USER MOD reduce.3.24.130724 H: found=0, std=0, add=601, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 591 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 39 CYS SG : rot 81:sc= 1.13 USER MOD Set 1.2: A 41 HIS : no HD1:sc= -4.77! C(o=-2.6!,f=-11!) USER MOD Set 1.3: A 114 CYS SG : rot 149:sc= 0.94 USER MOD Set 1.4: A 117 CYS SG : rot 126:sc= 0.0547 USER MOD Set 2.1: A 106 ASN : amide:sc= -1.14 K(o=-1.1,f=-8.3!) USER MOD Set 2.2: A 109 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: A 74 CYS SG : rot 90:sc= -1.64 USER MOD Set 3.2: A 79 CYS SG : rot -146:sc= -0.138 USER MOD Set 3.3: A 95 HIS : no HE2:sc= -0.862 K(o=-4.8,f=-6) USER MOD Set 3.4: A 99 THR OG1 : rot 157:sc= 0.309 USER MOD Set 3.5: A 101 HIS : no HE2:sc= -2.43 K(o=-4.8,f=-11) USER MOD Set 4.1: A 96 SER OG : rot 172:sc= -0.0739 USER MOD Set 4.2: A 97 GLN : amide:sc= -8.13! C(o=-8.2!,f=-10!) USER MOD Set 5.1: A 93 THR OG1 : rot -19:sc= 0.909 USER MOD Set 5.2: A 115 TYR OH : rot 150:sc= 0.721 USER MOD Set 6.1: A 61 CYS SG : rot 148:sc= -0.658 USER MOD Set 6.2: A 64 CYS SG : rot -30:sc= 0.0759 USER MOD Set 6.3: A 84 CYS SG : rot -124:sc= -0.232 USER MOD Set 6.4: A 91 HIS : no HE2:sc= -1.99 K(o=-2.8,f=-4.3) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ -166:sc= -0.0108 (180deg=-0.285) USER MOD Single : A 55 GLN : amide:sc= -0.0743 X(o=-0.074,f=-0.49) USER MOD Single : A 56 LYS NZ :NH3+ -157:sc= -1.41 (180deg=-3.77!) USER MOD Single : A 57 SER OG : rot -27:sc= 1.11 USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 GLN : amide:sc= -2.18 K(o=-2.2,f=-6.9!) USER MOD Single : A 65 LYS NZ :NH3+ -147:sc= -0.406 (180deg=-1.66!) USER MOD Single : A 77 ASN : amide:sc= -0.691 X(o=-0.69,f=-1!) USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 88 GLN : amide:sc= -0.711 K(o=-0.71,f=0) USER MOD Single : A 92 SER OG : rot -52:sc= -1.07 USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 TYR OH : rot 180:sc= -0.335 USER MOD Single : A 104 THR OG1 : rot 150:sc= -1.22 USER MOD Single : A 108 THR OG1 : rot 113:sc= 0.404 USER MOD Single : A 118 SER OG : rot 180:sc= -0.0488 USER MOD Single : A 119 LYS NZ :NH3+ -125:sc= 0.0126 (180deg=-0.000716) USER MOD ----------------------------------------------------------------- ATOM 59 N CYS A 39 15.803 0.688 3.993 1.00 0.00 N ATOM 60 CA CYS A 39 15.499 -0.436 3.115 1.00 0.00 C ATOM 61 C CYS A 39 15.532 0.002 1.646 1.00 0.00 C ATOM 62 O CYS A 39 15.027 1.071 1.296 1.00 0.00 O ATOM 63 CB CYS A 39 14.133 -1.035 3.486 1.00 0.00 C ATOM 64 SG CYS A 39 13.160 -1.648 2.090 1.00 0.00 S ATOM 0 HA CYS A 39 16.259 -1.206 3.247 1.00 0.00 H new ATOM 0 HB2 CYS A 39 14.291 -1.855 4.187 1.00 0.00 H new ATOM 0 HB3 CYS A 39 13.551 -0.276 4.009 1.00 0.00 H new ATOM 0 HG CYS A 39 13.575 -2.835 1.760 1.00 0.00 H new ATOM 69 N PRO A 40 16.135 -0.820 0.766 1.00 0.00 N ATOM 70 CA PRO A 40 16.242 -0.510 -0.666 1.00 0.00 C ATOM 71 C PRO A 40 14.897 -0.532 -1.388 1.00 0.00 C ATOM 72 O PRO A 40 14.602 0.353 -2.190 1.00 0.00 O ATOM 73 CB PRO A 40 17.151 -1.619 -1.203 1.00 0.00 C ATOM 74 CG PRO A 40 16.982 -2.746 -0.244 1.00 0.00 C ATOM 75 CD PRO A 40 16.767 -2.111 1.099 1.00 0.00 C ATOM 0 HA PRO A 40 16.624 0.498 -0.826 1.00 0.00 H new ATOM 0 HB2 PRO A 40 16.863 -1.912 -2.213 1.00 0.00 H new ATOM 0 HB3 PRO A 40 18.190 -1.291 -1.250 1.00 0.00 H new ATOM 0 HG2 PRO A 40 16.133 -3.371 -0.521 1.00 0.00 H new ATOM 0 HG3 PRO A 40 17.863 -3.388 -0.236 1.00 0.00 H new ATOM 0 HD2 PRO A 40 16.125 -2.721 1.734 1.00 0.00 H new ATOM 0 HD3 PRO A 40 17.707 -1.973 1.634 1.00 0.00 H new ATOM 83 N HIS A 41 14.087 -1.551 -1.109 1.00 0.00 N ATOM 84 CA HIS A 41 12.780 -1.687 -1.744 1.00 0.00 C ATOM 85 C HIS A 41 12.004 -0.370 -1.705 1.00 0.00 C ATOM 86 O HIS A 41 11.580 0.142 -2.742 1.00 0.00 O ATOM 87 CB HIS A 41 11.982 -2.797 -1.058 1.00 0.00 C ATOM 88 CG HIS A 41 12.769 -4.056 -0.844 1.00 0.00 C ATOM 89 ND1 HIS A 41 13.228 -4.412 0.401 1.00 0.00 N ATOM 90 CD2 HIS A 41 13.149 -4.997 -1.742 1.00 0.00 C ATOM 91 CE1 HIS A 41 13.873 -5.554 0.237 1.00 0.00 C ATOM 92 NE2 HIS A 41 13.852 -5.948 -1.046 1.00 0.00 N ATOM 0 H HIS A 41 14.313 -2.294 -0.448 1.00 0.00 H new ATOM 0 HA HIS A 41 12.934 -1.950 -2.790 1.00 0.00 H new ATOM 0 HB2 HIS A 41 11.624 -2.434 -0.095 1.00 0.00 H new ATOM 0 HB3 HIS A 41 11.102 -3.026 -1.659 1.00 0.00 H new ATOM 0 HD2 HIS A 41 12.939 -4.998 -2.801 1.00 0.00 H new ATOM 0 HE1 HIS A 41 14.355 -6.101 1.034 1.00 0.00 H new ATOM 0 HE2 HIS A 41 14.277 -6.792 -1.430 1.00 0.00 H new ATOM 100 N LEU A 42 11.826 0.177 -0.507 1.00 0.00 N ATOM 101 CA LEU A 42 11.111 1.436 -0.334 1.00 0.00 C ATOM 102 C LEU A 42 11.974 2.617 -0.770 1.00 0.00 C ATOM 103 O LEU A 42 11.461 3.628 -1.248 1.00 0.00 O ATOM 104 CB LEU A 42 10.687 1.610 1.126 1.00 0.00 C ATOM 105 CG LEU A 42 11.835 1.635 2.135 1.00 0.00 C ATOM 106 CD1 LEU A 42 12.285 3.064 2.395 1.00 0.00 C ATOM 107 CD2 LEU A 42 11.417 0.962 3.434 1.00 0.00 C ATOM 0 H LEU A 42 12.169 -0.234 0.361 1.00 0.00 H new ATOM 0 HA LEU A 42 10.221 1.409 -0.962 1.00 0.00 H new ATOM 0 HB2 LEU A 42 10.124 2.539 1.217 1.00 0.00 H new ATOM 0 HB3 LEU A 42 10.009 0.799 1.391 1.00 0.00 H new ATOM 0 HG LEU A 42 12.675 1.081 1.715 1.00 0.00 H new ATOM 0 HD11 LEU A 42 13.103 3.063 3.116 1.00 0.00 H new ATOM 0 HD12 LEU A 42 12.624 3.514 1.462 1.00 0.00 H new ATOM 0 HD13 LEU A 42 11.451 3.641 2.794 1.00 0.00 H new ATOM 0 HD21 LEU A 42 12.246 0.989 4.141 1.00 0.00 H new ATOM 0 HD22 LEU A 42 10.562 1.488 3.858 1.00 0.00 H new ATOM 0 HD23 LEU A 42 11.143 -0.074 3.235 1.00 0.00 H new ATOM 119 N ASP A 43 13.286 2.486 -0.601 1.00 0.00 N ATOM 120 CA ASP A 43 14.209 3.549 -0.982 1.00 0.00 C ATOM 121 C ASP A 43 14.113 3.850 -2.477 1.00 0.00 C ATOM 122 O ASP A 43 14.485 4.935 -2.924 1.00 0.00 O ATOM 123 CB ASP A 43 15.646 3.164 -0.618 1.00 0.00 C ATOM 124 CG ASP A 43 16.648 4.241 -0.987 1.00 0.00 C ATOM 125 OD1 ASP A 43 16.448 5.403 -0.580 1.00 0.00 O ATOM 126 OD2 ASP A 43 17.633 3.919 -1.685 1.00 0.00 O ATOM 0 H ASP A 43 13.732 1.659 -0.205 1.00 0.00 H new ATOM 0 HA ASP A 43 13.931 4.448 -0.432 1.00 0.00 H new ATOM 0 HB2 ASP A 43 15.706 2.968 0.453 1.00 0.00 H new ATOM 0 HB3 ASP A 43 15.910 2.237 -1.127 1.00 0.00 H new ATOM 131 N SER A 44 13.617 2.883 -3.247 1.00 0.00 N ATOM 132 CA SER A 44 13.483 3.052 -4.691 1.00 0.00 C ATOM 133 C SER A 44 12.146 3.697 -5.051 1.00 0.00 C ATOM 134 O SER A 44 12.087 4.588 -5.900 1.00 0.00 O ATOM 135 CB SER A 44 13.614 1.701 -5.396 1.00 0.00 C ATOM 136 OG SER A 44 14.312 1.831 -6.623 1.00 0.00 O ATOM 0 H SER A 44 13.303 1.978 -2.896 1.00 0.00 H new ATOM 0 HA SER A 44 14.283 3.713 -5.026 1.00 0.00 H new ATOM 0 HB2 SER A 44 14.139 0.999 -4.748 1.00 0.00 H new ATOM 0 HB3 SER A 44 12.623 1.286 -5.580 1.00 0.00 H new ATOM 0 HG SER A 44 14.384 0.953 -7.053 1.00 0.00 H new ATOM 142 N VAL A 45 11.076 3.244 -4.406 1.00 0.00 N ATOM 143 CA VAL A 45 9.744 3.783 -4.665 1.00 0.00 C ATOM 144 C VAL A 45 9.592 5.180 -4.074 1.00 0.00 C ATOM 145 O VAL A 45 9.823 5.389 -2.883 1.00 0.00 O ATOM 146 CB VAL A 45 8.641 2.872 -4.096 1.00 0.00 C ATOM 147 CG1 VAL A 45 8.652 1.519 -4.788 1.00 0.00 C ATOM 148 CG2 VAL A 45 8.800 2.708 -2.592 1.00 0.00 C ATOM 0 H VAL A 45 11.104 2.507 -3.702 1.00 0.00 H new ATOM 0 HA VAL A 45 9.633 3.835 -5.748 1.00 0.00 H new ATOM 0 HB VAL A 45 7.678 3.345 -4.286 1.00 0.00 H new ATOM 0 HG11 VAL A 45 7.865 0.891 -4.371 1.00 0.00 H new ATOM 0 HG12 VAL A 45 8.480 1.655 -5.856 1.00 0.00 H new ATOM 0 HG13 VAL A 45 9.619 1.040 -4.634 1.00 0.00 H new ATOM 0 HG21 VAL A 45 8.010 2.061 -2.211 1.00 0.00 H new ATOM 0 HG22 VAL A 45 9.771 2.262 -2.375 1.00 0.00 H new ATOM 0 HG23 VAL A 45 8.733 3.684 -2.111 1.00 0.00 H new ATOM 158 N GLY A 46 9.206 6.134 -4.915 1.00 0.00 N ATOM 159 CA GLY A 46 9.032 7.501 -4.459 1.00 0.00 C ATOM 160 C GLY A 46 7.959 7.626 -3.395 1.00 0.00 C ATOM 161 O GLY A 46 7.718 6.688 -2.634 1.00 0.00 O ATOM 0 H GLY A 46 9.010 5.985 -5.905 