USER MOD reduce.3.24.130724 H: found=0, std=0, add=627, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 626 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 69 ASN :FLIP amide:sc= -5.82! C(o=-6.9!,f=-5.8!) USER MOD Set 1.2: A 70 LYS NZ :NH3+ 153:sc= 0 (180deg=0) USER MOD Set 2.1: A 4 SER OG : rot -100:sc= 0.0744 USER MOD Set 2.2: A 7 THR OG1 : rot 107:sc= 1.4 USER MOD Single : A 1 THR N :NH3+ -131:sc= 0.469 (180deg=-0.0905) USER MOD Single : A 1 THR OG1 : rot 180:sc= 0.226 USER MOD Single : A 2 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 6 HIS : no HD1:sc=-0.00733 K(o=-0.0073,f=-0.79) USER MOD Single : A 11 THR OG1 : rot -149:sc= 1.6 USER MOD Single : A 12 ASN : amide:sc= -0.0928 K(o=-0.093,f=-2.7!) USER MOD Single : A 16 ASN : amide:sc= -1.17! C(o=-1.2!,f=-2!) USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 THR OG1 : rot 103:sc= -4.2! USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ -159:sc= 0 (180deg=-0.0696) USER MOD Single : A 41 LYS NZ :NH3+ -135:sc= -0.0494 (180deg=-0.459) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 47 ASN : amide:sc=-0.00326 X(o=-0.0033,f=0) USER MOD Single : A 49 THR OG1 : rot -170:sc= -2.05! USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 ASN : amide:sc= 0 X(o=0,f=-0.0072) USER MOD Single : A 54 ASN : amide:sc= -11.8! C(o=-12!,f=-15!) USER MOD Single : A 64 LYS NZ :NH3+ -143:sc= -2.02! (180deg=-4.57!) USER MOD Single : A 65 MET CE :methyl -137:sc= -5.8! (180deg=-7.91!) USER MOD Single : A 66 THR OG1 : rot 139:sc= -3.84! USER MOD Single : A 68 SER OG : rot -48:sc= 0.642 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 THR OG1 : rot -65:sc= 1.08 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 SER OG : rot -103:sc= 0.119 USER MOD Single : A 90 SER OG : rot 43:sc= 1.02 USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 1 -11.173 -4.004 -11.625 1.00 0.00 N ATOM 2 CA THR A 1 -12.568 -3.544 -11.876 1.00 0.00 C ATOM 3 C THR A 1 -13.528 -4.738 -11.865 1.00 0.00 C ATOM 4 O THR A 1 -14.667 -4.626 -11.457 1.00 0.00 O ATOM 5 CB THR A 1 -12.533 -2.900 -13.264 1.00 0.00 C ATOM 6 OG1 THR A 1 -11.182 -2.669 -13.643 1.00 0.00 O ATOM 7 CG2 THR A 1 -13.288 -1.571 -13.231 1.00 0.00 C ATOM 0 H1 THR A 1 -10.742 -3.416 -10.884 1.00 0.00 H new ATOM 0 H2 THR A 1 -11.185 -4.997 -11.316 1.00 0.00 H new ATOM 0 H3 THR A 1 -10.617 -3.921 -12.500 1.00 0.00 H new ATOM 0 HA THR A 1 -12.915 -2.848 -11.113 1.00 0.00 H new ATOM 0 HB THR A 1 -13.006 -3.566 -13.986 1.00 0.00 H new ATOM 0 HG1 THR A 1 -11.157 -2.258 -14.532 1.00 0.00 H new ATOM 0 HG21 THR A 1 -13.262 -1.113 -14.220 1.00 0.00 H new ATOM 0 HG22 THR A 1 -14.323 -1.748 -12.940 1.00 0.00 H new ATOM 0 HG23 THR A 1 -12.817 -0.903 -12.510 1.00 0.00 H new ATOM 17 N MET A 2 -13.077 -5.878 -12.309 1.00 0.00 N ATOM 18 CA MET A 2 -13.965 -7.077 -12.324 1.00 0.00 C ATOM 19 C MET A 2 -13.195 -8.312 -11.849 1.00 0.00 C ATOM 20 O MET A 2 -12.016 -8.456 -12.101 1.00 0.00 O ATOM 21 CB MET A 2 -14.390 -7.238 -13.783 1.00 0.00 C ATOM 22 CG MET A 2 -13.152 -7.475 -14.651 1.00 0.00 C ATOM 23 SD MET A 2 -13.170 -6.331 -16.053 1.00 0.00 S ATOM 24 CE MET A 2 -11.539 -6.756 -16.712 1.00 0.00 C ATOM 0 H MET A 2 -12.133 -6.033 -12.662 1.00 0.00 H new ATOM 0 HA MET A 2 -14.822 -6.964 -11.661 1.00 0.00 H new ATOM 0 HB2 MET A 2 -15.082 -8.074 -13.881 1.00 0.00 H new ATOM 0 HB3 MET A 2 -14.918 -6.346 -14.120 1.00 0.00 H new ATOM 0 HG2 MET A 2 -12.247 -7.329 -14.061 1.00 0.00 H new ATOM 0 HG3 MET A 2 -13.137 -8.505 -15.008 1.00 0.00 H new ATOM 0 HE1 MET A 2 -11.338 -6.156 -17.600 1.00 0.00 H new ATOM 0 HE2 MET A 2 -10.778 -6.555 -15.958 1.00 0.00 H new ATOM 0 HE3 MET A 2 -11.517 -7.813 -16.976 1.00 0.00 H new ATOM 34 N SER A 3 -13.853 -9.205 -11.162 1.00 0.00 N ATOM 35 CA SER A 3 -13.160 -10.430 -10.672 1.00 0.00 C ATOM 36 C SER A 3 -11.952 -10.047 -9.814 1.00 0.00 C ATOM 37 O SER A 3 -10.835 -10.440 -10.086 1.00 0.00 O ATOM 38 CB SER A 3 -12.709 -11.163 -11.935 1.00 0.00 C ATOM 39 OG SER A 3 -13.137 -12.517 -11.872 1.00 0.00 O ATOM 0 H SER A 3 -14.841 -9.139 -10.919 1.00 0.00 H new ATOM 0 HA SER A 3 -13.807 -11.049 -10.051 1.00 0.00 H new ATOM 0 HB2 SER A 3 -13.126 -10.679 -12.818 1.00 0.00 H new ATOM 0 HB3 SER A 3 -11.624 -11.117 -12.028 1.00 0.00 H new ATOM 0 HG SER A 3 -12.850 -12.989 -12.682 1.00 0.00 H new ATOM 45 N SER A 4 -12.167 -9.283 -8.778 1.00 0.00 N ATOM 46 CA SER A 4 -11.030 -8.876 -7.902 1.00 0.00 C ATOM 47 C SER A 4 -11.416 -9.026 -6.429 1.00 0.00 C ATOM 48 O SER A 4 -11.808 -8.076 -5.779 1.00 0.00 O ATOM 49 CB SER A 4 -10.775 -7.409 -8.243 1.00 0.00 C ATOM 50 OG SER A 4 -9.534 -7.005 -7.676 1.00 0.00 O ATOM 0 H SER A 4 -13.080 -8.923 -8.500 1.00 0.00 H new ATOM 0 HA SER A 4 -10.145 -9.492 -8.061 1.00 0.00 H new ATOM 0 HB2 SER A 4 -10.756 -7.273 -9.324 1.00 0.00 H new ATOM 0 HB3 SER A 4 -11.584 -6.788 -7.858 1.00 0.00 H new ATOM 0 HG SER A 4 -9.699 -6.518 -6.841 1.00 0.00 H new ATOM 56 N GLU A 5 -11.312 -10.212 -5.896 1.00 0.00 N ATOM 57 CA GLU A 5 -11.674 -10.422 -4.465 1.00 0.00 C ATOM 58 C GLU A 5 -10.638 -9.761 -3.553 1.00 0.00 C ATOM 59 O GLU A 5 -10.834 -9.642 -2.360 1.00 0.00 O ATOM 60 CB GLU A 5 -11.667 -11.940 -4.274 1.00 0.00 C ATOM 61 CG GLU A 5 -13.106 -12.452 -4.194 1.00 0.00 C ATOM 62 CD GLU A 5 -13.527 -12.571 -2.729 1.00 0.00 C ATOM 63 OE1 GLU A 5 -12.767 -13.136 -1.960 1.00 0.00 O ATOM 64 OE2 GLU A 5 -14.600 -12.093 -2.400 1.00 0.00 O ATOM 0 H GLU A 5 -10.992 -11.045 -6.389 1.00 0.00 H new ATOM 0 HA GLU A 5 -12.640 -9.984 -4.215 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -11.145 -12.419 -5.103 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -11.126 -12.200 -3.364 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -13.775 -11.771 -4.721 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -13.186 -13.422 -4.686 1.00 0.00 H new ATOM 71 N HIS A 6 -9.537 -9.330 -4.104 1.00 0.00 N ATOM 72 CA HIS A 6 -8.490 -8.675 -3.268 1.00 0.00 C ATOM 73 C HIS A 6 -8.935 -7.265 -2.874 1.00 0.00 C ATOM 74 O HIS A 6 -8.239 -6.555 -2.175 1.00 0.00 O ATOM 75 CB HIS A 6 -7.250 -8.619 -4.158 1.00 0.00 C ATOM 76 CG HIS A 6 -7.032 -9.960 -4.804 1.00 0.00 C ATOM 77 ND1 HIS A 6 -7.354 -10.204 -6.129 1.00 0.00 N ATOM 78 CD2 HIS A 6 -6.527 -11.140 -4.316 1.00 0.00 C ATOM 79 CE1 HIS A 6 -7.041 -11.486 -6.393 1.00 0.00 C ATOM 80 NE2 HIS A 6 -6.534 -12.103 -5.322 1.00 0.00 N ATOM 0 H HIS A 6 -9.316 -9.403 -5.097 1.00 0.00 H new ATOM 0 HA HIS A 6 -8.301 -9.218 -2.342 1.00 0.00 H new ATOM 0 HB2 HIS A 6 -7.373 -7.852 -4.922 1.00 0.00 H new ATOM 0 HB3 HIS A 6 -6.377 -8.343 -3.566 1.00 0.00 H new ATOM 0 HD2 HIS A 6 -6.178 -11.297 -3.306 1.00 0.00 H new ATOM 0 HE1 HIS A 6 -7.182 -11.959 -7.354 1.00 0.00 H new ATOM 0 HE2 HIS A 6 -6.220 -13.071 -5.255 1.00 0.00 H new ATOM 88 N THR A 7 -10.092 -6.853 -3.315 1.00 0.00 N ATOM 89 CA THR A 7 -10.583 -5.488 -2.965 1.00 0.00 C ATOM 90 C THR A 7 -11.295 -5.515 -1.610 1.00 0.00 C ATOM 91 O THR A 7 -11.994 -6.453 -1.286 1.00 0.00 O ATOM 92 CB THR A 7 -11.563 -5.122 -4.080 1.00 0.00 C ATOM 93 OG1 THR A 7 -11.117 -5.688 -5.305 1.00 0.00 O ATOM 94 CG2 THR A 7 -11.638 -3.600 -4.216 1.00 0.00 C ATOM 0 H THR A 7 -10.719 -7.402 -3.903 1.00 0.00 H new ATOM 0 HA THR A 7 -9.772 -4.765 -2.883 1.00 0.00 H new ATOM 0 HB THR A 7 -12.552 -5.512 -3.838 1.00 0.00 H new ATOM 0 HG1 THR A 7 -11.688 -6.448 -5.541 1.00 0.00 H new ATOM 0 HG21 THR A 7 -12.337 -3.340 -5.011 1.00 0.00 H new ATOM 0 HG22 THR A 7 -11.980 -3.167 -3.276 1.00 0.00 H new ATOM 0 HG23 THR A 7 -10.650 -3.207 -4.458 1.00 0.00 H new ATOM 102 N CYS A 8 -11.123 -4.491 -0.820 1.00 0.00 N ATOM 103 CA CYS A 8 -11.792 -4.459 0.513 1.00 0.00 C ATOM 104 C CYS A 8 -13.224 -4.982 0.402 1.00 0.00 C ATOM 105 O CYS A 8 -13.825 -4.957 -0.654 1.00 0.00 O ATOM 106 CB CYS A 8 -11.796 -2.984 0.923 1.00 0.00 C ATOM 107 SG CYS A 8 -12.407 -1.976 -0.452 1.00 0.00 S ATOM 0 H CYS A 8 -10.550 -3.676 -1.038 1.00 0.00 H new ATOM 0 HA CYS A 8 -11.279 -5.086 1.243 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -12.426 -2.841 1.801 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -10.789 -2.670 1.199 1.00 0.00 H new ATOM 112 N ILE A 9 -13.780 -5.445 1.486 1.00 0.00 N ATOM 113 CA ILE A 9 -15.178 -5.958 1.447 1.00 0.00 C ATOM 114 C ILE A 9 -16.145 -4.793 1.644 1.00 0.00 C ATOM 115 O ILE A 9 -17.122 -4.895 2.359 1.00 0.00 O ATOM 116 CB ILE A 9 -15.275 -6.945 2.610 1.00 0.00 C ATOM 117 CG1 ILE A 9 -16.561 -7.763 2.476 1.00 0.00 C ATOM 118 CG2 ILE A 9 -15.295 -6.177 3.933 1.00 0.00 C ATOM 119 CD1 ILE A 9 -16.379 -8.828 1.393 1.00 0.00 C ATOM 0 H ILE A 9 -13.327 -5.491 2.399 1.00 0.00 H new ATOM 0 HA ILE A 9 -15.428 -6.435 0.500 1.00 0.00 H new ATOM 0 HB ILE A 9 -14.414 -7.613 2.592 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -16.805 -8.235 3.428 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -17.395 -7.109 2.221 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -15.364 -6.882 4.762 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -14.380 -5.593 4.029 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -16.156 -5.508 3.953 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -17.295 -9.411 1.298 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -16.156 -8.345 0.442 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -15.556 -9.488 1.667 1.00 0.00 H new ATOM 131 N ASP A 10 -15.863 -3.679 1.018 1.00 0.00 N ATOM 132 CA ASP A 10 -16.739 -2.478 1.158 1.00 0.00 C ATOM 133 C ASP A 10 -16.396 -1.733 2.450 1.00 0.00 C ATOM 134 O ASP A 10 -17.262 -1.234 3.141 1.00 0.00 O ATOM 135 CB ASP A 10 -18.173 -3.012 1.205 1.00 0.00 C