.066 -3.110 8.931 1.00 0.00 H new ATOM 0 HD22 ASN A 106 -17.002 -2.784 7.559 1.00 0.00 H new ATOM 966 N GLY A 107 -13.678 -3.097 5.144 1.00 0.00 N ATOM 967 CA GLY A 107 -13.401 -2.039 4.177 1.00 0.00 C ATOM 968 C GLY A 107 -12.394 -1.020 4.687 1.00 0.00 C ATOM 969 O GLY A 107 -12.495 0.169 4.372 1.00 0.00 O ATOM 0 H GLY A 107 -13.072 -3.913 5.067 1.00 0.00 H new ATOM 0 HA2 GLY A 107 -13.025 -2.485 3.256 1.00 0.00 H new ATOM 0 HA3 GLY A 107 -14.332 -1.529 3.927 1.00 0.00 H new ATOM 973 N THR A 108 -11.427 -1.484 5.476 1.00 0.00 N ATOM 974 CA THR A 108 -10.398 -0.607 6.041 1.00 0.00 C ATOM 975 C THR A 108 -8.995 -1.065 5.637 1.00 0.00 C ATOM 976 O THR A 108 -8.758 -2.249 5.403 1.00 0.00 O ATOM 977 CB THR A 108 -10.517 -0.558 7.569 1.00 0.00 C ATOM 978 OG1 THR A 108 -11.256 -1.665 8.056 1.00 0.00 O ATOM 979 CG2 THR A 108 -11.198 0.696 8.072 1.00 0.00 C ATOM 0 H THR A 108 -11.333 -2.465 5.740 1.00 0.00 H new ATOM 0 HA THR A 108 -10.556 0.394 5.640 1.00 0.00 H new ATOM 0 HB THR A 108 -9.491 -0.576 7.937 1.00 0.00 H new ATOM 0 HG1 THR A 108 -11.317 -1.613 9.033 1.00 0.00 H new ATOM 0 HG21 THR A 108 -11.251 0.670 9.160 1.00 0.00 H new ATOM 0 HG22 THR A 108 -10.628 1.570 7.758 1.00 0.00 H new ATOM 0 HG23 THR A 108 -12.206 0.753 7.661 1.00 0.00 H new ATOM 987 N TRP A 109 -8.069 -0.118 5.547 1.00 0.00 N ATOM 988 CA TRP A 109 -6.692 -0.421 5.157 1.00 0.00 C ATOM 989 C TRP A 109 -5.783 -0.643 6.372 1.00 0.00 C ATOM 990 O TRP A 109 -5.707 0.200 7.269 1.00 0.00 O ATOM 991 CB TRP A 109 -6.139 0.717 4.296 1.00 0.00 C ATOM 992 CG TRP A 109 -6.312 0.494 2.824 1.00 0.00 C ATOM 993 CD1 TRP A 109 -6.982 1.295 1.946 1.00 0.00 C ATOM 994 CD2 TRP A 109 -5.803 -0.602 2.059 1.00 0.00 C ATOM 995 NE1 TRP A 109 -6.910 0.767 0.680 1.00 0.00 N ATOM 996 CE2 TRP A 109 -6.195 -0.397 0.724 1.00 0.00 C ATOM 997 CE3 TRP A 109 -5.050 -1.735 2.372 1.00 0.00 C ATOM 998 CZ2 TRP A 109 -5.857 -1.282 -0.295 1.00 0.00 C ATOM 999 CZ3 TRP A 109 -4.716 -2.613 1.361 1.00 0.00 C ATOM 1000 CH2 TRP A 109 -5.119 -2.382 0.041 1.00 0.00 C ATOM 0 H TRP A 109 -8.244 0.868 5.739 1.00 0.00 H new ATOM 0 HA TRP A 109 -6.707 -1.349 4.586 1.00 0.00 H new ATOM 0 HB2 TRP A 109 -6.635 1.647 4.575 1.00 0.00 H new ATOM 0 HB3 TRP A 109 -5.079 0.844 4.514 1.00 0.00 H new ATOM 0 HD1 TRP A 109 -7.494 2.209 2.208 1.00 0.00 H new ATOM 0 HE1 TRP A 109 -7.323 1.177 -0.157 1.00 0.00 H new ATOM 0 HE3 TRP A 109 -4.734 -1.921 3.388 1.00 0.00 H new ATOM 0 HZ2 TRP A 109 -6.167 -1.106 -1.315 1.00 0.00 H new ATOM 0 HZ3 TRP A 109 -4.134 -3.493 1.592 1.00 0.00 H new