USER MOD reduce.3.24.130724 H: found=0, std=0, add=632, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 631 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 16 TYR OH : rot -106:sc= 1.24 USER MOD Set 1.2: A 68 SER OG : rot 180:sc= 0.992 USER MOD Set 1.3: A 72 LYS NZ :NH3+ -127:sc= -1.45! (180deg=-4.4!) USER MOD Set 2.1: A 62 ASN : amide:sc= 0.855 K(o=0.59,f=-6.9!) USER MOD Set 2.2: A 64 ASN : amide:sc= -0.269! K(o=0.59!,f=-0.0046) USER MOD Set 3.1: A 35 HIS : no HE2:sc= -1.46! C(o=-3.3!,f=-8.2!) USER MOD Set 3.2: A 76 ASN : amide:sc= -1.83 K(o=-3.3,f=-1.8) USER MOD Set 4.1: A 8 SER OG : rot 140:sc= 0.734 USER MOD Set 4.2: A 9 LYS NZ :NH3+ -169:sc= 0.699 (180deg=0) USER MOD Single : A 5 GLN : amide:sc= -1.1 K(o=-1.1,f=-2.7!) USER MOD Single : A 10 MET CE :methyl 137:sc= -1.59 (180deg=-2.61) USER MOD Single : A 11 LYS NZ :NH3+ -175:sc= 0.97 (180deg=0.715) USER MOD Single : A 15 THR OG1 : rot 140:sc= -0.267 USER MOD Single : A 18 GLN : amide:sc= -2.16 K(o=-2.2,f=-2.8!) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 29 ASN : amide:sc= -4.23! C(o=-4.2!,f=-4.2!) USER MOD Single : A 36 ASN : amide:sc= 0.438 K(o=0.44,f=-6.4!) USER MOD Single : A 37 GLN : amide:sc=-0.00973 X(o=-0.0097,f=-0.1) USER MOD Single : A 39 GLN : amide:sc= -2.62! C(o=-2.6!,f=-3.8!) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot -27:sc= 0.71 USER MOD Single : A 45 GLN : amide:sc= 0.422 X(o=0.42,f=-0.011) USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 ASN : amide:sc= -1.09! X(o=-1.1!,f=-0.98) USER MOD Single : A 52 LYS NZ :NH3+ 151:sc= 1.33! (180deg=-0.496) USER MOD Single : A 59 HIS : no HE2:sc= 1.22 K(o=1.2,f=-4.6!) USER MOD Single : A 60 ASN : amide:sc= -0.402 X(o=-0.4,f=-0.16) USER MOD Single : A 65 ASN : amide:sc= -11.1! C(o=-11!,f=-18!) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 74 ASN : amide:sc= -0.0703 X(o=-0.07,f=-0.012) USER MOD Single : A 79 TYR OH : rot -15:sc= -1.64! USER MOD Single : A 80 THR OG1 : rot 127:sc= 0.00824 USER MOD Single : A 82 SER OG : rot 63:sc= 2.39 USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 91 TYR OH : rot 150:sc= 1.04 USER MOD ----------------------------------------------------------------- ATOM 36 N CYS A 3 -5.036 5.960 6.877 1.00 0.00 N ATOM 37 CA CYS A 3 -4.309 4.754 6.440 1.00 0.00 C ATOM 38 C CYS A 3 -3.406 4.063 7.471 1.00 0.00 C ATOM 39 O CYS A 3 -2.279 3.723 7.186 1.00 0.00 O ATOM 40 CB CYS A 3 -3.569 5.240 5.199 1.00 0.00 C ATOM 41 SG CYS A 3 -4.644 5.452 3.764 1.00 0.00 S ATOM 0 HA CYS A 3 -5.003 3.934 6.256 1.00 0.00 H new ATOM 0 HB2 CYS A 3 -3.082 6.189 5.423 1.00 0.00 H new ATOM 0 HB3 CYS A 3 -2.781 4.528 4.952 1.00 0.00 H new ATOM 46 N GLY A 4 -3.930 3.848 8.653 1.00 0.00 N ATOM 47 CA GLY A 4 -3.106 3.165 9.719 1.00 0.00 C ATOM 48 C GLY A 4 -2.717 1.809 9.137 1.00 0.00 C ATOM 49 O GLY A 4 -1.567 1.449 8.991 1.00 0.00 O ATOM 0 H GLY A 4 -4.876 4.108 8.930 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -2.222 3.753 9.967 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -3.678 3.046 10.639 1.00 0.00 H new ATOM 53 N GLN A 5 -3.772 1.106 8.814 1.00 0.00 N ATOM 54 CA GLN A 5 -3.697 -0.259 8.207 1.00 0.00 C ATOM 55 C GLN A 5 -2.576 -0.300 7.168 1.00 0.00 C ATOM 56 O GLN A 5 -1.832 -1.257 7.039 1.00 0.00 O ATOM 57 CB GLN A 5 -5.054 -0.590 7.524 1.00 0.00 C ATOM 58 CG GLN A 5 -6.235 -0.649 8.540 1.00 0.00 C ATOM 59 CD GLN A 5 -5.903 -1.549 9.724 1.00 0.00 C ATOM 60 OE1 GLN A 5 -5.033 -2.392 9.694 1.00 0.00 O ATOM 61 NE2 GLN A 5 -6.574 -1.422 10.818 1.00 0.00 N ATOM 0 H GLN A 5 -4.726 1.439 8.953 1.00 0.00 H new ATOM 0 HA GLN A 5 -3.490 -0.993 8.985 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -5.269 0.163 6.766 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -4.974 -1.547 7.009 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -6.461 0.356 8.897 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -7.130 -1.019 8.039 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -7.315 -0.724 10.884 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -6.364 -2.020 11.617 1.00 0.00 H new ATOM 70 N VAL A 6 -2.503 0.805 6.471 1.00 0.00 N ATOM 71 CA VAL A 6 -1.487 0.974 5.402 1.00 0.00 C ATOM 72 C VAL A 6 -0.140 1.106 6.096 1.00 0.00 C ATOM 73 O VAL A 6 0.718 0.261 5.940 1.00 0.00 O ATOM 74 CB VAL A 6 -1.804 2.254 4.558 1.00 0.00 C ATOM 75 CG1 VAL A 6 -1.166 2.076 3.273 1.00 0.00 C ATOM 76 CG2 VAL A 6 -3.317 2.413 4.277 1.00 0.00 C ATOM 0 H VAL A 6 -3.118 1.608 6.604 1.00 0.00 H new ATOM 0 HA VAL A 6 -1.486 0.125 4.718 1.00 0.00 H new ATOM 0 HB VAL A 6 -1.456 3.126 5.111 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -1.360 2.947 2.647 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -0.091 1.962 3.413 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -1.565 1.185 2.789 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -3.485 3.315 3.689 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -3.677 1.546 3.723 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -3.856 2.490 5.221 1.00 0.00 H new ATOM 86 N ASP A 7 0.050 2.144 6.853 1.00 0.00 N ATOM 87 CA ASP A 7 1.357 2.292 7.558 1.00 0.00 C ATOM 88 C ASP A 7 1.711 0.963 8.319 1.00 0.00 C ATOM 89 O ASP A 7 2.855 0.748 8.676 1.00 0.00 O ATOM 90 CB ASP A 7 1.210 3.575 8.469 1.00 0.00 C ATOM 91 CG ASP A 7 0.907 3.316 9.941 1.00 0.00 C ATOM 92 OD1 ASP A 7 1.650 2.540 10.526 1.00 0.00 O ATOM 93 OD2 ASP A 7 -0.037 3.920 10.403 1.00 0.00 O ATOM 0 H ASP A 7 -0.628 2.888 7.016 1.00 0.00 H new ATOM 0 HA ASP A 7 2.204 2.443 6.888 1.00 0.00 H new ATOM 0 HB2 ASP A 7 2.133 4.151 8.404 1.00 0.00 H new ATOM 0 HB3 ASP A 7 0.416 4.199 8.059 1.00 0.00 H new ATOM 98 N SER A 8 0.746 0.099 8.555 1.00 0.00 N ATOM 99 CA SER A 8 1.048 -1.183 9.262 1.00 0.00 C ATOM 100 C SER A 8 1.426 -2.281 8.242 1.00 0.00 C ATOM 101 O SER A 8 2.385 -2.978 8.498 1.00 0.00 O ATOM 102 CB SER A 8 -0.178 -1.654 10.074 1.00 0.00 C ATOM 103 OG SER A 8 0.301 -2.790 10.809 1.00 0.00 O ATOM 0 H SER A 8 -0.230 0.229 8.289 1.00 0.00 H new ATOM 0 HA SER A 8 1.885 -1.007 9.938 1.00 0.00 H new ATOM 0 HB2 SER A 8 -0.538 -0.871 10.741 1.00 0.00 H new ATOM 0 HB3 SER A 8 -1.008 -1.923 9.421 1.00 0.00 H new ATOM 0 HG SER A 8 -0.069 -2.772 11.716 1.00 0.00 H new ATOM 109 N LYS A 9 0.741 -2.472 7.128 1.00 0.00 N ATOM 110 CA LYS A 9 1.173 -3.580 6.166 1.00 0.00 C ATOM 111 C LYS A 9 1.744 -3.075 4.795 1.00 0.00 C ATOM 112 O LYS A 9 2.044 -3.835 3.897 1.00 0.00 O ATOM 113 CB LYS A 9 -0.066 -4.526 5.898 1.00 0.00 C ATOM 114 CG LYS A 9 -1.080 -4.661 7.075 1.00 0.00 C ATOM 115 CD LYS A 9 -0.346 -5.031 8.375 1.00 0.00 C ATOM 116 CE LYS A 9 -1.303 -5.091 9.551 1.00 0.00 C ATOM 117 NZ LYS A 9 -0.432 -5.108 10.760 1.00 0.00 N ATOM 0 H LYS A 9 -0.075 -1.932 6.840 1.00 0.00 H new ATOM 0 HA LYS A 9 1.995 -4.105 6.652 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -0.600 -4.156 5.023 1.00 0.00 H new ATOM 0 HB3 LYS A 9 0.306 -5.519 5.647 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -1.619 -3.723 7.208 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -1.822 -5.424 6.839 1.00 0.00 H new ATOM 0 HD2 LYS A 9 0.147 -5.996 8.255 1.00 0.00 H new ATOM 0 HD3 LYS A 9 0.435 -4.297 8.576 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -1.972 -4.230 9.559 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -1.930 -5.982 9.504 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -1.005 -5.335 11.598 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 0.310 -5.827 10.643 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 0.007 -4.174 10.885 1.00 0.00 H new ATOM 131 N MET A 10 1.878 -1.785 4.679 1.00 0.00 N ATOM 132 CA MET A 10 2.402 -1.104 3.456 1.00 0.00 C ATOM 133 C MET A 10 3.608 -0.216 3.819 1.00 0.00 C ATOM 134 O MET A 10 4.489 -0.070 3.007 1.00 0.00 O ATOM 135 CB MET A 10 1.258 -0.258 2.839 1.00 0.00 C ATOM 136 CG MET A 10 0.045 -1.145 2.495 1.00 0.00 C ATOM 137 SD MET A 10 -0.369 -1.149 0.736 1.00 0.00 S ATOM 138 CE MET A 10 0.968 -2.275 0.269 1.00 0.00 C ATOM 0 H MET A 10 1.631 -1.136 5.426 1.00 0.00 H new ATOM 0 HA MET A 10 2.741 -1.842 2.729 1.00 0.00 H new ATOM 0 HB2 MET A 10 0.957 0.521 3.540 1.00 0.00 H new ATOM 0 HB3 MET A 10 1.615 0.243 1.939 1.00 0.00 H new ATOM 0 HG2 MET A 10 0.250 -2.167 2.814 1.00 0.00 H new ATOM 0 HG3 MET A 10 -0.819 -0.801 3.063 1.00 0.00 H new ATOM 0 HE1 MET A 10 0.592 -3.011 -0.441 1.00 0.00 H new ATOM 0 HE2 MET A 10 1.778 -1.708 -0.191 1.00 0.00 H new ATOM 0 HE3 MET A 10 1.341 -2.785 1.157 1.00 0.00 H new ATOM 148 N LYS A 11 3.651 0.401 4.978 1.00 0.00 N ATOM 149 CA LYS A 11 4.826 1.258 5.373 1.00 0.00 C ATOM 150 C LYS A 11 6.149 0.783 4.716 1.00 0.00 C ATOM 151 O LYS A 11 6.685 1.478 3.871 1.00 0.00 O ATOM 152 CB LYS A 11 4.812 1.191 6.903 1.00 0.00 C ATOM 153 CG LYS A 11 6.100 1.597 7.600 1.00 0.00 C ATOM 154 CD LYS A 11 5.901 2.941 8.365 1.00 0.00 C ATOM 155 CE LYS A 11 4.713 3.144 9.408 1.00 0.00 C ATOM 156 NZ LYS A 11 4.346 1.922 10.183 1.00 0.00 N ATOM 0 H LYS A 11 2.912 0.348 5.680 1.00 0.00 H new ATOM 0 HA LYS A 11 4.754 2.287 5.022 1.00 0.00 H new ATOM 0 HB2 LYS A 11 4.008 1.830 7.267 1.00 0.00 H new ATOM 0 HB3 LYS A 11 4.568 0.171 7.200 1.00 0.00 H new ATOM 0 HG2 LYS A 11 6.406 0.816 8.296 1.00 0.00 H new ATOM 0 HG3 LYS A 11 6.900 1.703 6.867 1.00 0.00 H new ATOM 0 HD2 LYS A 11 6.829 3.139 8.901 1.00 0.00 H new ATOM 0 HD3 LYS A 11 5.796 3.721 7.611 1.00 0.00 H new ATOM 0 HE2 LYS A 11 4.993 3.931 10.108 1.00 0.00 H new ATOM 0 HE3 LYS A 11 