ATOM 136 CG ASP A 10 -19.130 -1.952 0.655 1.00 0.00 C ATOM 137 OD1 ASP A 10 -18.660 -1.047 -0.013 1.00 0.00 O ATOM 138 OD2 ASP A 10 -20.317 -2.064 0.913 1.00 0.00 O ATOM 0 H ASP A 10 -15.055 -3.550 0.410 1.00 0.00 H new ATOM 0 HA ASP A 10 -16.606 -1.776 0.335 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -18.251 -3.927 0.618 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -18.445 -3.266 2.230 1.00 0.00 H new ATOM 143 N THR A 11 -15.134 -1.656 2.778 1.00 0.00 N ATOM 144 CA THR A 11 -14.729 -0.945 4.023 1.00 0.00 C ATOM 145 C THR A 11 -14.782 0.568 3.805 1.00 0.00 C ATOM 146 O THR A 11 -15.179 1.040 2.758 1.00 0.00 O ATOM 147 CB THR A 11 -13.291 -1.396 4.289 1.00 0.00 C ATOM 148 OG1 THR A 11 -12.941 -1.085 5.631 1.00 0.00 O ATOM 149 CG2 THR A 11 -12.339 -0.675 3.332 1.00 0.00 C ATOM 0 H THR A 11 -14.367 -2.055 2.237 1.00 0.00 H new ATOM 0 HA THR A 11 -15.388 -1.171 4.861 1.00 0.00 H new ATOM 0 HB THR A 11 -13.213 -2.472 4.131 1.00 0.00 H new ATOM 0 HG1 THR A 11 -11.980 -0.899 5.684 1.00 0.00 H new ATOM 0 HG21 THR A 11 -11.316 -0.998 3.524 1.00 0.00 H new ATOM 0 HG22 THR A 11 -12.608 -0.914 2.303 1.00 0.00 H new ATOM 0 HG23 THR A 11 -12.414 0.401 3.486 1.00 0.00 H new ATOM 157 N ASN A 12 -14.379 1.334 4.781 1.00 0.00 N ATOM 158 CA ASN A 12 -14.402 2.812 4.618 1.00 0.00 C ATOM 159 C ASN A 12 -13.250 3.246 3.712 1.00 0.00 C ATOM 160 O ASN A 12 -12.095 3.171 4.081 1.00 0.00 O ATOM 161 CB ASN A 12 -14.222 3.373 6.029 1.00 0.00 C ATOM 162 CG ASN A 12 -14.737 4.812 6.076 1.00 0.00 C ATOM 163 OD1 ASN A 12 -15.467 5.237 5.203 1.00 0.00 O ATOM 164 ND2 ASN A 12 -14.387 5.586 7.067 1.00 0.00 N ATOM 0 H ASN A 12 -14.036 1.000 5.682 1.00 0.00 H new ATOM 0 HA ASN A 12 -15.325 3.169 4.161 1.00 0.00 H new ATOM 0 HB2 ASN A 12 -14.764 2.758 6.748 1.00 0.00 H new ATOM 0 HB3 ASN A 12 -13.170 3.343 6.312 1.00 0.00 H new ATOM 0 HD21 ASN A 12 -14.726 6.547 7.108 1.00 0.00 H new ATOM 0 HD22 ASN A 12 -13.774 5.230 7.800 1.00 0.00 H new ATOM 171 N VAL A 13 -13.555 3.695 2.530 1.00 0.00 N ATOM 172 CA VAL A 13 -12.478 4.128 1.596 1.00 0.00 C ATOM 173 C VAL A 13 -12.871 5.437 0.904 1.00 0.00 C ATOM 174 O VAL A 13 -13.540 5.427 -0.110 1.00 0.00 O ATOM 175 CB VAL A 13 -12.362 2.997 0.575 1.00 0.00 C ATOM 176 CG1 VAL A 13 -11.272 3.336 -0.443 1.00 0.00 C ATOM 177 CG2 VAL A 13 -11.997 1.697 1.296 1.00 0.00 C ATOM 0 H VAL A 13 -14.505 3.782 2.168 1.00 0.00 H new ATOM 0 HA VAL A 13 -11.535 4.312 2.111 1.00 0.00 H new ATOM 0 HB VAL A 13 -13.315 2.875 0.060 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -11.190 2.529 -1.171 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -11.529 4.263 -0.956 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -10.319 3.459 0.072 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -11.914 0.889 0.569 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -11.044 1.822 1.811 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -12.773 1.454 2.022 1.00 0.00 H new ATOM 187 N PRO A 14 -12.436 6.523 1.481 1.00 0.00 N ATOM 188 CA PRO A 14 -12.743 7.859 0.914 1.00 0.00 C ATOM 189 C PRO A 14 -12.233 7.952 -0.527 1.00 0.00 C ATOM 190 O PRO A 14 -11.172 7.457 -0.853 1.00 0.00 O ATOM 191 CB PRO A 14 -11.988 8.833 1.820 1.00 0.00 C ATOM 192 CG PRO A 14 -11.674 8.066 3.066 1.00 0.00 C ATOM 193 CD PRO A 14 -11.628 6.607 2.699 1.00 0.00 C ATOM 0 HA PRO A 14 -13.812 8.069 0.879 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -11.077 9.189 1.339 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -12.595 9.711 2.043 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -10.720 8.387 3.483 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -12.432 8.246 3.828 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -10.606 6.271 2.524 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -12.037 5.982 3.493 1.00 0.00 H new ATOM 201 N ASP A 15 -12.980 8.580 -1.391 1.00 0.00 N ATOM 202 CA ASP A 15 -12.538 8.703 -2.809 1.00 0.00 C ATOM 203 C ASP A 15 -11.041 9.016 -2.875 1.00 0.00 C ATOM 204 O ASP A 15 -10.470 9.558 -1.950 1.00 0.00 O ATOM 205 CB ASP A 15 -13.354 9.864 -3.379 1.00 0.00 C ATOM 206 CG ASP A 15 -14.363 9.326 -4.398 1.00 0.00 C ATOM 207 OD1 ASP A 15 -14.104 8.275 -4.960 1.00 0.00 O ATOM 208 OD2 ASP A 15 -15.375 9.976 -4.598 1.00 0.00 O ATOM 0 H ASP A 15 -13.878 9.014 -1.177 1.00 0.00 H new ATOM 0 HA ASP A 15 -12.693 7.781 -3.369 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -13.875 10.386 -2.576 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -12.693 10.589 -3.854 1.00 0.00 H new ATOM 213 N ASN A 16 -10.404 8.678 -3.963 1.00 0.00 N ATOM 214 CA ASN A 16 -8.944 8.955 -4.094 1.00 0.00 C ATOM 215 C ASN A 16 -8.146 8.080 -3.122 1.00 0.00 C ATOM 216 O ASN A 16 -7.180 8.518 -2.530 1.00 0.00 O ATOM 217 CB ASN A 16 -8.782 10.434 -3.738 1.00 0.00 C ATOM 218 CG ASN A 16 -9.918 11.241 -4.369 1.00 0.00 C ATOM 219 OD1 ASN A 16 -10.395 10.909 -5.435 1.00 0.00 O ATOM 220 ND2 ASN A 16 -10.374 12.296 -3.751 1.00 0.00 N ATOM 0 H ASN A 16 -10.832 8.221 -4.768 1.00 0.00 H new ATOM 0 HA ASN A 16 -8.575 8.735 -5.096 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -8.790 10.561 -2.655 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -7.820 10.801 -4.095 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -11.131 12.841 -4.164 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -9.974 12.575 -2.855 1.00 0.00 H new ATOM 227 N ALA A 17 -8.539 6.846 -2.956 1.00 0.00 N ATOM 228 CA ALA A 17 -7.797 5.948 -2.025 1.00 0.00 C ATOM 229 C ALA A 17 -7.823 4.508 -2.544 1.00 0.00 C ATOM 230 O ALA A 17 -8.576 4.171 -3.437 1.00 0.00 O ATOM 231 CB ALA A 17 -8.540 6.049 -0.693 1.00 0.00 C ATOM 0 H ALA A 17 -9.340 6.422 -3.424 1.00 0.00 H new ATOM 0 HA ALA A 17 -6.749 6.233 -1.929 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -8.051 5.413 0.045 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -8.528 7.083 -0.347 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -9.572 5.723 -0.826 1.00 0.00 H new ATOM 237 N ALA A 18 -7.004 3.655 -1.990 1.00 0.00 N ATOM 238 CA ALA A 18 -6.983 2.237 -2.449 1.00 0.00 C ATOM 239 C ALA A 18 -7.197 1.296 -1.261 1.00 0.00 C ATOM 240 O ALA A 18 -6.594 1.452 -0.218 1.00 0.00 O ATOM 241 CB ALA A 18 -5.590 2.037 -3.048 1.00 0.00 C ATOM 0 H ALA A 18 -6.349 3.879 -1.240 1.00 0.00 H new ATOM 0 HA ALA A 18 -7.771 2.023 -3.170 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -5.493 1.014 -3.411 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -5.447 2.731 -3.877 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -4.835 2.224 -2.284 1.00 0.00 H new ATOM 247 N CYS A 19 -8.049 0.320 -1.408 1.00 0.00 N ATOM 248 CA CYS A 19 -8.299 -0.629 -0.285 1.00 0.00 C ATOM 249 C CYS A 19 -7.935 -2.055 -0.712 1.00 0.00 C ATOM 250 O CYS A 19 -8.337 -2.521 -1.758 1.00 0.00 O ATOM 251 CB CYS A 19 -9.794 -0.517 0.008 1.00 0.00 C ATOM 252 SG CYS A 19 -10.735 -1.273 -1.342 1.00 0.00 S ATOM 0 H CYS A 19 -8.584 0.138 -2.257 1.00 0.00 H new ATOM 0 HA CYS A 19 -7.698 -0.398 0.595 1.00 0.00 H new ATOM 0 HB2 CYS A 19 -10.028 -1.012 0.950 1.00 0.00 H new ATOM 0 HB3 CYS A 19 -10.076 0.530 0.120 1.00 0.00 H new ATOM 257 N TYR A 20 -7.174 -2.747 0.090 1.00 0.00 N ATOM 258 CA TYR A 20 -6.784 -4.141 -0.276 1.00 0.00 C ATOM 259 C TYR A 20 -7.220 -5.124 0.814 1.00 0.00 C ATOM 260 O TYR A 20 -7.069 -4.868 1.993 1.00 0.00 O ATOM 261 CB TYR A 20 -5.259 -4.107 -0.387 1.00 0.00 C ATOM 262 CG TYR A 20 -4.756 -5.465 -0.811 1.00 0.00 C ATOM 263 CD1 TYR A 20 -4.463 -6.437 0.154 1.00 0.00 C ATOM 264 CD2 TYR A 20 -4.580 -5.753 -2.169 1.00 0.00 C ATOM 265 CE1 TYR A 20 -3.997 -7.696 -0.239 1.00 0.00 C ATOM 266 CE2 TYR A 20 -4.111 -7.014 -2.563 1.00 0.00 C ATOM 267 CZ TYR A 20 -3.820 -7.984 -1.598 1.00 0.00 C ATOM 268 OH TYR A 20 -3.361 -9.227 -1.985 1.00 0.00 O ATOM 0 H TYR A 20 -6.806 -2.411 0.980 1.00 0.00 H new ATOM 0 HA TYR A 20 -7.256 -4.470 -1.202 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -4.953 -3.352 -1.111 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -4.820 -3.827 0.571 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -4.597 -6.214 1.202 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -4.805 -5.004 -2.914 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -3.774 -8.446 0.506 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -3.974 -7.236 -3.611 1.00 0.00 H new ATOM 0 HH TYR A 20 -3.296 -9.262 -2.962 1.00 0.00 H new ATOM 278 N ARG A 21 -7.758 -6.250 0.428 1.00 0.00 N ATOM 279 CA ARG A 21 -8.201 -7.255 1.438 1.00 0.00 C ATOM 280 C ARG A 21 -7.475 -8.583 1.209 1.00 0.00 C ATOM 281 O ARG A 21 -7.655 -9.232 0.198 1.00 0.00 O ATOM 282 CB ARG A 21 -9.703 -7.416 1.205 1.00 0.00 C ATOM 283 CG ARG A 21 -10.197 -8.683 1.908 1.00 0.00 C ATOM 284 CD ARG A 21 -11.432 -8.354 2.748 1.00 0.00 C ATOM 285 NE ARG A 21 -11.946 -9.673 3.209 1.00 0.00 N ATOM 286 CZ ARG A 21 -12.796 -9.734 4.200 1.00 0.00 C ATOM 287 NH1 ARG A 21 -13.195 -8.638 4.787 1.00 0.00 N ATOM 288 NH2 ARG A 21 -13.246 -10.890 4.603 1.00 0.00 N ATOM 0 H ARG A 21 -7.910 -6.518 -0.544 1.00 0.00 H new ATOM 0 HA ARG A 21 -7.980 -6.943 2.459 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -10.236 -6.545 1.586 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -9.912 -7.475 0.137 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -10.439 -9.449 1.171 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -9.410 -9.089 2.543 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -11.176 -7.713 3.592 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -12.180 -7.823 2.159 1.00 0.00 H new ATOM 0 HE ARG A 21 -11.635 -10.530 2.751 