1.00 0.00 H new ATOM 0 HA2 GLY A 46 9.977 7.871 -4.062 1.00 0.00 H new ATOM 0 HA3 GLY A 46 8.773 8.134 -5.308 1.00 0.00 H new ATOM 165 N GLU A 47 7.315 8.787 -3.339 1.00 0.00 N ATOM 166 CA GLU A 47 6.263 9.032 -2.358 1.00 0.00 C ATOM 167 C GLU A 47 4.945 9.380 -3.043 1.00 0.00 C ATOM 168 O GLU A 47 4.930 10.001 -4.105 1.00 0.00 O ATOM 169 CB GLU A 47 6.673 10.163 -1.414 1.00 0.00 C ATOM 170 CG GLU A 47 6.211 9.957 0.019 1.00 0.00 C ATOM 171 CD GLU A 47 6.860 10.927 0.988 1.00 0.00 C ATOM 172 OE1 GLU A 47 7.329 10.476 2.053 1.00 0.00 O ATOM 173 OE2 GLU A 47 6.899 12.136 0.679 1.00 0.00 O ATOM 0 H GLU A 47 7.503 9.573 -3.961 1.00 0.00 H new ATOM 0 HA GLU A 47 6.120 8.118 -1.782 1.00 0.00 H new ATOM 0 HB2 GLU A 47 7.759 10.260 -1.427 1.00 0.00 H new ATOM 0 HB3 GLU A 47 6.265 11.102 -1.787 1.00 0.00 H new ATOM 0 HG2 GLU A 47 5.128 10.071 0.067 1.00 0.00 H new ATOM 0 HG3 GLU A 47 6.438 8.936 0.326 1.00 0.00 H new ATOM 180 N ILE A 48 3.841 8.976 -2.423 1.00 0.00 N ATOM 181 CA ILE A 48 2.514 9.243 -2.966 1.00 0.00 C ATOM 182 C ILE A 48 2.038 10.639 -2.579 1.00 0.00 C ATOM 183 O ILE A 48 2.325 11.122 -1.483 1.00 0.00 O ATOM 184 CB ILE A 48 1.488 8.202 -2.475 1.00 0.00 C ATOM 185 CG1 ILE A 48 0.135 8.423 -3.154 1.00 0.00 C ATOM 186 CG2 ILE A 48 1.346 8.266 -0.962 1.00 0.00 C ATOM 187 CD1 ILE A 48 -0.784 7.223 -3.075 1.00 0.00 C ATOM 0 H ILE A 48 3.839 8.461 -1.542 1.00 0.00 H new ATOM 0 HA ILE A 48 2.592 9.177 -4.051 1.00 0.00 H new ATOM 0 HB ILE A 48 1.848 7.209 -2.743 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -0.358 9.279 -2.693 1.00 0.00 H new ATOM 0 HG13 ILE A 48 0.300 8.676 -4.201 1.00 0.00 H new ATOM 0 HG21 ILE A 48 0.618 7.524 -0.633 1.00 0.00 H new ATOM 0 HG22 ILE A 48 2.310 8.059 -0.497 1.00 0.00 H new ATOM 0 HG23 ILE A 48 1.008 9.260 -0.670 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -1.724 7.451 -3.577 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -0.311 6.370 -3.561 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -0.979 6.983 -2.030 1.00 0.00 H new ATOM 199 N THR A 49 1.310 11.285 -3.484 1.00 0.00 N ATOM 200 CA THR A 49 0.798 12.627 -3.233 1.00 0.00 C ATOM 201 C THR A 49 -0.475 12.577 -2.395 1.00 0.00 C ATOM 202 O THR A 49 -1.149 11.549 -2.328 1.00 0.00 O ATOM 203 CB THR A 49 0.523 13.346 -4.555 1.00 0.00 C ATOM 204 OG1 THR A 49 -0.347 12.581 -5.369 1.00 0.00 O ATOM 205 CG2 THR A 49 1.776 13.625 -5.357 1.00 0.00 C ATOM 0 H THR A 49 1.062 10.902 -4.396 1.00 0.00 H new ATOM 0 HA THR A 49 1.556 13.179 -2.677 1.00 0.00 H new ATOM 0 HB THR A 49 0.070 14.298 -4.278 1.00 0.00 H new ATOM 0 HG1 THR A 49 -0.513 13.058 -6.209 1.00 0.00 H new ATOM 0 HG21 THR A 49 1.510 14.136 -6.282 1.00 0.00 H new ATOM 0 HG22 THR A 49 2.448 14.255 -4.775 1.00 0.00 H new ATOM 0 HG23 THR A 49 2.274 12.685 -5.593 1.00 0.00 H new ATOM 213 N LYS A 50 -0.800 13.699 -1.759 1.00 0.00 N ATOM 214 CA LYS A 50 -1.994 13.787 -0.928 1.00 0.00 C ATOM 215 C LYS A 50 -3.252 13.592 -1.765 1.00 0.00 C ATOM 216 O LYS A 50 -4.250 13.051 -1.289 1.00 0.00 O ATOM 217 CB LYS A 50 -2.045 15.139 -0.213 1.00 0.00 C ATOM 218 CG LYS A 50 -2.026 16.328 -1.161 1.00 0.00 C ATOM 219 CD LYS A 50 -1.001 17.367 -0.736 1.00 0.00 C ATOM 220 CE LYS A 50 0.381 17.041 -1.279 1.00 0.00 C ATOM 221 NZ LYS A 50 1.179 16.230 -0.317 1.00 0.00 N ATOM 0 H LYS A 50 -0.253 14.559 -1.804 1.00 0.00 H new ATOM 0 HA LYS A 50 -1.949 12.993 -0.183 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -2.948 15.185 0.396 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -1.197 15.213 0.467 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -1.800 15.985 -2.171 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -3.015 16.784 -1.193 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -1.310 18.350 -1.091 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -0.963 17.418 0.352 1.00 0.00 H new ATOM 0 HE2 LYS A 50 0.283 16.497 -2.218 1.00 0.00 H new ATOM 0 HE3 LYS A 50 0.912 17.967 -1.501 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 2.177 16.228 -0.609 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 1.097 16.641 0.635 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 0.820 15.254 -0.305 1.00 0.00 H new ATOM 235 N GLU A 51 -3.197 14.035 -3.016 1.00 0.00 N ATOM 236 CA GLU A 51 -4.331 13.911 -3.923 1.00 0.00 C ATOM 237 C GLU A 51 -4.690 12.448 -4.153 1.00 0.00 C ATOM 238 O GLU A 51 -5.864 12.084 -4.181 1.00 0.00 O ATOM 239 CB GLU A 51 -4.018 14.588 -5.259 1.00 0.00 C ATOM 240 CG GLU A 51 -3.479 16.001 -5.114 1.00 0.00 C ATOM 241 CD GLU A 51 -2.018 16.112 -5.510 1.00 0.00 C ATOM 242 OE1 GLU A 51 -1.709 15.906 -6.702 1.00 0.00 O ATOM 243 OE2 GLU A 51 -1.185 16.405 -4.627 1.00 0.00 O ATOM 0 H GLU A 51 -2.378 14.484 -3.425 1.00 0.00 H new ATOM 0 HA GLU A 51 -5.186 14.406 -3.463 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -3.290 13.984 -5.801 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -4.924 14.614 -5.864 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -4.071 16.677 -5.731 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -3.597 16.327 -4.081 1.00 0.00 H new ATOM 250 N ASP A 52 -3.671 11.612 -4.320 1.00 0.00 N ATOM 251 CA ASP A 52 -3.885 10.188 -4.549 1.00 0.00 C ATOM 252 C ASP A 52 -4.351 9.493 -3.274 1.00 0.00 C ATOM 253 O ASP A 52 -5.301 8.712 -3.296 1.00 0.00 O ATOM 254 CB ASP A 52 -2.600 9.533 -5.061 1.00 0.00 C ATOM 255 CG ASP A 52 -2.592 9.382 -6.570 1.00 0.00 C ATOM 256 OD1 ASP A 52 -1.526 9.604 -7.183 1.00 0.00 O ATOM 257 OD2 ASP A 52 -3.650 9.040 -7.138 1.00 0.00 O ATOM 0 H ASP A 52 -2.691 11.895 -4.301 1.00 0.00 H new ATOM 0 HA ASP A 52 -4.665 10.082 -5.303 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -1.742 10.132 -4.754 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -2.486 8.552 -4.599 1.00 0.00 H new ATOM 262 N LEU A 53 -3.675 9.778 -2.165 1.00 0.00 N ATOM 263 CA LEU A 53 -4.022 9.172 -0.885 1.00 0.00 C ATOM 264 C LEU A 53 -5.427 9.571 -0.444 1.00 0.00 C ATOM 265 O LEU A 53 -6.120 8.798 0.217 1.00 0.00 O ATOM 266 CB LEU A 53 -3.003 9.564 0.190 1.00 0.00 C ATOM 267 CG LEU A 53 -1.637 8.879 0.073 1.00 0.00 C ATOM 268 CD1 LEU A 53 -0.700 9.375 1.165 1.00 0.00 C ATOM 269 CD2 LEU A 53 -1.786 7.366 0.144 1.00 0.00 C ATOM 0 H LEU A 53 -2.886 10.423 -2.127 1.00 0.00 H new ATOM 0 HA LEU A 53 -4.001 8.090 -1.016 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -2.855 10.643 0.152 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -3.424 9.334 1.169 1.00 0.00 H new ATOM 0 HG LEU A 53 -1.207 9.134 -0.895 1.00 0.00 H new ATOM 0 HD11 LEU A 53 0.266 8.879 1.068 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -0.566 10.452 1.068 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -1.128 9.149 2.142 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -0.805 6.899 0.059 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -2.238 7.089 1.096 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -2.422 7.024 -0.673 1.00 0.00 H new ATOM 281 N ILE A 54 -5.844 10.780 -0.809 1.00 0.00 N ATOM 282 CA ILE A 54 -7.170 11.268 -0.442 1.00 0.00 C ATOM 283 C ILE A 54 -8.260 10.309 -0.918 1.00 0.00 C ATOM 284 O ILE A 54 -9.211 10.021 -0.190 1.00 0.00 O ATOM 285 CB ILE A 54 -7.427 12.690 -1.005 1.00 0.00 C ATOM 286 CG1 ILE A 54 -8.188 13.534 0.019 1.00 0.00 C ATOM 287 CG2 ILE A 54 -8.187 12.644 -2.327 1.00 0.00 C ATOM 288 CD1 ILE A 54 -7.435 13.737 1.314 1.00 0.00 C ATOM 0 H ILE A 54 -5.287 11.437 -1.355 1.00 0.00 H new ATOM 0 HA ILE A 54 -7.204 11.321 0.646 1.00 0.00 H new ATOM 0 HB ILE A 54 -6.459 13.151 -1.199 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -8.411 14.507 -0.418 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -9.143 13.055 0.235 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -8.348 13.659 -2.690 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -7.607 12.084 -3.061 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -9.150 12.156 -2.176 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -8.035 14.344 1.992 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -7.235 12.769 1.774 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -6.492 14.244 1.111 1.00 0.00 H new ATOM 300 N GLN A 55 -8.110 9.815 -2.142 1.00 0.00 N ATOM 301 CA GLN A 55 -9.075 8.884 -2.715 1.00 0.00 C ATOM 302 C GLN A 55 -9.021 7.546 -1.994 1.00 0.00 C ATOM 303 O GLN A 55 -10.050 6.993 -1.611 1.00 0.00 O ATOM 304 CB GLN A 55 -8.807 8.691 -4.209 1.00 0.00 C ATOM 305 CG GLN A 55 -9.771 7.729 -4.885 1.00 0.00 C ATOM 306 CD GLN A 55 -9.196 7.119 -6.147 1.00 0.00 C ATOM 307 OE1 GLN A 55 -8.039 6.698 -6.177 1.00 0.00 O ATOM 308 NE2 GLN A 55 -10.002 7.068 -7.201 1.00 0.00 N ATOM 0 H GLN A 55 -7.329 10.044 -2.757 1.00 0.00 H new ATOM 0 HA GLN A 55 -10.073 9.304 -2.590 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -8.865 9.659 -4.707 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -7.789 8.324 -4.342 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -10.033 6.933 -4.188 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -10.694 8.256 -5.128 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -10.954 7.428 -7.133 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -9.669 6.669 -8.079 1.00 0.00 H new ATOM 317 N LYS A 56 -7.815 7.039 -1.800 1.00 0.00 N ATOM 318 CA LYS A 56 -7.629 5.773 -1.108 1.00 0.00 C ATOM 319 C LYS A 56 -8.103 5.896 0.336 1.00 0.00 C ATOM 320 O LYS A 56 -8.595 4.935 0.926 1.00 0.00 O ATOM 321 CB LYS A 56 -6.159 5.353 -1.147 1.00 0.00 C ATOM 322 CG LYS A 56 -5.494 5.586 -2.493 1.00 0.00 C ATOM 323 CD LYS A 56 -4.213 4.779 -2.629 1.00 0.00 C ATOM 324 CE LYS A 56 -3.533 5.035 -3.963 1.00 0.00 C ATOM 325 NZ LYS A 56 -2.117 4.572 -3.963 1.00 0.00 N ATOM 0 H LYS A 56 -6.951 7.483 -2.111 1.00 0.00 H new ATOM 0 HA LYS A 56 -8.220 5.008 -1.612 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -5.612 5.903 -0.381 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -6.085 4.296 -0.893 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -6.183 5.314 -3.292 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -5.271 6.646 -2.611 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -3.532 5.035 -1.817 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -4.439 3.717 -2.532 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -4.082 4.524 -4.754 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -3.566 6.101 -4.189 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -1.584 5.086 -4.694 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -1.692 4.755 -3.032 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -2.085 3.552 -4.164 1.00 0.00 H new ATOM 339 N SER A 57 -7.948 7.094 0.895 1.00 0.00 N ATOM 340 CA SER A 57 -8.356 7.361 2.268 1.00 0.00 C ATOM 341 C SER A 57 -9.877 7.362 2.410 1.00 0.00 C ATOM 342 O SER A 57 -10.398 7.334 3.525 1.00 0.00 O ATOM 343 CB SER A 57 -7.791 8.703 2.735 1.00 0.00 C ATOM 344 OG SER A 57 -8.592 9.780 2.282 1.00 0.00 O ATOM 0 H SER A 57 -7.541 7.896 0.414 1.00 0.00 H new ATOM 0 HA SER A 57 -7.958 6.562 2.893 1.00 0.00 H new ATOM 0 HB2 SER A 57 -7.737 8.719 3.824 1.00 0.00 H new ATOM 0 HB3 SER A 57 -6.773 8.822 2.363 1.00 0.00 H new ATOM 0 HG SER A 57 -9.048 9.523 1.454 1.00 0.00 H new ATOM 350 N LEU A 58 -10.591 7.393 1.286 1.00 0.00 N ATOM 351 CA LEU A 58 -12.051 7.398 1.323 1.00 0.00 C ATOM 352 C LEU A 58 -12.583 6.119 1.966 1.00 0.00 C ATOM 353 O LEU A 58 -13.725 6.073 2.421 1.00 0.00 O ATOM 354 CB LEU A 58 -12.624 7.555 -0.088 1.00 0.00 C ATOM 355 CG LEU A 58 -12.715 8.996 -0.593 1.00 0.00 C ATOM 356 CD1 LEU A 58 -13.128 9.024 -2.056 1.00 0.00 C ATOM 357 CD2 LEU A 58 -13.694 9.796 0.255 1.00 0.00 C ATOM 0 H LEU A 58 -10.188 7.415 0.349 1.00 0.00 H new ATOM 0 HA LEU A 58 -12.370 8.247 1.928 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -12.007 6.982 -0.780 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -13.621 7.115 -0.110 1.00 0.00 H new ATOM 0 HG LEU A 58 -11.730 9.455 -0.507 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -13.187 10.057 -2.398 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -12.391 8.486 -2.653 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -14.102 8.548 -2.168 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -13.747 10.819 -0.118 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -14.682 9.338 0.200 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -13.355 9.804 1.291 1.00 0.00 H new ATOM 369 N GLY A 59 -11.743 5.086 2.017 1.00 0.00 N ATOM 370 CA GLY A 59 -12.145 3.831 2.625 1.00 0.00 C ATOM 371 C GLY A 59 -12.793 2.871 1.645 1.00 0.00 C ATOM 372 O GLY A 59 -13.826 2.275 1.948 1.00 0.00 O ATOM 0 H GLY A 59 -10.792 5.098 1.648 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -11.271 3.353 3.067 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -12.842 4.036 3.438 1.00 0.00 H new ATOM 376 N THR A 60 -12.188 2.711 0.474 1.00 0.00 N ATOM 377 CA THR A 60 -12.720 1.805 -0.540 1.00 0.00 C ATOM 378 C THR A 60 -11.592 1.118 -1.304 1.00 0.00 C ATOM 379 O THR A 60 -10.592 1.747 -1.651 1.00 0.00 O ATOM 380 CB THR A 60 -13.620 2.567 -1.513 1.00 0.00 C ATOM 381 OG1 THR A 60 -12.874 3.529 -2.238 1.00 0.00 O ATOM 382 CG2 THR A 60 -14.761 3.289 -0.831 1.00 0.00 C ATOM 0 H THR A 60 -11.332 3.194 0.203 1.00 0.00 H new ATOM 0 HA THR A 60 -13.309 1.040 -0.034 1.00 0.00 H new ATOM 0 HB THR A 60 -14.036 1.809 -2.176 1.00 0.00 H new ATOM 0 HG1 THR A 60 -13.467 4.005 -2.856 1.00 0.00 H new ATOM 0 HG21 THR A 60 -15.361 3.809 -1.578 1.00 0.00 H new ATOM 0 HG22 THR A 60 -15.385 2.567 -0.303 1.00 0.00 H new ATOM 0 HG23 THR A 60 -14.361 4.011 -0.120 1.00 0.00 H new ATOM 390 N CYS A 61 -11.760 -0.175 -1.568 1.00 0.00 N ATOM 391 CA CYS A 61 -10.755 -0.940 -2.297 1.00 0.00 C ATOM 392 C CYS A 61 -10.974 -0.827 -3.801 1.00 0.00 C ATOM 393 O CYS A 61 -12.107 -0.888 -4.279 1.00 0.00 O ATOM 394 CB CYS A 61 -10.785 -2.410 -1.870 1.00 0.00 C ATOM 395 SG CYS A 61 -9.426 -3.396 -2.542 1.00 0.00 S ATOM 0 H CYS A 61 -12.580 -0.713 -1.289 1.00 0.00 H new ATOM 0 HA CYS A 61 -9.776 -0.525 -2.058 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -10.756 -2.463 -0.782 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -11.731 -2.850 -2.185 1.00 0.00 H new ATOM 0 HG CYS A 61 -9.111 -4.333 -1.698 1.00 0.00 H new ATOM 400 N GLN A 62 -9.885 -0.663 -4.545 1.00 0.00 N ATOM 401 CA GLN A 62 -9.963 -0.542 -5.995 1.00 0.00 C ATOM 402 C GLN A 62 -10.182 -1.904 -6.647 1.00 0.00 C ATOM 403 O GLN A 62 -10.861 -2.013 -7.668 1.00 0.00 O ATOM 404 CB GLN A 62 -8.688 0.102 -6.543 1.00 0.00 C ATOM 405 CG GLN A 62 -8.808 1.603 -6.750 1.00 0.00 C ATOM 406 CD GLN A 62 -7.534 2.218 -7.290 1.00 0.00 C ATOM 407 OE1 GLN A 62 -6.602 1.510 -7.670 1.00 0.00 O ATOM 408 NE2 GLN A 62 -7.487 3.545 -7.328 1.00 0.00 N ATOM 0 H GLN A 62 -8.939 -0.611 -4.167 1.00 0.00 H new ATOM 0 HA GLN A 62 -10.815 0.094 -6.235 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -7.865 -0.097 -5.856 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -8.432 -0.368 -7.492 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -9.627 1.807 -7.440 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -9.064 2.078 -5.803 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -8.283 4.093 -7.003 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -6.655 4.016 -7.683 1.00 0.00 H new ATOM 417 N ASP A 63 -9.600 -2.940 -6.052 1.00 0.00 N ATOM 418 CA ASP A 63 -9.731 -4.295 -6.575 1.00 0.00 C ATOM 419 C ASP A 63 -11.140 -4.834 -6.348 1.00 0.00 C ATOM 420 O ASP A 63 -11.798 -5.291 -7.282 1.00 0.00 O ATOM 421 CB ASP A 63 -8.707 -5.220 -5.914 1.00 0.00 C ATOM 422 CG ASP A 63 -7.299 -4.983 -6.426 1.00 0.00 C ATOM 423 OD1 ASP A 63 -6.862 -5.728 -7.328 1.00 0.00 O ATOM 424 OD2 ASP A 63 -6.634 -4.053 -5.924 1.00 0.00 O ATOM 0 H ASP A 63 -9.033 -2.867 -5.207 1.00 0.00 H new ATOM 0 HA ASP A 63 -9.543 -4.262 -7.648 