3.832 3.495 8.870 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 3.513 2.122 10.773 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 4.126 1.147 9.525 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 5.142 1.645 10.792 1.00 0.00 H new ATOM 170 N PRO A 12 6.629 -0.386 5.094 1.00 0.00 N ATOM 171 CA PRO A 12 7.933 -0.905 4.580 1.00 0.00 C ATOM 172 C PRO A 12 8.038 -0.877 3.035 1.00 0.00 C ATOM 173 O PRO A 12 9.104 -0.895 2.437 1.00 0.00 O ATOM 174 CB PRO A 12 7.992 -2.301 5.225 1.00 0.00 C ATOM 175 CG PRO A 12 6.497 -2.661 5.478 1.00 0.00 C ATOM 176 CD PRO A 12 5.974 -1.360 6.020 1.00 0.00 C ATOM 0 HA PRO A 12 8.796 -0.295 4.844 1.00 0.00 H new ATOM 0 HB2 PRO A 12 8.471 -3.025 4.566 1.00 0.00 H new ATOM 0 HB3 PRO A 12 8.562 -2.288 6.154 1.00 0.00 H new ATOM 0 HG2 PRO A 12 5.985 -2.962 4.564 1.00 0.00 H new ATOM 0 HG3 PRO A 12 6.385 -3.479 6.190 1.00 0.00 H new ATOM 0 HD2 PRO A 12 4.886 -1.302 5.978 1.00 0.00 H new ATOM 0 HD3 PRO A 12 6.262 -1.200 7.059 1.00 0.00 H new ATOM 184 N CYS A 13 6.902 -0.810 2.394 1.00 0.00 N ATOM 185 CA CYS A 13 6.949 -0.786 0.919 1.00 0.00 C ATOM 186 C CYS A 13 6.922 0.685 0.485 1.00 0.00 C ATOM 187 O CYS A 13 7.512 0.997 -0.526 1.00 0.00 O ATOM 188 CB CYS A 13 5.768 -1.630 0.418 1.00 0.00 C ATOM 189 SG CYS A 13 6.064 -3.392 0.142 1.00 0.00 S ATOM 0 H CYS A 13 5.975 -0.772 2.818 1.00 0.00 H new ATOM 0 HA CYS A 13 7.852 -1.220 0.489 1.00 0.00 H new ATOM 0 HB2 CYS A 13 4.955 -1.534 1.138 1.00 0.00 H new ATOM 0 HB3 CYS A 13 5.417 -1.196 -0.519 1.00 0.00 H new ATOM 194 N LEU A 14 6.282 1.598 1.173 1.00 0.00 N ATOM 195 CA LEU A 14 6.368 3.007 0.616 1.00 0.00 C ATOM 196 C LEU A 14 7.842 3.334 0.785 1.00 0.00 C ATOM 197 O LEU A 14 8.463 3.759 -0.176 1.00 0.00 O ATOM 198 CB LEU A 14 5.638 4.127 1.399 1.00 0.00 C ATOM 199 CG LEU A 14 5.168 5.181 0.400 1.00 0.00 C ATOM 200 CD1 LEU A 14 3.771 4.736 -0.177 1.00 0.00 C ATOM 201 CD2 LEU A 14 5.071 6.513 1.113 1.00 0.00 C ATOM 0 H LEU A 14 5.742 1.462 2.028 1.00 0.00 H new ATOM 0 HA LEU A 14 5.921 2.997 -0.378 1.00 0.00 H new ATOM 0 HB2 LEU A 14 4.789 3.717 1.946 1.00 0.00 H new ATOM 0 HB3 LEU A 14 6.306 4.573 2.136 1.00 0.00 H new ATOM 0 HG LEU A 14 5.869 5.283 -0.428 1.00 0.00 H new ATOM 0 HD11 LEU A 14 3.420 5.479 -0.893 1.00 0.00 H new ATOM 0 HD12 LEU A 14 3.873 3.772 -0.675 1.00 0.00 H new ATOM 0 HD13 LEU A 14 3.052 4.649 0.637 1.00 0.00 H new ATOM 0 HD21 LEU A 14 4.736 7.277 0.412 1.00 0.00 H new ATOM 0 HD22 LEU A 14 4.358 6.435 1.933 1.00 0.00 H new ATOM 0 HD23 LEU A 14 6.050 6.786 1.508 1.00 0.00 H new ATOM 213 N THR A 15 8.334 3.120 1.998 1.00 0.00 N ATOM 214 CA THR A 15 9.780 3.380 2.337 1.00 0.00 C ATOM 215 C THR A 15 10.491 2.752 1.164 1.00 0.00 C ATOM 216 O THR A 15 11.254 3.399 0.479 1.00 0.00 O ATOM 217 CB THR A 15 10.288 2.656 3.640 1.00 0.00 C ATOM 218 OG1 THR A 15 9.917 1.312 3.448 1.00 0.00 O ATOM 219 CG2 THR A 15 9.555 2.909 4.931 1.00 0.00 C ATOM 0 H THR A 15 7.779 2.769 2.779 1.00 0.00 H new ATOM 0 HA THR A 15 9.947 4.442 2.514 1.00 0.00 H new ATOM 0 HB THR A 15 11.326 2.973 3.743 1.00 0.00 H new ATOM 0 HG1 THR A 15 10.637 0.726 3.762 1.00 0.00 H new ATOM 0 HG21 THR A 15 10.025 2.340 5.734 1.00 0.00 H new ATOM 0 HG22 THR A 15 9.594 3.972 5.169 1.00 0.00 H new ATOM 0 HG23 THR A 15 8.516 2.598 4.826 1.00 0.00 H new ATOM 227 N TYR A 16 10.242 1.487 0.936 1.00 0.00 N ATOM 228 CA TYR A 16 10.906 0.818 -0.220 1.00 0.00 C ATOM 229 C TYR A 16 10.801 1.618 -1.553 1.00 0.00 C ATOM 230 O TYR A 16 11.804 2.090 -2.056 1.00 0.00 O ATOM 231 CB TYR A 16 10.267 -0.562 -0.379 1.00 0.00 C ATOM 232 CG TYR A 16 10.693 -1.311 -1.645 1.00 0.00 C ATOM 233 CD1 TYR A 16 11.938 -1.188 -2.235 1.00 0.00 C ATOM 234 CD2 TYR A 16 9.761 -2.145 -2.214 1.00 0.00 C ATOM 235 CE1 TYR A 16 12.225 -1.901 -3.389 1.00 0.00 C ATOM 236 CE2 TYR A 16 10.059 -2.850 -3.362 1.00 0.00 C ATOM 237 CZ TYR A 16 11.278 -2.731 -3.949 1.00 0.00 C ATOM 238 OH TYR A 16 11.482 -3.454 -5.103 1.00 0.00 O ATOM 0 H TYR A 16 9.619 0.899 1.490 1.00 0.00 H new ATOM 0 HA TYR A 16 11.973 0.750 -0.008 1.00 0.00 H new ATOM 0 HB2 TYR A 16 10.519 -1.169 0.491 1.00 0.00 H new ATOM 0 HB3 TYR A 16 9.183 -0.449 -0.385 1.00 0.00 H new ATOM 0 HD1 TYR A 16 12.683 -0.539 -1.799 1.00 0.00 H new ATOM 0 HD2 TYR A 16 8.787 -2.250 -1.759 1.00 0.00 H new ATOM 0 HE1 TYR A 16 13.196 -1.805 -3.852 1.00 0.00 H new ATOM 0 HE2 TYR A 16 9.316 -3.502 -3.798 1.00 0.00 H new ATOM 0 HH TYR A 16 10.983 -3.043 -5.839 1.00 0.00 H new ATOM 248 N VAL A 17 9.620 1.769 -2.115 1.00 0.00 N ATOM 249 CA VAL A 17 9.486 2.525 -3.415 1.00 0.00 C ATOM 250 C VAL A 17 10.198 3.844 -3.424 1.00 0.00 C ATOM 251 O VAL A 17 10.839 4.127 -4.410 1.00 0.00 O ATOM 252 CB VAL A 17 7.981 2.769 -3.823 1.00 0.00 C ATOM 253 CG1 VAL A 17 7.194 1.485 -3.627 1.00 0.00 C ATOM 254 CG2 VAL A 17 7.259 3.944 -3.203 1.00 0.00 C ATOM 0 H VAL A 17 8.746 1.405 -1.735 1.00 0.00 H new ATOM 0 HA VAL A 17 9.963 1.871 -4.145 1.00 0.00 H new ATOM 0 HB VAL A 17 8.036 3.062 -4.871 1.00 0.00 H new ATOM 0 HG11 VAL A 17 6.154 1.649 -3.908 1.00 0.00 H new ATOM 0 HG12 VAL A 17 7.619 0.699 -4.252 1.00 0.00 H new ATOM 0 HG13 VAL A 17 7.244 1.184 -2.581 1.00 0.00 H new ATOM 0 HG21 VAL A 17 6.236 3.982 -3.579 1.00 0.00 H new ATOM 0 HG22 VAL A 17 7.243 3.831 -2.119 1.00 0.00 H new ATOM 0 HG23 VAL A 17 7.776 4.867 -3.464 1.00 0.00 H new ATOM 264 N GLN A 18 10.117 4.647 -2.406 1.00 0.00 N ATOM 265 CA GLN A 18 10.867 5.937 -2.501 1.00 0.00 C ATOM 266 C GLN A 18 12.366 5.694 -2.344 1.00 0.00 C ATOM 267 O GLN A 18 13.157 6.334 -3.007 1.00 0.00 O ATOM 268 CB GLN A 18 10.351 6.941 -1.418 1.00 0.00 C ATOM 269 CG GLN A 18 10.091 6.254 -0.070 1.00 0.00 C ATOM 270 CD GLN A 18 9.859 7.248 1.035 1.00 0.00 C ATOM 271 OE1 GLN A 18 10.642 8.132 1.308 1.00 0.00 O ATOM 272 NE2 GLN A 18 8.772 7.138 1.710 1.00 0.00 N ATOM 0 H GLN A 18 9.592 4.485 -1.547 1.00 0.00 H new ATOM 0 HA GLN A 18 10.695 6.373 -3.485 1.00 0.00 H new ATOM 0 HB2 GLN A 18 11.084 7.736 -1.283 1.00 0.00 H new ATOM 0 HB3 GLN A 18 9.432 7.410 -1.768 1.00 0.00 H new ATOM 0 HG2 GLN A 18 9.223 5.601 -0.158 1.00 0.00 H new ATOM 0 HG3 GLN A 18 10.942 5.621 0.184 1.00 0.00 H new ATOM 0 HE21 GLN A 18 8.107 6.397 1.488 1.00 0.00 H new ATOM 0 HE22 GLN A 18 8.574 7.791 2.468 1.00 0.00 H new ATOM 281 N GLY A 19 12.719 4.783 -1.483 1.00 0.00 N ATOM 282 CA GLY A 19 14.180 4.455 -1.244 1.00 0.00 C ATOM 283 C GLY A 19 14.649 4.637 0.197 1.00 0.00 C ATOM 284 O GLY A 19 15.713 5.152 0.468 1.00 0.00 O ATOM 0 H GLY A 19 12.063 4.239 -0.922 1.00 0.00 H new ATOM 0 HA2 GLY A 19 14.359 3.422 -1.542 1.00 0.00 H new ATOM 0 HA3 GLY A 19 14.790 5.084 -1.892 1.00 0.00 H new ATOM 288 N GLY A 20 13.814 4.185 1.076 1.00 0.00 N ATOM 289 CA GLY A 20 14.050 4.247 2.556 1.00 0.00 C ATOM 290 C GLY A 20 14.112 2.823 3.138 1.00 0.00 C ATOM 291 O GLY A 20 14.062 1.852 2.406 1.00 0.00 O ATOM 0 H GLY A 20 12.926 3.750 0.825 1.00 0.00 H new ATOM 0 HA2 GLY A 20 14.981 4.774 2.763 1.00 0.00 H new ATOM 0 HA3 GLY A 20 13.251 4.811 3.037 1.00 0.00 H new ATOM 295 N PRO A 21 14.225 2.709 4.444 1.00 0.00 N ATOM 296 CA PRO A 21 14.255 1.384 5.154 1.00 0.00 C ATOM 297 C PRO A 21 13.276 0.283 4.634 1.00 0.00 C ATOM 298 O PRO A 21 12.074 0.397 4.769 1.00 0.00 O ATOM 299 CB PRO A 21 14.018 1.783 6.621 1.00 0.00 C ATOM 300 CG PRO A 21 14.748 3.145 6.707 1.00 0.00 C ATOM 301 CD PRO A 21 14.336 3.855 5.398 1.00 0.00 C ATOM 0 HA PRO A 21 15.200 0.870 4.979 1.00 0.00 H new ATOM 0 HB2 PRO A 21 12.957 1.874 6.853 1.00 0.00 H new ATOM 0 HB3 PRO A 21 14.434 1.053 7.315 1.00 0.00 H new ATOM 0 HG2 PRO A 21 14.440 3.711 7.586 1.00 0.00 H new ATOM 0 HG3 PRO A 21 15.829 3.018 6.773 1.00 0.00 H new ATOM 0 HD2 PRO A 21 13.393 4.390 5.504 1.00 0.00 H new ATOM 0 HD3 PRO A 21 15.081 4.583 5.077 1.00 0.00 H new ATOM 309 N GLY A 22 13.824 -0.755 4.049 1.00 0.00 N ATOM 310 CA GLY A 22 12.983 -1.892 3.501 1.00 0.00 C ATOM 311 C GLY A 22 13.552 -2.409 2.175 1.00 0.00 C ATOM 312 O GLY A 22 14.551 -1.884 1.737 1.00 0.00 O ATOM 0 H GLY A 22 14.829 -0.873 3.922 1.00 0.00 H new ATOM 0 HA2 GLY A 22 12.947 -2.705 4.227 1.00 0.00 H new ATOM 0 HA3 GLY A 22 11.958 -1.552 3.353 1.00 0.00 H new ATOM 316 N PRO A 23 12.955 -3.404 1.546 1.00 0.00 N ATOM 317 CA PRO A 23 11.612 -3.992 1.853 1.00 0.00 C ATOM 318 C PRO A 23 11.604 -4.865 3.128 1.00 0.00 C ATOM 319 O PRO A 23 10.571 -5.151 3.699 1.00 0.00 O ATOM 320 CB PRO A 23 11.262 -4.787 0.567 1.00 0.00 C ATOM 321 CG PRO A 23 12.333 -4.354 -0.469 1.00 0.00 C ATOM 322 CD PRO A 23 13.572 -4.081 0.370 1.00 0.00 C ATOM 0 HA PRO A 23 10.870 -3.229 2.086 1.00 0.00 H new ATOM 0 HB2 PRO A 23 11.295 -5.862 0.745 1.00 0.00 H new ATOM 0 HB3 PRO A 23 10.256 -4.553 0.218 1.00 0.00 H new ATOM 0 HG2 PRO A 23 12.515 -5.137 -1.205 1.00 0.00 H new ATOM 0 HG3 PRO A 23 12.020 -3.466 -1.018 1.00 0.00 H new ATOM 0 HD2 PRO A 23 14.097 -4.996 0.646 1.00 0.00 H new ATOM 0 HD3 PRO A 23 14.291 -3.444 -0.146 1.00 0.00 H new ATOM 330 N SER A 24 12.785 -5.259 3.528 1.00 0.00 N ATOM 331 CA SER A 24 13.012 -6.124 4.748 1.00 0.00 C ATOM 332 C SER A 24 11.939 -7.182 5.099 1.00 0.00 C ATOM 333 O SER A 24 11.675 -7.443 6.254 1.00 0.00 O ATOM 334 CB SER A 24 13.194 -5.185 5.946 1.00 0.00 C ATOM 335 OG SER A 24 14.419 -4.523 5.643 1.00 0.00 O ATOM 0 H SER A 24 13.646 -5.009 3.042 1.00 0.00 H new ATOM 0 HA SER A 24 13.886 -6.728 4.505 1.00 0.00 H new ATOM 0 HB2 SER A 24 12.366 -4.482 6.039 1.00 0.00 H new ATOM 0 HB3 SER A 24 13.252 -5.734 6.886 1.00 