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -12.843 -7.734 4.472 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -13.858 -8.686 5.560 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -12.935 -11.746 4.145 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -13.909 -10.938 5.376 1.00 0.00 H new ATOM 302 N TYR A 22 -6.654 -8.991 2.138 1.00 0.00 N ATOM 303 CA TYR A 22 -5.912 -10.274 1.968 1.00 0.00 C ATOM 304 C TYR A 22 -6.884 -11.460 1.964 1.00 0.00 C ATOM 305 O TYR A 22 -8.074 -11.304 2.151 1.00 0.00 O ATOM 306 CB TYR A 22 -4.974 -10.354 3.172 1.00 0.00 C ATOM 307 CG TYR A 22 -3.707 -11.074 2.776 1.00 0.00 C ATOM 308 CD1 TYR A 22 -2.680 -10.377 2.125 1.00 0.00 C ATOM 309 CD2 TYR A 22 -3.558 -12.436 3.057 1.00 0.00 C ATOM 310 CE1 TYR A 22 -1.506 -11.044 1.758 1.00 0.00 C ATOM 311 CE2 TYR A 22 -2.384 -13.104 2.690 1.00 0.00 C ATOM 312 CZ TYR A 22 -1.358 -12.408 2.040 1.00 0.00 C ATOM 313 OH TYR A 22 -0.200 -13.066 1.677 1.00 0.00 O ATOM 0 H TYR A 22 -6.465 -8.492 3.007 1.00 0.00 H new ATOM 0 HA TYR A 22 -5.369 -10.310 1.024 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -4.739 -9.352 3.530 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -5.462 -10.880 3.993 1.00 0.00 H new ATOM 0 HD1 TYR A 22 -2.795 -9.326 1.907 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -4.350 -12.973 3.558 1.00 0.00 H new ATOM 0 HE1 TYR A 22 -0.714 -10.507 1.257 1.00 0.00 H new ATOM 0 HE2 TYR A 22 -2.270 -14.156 2.908 1.00 0.00 H new ATOM 0 HH TYR A 22 -0.260 -14.006 1.947 1.00 0.00 H new ATOM 323 N LEU A 23 -6.378 -12.644 1.749 1.00 0.00 N ATOM 324 CA LEU A 23 -7.258 -13.848 1.725 1.00 0.00 C ATOM 325 C LEU A 23 -7.700 -14.225 3.143 1.00 0.00 C ATOM 326 O LEU A 23 -8.711 -14.872 3.334 1.00 0.00 O ATOM 327 CB LEU A 23 -6.396 -14.957 1.119 1.00 0.00 C ATOM 328 CG LEU A 23 -6.907 -15.293 -0.282 1.00 0.00 C ATOM 329 CD1 LEU A 23 -6.613 -14.127 -1.227 1.00 0.00 C ATOM 330 CD2 LEU A 23 -6.202 -16.552 -0.793 1.00 0.00 C ATOM 0 H LEU A 23 -5.388 -12.830 1.588 1.00 0.00 H new ATOM 0 HA LEU A 23 -8.168 -13.676 1.151 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -5.355 -14.638 1.071 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -6.428 -15.844 1.752 1.00 0.00 H new ATOM 0 HG LEU A 23 -7.982 -15.467 -0.244 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -6.978 -14.367 -2.226 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -7.114 -13.229 -0.864 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -5.538 -13.952 -1.266 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -6.566 -16.793 -1.792 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -5.127 -16.377 -0.831 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -6.411 -17.384 -0.121 1.00 0.00 H new ATOM 342 N ASP A 24 -6.947 -13.839 4.135 1.00 0.00 N ATOM 343 CA ASP A 24 -7.322 -14.191 5.536 1.00 0.00 C ATOM 344 C ASP A 24 -8.468 -13.303 6.033 1.00 0.00 C ATOM 345 O ASP A 24 -8.759 -13.256 7.212 1.00 0.00 O ATOM 346 CB ASP A 24 -6.057 -13.941 6.357 1.00 0.00 C ATOM 347 CG ASP A 24 -5.289 -15.252 6.527 1.00 0.00 C ATOM 348 OD1 ASP A 24 -5.483 -16.140 5.713 1.00 0.00 O ATOM 349 OD2 ASP A 24 -4.519 -15.347 7.468 1.00 0.00 O ATOM 0 H ASP A 24 -6.089 -13.296 4.038 1.00 0.00 H new ATOM 0 HA ASP A 24 -7.670 -15.221 5.617 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -5.429 -13.202 5.860 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -6.319 -13.532 7.333 1.00 0.00 H new ATOM 354 N GLY A 25 -9.128 -12.605 5.148 1.00 0.00 N ATOM 355 CA GLY A 25 -10.255 -11.732 5.580 1.00 0.00 C ATOM 356 C GLY A 25 -9.709 -10.413 6.121 1.00 0.00 C ATOM 357 O GLY A 25 -10.455 -9.515 6.463 1.00 0.00 O ATOM 0 H GLY A 25 -8.935 -12.602 4.146 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -10.923 -11.542 4.740 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -10.843 -12.235 6.348 1.00 0.00 H new ATOM 361 N THR A 26 -8.415 -10.279 6.202 1.00 0.00 N ATOM 362 CA THR A 26 -7.830 -9.010 6.720 1.00 0.00 C ATOM 363 C THR A 26 -8.421 -7.819 5.963 1.00 0.00 C ATOM 364 O THR A 26 -8.990 -7.971 4.901 1.00 0.00 O ATOM 365 CB THR A 26 -6.328 -9.122 6.459 1.00 0.00 C ATOM 366 OG1 THR A 26 -6.084 -9.024 5.064 1.00 0.00 O ATOM 367 CG2 THR A 26 -5.818 -10.467 6.976 1.00 0.00 C ATOM 0 H THR A 26 -7.737 -10.992 5.932 1.00 0.00 H new ATOM 0 HA THR A 26 -8.043 -8.857 7.778 1.00 0.00 H new ATOM 0 HB THR A 26 -5.807 -8.316 6.976 1.00 0.00 H new ATOM 0 HG1 THR A 26 -5.746 -8.129 4.853 1.00 0.00 H new ATOM 0 HG21 THR A 26 -4.747 -10.546 6.789 1.00 0.00 H new ATOM 0 HG22 THR A 26 -6.006 -10.540 8.047 1.00 0.00 H new ATOM 0 HG23 THR A 26 -6.337 -11.275 6.461 1.00 0.00 H new ATOM 375 N GLU A 27 -8.293 -6.637 6.496 1.00 0.00 N ATOM 376 CA GLU A 27 -8.854 -5.445 5.799 1.00 0.00 C ATOM 377 C GLU A 27 -8.011 -4.203 6.102 1.00 0.00 C ATOM 378 O GLU A 27 -7.696 -3.915 7.240 1.00 0.00 O ATOM 379 CB GLU A 27 -10.266 -5.288 6.359 1.00 0.00 C ATOM 380 CG GLU A 27 -11.287 -5.682 5.291 1.00 0.00 C ATOM 381 CD GLU A 27 -12.401 -4.634 5.239 1.00 0.00 C ATOM 382 OE1 GLU A 27 -12.560 -3.919 6.214 1.00 0.00 O ATOM 383 OE2 GLU A 27 -13.075 -4.564 4.225 1.00 0.00 O ATOM 0 H GLU A 27 -7.826 -6.444 7.382 1.00 0.00 H new ATOM 0 HA GLU A 27 -8.856 -5.565 4.716 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -10.389 -5.914 7.243 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -10.432 -4.257 6.672 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -10.801 -5.760 4.319 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -11.706 -6.663 5.517 1.00 0.00 H new ATOM 390 N GLU A 28 -7.649 -3.463 5.091 1.00 0.00 N ATOM 391 CA GLU A 28 -6.833 -2.235 5.314 1.00 0.00 C ATOM 392 C GLU A 28 -7.170 -1.184 4.251 1.00 0.00 C ATOM 393 O GLU A 28 -7.443 -1.506 3.112 1.00 0.00 O ATOM 394 CB GLU A 28 -5.381 -2.692 5.176 1.00 0.00 C ATOM 395 CG GLU A 28 -5.154 -3.268 3.777 1.00 0.00 C ATOM 396 CD GLU A 28 -4.971 -4.784 3.871 1.00 0.00 C ATOM 397 OE1 GLU A 28 -5.926 -5.455 4.228 1.00 0.00 O ATOM 398 OE2 GLU A 28 -3.879 -5.248 3.585 1.00 0.00 O ATOM 0 H GLU A 28 -7.883 -3.656 4.117 1.00 0.00 H new ATOM 0 HA GLU A 28 -7.023 -1.780 6.286 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -4.707 -1.853 5.348 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -5.153 -3.444 5.931 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -6.002 -3.033 3.134 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -4.274 -2.812 3.323 1.00 0.00 H new ATOM 405 N TRP A 29 -7.154 0.070 4.614 1.00 0.00 N ATOM 406 CA TRP A 29 -7.474 1.133 3.617 1.00 0.00 C ATOM 407 C TRP A 29 -6.212 1.925 3.269 1.00 0.00 C ATOM 408 O TRP A 29 -5.481 2.360 4.136 1.00 0.00 O ATOM 409 CB TRP A 29 -8.510 2.047 4.288 1.00 0.00 C ATOM 410 CG TRP A 29 -8.858 1.534 5.651 1.00 0.00 C ATOM 411 CD1 TRP A 29 -8.704 2.226 6.803 1.00 0.00 C ATOM 412 CD2 TRP A 29 -9.415 0.239 6.022 1.00 0.00 C ATOM 413 NE1 TRP A 29 -9.131 1.440 7.858 1.00 0.00 N ATOM 414 CE2 TRP A 29 -9.578 0.206 7.427 1.00 0.00 C ATOM 415 CE3 TRP A 29 -9.791 -0.898 5.285 1.00 0.00 C ATOM 416 CZ2 TRP A 29 -10.094 -0.913 8.079 1.00 0.00 C ATOM 417 CZ3 TRP A 29 -10.312 -2.027 5.937 1.00 0.00 C ATOM 418 CH2 TRP A 29 -10.462 -2.035 7.333 1.00 0.00 C ATOM 0 H TRP A 29 -6.935 0.404 5.553 1.00 0.00 H new ATOM 0 HA TRP A 29 -7.860 0.710 2.689 1.00 0.00 H new ATOM 0 HB2 TRP A 29 -8.115 3.060 4.364 1.00 0.00 H new ATOM 0 HB3 TRP A 29 -9.408 2.101 3.673 1.00 0.00 H new ATOM 0 HD1 TRP A 29 -8.312 3.229 6.886 1.00 0.00 H new ATOM 0 HE1 TRP A 29 -9.117 1.735 8.834 1.00 0.00 H new ATOM 0 HE3 TRP A 29 -9.678 -0.903 4.211 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 -10.208 -0.912 9.153 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 -10.599 -2.894 5.361 1.00 0.00 H new ATOM 0 HH2 TRP A 29 -10.861 -2.907 7.829 1.00 0.00 H new ATOM 429 N ARG A 30 -5.954 2.118 2.004 1.00 0.00 N ATOM 430 CA ARG A 30 -4.739 2.884 1.600 1.00 0.00 C ATOM 431 C ARG A 30 -5.146 4.124 0.801 1.00 0.00 C ATOM 432 O ARG A 30 -6.229 4.195 0.255 1.00 0.00 O ATOM 433 CB ARG A 30 -3.934 1.922 0.725 1.00 0.00 C ATOM 434 CG ARG A 30 -3.552 0.685 1.541 1.00 0.00 C ATOM 435 CD ARG A 30 -2.599 1.091 2.667 1.00 0.00 C ATOM 436 NE ARG A 30 -3.215 0.545 3.907 1.00 0.00 N ATOM 437 CZ ARG A 30 -2.576 0.622 5.042 1.00 0.00 C ATOM 438 NH1 ARG A 30 -1.395 1.177 5.092 1.00 0.00 N ATOM 439 NH2 ARG A 30 -3.118 0.144 6.130 1.00 0.00 N ATOM 0 H ARG A 30 -6.530 1.779 1.234 1.00 0.00 H new ATOM 0 HA ARG A 30 -4.162 3.230 2.458 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -4.520 1.629 -0.146 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -3.037 2.417 0.353 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -4.446 0.220 1.957 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -3.077 -0.056 0.898 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -1.602 0.681 2.508 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -2.493 2.174 2.723 1.00 0.00 H new ATOM 0 HE ARG A 30 -4.137 0.110 3.870 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -0.971 1.551 4.243 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -0.897 1.237 5.980 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -4.041 -0.289 6.092 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -2.619 0.204 7.017 1.00 0.00 H new ATOM 453 N CYS A 31 -4.288 5.104 0.729 1.00 0.00 N ATOM 454 CA CYS A 31 -4.632 6.338 -0.033 1.00 0.00 C ATOM 455 C CYS A 31 -3.537 6.652 -1.057 1.00 0.00 C ATOM 456 O CYS A 31 -2.362 6.503 -0.789 1.00 0.00 O ATOM 457 CB CYS A 31 -4.717 7.442 1.019 1.00 0.00 C ATOM 458 SG CYS A 31 -6.392 7.492 1.702 1.00 0.00 S ATOM 0 H CYS A 31 -3.365 