ATOM 0 HH2 TRP A 109 -4.841 -3.088 -0.728 1.00 0.00 H new ATOM 1011 N ALA A 110 -5.076 -1.775 6.379 1.00 0.00 N ATOM 1012 CA ALA A 110 -4.154 -2.097 7.467 1.00 0.00 C ATOM 1013 C ALA A 110 -2.797 -1.422 7.246 1.00 0.00 C ATOM 1014 O ALA A 110 -2.438 -1.083 6.116 1.00 0.00 O ATOM 1015 CB ALA A 110 -3.988 -3.608 7.586 1.00 0.00 C ATOM 0 H ALA A 110 -5.125 -2.482 5.645 1.00 0.00 H new ATOM 0 HA ALA A 110 -4.573 -1.717 8.399 1.00 0.00 H new ATOM 0 HB1 ALA A 110 -3.299 -3.835 8.400 1.00 0.00 H new ATOM 0 HB2 ALA A 110 -4.956 -4.065 7.792 1.00 0.00 H new ATOM 0 HB3 ALA A 110 -3.590 -4.005 6.652 1.00 0.00 H new ATOM 1021 N SER A 111 -2.043 -1.237 8.325 1.00 0.00 N ATOM 1022 CA SER A 111 -0.723 -0.610 8.238 1.00 0.00 C ATOM 1023 C SER A 111 0.394 -1.637 8.450 1.00 0.00 C ATOM 1024 O SER A 111 1.347 -1.397 9.194 1.00 0.00 O ATOM 1025 CB SER A 111 -0.599 0.534 9.250 1.00 0.00 C ATOM 1026 OG SER A 111 0.203 1.585 8.728 1.00 0.00 O ATOM 0 H SER A 111 -2.320 -1.510 9.268 1.00 0.00 H new ATOM 0 HA SER A 111 -0.616 -0.198 7.234 1.00 0.00 H new ATOM 0 HB2 SER A 111 -1.590 0.915 9.498 1.00 0.00 H new ATOM 0 HB3 SER A 111 -0.160 0.161 10.175 1.00 0.00 H new ATOM 0 HG SER A 111 0.268 2.306 9.389 1.00 0.00 H new ATOM 1032 N ARG A 112 0.265 -2.788 7.783 1.00 0.00 N ATOM 1033 CA ARG A 112 1.257 -3.863 7.892 1.00 0.00 C ATOM 1034 C ARG A 112 2.562 -3.507 7.172 1.00 0.00 C ATOM 1035 O ARG A 112 3.562 -3.195 7.815 1.00 0.00 O ATOM 1036 CB ARG A 112 0.683 -5.178 7.334 1.00 0.00 C ATOM 1037 CG ARG A 112 0.344 -6.207 8.405 1.00 0.00 C ATOM 1038 CD ARG A 112 1.111 -7.507 8.208 1.00 0.00 C ATOM 1039 NE ARG A 112 0.306 -8.521 7.519 1.00 0.00 N ATOM 1040 CZ ARG A 112 0.614 -9.813 7.448 1.00 0.00 C ATOM 1041 NH1 ARG A 112 1.708 -10.275 8.023 1.00 0.00 N ATOM 1042 NH2 ARG A 112 -0.175 -10.644 6.800 1.00 0.00 N ATOM 0 H ARG A 112 -0.516 -3.000 7.162 1.00 0.00 H new ATOM 0 HA ARG A 112 1.487 -3.992 8.949 1.00 0.00 H new ATOM 0 HB2 ARG A 112 -0.217 -4.956 6.760 1.00 0.00 H new ATOM 0 HB3 ARG A 112 1.404 -5.613 6.641 1.00 0.00 H new ATOM 0 HG2 ARG A 112 0.573 -5.796 9.388 1.00 0.00 H new ATOM 0 HG3 ARG A 112 -0.727 -6.411 8.386 1.00 0.00 H new ATOM 0 HD2 ARG A 112 2.016 -7.310 7.633 1.00 0.00 H new ATOM 0 HD3 ARG A 112 1.427 -7.892 9.178 1.00 0.00 H new ATOM 0 HE ARG A 112 -0.552 -8.213 7.061 1.00 0.00 H new ATOM 0 HH11 ARG A 112 2.326 -9.640 8.528 1.00 0.00 H new ATOM 0 HH12 ARG A 112 1.936 -11.267 7.963 1.00 0.00 H new ATOM 0 HH21 ARG A 112 -1.023 -10.297 6.352 1.00 0.00 H new ATOM 0 HH22 ARG A 112 0.062 -11.635 6.746 