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -8.728 -5.069 -4.835 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -8.987 -6.257 -6.096 1.00 0.00 H new ATOM 429 N CYS A 64 -11.595 -4.777 -5.102 1.00 0.00 N ATOM 430 CA CYS A 64 -12.926 -5.259 -4.749 1.00 0.00 C ATOM 431 C CYS A 64 -13.727 -4.172 -4.040 1.00 0.00 C ATOM 432 O CYS A 64 -13.274 -3.035 -3.914 1.00 0.00 O ATOM 433 CB CYS A 64 -12.823 -6.499 -3.859 1.00 0.00 C ATOM 434 SG CYS A 64 -11.984 -6.214 -2.283 1.00 0.00 S ATOM 0 H CYS A 64 -11.062 -4.401 -4.318 1.00 0.00 H new ATOM 0 HA CYS A 64 -13.446 -5.525 -5.669 1.00 0.00 H new ATOM 0 HB2 CYS A 64 -13.827 -6.874 -3.660 1.00 0.00 H new ATOM 0 HB3 CYS A 64 -12.293 -7.280 -4.404 1.00 0.00 H new ATOM 0 HG CYS A 64 -11.108 -5.264 -2.423 1.00 0.00 H new ATOM 439 N LYS A 65 -14.920 -4.530 -3.577 1.00 0.00 N ATOM 440 CA LYS A 65 -15.784 -3.585 -2.880 1.00 0.00 C ATOM 441 C LYS A 65 -15.725 -3.810 -1.373 1.00 0.00 C ATOM 442 O LYS A 65 -16.288 -4.776 -0.857 1.00 0.00 O ATOM 443 CB LYS A 65 -17.227 -3.720 -3.372 1.00 0.00 C ATOM 444 CG LYS A 65 -17.706 -5.160 -3.469 1.00 0.00 C ATOM 445 CD LYS A 65 -19.175 -5.235 -3.860 1.00 0.00 C ATOM 446 CE LYS A 65 -19.407 -6.241 -4.976 1.00 0.00 C ATOM 447 NZ LYS A 65 -18.449 -6.051 -6.101 1.00 0.00 N ATOM 0 H LYS A 65 -15.310 -5.468 -3.672 1.00 0.00 H new ATOM 0 HA LYS A 65 -15.429 -2.577 -3.095 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -17.885 -3.172 -2.697 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -17.313 -3.251 -4.352 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -17.105 -5.695 -4.204 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -17.558 -5.659 -2.511 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -19.770 -5.513 -2.990 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -19.518 -4.251 -4.180 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -19.307 -7.252 -4.581 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -20.427 -6.143 -5.347 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -18.914 -6.297 -6.998 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -18.142 -5.058 -6.131 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -17.622 -6.665 -5.960 1.00 0.00 H new ATOM 529 N LEU A 71 -7.214 0.038 5.224 1.00 0.00 N ATOM 530 CA LEU A 71 -7.012 -0.051 3.784 1.00 0.00 C ATOM 531 C LEU A 71 -5.547 0.192 3.431 1.00 0.00 C ATOM 532 O LEU A 71 -4.891 1.051 4.020 1.00 0.00 O ATOM 533 CB LEU A 71 -7.904 0.958 3.055 1.00 0.00 C ATOM 534 CG LEU A 71 -9.133 0.354 2.374 1.00 0.00 C ATOM 535 CD1 LEU A 71 -10.085 1.451 1.916 1.00 0.00 C ATOM 536 CD2 LEU A 71 -8.714 -0.518 1.199 1.00 0.00 C ATOM 0 HA LEU A 71 -7.285 -1.056 3.463 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -8.236 1.711 3.770 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -7.306 1.473 2.303 1.00 0.00 H new ATOM 0 HG LEU A 71 -9.656 -0.271 3.097 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -10.953 1.001 1.434 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -10.410 2.034 2.778 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -9.574 2.104 1.208 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -9.600 -0.940 0.725 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -8.168 0.086 0.474 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -8.073 -1.325 1.555 1.00 0.00 H new ATOM 548 N TRP A 72 -5.039 -0.575 2.473 1.00 0.00 N ATOM 549 CA TRP A 72 -3.649 -0.445 2.050 1.00 0.00 C ATOM 550 C TRP A 72 -3.554 0.127 0.640 1.00 0.00 C ATOM 551 O TRP A 72 -4.432 -0.093 -0.193 1.00 0.00 O ATOM 552 CB TRP A 72 -2.950 -1.803 2.112 1.00 0.00 C ATOM 553 CG TRP A 72 -2.930 -2.395 3.487 1.00 0.00 C ATOM 554 CD1 TRP A 72 -4.006 -2.812 4.217 1.00 0.00 C ATOM 555 CD2 TRP A 72 -1.776 -2.634 4.303 1.00 0.00 C ATOM 556 NE1 TRP A 72 -3.592 -3.296 5.434 1.00 0.00 N ATOM 557 CE2 TRP A 72 -2.228 -3.198 5.510 1.00 0.00 C ATOM 558 CE3 TRP A 72 -0.404 -2.426 4.127 1.00 0.00 C ATOM 559 CZ2 TRP A 72 -1.357 -3.556 6.537 1.00 0.00 C ATOM 560 CZ3 TRP A 72 0.458 -2.782 5.147 1.00 0.00 C ATOM 561 CH2 TRP A 72 -0.020 -3.342 6.337 1.00 0.00 C ATOM 0 H TRP A 72 -5.567 -1.292 1.975 1.00 0.00 H new ATOM 0 HA TRP A 72 -3.152 0.246 2.731 1.00 0.00 H new ATOM 0 HB2 TRP A 72 -3.451 -2.493 1.434 1.00 0.00 H new ATOM 0 HB3 TRP A 72 -1.926 -1.694 1.756 1.00 0.00 H new ATOM 0 HD1 TRP A 72 -5.033 -2.768 3.886 1.00 0.00 H new ATOM 0 HE1 TRP A 72 -4.201 -3.668 6.163 1.00 0.00 H new ATOM 0 HE3 TRP A 72 -0.026 -1.995 3.212 1.00 0.00 H new ATOM 0 HZ2 TRP A 72 -1.723 -3.987 7.457 1.00 0.00 H new ATOM 0 HZ3 TRP A 72 1.519 -2.625 5.023 1.00 0.00 H new ATOM 0 HH2 TRP A 72 0.681 -3.611 7.114 1.00 0.00 H new ATOM 572 N ALA A 73 -2.480 0.863 0.382 1.00 0.00 N ATOM 573 CA ALA A 73 -2.264 1.469 -0.925 1.00 0.00 C ATOM 574 C ALA A 73 -0.820 1.290 -1.377 1.00 0.00 C ATOM 575 O ALA A 73 0.106 1.369 -0.570 1.00 0.00 O ATOM 576 CB ALA A 73 -2.629 2.945 -0.887 1.00 0.00 C ATOM 0 H ALA A 73 -1.744 1.055 1.062 1.00 0.00 H new ATOM 0 HA ALA A 73 -2.909 0.966 -1.646 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -2.463 3.386 -1.870 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -3.678 3.053 -0.613 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -2.007 3.455 -0.151 1.00 0.00 H new ATOM 582 N CYS A 74 -0.632 1.049 -2.670 1.00 0.00 N ATOM 583 CA CYS A 74 0.704 0.860 -3.223 1.00 0.00 C ATOM 584 C CYS A 74 1.589 2.067 -2.926 1.00 0.00 C ATOM 585 O CYS A 74 1.163 3.212 -3.070 1.00 0.00 O ATOM 586 CB CYS A 74 0.629 0.619 -4.732 1.00 0.00 C ATOM 587 SG CYS A 74 2.172 0.013 -5.454 1.00 0.00 S ATOM 0 H CYS A 74 -1.386 0.980 -3.353 1.00 0.00 H new ATOM 0 HA CYS A 74 1.146 -0.016 -2.749 1.00 0.00 H new ATOM 0 HB2 CYS A 74 -0.164 -0.101 -4.936 1.00 0.00 H new ATOM 0 HB3 CYS A 74 0.349 1.550 -5.225 1.00 0.00 H new ATOM 0 HG CYS A 74 2.185 -1.287 -5.423 1.00 0.00 H new ATOM 592 N LEU A 75 2.819 1.801 -2.501 1.00 0.00 N ATOM 593 CA LEU A 75 3.763 2.863 -2.171 1.00 0.00 C ATOM 594 C LEU A 75 4.514 3.356 -3.408 1.00 0.00 C ATOM 595 O LEU A 75 5.125 4.424 -3.384 1.00 0.00 O ATOM 596 CB LEU A 75 4.756 2.374 -1.115 1.00 0.00 C ATOM 597 CG LEU A 75 5.682 3.452 -0.547 1.00 0.00 C ATOM 598 CD1 LEU A 75 4.940 4.312 0.465 1.00 0.00 C ATOM 599 CD2 LEU A 75 6.910 2.818 0.087 1.00 0.00 C ATOM 0 H LEU A 75 3.186 0.858 -2.377 1.00 0.00 H new ATOM 0 HA LEU A 75 3.193 3.702 -1.772 1.00 0.00 H new ATOM 0 HB2 LEU A 75 4.197 1.927 -0.293 1.00 0.00 H new ATOM 0 HB3 LEU A 75 5.368 1.585 -1.552 1.00 0.00 H new ATOM 0 HG LEU A 75 6.010 4.092 -1.366 1.00 0.00 H new ATOM 0 HD11 LEU A 75 5.613 5.073 0.859 1.00 0.00 H new ATOM 0 HD12 LEU A 75 4.091 4.794 -0.020 1.00 0.00 H new ATOM 0 HD13 LEU A 75 4.583 3.686 1.282 1.00 0.00 H new ATOM 0 HD21 LEU A 75 7.558 3.599 0.486 1.00 0.00 H new ATOM 0 HD22 LEU A 75 6.601 2.155 0.895 1.00 0.00 H new ATOM 0 HD23 LEU A 75 7.453 2.245 -0.665 1.00 0.00 H new ATOM 611 N GLU A 76 4.467 2.578 -4.488 1.00 0.00 N ATOM 612 CA GLU A 76 5.147 2.953 -5.725 1.00 0.00 C ATOM 613 C GLU A 76 4.682 4.325 -6.206 1.00 0.00 C ATOM 614 O GLU A 76 3.483 4.583 -6.309 1.00 0.00 O ATOM 615 CB GLU A 76 4.898 1.902 -6.809 1.00 0.00 C ATOM 616 CG GLU A 76 6.148 1.516 -7.581 1.00 0.00 C ATOM 617 CD GLU A 76 6.203 2.151 -8.957 1.00 0.00 C ATOM 618 OE1 GLU A 76 5.196 2.067 -9.690 1.00 0.00 O ATOM 619 OE2 GLU A 76 7.254 2.731 -9.301 1.00 0.00 O ATOM 0 H GLU A 76 3.968 1.689 -4.531 1.00 0.00 H new ATOM 0 HA GLU A 76 6.217 3.004 -5.523 1.00 0.00 H new ATOM 0 HB2 GLU A 76 4.476 1.009 -6.347 1.00 0.00 H new ATOM 0 HB3 GLU A 76 4.153 2.282 -7.508 1.00 0.00 H new ATOM 0 HG2 GLU A 76 7.029 1.814 -7.012 1.00 0.00 H new ATOM 0 HG3 GLU A 76 6.187 0.432 -7.684 1.00 0.00 H new ATOM 626 N ASN A 77 5.637 5.203 -6.493 1.00 0.00 N ATOM 627 CA ASN A 77 5.324 6.550 -6.956 1.00 0.00 C ATOM 628 C ASN A 77 4.582 6.517 -8.288 1.00 0.00 C ATOM 629 O ASN A 77 3.693 7.332 -8.535 1.00 0.00 O ATOM 630 