5.104 1.164 1.00 0.00 H new ATOM 0 HA CYS A 31 -5.564 6.233 -0.589 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -3.994 7.259 1.814 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -4.465 8.404 0.574 1.00 0.00 H new ATOM 463 N LEU A 32 -3.916 7.085 -2.228 1.00 0.00 N ATOM 464 CA LEU A 32 -2.898 7.408 -3.269 1.00 0.00 C ATOM 465 C LEU A 32 -1.864 8.389 -2.709 1.00 0.00 C ATOM 466 O LEU A 32 -1.884 8.728 -1.542 1.00 0.00 O ATOM 467 CB LEU A 32 -3.687 8.054 -4.408 1.00 0.00 C ATOM 468 CG LEU A 32 -4.710 7.054 -4.952 1.00 0.00 C ATOM 469 CD1 LEU A 32 -5.481 7.690 -6.110 1.00 0.00 C ATOM 470 CD2 LEU A 32 -3.983 5.803 -5.451 1.00 0.00 C ATOM 0 H LEU A 32 -4.886 7.229 -2.509 1.00 0.00 H new ATOM 0 HA LEU A 32 -2.352 6.525 -3.601 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -4.194 8.951 -4.051 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -3.009 8.366 -5.203 1.00 0.00 H new ATOM 0 HG LEU A 32 -5.406 6.780 -4.160 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -6.209 6.977 -6.497 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -5.998 8.582 -5.756 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -4.785 7.965 -6.903 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -4.710 5.090 -5.839 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -3.287 6.078 -6.243 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -3.433 5.349 -4.627 1.00 0.00 H new ATOM 482 N LEU A 33 -0.958 8.845 -3.531 1.00 0.00 N ATOM 483 CA LEU A 33 0.077 9.801 -3.043 1.00 0.00 C ATOM 484 C LEU A 33 -0.530 11.198 -2.881 1.00 0.00 C ATOM 485 O LEU A 33 -1.704 11.406 -3.113 1.00 0.00 O ATOM 486 CB LEU A 33 1.153 9.805 -4.128 1.00 0.00 C ATOM 487 CG LEU A 33 1.937 8.493 -4.073 1.00 0.00 C ATOM 488 CD1 LEU A 33 2.675 8.282 -5.397 1.00 0.00 C ATOM 489 CD2 LEU A 33 2.952 8.555 -2.929 1.00 0.00 C ATOM 0 H LEU A 33 -0.890 8.597 -4.518 1.00 0.00 H new ATOM 0 HA LEU A 33 0.480 9.516 -2.071 1.00 0.00 H new ATOM 0 HB2 LEU A 33 0.695 9.926 -5.109 1.00 0.00 H new ATOM 0 HB3 LEU A 33 1.827 10.650 -3.984 1.00 0.00 H new ATOM 0 HG LEU A 33 1.248 7.665 -3.906 1.00 0.00 H new ATOM 0 HD11 LEU A 33 3.234 7.347 -5.357 1.00 0.00 H new ATOM 0 HD12 LEU A 33 1.954 8.239 -6.213 1.00 0.00 H new ATOM 0 HD13 LEU A 33 3.364 9.109 -5.565 1.00 0.00 H new ATOM 0 HD21 LEU A 33 3.512 7.621 -2.888 1.00 0.00 H new ATOM 0 HD22 LEU A 33 3.640 9.383 -3.098 1.00 0.00 H new ATOM 0 HD23 LEU A 33 2.428 8.705 -1.985 1.00 0.00 H new ATOM 501 N THR A 34 0.260 12.157 -2.483 1.00 0.00 N ATOM 502 CA THR A 34 -0.273 13.537 -2.305 1.00 0.00 C ATOM 503 C THR A 34 -1.542 13.506 -1.450 1.00 0.00 C ATOM 504 O THR A 34 -2.354 14.408 -1.494 1.00 0.00 O ATOM 505 CB THR A 34 -0.592 14.024 -3.719 1.00 0.00 C ATOM 506 OG1 THR A 34 0.619 14.182 -4.447 1.00 0.00 O ATOM 507 CG2 THR A 34 -1.326 15.364 -3.648 1.00 0.00 C ATOM 0 H THR A 34 1.252 12.044 -2.273 1.00 0.00 H new ATOM 0 HA THR A 34 0.436 14.192 -1.799 1.00 0.00 H new ATOM 0 HB THR A 34 -1.226 13.293 -4.221 1.00 0.00 H new ATOM 0 HG1 THR A 34 0.417 14.492 -5.354 1.00 0.00 H new ATOM 0 HG21 THR A 34 -1.552 15.709 -4.657 1.00 0.00 H new ATOM 0 HG22 THR A 34 -2.254 15.241 -3.090 1.00 0.00 H new ATOM 0 HG23 THR A 34 -0.695 16.098 -3.146 1.00 0.00 H new ATOM 515 N PHE A 35 -1.719 12.473 -0.672 1.00 0.00 N ATOM 516 CA PHE A 35 -2.936 12.384 0.184 1.00 0.00 C ATOM 517 C PHE A 35 -2.554 11.965 1.607 1.00 0.00 C ATOM 518 O PHE A 35 -1.526 11.357 1.831 1.00 0.00 O ATOM 519 CB PHE A 35 -3.803 11.308 -0.471 1.00 0.00 C ATOM 520 CG PHE A 35 -5.144 11.896 -0.840 1.00 0.00 C ATOM 521 CD1 PHE A 35 -6.157 11.988 0.123 1.00 0.00 C ATOM 522 CD2 PHE A 35 -5.374 12.349 -2.145 1.00 0.00 C ATOM 523 CE1 PHE A 35 -7.401 12.532 -0.222 1.00 0.00 C ATOM 524 CE2 PHE A 35 -6.617 12.894 -2.488 1.00 0.00 C ATOM 525 CZ PHE A 35 -7.630 12.985 -1.527 1.00 0.00 C ATOM 0 H PHE A 35 -1.074 11.687 -0.592 1.00 0.00 H new ATOM 0 HA PHE A 35 -3.455 13.339 0.261 1.00 0.00 H new ATOM 0 HB2 PHE A 35 -3.308 10.919 -1.361 1.00 0.00 H new ATOM 0 HB3 PHE A 35 -3.937 10.469 0.212 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -5.979 11.640 1.130 1.00 0.00 H new ATOM 0 HD2 PHE A 35 -4.592 12.278 -2.887 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -8.184 12.602 0.519 1.00 0.00 H new ATOM 0 HE2 PHE A 35 -6.794 13.244 -3.494 1.00 0.00 H new ATOM 0 HZ PHE A 35 -8.589 13.405 -1.792 1.00 0.00 H new ATOM 535 N LYS A 36 -3.378 12.282 2.566 1.00 0.00 N ATOM 536 CA LYS A 36 -3.067 11.898 3.972 1.00 0.00 C ATOM 537 C LYS A 36 -4.356 11.520 4.705 1.00 0.00 C ATOM 538 O LYS A 36 -5.316 12.264 4.713 1.00 0.00 O ATOM 539 CB LYS A 36 -2.438 13.145 4.596 1.00 0.00 C ATOM 540 CG LYS A 36 -0.931 12.940 4.740 1.00 0.00 C ATOM 541 CD LYS A 36 -0.633 12.261 6.078 1.00 0.00 C ATOM 542 CE LYS A 36 -0.305 10.785 5.841 1.00 0.00 C ATOM 543 NZ LYS A 36 1.156 10.756 5.551 1.00 0.00 N ATOM 0 H LYS A 36 -4.253 12.790 2.438 1.00 0.00 H new ATOM 0 HA LYS A 36 -2.400 11.038 4.031 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -2.639 14.017 3.973 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -2.884 13.340 5.571 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -0.556 12.329 3.919 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -0.416 13.899 4.684 1.00 0.00 H new ATOM 0 HD2 LYS A 36 0.204 12.756 6.570 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -1.492 12.351 6.743 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -0.546 10.182 6.716 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -0.881 10.382 5.008 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 1.392 9.880 5.042 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 1.410 11.576 4.964 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 1.688 10.791 6.444 1.00 0.00 H new ATOM 557 N GLU A 37 -4.387 10.370 5.318 1.00 0.00 N ATOM 558 CA GLU A 37 -5.618 9.950 6.043 1.00 0.00 C ATOM 559 C GLU A 37 -5.471 10.215 7.543 1.00 0.00 C ATOM 560 O GLU A 37 -4.537 9.763 8.177 1.00 0.00 O ATOM 561 CB GLU A 37 -5.748 8.453 5.770 1.00 0.00 C ATOM 562 CG GLU A 37 -6.909 8.212 4.803 1.00 0.00 C ATOM 563 CD GLU A 37 -7.017 6.718 4.495 1.00 0.00 C ATOM 564 OE1 GLU A 37 -6.023 6.027 4.653 1.00 0.00 O ATOM 565 OE2 GLU A 37 -8.091 6.289 4.107 1.00 0.00 O ATOM 0 H GLU A 37 -3.615 9.704 5.348 1.00 0.00 H new ATOM 0 HA GLU A 37 -6.498 10.502 5.712 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -4.821 8.068 5.346 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -5.919 7.916 6.703 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -7.840 8.572 5.240 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -6.751 8.773 3.882 1.00 0.00 H new ATOM 572 N GLU A 38 -6.390 10.942 8.117 1.00 0.00 N ATOM 573 CA GLU A 38 -6.307 11.233 9.577 1.00 0.00 C ATOM 574 C GLU A 38 -7.686 11.084 10.226 1.00 0.00 C ATOM 575 O GLU A 38 -8.524 11.959 10.135 1.00 0.00 O ATOM 576 CB GLU A 38 -5.826 12.682 9.666 1.00 0.00 C ATOM 577 CG GLU A 38 -5.525 13.032 11.125 1.00 0.00 C ATOM 578 CD GLU A 38 -5.010 14.470 11.209 1.00 0.00 C ATOM 579 OE1 GLU A 38 -5.817 15.377 11.072 1.00 0.00 O ATOM 580 OE2 GLU A 38 -3.819 14.642 11.409 1.00 0.00 O ATOM 0 H GLU A 38 -7.195 11.347 7.639 1.00 0.00 H new ATOM 0 HA GLU A 38 -5.636 10.549 10.097 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -4.932 12.818 9.057 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -6.587 13.354 9.269 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -6.425 12.921 11.730 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -4.782 12.344 11.529 1.00 0.00 H new ATOM 587 N GLY A 39 -7.928 9.981 10.880 1.00 0.00 N ATOM 588 CA GLY A 39 -9.252 9.777 11.536 1.00 0.00 C ATOM 589 C GLY A 39 -10.115 8.853 10.673 1.00 0.00 C ATOM 590 O GLY A 39 -11.320 8.805 10.816 1.00 0.00 O ATOM 0 H GLY A 39 -7.267 9.212 10.989 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -9.115 9.343 12.527 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -9.753 10.735 11.674 1.00 0.00 H new ATOM 594 N GLY A 40 -9.509 8.118 9.781 1.00 0.00 N ATOM 595 CA GLY A 40 -10.300 7.201 8.912 1.00 0.00 C ATOM 596 C GLY A 40 -10.704 7.932 7.632 1.00 0.00 C ATOM 597 O GLY A 40 -11.224 7.343 6.705 1.00 0.00 O ATOM 0 H GLY A 40 -8.502 8.113 9.617 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -9.711 6.317 8.668 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -11.188 6.856 9.442 1.00 0.00 H new ATOM 601 N LYS A 41 -10.464 9.213 7.570 1.00 0.00 N ATOM 602 CA LYS A 41 -10.829 9.982 6.348 1.00 0.00 C ATOM 603 C LYS A 41 -9.577 10.256 5.510 1.00 0.00 C ATOM 604 O LYS A 41 -8.490 10.386 6.033 1.00 0.00 O ATOM 605 CB LYS A 41 -11.426 11.291 6.865 1.00 0.00 C ATOM 606 CG LYS A 41 -12.906 11.363 6.483 1.00 0.00 C ATOM 607 CD LYS A 41 -13.749 11.586 7.739 1.00 0.00 C ATOM 608 CE LYS A 41 -14.459 10.282 8.114 1.00 0.00 C ATOM 609 NZ LYS A 41 -13.512 9.574 9.018 1.00 0.00 N ATOM 0 H LYS A 41 -10.031 9.760 8.314 1.00 0.00 H new ATOM 0 HA LYS A 41 -11.529 9.442 5.711 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -11.316 11.351 7.948 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -10.889 12.140 6.442 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -13.070 12.174 5.774 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -13.210 10.441 5.988 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -13.115 11.917 8.562 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -14.481 12.374 7.564 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -15.408 10.479 8.613 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -14.681 9.685 7.229 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -13.454 