1.00 0.00 H new ATOM 1056 N VAL A 113 2.540 -3.596 5.838 1.00 0.00 N ATOM 1057 CA VAL A 113 3.713 -3.319 4.981 1.00 0.00 C ATOM 1058 C VAL A 113 4.938 -4.127 5.391 1.00 0.00 C ATOM 1059 O VAL A 113 6.070 -3.805 5.026 1.00 0.00 O ATOM 1060 CB VAL A 113 4.054 -1.820 4.962 1.00 0.00 C ATOM 1061 CG1 VAL A 113 4.746 -1.372 6.238 1.00 0.00 C ATOM 1062 CG2 VAL A 113 4.900 -1.468 3.753 1.00 0.00 C ATOM 0 H VAL A 113 1.707 -3.863 5.313 1.00 0.00 H new ATOM 0 HA VAL A 113 3.433 -3.629 3.974 1.00 0.00 H new ATOM 0 HB VAL A 113 3.107 -1.284 4.896 1.00 0.00 H new ATOM 0 HG11 VAL A 113 4.967 -0.306 6.177 1.00 0.00 H new ATOM 0 HG12 VAL A 113 4.094 -1.559 7.091 1.00 0.00 H new ATOM 0 HG13 VAL A 113 5.675 -1.928 6.363 1.00 0.00 H new ATOM 0 HG21 VAL A 113 5.126 -0.402 3.765 1.00 0.00 H new ATOM 0 HG22 VAL A 113 5.830 -2.037 3.781 1.00 0.00 H new ATOM 0 HG23 VAL A 113 4.353 -1.712 2.842 1.00 0.00 H new ATOM 1072 N ASN A 114 4.689 -5.186 6.139 1.00 0.00 N ATOM 1073 CA ASN A 114 5.746 -6.074 6.619 1.00 0.00 C ATOM 1074 C ASN A 114 6.935 -5.270 7.175 1.00 0.00 C ATOM 1075 O ASN A 114 8.076 -5.728 7.145 1.00 0.00 O ATOM 1076 CB ASN A 114 6.181 -6.986 5.466 1.00 0.00 C ATOM 1077 CG ASN A 114 7.261 -7.979 5.847 1.00 0.00 C ATOM 1078 OD1 ASN A 114 7.127 -8.715 6.821 1.00 0.00 O ATOM 1079 ND2 ASN A 114 8.338 -8.005 5.072 1.00 0.00 N ATOM 0 H ASN A 114 3.752 -5.459 6.434 1.00 0.00 H new ATOM 0 HA ASN A 114 5.366 -6.684 7.439 1.00 0.00 H new ATOM 0 HB2 ASN A 114 5.312 -7.532 5.099 1.00 0.00 H new ATOM 0 HB3 ASN A 114 6.541 -6.369 4.643 1.00 0.00 H new ATOM 0 HD21 ASN A 114 9.097 -8.655 5.276 1.00 0.00 H new ATOM 0 HD22 ASN A 114 8.407 -7.375 4.273 1.00 0.00 H new ATOM 1086 N TYR A 115 6.655 -4.064 7.684 1.00 0.00 N ATOM 1087 CA TYR A 115 7.695 -3.192 8.238 1.00 0.00 C ATOM 1088 C TYR A 115 8.612 -3.950 9.202 1.00 0.00 C ATOM 1089 O TYR A 115 9.834 -3.809 9.144 1.00 0.00 O ATOM 1090 CB TYR A 115 7.051 -1.999 8.953 1.00 0.00 C ATOM 1091 CG TYR A 115 7.084 -0.694 8.176 1.00 0.00 C ATOM 1092 CD1 TYR A 115 8.043 -0.448 7.196 1.00 0.00 C ATOM 1093 CD2 TYR A 115 6.142 0.297 8.428 1.00 0.00 C ATOM 1094 CE1 TYR A 115 8.058 0.744 6.497 1.00 0.00 C ATOM 1095 CE2 TYR A 115 6.154 1.489 7.731 1.00 0.00 C ATOM 1096 CZ TYR A 115 7.114 1.707 6.768 1.00 0.00 C ATOM 1097 OH TYR A 115 7.126 2.893 6.071 1.00 0.00 O ATOM 0 H TYR A 115 5.715 -3.670 7.723 1.00 0.00 H new ATOM 0 HA TYR A 115 8.307 -2.833 7.410 1.00 0.00 H new ATOM 0 HB2 TYR A 115 6.013 -2.245 9.177 1.00 0.00 H new ATOM 0 HB3 TYR A 115 7.556 -1.850 9.907 1.00 0.00 H new