CB ASN A 77 6.606 7.372 -7.094 1.00 0.00 C ATOM 631 CG ASN A 77 6.337 8.809 -7.461 1.00 0.00 C ATOM 632 OD1 ASN A 77 5.188 9.224 -7.619 1.00 0.00 O ATOM 633 ND2 ASN A 77 7.404 9.578 -7.598 1.00 0.00 N ATOM 0 H ASN A 77 6.635 5.006 -6.413 1.00 0.00 H new ATOM 0 HA ASN A 77 4.675 7.017 -6.216 1.00 0.00 H new ATOM 0 HB2 ASN A 77 7.158 7.338 -6.155 1.00 0.00 H new ATOM 0 HB3 ASN A 77 7.243 6.920 -7.854 1.00 0.00 H new ATOM 0 HD21 ASN A 77 7.295 10.562 -7.845 1.00 0.00 H new ATOM 0 HD22 ASN A 77 8.336 9.188 -7.457 1.00 0.00 H new ATOM 640 N ARG A 78 4.956 5.573 -9.144 1.00 0.00 N ATOM 641 CA ARG A 78 4.328 5.437 -10.453 1.00 0.00 C ATOM 642 C ARG A 78 3.039 4.623 -10.369 1.00 0.00 C ATOM 643 O ARG A 78 2.186 4.705 -11.253 1.00 0.00 O ATOM 644 CB ARG A 78 5.297 4.779 -11.438 1.00 0.00 C ATOM 645 CG ARG A 78 4.833 4.849 -12.886 1.00 0.00 C ATOM 646 CD ARG A 78 5.943 5.334 -13.805 1.00 0.00 C ATOM 647 NE ARG A 78 5.467 5.555 -15.169 1.00 0.00 N ATOM 648 CZ ARG A 78 6.113 6.295 -16.068 1.00 0.00 C ATOM 649 NH1 ARG A 78 7.259 6.884 -15.752 1.00 0.00 N ATOM 650 NH2 ARG A 78 5.611 6.446 -17.286 1.00 0.00 N ATOM 0 H ARG A 78 5.690 4.891 -8.955 1.00 0.00 H new ATOM 0 HA ARG A 78 4.076 6.436 -10.808 1.00 0.00 H new ATOM 0 HB2 ARG A 78 6.271 5.261 -11.353 1.00 0.00 H new ATOM 0 HB3 ARG A 78 5.433 3.734 -11.159 1.00 0.00 H new ATOM 0 HG2 ARG A 78 4.496 3.864 -13.209 1.00 0.00 H new ATOM 0 HG3 ARG A 78 3.977 5.519 -12.963 1.00 0.00 H new ATOM 0 HD2 ARG A 78 6.360 6.261 -13.412 1.00 0.00 H new ATOM 0 HD3 ARG A 78 6.750 4.601 -13.817 1.00 0.00 H new ATOM 0 HE ARG A 78 4.589 5.117 -15.448 1.00 0.00 H new ATOM 0 HH11 ARG A 78 7.649 6.771 -14.816 1.00 0.00 H new ATOM 0 HH12 ARG A 78 7.750 7.450 -16.445 1.00 0.00 H new ATOM 0 HH21 ARG A 78 4.730 5.995 -17.534 1.00 0.00 H new ATOM 0 HH22 ARG A 78 6.106 7.013 -17.975 1.00 0.00 H new ATOM 664 N CYS A 79 2.903 3.835 -9.307 1.00 0.00 N ATOM 665 CA CYS A 79 1.718 3.006 -9.118 1.00 0.00 C ATOM 666 C CYS A 79 0.780 3.613 -8.078 1.00 0.00 C ATOM 667 O CYS A 79 1.192 3.924 -6.961 1.00 0.00 O ATOM 668 CB CYS A 79 2.120 1.593 -8.690 1.00 0.00 C ATOM 669 SG CYS A 79 0.960 0.306 -9.205 1.00 0.00 S ATOM 0 H CYS A 79 3.598 3.753 -8.565 1.00 0.00 H new ATOM 0 HA CYS A 79 1.190 2.957 -10.070 1.00 0.00 H new ATOM 0 HB2 CYS A 79 3.103 1.366 -9.102 1.00 0.00 H new ATOM 0 HB3 CYS A 79 2.216 1.567 -7.604 1.00 0.00 H new ATOM 0 HG CYS A 79 0.926 -0.632 -8.306 1.00 0.00 H new ATOM 674 N SER A 80 -0.484 3.770 -8.454 1.00 0.00 N ATOM 675 CA SER A 80 -1.487 4.332 -7.556 1.00 0.00 C ATOM 676 C SER A 80 -2.703 3.414 -7.474 1.00 0.00 C ATOM 677 O SER A 80 -3.779 3.745 -7.971 1.00 0.00 O ATOM 678 CB SER A 80 -1.909 5.723 -8.032 1.00 0.00 C ATOM 679 OG SER A 80 -0.811 6.429 -8.582 1.00 0.00 O ATOM 0 H SER A 80 -0.839 3.516 -9.376 1.00 0.00 H new ATOM 0 HA SER A 80 -1.048 4.420 -6.562 1.00 0.00 H new ATOM 0 HB2 SER A 80 -2.697 5.631 -8.779 1.00 0.00 H new ATOM 0 HB3 SER A 80 -2.325 6.286 -7.197 1.00 0.00 H new ATOM 0 HG SER A 80 -1.108 7.314 -8.880 1.00 0.00 H new ATOM 685 N TYR A 81 -2.519 2.255 -6.850 1.00 0.00 N ATOM 686 CA TYR A 81 -3.597 1.283 -6.712 1.00 0.00 C ATOM 687 C TYR A 81 -4.018 1.127 -5.254 1.00 0.00 C ATOM 688 O TYR A 81 -3.198 1.232 -4.343 1.00 0.00 O ATOM 689 CB TYR A 81 -3.160 -0.070 -7.275 1.00 0.00 C ATOM 690 CG TYR A 81 -3.657 -0.329 -8.680 1.00 0.00 C ATOM 691 CD1 TYR A 81 -3.090 0.320 -9.768 1.00 0.00 C ATOM 692 CD2 TYR A 81 -4.697 -1.221 -8.915 1.00 0.00 C ATOM 693 CE1 TYR A 81 -3.544 0.086 -11.053 1.00 0.00 C ATOM 694 CE2 TYR A 81 -5.155 -1.460 -10.197 1.00 0.00 C ATOM 695 CZ TYR A 81 -4.576 -0.804 -11.262 1.00 0.00 C ATOM 696 OH TYR A 81 -5.029 -1.038 -12.540 1.00 0.00 O ATOM 0 H TYR A 81 -1.634 1.966 -6.432 1.00 0.00 H new ATOM 0 HA TYR A 81 -4.454 1.650 -7.276 1.00 0.00 H new ATOM 0 HB2 TYR A 81 -2.071 -0.123 -7.268 1.00 0.00 H new ATOM 0 HB3 TYR A 81 -3.522 -0.861 -6.619 1.00 0.00 H new ATOM 0 HD1 TYR A 81 -2.282 1.018 -9.609 1.00 0.00 H new ATOM 0 HD2 TYR A 81 -5.154 -1.735 -8.083 1.00 0.00 H new ATOM 0 HE1 TYR A 81 -3.092 0.598 -11.889 1.00 0.00 H new ATOM 0 HE2 TYR A 81 -5.963 -2.157 -10.363 1.00 0.00 H new ATOM 0 HH TYR A 81 -5.759 -1.692 -12.514 1.00 0.00 H new ATOM 706 N VAL A 82 -5.306 0.870 -5.045 1.00 0.00 N ATOM 707 CA VAL A 82 -5.845 0.691 -3.703 1.00 0.00 C ATOM 708 C VAL A 82 -6.224 -0.766 -3.461 1.00 0.00 C ATOM 709 O VAL A 82 -7.046 -1.330 -4.183 1.00 0.00 O ATOM 710 CB VAL A 82 -7.085 1.575 -3.470 1.00 0.00 C ATOM 711 CG1 VAL A 82 -7.474 1.574 -2.000 1.00 0.00 C ATOM 712 CG2 VAL A 82 -6.833 2.993 -3.962 1.00 0.00 C ATOM 0 H VAL A 82 -5.996 0.781 -5.791 1.00 0.00 H new ATOM 0 HA VAL A 82 -5.063 0.987 -3.004 1.00 0.00 H new ATOM 0 HB VAL A 82 -7.915 1.160 -4.042 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -8.352 2.204 -1.855 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -7.702 0.556 -1.685 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -6.647 1.962 -1.405 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -7.721 3.601 -3.788 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -5.988 3.421 -3.422 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -6.609 2.974 -5.029 1.00 0.00 H new ATOM 722 N GLY A 83 -5.616 -1.374 -2.448 1.00 0.00 N ATOM 723 CA GLY A 83 -5.904 -2.762 -2.141 1.00 0.00 C ATOM 724 C GLY A 83 -6.056 -3.016 -0.654 1.00 0.00 C ATOM 725 O GLY A 83 -5.648 -2.195 0.169 1.00 0.00 O ATOM 0 H GLY A 83 -4.931 -0.931 -1.836 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -6.820 -3.060 -2.651 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -5.103 -3.390 -2.532 1.00 0.00 H new ATOM 729 N CYS A 84 -6.638 -4.158 -0.308 1.00 0.00 N ATOM 730 CA CYS A 84 -6.836 -4.523 1.090 1.00 0.00 C ATOM 731 C CYS A 84 -5.811 -5.567 1.525 1.00 0.00 C ATOM 732 O CYS A 84 -5.544 -6.529 0.802 1.00 0.00 O ATOM 733 CB CYS A 84 -8.256 -5.051 1.317 1.00 0.00 C ATOM 734 SG CYS A 84 -8.803 -6.273 0.100 1.00 0.00 S ATOM 0 H CYS A 84 -6.981 -4.848 -0.976 1.00 0.00 H new ATOM 0 HA CYS A 84 -6.698 -3.627 1.695 1.00 0.00 H new ATOM 0 HB2 CYS A 84 -8.310 -5.496 2.310 1.00 0.00 H new ATOM 0 HB3 CYS A 84 -8.949 -4.210 1.306 1.00 0.00 H new ATOM 0 HG CYS A 84 -9.911 -5.873 -0.449 1.00 0.00 H new ATOM 739 N GLY A 85 -5.236 -5.363 2.705 1.00 0.00 N ATOM 740 CA GLY A 85 -4.238 -6.284 3.218 1.00 0.00 C ATOM 741 C GLY A 85 -4.792 -7.673 3.462 1.00 0.00 C ATOM 742 O GLY A 85 -5.876 -8.012 2.987 1.00 0.00 O ATOM 0 H GLY A 85 -5.444 -4.574 3.317 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -3.411 -6.347 2.511 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -3.832 -5.891 4.150 1.00 0.00 H new ATOM 746 N GLU A 86 -4.043 -8.479 4.209 1.00 0.00 N ATOM 747 CA GLU A 86 -4.456 -9.843 4.521 1.00 0.00 C ATOM 748 C GLU A 86 -5.714 -9.860 5.385 1.00 0.00 C ATOM 749 O GLU A 86 -6.363 -10.897 5.528 1.00 0.00 O ATOM 750 CB GLU A 86 -3.325 -10.588 5.231 1.00 0.00 C ATOM 751 CG GLU A 86 -1.989 -10.495 4.512 1.00 0.00 C ATOM 752 CD GLU A 86 -0.893 -11.272 5.216 1.00 0.00 C ATOM 753 OE1 GLU A 86 -1.111 -12.462 5.523 1.00 0.00 O ATOM 754 OE2 GLU A 86 0.185 -10.688 5.459 1.00 0.00 O ATOM 0 H GLU A 86 -3.145 -8.210 4.610 1.00 0.00 H new ATOM 0 HA GLU A 86 -4.684 -10.346 3.581 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -3.214 -10.188 6.239 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -3.601 -11.638 5.333 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -2.101 -10.872 3.495 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -1.695 -9.448 4.434 1.00 0.00 H new ATOM 761 N SER A 87 -6.057 -8.712 5.963 1.00 0.00 N ATOM 762 CA SER A 87 -7.237 -8.610 6.813 1.00 0.00 C ATOM 763 C SER A 87 -8.511 -8.915 6.027 1.00 0.00 C ATOM 764 O SER A 87 -9.552 -9.213 6.614 1.00 0.00 O ATOM 765 CB SER A 87 -7.328 -7.212 7.428 1.00 0.00 C ATOM 766 OG SER A 87 -6.396 -7.058 8.485 1.00 0.00 O ATOM 0 H SER A 87 -5.535 -7.842 5.858 1.00 0.00 H