8.572 8.745 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -12.570 10.008 8.943 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -13.849 9.646 9.999 1.00 0.00 H new ATOM 623 N CYS A 42 -9.721 10.343 4.217 1.00 0.00 N ATOM 624 CA CYS A 42 -8.536 10.604 3.352 1.00 0.00 C ATOM 625 C CYS A 42 -8.648 11.986 2.704 1.00 0.00 C ATOM 626 O CYS A 42 -9.626 12.301 2.056 1.00 0.00 O ATOM 627 CB CYS A 42 -8.575 9.506 2.288 1.00 0.00 C ATOM 628 SG CYS A 42 -6.970 9.411 1.458 1.00 0.00 S ATOM 0 H CYS A 42 -10.607 10.245 3.722 1.00 0.00 H new ATOM 0 HA CYS A 42 -7.602 10.594 3.915 1.00 0.00 H new ATOM 0 HB2 CYS A 42 -8.815 8.548 2.748 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -9.360 9.717 1.562 1.00 0.00 H new ATOM 633 N VAL A 43 -7.653 12.813 2.876 1.00 0.00 N ATOM 634 CA VAL A 43 -7.703 14.175 2.271 1.00 0.00 C ATOM 635 C VAL A 43 -6.394 14.472 1.534 1.00 0.00 C ATOM 636 O VAL A 43 -5.375 13.875 1.815 1.00 0.00 O ATOM 637 CB VAL A 43 -7.879 15.132 3.451 1.00 0.00 C ATOM 638 CG1 VAL A 43 -8.878 14.542 4.448 1.00 0.00 C ATOM 639 CG2 VAL A 43 -6.530 15.343 4.147 1.00 0.00 C ATOM 0 H VAL A 43 -6.808 12.605 3.409 1.00 0.00 H new ATOM 0 HA VAL A 43 -8.510 14.273 1.545 1.00 0.00 H new ATOM 0 HB VAL A 43 -8.253 16.088 3.085 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -9.001 15.226 5.288 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -9.839 14.395 3.956 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -8.506 13.584 4.812 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -6.657 16.025 4.988 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -6.154 14.386 4.510 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -5.818 15.768 3.439 1.00 0.00 H new ATOM 649 N PRO A 44 -6.468 15.397 0.618 1.00 0.00 N ATOM 650 CA PRO A 44 -5.269 15.784 -0.160 1.00 0.00 C ATOM 651 C PRO A 44 -4.162 16.253 0.787 1.00 0.00 C ATOM 652 O PRO A 44 -4.413 16.952 1.749 1.00 0.00 O ATOM 653 CB PRO A 44 -5.752 16.936 -1.043 1.00 0.00 C ATOM 654 CG PRO A 44 -7.246 16.845 -1.046 1.00 0.00 C ATOM 655 CD PRO A 44 -7.657 16.158 0.229 1.00 0.00 C ATOM 0 HA PRO A 44 -4.855 14.962 -0.744 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -5.419 17.897 -0.650 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -5.352 16.849 -2.053 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -7.691 17.838 -1.108 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -7.595 16.285 -1.914 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -7.940 16.878 0.997 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -8.516 15.505 0.072 1.00 0.00 H new ATOM 663 N ALA A 45 -2.943 15.872 0.530 1.00 0.00 N ATOM 664 CA ALA A 45 -1.830 16.297 1.424 1.00 0.00 C ATOM 665 C ALA A 45 -0.815 17.135 0.644 1.00 0.00 C ATOM 666 O ALA A 45 -0.626 18.306 0.909 1.00 0.00 O ATOM 667 CB ALA A 45 -1.192 14.996 1.908 1.00 0.00 C ATOM 0 H ALA A 45 -2.669 15.286 -0.259 1.00 0.00 H new ATOM 0 HA ALA A 45 -2.179 16.913 2.253 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -0.360 15.225 2.574 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -1.934 14.404 2.444 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -0.826 14.430 1.052 1.00 0.00 H new ATOM 673 N SER A 46 -0.160 16.544 -0.320 1.00 0.00 N ATOM 674 CA SER A 46 0.843 17.301 -1.127 1.00 0.00 C ATOM 675 C SER A 46 2.109 17.561 -0.304 1.00 0.00 C ATOM 676 O SER A 46 3.210 17.284 -0.740 1.00 0.00 O ATOM 677 CB SER A 46 0.158 18.618 -1.487 1.00 0.00 C ATOM 678 OG SER A 46 0.526 18.995 -2.807 1.00 0.00 O ATOM 0 H SER A 46 -0.277 15.566 -0.585 1.00 0.00 H new ATOM 0 HA SER A 46 1.153 16.748 -2.014 1.00 0.00 H new ATOM 0 HB2 SER A 46 -0.924 18.509 -1.416 1.00 0.00 H new ATOM 0 HB3 SER A 46 0.447 19.396 -0.781 1.00 0.00 H new ATOM 0 HG SER A 46 0.086 19.839 -3.041 1.00 0.00 H new ATOM 684 N ASN A 47 1.967 18.094 0.879 1.00 0.00 N ATOM 685 CA ASN A 47 3.165 18.373 1.721 1.00 0.00 C ATOM 686 C ASN A 47 3.739 17.071 2.289 1.00 0.00 C ATOM 687 O ASN A 47 4.696 17.081 3.039 1.00 0.00 O ATOM 688 CB ASN A 47 2.654 19.270 2.850 1.00 0.00 C ATOM 689 CG ASN A 47 2.097 20.566 2.260 1.00 0.00 C ATOM 690 OD1 ASN A 47 2.839 21.485 1.973 1.00 0.00 O ATOM 691 ND2 ASN A 47 0.813 20.682 2.065 1.00 0.00 N ATOM 0 H ASN A 47 1.073 18.348 1.299 1.00 0.00 H new ATOM 0 HA ASN A 47 3.965 18.845 1.151 1.00 0.00 H new ATOM 0 HB2 ASN A 47 1.879 18.754 3.417 1.00 0.00 H new ATOM 0 HB3 ASN A 47 3.463 19.493 3.546 1.00 0.00 H new ATOM 0 HD21 ASN A 47 0.433 21.543 1.672 1.00 0.00 H new ATOM 0 HD22 ASN A 47 0.189 19.912 2.305 1.00 0.00 H new ATOM 698 N VAL A 48 3.165 15.952 1.943 1.00 0.00 N ATOM 699 CA VAL A 48 3.684 14.655 2.469 1.00 0.00 C ATOM 700 C VAL A 48 4.923 14.218 1.682 1.00 0.00 C ATOM 701 O VAL A 48 4.925 14.197 0.467 1.00 0.00 O ATOM 702 CB VAL A 48 2.539 13.661 2.268 1.00 0.00 C ATOM 703 CG1 VAL A 48 2.927 12.307 2.864 1.00 0.00 C ATOM 704 CG2 VAL A 48 1.283 14.185 2.968 1.00 0.00 C ATOM 0 H VAL A 48 2.361 15.878 1.320 1.00 0.00 H new ATOM 0 HA VAL A 48 3.985 14.725 3.514 1.00 0.00 H new ATOM 0 HB VAL A 48 2.341 13.545 1.202 1.00 0.00 H new ATOM 0 HG11 VAL A 48 2.111 11.599 2.721 1.00 0.00 H new ATOM 0 HG12 VAL A 48 3.823 11.934 2.367 1.00 0.00 H new ATOM 0 HG13 VAL A 48 3.125 12.422 3.930 1.00 0.00 H new ATOM 0 HG21 VAL A 48 0.466 13.478 2.826 1.00 0.00 H new ATOM 0 HG22 VAL A 48 1.482 14.301 4.033 1.00 0.00 H new ATOM 0 HG23 VAL A 48 1.006 15.150 2.544 1.00 0.00 H new ATOM 714 N THR A 49 5.976 13.865 2.368 1.00 0.00 N ATOM 715 CA THR A 49 7.218 13.427 1.666 1.00 0.00 C ATOM 716 C THR A 49 8.050 12.529 2.580 1.00 0.00 C ATOM 717 O THR A 49 7.822 12.461 3.772 1.00 0.00 O ATOM 718 CB THR A 49 7.971 14.720 1.354 1.00 0.00 C ATOM 719 OG1 THR A 49 7.789 15.642 2.418 1.00 0.00 O ATOM 720 CG2 THR A 49 7.434 15.326 0.056 1.00 0.00 C ATOM 0 H THR A 49 6.031 13.861 3.387 1.00 0.00 H new ATOM 0 HA THR A 49 7.004 12.852 0.765 1.00 0.00 H new ATOM 0 HB THR A 49 9.033 14.502 1.239 1.00 0.00 H new ATOM 0 HG1 THR A 49 8.135 16.520 2.153 1.00 0.00 H new ATOM 0 HG21 THR A 49 7.972 16.248 -0.165 1.00 0.00 H new ATOM 0 HG22 THR A 49 7.575 14.619 -0.761 1.00 0.00 H new ATOM 0 HG23 THR A 49 6.372 15.544 0.168 1.00 0.00 H new ATOM 728 N CYS A 50 9.010 11.837 2.034 1.00 0.00 N ATOM 729 CA CYS A 50 9.848 10.942 2.883 1.00 0.00 C ATOM 730 C CYS A 50 10.270 11.676 4.160 1.00 0.00 C ATOM 731 O CYS A 50 10.492 11.068 5.190 1.00 0.00 O ATOM 732 CB CYS A 50 11.068 10.599 2.030 1.00 0.00 C ATOM 733 SG CYS A 50 12.157 9.486 2.955 1.00 0.00 S ATOM 0 H CYS A 50 9.251 11.851 1.043 1.00 0.00 H new ATOM 0 HA CYS A 50 9.311 10.045 3.192 1.00 0.00 H new ATOM 0 HB2 CYS A 50 10.753 10.127 1.099 1.00 0.00 H new ATOM 0 HB3 CYS A 50 11.604 11.509 1.760 1.00 0.00 H new ATOM 738 N LYS A 51 10.376 12.978 4.108 1.00 0.00 N ATOM 739 CA LYS A 51 10.777 13.738 5.328 1.00 0.00 C ATOM 740 C LYS A 51 9.822 13.405 6.478 1.00 0.00 C ATOM 741 O LYS A 51 10.237 13.170 7.595 1.00 0.00 O ATOM 742 CB LYS A 51 10.672 15.216 4.936 1.00 0.00 C ATOM 743 CG LYS A 51 9.208 15.659 4.967 1.00 0.00 C ATOM 744 CD LYS A 51 9.118 17.144 4.612 1.00 0.00 C ATOM 745 CE LYS A 51 9.646 17.982 5.777 1.00 0.00 C ATOM 746 NZ LYS A 51 9.548 19.393 5.312 1.00 0.00 N ATOM 0 H LYS A 51 10.203 13.545 3.278 1.00 0.00 H new ATOM 0 HA LYS A 51 11.783 13.489 5.666 1.00 0.00 H new ATOM 0 HB2 LYS A 51 11.260 15.826 5.621 1.00 0.00 H new ATOM 0 HB3 LYS A 51 11.086 15.367 3.939 1.00 0.00 H new ATOM 0 HG2 LYS A 51 8.623 15.069 4.261 1.00 0.00 H new ATOM 0 HG3 LYS A 51 8.785 15.484 5.956 1.00 0.00 H new ATOM 0 HD2 LYS A 51 9.697 17.349 3.712 1.00 0.00 H new ATOM 0 HD3 LYS A 51 8.085 17.415 4.395 1.00 0.00 H new ATOM 0 HE2 LYS A 51 9.055 17.822 6.678 1.00 0.00 H new ATOM 0 HE3 LYS A 51 10.675 17.717 6.019 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 9.893 20.029 6.059 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 10.126 19.518 4.457 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 8.556 19.619 5.095 1.00 0.00 H new ATOM 760 N ASP A 52 8.546 13.362 6.204 1.00 0.00 N ATOM 761 CA ASP A 52 7.563 13.021 7.269 1.00 0.00 C ATOM 762 C ASP A 52 7.315 11.513 7.251 1.00 0.00 C ATOM 763 O ASP A 52 8.225 10.728 7.426 1.00 0.00 O ATOM 764 CB ASP A 52 6.294 13.791 6.902 1.00 0.00 C ATOM 765 CG ASP A 52 5.304 13.731 8.067 1.00 0.00 C ATOM 766 OD1 ASP A 52 5.653 13.154 9.085 1.00 0.00 O ATOM 767 OD2 ASP A 52 4.217 14.264 7.924 1.00 0.00 O ATOM 0 H ASP A 52 8.142 13.549 5.286 1.00 0.00 H new ATOM 0 HA ASP A 52 7.906 13.284 8.270 1.00 0.00 H new ATOM 0 HB2 ASP A 52 6.539 14.828 6.672 1.00 0.00 H new ATOM 0 HB3 ASP A 52 5.843 13.364 6.006 1.00 0.00 H new ATOM 772 N ASN A 53 6.103 11.090 7.017 1.00 0.00 N ATOM 773 CA ASN A 53 5.840 9.633 6.962 1.00 0.00 C ATOM 774 C ASN A 53 5.989 9.159 5.521 1.00 0.00 C ATOM 775 O ASN A 53 5.175 9.457 4.669 1.00 0.00 O ATOM 776 CB ASN A 53 4.400 9.465 7.445 1.00 0.00 C ATOM 777 CG ASN A 53 4.204 8.047 7.988 1.00 0.00 C ATOM 778 OD1 ASN A 53 4.163 7.095 7.232 1.00 0.00 O ATOM 779 ND2 ASN A 53 4.082 7.865 9.273 1.00 0.00 N ATOM 0 H ASN A 53 5.292 11.689 6.863 1.00 0.00 H new ATOM 0 HA ASN A 53 6.529 9.052 7.574 1.00 0.00 H new ATOM 0 HB2 ASN A 53 4.178 10.197 8.222 1.00 0.00 H new ATOM 0 HB3 ASN A 53 3.706 9.651 6.625 1.00 0.00 H new ATOM 0 HD21 ASN A 53 3.952 6.924 9.645 1.00 0.00 H new ATOM 0 HD22 ASN A 53 4.116 8.664 9.907 1.00 0.00 H new ATOM 786 N ASN A 54 7.023 8.417 5.261 1.00 0.00 N ATOM 787 CA ASN A 54 7.283 7.887 3.885 1.00 0.00 C ATOM 788 C ASN A 54 6.522 8.684 2.813 1.00 0.00 C ATOM 789 O ASN A 54 5.974 8.124 1.887 1.00 0.00 O ATOM 790 CB ASN A 54 6.811 6.436 