ATOM 0 HD1 TYR A 115 8.786 -1.201 6.979 1.00 0.00 H new ATOM 0 HD2 TYR A 115 5.387 0.132 9.183 1.00 0.00 H new ATOM 0 HE1 TYR A 115 8.809 0.919 5.740 1.00 0.00 H new ATOM 0 HE2 TYR A 115 5.414 2.247 7.940 1.00 0.00 H new ATOM 0 HH TYR A 115 7.864 2.886 5.426 1.00 0.00 H new ATOM 1107 N SER A 116 8.012 -4.755 10.079 1.00 0.00 N ATOM 1108 CA SER A 116 8.766 -5.545 11.059 1.00 0.00 C ATOM 1109 C SER A 116 9.867 -6.377 10.396 1.00 0.00 C ATOM 1110 O SER A 116 10.980 -6.463 10.914 1.00 0.00 O ATOM 1111 CB SER A 116 7.822 -6.464 11.845 1.00 0.00 C ATOM 1112 OG SER A 116 6.474 -6.304 11.423 1.00 0.00 O ATOM 0 H SER A 116 7.001 -4.879 10.133 1.00 0.00 H new ATOM 0 HA SER A 116 9.243 -4.843 11.743 1.00 0.00 H new ATOM 0 HB2 SER A 116 8.126 -7.502 11.711 1.00 0.00 H new ATOM 0 HB3 SER A 116 7.900 -6.244 12.910 1.00 0.00 H new ATOM 0 HG SER A 116 5.896 -6.903 11.940 1.00 0.00 H new ATOM 1118 N HIS A 117 9.554 -6.987 9.251 1.00 0.00 N ATOM 1119 CA HIS A 117 10.526 -7.810 8.525 1.00 0.00 C ATOM 1120 C HIS A 117 11.215 -7.022 7.403 1.00 0.00 C ATOM 1121 O HIS A 117 12.336 -7.358 7.012 1.00 0.00 O ATOM 1122 CB HIS A 117 9.840 -9.053 7.952 1.00 0.00 C ATOM 1123 CG HIS A 117 10.787 -10.140 7.547 1.00 0.00 C ATOM 1124 ND1 HIS A 117 12.084 -9.905 7.144 1.00 0.00 N ATOM 1125 CD2 HIS A 117 10.615 -11.481 7.483 1.00 0.00 C ATOM 1126 CE1 HIS A 117 12.670 -11.052 6.850 1.00 0.00 C ATOM 1127 NE2 HIS A 117 11.798 -12.025 7.047 1.00 0.00 N ATOM 0 H HIS A 117 8.638 -6.928 8.807 1.00 0.00 H new ATOM 0 HA HIS A 117 11.295 -8.116 9.234 1.00 0.00 H new ATOM 0 HB2 HIS A 117 9.147 -9.448 8.695 1.00 0.00 H new ATOM 0 HB3 HIS A 117 9.247 -8.761 7.086 1.00 0.00 H new ATOM 0 HD1 HIS A 117 12.524 -8.987 7.082 1.00 0.00 H new ATOM 0 HD2 HIS A 117 9.714 -12.023 7.729 1.00 0.00 H new ATOM 0 HE1 HIS A 117 13.687 -11.173 6.507 1.00 0.00 H new ATOM 1136 N CYS A 118 10.547 -5.987 6.889 1.00 0.00 N ATOM 1137 CA CYS A 118 11.110 -5.157 5.818 1.00 0.00 C ATOM 1138 C CYS A 118 12.173 -4.205 6.367 1.00 0.00 C ATOM 1139 O CYS A 118 13.109 -3.842 5.653 1.00 0.00 O ATOM 1140 CB CYS A 118 10.005 -4.354 5.117 1.00 0.00 C ATOM 1141 SG CYS A 118 10.607 -3.248 3.796 1.00 0.00 S ATOM 0 H CYS A 118 9.617 -5.703 7.196 1.00 0.00 H new ATOM 0 HA CYS A 118 11.578 -5.822 5.093 1.00 0.00 H new ATOM 0 HB2 CYS A 118 9.281 -5.049 4.692 1.00 0.00 H new ATOM 0 HB3 CYS A 118 9.476 -3.758 5.861 1.00 0.00 H new ATOM 1146 N GLU A 119 12.026 -3.812 7.642 1.00 0.00 N ATOM 1147 CA GLU A 119 12.962 -2.916 8.304 1.00 0.00 C ATOM 1148 C GLU A 119 12.842 -1.478 