0.00 H new ATOM 0 HG SER A 24 14.632 -3.887 6.357 1.00 0.00 H new ATOM 341 N GLY A 25 11.322 -7.786 4.118 1.00 0.00 N ATOM 342 CA GLY A 25 10.271 -8.830 4.418 1.00 0.00 C ATOM 343 C GLY A 25 8.948 -8.152 4.750 1.00 0.00 C ATOM 344 O GLY A 25 7.957 -8.393 4.082 1.00 0.00 O ATOM 0 H GLY A 25 11.491 -7.611 3.127 1.00 0.00 H new ATOM 0 HA2 GLY A 25 10.146 -9.490 3.560 1.00 0.00 H new ATOM 0 HA3 GLY A 25 10.591 -9.451 5.254 1.00 0.00 H new ATOM 348 N GLU A 26 9.004 -7.347 5.789 1.00 0.00 N ATOM 349 CA GLU A 26 7.818 -6.574 6.278 1.00 0.00 C ATOM 350 C GLU A 26 7.050 -5.990 5.074 1.00 0.00 C ATOM 351 O GLU A 26 5.835 -6.088 5.015 1.00 0.00 O ATOM 352 CB GLU A 26 8.372 -5.486 7.321 1.00 0.00 C ATOM 353 CG GLU A 26 9.714 -4.736 6.937 1.00 0.00 C ATOM 354 CD GLU A 26 10.339 -3.959 8.137 1.00 0.00 C ATOM 355 OE1 GLU A 26 9.606 -3.294 8.855 1.00 0.00 O ATOM 356 OE2 GLU A 26 11.550 -4.073 8.267 1.00 0.00 O ATOM 0 H GLU A 26 9.852 -7.191 6.334 1.00 0.00 H new ATOM 0 HA GLU A 26 7.087 -7.191 6.801 1.00 0.00 H new ATOM 0 HB2 GLU A 26 7.596 -4.735 7.471 1.00 0.00 H new ATOM 0 HB3 GLU A 26 8.524 -5.983 8.279 1.00 0.00 H new ATOM 0 HG2 GLU A 26 10.437 -5.462 6.565 1.00 0.00 H new ATOM 0 HG3 GLU A 26 9.515 -4.039 6.123 1.00 0.00 H new ATOM 363 N CYS A 27 7.784 -5.409 4.148 1.00 0.00 N ATOM 364 CA CYS A 27 7.156 -4.816 2.921 1.00 0.00 C ATOM 365 C CYS A 27 6.316 -5.900 2.253 1.00 0.00 C ATOM 366 O CYS A 27 5.125 -5.724 2.129 1.00 0.00 O ATOM 367 CB CYS A 27 8.302 -4.315 2.030 1.00 0.00 C ATOM 368 SG CYS A 27 8.045 -3.698 0.347 1.00 0.00 S ATOM 0 H CYS A 27 8.799 -5.321 4.192 1.00 0.00 H new ATOM 0 HA CYS A 27 6.495 -3.977 3.137 1.00 0.00 H new ATOM 0 HB2 CYS A 27 8.795 -3.514 2.581 1.00 0.00 H new ATOM 0 HB3 CYS A 27 9.016 -5.135 1.953 1.00 0.00 H new ATOM 373 N CYS A 28 6.944 -6.970 1.873 1.00 0.00 N ATOM 374 CA CYS A 28 6.236 -8.094 1.210 1.00 0.00 C ATOM 375 C CYS A 28 5.093 -8.739 1.994 1.00 0.00 C ATOM 376 O CYS A 28 3.987 -8.846 1.496 1.00 0.00 O ATOM 377 CB CYS A 28 7.308 -9.130 0.859 1.00 0.00 C ATOM 378 SG CYS A 28 8.471 -8.632 -0.431 1.00 0.00 S ATOM 0 H CYS A 28 7.946 -7.117 1.997 1.00 0.00 H new ATOM 0 HA CYS A 28 5.724 -7.687 0.338 1.00 0.00 H new ATOM 0 HB2 CYS A 28 7.871 -9.365 1.762 1.00 0.00 H new ATOM 0 HB3 CYS A 28 6.813 -10.048 0.544 1.00 0.00 H new ATOM 383 N ASN A 29 5.364 -9.135 3.208 1.00 0.00 N ATOM 384 CA ASN A 29 4.257 -9.778 3.970 1.00 0.00 C ATOM 385 C ASN A 29 3.194 -8.705 4.172 1.00 0.00 C ATOM 386 O ASN A 29 2.038 -8.980 3.943 1.00 0.00 O ATOM 387 CB ASN A 29 4.832 -10.352 5.320 1.00 0.00 C ATOM 388 CG ASN A 29 4.866 -9.362 6.452 1.00 0.00 C ATOM 389 OD1 ASN A 29 5.906 -8.987 6.939 1.00 0.00 O ATOM 390 ND2 ASN A 29 3.720 -8.933 6.889 1.00 0.00 N ATOM 0 H ASN A 29 6.260 -9.048 3.688 1.00 0.00 H new ATOM 0 HA ASN A 29 3.808 -10.622 3.447 1.00 0.00 H new ATOM 0 HB2 ASN A 29 4.230 -11.210 5.621 1.00 0.00 H new ATOM 0 HB3 ASN A 29 5.843 -10.718 5.143 1.00 0.00 H new ATOM 0 HD21 ASN A 29 3.685 -8.265 7.659 1.00 0.00 H new ATOM 0 HD22 ASN A 29 2.855 -9.264 6.462 1.00 0.00 H new ATOM 397 N GLY A 30 3.595 -7.521 4.562 1.00 0.00 N ATOM 398 CA GLY A 30 2.609 -6.434 4.776 1.00 0.00 C ATOM 399 C GLY A 30 1.743 -6.376 3.519 1.00 0.00 C ATOM 400 O GLY A 30 0.548 -6.551 3.583 1.00 0.00 O ATOM 0 H GLY A 30 4.566 -7.266 4.740 1.00 0.00 H new ATOM 0 HA2 GLY A 30 1.999 -6.632 5.658 1.00 0.00 H new ATOM 0 HA3 GLY A 30 3.112 -5.482 4.944 1.00 0.00 H new ATOM 404 N VAL A 31 2.396 -6.132 2.425 1.00 0.00 N ATOM 405 CA VAL A 31 1.742 -6.048 1.088 1.00 0.00 C ATOM 406 C VAL A 31 0.768 -7.206 0.839 1.00 0.00 C ATOM 407 O VAL A 31 -0.396 -7.025 0.539 1.00 0.00 O ATOM 408 CB VAL A 31 2.889 -6.032 0.078 1.00 0.00 C ATOM 409 CG1 VAL A 31 2.445 -6.471 -1.285 1.00 0.00 C ATOM 410 CG2 VAL A 31 3.385 -4.647 -0.081 1.00 0.00 C ATOM 0 H VAL A 31 3.404 -5.980 2.399 1.00 0.00 H new ATOM 0 HA VAL A 31 1.124 -5.154 1.006 1.00 0.00 H new ATOM 0 HB VAL A 31 3.652 -6.711 0.460 1.00 0.00 H new ATOM 0 HG11 VAL A 31 3.292 -6.444 -1.970 1.00 0.00 H new ATOM 0 HG12 VAL A 31 2.055 -7.487 -1.231 1.00 0.00 H new ATOM 0 HG13 VAL A 31 1.665 -5.801 -1.647 1.00 0.00 H new ATOM 0 HG21 VAL A 31 4.203 -4.634 -0.801 1.00 0.00 H new ATOM 0 HG22 VAL A 31 2.576 -4.010 -0.439 1.00 0.00 H new ATOM 0 HG23 VAL A 31 3.741 -4.276 0.880 1.00 0.00 H new ATOM 420 N ARG A 32 1.315 -8.388 0.965 1.00 0.00 N ATOM 421 CA ARG A 32 0.572 -9.663 0.770 1.00 0.00 C ATOM 422 C ARG A 32 -0.688 -9.667 1.625 1.00 0.00 C ATOM 423 O ARG A 32 -1.812 -9.711 1.148 1.00 0.00 O ATOM 424 CB ARG A 32 1.525 -10.821 1.164 1.00 0.00 C ATOM 425 CG ARG A 32 1.120 -12.162 0.479 1.00 0.00 C ATOM 426 CD ARG A 32 -0.384 -12.470 0.592 1.00 0.00 C ATOM 427 NE ARG A 32 -0.705 -12.621 2.047 1.00 0.00 N ATOM 428 CZ ARG A 32 -1.759 -13.174 2.511 1.00 0.00 C ATOM 429 NH1 ARG A 32 -2.660 -13.677 1.762 1.00 0.00 N ATOM 430 NH2 ARG A 32 -1.853 -13.179 3.779 1.00 0.00 N ATOM 0 H ARG A 32 2.297 -8.522 1.208 1.00 0.00 H new ATOM 0 HA ARG A 32 0.258 -9.780 -0.267 1.00 0.00 H new ATOM 0 HB2 ARG A 32 2.546 -10.563 0.883 1.00 0.00 H new ATOM 0 HB3 ARG A 32 1.515 -10.948 2.247 1.00 0.00 H new ATOM 0 HG2 ARG A 32 1.398 -12.123 -0.574 1.00 0.00 H new ATOM 0 HG3 ARG A 32 1.686 -12.978 0.928 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -0.974 -11.667 0.151 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -0.630 -13.382 0.048 1.00 0.00 H new ATOM 0 HE ARG A 32 -0.031 -12.254 2.719 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -2.555 -13.648 0.748 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -3.486 -14.109 2.177 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -1.116 -12.760 4.347 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -2.665 -13.602 4.229 1.00 0.00 H new ATOM 444 N ASP A 33 -0.449 -9.614 2.897 1.00 0.00 N ATOM 445 CA ASP A 33 -1.560 -9.613 3.860 1.00 0.00 C ATOM 446 C ASP A 33 -2.495 -8.500 3.375 1.00 0.00 C ATOM 447 O ASP A 33 -3.633 -8.790 3.126 1.00 0.00 O ATOM 448 CB ASP A 33 -0.824 -9.445 5.214 1.00 0.00 C ATOM 449 CG ASP A 33 0.280 -10.534 5.344 1.00 0.00 C ATOM 450 OD1 ASP A 33 0.209 -11.512 4.595 1.00 0.00 O ATOM 451 OD2 ASP A 33 1.128 -10.316 6.192 1.00 0.00 O ATOM 0 H ASP A 33 0.482 -9.571 3.311 1.00 0.00 H new ATOM 0 HA ASP A 33 -2.208 -10.484 3.962 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -0.379 -8.452 5.277 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -1.532 -9.530 6.038 1.00 0.00 H new ATOM 456 N LEU A 34 -2.041 -7.286 3.228 1.00 0.00 N ATOM 457 CA LEU A 34 -2.892 -6.144 2.748 1.00 0.00 C ATOM 458 C LEU A 34 -3.766 -6.610 1.577 1.00 0.00 C ATOM 459 O LEU A 34 -4.966 -6.440 1.652 1.00 0.00 O ATOM 460 CB LEU A 34 -1.964 -4.980 2.309 1.00 0.00 C ATOM 461 CG LEU A 34 -2.135 -3.612 3.066 1.00 0.00 C ATOM 462 CD1 LEU A 34 -2.800 -2.565 2.202 1.00 0.00 C ATOM 463 CD2 LEU A 34 -3.024 -3.653 4.293 1.00 0.00 C ATOM 0 H LEU A 34 -1.076 -7.023 3.428 1.00 0.00 H new ATOM 0 HA LEU A 34 -3.546 -5.799 3.548 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -0.931 -5.307 2.427 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -2.123 -4.802 1.245 1.00 0.00 H new ATOM 0 HG LEU A 34 -1.105 -3.383 3.339 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -2.898 -1.637 2.765 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -2.194 -2.388 1.313 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -3.789 -2.914 1.903 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -3.074 -2.660 4.739 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -4.026 -3.973 4.006 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -2.612 -4.356 5.017 1.00 0.00 H new ATOM 475 N HIS A 35 -3.164 -7.162 0.542 1.00 0.00 N ATOM 476 CA HIS A 35 -3.975 -7.644 -0.625 1.00 0.00 C ATOM 477 C HIS A 35 -5.104 -8.554 -0.087 1.00 0.00 C ATOM 478 O HIS A 35 -6.212 -8.520 -0.574 1.00 0.00 O ATOM 479 CB HIS A 35 -3.004 -8.398 -1.594 1.00 0.00 C ATOM 480 CG HIS A 35 -3.693 -8.765 -2.925 1.00 0.00 C ATOM 481 ND1 HIS A 35 -3.117 -9.351 -3.926 1.00 0.00 N ATOM 482 CD2 HIS A 35 -4.994 -8.576 -3.366 1.00 0.00 C ATOM 483 CE1 HIS A 35 -3.966 -9.514 -4.895 1.00 0.00 C ATOM 484 NE2 HIS A 35 -5.145 -9.046 -4.585 1.00 0.00 N ATOM 0 H HIS A 35 -2.157 -7.297 0.457 1.00 0.00 H new ATOM 0 HA HIS A 35 -4.444 -6.829 -1.176 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -2.134 -7.773 -1.795 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -2.640 -9.305 -1.111 1.00 0.00 H new ATOM 0 HD1 HIS A 35 -2.140 -9.642 -3.950 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -5.776 -8.107 -2.788 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -3.727 -9.979 -5.840 1.00 0.00 H new ATOM 492 N ASN A 36 -4.800 -9.334 0.919 1.00 0.00 N ATOM 493 CA ASN A 36 -5.791 -10.276 1.551 1.00 0.00 C ATOM 494 C ASN A 36 -6.457 -9.726 2.858 1.00 0.00 C ATOM 495 O ASN A 36 -7.189 -10.431 3.521 1.00 0.00 O ATOM 496 CB ASN A 36 -4.954 -11.572 1.757 1.00 0.00 C ATOM 497 CG ASN A 36 -5.707 -12.792 2.272 1.00 0.00 C ATOM 498 OD1 ASN A 36 -5.099 -13.679 2.836 1.00 0.00 O ATOM 499 ND2 ASN A 36 -6.979 -12.917 2.112 1.00 0.00 N ATOM 0 H ASN A 36 -3.875 -9.361 1.347 1.00 0.00 H new ATOM 0 HA ASN A 36 -6.670 -10.440 0.927 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -4.490 -11.834 0.806 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -4.147 -11.350 2.455 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -7.457 -13.750 2.456 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -7.508 -12.183 1.641 1.00 0.00 H new ATOM 506 N GLN A 37 -6.173 -8.491 3.183 1.00 0.00 N ATOM 507 CA GLN A 37 -6.722 -7.787 4.404 1.00 0.00 C ATOM 508 C GLN A 37 -7.684 -6.640 4.056 1.00 0.00 C ATOM 509 O GLN A 37 -8.768 -6.472 4.580 1.00 0.00 O ATOM 510 CB GLN A 37 -5.612 -7.114 5.236 1.00 0.00 C ATOM 511 CG GLN A 37 -4.542 -8.070 5.768 1.00 0.00 C ATOM 512 CD GLN A 37 -4.887 -8.595 7.141 1.00 0.00 C ATOM 513 OE1 GLN A 37 -5.209 -7.895 8.074 1.00 0.00 O ATOM 514 NE2 GLN A 37 -4.812 -9.870 7.279 1.00 0.00 N ATOM 0 H GLN A 37 -5.551 -7.905 2.627 1.00 0.00 H new ATOM 0 HA GLN A 37 -7.228 -8.582 4.951 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -5.128 -6.354 4.623 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -6.071 -6.599 6.080 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -4.427 -8.906 5.078 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -3.582 -7.555 5.807 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -4.540 -10.453 6.488 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -5.025 -10.299 8.180 1.00 0.00 H new ATOM 523 N ALA A 38 -7.205 -5.873 3.124 1.00 0.00 N ATOM 524 CA ALA A 38 -7.901 -4.676 2.596 1.00 0.00 C ATOM 525 C ALA A 38 -9.015 -5.055 1.590 1.00 0.00 C ATOM 526 O ALA A 38 -9.269 -4.373 0.612 1.00 0.00 O ATOM 527 CB ALA A 38 -6.728 -3.819 2.003 1.00 0.00 C ATOM 0 H ALA A 38 -6.302 -6.042 2.682 1.00 0.00 H new ATOM 0 HA ALA A 38 -8.456 -4.111 3.345 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -7.128 -2.898 1.579 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -6.019 -3.576 2.794 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -6.221 -4.387 1.223 1.00 0.00 H new ATOM 533 N GLN A 39 -9.654 -6.153 1.906 1.00 0.00 N ATOM 534 CA GLN A 39 -10.776 -6.722 1.092 1.00 0.00 C ATOM 535 C GLN A 39 -12.045 -6.794 1.980 1.00 0.00 C ATOM 536 O GLN A 39 -12.745 -7.791 2.018 1.00 0.00 O ATOM 537 CB GLN A 39 -10.372 -8.131 0.619 1.00 0.00 C ATOM 538 CG GLN A 39 -9.067 -8.106 -0.205 1.00 0.00 C ATOM 539 CD GLN A 39 -8.778 -9.513 -0.716 1.00 0.00 C ATOM 540 OE1 GLN A 39 -8.642 -10.459 0.032 1.00 0.00 O ATOM 541 NE2 GLN A 39 -8.673 -9.716 -1.991 1.00 0.00 N ATOM 0 H GLN A 39 -9.433 -6.705 2.735 1.00 0.00 H new ATOM 0 HA GLN A 39 -10.983 -6.097 0.223 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -10.244 -8.782 1.484 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -11.175 -8.556 0.016 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -9.163 -7.414 -1.041 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -8.240 -7.751 0.410 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -8.783 -8.938 -2.642 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -8.480 -10.653 -2.344 1.00 0.00 H new ATOM 550 N SER A 40 -12.302 -5.714 2.677 1.00 0.00 N ATOM 551 CA SER A 40 -13.510 -5.647 3.587 1.00 0.00 C ATOM 552 C SER A 40 -14.485 -4.578 3.063 1.00 0.00 C ATOM 553 O SER A 40 -15.657 -4.813 2.840 1.00 0.00 O ATOM 554 CB SER A 40 -13.022 -5.302 5.018 1.00 0.00 C ATOM 555 OG SER A 40 -14.175 -5.519 5.826 1.00 0.00 O ATOM 0 H SER A 40 -11.731 -4.869 2.661 1.00 0.00 H new ATOM 0 HA SER A 40 -14.034 -6.602 3.608 1.00 0.00 H new ATOM 0 HB2 SER A 40 -12.192 -5.940 5.323 1.00 0.00 H new ATOM 0 HB3 SER A 40 -12.673 -4.271 5.085 1.00 0.00 H new ATOM 0 HG SER A 40 -13.960 -5.325 6.762 1.00 0.00 H new ATOM 561 N SER A 41 -13.937 -3.408 2.875 1.00 0.00 N ATOM 562 CA SER A 41 -14.715 -2.236 2.364 1.00 0.00 C ATOM 563 C SER A 41 -14.005 -1.762 1.073 1.00 0.00 C ATOM 564 O SER A 41 -14.006 -2.499 0.100 1.00 0.00 O ATOM 565 CB SER A 41 -14.726 -1.156 3.498 1.00 0.00 C ATOM 566 OG SER A 41 -13.385 -0.697 3.678 1.00 0.00 O ATOM 0 H SER A 41 -12.954 -3.208 3.059 1.00 0.00 H new ATOM 0 HA SER A 41 -15.752 -2.463 2.117 1.00 0.00 H new ATOM 0 HB2 SER A 41 -15.381 -0.327 3.229 1.00 0.00 H new ATOM 0 HB3 SER A 41 -15.112 -1.580 4.425 1.00 0.00 H new ATOM 0 HG SER A 41 -12.759 -1.403 3.412 1.00 0.00 H new ATOM 572 N GLY A 42 -13.424 -0.590 1.095 1.00 0.00 N ATOM 573 CA GLY A 42 -12.700 -0.035 -0.107 1.00 0.00 C ATOM 574 C GLY A 42 -11.210 0.122 0.209 1.00 0.00 C ATOM 575 O GLY A 42 -10.479 0.763 -0.515 1.00 0.00 O ATOM 0 H GLY A 42 -13.417 0.024 1.909 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -12.832 -0.700 -0.961 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -13.125 0.929 -0.385 1.00 0.00 H new ATOM 579 N ASP A 43 -10.806 -0.465 1.300 1.00 0.00 N ATOM 580 CA ASP A 43 -9.388 -0.438 1.790 1.00 0.00 C ATOM 581 C ASP A 43 -8.293 -0.199 0.723 1.00 0.00 C ATOM 582 O ASP A 43 -7.630 0.817 0.758 1.00 0.00 O ATOM 583 CB ASP A 43 -9.174 -1.744 2.492 1.00 0.00 C ATOM 584 CG ASP A 43 -10.272 -1.966 3.509 1.00 0.00 C ATOM 585 OD1 ASP A 43 -10.070 -1.499 4.608 1.00 0.00 O ATOM 586 OD2 ASP A 43 -11.253 -2.581 3.109 1.00 0.00 O ATOM 0 H ASP A 43 -11.433 -0.992 1.908 1.00 0.00 H new ATOM 0 HA ASP A 43 -9.276 0.432 2.437 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -9.166 -2.559 1.768 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -8.202 -1.747 2.986 1.00 0.00 H new ATOM 591 N ARG A 44 -8.085 -1.096 -0.208 1.00 0.00 N ATOM 592 CA ARG A 44 -7.025 -0.818 -1.222 1.00 0.00 C ATOM 593 C ARG A 44 -7.351 0.574 -1.879 1.00 0.00 C ATOM 594 O ARG A 44 -6.480 1.412 -1.960 1.00 0.00 O ATOM 595 CB ARG A 44 -7.014 -1.945 -2.268 1.00 0.00 C ATOM 596 CG ARG A 44 -8.089 -3.058 -2.124 1.00 0.00 C ATOM 597 CD ARG A 44 -9.502 -2.482 -2.377 1.00 0.00 C ATOM 598 NE ARG A 44 -10.451 -3.633 -2.309 1.00 0.00 N ATOM 599 CZ ARG A 44 -11.543 -3.599 -1.658 1.00 0.00 C ATOM 600 NH1 ARG A 44 -11.582 -3.496 -0.396 1.00 0.00 N ATOM 601 NH2 ARG A 44 -12.583 -3.678 -2.370 1.00 0.00 N ATOM 0 H ARG A 44 -8.584 -1.980 -0.309 1.00 0.00 H new ATOM 0 HA ARG A 44 -6.035 -0.781 -0.767 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -7.126 -1.493 -3.253 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -6.032 -2.418 -2.244 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -7.886 -3.862 -2.831 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -8.040 -3.492 -1.125 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -9.753 -1.729 -1.630 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -9.553 -1.995 -3.351 1.00 0.00 H new ATOM 0 HE ARG A 44 -10.212 -4.489 -2.809 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -10.715 -3.437 0.138 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -12.480 -3.472 0.086 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -12.502 -3.761 -3.383 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -13.504 -3.659 -1.932 1.00 0.00 H new ATOM 615 N GLN A 45 -8.549 0.864 -2.352 1.00 0.00 N ATOM 616 CA GLN A 45 -8.801 2.221 -2.948 1.00 0.00 C ATOM 617 C GLN A 45 -8.474 3.294 -1.841 1.00 0.00 C ATOM 618 O GLN A 45 -7.913 4.335 -2.132 1.00 0.00 O ATOM 619 CB GLN A 45 -10.284 2.193 -3.423 1.00 0.00 C ATOM 620 CG GLN A 45 -10.459 1.002 -4.450 1.00 0.00 C ATOM 621 CD GLN A 45 -11.881 0.957 -4.994 1.00 0.00 C ATOM 622 OE1 GLN A 45 -12.864 0.790 -4.301 1.00 0.00 O ATOM 623 NE2 GLN A 45 -12.016 1.105 -6.256 1.00 0.00 N ATOM 0 H GLN A 45 -9.349 0.231 -2.351 1.00 0.00 H new ATOM 0 HA GLN A 45 -8.178 2.480 -3.804 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -10.952 2.061 -2.572 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -10.550 3.140 -3.892 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -9.754 1.120 -5.273 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -10.223 0.057 -3.961 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -11.194 1.246 -6.844 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -12.945 1.082 -6.676 1.00 0.00 H new ATOM 632 N THR A 46 -8.836 3.040 -0.601 1.00 0.00 N ATOM 633 CA THR A 46 -8.534 4.016 0.531 1.00 0.00 C ATOM 634 C THR A 46 -7.014 4.287 0.440 1.00 0.00 C ATOM 635 O THR A 46 -6.532 5.404 0.467 1.00 0.00 O ATOM 636 CB THR A 46 -8.834 3.398 1.952 1.00 0.00 C ATOM 637 OG1 THR A 46 -10.239 3.443 2.174 1.00 0.00 O ATOM 638 CG2 THR A 46 -8.297 4.291 3.069 1.00 0.00 C ATOM 0 H THR A 46 -9.331 2.196 -0.312 1.00 0.00 H new ATOM 0 HA THR A 46 -9.153 4.907 0.428 1.00 0.00 H new ATOM 0 HB THR A 46 -8.393 2.401 1.965 1.00 0.00 H new ATOM 0 HG1 THR A 46 -10.444 3.061 3.053 1.00 0.00 H new ATOM 0 HG21 THR A 46 -8.519 3.838 4.035 1.00 0.00 H new ATOM 0 HG22 THR A 46 -7.218 4.402 2.960 1.00 0.00 H new ATOM 0 HG23 THR A 46 -8.770 5.271 3.010 1.00 0.00 H new ATOM 646 N VAL A 47 -6.302 3.197 0.335 1.00 0.00 N ATOM 647 CA VAL A 47 -4.817 3.247 0.228 1.00 0.00 C ATOM 648 C VAL A 47 -4.493 4.118 -0.997 1.00 0.00 C ATOM 649 O VAL A 47 -3.797 5.090 -0.860 1.00 0.00 O ATOM 650 CB VAL A 47 -4.263 1.804 0.042 1.00 0.00 C ATOM 651 CG1 VAL A 47 -3.331 1.600 -1.170 1.00 0.00 C ATOM 652 CG2 VAL A 47 -3.608 1.366 1.291 1.00 0.00 C ATOM 0 H VAL A 47 -6.696 2.256 0.319 1.00 0.00 H new ATOM 0 HA VAL A 47 -4.360 3.665 1.125 1.00 0.00 H new ATOM 0 HB VAL A 47 -5.129 1.181 -0.183 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -3.003 0.561 -1.206 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -3.868 1.843 -2.087 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -2.463 2.252 -1.075 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -3.219 0.356 1.163 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -2.787 2.043 1.528 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -4.333 1.375 2.105 1.00 0.00 H new ATOM 662 N CYS A 48 -4.997 3.744 -2.146 1.00 0.00 N ATOM 663 CA CYS A 48 -4.766 4.507 -3.426 1.00 0.00 C ATOM 664 C CYS A 48 -4.805 6.012 -3.171 1.00 0.00 C ATOM 665 O CYS A 48 -3.965 6.789 -3.580 1.00 0.00 O ATOM 666 CB CYS A 48 -5.844 4.104 -4.421 1.00 0.00 C ATOM 667 SG CYS A 48 -6.041 5.097 -5.916 1.00 0.00 S ATOM 0 H CYS A 48 -5.579 2.914 -2.260 1.00 0.00 H new ATOM 0 HA CYS A 48 -3.781 4.269 -3.828 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -5.647 3.077 -4.727 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -6.799 4.102 -3.895 1.00 0.00 H new ATOM 672 N ASN A 49 -5.843 6.354 -2.462 1.00 0.00 N ATOM 673 CA ASN A 49 -6.110 7.761 -2.057 1.00 0.00 C ATOM 674 C ASN A 49 -4.982 8.237 -1.117 1.00 0.00 C ATOM 675 O ASN A 49 -4.542 9.362 -1.277 1.00 0.00 O ATOM 676 CB ASN A 49 -7.487 7.801 -1.369 1.00 0.00 C ATOM 677 CG ASN A 49 -8.559 7.813 -2.439 1.00 0.00 C ATOM 678 OD1 ASN A 49 -9.167 8.823 -2.694 1.00 0.00 O ATOM 679 ND2 ASN A 49 -8.851 6.754 -3.113 1.00 0.00 N ATOM 0 H ASN A 49 -6.544 5.689 -2.135 1.00 0.00 H new ATOM 0 HA ASN A 49 -6.127 8.431 -2.916 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -7.611 6.935 -0.719 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -7.570 8.687 -0.739 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -9.574 6.790 -3.832 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -8.359 5.880 -2.927 1.00 0.00 H new ATOM 686 N CYS A 50 -4.495 7.465 -0.159 1.00 0.00 N ATOM 687 CA CYS A 50 -3.388 8.041 0.682 1.00 0.00 C ATOM 688 C CYS A 50 -2.143 8.124 -0.218 1.00 0.00 C ATOM 689 O CYS A 50 -1.425 9.119 -0.223 1.00 0.00 O ATOM 690 CB CYS A 50 -3.147 7.136 1.867 1.00 0.00 C ATOM 691 SG CYS A 50 -4.267 7.365 3.266 1.00 0.00 S ATOM 0 H CYS A 50 -4.796 6.517 0.066 1.00 0.00 H new ATOM 0 HA CYS A 50 -3.637 9.031 1.065 1.00 0.00 H new ATOM 0 HB2 CYS A 50 -3.220 6.101 1.532 1.00 0.00 H new ATOM 0 HB3 CYS A 50 -2.125 7.287 2.215 1.00 0.00 H new ATOM 696 N LEU A 51 -1.915 7.047 -0.947 1.00 0.00 N ATOM 697 CA LEU A 51 -0.753 6.992 -1.893 1.00 0.00 C ATOM 698 C LEU A 51 -0.816 8.336 -2.594 1.00 0.00 C ATOM 699 O LEU A 51 0.093 9.107 -2.453 1.00 0.00 O ATOM 700 CB LEU A 51 -0.893 5.886 -2.971 1.00 0.00 C ATOM 701 CG LEU A 51 -1.045 4.491 -2.382 1.00 0.00 C ATOM 702 CD1 LEU A 51 -0.945 3.500 -3.518 1.00 0.00 C ATOM 703 CD2 LEU A 51 0.051 4.230 -1.377 1.00 0.00 C ATOM 0 H LEU A 51 -2.488 6.204 -0.924 1.00 0.00 H new ATOM 0 HA LEU A 51 0.171 6.779 -1.356 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -1.758 6.105 -3.597 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -0.017 5.906 -3.619 1.00 0.00 H new ATOM 0 HG LEU A 51 -2.004 4.397 -1.873 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -1.050 2.488 -3.128 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -1.737 3.694 -4.241 1.00 0.00 H new ATOM 0 HD13 LEU A 51 0.025 3.602 -4.006 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -0.067 3.229 -0.962 1.00 0.00 H new ATOM 0 HD22 LEU A 51 1.021 4.307 -1.868 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -0.009 4.965 -0.575 1.00 0.00 H new ATOM 715 N LYS A 52 -1.872 8.585 -3.314 1.00 0.00 N ATOM 716 CA LYS A 52 -2.041 9.885 -4.036 1.00 0.00 C ATOM 717 C LYS A 52 -1.307 11.103 -3.412 1.00 0.00 C ATOM 718 O LYS A 52 -0.466 11.739 -4.027 1.00 0.00 O ATOM 719 CB LYS A 52 -3.579 10.154 -4.117 1.00 0.00 C ATOM 720 CG LYS A 52 -4.109 9.818 -5.516 1.00 0.00 C ATOM 721 CD LYS A 52 -3.456 10.826 -6.491 1.00 0.00 C ATOM 722 CE LYS A 52 -3.061 10.159 -7.761 1.00 0.00 C ATOM 723 NZ LYS A 52 -4.261 9.971 -8.605 1.00 0.00 N ATOM 0 H LYS A 52 -2.644 7.930 -3.438 1.00 0.00 H new ATOM 0 HA LYS A 52 -1.573 9.782 -5.015 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -4.099 9.554 -3.371 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -3.784 11.199 -3.885 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -3.856 8.794 -5.790 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -5.196 9.897 -5.548 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -4.153 11.636 -6.703 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -2.579 11.274 -6.023 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -2.322 10.762 -8.288 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -2.595 9.196 -7.551 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -3.985 9.983 -9.608 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -4.705 9.058 -8.378 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -4.937 10.740 -8.423 1.00 0.00 H new ATOM 737 N GLY A 53 -1.646 11.386 -2.180 1.00 0.00 N ATOM 738 CA GLY A 53 -1.027 12.544 -1.455 1.00 0.00 C ATOM 739 C GLY A 53 0.440 12.372 -1.142 1.00 0.00 C ATOM 740 O GLY A 53 1.165 13.338 -1.261 1.00 0.00 O ATOM 0 H GLY A 53 -2.332 10.861 -1.638 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -1.155 13.444 -2.057 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -1.568 12.705 -0.523 1.00 0.00 H new ATOM 744 N ILE A 54 0.872 11.206 -0.753 1.00 0.00 N ATOM 745 CA ILE A 54 2.351 11.110 -0.468 1.00 0.00 C ATOM 746 C ILE A 54 3.067 10.903 -1.818 1.00 0.00 C ATOM 747 O ILE A 54 3.996 11.621 -2.152 1.00 0.00 O ATOM 748 CB ILE A 54 2.573 9.928 0.520 1.00 0.00 C ATOM 749 CG1 ILE A 54 3.847 10.214 1.365 1.00 0.00 C ATOM 750 CG2 ILE A 54 2.695 8.565 -0.193 1.00 0.00 C ATOM 751 CD1 ILE A 54 3.833 9.366 2.642 1.00 0.00 C ATOM 0 H ILE A 54 0.317 10.360 -0.623 1.00 0.00 H new ATOM 0 HA ILE A 54 2.755 12.009 -0.003 1.00 0.00 H new ATOM 0 HB ILE A 54 1.696 9.858 1.163 1.00 0.00 H new ATOM 0 HG12 ILE A 54 4.739 9.990 0.780 1.00 0.00 H new ATOM 0 HG13 ILE A 54 3.892 11.272 1.622 1.00 0.00 H new ATOM 0 HG21 ILE A 54 2.849 7.780 0.547 1.00 0.00 H new ATOM 0 HG22 ILE A 54 1.781 8.363 -0.752 1.00 0.00 H new ATOM 0 HG23 ILE A 54 3.542 8.588 -0.879 1.00 0.00 H new ATOM 0 HD11 ILE A 54 4.729 9.574 3.227 1.00 0.00 H new ATOM 0 HD12 ILE A 54 2.950 9.611 3.232 1.00 0.00 H new ATOM 0 HD13 ILE A 54 3.810 8.309 2.377 1.00 0.00 H new ATOM 763 N ALA A 55 2.581 9.912 -2.537 1.00 0.00 N ATOM 764 CA ALA A 55 3.081 9.499 -3.887 1.00 0.00 C ATOM 765 C ALA A 55 3.433 10.798 -4.585 1.00 0.00 C ATOM 766 O ALA A 55 4.482 10.862 -5.196 1.00 0.00 O ATOM 767 CB ALA A 55 1.957 8.723 -4.624 1.00 0.00 C ATOM 0 H ALA A 55 1.803 9.337 -2.212 1.00 0.00 H new ATOM 0 HA ALA A 55 3.946 8.837 -3.852 1.00 0.00 H new ATOM 0 HB1 ALA A 55 2.311 8.418 -5.609 1.00 0.00 H new ATOM 0 HB2 ALA A 55 1.685 7.840 -4.046 1.00 0.00 H new ATOM 0 HB3 ALA A 55 1.084 9.366 -4.736 1.00 0.00 H new ATOM 773 N ARG A 56 2.505 11.740 -4.415 1.00 0.00 N ATOM 774 CA ARG A 56 2.573 13.140 -4.967 1.00 0.00 C ATOM 775 C ARG A 56 4.014 13.406 -5.436 1.00 0.00 C ATOM 776 O ARG A 56 4.262 13.655 -6.594 1.00 0.00 O ATOM 777 CB ARG A 56 2.162 14.125 -3.823 1.00 0.00 C ATOM 778 CG ARG A 56 2.326 15.629 -4.224 1.00 0.00 C ATOM 779 CD ARG A 56 1.146 16.179 -5.062 1.00 0.00 C ATOM 780 NE ARG A 56 0.043 16.587 -4.111 1.00 0.00 N ATOM 781 CZ ARG A 56 -1.190 16.346 -4.369 1.00 0.00 C ATOM 782 NH1 ARG A 56 -1.622 15.147 -4.361 1.00 0.00 N ATOM 783 NH2 ARG A 56 -1.930 17.348 -4.624 1.00 0.00 N ATOM 0 H ARG A 56 1.654 11.570 -3.879 1.00 0.00 H new ATOM 0 HA ARG A 56 1.901 13.276 -5.814 1.00 0.00 H new ATOM 0 HB2 ARG A 56 1.124 13.939 -3.546 1.00 0.00 H new ATOM 0 HB3 ARG A 56 2.768 13.922 -2.940 1.00 0.00 H new ATOM 0 HG2 ARG A 56 2.429 16.228 -3.319 1.00 0.00 H new ATOM 0 HG3 ARG A 56 3.249 15.747 -4.791 1.00 0.00 H new ATOM 0 HD2 ARG A 56 1.468 17.032 -5.659 1.00 0.00 H new ATOM 0 HD3 ARG A 56 0.787 15.420 -5.758 1.00 0.00 H new ATOM 0 HE ARG A 56 0.286 17.065 -3.243 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -0.987 14.377 -4.149 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -2.603 14.957 -4.566 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -1.535 18.288 -4.617 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -2.918 17.211 -4.836 1.00 0.00 H new ATOM 797 N GLY A 57 4.892 13.322 -4.466 1.00 0.00 N ATOM 798 CA GLY A 57 6.369 13.530 -4.657 1.00 0.00 C ATOM 799 C GLY A 57 7.157 13.041 -3.430 1.00 0.00 C ATOM 800 O GLY A 57 8.247 13.512 -3.191 1.00 0.00 O ATOM 0 H GLY A 57 4.634 13.107 -3.503 1.00 0.00 H new ATOM 0 HA2 GLY A 57 6.703 12.995 -5.546 1.00 0.00 H new ATOM 0 HA3 GLY A 57 6.572 14.587 -4.827 1.00 0.00 H new ATOM 804 N ILE A 58 6.575 12.116 -2.706 1.00 0.00 N ATOM 805 CA ILE A 58 7.157 11.494 -1.456 1.00 0.00 C ATOM 806 C ILE A 58 8.581 11.879 -1.079 1.00 0.00 C ATOM 807 O ILE A 58 8.820 12.665 -0.189 1.00 0.00 O ATOM 808 CB ILE A 58 7.183 9.909 -1.510 1.00 0.00 C ATOM 809 CG1 ILE A 58 5.828 9.368 -1.828 1.00 0.00 C ATOM 810 CG2 ILE A 58 7.646 9.351 -0.100 1.00 0.00 C ATOM 811 CD1 ILE A 58 5.896 7.853 -1.892 1.00 0.00 C ATOM 0 H ILE A 58 5.658 11.739 -2.944 1.00 0.00 H new ATOM 0 HA ILE A 58 6.470 11.900 -0.714 1.00 0.00 H new ATOM 0 HB ILE A 58 7.877 9.596 -2.290 1.00 0.00 H new ATOM 0 HG12 ILE A 58 5.112 9.680 -1.068 1.00 0.00 H new ATOM 0 HG13 ILE A 58 5.478 9.768 -2.779 1.00 0.00 H new ATOM 0 HG21 ILE A 58 7.667 8.262 -0.129 1.00 0.00 H new ATOM 0 HG22 ILE A 58 8.643 9.727 0.130 1.00 0.00 H new ATOM 0 HG23 ILE A 58 6.947 9.681 0.669 1.00 0.00 H new ATOM 0 HD11 ILE A 58 4.909 7.454 -2.124 1.00 0.00 H new ATOM 0 HD12 ILE A 58 6.600 7.553 -2.668 1.00 0.00 H new ATOM 0 HD13 ILE A 58 6.228 7.463 -0.930 1.00 0.00 H new ATOM 823 N HIS A 59 9.474 11.250 -1.786 1.00 0.00 N ATOM 824 CA HIS A 59 10.942 11.419 -1.628 1.00 0.00 C ATOM 825 C HIS A 59 11.502 11.138 -3.030 1.00 0.00 C ATOM 826 O HIS A 59 11.817 12.046 -3.766 1.00 0.00 O ATOM 