3.931 1.00 0.00 C ATOM 791 CG ASN A 54 7.966 5.530 3.506 1.00 0.00 C ATOM 792 OD1 ASN A 54 9.114 5.922 3.559 1.00 0.00 O ATOM 793 ND2 ASN A 54 7.712 4.322 3.092 1.00 0.00 N ATOM 0 H ASN A 54 7.719 8.146 5.956 1.00 0.00 H new ATOM 0 HA ASN A 54 8.335 7.971 3.614 1.00 0.00 H new ATOM 0 HB2 ASN A 54 6.479 6.178 4.937 1.00 0.00 H new ATOM 0 HB3 ASN A 54 5.957 6.295 3.268 1.00 0.00 H new ATOM 0 HD21 ASN A 54 8.477 3.707 2.813 1.00 0.00 H new ATOM 0 HD22 ASN A 54 6.748 3.990 3.047 1.00 0.00 H new ATOM 800 N GLY A 55 6.503 9.986 2.928 1.00 0.00 N ATOM 801 CA GLY A 55 5.794 10.838 1.922 1.00 0.00 C ATOM 802 C GLY A 55 4.560 10.114 1.371 1.00 0.00 C ATOM 803 O GLY A 55 4.195 10.287 0.225 1.00 0.00 O ATOM 0 H GLY A 55 6.953 10.503 3.684 1.00 0.00 H new ATOM 0 HA2 GLY A 55 5.494 11.779 2.382 1.00 0.00 H new ATOM 0 HA3 GLY A 55 6.472 11.085 1.105 1.00 0.00 H new ATOM 807 N GLY A 56 3.912 9.306 2.168 1.00 0.00 N ATOM 808 CA GLY A 56 2.709 8.588 1.670 1.00 0.00 C ATOM 809 C GLY A 56 3.143 7.307 0.963 1.00 0.00 C ATOM 810 O GLY A 56 2.539 6.883 -0.001 1.00 0.00 O ATOM 0 H GLY A 56 4.164 9.115 3.138 1.00 0.00 H new ATOM 0 HA2 GLY A 56 2.043 8.351 2.500 1.00 0.00 H new ATOM 0 HA3 GLY A 56 2.150 9.224 0.984 1.00 0.00 H new ATOM 814 N CYS A 57 4.187 6.684 1.436 1.00 0.00 N ATOM 815 CA CYS A 57 4.656 5.430 0.791 1.00 0.00 C ATOM 816 C CYS A 57 4.138 4.224 1.576 1.00 0.00 C ATOM 817 O CYS A 57 2.974 4.142 1.909 1.00 0.00 O ATOM 818 CB CYS A 57 6.184 5.499 0.846 1.00 0.00 C ATOM 819 SG CYS A 57 6.905 4.330 -0.338 1.00 0.00 S ATOM 0 H CYS A 57 4.734 6.990 2.241 1.00 0.00 H new ATOM 0 HA CYS A 57 4.298 5.325 -0.233 1.00 0.00 H new ATOM 0 HB2 CYS A 57 6.518 6.511 0.619 1.00 0.00 H new ATOM 0 HB3 CYS A 57 6.530 5.268 1.853 1.00 0.00 H new ATOM 824 N ALA A 58 4.987 3.285 1.884 1.00 0.00 N ATOM 825 CA ALA A 58 4.520 2.093 2.642 1.00 0.00 C ATOM 826 C ALA A 58 5.621 1.596 3.583 1.00 0.00 C ATOM 827 O ALA A 58 6.775 1.943 3.428 1.00 0.00 O ATOM 828 CB ALA A 58 4.204 1.054 1.565 1.00 0.00 C ATOM 0 H ALA A 58 5.979 3.291 1.645 1.00 0.00 H new ATOM 0 HA ALA A 58 3.654 2.305 3.270 1.00 0.00 H new ATOM 0 HB1 ALA A 58 3.851 0.137 2.037 1.00 0.00 H new ATOM 0 HB2 ALA A 58 3.431 1.442 0.901 1.00 0.00 H new ATOM 0 HB3 ALA A 58 5.105 0.842 0.989 1.00 0.00 H new ATOM 834 N PRO A 59 5.219 0.800 4.537 1.00 0.00 N ATOM 835 CA PRO A 59 6.176 0.251 5.528 1.00 0.00 C ATOM 836 C PRO A 59 7.307 -0.500 4.821 1.00 0.00 C ATOM 837 O PRO A 59 8.460 -0.395 5.191 1.00 0.00 O ATOM 838 CB PRO A 59 5.334 -0.708 6.377 1.00 0.00 C ATOM 839 CG PRO A 59 4.032 -0.867 5.654 1.00 0.00 C ATOM 840 CD PRO A 59 3.852 0.342 4.778 1.00 0.00 C ATOM 0 HA PRO A 59 6.650 1.028 6.128 1.00 0.00 H new ATOM 0 HB2 PRO A 59 5.835 -1.669 6.493 1.00 0.00 H new ATOM 0 HB3 PRO A 59 5.177 -0.307 7.378 1.00 0.00 H new ATOM 0 HG2 PRO A 59 4.035 -1.778 5.055 1.00 0.00 H new ATOM 0 HG3 PRO A 59 3.208 -0.954 6.362 1.00 0.00 H new ATOM 0 HD2 PRO A 59 3.344 0.090 3.847 1.00 0.00 H new ATOM 0 HD3 PRO A 59 3.254 1.108 5.271 1.00 0.00 H new ATOM 848 N GLU A 60 6.990 -1.254 3.806 1.00 0.00 N ATOM 849 CA GLU A 60 8.053 -2.005 3.078 1.00 0.00 C ATOM 850 C GLU A 60 8.601 -1.158 1.928 1.00 0.00 C ATOM 851 O GLU A 60 9.615 -1.475 1.338 1.00 0.00 O ATOM 852 CB GLU A 60 7.358 -3.256 2.541 1.00 0.00 C ATOM 853 CG GLU A 60 7.664 -4.444 3.457 1.00 0.00 C ATOM 854 CD GLU A 60 6.352 -5.054 3.956 1.00 0.00 C ATOM 855 OE1 GLU A 60 5.434 -4.298 4.227 1.00 0.00 O ATOM 856 OE2 GLU A 60 6.288 -6.268 4.058 1.00 0.00 O ATOM 0 H GLU A 60 6.043 -1.383 3.449 1.00 0.00 H new ATOM 0 HA GLU A 60 8.898 -2.254 3.720 1.00 0.00 H new ATOM 0 HB2 GLU A 60 6.282 -3.092 2.488 1.00 0.00 H new ATOM 0 HB3 GLU A 60 7.699 -3.467 1.528 1.00 0.00 H new ATOM 0 HG2 GLU A 60 8.244 -5.193 2.918 1.00 0.00 H new ATOM 0 HG3 GLU A 60 8.271 -4.119 4.302 1.00 0.00 H new ATOM 863 N ALA A 61 7.936 -0.082 1.603 1.00 0.00 N ATOM 864 CA ALA A 61 8.416 0.783 0.488 1.00 0.00 C ATOM 865 C ALA A 61 9.320 1.895 1.027 1.00 0.00 C ATOM 866 O ALA A 61 9.108 2.415 2.105 1.00 0.00 O ATOM 867 CB ALA A 61 7.149 1.375 -0.129 1.00 0.00 C ATOM 0 H ALA A 61 7.082 0.235 2.061 1.00 0.00 H new ATOM 0 HA ALA A 61 9.003 0.225 -0.241 1.00 0.00 H new ATOM 0 HB1 ALA A 61 7.419 2.026 -0.960 1.00 0.00 H new ATOM 0 HB2 ALA A 61 6.510 0.570 -0.492 1.00 0.00 H new ATOM 0 HB3 ALA A 61 6.613 1.952 0.624 1.00 0.00 H new ATOM 873 N GLU A 62 10.323 2.263 0.281 1.00 0.00 N ATOM 874 CA GLU A 62 11.246 3.342 0.740 1.00 0.00 C ATOM 875 C GLU A 62 10.769 4.701 0.219 1.00 0.00 C ATOM 876 O GLU A 62 10.227 4.806 -0.863 1.00 0.00 O ATOM 877 CB GLU A 62 12.606 2.984 0.137 1.00 0.00 C ATOM 878 CG GLU A 62 13.644 2.866 1.256 1.00 0.00 C ATOM 879 CD GLU A 62 14.872 2.118 0.734 1.00 0.00 C ATOM 880 OE1 GLU A 62 15.693 2.745 0.085 1.00 0.00 O ATOM 881 OE2 GLU A 62 14.971 0.929 0.993 1.00 0.00 O ATOM 0 H GLU A 62 10.546 1.863 -0.630 1.00 0.00 H new ATOM 0 HA GLU A 62 11.289 3.415 1.827 1.00 0.00 H new ATOM 0 HB2 GLU A 62 12.537 2.044 -0.411 1.00 0.00 H new ATOM 0 HB3 GLU A 62 12.911 3.748 -0.578 1.00 0.00 H new ATOM 0 HG2 GLU A 62 13.931 3.857 1.607 1.00 0.00 H new ATOM 0 HG3 GLU A 62 13.217 2.337 2.108 1.00 0.00 H new ATOM 888 N CYS A 63 10.965 5.745 0.981 1.00 0.00 N ATOM 889 CA CYS A 63 10.517 7.092 0.521 1.00 0.00 C ATOM 890 C CYS A 63 11.708 7.892 -0.009 1.00 0.00 C ATOM 891 O CYS A 63 12.652 8.174 0.699 1.00 0.00 O ATOM 892 CB CYS A 63 9.926 7.773 1.761 1.00 0.00 C ATOM 893 SG CYS A 63 11.131 7.747 3.114 1.00 0.00 S ATOM 0 H CYS A 63 11.413 5.724 1.897 1.00 0.00 H new ATOM 0 HA CYS A 63 9.789 7.024 -0.288 1.00 0.00 H new ATOM 0 HB2 CYS A 63 9.653 8.802 1.526 1.00 0.00 H new ATOM 0 HB3 CYS A 63 9.013 7.262 2.066 1.00 0.00 H new ATOM 898 N LYS A 64 11.661 8.261 -1.257 1.00 0.00 N ATOM 899 CA LYS A 64 12.776 9.050 -1.854 1.00 0.00 C ATOM 900 C LYS A 64 12.208 10.293 -2.540 1.00 0.00 C ATOM 901 O LYS A 64 11.086 10.295 -3.003 1.00 0.00 O ATOM 902 CB LYS A 64 13.424 8.115 -2.877 1.00 0.00 C ATOM 903 CG LYS A 64 12.376 7.673 -3.901 1.00 0.00 C ATOM 904 CD LYS A 64 12.999 6.664 -4.867 1.00 0.00 C ATOM 905 CE LYS A 64 12.878 5.255 -4.282 1.00 0.00 C ATOM 906 NZ LYS A 64 13.959 5.169 -3.259 1.00 0.00 N ATOM 0 H LYS A 64 10.894 8.049 -1.895 1.00 0.00 H new ATOM 0 HA LYS A 64 13.497 9.390 -1.111 1.00 0.00 H new ATOM 0 HB2 LYS A 64 14.247 8.623 -3.379 1.00 0.00 H new ATOM 0 HB3 LYS A 64 13.846 7.245 -2.374 1.00 0.00 H new ATOM 0 HG2 LYS A 64 11.522 7.226 -3.393 1.00 0.00 H new ATOM 0 HG3 LYS A 64 12.003 8.537 -4.451 1.00 0.00 H new ATOM 0 HD2 LYS A 64 12.497 6.712 -5.833 1.00 0.00 H new ATOM 0 HD3 LYS A 64 14.047 6.909 -5.039 1.00 0.00 H new ATOM 0 HE2 LYS A 64 11.897 5.096 -3.834 1.00 0.00 H new ATOM 0 HE3 LYS A 64 13.003 4.495 -5.053 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 14.367 4.213 -3.265 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 14.701 5.864 -3.479 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 13.564 5.371 -2.318 1.00 0.00 H new ATOM 920 N MET A 65 12.962 11.354 -2.601 1.00 0.00 N ATOM 921 CA MET A 65 12.439 12.589 -3.252 1.00 0.00 C ATOM 922 C MET A 65 13.017 12.753 -4.658 1.00 0.00 C ATOM 923 O MET A 65 14.145 12.390 -4.927 1.00 0.00 O ATOM 924 CB MET A 65 12.882 13.740 -2.354 1.00 0.00 C ATOM 925 CG MET A 65 11.816 14.831 -2.390 1.00 0.00 C ATOM 926 SD MET A 65 12.065 15.967 -1.006 1.00 0.00 S ATOM 927 CE MET A 65 10.535 15.567 -0.131 1.00 0.00 C ATOM 0 H MET A 65 13.910 11.421 -2.232 1.00 0.00 H new ATOM 0 HA MET A 65 11.355 12.554 -3.364 1.00 0.00 H new ATOM 0 HB2 MET A 65 13.027 13.388 -1.333 1.00 0.00 H new ATOM 0 HB3 MET A 65 13.839 14.136 -2.693 1.00 0.00 H new ATOM 0 HG2 MET A 65 11.869 15.374 -3.334 1.00 0.00 H new ATOM 0 HG3 MET A 65 10.823 14.385 -2.334 1.00 0.00 H new ATOM 0 HE1 MET A 65 10.071 16.485 0.228 1.00 0.00 H new ATOM 0 HE2 MET A 65 9.851 15.056 -0.809 1.00 0.00 H new ATOM 0 HE3 MET A 65 10.759 14.918 0.716 1.00 0.00 H new ATOM 937 N THR A 66 12.245 13.301 -5.555 1.00 0.00 N ATOM 938 CA THR A 66 12.734 13.497 -6.949 1.00 0.00 C ATOM 939 C THR A 66 13.270 14.919 -7.130 1.00 0.00 C ATOM 940 O THR A 66 13.271 15.717 -6.213 1.00 0.00 O ATOM 941 CB THR A 66 11.506 13.273 -7.833 1.00 0.00 C ATOM 942 OG1 THR A 66 10.749 12.183 -7.325 1.00 0.00 O ATOM 943 CG2 THR A 66 11.954 12.962 -9.263 1.00 0.00 C ATOM 0 H THR A 66 11.293 13.623 -5.382 1.00 0.00 H new ATOM 0 HA THR A 66 13.549 12.817 -7.199 1.00 0.00 H new ATOM 0 HB THR A 66 10.891 14.173 -7.834 1.00 0.00 H new ATOM 0 HG1 THR A 66 9.794 12.396 -7.376 1.00 0.00 H new ATOM 0 HG21 THR A 66 11.078 12.803 -9.892 1.00 0.00 H new ATOM 0 HG22 THR A 66 12.533 13.799 -9.653 1.00 0.00 H new ATOM 0 HG23 THR A 66 12.570 12.063 -9.264 1.00 0.00 H new ATOM 951 N ASP A 67 13.726 15.239 -8.309 1.00 0.00 N ATOM 952 CA ASP A 67 14.262 16.608 -8.564 1.00 0.00 C ATOM 953 C ASP A 67 13.214 17.668 -8.208 1.00 0.00 C ATOM 954 O ASP A 67 13.513 18.841 -8.108 1.00 0.00 O ATOM 955 CB ASP A 67 14.568 16.639 -10.062 1.00 0.00 C ATOM 956 CG ASP A 67 15.857 15.861 -10.337 1.00 0.00 C ATOM 957 OD1 ASP A 67 16.511 15.483 -9.380 1.00 0.00 O ATOM 958 OD2 ASP A 67 16.164 15.656 -11.499 1.00 0.00 O ATOM 0 H ASP A 67 13.751 14.609 -9.111 1.00 0.00 H new ATOM 0 HA ASP A 67 15.144 16.823 -7.961 1.00 0.00 H new ATOM 0 HB2 ASP A 67 13.741 16.202 -10.622 1.00 0.00 H new ATOM 0 HB3 ASP A 67 14.674 17.670 -10.401 1.00 0.00 H new ATOM 963 N SER A 68 11.988 17.263 -8.013 1.00 0.00 N ATOM 964 CA SER A 68 10.924 18.244 -7.660 1.00 0.00 C ATOM 965 C SER A 68 10.568 18.096 -6.185 1.00 0.00 C ATOM 966 O SER A 68 9.435 18.274 -5.783 1.00 0.00 O