new ATOM 0 HA SER A 87 -7.141 -9.348 7.610 1.00 0.00 H new ATOM 0 HB2 SER A 87 -7.140 -6.461 6.661 1.00 0.00 H new ATOM 0 HB3 SER A 87 -8.338 -7.041 7.801 1.00 0.00 H new ATOM 0 HG SER A 87 -6.473 -6.156 8.860 1.00 0.00 H new ATOM 772 N GLN A 88 -8.427 -8.839 4.700 1.00 0.00 N ATOM 773 CA GLN A 88 -9.581 -9.108 3.850 1.00 0.00 C ATOM 774 C GLN A 88 -9.273 -10.199 2.828 1.00 0.00 C ATOM 775 O GLN A 88 -9.671 -11.352 3.000 1.00 0.00 O ATOM 776 CB GLN A 88 -10.027 -7.829 3.137 1.00 0.00 C ATOM 777 CG GLN A 88 -11.179 -7.119 3.829 1.00 0.00 C ATOM 778 CD GLN A 88 -12.534 -7.544 3.297 1.00 0.00 C ATOM 779 OE1 GLN A 88 -13.422 -6.716 3.095 1.00 0.00 O ATOM 780 NE2 GLN A 88 -12.701 -8.842 3.067 1.00 0.00 N ATOM 0 H GLN A 88 -7.576 -8.595 4.194 1.00 0.00 H new ATOM 0 HA GLN A 88 -10.391 -9.460 4.488 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -9.180 -7.147 3.067 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -10.323 -8.075 2.117 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -11.134 -7.321 4.899 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -11.065 -6.042 3.702 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -11.938 -9.494 3.248 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -13.592 -9.186 2.709 1.00 0.00 H new ATOM 789 N VAL A 89 -8.572 -9.830 1.758 1.00 0.00 N ATOM 790 CA VAL A 89 -8.226 -10.785 0.709 1.00 0.00 C ATOM 791 C VAL A 89 -6.744 -10.715 0.348 1.00 0.00 C ATOM 792 O VAL A 89 -6.335 -11.189 -0.712 1.00 0.00 O ATOM 793 CB VAL A 89 -9.059 -10.544 -0.565 1.00 0.00 C ATOM 794 CG1 VAL A 89 -8.894 -11.700 -1.539 1.00 0.00 C ATOM 795 CG2 VAL A 89 -10.526 -10.338 -0.217 1.00 0.00 C ATOM 0 H VAL A 89 -8.234 -8.881 1.595 1.00 0.00 H new ATOM 0 HA VAL A 89 -8.449 -11.775 1.107 1.00 0.00 H new ATOM 0 HB VAL A 89 -8.693 -9.637 -1.047 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -9.490 -11.511 -2.432 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -7.844 -11.795 -1.817 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -9.230 -12.624 -1.068 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -11.096 -10.169 -1.130 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -10.907 -11.224 0.291 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -10.626 -9.473 0.438 1.00 0.00 H new ATOM 805 N ASP A 90 -5.938 -10.124 1.228 1.00 0.00 N ATOM 806 CA ASP A 90 -4.501 -10.001 0.986 1.00 0.00 C ATOM 807 C ASP A 90 -4.231 -9.404 -0.394 1.00 0.00 C ATOM 808 O ASP A 90 -3.218 -9.707 -1.025 1.00 0.00 O ATOM 809 CB ASP A 90 -3.816 -11.368 1.099 1.00 0.00 C ATOM 810 CG ASP A 90 -4.478 -12.279 2.115 1.00 0.00 C ATOM 811 OD1 ASP A 90 -5.612 -12.733 1.856 1.00 0.00 O ATOM 812 OD2 ASP A 90 -3.863 -12.536 3.172 1.00 0.00 O ATOM 0 H ASP A 90 -6.253 -9.724 2.112 1.00 0.00 H new ATOM 0 HA ASP A 90 -4.091 -9.333 1.744 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -3.824 -11.854 0.123 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -2.771 -11.223 1.375 1.00 0.00 H new ATOM 817 N HIS A 91 -5.145 -8.553 -0.854 1.00 0.00 N ATOM 818 CA HIS A 91 -5.010 -7.915 -2.159 1.00 0.00 C ATOM 819 C HIS A 91 -3.661 -7.218 -2.286 1.00 0.00 C ATOM 820 O HIS A 91 -3.021 -7.270 -3.337 1.00 0.00 O ATOM 821 CB HIS A 91 -6.143 -6.909 -2.374 1.00 0.00 C ATOM 822 CG HIS A 91 -7.293 -7.461 -3.158 1.00 0.00 C ATOM 823 ND1 HIS A 91 -8.551 -6.915 -3.066 1.00 0.00 N ATOM 824 CD2 HIS A 91 -7.327 -8.506 -4.021 1.00 0.00 C ATOM 825 CE1 HIS A 91 -9.317 -7.632 -3.868 1.00 0.00 C ATOM 826 NE2 HIS A 91 -8.619 -8.609 -4.469 1.00 0.00 N ATOM 0 H HIS A 91 -5.987 -8.290 -0.342 1.00 0.00 H new ATOM 0 HA HIS A 91 -5.070 -8.688 -2.925 1.00 0.00 H new ATOM 0 HB2 HIS A 91 -6.505 -6.569 -1.404 1.00 0.00 H new ATOM 0 HB3 HIS A 91 -5.748 -6.034 -2.891 1.00 0.00 H new ATOM 0 HD1 HIS A 91 -8.835 -6.119 -2.495 1.00 0.00 H new ATOM 0 HD2 HIS A 91 -6.496 -9.136 -4.302 1.00 0.00 H new ATOM 0 HE1 HIS A 91 -10.371 -7.455 -4.021 1.00 0.00 H new ATOM 834 N SER A 92 -3.232 -6.572 -1.209 1.00 0.00 N ATOM 835 CA SER A 92 -1.954 -5.872 -1.202 1.00 0.00 C ATOM 836 C SER A 92 -0.810 -6.835 -1.506 1.00 0.00 C ATOM 837 O SER A 92 0.154 -6.478 -2.185 1.00 0.00 O ATOM 838 CB SER A 92 -1.722 -5.198 0.151 1.00 0.00 C ATOM 839 OG SER A 92 -2.848 -4.429 0.537 1.00 0.00 O ATOM 0 H SER A 92 -3.749 -6.518 -0.331 1.00 0.00 H new ATOM 0 HA SER A 92 -1.982 -5.107 -1.978 1.00 0.00 H new ATOM 0 HB2 SER A 92 -1.518 -5.955 0.908 1.00 0.00 H new ATOM 0 HB3 SER A 92 -0.842 -4.557 0.096 1.00 0.00 H new ATOM 0 HG SER A 92 -3.093 -3.819 -0.190 1.00 0.00 H new ATOM 845 N THR A 93 -0.928 -8.062 -1.006 1.00 0.00 N ATOM 846 CA THR A 93 0.094 -9.076 -1.229 1.00 0.00 C ATOM 847 C THR A 93 0.106 -9.516 -2.688 1.00 0.00 C ATOM 848 O THR A 93 1.150 -9.516 -3.340 1.00 0.00 O ATOM 849 CB THR A 93 -0.146 -10.283 -0.320 1.00 0.00 C ATOM 850 OG1 THR A 93 -0.273 -9.877 1.031 1.00 0.00 O ATOM 851 CG2 THR A 93 0.964 -11.311 -0.388 1.00 0.00 C ATOM 0 H THR A 93 -1.720 -8.376 -0.445 1.00 0.00 H new ATOM 0 HA THR A 93 1.064 -8.641 -0.989 1.00 0.00 H new ATOM 0 HB THR A 93 -1.067 -10.740 -0.682 1.00 0.00 H new ATOM 0 HG1 THR A 93 0.118 -8.985 1.143 1.00 0.00 H new ATOM 0 HG21 THR A 93 0.733 -12.141 0.280 1.00 0.00 H new ATOM 0 HG22 THR A 93 1.055 -11.681 -1.409 1.00 0.00 H new ATOM 0 HG23 THR A 93 1.904 -10.852 -0.083 1.00 0.00 H new ATOM 859 N ILE A 94 -1.064 -9.884 -3.199 1.00 0.00 N ATOM 860 CA ILE A 94 -1.182 -10.320 -4.586 1.00 0.00 C ATOM 861 C ILE A 94 -0.649 -9.251 -5.528 1.00 0.00 C ATOM 862 O ILE A 94 0.190 -9.526 -6.386 1.00 0.00 O ATOM 863 CB ILE A 94 -2.642 -10.641 -4.975 1.00 0.00 C ATOM 864 CG1 ILE A 94 -3.357 -11.373 -3.834 1.00 0.00 C ATOM 865 CG2 ILE A 94 -2.674 -11.470 -6.251 1.00 0.00 C ATOM 866 CD1 ILE A 94 -4.712 -11.931 -4.217 1.00 0.00 C ATOM 0 H ILE A 94 -1.940 -9.889 -2.677 1.00 0.00 H new ATOM 0 HA ILE A 94 -0.592 -11.232 -4.678 1.00 0.00 H new ATOM 0 HB ILE A 94 -3.168 -9.704 -5.157 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -2.724 -12.189 -3.486 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -3.481 -10.687 -2.996 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -3.708 -11.690 -6.516 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -2.204 -10.911 -7.060 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -2.133 -12.403 -6.092 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -5.155 -12.434 -3.357 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -5.363 -11.118 -4.536 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -4.595 -12.644 -5.033 1.00 0.00 H new ATOM 878 N HIS A 95 -1.133 -8.026 -5.354 1.00 0.00 N ATOM 879 CA HIS A 95 -0.694 -6.909 -6.182 1.00 0.00 C ATOM 880 C HIS A 95 0.818 -6.738 -6.077 1.00 0.00 C ATOM 881 O HIS A 95 1.491 -6.459 -7.069 1.00 0.00 O ATOM 882 CB HIS A 95 -1.400 -5.618 -5.760 1.00 0.00 C ATOM 883 CG HIS A 95 -0.876 -4.394 -6.451 1.00 0.00 C ATOM 884 ND1 HIS A 95 -1.563 -3.709 -7.429 1.00 0.00 N ATOM 885 CD2 HIS A 95 0.300 -3.736 -6.291 1.00 0.00 C ATOM 886 CE1 HIS A 95 -0.801 -2.681 -7.824 1.00 0.00 C ATOM 887 NE2 HIS A 95 0.341 -2.652 -7.163 1.00 0.00 N ATOM 0 H HIS A 95 -1.828 -7.782 -4.649 1.00 0.00 H new ATOM 0 HA HIS A 95 -0.954 -7.124 -7.218 1.00 0.00 H new ATOM 0 HB2 HIS A 95 -2.466 -5.713 -5.966 1.00 0.00 H new ATOM 0 HB3 HIS A 95 -1.293 -5.491 -4.683 1.00 0.00 H new ATOM 0 HD1 HIS A 95 -2.488 -3.943 -7.789 1.00 0.00 H new ATOM 0 HD2 HIS A 95 1.081 -4.010 -5.597 1.00 0.00 H new ATOM 0 HE1 HIS A 95 -1.084 -1.968 -8.585 1.00 0.00 H new ATOM 895 N SER A 96 1.344 -6.914 -4.869 1.00 0.00 N ATOM 896 CA SER A 96 2.776 -6.784 -4.635 1.00 0.00 C ATOM 897 C SER A 96 3.559 -7.755 -5.514 1.00 0.00 C ATOM 898 O SER A 96 4.576 -7.396 -6.100 1.00 0.00 O ATOM 899 CB SER A 96 3.099 -7.032 -3.159 1.00 0.00 C ATOM 900 OG SER A 96 4.461 -7.386 -2.983 1.00 0.00 O ATOM 0 H SER A 96 0.800 -7.147 -4.038 1.00 0.00 H new ATOM 0 HA SER A 96 3.072 -5.768 -4.895 1.00 0.00 H new