827 CB HIS A 59 11.345 10.390 -0.529 1.00 0.00 C ATOM 828 CG HIS A 59 11.603 11.104 0.795 1.00 0.00 C ATOM 829 ND1 HIS A 59 10.768 11.876 1.398 1.00 0.00 N ATOM 830 CD2 HIS A 59 12.713 11.106 1.618 1.00 0.00 C ATOM 831 CE1 HIS A 59 11.290 12.325 2.494 1.00 0.00 C ATOM 832 NE2 HIS A 59 12.504 11.869 2.670 1.00 0.00 N ATOM 0 H HIS A 59 9.225 10.582 -2.515 1.00 0.00 H new ATOM 0 HA HIS A 59 11.313 12.393 -1.308 1.00 0.00 H new ATOM 0 HB2 HIS A 59 10.553 9.652 -0.404 1.00 0.00 H new ATOM 0 HB3 HIS A 59 12.239 9.848 -0.838 1.00 0.00 H new ATOM 0 HD1 HIS A 59 9.832 12.101 1.061 1.00 0.00 H new ATOM 0 HD2 HIS A 59 13.624 10.559 1.425 1.00 0.00 H new ATOM 0 HE1 HIS A 59 10.787 12.992 3.178 1.00 0.00 H new ATOM 840 N ASN A 60 11.612 9.877 -3.350 1.00 0.00 N ATOM 841 CA ASN A 60 12.129 9.482 -4.698 1.00 0.00 C ATOM 842 C ASN A 60 11.266 8.293 -5.189 1.00 0.00 C ATOM 843 O ASN A 60 11.769 7.249 -5.558 1.00 0.00 O ATOM 844 CB ASN A 60 13.627 9.121 -4.533 1.00 0.00 C ATOM 845 CG ASN A 60 14.236 8.786 -5.889 1.00 0.00 C ATOM 846 OD1 ASN A 60 14.505 9.622 -6.722 1.00 0.00 O ATOM 847 ND2 ASN A 60 14.471 7.550 -6.162 1.00 0.00 N ATOM 0 H ASN A 60 11.366 9.100 -2.737 1.00 0.00 H new ATOM 0 HA ASN A 60 12.060 10.276 -5.442 1.00 0.00 H new ATOM 0 HB2 ASN A 60 14.163 9.956 -4.081 1.00 0.00 H new ATOM 0 HB3 ASN A 60 13.732 8.272 -3.858 1.00 0.00 H new ATOM 0 HD21 ASN A 60 14.875 7.295 -7.063 1.00 0.00 H new ATOM 0 HD22 ASN A 60 14.253 6.826 -5.477 1.00 0.00 H new ATOM 854 N LEU A 61 9.969 8.511 -5.156 1.00 0.00 N ATOM 855 CA LEU A 61 8.990 7.454 -5.605 1.00 0.00 C ATOM 856 C LEU A 61 9.505 6.647 -6.839 1.00 0.00 C ATOM 857 O LEU A 61 9.388 7.079 -7.969 1.00 0.00 O ATOM 858 CB LEU A 61 7.634 8.175 -5.906 1.00 0.00 C ATOM 859 CG LEU A 61 6.596 7.219 -6.567 1.00 0.00 C ATOM 860 CD1 LEU A 61 6.580 5.852 -5.844 1.00 0.00 C ATOM 861 CD2 LEU A 61 5.190 7.855 -6.434 1.00 0.00 C ATOM 0 H LEU A 61 9.541 9.380 -4.836 1.00 0.00 H new ATOM 0 HA LEU A 61 8.861 6.712 -4.817 1.00 0.00 H new ATOM 0 HB2 LEU A 61 7.221 8.572 -4.979 1.00 0.00 H new ATOM 0 HB3 LEU A 61 7.814 9.025 -6.564 1.00 0.00 H new ATOM 0 HG LEU A 61 6.865 7.069 -7.612 1.00 0.00 H new ATOM 0 HD11 LEU A 61 5.849 5.198 -6.319 1.00 0.00 H new ATOM 0 HD12 LEU A 61 7.569 5.397 -5.905 1.00 0.00 H new ATOM 0 HD13 LEU A 61 6.311 5.997 -4.798 1.00 0.00 H new ATOM 0 HD21 LEU A 61 4.449 7.199 -6.892 1.00 0.00 H new ATOM 0 HD22 LEU A 61 4.951 7.992 -5.379 1.00 0.00 H new ATOM 0 HD23 LEU A 61 5.179 8.822 -6.937 1.00 0.00 H new ATOM 873 N ASN A 62 10.060 5.492 -6.599 1.00 0.00 N ATOM 874 CA ASN A 62 10.598 4.636 -7.689 1.00 0.00 C ATOM 875 C ASN A 62 9.582 3.597 -8.176 1.00 0.00 C ATOM 876 O ASN A 62 9.630 2.411 -7.905 1.00 0.00 O ATOM 877 CB ASN A 62 11.848 4.006 -7.115 1.00 0.00 C ATOM 878 CG ASN A 62 12.697 3.488 -8.260 1.00 0.00 C ATOM 879 OD1 ASN A 62 12.253 2.685 -9.053 1.00 0.00 O ATOM 880 ND2 ASN A 62 13.914 3.897 -8.412 1.00 0.00 N ATOM 0 H ASN A 62 10.165 5.096 -5.665 1.00 0.00 H new ATOM 0 HA ASN A 62 10.821 5.219 -8.583 1.00 0.00 H new ATOM 0 HB2 ASN A 62 12.406 4.737 -6.531 1.00 0.00 H new ATOM 0 HB3 ASN A 62 11.586 3.192 -6.440 1.00 0.00 H new ATOM 0 HD21 ASN A 62 14.478 3.545 -9.186 1.00 0.00 H new ATOM 0 HD22 ASN A 62 14.311 4.572 -7.758 1.00 0.00 H new ATOM 887 N LEU A 63 8.645 4.127 -8.898 1.00 0.00 N ATOM 888 CA LEU A 63 7.548 3.294 -9.483 1.00 0.00 C ATOM 889 C LEU A 63 8.057 1.935 -10.026 1.00 0.00 C ATOM 890 O LEU A 63 7.416 0.912 -9.899 1.00 0.00 O ATOM 891 CB LEU A 63 6.896 4.122 -10.603 1.00 0.00 C ATOM 892 CG LEU A 63 6.415 5.472 -10.043 1.00 0.00 C ATOM 893 CD1 LEU A 63 5.918 6.316 -11.183 1.00 0.00 C ATOM 894 CD2 LEU A 63 5.236 5.216 -9.112 1.00 0.00 C ATOM 0 H LEU A 63 8.585 5.121 -9.116 1.00 0.00 H new ATOM 0 HA LEU A 63 6.826 3.047 -8.704 1.00 0.00 H new ATOM 0 HB2 LEU A 63 7.611 4.287 -11.409 1.00 0.00 H new ATOM 0 HB3 LEU A 63 6.055 3.575 -11.030 1.00 0.00 H new ATOM 0 HG LEU A 63 7.230 5.970 -9.517 1.00 0.00 H new ATOM 0 HD11 LEU A 63 5.573 7.277 -10.801 1.00 0.00 H new ATOM 0 HD12 LEU A 63 6.727 6.478 -11.896 1.00 0.00 H new ATOM 0 HD13 LEU A 63 5.093 5.806 -11.680 1.00 0.00 H new ATOM 0 HD21 LEU A 63 4.881 6.163 -8.705 1.00 0.00 H new ATOM 0 HD22 LEU A 63 4.431 4.736 -9.668 1.00 0.00 H new ATOM 0 HD23 LEU A 63 5.551 4.566 -8.296 1.00 0.00 H new ATOM 906 N ASN A 64 9.222 1.979 -10.624 1.00 0.00 N ATOM 907 CA ASN A 64 9.845 0.739 -11.194 1.00 0.00 C ATOM 908 C ASN A 64 10.045 -0.219 -10.001 1.00 0.00 C ATOM 909 O ASN A 64 9.531 -1.319 -10.003 1.00 0.00 O ATOM 910 CB ASN A 64 11.220 1.075 -11.838 1.00 0.00 C ATOM 911 CG ASN A 64 11.186 2.464 -12.429 1.00 0.00 C ATOM 912 OD1 ASN A 64 10.879 2.708 -13.571 1.00 0.00 O ATOM 913 ND2 ASN A 64 11.505 3.427 -11.633 1.00 0.00 N ATOM 0 H ASN A 64 9.775 2.828 -10.744 1.00 0.00 H new ATOM 0 HA ASN A 64 9.218 0.297 -11.968 1.00 0.00 H new ATOM 0 HB2 ASN A 64 12.008 1.009 -11.088 1.00 0.00 H new ATOM 0 HB3 ASN A 64 11.456 0.346 -12.614 1.00 0.00 H new ATOM 0 HD21 ASN A 64 11.497 4.390 -11.969 1.00 0.00 H new ATOM 0 HD22 ASN A 64 11.765 3.226 -10.667 1.00 0.00 H new ATOM 920 N ASN A 65 10.777 0.208 -8.996 1.00 0.00 N ATOM 921 CA ASN A 65 11.016 -0.666 -7.801 1.00 0.00 C ATOM 922 C ASN A 65 9.671 -1.118 -7.237 1.00 0.00 C ATOM 923 O ASN A 65 9.526 -2.270 -6.861 1.00 0.00 O ATOM 924 CB ASN A 65 11.887 0.183 -6.773 1.00 0.00 C ATOM 925 CG ASN A 65 11.280 0.382 -5.383 1.00 0.00 C ATOM 926 OD1 ASN A 65 10.168 0.045 -5.057 1.00 0.00 O ATOM 927 ND2 ASN A 65 11.924 0.935 -4.428 1.00 0.00 N ATOM 0 H ASN A 65 11.220 1.126 -8.953 1.00 0.00 H new ATOM 0 HA ASN A 65 11.564 -1.577 -8.043 1.00 0.00 H new ATOM 0 HB2 ASN A 65 12.855 -0.305 -6.658 1.00 0.00 H new ATOM 0 HB3 ASN A 65 12.074 1.164 -7.210 1.00 0.00 H new ATOM 0 HD21 ASN A 65 11.485 1.047 -3.514 1.00 0.00 H new ATOM 0 HD22 ASN A 65 12.878 1.264 -4.579 1.00 0.00 H new ATOM 934 N ALA A 66 8.756 -0.191 -7.198 1.00 0.00 N ATOM 935 CA ALA A 66 7.403 -0.505 -6.669 1.00 0.00 C ATOM 936 C ALA A 66 6.839 -1.661 -7.513 1.00 0.00 C ATOM 937 O ALA A 66 6.334 -2.618 -6.974 1.00 0.00 O ATOM 938 CB ALA A 66 6.582 0.778 -6.777 1.00 0.00 C ATOM 0 H ALA A 66 8.888 0.771 -7.510 1.00 0.00 H new ATOM 0 HA ALA A 66 7.397 -0.826 -5.627 1.00 0.00 H new ATOM 0 HB1 ALA A 66 5.575 0.599 -6.399 1.00 0.00 H new ATOM 0 HB2 ALA A 66 7.056 1.564 -6.189 1.00 0.00 H new ATOM 0 HB3 ALA A 66 6.528 1.089 -7.820 1.00 0.00 H new ATOM 944 N ALA A 67 6.928 -1.567 -8.815 1.00 0.00 N ATOM 945 CA ALA A 67 6.427 -2.641 -9.734 1.00 0.00 C ATOM 946 C ALA A 67 7.117 -3.998 -9.457 1.00 0.00 C ATOM 947 O ALA A 67 6.707 -5.022 -9.967 1.00 0.00 O ATOM 948 CB ALA A 67 6.691 -2.178 -11.179 1.00 0.00 C ATOM 0 H ALA A 67 7.339 -0.767 -9.296 1.00 0.00 H new ATOM 0 HA ALA A 67 5.361 -2.798 -9.570 1.00 0.00 H new ATOM 0 HB1 ALA A 67 6.337 -2.939 -11.875 1.00 0.00 H new ATOM 0 HB2 ALA A 67 6.162 -1.243 -11.364 1.00 0.00 H new ATOM 0 HB3 ALA A 67 7.761 -2.024 -11.322 1.00 0.00 H new ATOM 954 N SER A 68 8.150 -3.960 -8.649 1.00 0.00 N ATOM 955 CA SER A 68 8.932 -5.180 -8.272 1.00 0.00 C ATOM 956 C SER A 68 8.421 -5.692 -6.914 1.00 0.00 C ATOM 957 O SER A 68 8.771 -6.775 -6.462 1.00 0.00 O ATOM 958 CB SER A 68 10.413 -4.775 -8.211 1.00 0.00 C ATOM 959 OG SER A 68 11.109 -5.978 -7.906 1.00 0.00 O ATOM 0 H SER A 68 8.495 -3.101 -8.220 1.00 0.00 H new ATOM 0 HA SER A 68 8.814 -5.986 -8.997 1.00 0.00 H new ATOM 0 HB2 SER A 68 10.747 -4.355 -9.160 1.00 0.00 H new ATOM 0 HB3 SER A 68 10.584 -4.015 -7.448 1.00 0.00 H new ATOM 0 HG SER A 68 12.070 -5.795 -7.852 1.00 0.00 H new ATOM 965 N ILE A 69 7.581 -4.895 -6.287 1.00 0.00 N ATOM 966 CA ILE A 69 7.030 -5.329 -4.952 1.00 0.00 C ATOM 967 C ILE A 69 6.168 -6.586 -5.270 1.00 0.00 C ATOM 968 O ILE A 69 6.455 -7.626 -4.715 1.00 0.00 O ATOM 969 CB ILE A 69 6.101 -4.196 -4.262 1.00 0.00 C ATOM 970 CG1 ILE A 69 6.840 -3.119 -3.421 1.00 0.00 C ATOM 971 CG2 ILE A 69 5.105 -4.913 -3.297 1.00 0.00 C ATOM 972 CD1 ILE A 69 5.889 -1.939 -3.091 1.00 0.00 C ATOM 0 H ILE A 69 7.259 -3.989 -6.627 1.00 0.00 H new ATOM 0 HA ILE A 69 7.839 -5.520 -4.247 1.00 0.00 H new ATOM 0 HB ILE A 69 5.635 -3.668 -5.094 1.00 0.00 H new ATOM 0 HG12 ILE A 69 7.212 -3.563 -2.498 1.00 0.00 H new ATOM 0 HG13 ILE A 69 7.707 -2.752 -3.970 1.00 0.00 H new ATOM 0 HG21 ILE A 69 4.466 -4.172 -2.818 1.00 0.00 H new ATOM 0 HG22 ILE A 69 4.489 -5.612 -3.863 1.00 0.00 H new ATOM 0 HG23 ILE A 69 5.664 -5.457 -2.536 1.00 0.00 H new ATOM 0 HD11 ILE A 69 6.424 -1.194 -2.501 1.00 0.00 H new ATOM 0 HD12 ILE A 69 5.538 -1.484 -4.017 1.00 0.00 H new ATOM 0 HD13 ILE A 69 5.036 -2.308 -2.522 1.00 0.00 H new ATOM 984 N PRO A 70 5.175 -6.506 -6.145 1.00 0.00 N ATOM 985 CA PRO A 70 4.161 -7.593 -6.310 1.00 0.00 C ATOM 986 C PRO A 70 4.814 -8.972 -6.488 1.00 0.00 C ATOM 987 O PRO A 70 4.406 -9.952 -5.880 1.00 0.00 O ATOM 988 CB PRO A 70 3.342 -7.156 -7.517 1.00 0.00 C ATOM 989 CG PRO A 70 3.434 -5.605 -7.431 1.00 0.00 C ATOM 990 CD PRO A 70 4.903 -5.380 -7.091 1.00 0.00 C ATOM 0 HA PRO A 70 3.536 -7.721 -5.427 1.00 0.00 H new ATOM 0 HB2 PRO A 70 3.756 -7.538 -8.450 1.00 0.00 H new ATOM 0 HB3 PRO A 70 2.312 -7.507 -7.459 1.00 0.00 H new ATOM 0 HG2 PRO A 70 3.158 -5.129 -8.372 1.00 0.00 H new ATOM 0 HG3 PRO A 70 2.773 -5.201 -6.664 1.00 0.00 H new ATOM 0 HD2 PRO A 70 5.539 -5.426 -7.975 1.00 0.00 H new ATOM 0 HD3 PRO A 70 5.071 -4.408 -6.628 1.00 0.00 H new ATOM 998 N SER A 71 5.810 -8.938 -7.340 1.00 0.00 N ATOM 