ATOM 967 CB SER A 68 9.733 17.874 -8.543 1.00 0.00 C ATOM 968 OG SER A 68 8.691 18.820 -8.346 1.00 0.00 O ATOM 0 H SER A 68 11.678 16.294 -8.083 1.00 0.00 H new ATOM 0 HA SER A 68 11.233 19.277 -7.818 1.00 0.00 H new ATOM 0 HB2 SER A 68 10.033 17.859 -9.591 1.00 0.00 H new ATOM 0 HB3 SER A 68 9.381 16.872 -8.298 1.00 0.00 H new ATOM 0 HG SER A 68 8.546 18.951 -7.386 1.00 0.00 H new ATOM 974 N ASN A 69 11.535 17.759 -5.379 1.00 0.00 N ATOM 975 CA ASN A 69 11.280 17.583 -3.926 1.00 0.00 C ATOM 976 C ASN A 69 10.012 16.753 -3.702 1.00 0.00 C ATOM 977 O ASN A 69 9.376 16.839 -2.671 1.00 0.00 O ATOM 978 CB ASN A 69 11.117 19.001 -3.368 1.00 0.00 C ATOM 979 CG ASN A 69 9.684 19.490 -3.599 1.00 0.00 C ATOM 980 OD1 ASN A 69 9.449 20.359 -4.543 1.00 0.00 O flip ATOM 981 ND2 ASN A 69 8.772 19.078 -2.911 1.00 0.00 N flip ATOM 0 H ASN A 69 12.499 17.597 -5.669 1.00 0.00 H new ATOM 0 HA ASN A 69 12.090 17.050 -3.429 1.00 0.00 H new ATOM 0 HB2 ASN A 69 11.347 19.011 -2.302 1.00 0.00 H new ATOM 0 HB3 ASN A 69 11.823 19.675 -3.852 1.00 0.00 H new ATOM 0 HD21 ASN A 69 8.957 18.398 -2.173 1.00 0.00 H new ATOM 0 HD22 ASN A 69 7.821 19.411 -3.071 1.00 0.00 H new ATOM 988 N LYS A 70 9.647 15.943 -4.658 1.00 0.00 N ATOM 989 CA LYS A 70 8.426 15.101 -4.500 1.00 0.00 C ATOM 990 C LYS A 70 8.816 13.707 -3.999 1.00 0.00 C ATOM 991 O LYS A 70 9.716 13.082 -4.523 1.00 0.00 O ATOM 992 CB LYS A 70 7.821 15.018 -5.902 1.00 0.00 C ATOM 993 CG LYS A 70 6.358 15.465 -5.855 1.00 0.00 C ATOM 994 CD LYS A 70 6.251 16.793 -5.103 1.00 0.00 C ATOM 995 CE LYS A 70 5.538 16.568 -3.767 1.00 0.00 C ATOM 996 NZ LYS A 70 5.665 17.863 -3.042 1.00 0.00 N ATOM 0 H LYS A 70 10.142 15.827 -5.543 1.00 0.00 H new ATOM 0 HA LYS A 70 7.723 15.516 -3.778 1.00 0.00 H new ATOM 0 HB2 LYS A 70 8.383 15.649 -6.590 1.00 0.00 H new ATOM 0 HB3 LYS A 70 7.888 13.997 -6.279 1.00 0.00 H new ATOM 0 HG2 LYS A 70 5.969 15.576 -6.867 1.00 0.00 H new ATOM 0 HG3 LYS A 70 5.751 14.706 -5.361 1.00 0.00 H new ATOM 0 HD2 LYS A 70 7.245 17.207 -4.932 1.00 0.00 H new ATOM 0 HD3 LYS A 70 5.702 17.519 -5.702 1.00 0.00 H new ATOM 0 HE2 LYS A 70 4.492 16.300 -3.917 1.00 0.00 H new ATOM 0 HE3 LYS A 70 5.998 15.754 -3.206 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 4.871 17.968 -2.378 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 6.562 17.879 -2.515 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 5.651 18.647 -3.726 1.00 0.00 H new ATOM 1010 N ILE A 71 8.160 13.220 -2.980 1.00 0.00 N ATOM 1011 CA ILE A 71 8.514 11.877 -2.451 1.00 0.00 C ATOM 1012 C ILE A 71 7.988 10.766 -3.364 1.00 0.00 C ATOM 1013 O ILE A 71 6.803 10.659 -3.612 1.00 0.00 O ATOM 1014 CB ILE A 71 7.831 11.806 -1.087 1.00 0.00 C ATOM 1015 CG1 ILE A 71 8.038 10.417 -0.481 1.00 0.00 C ATOM 1016 CG2 ILE A 71 6.331 12.070 -1.256 1.00 0.00 C ATOM 1017 CD1 ILE A 71 9.414 9.891 -0.880 1.00 0.00 C ATOM 0 H ILE A 71 7.398 13.694 -2.495 1.00 0.00 H new ATOM 0 HA ILE A 71 9.593 11.739 -2.389 1.00 0.00 H new ATOM 0 HB ILE A 71 8.263 12.557 -0.425 1.00 0.00 H new ATOM 0 HG12 ILE A 71 7.956 10.466 0.605 1.00 0.00 H new ATOM 0 HG13 ILE A 71 7.261 9.736 -0.829 1.00 0.00 H new ATOM 0 HG21 ILE A 71 5.841 12.020 -0.284 1.00 0.00 H new ATOM 0 HG22 ILE A 71 6.182 13.060 -1.687 1.00 0.00 H new ATOM 0 HG23 ILE A 71 5.902 11.318 -1.918 1.00 0.00 H new ATOM 0 HD11 ILE A 71 9.564 8.901 -0.449 1.00 0.00 H new ATOM 0 HD12 ILE A 71 9.478 9.828 -1.966 1.00 0.00 H new ATOM 0 HD13 ILE A 71 10.184 10.568 -0.510 1.00 0.00 H new ATOM 1029 N VAL A 72 8.860 9.924 -3.844 1.00 0.00 N ATOM 1030 CA VAL A 72 8.413 8.803 -4.717 1.00 0.00 C ATOM 1031 C VAL A 72 8.334 7.521 -3.885 1.00 0.00 C ATOM 1032 O VAL A 72 9.180 7.261 -3.052 1.00 0.00 O ATOM 1033 CB VAL A 72 9.486 8.681 -5.799 1.00 0.00 C ATOM 1034 CG1 VAL A 72 9.047 7.647 -6.838 1.00 0.00 C ATOM 1035 CG2 VAL A 72 9.677 10.036 -6.481 1.00 0.00 C ATOM 0 H VAL A 72 9.864 9.964 -3.669 1.00 0.00 H new ATOM 0 HA VAL A 72 7.429 8.974 -5.154 1.00 0.00 H new ATOM 0 HB VAL A 72 10.425 8.365 -5.345 1.00 0.00 H new ATOM 0 HG11 VAL A 72 9.812 7.560 -7.610 1.00 0.00 H new ATOM 0 HG12 VAL A 72 8.908 6.681 -6.353 1.00 0.00 H new ATOM 0 HG13 VAL A 72 8.108 7.963 -7.292 1.00 0.00 H new ATOM 0 HG21 VAL A 72 10.442 9.950 -7.253 1.00 0.00 H new ATOM 0 HG22 VAL A 72 8.737 10.351 -6.935 1.00 0.00 H new ATOM 0 HG23 VAL A 72 9.988 10.775 -5.742 1.00 0.00 H new ATOM 1045 N CYS A 73 7.320 6.729 -4.085 1.00 0.00 N ATOM 1046 CA CYS A 73 7.189 5.479 -3.284 1.00 0.00 C ATOM 1047 C CYS A 73 7.565 4.250 -4.115 1.00 0.00 C ATOM 1048 O CYS A 73 7.091 4.061 -5.219 1.00 0.00 O ATOM 1049 CB CYS A 73 5.717 5.418 -2.888 1.00 0.00 C ATOM 1050 SG CYS A 73 5.470 4.050 -1.731 1.00 0.00 S ATOM 0 H CYS A 73 6.578 6.891 -4.766 1.00 0.00 H new ATOM 0 HA CYS A 73 7.854 5.484 -2.420 1.00 0.00 H new ATOM 0 HB2 CYS A 73 5.412 6.358 -2.429 1.00 0.00 H new ATOM 0 HB3 CYS A 73 5.095 5.279 -3.772 1.00 0.00 H new ATOM 1055 N LYS A 74 8.404 3.405 -3.580 1.00 0.00 N ATOM 1056 CA LYS A 74 8.809 2.175 -4.318 1.00 0.00 C ATOM 1057 C LYS A 74 8.954 1.005 -3.341 1.00 0.00 C ATOM 1058 O LYS A 74 9.777 1.033 -2.447 1.00 0.00 O ATOM 1059 CB LYS A 74 10.159 2.518 -4.951 1.00 0.00 C ATOM 1060 CG LYS A 74 10.848 1.232 -5.412 1.00 0.00 C ATOM 1061 CD LYS A 74 10.097 0.653 -6.612 1.00 0.00 C ATOM 1062 CE LYS A 74 11.102 0.114 -7.632 1.00 0.00 C ATOM 1063 NZ LYS A 74 10.445 -1.088 -8.219 1.00 0.00 N ATOM 0 H LYS A 74 8.828 3.515 -2.659 1.00 0.00 H new ATOM 0 HA LYS A 74 8.075 1.878 -5.067 1.00 0.00 H new ATOM 0 HB2 LYS A 74 10.016 3.190 -5.797 1.00 0.00 H new ATOM 0 HB3 LYS A 74 10.788 3.042 -4.231 1.00 0.00 H new ATOM 0 HG2 LYS A 74 11.883 1.439 -5.683 1.00 0.00 H new ATOM 0 HG3 LYS A 74 10.870 0.507 -4.599 1.00 0.00 H new ATOM 0 HD2 LYS A 74 9.430 -0.145 -6.286 1.00 0.00 H new ATOM 0 HD3 LYS A 74 9.475 1.422 -7.070 1.00 0.00 H new ATOM 0 HE2 LYS A 74 11.324 0.857 -8.398 1.00 0.00 H new ATOM 0 HE3 LYS A 74 12.048 -0.145 -7.156 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 11.073 -1.515 -8.929 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 10.252 -1.780 -7.467 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 9.551 -0.809 -8.671 1.00 0.00 H new ATOM 1077 N CYS A 75 8.165 -0.024 -3.498 1.00 0.00 N ATOM 1078 CA CYS A 75 8.272 -1.186 -2.569 1.00 0.00 C ATOM 1079 C CYS A 75 8.843 -2.401 -3.303 1.00 0.00 C ATOM 1080 O CYS A 75 8.373 -2.781 -4.357 1.00 0.00 O ATOM 1081 CB CYS A 75 6.842 -1.465 -2.103 1.00 0.00 C ATOM 1082 SG CYS A 75 6.855 -1.877 -0.340 1.00 0.00 S ATOM 0 H CYS A 75 7.455 -0.110 -4.225 1.00 0.00 H new ATOM 0 HA CYS A 75 8.937 -0.979 -1.731 1.00 0.00 H new ATOM 0 HB2 CYS A 75 6.213 -0.592 -2.279 1.00 0.00 H new ATOM 0 HB3 CYS A 75 6.414 -2.287 -2.677 1.00 0.00 H new ATOM 1087 N THR A 76 9.858 -3.010 -2.756 1.00 0.00 N ATOM 1088 CA THR A 76 10.463 -4.198 -3.420 1.00 0.00 C ATOM 1089 C THR A 76 11.301 -4.993 -2.416 1.00 0.00 C ATOM 1090 O THR A 76 12.459 -5.282 -2.648 1.00 0.00 O ATOM 1091 CB THR A 76 11.351 -3.623 -4.525 1.00 0.00 C ATOM 1092 OG1 THR A 76 12.276 -4.615 -4.951 1.00 0.00 O ATOM 1093 CG2 THR A 76 12.114 -2.408 -3.990 1.00 0.00 C ATOM 0 H THR A 76 10.295 -2.736 -1.876 1.00 0.00 H new ATOM 0 HA THR A 76 9.710 -4.880 -3.816 1.00 0.00 H new ATOM 0 HB THR A 76 10.731 -3.317 -5.368 1.00 0.00 H new ATOM 0 HG1 THR A 76 12.881 -4.837 -4.213 1.00 0.00 H new ATOM 0 HG21 THR A 76 12.746 -1.999 -4.778 1.00 0.00 H new ATOM 0 HG22 THR A 76 11.404 -1.648 -3.663 1.00 0.00 H new ATOM 0 HG23 THR A 76 12.735 -2.711 -3.147 1.00 0.00 H new ATOM 1101 N LYS A 77 10.726 -5.348 -1.298 1.00 0.00 N ATOM 1102 CA LYS A 77 11.491 -6.123 -0.279 1.00 0.00 C ATOM 1103 C LYS A 77 11.520 -7.608 -0.652 1.00 0.00 C ATOM 1104 O LYS A 77 11.044 -8.450 0.080 1.00 0.00 O ATOM 1105 CB LYS A 77 10.728 -5.913 1.029 1.00 0.00 C ATOM 1106 CG LYS A 77 11.708 -5.956 2.204 1.00 0.00 C ATOM 1107 CD LYS A 77 11.594 -4.663 3.012 1.00 0.00 C ATOM 1108 CE LYS A 77 11.893 -4.952 4.484 1.00 0.00 C ATOM 1109 NZ LYS A 77 12.938 -3.961 4.864 1.00 0.00 N ATOM 0 H LYS A 77 9.761 -5.135 -1.047 1.00 0.00 H new ATOM 0 HA LYS A 77 12.528 -5.796 -0.205 1.00 0.00 H new ATOM 0 HB2 LYS A 77 10.209 -4.955 1.010 1.00 0.00 H new ATOM 0 HB3 LYS A 77 9.968 -6.685 1.147 1.00 0.00 H new ATOM 0 HG2 LYS A 77 11.492 -6.815 2.840 1.00 0.00 H new ATOM 0 HG3 LYS A 77 12.727 -6.079 1.837 1.00 0.00 H new ATOM 0 HD2 LYS A 77 12.292 -3.919 2.628 1.00 0.00 H new ATOM 0 HD3 LYS A 77 10.593 -4.244 2.909 1.00 0.00 H new ATOM 0 HE2 LYS A 77 11.000 -4.839 5.098 1.00 0.00 H new ATOM 0 HE3 LYS A 77 12.248 -5.973 4.622 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 13.197 -4.095 5.862 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 13.779 -4.097 4.267 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 12.569 -2.998 4.728 1.00 0.00 H new ATOM 1123 N GLU A 78 12.076 -7.933 -1.786 1.00 0.00 N ATOM 1124 CA GLU A 78 12.136 -9.364 -2.206 1.00 0.00 C ATOM 1125 C GLU A 78 10.742 -9.994 -2.132 1.00 0.00 C ATOM 1126 O GLU A 78 10.251 -10.317 -1.070 1.00 0.00 O ATOM 1127 CB GLU A 78 13.080 -10.030 -1.203 1.00 0.00 C ATOM 1128 CG GLU A 78 13.857 -11.149 -1.900 1.00 0.00 C ATOM 1129 CD GLU A 78 14.137 -12.274 -0.904 1.00 0.00 C ATOM 1130 OE1 GLU A 78 13.276 -13.123 -0.738 1.00 0.00 O ATOM 1131 OE2 GLU A 78 15.208 -12.268 -0.320 1.00 0.00 O ATOM 0 H GLU A 78 12.492 -7.271 -2.441 1.00 0.00 H new ATOM 0 HA GLU A 78 12.483 -9.481 -3.233 1.00 0.00 H new ATOM 0 HB2 GLU A 78 13.771 -9.293 -0.793 1.00 0.00 H new ATOM 0 HB3 GLU A 78 12.512 -10.434 -0.365 1.00 0.00 H new ATOM 0 HG2 GLU A 78 13.285 -11.532 -2.745 