7.776 1.00 0.00 C ATOM 1149 O GLU A 119 12.296 -1.248 6.694 1.00 0.00 O ATOM 1150 CB GLU A 119 14.383 -3.448 8.135 1.00 0.00 C ATOM 1151 CG GLU A 119 14.574 -4.861 8.678 1.00 0.00 C ATOM 1152 CD GLU A 119 15.584 -5.670 7.888 1.00 0.00 C ATOM 1153 OE1 GLU A 119 15.197 -6.279 6.870 1.00 0.00 O ATOM 1154 OE2 GLU A 119 16.765 -5.700 8.288 1.00 0.00 O ATOM 0 H GLU A 119 11.252 -4.111 8.235 1.00 0.00 H new ATOM 0 HA GLU A 119 12.718 -2.883 9.366 1.00 0.00 H new ATOM 0 HB2 GLU A 119 14.643 -3.436 7.077 1.00 0.00 H new ATOM 0 HB3 GLU A 119 15.076 -2.776 8.641 1.00 0.00 H new ATOM 0 HG2 GLU A 119 14.896 -4.804 9.718 1.00 0.00 H new ATOM 0 HG3 GLU A 119 13.615 -5.380 8.670 1.00 0.00 H new ATOM 1161 N PRO A 120 13.344 -0.482 8.545 1.00 0.00 N ATOM 1162 CA PRO A 120 13.285 0.937 8.150 1.00 0.00 C ATOM 1163 C PRO A 120 14.063 1.213 6.861 1.00 0.00 C ATOM 1164 O PRO A 120 14.754 0.327 6.359 1.00 0.00 O ATOM 1165 CB PRO A 120 13.926 1.674 9.332 1.00 0.00 C ATOM 1166 CG PRO A 120 14.729 0.640 10.045 1.00 0.00 C ATOM 1167 CD PRO A 120 13.995 -0.657 9.856 1.00 0.00 C ATOM 0 HA PRO A 120 12.264 1.256 7.942 1.00 0.00 H new ATOM 0 HB2 PRO A 120 14.556 2.495 8.990 1.00 0.00 H new ATOM 0 HB3 PRO A 120 13.168 2.105 9.986 1.00 0.00 H new ATOM 0 HG2 PRO A 120 15.738 0.580 9.638 1.00 0.00 H new ATOM 0 HG3 PRO A 120 14.826 0.883 11.103 1.00 0.00 H new ATOM 0 HD2 PRO A 120 14.674 -1.509 9.859 1.00 0.00 H new ATOM 0 HD3 PRO A 120 13.267 -0.828 10.649 1.00 0.00 H new ATOM 1175 N ILE A 121 13.930 2.444 6.342 1.00 0.00 N ATOM 1176 CA ILE A 121 14.594 2.879 5.103 1.00 0.00 C ATOM 1177 C ILE A 121 13.646 2.781 3.898 1.00 0.00 C ATOM 1178 O ILE A 121 12.510 2.290 4.074 1.00 0.00 O ATOM 1179 CB ILE A 121 15.904 2.091 4.824 1.00 0.00 C ATOM 1180 CG1 ILE A 121 16.986 3.035 4.284 1.00 0.00 C ATOM 1181 CG2 ILE A 121 15.657 0.926 3.867 1.00 0.00 C ATOM 1182 CD1 ILE A 121 17.143 2.996 2.784 1.00 0.00 C ATOM 0 H ILE A 121 13.356 3.169 6.772 1.00 0.00 H new ATOM 0 HA ILE A 121 14.866 3.924 5.250 1.00 0.00 H new ATOM 0 HB ILE A 121 16.256 1.667 5.764 1.00 0.00 H new ATOM 0 HG12 ILE A 121 16.748 4.055 4.588 1.00 0.00 H new ATOM 0 HG13 ILE A 121 17.940 2.779 4.745 1.00 0.00 H new ATOM 0 HG21 ILE A 121 16.592 0.395 3.692 1.00 0.00 H new ATOM 0 HG22 ILE A 121 14.928 0.244 4.305 1.00 0.00 H new ATOM 0 HG23 ILE A 121 15.274 1.308 2.921 1.00 0.00 H new ATOM 0 HD11 ILE A 121 17.927 3.691 2.482 1.00 0.00 H new ATOM 0 HD12 ILE A 121 17.413 1.987 2.473 1.00 0.00 H new ATOM 0 HD13 ILE A 121 16.203 3.282 2.312 1.00 0.00 H new TER 1194 ILE A 121