999 CA SER A 71 6.612 -10.150 -7.695 1.00 0.00 C ATOM 1000 C SER A 71 7.452 -10.623 -6.512 1.00 0.00 C ATOM 1001 O SER A 71 7.257 -11.713 -6.010 1.00 0.00 O ATOM 1002 CB SER A 71 7.536 -9.799 -8.874 1.00 0.00 C ATOM 1003 OG SER A 71 6.644 -9.352 -9.887 1.00 0.00 O ATOM 0 H SER A 71 6.109 -8.089 -7.820 1.00 0.00 H new ATOM 0 HA SER A 71 5.931 -10.956 -7.968 1.00 0.00 H new ATOM 0 HB2 SER A 71 8.253 -9.024 -8.603 1.00 0.00 H new ATOM 0 HB3 SER A 71 8.111 -10.665 -9.202 1.00 0.00 H new ATOM 0 HG SER A 71 7.154 -9.102 -10.685 1.00 0.00 H new ATOM 1009 N LYS A 72 8.357 -9.766 -6.095 1.00 0.00 N ATOM 1010 CA LYS A 72 9.274 -10.064 -4.952 1.00 0.00 C ATOM 1011 C LYS A 72 8.541 -10.551 -3.708 1.00 0.00 C ATOM 1012 O LYS A 72 9.027 -11.383 -2.969 1.00 0.00 O ATOM 1013 CB LYS A 72 9.993 -8.797 -4.676 1.00 0.00 C ATOM 1014 CG LYS A 72 11.039 -8.982 -3.573 1.00 0.00 C ATOM 1015 CD LYS A 72 11.522 -7.590 -3.171 1.00 0.00 C ATOM 1016 CE LYS A 72 12.100 -6.807 -4.351 1.00 0.00 C ATOM 1017 NZ LYS A 72 11.029 -6.208 -5.204 1.00 0.00 N ATOM 0 H LYS A 72 8.499 -8.847 -6.514 1.00 0.00 H new ATOM 0 HA LYS A 72 9.949 -10.878 -5.216 1.00 0.00 H new ATOM 0 HB2 LYS A 72 10.479 -8.446 -5.586 1.00 0.00 H new ATOM 0 HB3 LYS A 72 9.280 -8.028 -4.379 1.00 0.00 H new ATOM 0 HG2 LYS A 72 10.608 -9.502 -2.717 1.00 0.00 H new ATOM 0 HG3 LYS A 72 11.871 -9.590 -3.929 1.00 0.00 H new ATOM 0 HD2 LYS A 72 10.691 -7.031 -2.740 1.00 0.00 H new ATOM 0 HD3 LYS A 72 12.281 -7.683 -2.394 1.00 0.00 H new ATOM 0 HE2 LYS A 72 12.751 -6.016 -3.977 1.00 0.00 H new ATOM 0 HE3 LYS A 72 12.718 -7.469 -4.957 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 11.177 -6.488 -6.195 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 10.100 -6.547 -4.884 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 11.064 -5.171 -5.128 1.00 0.00 H new ATOM 1031 N CYS A 73 7.398 -9.953 -3.549 1.00 0.00 N ATOM 1032 CA CYS A 73 6.495 -10.247 -2.415 1.00 0.00 C ATOM 1033 C CYS A 73 5.384 -11.237 -2.780 1.00 0.00 C ATOM 1034 O CYS A 73 4.458 -11.413 -2.020 1.00 0.00 O ATOM 1035 CB CYS A 73 5.955 -8.893 -2.010 1.00 0.00 C ATOM 1036 SG CYS A 73 7.193 -7.629 -1.628 1.00 0.00 S ATOM 0 H CYS A 73 7.042 -9.243 -4.188 1.00 0.00 H new ATOM 0 HA CYS A 73 7.018 -10.743 -1.597 1.00 0.00 H new ATOM 0 HB2 CYS A 73 5.321 -8.521 -2.815 1.00 0.00 H new ATOM 0 HB3 CYS A 73 5.317 -9.025 -1.136 1.00 0.00 H new ATOM 1041 N ASN A 74 5.521 -11.855 -3.919 1.00 0.00 N ATOM 1042 CA ASN A 74 4.532 -12.856 -4.450 1.00 0.00 C ATOM 1043 C ASN A 74 3.108 -12.735 -3.801 1.00 0.00 C ATOM 1044 O ASN A 74 2.560 -13.630 -3.181 1.00 0.00 O ATOM 1045 CB ASN A 74 5.192 -14.217 -4.212 1.00 0.00 C ATOM 1046 CG ASN A 74 4.384 -15.288 -4.912 1.00 0.00 C ATOM 1047 OD1 ASN A 74 4.379 -15.435 -6.112 1.00 0.00 O ATOM 1048 ND2 ASN A 74 3.659 -16.083 -4.210 1.00 0.00 N ATOM 0 H ASN A 74 6.317 -11.703 -4.539 1.00 0.00 H new ATOM 0 HA ASN A 74 4.324 -12.688 -5.507 1.00 0.00 H new ATOM 0 HB2 ASN A 74 6.214 -14.210 -4.590 1.00 0.00 H new ATOM 0 HB3 ASN A 74 5.248 -14.426 -3.144 1.00 0.00 H new ATOM 0 HD21 ASN A 74 3.105 -16.807 -4.668 1.00 0.00 H new ATOM 0 HD22 ASN A 74 3.637 -15.990 -3.194 1.00 0.00 H new ATOM 1055 N VAL A 75 2.621 -11.546 -4.036 1.00 0.00 N ATOM 1056 CA VAL A 75 1.264 -11.032 -3.574 1.00 0.00 C ATOM 1057 C VAL A 75 0.366 -10.834 -4.810 1.00 0.00 C ATOM 1058 O VAL A 75 -0.697 -10.254 -4.727 1.00 0.00 O ATOM 1059 CB VAL A 75 1.472 -9.638 -2.796 1.00 0.00 C ATOM 1060 CG1 VAL A 75 2.515 -8.883 -3.606 1.00 0.00 C ATOM 1061 CG2 VAL A 75 0.270 -8.685 -2.722 1.00 0.00 C ATOM 0 H VAL A 75 3.140 -10.849 -4.569 1.00 0.00 H new ATOM 0 HA VAL A 75 0.790 -11.744 -2.899 1.00 0.00 H new ATOM 0 HB VAL A 75 1.713 -9.905 -1.767 1.00 0.00 H new ATOM 0 HG11 VAL A 75 2.711 -7.919 -3.137 1.00 0.00 H new ATOM 0 HG12 VAL A 75 3.437 -9.463 -3.643 1.00 0.00 H new ATOM 0 HG13 VAL A 75 2.145 -8.725 -4.619 1.00 0.00 H new ATOM 0 HG21 VAL A 75 0.551 -7.787 -2.171 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -0.039 -8.410 -3.730 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -0.556 -9.180 -2.212 1.00 0.00 H new ATOM 1071 N ASN A 76 0.817 -11.345 -5.922 1.00 0.00 N ATOM 1072 CA ASN A 76 0.089 -11.244 -7.222 1.00 0.00 C ATOM 1073 C ASN A 76 -0.825 -9.999 -7.422 1.00 0.00 C ATOM 1074 O ASN A 76 -2.026 -10.098 -7.552 1.00 0.00 O ATOM 1075 CB ASN A 76 -0.708 -12.601 -7.387 1.00 0.00 C ATOM 1076 CG ASN A 76 -1.688 -12.961 -6.267 1.00 0.00 C ATOM 1077 OD1 ASN A 76 -1.932 -14.114 -5.995 1.00 0.00 O ATOM 1078 ND2 ASN A 76 -2.299 -12.062 -5.573 1.00 0.00 N ATOM 0 H ASN A 76 1.700 -11.851 -5.985 1.00 0.00 H new ATOM 0 HA ASN A 76 0.830 -11.089 -8.006 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -1.263 -12.559 -8.324 1.00 0.00 H new ATOM 0 HB3 ASN A 76 0.015 -13.411 -7.481 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -2.950 -12.340 -4.838 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -2.132 -11.073 -5.759 1.00 0.00 H new ATOM 1085 N VAL A 77 -0.209 -8.840 -7.429 1.00 0.00 N ATOM 1086 CA VAL A 77 -0.921 -7.525 -7.627 1.00 0.00 C ATOM 1087 C VAL A 77 -0.359 -6.753 -8.844 1.00 0.00 C ATOM 1088 O VAL A 77 0.411 -5.817 -8.708 1.00 0.00 O ATOM 1089 CB VAL A 77 -0.800 -6.594 -6.347 1.00 0.00 C ATOM 1090 CG1 VAL A 77 -1.843 -6.910 -5.329 1.00 0.00 C ATOM 1091 CG2 VAL A 77 0.528 -6.769 -5.654 1.00 0.00 C ATOM 0 H VAL A 77 0.798 -8.744 -7.301 1.00 0.00 H new ATOM 0 HA VAL A 77 -1.969 -7.771 -7.800 1.00 0.00 H new ATOM 0 HB VAL A 77 -0.917 -5.577 -6.721 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -1.724 -6.250 -4.470 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -2.832 -6.765 -5.764 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -1.736 -7.946 -5.008 1.00 0.00 H new ATOM 0 HG21 VAL A 77 0.573 -6.115 -4.783 1.00 0.00 H new ATOM 0 HG22 VAL A 77 0.639 -7.806 -5.336 1.00 0.00 H new ATOM 0 HG23 VAL A 77 1.334 -6.513 -6.342 1.00 0.00 H new ATOM 1101 N PRO A 78 -0.770 -7.171 -10.019 1.00 0.00 N ATOM 1102 CA PRO A 78 -1.217 -6.215 -11.065 1.00 0.00 C ATOM 1103 C PRO A 78 -2.358 -5.332 -10.503 1.00 0.00 C ATOM 1104 O PRO A 78 -3.496 -5.382 -10.941 1.00 0.00 O ATOM 1105 CB PRO A 78 -1.608 -7.137 -12.246 1.00 0.00 C ATOM 1106 CG PRO A 78 -1.994 -8.453 -11.528 1.00 0.00 C ATOM 1107 CD PRO A 78 -0.876 -8.585 -10.480 1.00 0.00 C ATOM 0 HA PRO A 78 -0.472 -5.491 -11.394 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -2.439 -6.729 -12.821 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -0.780 -7.281 -12.940 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -2.980 -8.392 -11.067 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -2.014 -9.301 -12.213 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -1.143 -9.266 -9.672 1.00 0.00 H new ATOM 0 HD3 PRO A 78 0.056 -8.952 -10.911 1.00 0.00 H new ATOM 1115 N TYR A 79 -1.974 -4.583 -9.504 1.00 0.00 N ATOM 1116 CA TYR A 79 -2.908 -3.646 -8.827 1.00 0.00 C ATOM 1117 C TYR A 79 -2.171 -2.320 -8.705 1.00 0.00 C ATOM 1118 O TYR A 79 -1.018 -2.279 -8.308 1.00 0.00 O ATOM 1119 CB TYR A 79 -3.329 -4.170 -7.390 1.00 0.00 C ATOM 1120 CG TYR A 79 -3.093 -3.201 -6.204 1.00 0.00 C ATOM 1121 CD1 TYR A 79 -1.848 -2.791 -5.732 1.00 0.00 C ATOM 1122 CD2 TYR A 79 -4.223 -2.705 -5.596 1.00 0.00 C ATOM 1123 CE1 TYR A 79 -1.761 -1.895 -4.670 1.00 0.00 C ATOM 1124 CE2 TYR A 79 -4.138 -1.828 -4.556 1.00 0.00 C ATOM 1125 CZ TYR A 79 -2.915 -1.422 -4.092 1.00 0.00 C ATOM 1126 OH TYR A 79 -2.854 -0.538 -3.048 1.00 0.00 O ATOM 0 H TYR A 79 -1.028 -4.584 -9.122 1.00 0.00 H new ATOM 0 HA TYR A 79 -3.828 -3.549 -9.403 1.00 0.00 H new ATOM 0 HB2 TYR A 79 -4.388 -4.425 -7.417 1.00 0.00 H new ATOM 0 HB3 TYR A 79 -2.784 -5.093 -7.190 1.00 0.00 H new ATOM 0 HD1 TYR A 79 -0.947 -3.170 -6.192 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -5.195 -3.016 -5.949 1.00 0.00 H new ATOM 0 HE1 TYR A 79 -0.797 -1.575 -4.304 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -5.039 -1.451 -4.096 1.00 0.00 H new ATOM 0 HH TYR A 79 -1.946 -0.529 -2.680 1.00 0.00 H new ATOM 1136 N THR A 80 -2.853 -1.273 -9.069 1.00 0.00 N ATOM 1137 CA THR A 80 -2.209 0.082 -8.964 1.00 0.00 C ATOM 1138 C THR A 80 -0.977 0.517 -9.748 1.00 0.00 C ATOM 1139 O THR A 80 -1.099 1.265 -10.687 1.00 0.00 O ATOM 1140 CB THR A 80 -1.848 0.327 -7.508 1.00 0.00 C ATOM 1141 OG1 THR A 80 -3.068 0.377 -6.791 1.00 0.00 O ATOM 1142 CG2 THR A 80 -1.148 1.649 -7.277 1.00 0.00 C ATOM 0 H THR A 80 -3.808 -1.284 -9.428 1.00 0.00 H new ATOM 0 HA THR A 80 -2.998 0.663 -9.441 1.00 0.00 H new ATOM 0 HB THR A 80 -1.172 -0.467 -7.191 1.00 0.00 H new ATOM 0 HG1 THR A 80 -3.030 -0.248 -6.037 1.00 0.00 H new ATOM 0 HG21 THR A 80 -0.919 1.759 -6.217 1.00 0.00 H new ATOM 0 HG22 THR A 80 -0.223 1.676 -7.853 1.00 0.00 H new ATOM 0 HG23 THR A 80 -1.797 2.465 -7.595 1.00 0.00 H new ATOM 1150 N ILE A 81 0.152 0.015 -9.313 1.00 0.00 N ATOM 1151 CA ILE A 81 1.514 0.301 -9.871 1.00 0.00 C ATOM 1152 C ILE A 81 1.536 1.561 -10.833 1.00 0.00 C ATOM 1153 O ILE A 81 1.986 1.506 -11.960 1.00 0.00 O ATOM 1154 CB ILE A 81 1.986 -0.987 -10.602 1.00 0.00 C ATOM 1155 CG1 ILE A 81 1.428 -2.343 -10.082 1.00 0.00 C ATOM 1156 CG2 ILE A 81 3.569 -1.070 -10.498 1.00 0.00 C ATOM 1157 CD1 ILE A 81 1.864 -2.698 -8.655 1.00 0.00 C ATOM 0 H ILE A 81 0.183 -0.635 -8.528 1.00 0.00 H new ATOM 0 HA ILE A 81 2.194 0.560 -9.059 1.00 0.00 H new ATOM 0 HB ILE A 81 1.597 -0.876 -11.614 1.00 0.00 H new ATOM 0 HG12 ILE A 81 0.339 -2.313 -10.120 1.00 0.00 H new ATOM 0 HG13 ILE A 81 1.749 -3.137 -10.756 1.00 0.00 H new ATOM 0 HG21 ILE A 81 3.920 -1.968 -11.006 1.00 0.00 H new ATOM 0 HG22 ILE A 81 4.011 -0.191 -10.968 1.00 0.00 H new ATOM 0 HG23 ILE A 81 3.863 -1.107 -9.449 1.00 0.00 H new ATOM 0 HD11 ILE A 81 1.432 -3.657 -8.370 1.00 0.00 H new ATOM 0 HD12 ILE A 81 2.951 -2.763 -8.612 1.00 0.00 H new ATOM 0 HD13 ILE A 81 1.519 -1.926 -7.967 1.00 0.00 H new ATOM 1169 N SER A 82 1.033 2.680 -10.347 1.00 0.00 N ATOM 1170 CA SER A 82 0.994 3.962 -11.165 1.00 0.00 C ATOM 1171 C SER A 82 1.893 5.077 -10.533 1.00 0.00 C ATOM 1172 O SER A 82 2.195 5.004 -9.358 1.00 0.00 O ATOM 1173 CB SER A 82 -0.452 4.589 -11.248 1.00 0.00 C ATOM 1174 OG SER A 82 -1.417 3.617 -11.666 1.00 0.00 O ATOM 0 H SER A 82 0.642 2.767 -9.409 1.00 0.00 H new ATOM 0 HA SER A 82 1.346 3.665 -12.153 1.00 0.00 H new ATOM 0 HB2 SER A 82 -0.734 4.989 -10.274 1.00 0.00 H new ATOM 0 HB3 SER A 82 -0.449 5.425 -11.947 1.00 0.00 H new ATOM 0 HG SER A 82 -1.471 2.901 -10.999 1.00 0.00 H new ATOM 1180 N PRO A 83 2.299 6.072 -11.301 1.00 0.00 N ATOM 1181 CA PRO A 83 2.653 7.415 -10.735 1.00 0.00 C ATOM 1182 C PRO A 83 1.494 8.136 -9.997 1.00 0.00 C ATOM 1183 O PRO A 83 1.470 8.219 -8.784 1.00 0.00 O ATOM 1184 CB PRO A 83 3.187 8.175 -11.971 1.00 0.00 C ATOM 1185 CG PRO A 83 2.474 7.490 -13.177 1.00 0.00 C ATOM 1186 CD PRO A 83 2.470 6.005 -12.787 1.00 0.00 C ATOM 0 HA PRO A 83 3.385 7.345 -9.930 1.00 0.00 H new ATOM 0 HB2 PRO A 83 2.949 9.238 -11.919 1.00 0.00 H new ATOM 0 HB3 PRO A 83 4.271 8.094 -12.051 1.00 0.00 H new ATOM 0 HG2 PRO A 83 1.463 7.872 -13.316 1.00 0.00 H new ATOM 0 HG3 PRO A 83 3.010 7.659 -14.111 1.00 0.00 H new ATOM 0 HD2 PRO A 83 1.657 5.460 -13.267 1.00 0.00 H new ATOM 0 HD3 PRO A 83 3.398 5.507 -13.069 1.00 0.00 H new ATOM 1194 N ASP A 84 0.540 8.622 -10.748 1.00 0.00 N ATOM 1195 CA ASP A 84 -0.626 9.346 -10.138 1.00 0.00 C ATOM 1196 C ASP A 84 -1.848 8.396 -9.971 1.00 0.00 C ATOM 1197 O ASP A 84 -2.975 8.698 -10.308 1.00 0.00 O ATOM 1198 CB ASP A 84 -0.893 10.561 -11.092 1.00 0.00 C ATOM 1199 CG ASP A 84 -1.709 11.629 -10.376 1.00 0.00 C ATOM 1200 OD1 ASP A 84 -2.925 11.527 -10.412 1.00 0.00 O ATOM 1201 OD2 ASP A 84 -1.069 12.488 -9.804 1.00 0.00 O ATOM 0 H ASP A 84 0.515 8.550 -11.765 1.00 0.00 H new ATOM 0 HA ASP A 84 -0.427 9.700 -9.126 1.00 0.00 H new ATOM 0 HB2 ASP A 84 0.054 10.983 -11.428 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -1.425 10.223 -11.981 1.00 0.00 H new ATOM 1206 N ILE A 85 -1.559 7.244 -9.428 1.00 0.00 N ATOM 1207 CA ILE A 85 -2.610 6.195 -9.186 1.00 0.00 C ATOM 1208 C ILE A 85 -4.078 6.631 -9.008 1.00 0.00 C ATOM 1209 O ILE A 85 -4.443 7.433 -8.171 1.00 0.00 O ATOM 1210 CB ILE A 85 -2.219 5.354 -7.937 1.00 0.00 C ATOM 1211 CG1 ILE A 85 -3.340 4.268 -7.721 1.00 0.00 C ATOM 1212 CG2 ILE A 85 -2.025 6.256 -6.698 1.00 0.00 C ATOM 1213 CD1 ILE A 85 -3.281 3.692 -6.325 1.00 0.00 C ATOM 0 H ILE A 85 -0.620 6.974 -9.134 1.00 0.00 H new ATOM 0 HA ILE A 85 -2.607 5.648 -10.129 1.00 0.00 H new ATOM 0 HB ILE A 85 -1.262 4.856 -8.093 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -4.320 4.714 -7.892 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -3.221 3.469 -8.452 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -1.752 5.642 -5.840 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -1.232 6.978 -6.894 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -2.953 6.786 -6.485 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -4.066 2.946 -6.206 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -2.309 3.225 -6.165 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -3.425 4.489 -5.596 1.00 0.00 H new ATOM 1225 N ASP A 86 -4.866 6.043 -9.850 1.00 0.00 N ATOM 1226 CA ASP A 86 -6.339 6.243 -9.924 1.00 0.00 C ATOM 1227 C ASP A 86 -6.874 4.994 -9.161 1.00 0.00 C ATOM 1228 O ASP A 86 -6.265 3.945 -9.306 1.00 0.00 O ATOM 1229 CB ASP A 86 -6.800 6.211 -11.416 1.00 0.00 C ATOM 1230 CG ASP A 86 -5.723 5.866 -12.462 1.00 0.00 C ATOM 1231 OD1 ASP A 86 -4.547 6.146 -12.312 1.00 0.00 O ATOM 1232 OD2 ASP A 86 -6.194 5.289 -13.423 1.00 0.00 O ATOM 0 H ASP A 86 -4.522 5.380 -10.544 1.00 0.00 H new ATOM 0 HA ASP A 86 -6.687 7.190 -9.512 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -7.609 5.486 -11.507 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -7.217 7.187 -11.665 1.00 0.00 H new ATOM 1237 N CYS A 87 -7.953 5.099 -8.437 1.00 0.00 N ATOM 1238 CA CYS A 87 -8.468 3.905 -7.689 1.00 0.00 C ATOM 1239 C CYS A 87 -9.568 3.126 -8.449 1.00 0.00 C ATOM 1240 O CYS A 87 -10.624 2.812 -7.932 1.00 0.00 O ATOM 1241 CB CYS A 87 -8.937 4.483 -6.341 1.00 0.00 C ATOM 1242 SG CYS A 87 -7.909 5.828 -5.703 1.00 0.00 S ATOM 0 H CYS A 87 -8.502 5.952 -8.327 1.00 0.00 H new ATOM 0 HA CYS A 87 -7.700 3.142 -7.558 1.00 0.00 H new ATOM 0 HB2 CYS A 87 -9.959 4.845 -6.451 1.00 0.00 H new ATOM 0 HB3 CYS A 87 -8.961 3.680 -5.604 1.00 0.00 H new ATOM 1247 N SER A 88 -9.231 2.818 -9.680 1.00 0.00 N ATOM 1248 CA SER A 88 -10.134 2.061 -10.636 1.00 0.00 C ATOM 1249 C SER A 88 -9.654 0.627 -10.961 1.00 0.00 C ATOM 1250 O SER A 88 -10.469 -0.259 -11.090 1.00 0.00 O ATOM 1251 CB SER A 88 -10.252 2.877 -11.954 1.00 0.00 C ATOM 1252 OG SER A 88 -11.092 2.135 -12.842 1.00 0.00 O ATOM 0 H SER A 88 -8.329 3.068 -10.086 1.00 0.00 H new ATOM 0 HA SER A 88 -11.098 1.949 -10.139 1.00 0.00 H new ATOM 0 HB2 SER A 88 -10.675 3.862 -11.759 1.00 0.00 H new ATOM 0 HB3 SER A 88 -9.269 3.034 -12.397 1.00 0.00 H new ATOM 0 HG SER A 88 -11.189 2.624 -13.686 1.00 0.00 H new ATOM 1258 N ARG A 89 -8.370 0.411 -11.092 1.00 0.00 N ATOM 1259 CA ARG A 89 -7.841 -0.961 -11.407 1.00 0.00 C ATOM 1260 C ARG A 89 -7.246 -1.649 -10.155 1.00 0.00 C ATOM 1261 O ARG A 89 -6.072 -1.968 -10.052 1.00 0.00 O ATOM 1262 CB ARG A 89 -6.744 -0.874 -12.566 1.00 0.00 C ATOM 1263 CG ARG A 89 -5.792 0.355 -12.491 1.00 0.00 C ATOM 1264 CD ARG A 89 -6.374 1.437 -13.417 1.00 0.00 C ATOM 1265 NE ARG A 89 -5.533 2.685 -13.411 1.00 0.00 N ATOM 1266 CZ ARG A 89 -4.346 2.815 -12.943 1.00 0.00 C ATOM 1267 NH1 ARG A 89 -3.309 2.461 -13.588 1.00 0.00 N ATOM 1268 NH2 ARG A 89 -4.180 3.333 -11.798 1.00 0.00 N ATOM 0 H ARG A 89 -7.654 1.131 -10.994 1.00 0.00 H new ATOM 0 HA ARG A 89 -8.679 -1.569 -11.749 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -6.141 -1.782 -12.542 1.00 0.00 H new ATOM 0 HB3 ARG A 89 -7.256 -0.858 -13.528 1.00 0.00 H new ATOM 0 HG2 ARG A 89 -5.718 0.723 -11.468 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -4.785 0.081 -12.804 1.00 0.00 H new ATOM 0 HD2 ARG A 89 -6.442 1.049 -14.433 1.00 0.00 H new ATOM 0 HD3 ARG A 89 -7.388 1.680 -13.100 1.00 0.00 H new ATOM 0 HE ARG A 89 -5.953 3.518 -13.824 1.00 0.00 H new ATOM 0 HH11 ARG A 89 -3.401 2.054 -14.519 1.00 0.00 H new ATOM 0 HH12 ARG A 89 -2.385 2.584 -13.175 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -4.987 3.643 -11.256 1.00 0.00 H new ATOM 0 HH22 ARG A 89 -3.239 3.440 -11.418 1.00 0.00 H new ATOM 1282 N ILE A 90 -8.134 -1.804 -9.208 1.00 0.00 N ATOM 1283 CA ILE A 90 -7.827 -2.462 -7.899 1.00 0.00 C ATOM 1284 C ILE A 90 -8.934 -3.487 -7.579 1.00 0.00 C ATOM 1285 O ILE A 90 -9.981 -3.461 -8.194 1.00 0.00 O ATOM 1286 CB ILE A 90 -7.742 -1.358 -6.866 1.00 0.00 C ATOM 1287 CG1 ILE A 90 -6.417 -0.607 -7.164 1.00 0.00 C ATOM 1288 CG2 ILE A 90 -7.844 -1.917 -5.451 1.00 0.00 C ATOM 1289 CD1 ILE A 90 -6.095 0.338 -6.031 1.00 0.00 C ATOM 0 H ILE A 90 -9.100 -1.488 -9.292 1.00 0.00 H new ATOM 0 HA ILE A 90 -6.885 -3.010 -7.915 1.00 0.00 H new ATOM 0 HB ILE A 90 -8.576 -0.659 -6.927 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -5.605 -1.322 -7.294 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -6.506 -0.052 -8.098 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -7.780 -1.101 -4.732 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -8.797 -2.432 -5.331 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -7.028 -2.619 -5.277 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -5.164 0.861 -6.247 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -6.902 1.063 -5.921 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -5.987 -0.227 -5.105 1.00 0.00 H new ATOM 1301 N TYR A 91 -8.694 -4.340 -6.619 1.00 0.00 N ATOM 1302 CA TYR A 91 -9.709 -5.379 -6.249 1.00 0.00 C ATOM 1303 C TYR A 91 -10.124 -5.219 -4.771 1.00 0.00 C ATOM 1304 O TYR A 91 -11.264 -4.862 -4.499 1.00 0.00 O ATOM 1305 CB TYR A 91 -9.045 -6.762 -6.515 1.00 0.00 C ATOM 1306 CG TYR A 91 -8.220 -6.718 -7.822 1.00 0.00 C ATOM 1307 CD1 TYR A 91 -8.840 -6.601 -9.047 1.00 0.00 C ATOM 1308 CD2 TYR A 91 -6.834 -6.785 -7.784 1.00 0.00 C ATOM 1309 CE1 TYR A 91 -8.092 -6.551 -10.209 1.00 0.00 C ATOM 1310 CE2 TYR A 91 -6.092 -6.735 -8.954 1.00 0.00 C ATOM 1311 CZ TYR A 91 -6.724 -6.617 -10.170 1.00 0.00 C ATOM 1312 OH TYR A 91 -6.023 -6.562 -11.357 1.00 0.00 O ATOM 1313 OXT TYR A 91 -9.252 -5.460 -3.958 1.00 0.00 O ATOM 0 H TYR A 91 -7.835 -4.365 -6.070 1.00 0.00 H new ATOM 0 HA TYR A 91 -10.620 -5.279 -6.838 1.00 0.00 H new ATOM 0 HB2 TYR A 91 -8.400 -7.030 -5.678 1.00 0.00 H new ATOM 0 HB3 TYR A 91 -9.812 -7.534 -6.587 1.00 0.00 H new ATOM 0 HD1 TYR A 91 -9.917 -6.548 -9.100 1.00 0.00 H new ATOM 0 HD2 TYR A 91 -6.329 -6.877 -6.834 1.00 0.00 H new ATOM 0 HE1 TYR A 91 -8.593 -6.459 -11.161 1.00 0.00 H new ATOM 0 HE2 TYR A 91 -5.014 -6.789 -8.911 1.00 0.00 H new ATOM 0 HH TYR A 91 -5.148 -6.150 -11.201 1.00 0.00 H new