1.00 0.00 H new ATOM 0 HG3 GLU A 78 14.794 -10.761 -2.299 1.00 0.00 H new ATOM 1138 N GLY A 79 10.101 -10.171 -3.255 1.00 0.00 N ATOM 1139 CA GLY A 79 8.741 -10.780 -3.249 1.00 0.00 C ATOM 1140 C GLY A 79 7.716 -9.731 -2.815 1.00 0.00 C ATOM 1141 O GLY A 79 6.637 -10.055 -2.361 1.00 0.00 O ATOM 0 H GLY A 79 10.460 -9.920 -4.176 1.00 0.00 H new ATOM 0 HA2 GLY A 79 8.495 -11.156 -4.242 1.00 0.00 H new ATOM 0 HA3 GLY A 79 8.715 -11.632 -2.570 1.00 0.00 H new ATOM 1145 N SER A 80 8.044 -8.475 -2.953 1.00 0.00 N ATOM 1146 CA SER A 80 7.088 -7.406 -2.547 1.00 0.00 C ATOM 1147 C SER A 80 6.341 -6.870 -3.771 1.00 0.00 C ATOM 1148 O SER A 80 6.907 -6.712 -4.836 1.00 0.00 O ATOM 1149 CB SER A 80 7.955 -6.311 -1.928 1.00 0.00 C ATOM 1150 OG SER A 80 7.769 -6.306 -0.519 1.00 0.00 O ATOM 0 H SER A 80 8.932 -8.143 -3.329 1.00 0.00 H new ATOM 0 HA SER A 80 6.334 -7.772 -1.850 1.00 0.00 H new ATOM 0 HB2 SER A 80 9.004 -6.483 -2.167 1.00 0.00 H new ATOM 0 HB3 SER A 80 7.688 -5.340 -2.345 1.00 0.00 H new ATOM 0 HG SER A 80 7.185 -5.560 -0.269 1.00 0.00 H new ATOM 1156 N GLU A 81 5.075 -6.588 -3.627 1.00 0.00 N ATOM 1157 CA GLU A 81 4.294 -6.060 -4.781 1.00 0.00 C ATOM 1158 C GLU A 81 3.482 -4.836 -4.352 1.00 0.00 C ATOM 1159 O GLU A 81 2.430 -4.968 -3.759 1.00 0.00 O ATOM 1160 CB GLU A 81 3.368 -7.205 -5.198 1.00 0.00 C ATOM 1161 CG GLU A 81 2.537 -7.659 -3.998 1.00 0.00 C ATOM 1162 CD GLU A 81 1.892 -9.011 -4.305 1.00 0.00 C ATOM 1163 OE1 GLU A 81 2.626 -9.947 -4.580 1.00 0.00 O ATOM 1164 OE2 GLU A 81 0.675 -9.090 -4.265 1.00 0.00 O ATOM 0 H GLU A 81 4.548 -6.700 -2.761 1.00 0.00 H new ATOM 0 HA GLU A 81 4.936 -5.742 -5.602 1.00 0.00 H new ATOM 0 HB2 GLU A 81 2.711 -6.879 -6.005 1.00 0.00 H new ATOM 0 HB3 GLU A 81 3.955 -8.039 -5.582 1.00 0.00 H new ATOM 0 HG2 GLU A 81 3.169 -7.738 -3.114 1.00 0.00 H new ATOM 0 HG3 GLU A 81 1.768 -6.920 -3.774 1.00 0.00 H new ATOM 1171 N PRO A 82 4.005 -3.681 -4.669 1.00 0.00 N ATOM 1172 CA PRO A 82 3.327 -2.412 -4.308 1.00 0.00 C ATOM 1173 C PRO A 82 1.928 -2.368 -4.922 1.00 0.00 C ATOM 1174 O PRO A 82 1.685 -2.917 -5.979 1.00 0.00 O ATOM 1175 CB PRO A 82 4.220 -1.322 -4.906 1.00 0.00 C ATOM 1176 CG PRO A 82 5.160 -2.025 -5.839 1.00 0.00 C ATOM 1177 CD PRO A 82 5.261 -3.454 -5.384 1.00 0.00 C ATOM 0 HA PRO A 82 3.197 -2.293 -3.232 1.00 0.00 H new ATOM 0 HB2 PRO A 82 3.626 -0.579 -5.437 1.00 0.00 H new ATOM 0 HB3 PRO A 82 4.767 -0.794 -4.125 1.00 0.00 H new ATOM 0 HG2 PRO A 82 4.793 -1.974 -6.864 1.00 0.00 H new ATOM 0 HG3 PRO A 82 6.140 -1.548 -5.827 1.00 0.00 H new ATOM 0 HD2 PRO A 82 5.370 -4.136 -6.227 1.00 0.00 H new ATOM 0 HD3 PRO A 82 6.124 -3.608 -4.736 1.00 0.00 H new ATOM 1185 N LEU A 83 1.000 -1.729 -4.261 1.00 0.00 N ATOM 1186 CA LEU A 83 -0.382 -1.669 -4.808 1.00 0.00 C ATOM 1187 C LEU A 83 -0.692 -0.286 -5.366 1.00 0.00 C ATOM 1188 O LEU A 83 -0.633 0.711 -4.677 1.00 0.00 O ATOM 1189 CB LEU A 83 -1.292 -2.017 -3.628 1.00 0.00 C ATOM 1190 CG LEU A 83 -2.189 -3.205 -3.994 1.00 0.00 C ATOM 1191 CD1 LEU A 83 -2.622 -3.103 -5.459 1.00 0.00 C ATOM 1192 CD2 LEU A 83 -1.411 -4.507 -3.787 1.00 0.00 C ATOM 0 H LEU A 83 1.140 -1.249 -3.372 1.00 0.00 H new ATOM 0 HA LEU A 83 -0.523 -2.359 -5.640 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -0.690 -2.261 -2.753 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -1.905 -1.155 -3.363 1.00 0.00 H new ATOM 0 HG LEU A 83 -3.074 -3.195 -3.358 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -3.259 -3.951 -5.710 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -3.175 -2.176 -5.611 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -1.741 -3.109 -6.100 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -2.045 -5.355 -4.046 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -0.526 -4.507 -4.424 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -1.107 -4.587 -2.743 1.00 0.00 H new ATOM 1204 N PHE A 84 -1.019 -0.241 -6.627 1.00 0.00 N ATOM 1205 CA PHE A 84 -1.335 1.051 -7.289 1.00 0.00 C ATOM 1206 C PHE A 84 -0.216 2.062 -7.051 1.00 0.00 C ATOM 1207 O PHE A 84 0.602 2.320 -7.911 1.00 0.00 O ATOM 1208 CB PHE A 84 -2.641 1.558 -6.658 1.00 0.00 C ATOM 1209 CG PHE A 84 -3.392 0.431 -5.985 1.00 0.00 C ATOM 1210 CD1 PHE A 84 -4.132 -0.475 -6.756 1.00 0.00 C ATOM 1211 CD2 PHE A 84 -3.364 0.304 -4.590 1.00 0.00 C ATOM 1212 CE1 PHE A 84 -4.841 -1.509 -6.132 1.00 0.00 C ATOM 1213 CE2 PHE A 84 -4.075 -0.729 -3.968 1.00 0.00 C ATOM 1214 CZ PHE A 84 -4.814 -1.635 -4.738 1.00 0.00 C ATOM 0 H PHE A 84 -1.081 -1.058 -7.234 1.00 0.00 H new ATOM 0 HA PHE A 84 -1.437 0.921 -8.366 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -2.418 2.337 -5.929 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -3.269 2.010 -7.426 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -4.156 -0.376 -7.831 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -2.794 1.003 -3.995 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -5.409 -2.209 -6.726 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -4.053 -0.827 -2.893 1.00 0.00 H new ATOM 0 HZ PHE A 84 -5.363 -2.431 -4.257 1.00 0.00 H new ATOM 1224 N GLU A 85 -0.187 2.641 -5.890 1.00 0.00 N ATOM 1225 CA GLU A 85 0.867 3.655 -5.587 1.00 0.00 C ATOM 1226 C GLU A 85 2.072 3.024 -4.873 1.00 0.00 C ATOM 1227 O GLU A 85 3.178 3.519 -4.955 1.00 0.00 O ATOM 1228 CB GLU A 85 0.172 4.708 -4.714 1.00 0.00 C ATOM 1229 CG GLU A 85 0.352 4.372 -3.235 1.00 0.00 C ATOM 1230 CD GLU A 85 1.748 4.806 -2.782 1.00 0.00 C ATOM 1231 OE1 GLU A 85 2.490 5.303 -3.614 1.00 0.00 O ATOM 1232 OE2 GLU A 85 2.050 4.635 -1.616 1.00 0.00 O ATOM 0 H GLU A 85 -0.846 2.460 -5.133 1.00 0.00 H new ATOM 0 HA GLU A 85 1.276 4.096 -6.496 1.00 0.00 H new ATOM 0 HB2 GLU A 85 0.586 5.694 -4.923 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -0.890 4.750 -4.958 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -0.409 4.878 -2.641 1.00 0.00 H new ATOM 0 HG3 GLU A 85 0.222 3.302 -3.075 1.00 0.00 H new ATOM 1239 N GLY A 86 1.874 1.936 -4.174 1.00 0.00 N ATOM 1240 CA GLY A 86 3.021 1.292 -3.464 1.00 0.00 C ATOM 1241 C GLY A 86 2.901 1.510 -1.954 1.00 0.00 C ATOM 1242 O GLY A 86 3.699 1.011 -1.187 1.00 0.00 O ATOM 0 H GLY A 86 0.974 1.468 -4.064 1.00 0.00 H new ATOM 0 HA2 GLY A 86 3.040 0.225 -3.684 1.00 0.00 H new ATOM 0 HA3 GLY A 86 3.961 1.709 -3.825 1.00 0.00 H new ATOM 1246 N VAL A 87 1.912 2.241 -1.518 1.00 0.00 N ATOM 1247 CA VAL A 87 1.744 2.477 -0.055 1.00 0.00 C ATOM 1248 C VAL A 87 1.530 1.135 0.647 1.00 0.00 C ATOM 1249 O VAL A 87 1.611 1.024 1.854 1.00 0.00 O ATOM 1250 CB VAL A 87 0.509 3.377 0.059 1.00 0.00 C ATOM 1251 CG1 VAL A 87 -0.554 2.712 0.936 1.00 0.00 C ATOM 1252 CG2 VAL A 87 0.906 4.725 0.676 1.00 0.00 C ATOM 0 H VAL A 87 1.212 2.686 -2.112 1.00 0.00 H new ATOM 0 HA VAL A 87 2.612 2.944 0.411 1.00 0.00 H new ATOM 0 HB VAL A 87 0.099 3.536 -0.939 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -1.425 3.363 1.008 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -0.847 1.760 0.493 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -0.147 2.539 1.932 1.00 0.00 H new ATOM 0 HG21 VAL A 87 0.025 5.362 0.755 1.00 0.00 H new ATOM 0 HG22 VAL A 87 1.326 4.561 1.668 1.00 0.00 H new ATOM 0 HG23 VAL A 87 1.649 5.210 0.043 1.00 0.00 H new ATOM 1262 N PHE A 88 1.271 0.115 -0.119 1.00 0.00 N ATOM 1263 CA PHE A 88 1.063 -1.239 0.458 1.00 0.00 C ATOM 1264 C PHE A 88 1.526 -2.274 -0.564 1.00 0.00 C ATOM 1265 O PHE A 88 0.840 -2.558 -1.524 1.00 0.00 O ATOM 1266 CB PHE A 88 -0.443 -1.346 0.697 1.00 0.00 C ATOM 1267 CG PHE A 88 -0.751 -2.660 1.372 1.00 0.00 C ATOM 1268 CD1 PHE A 88 -0.726 -2.754 2.769 1.00 0.00 C ATOM 1269 CD2 PHE A 88 -1.065 -3.785 0.601 1.00 0.00 C ATOM 1270 CE1 PHE A 88 -1.012 -3.972 3.394 1.00 0.00 C ATOM 1271 CE2 PHE A 88 -1.352 -5.005 1.226 1.00 0.00 C ATOM 1272 CZ PHE A 88 -1.326 -5.099 2.623 1.00 0.00 C ATOM 0 H PHE A 88 1.194 0.163 -1.135 1.00 0.00 H new ATOM 0 HA PHE A 88 1.618 -1.406 1.381 1.00 0.00 H new ATOM 0 HB2 PHE A 88 -0.784 -0.517 1.317 1.00 0.00 H new ATOM 0 HB3 PHE A 88 -0.979 -1.277 -0.250 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -0.486 -1.885 3.364 1.00 0.00 H new ATOM 0 HD2 PHE A 88 -1.086 -3.712 -0.476 1.00 0.00 H new ATOM 0 HE1 PHE A 88 -0.991 -4.044 4.471 1.00 0.00 H new ATOM 0 HE2 PHE A 88 -1.593 -5.873 0.631 1.00 0.00 H new ATOM 0 HZ PHE A 88 -1.548 -6.039 3.106 1.00 0.00 H new ATOM 1282 N CYS A 89 2.692 -2.827 -0.388 1.00 0.00 N ATOM 1283 CA CYS A 89 3.186 -3.820 -1.382 1.00 0.00 C ATOM 1284 C CYS A 89 3.154 -5.231 -0.797 1.00 0.00 C ATOM 1285 O CYS A 89 3.728 -5.504 0.237 1.00 0.00 O ATOM 1286 CB CYS A 89 4.622 -3.395 -1.691 1.00 0.00 C ATOM 1287 SG CYS A 89 5.615 -3.462 -0.181 1.00 0.00 S ATOM 0 H CYS A 89 3.320 -2.637 0.393 1.00 0.00 H new ATOM 0 HA CYS A 89 2.566 -3.842 -2.278 1.00 0.00 H new ATOM 0 HB2 CYS A 89 5.051 -4.051 -2.449 1.00 0.00 H new ATOM 0 HB3 CYS A 89 4.633 -2.385 -2.100 1.00 0.00 H new ATOM 1292 N SER A 90 2.481 -6.129 -1.462 1.00 0.00 N ATOM 1293 CA SER A 90 2.403 -7.530 -0.957 1.00 0.00 C ATOM 1294 C SER A 90 1.701 -7.564 0.403 1.00 0.00 C ATOM 1295 O SER A 90 1.736 -8.605 1.039 1.00 0.00 O ATOM 1296 CB SER A 90 3.856 -7.985 -0.825 1.00 0.00 C ATOM 1297 OG SER A 90 4.046 -8.588 0.448 1.00 0.00 O ATOM 1298 OXT SER A 90 1.141 -6.550 0.785 1.00 0.00 O ATOM 0 H SER A 90 1.981 -5.954 -2.334 1.00 0.00 H new ATOM 0 HA SER A 90 1.833 -8.178 -1.623 1.00 0.00 H new ATOM 0 HB2 SER A 90 4.100 -8.694 -1.616 1.00 0.00 H new ATOM 0 HB3 SER A 90 4.527 -7.134 -0.941 1.00 0.00 H new ATOM 0 HG SER A 90 3.290 -9.180 0.646 1.00 0.00 H new TER 1304 SER A 90