ATOM 0 HB2 SER A 96 2.876 -6.136 -2.580 1.00 0.00 H new ATOM 0 HB3 SER A 96 2.461 -7.827 -2.773 1.00 0.00 H new ATOM 0 HG SER A 96 4.671 -7.411 -2.026 1.00 0.00 H new ATOM 906 N GLN A 97 3.083 -8.989 -5.608 1.00 0.00 N ATOM 907 CA GLN A 97 3.756 -9.993 -6.422 1.00 0.00 C ATOM 908 C GLN A 97 3.594 -9.687 -7.909 1.00 0.00 C ATOM 909 O GLN A 97 4.566 -9.697 -8.666 1.00 0.00 O ATOM 910 CB GLN A 97 3.205 -11.386 -6.111 1.00 0.00 C ATOM 911 CG GLN A 97 3.743 -11.976 -4.817 1.00 0.00 C ATOM 912 CD GLN A 97 3.176 -11.295 -3.587 1.00 0.00 C ATOM 913 OE1 GLN A 97 2.279 -11.823 -2.929 1.00 0.00 O ATOM 914 NE2 GLN A 97 3.696 -10.113 -3.271 1.00 0.00 N ATOM 0 H GLN A 97 2.241 -9.318 -5.135 1.00 0.00 H new ATOM 0 HA GLN A 97 4.818 -9.969 -6.179 1.00 0.00 H new ATOM 0 HB2 GLN A 97 2.118 -11.333 -6.053 1.00 0.00 H new ATOM 0 HB3 GLN A 97 3.448 -12.056 -6.935 1.00 0.00 H new ATOM 0 HG2 GLN A 97 3.507 -13.039 -4.781 1.00 0.00 H new ATOM 0 HG3 GLN A 97 4.830 -11.891 -4.807 1.00 0.00 H new ATOM 0 HE21 GLN A 97 4.438 -9.713 -3.845 1.00 0.00 H new ATOM 0 HE22 GLN A 97 3.353 -9.607 -2.455 1.00 0.00 H new ATOM 923 N GLU A 98 2.359 -9.418 -8.321 1.00 0.00 N ATOM 924 CA GLU A 98 2.054 -9.116 -9.719 1.00 0.00 C ATOM 925 C GLU A 98 2.986 -8.049 -10.292 1.00 0.00 C ATOM 926 O GLU A 98 3.536 -8.216 -11.380 1.00 0.00 O ATOM 927 CB GLU A 98 0.601 -8.658 -9.853 1.00 0.00 C ATOM 928 CG GLU A 98 -0.373 -9.796 -10.114 1.00 0.00 C ATOM 929 CD GLU A 98 -0.834 -9.851 -11.558 1.00 0.00 C ATOM 930 OE1 GLU A 98 -1.383 -8.839 -12.044 1.00 0.00 O ATOM 931 OE2 GLU A 98 -0.645 -10.904 -12.202 1.00 0.00 O ATOM 0 H GLU A 98 1.547 -9.403 -7.704 1.00 0.00 H new ATOM 0 HA GLU A 98 2.206 -10.032 -10.290 1.00 0.00 H new ATOM 0 HB2 GLU A 98 0.306 -8.140 -8.940 1.00 0.00 H new ATOM 0 HB3 GLU A 98 0.530 -7.936 -10.666 1.00 0.00 H new ATOM 0 HG2 GLU A 98 0.101 -10.742 -9.852 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -1.240 -9.683 -9.464 1.00 0.00 H new ATOM 938 N THR A 99 3.152 -6.949 -9.564 1.00 0.00 N ATOM 939 CA THR A 99 4.009 -5.858 -10.021 1.00 0.00 C ATOM 940 C THR A 99 5.326 -5.811 -9.251 1.00 0.00 C ATOM 941 O THR A 99 6.070 -4.835 -9.346 1.00 0.00 O ATOM 942 CB THR A 99 3.282 -4.521 -9.874 1.00 0.00 C ATOM 943 OG1 THR A 99 2.842 -4.334 -8.542 1.00 0.00 O ATOM 944 CG2 THR A 99 2.075 -4.392 -10.779 1.00 0.00 C ATOM 0 H THR A 99 2.708 -6.789 -8.660 1.00 0.00 H new ATOM 0 HA THR A 99 4.238 -6.040 -11.071 1.00 0.00 H new ATOM 0 HB THR A 99 4.012 -3.763 -10.159 1.00 0.00 H new ATOM 0 HG1 THR A 99 2.719 -3.377 -8.369 1.00 0.00 H new ATOM 0 HG21 THR A 99 1.606 -3.420 -10.624 1.00 0.00 H new ATOM 0 HG22 THR A 99 2.389 -4.482 -11.819 1.00 0.00 H new ATOM 0 HG23 THR A 99 1.360 -5.181 -10.546 1.00 0.00 H new ATOM 952 N LYS A 100 5.616 -6.861 -8.490 1.00 0.00 N ATOM 953 CA LYS A 100 6.848 -6.917 -7.713 1.00 0.00 C ATOM 954 C LYS A 100 6.957 -5.727 -6.757 1.00 0.00 C ATOM 955 O LYS A 100 8.050 -5.378 -6.309 1.00 0.00 O ATOM 956 CB LYS A 100 8.062 -6.950 -8.644 1.00 0.00 C ATOM 957 CG LYS A 100 8.208 -8.256 -9.409 1.00 0.00 C ATOM 958 CD LYS A 100 9.598 -8.851 -9.242 1.00 0.00 C ATOM 959 CE LYS A 100 9.896 -9.880 -10.320 1.00 0.00 C ATOM 960 NZ LYS A 100 11.076 -10.720 -9.974 1.00 0.00 N ATOM 0 H LYS A 100 5.017 -7.681 -8.395 1.00 0.00 H new ATOM 0 HA LYS A 100 6.826 -7.831 -7.119 1.00 0.00 H new ATOM 0 HB2 LYS A 100 7.986 -6.128 -9.356 1.00 0.00 H new ATOM 0 HB3 LYS A 100 8.964 -6.780 -8.057 1.00 0.00 H new ATOM 0 HG2 LYS A 100 7.462 -8.969 -9.058 1.00 0.00 H new ATOM 0 HG3 LYS A 100 8.011 -8.083 -10.467 1.00 0.00 H new ATOM 0 HD2 LYS A 100 10.342 -8.056 -9.281 1.00 0.00 H new ATOM 0 HD3 LYS A 100 9.680 -9.317 -8.260 1.00 0.00 H new ATOM 0 HE2 LYS A 100 9.025 -10.519 -10.463 1.00 0.00 H new ATOM 0 HE3 LYS A 100 10.077 -9.372 -11.267 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 11.246 -11.409 -10.734 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 11.913 -10.113 -9.863 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 10.893 -11.225 -9.083 1.00 0.00 H new ATOM 974 N HIS A 101 5.817 -5.120 -6.433 1.00 0.00 N ATOM 975 CA HIS A 101 5.784 -3.989 -5.515 1.00 0.00 C ATOM 976 C HIS A 101 5.685 -4.486 -4.077 1.00 0.00 C ATOM 977 O HIS A 101 4.595 -4.791 -3.590 1.00 0.00 O ATOM 978 CB HIS A 101 4.595 -3.076 -5.832 1.00 0.00 C ATOM 979 CG HIS A 101 4.638 -2.481 -7.205 1.00 0.00 C ATOM 980 ND1 HIS A 101 3.554 -1.824 -7.738 1.00 0.00 N ATOM 981 CD2 HIS A 101 5.649 -2.468 -8.106 1.00 0.00 C ATOM 982 CE1 HIS A 101 3.927 -1.428 -8.941 1.00 0.00 C ATOM 983 NE2 HIS A 101 5.190 -1.795 -9.210 1.00 0.00 N ATOM 0 H HIS A 101 4.904 -5.395 -6.795 1.00 0.00 H new ATOM 0 HA HIS A 101 6.705 -3.419 -5.635 1.00 0.00 H new ATOM 0 HB2 HIS A 101 3.672 -3.646 -5.722 1.00 0.00 H new ATOM 0 HB3 HIS A 101 4.562 -2.271 -5.098 1.00 0.00 H new ATOM 0 HD1 HIS A 101 2.648 -1.673 -7.295 1.00 0.00 H new ATOM 0 HD2 HIS A 101 6.629 -2.904 -7.980 1.00 0.00 H new ATOM 0 HE1 HIS A 101 3.295 -0.878 -9.623 1.00 0.00 H new ATOM 991 N TYR A 102 6.827 -4.579 -3.404 1.00 0.00 N ATOM 992 CA TYR A 102 6.865 -5.056 -2.024 1.00 0.00 C ATOM 993 C TYR A 102 6.719 -3.909 -1.028 1.00 0.00 C ATOM 994 O TYR A 102 7.184 -4.005 0.107 1.00 0.00 O ATOM 995 CB TYR A 102 8.175 -5.795 -1.756 1.00 0.00 C ATOM 996 CG TYR A 102 8.580 -6.744 -2.858 1.00 0.00 C ATOM 997 CD1 TYR A 102 9.691 -6.484 -3.648 1.00 0.00 C ATOM 998 CD2 TYR A 102 7.853 -7.899 -3.105 1.00 0.00 C ATOM 999 CE1 TYR A 102 10.066 -7.350 -4.657 1.00 0.00 C ATOM 1000 CE2 TYR A 102 8.221 -8.772 -4.110 1.00 0.00 C ATOM 1001 CZ TYR A 102 9.328 -8.494 -4.884 1.00 0.00 C ATOM 1002 OH TYR A 102 9.698 -9.359 -5.887 1.00 0.00 O ATOM 0 H TYR A 102 7.738 -4.331 -3.790 1.00 0.00 H new ATOM 0 HA TYR A 102 6.024 -5.736 -1.890 1.00 0.00 H new ATOM 0 HB2 TYR A 102 8.970 -5.064 -1.610 1.00 0.00 H new ATOM 0 HB3 TYR A 102 8.081 -6.354 -0.825 1.00 0.00 H new ATOM 0 HD1 TYR A 102 10.272 -5.591 -3.471 1.00 0.00 H new ATOM 0 HD2 TYR A 102 6.985 -8.119 -2.502 1.00 0.00 H new ATOM 0 HE1 TYR A 102 10.932 -7.133 -5.265 1.00 0.00 H new ATOM 0 HE2 TYR A 102 7.645 -9.668 -4.289 1.00 0.00 H new ATOM 0 HH TYR A 102 9.075 -10.115 -5.914 1.00 0.00 H new ATOM 1012 N LEU A 103 6.080 -2.825 -1.451 1.00 0.00 N ATOM 1013 CA LEU A 103 5.890 -1.671 -0.581 1.00 0.00 C ATOM 1014 C LEU A 103 4.427 -1.245 -0.548 1.00 0.00 C ATOM 1015 O LEU A 103 3.860 -0.856 -1.568 1.00 0.00 O ATOM 1016 CB LEU A 103 6.761 -0.506 -1.051 1.00 0.00 C ATOM 1017 CG LEU A 103 8.267 -0.730 -0.913 1.00 0.00 C ATOM 1018 CD1 LEU A 103 8.627 -1.075 0.524 1.00 0.00 C ATOM 1019 CD2 LEU A 103 8.734 -1.825 -1.860 1.00 0.00 C ATOM 0 H LEU A 103 5.686 -2.721 -2.386 1.00 0.00 H new ATOM 0 HA LEU A 103 6.187 -1.957 0.428 1.00 0.00 H new ATOM 0 HB2 LEU A 103 6.534 -0.301 -2.097 1.00 0.00 H new ATOM 0 HB3 LEU A 103 6.488 0.384 -0.485 1.00 0.00 H new ATOM 0 HG LEU A 103 8.777 0.195 -1.181 1.00 0.00 H new ATOM 0 HD11 LEU A 103 9.703 -1.231 0.602 1.00 0.00 H new ATOM 0 HD12 LEU A 103 8.330 -0.257 1.180 1.00 0.00 H new ATOM 0 HD13 LEU A 103 8.106 -1.985 0.821 1.00 0.00 H new ATOM 0 HD21 LEU A 103 9.808 -1.970 -1.747 1.00 0.00 H new ATOM 0 HD22 LEU A 103 8.216 -2.755 -1.625 1.00 0.00 H new ATOM 0 HD23 LEU A 103 8.513 -1.536 -2.887 1.00 0.00 H new ATOM 1031 N THR A 104 3.824 -1.320 0.633 1.00 0.00 N ATOM 1032 CA THR A 104 2.426 -0.937 0.797 1.00 0.00 C ATOM 1033 C THR A 104 2.235 -0.120 2.069 1.00 0.00 C ATOM 1034 O THR A 104 2.779 -0.455 3.121 1.00 0.00 O ATOM 1035 CB THR A 104 1.533 -2.179 0.832 1.00 0.00 C ATOM 1036 OG1 THR A 104 0.175 -1.815 0.996 1.00 0.00 O ATOM 1037 CG2 THR A 104 1.888 -3.142 1.944 1.00 0.00 C ATOM 0 H THR A 104 4.279 -1.641 1.488 1.00 0.00 H new ATOM 0 HA THR A 104 2.141 -0.321 -0.056 1.00 0.00 H new ATOM 0 HB THR A 104 1.696 -2.678 -0.123 1.00 0.00 H new ATOM 0 HG1 THR A 104 -0.397 -2.480 0.558 1.00 0.00 H new ATOM 0 HG21 THR A 104 1.216 -4.000 1.911 1.00 0.00 H new ATOM 0 HG22 THR A 104 2.916 -3.481 1.817 1.00 0.00 H new ATOM 0 HG23 THR A 104 1.788 -2.640 2.906 1.00 0.00 H new ATOM 1045 N VAL A 105 1.463 0.957 1.968 1.00 0.00 N ATOM 1046 CA VAL A 105 1.211 1.822 3.115 1.00 0.00 C ATOM 1047 C VAL A 105 -0.278 1.896 3.438 1.00 0.00 C ATOM 1048 O VAL A 105 -1.089 2.286 2.597 1.00 0.00 O ATOM 1049 CB VAL A 105 1.745 3.249 2.871 1.00 0.00 C ATOM 1050 CG1 VAL A 105 1.016 3.909 1.708 1.00 0.00 C ATOM 1051 CG2 VAL A 105 1.624 4.090 4.134 1.00 0.00 C ATOM 0 H VAL A 105 1.002 1.251 1.107 1.00 0.00 H new ATOM 0 HA VAL A 105 1.739 1.383 3.961 1.00 0.00 H new ATOM 0 HB VAL A 105 2.801 3.178 2.609 1.00 0.00 H new ATOM 0 HG11 VAL A 105 1.410 4.914 1.555 1.00 0.00 H new ATOM 0 HG12 VAL A 105 1.165 3.319 0.803 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -0.049 3.967 1.932 1.00 0.00 H new ATOM 0 HG21 VAL A 105 2.006 5.093 3.941 1.00 0.00 H new ATOM 0 HG22 VAL A 105 0.577 4.151 4.431 1.00 0.00 H new ATOM 0 HG23 VAL A 105 2.202 3.629 4.935 1.00 0.00 H new ATOM 1061 N ASN A 106 -0.627 1.527 4.666 1.00 0.00 N ATOM 1062 CA ASN A 106 -2.016 1.559 5.110 1.00 0.00 C ATOM 1063 C ASN A 106 -2.431 2.987 5.441 1.00 0.00 C ATOM 1064 O ASN A 106 -1.787 3.657 6.243 1.00 0.00 O ATOM 1065 CB ASN A 106 -2.214 0.657 6.331 1.00 0.00 C ATOM 1066 CG ASN A 106 -1.132 0.847 7.374 1.00 0.00 C ATOM 1067 OD1 ASN A 106 -1.006 1.916 7.970 1.00 0.00 O ATOM 1068 ND2 ASN A 106 -0.340 -0.196 7.599 1.00 0.00 N ATOM 0 H ASN A 106 0.033 1.202 5.372 1.00 0.00 H new ATOM 0 HA ASN A 106 -2.644 1.187 4.300 1.00 0.00 H new ATOM 0 HB2 ASN A 106 -3.186 0.865 6.778 1.00 0.00 H new ATOM 0 HB3 ASN A 106 -2.227 -0.385 6.011 1.00 0.00 H new ATOM 0 HD21 ASN A 106 0.408 -0.129 8.289 1.00 0.00 H new ATOM 0 HD22 ASN A 106 -0.480 -1.064 7.082 1.00 0.00 H new ATOM 1075 N LEU A 107 -3.497 3.452 4.806 1.00 0.00 N ATOM 1076 CA LEU A 107 -3.990 4.809 5.021 1.00 0.00 C ATOM 1077 C LEU A 107 -4.660 4.964 6.386 1.00 0.00 C ATOM 1078 O LEU A 107 -4.796 6.078 6.893 1.00 0.00 O ATOM 1079 CB LEU A 107 -4.973 5.188 3.914 1.00 0.00 C ATOM 1080 CG LEU A 107 -4.579 4.711 2.512 1.00 0.00 C ATOM 1081 CD1 LEU A 107 -5.699 3.895 1.885 1.00 0.00 C ATOM 1082 CD2 LEU A 107 -4.219 5.896 1.629 1.00 0.00 C ATOM 0 H LEU A 107 -4.040 2.909 4.135 1.00 0.00 H new ATOM 0 HA LEU A 107 -3.131 5.479 4.996 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -5.952 4.777 4.160 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -5.078 6.273 3.897 1.00 0.00 H new ATOM 0 HG LEU A 107 -3.702 4.069 2.602 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -5.397 3.567 0.890 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -5.907 3.024 2.507 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -6.597 4.508 1.808 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -3.942 5.540 0.637 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -5.077 6.563 1.548 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -3.380 6.436 2.068 1.00 0.00 H new ATOM 1094 N THR A 108 -5.093 3.851 6.970 1.00 0.00 N ATOM 1095 CA THR A 108 -5.765 3.884 8.267 1.00 0.00 C ATOM 1096 C THR A 108 -4.772 4.038 9.419 1.00 0.00 C ATOM 1097 O THR A 108 -5.120 4.561 10.478 1.00 0.00 O ATOM 1098 CB THR A 108 -6.600 2.616 8.459 1.00 0.00 C ATOM 1099 OG1 THR A 108 -7.277 2.278 7.262 1.00 0.00 O ATOM 1100 CG2 THR A 108 -7.639 2.745 9.552 1.00 0.00 C ATOM 0 H THR A 108 -4.992 2.919 6.569 1.00 0.00 H new ATOM 0 HA THR A 108 -6.420 4.755 8.277 1.00 0.00 H new ATOM 0 HB THR A 108 -5.889 1.841 8.745 1.00 0.00 H new ATOM 0 HG1 THR A 108 -6.914 1.440 6.906 1.00 0.00 H new ATOM 0 HG21 THR A 108 -8.196 1.812 9.636 1.00 0.00 H new ATOM 0 HG22 THR A 108 -7.145 2.960 10.500 1.00 0.00 H new ATOM 0 HG23 THR A 108 -8.325 3.556 9.308 1.00 0.00 H new ATOM 1108 N THR A 109 -3.540 3.580 9.215 1.00 0.00 N ATOM 1109 CA THR A 109 -2.513 3.673 10.251 1.00 0.00 C ATOM 1110 C THR A 109 -1.334 4.539 9.801 1.00 0.00 C ATOM 1111 O THR A 109 -0.457 4.868 10.600 1.00 0.00 O ATOM 1112 CB THR A 109 -2.017 2.276 10.633 1.00 0.00 C ATOM 1113 OG1 THR A 109 -2.902 1.279 10.155 1.00 0.00 O ATOM 1114 CG2 THR A 109 -1.872 2.080 12.127 1.00 0.00 C ATOM 0 H THR A 109 -3.229 3.143 8.348 1.00 0.00 H new ATOM 0 HA THR A 109 -2.966 4.147 11.122 1.00 0.00 H new ATOM 0 HB THR A 109 -1.034 2.185 10.172 1.00 0.00 H new ATOM 0 HG1 THR A 109 -2.566 0.394 10.408 1.00 0.00 H new ATOM 0 HG21 THR A 109 -1.517 1.069 12.329 1.00 0.00 H new ATOM 0 HG22 THR A 109 -1.156 2.801 12.521 1.00 0.00 H new ATOM 0 HG23 THR A 109 -2.838 2.228 12.609 1.00 0.00 H new ATOM 1122 N LEU A 110 -1.315 4.902 8.522 1.00 0.00 N ATOM 1123 CA LEU A 110 -0.243 5.723 7.971 1.00 0.00 C ATOM 1124 C LEU A 110 1.113 5.043 8.143 1.00 0.00 C ATOM 1125 O LEU A 110 2.138 5.710 8.282 1.00 0.00 O ATOM 1126 CB LEU A 110 -0.229 7.100 8.638 1.00 0.00 C ATOM 1127 CG LEU A 110 -1.198 8.120 8.034 1.00 0.00 C ATOM 1128 CD1 LEU A 110 -1.228 9.388 8.874 1.00 0.00 C ATOM 1129 CD2 LEU A 110 -0.811 8.440 6.595 1.00 0.00 C ATOM 0 H LEU A 110 -2.032 4.639 7.846 1.00 0.00 H new ATOM 0 HA LEU A 110 -0.430 5.848 6.904 1.00 0.00 H new ATOM 0 HB2 LEU A 110 -0.466 6.978 9.695 1.00 0.00 H new ATOM 0 HB3 LEU A 110 0.782 7.504 8.582 1.00 0.00 H new ATOM 0 HG LEU A 110 -2.197 7.685 8.031 1.00 0.00 H new ATOM 0 HD11 LEU A 110 -1.922 10.102 8.430 1.00 0.00 H new ATOM 0 HD12 LEU A 110 -1.554 9.147 9.886 1.00 0.00 H new ATOM 0 HD13 LEU A 110 -0.230 9.825 8.909 1.00 0.00 H new ATOM 0 HD21 LEU A 110 -1.511 9.167 6.183 1.00 0.00 H new ATOM 0 HD22 LEU A 110 0.197 8.854 6.573 1.00 0.00 H new ATOM 0 HD23 LEU A 110 -0.841 7.528 5.999 1.00 0.00 H new ATOM 1141 N ARG A 111 1.112 3.713 8.128 1.00 0.00 N ATOM 1142 CA ARG A 111 2.344 2.944 8.279 1.00 0.00 C ATOM 1143 C ARG A 111 2.668 2.174 7.001 1.00 0.00 C ATOM 1144 O ARG A 111 1.769 1.689 6.312 1.00 0.00 O ATOM 1145 CB ARG A 111 2.223 1.975 9.457 1.00 0.00 C ATOM 1146 CG ARG A 111 1.734 2.631 10.738 1.00 0.00 C ATOM 1147 CD ARG A 111 1.779 1.668 11.913 1.00 0.00 C ATOM 1148 NE ARG A 111 2.844 2.004 12.855 1.00 0.00 N ATOM 1149 CZ ARG A 111 2.879 1.580 14.117 1.00 0.00 C ATOM 1150 NH1 ARG A 111 1.913 0.803 14.591 1.00 0.00 N ATOM 1151 NH2 ARG A 111 3.883 1.933 14.907 1.00 0.00 N ATOM 0 H ARG A 111 0.272 3.145 8.013 1.00 0.00 H new ATOM 0 HA ARG A 111 3.157 3.643 8.474 1.00 0.00 H new ATOM 0 HB2 ARG A 111 1.538 1.171 9.186 1.00 0.00 H new ATOM 0 HB3 ARG A 111 3.195 1.517 9.641 1.00 0.00 H new ATOM 0 HG2 ARG A 111 2.349 3.503 10.958 1.00 0.00 H new ATOM 0 HG3 ARG A 111 0.714 2.988 10.598 1.00 0.00 H new ATOM 0 HD2 ARG A 111 0.820 1.682 12.430 1.00 0.00 H new ATOM 0 HD3 ARG A 111 1.928 0.653 11.545 1.00 0.00 H new ATOM 0 HE ARG A 111 3.605 2.598 12.527 1.00 0.00 H new ATOM 0 HH11 ARG A 111 1.138 0.527 13.988 1.00 0.00 H new ATOM 0 HH12 ARG A 111 1.946 0.482 15.558 1.00 0.00 H new ATOM 0 HH21 ARG A 111 4.629 2.529 14.548 1.00 0.00 H new ATOM 0 HH22 ARG A 111 3.910 1.608 15.874 1.00 0.00 H new ATOM 1165 N VAL A 112 3.956 2.067 6.689 1.00 0.00 N ATOM 1166 CA VAL A 112 4.399 1.358 5.492 1.00 0.00 C ATOM 1167 C VAL A 112 4.891 -0.047 5.830 1.00 0.00 C ATOM 1168 O VAL A 112 5.394 -0.292 6.926 1.00 0.00 O ATOM 1169 CB VAL A 112 5.525 2.123 4.772 1.00 0.00 C ATOM 1170 CG1 VAL A 112 5.835 1.481 3.429 1.00 0.00 C ATOM 1171 CG2 VAL A 112 5.147 3.586 4.597 1.00 0.00 C ATOM 0 H VAL A 112 4.712 2.462 7.248 1.00 0.00 H new ATOM 0 HA VAL A 112 3.535 1.287 4.831 1.00 0.00 H new ATOM 0 HB VAL A 112 6.424 2.073 5.387 1.00 0.00 H new ATOM 0 HG11 VAL A 112 6.633 2.036 2.936 1.00 0.00 H new ATOM 0 HG12 VAL A 112 6.152 0.450 3.583 1.00 0.00 H new ATOM 0 HG13 VAL A 112 4.942 1.496 2.804 1.00 0.00 H new ATOM 0 HG21 VAL A 112 5.954 4.112 4.087 1.00 0.00 H new ATOM 0 HG22 VAL A 112 4.235 3.658 4.004 1.00 0.00 H new ATOM 0 HG23 VAL A 112 4.981 4.038 5.575 1.00 0.00 H new ATOM 1181 N TRP A 113 4.739 -0.966 4.881 1.00 0.00 N ATOM 1182 CA TRP A 113 5.166 -2.348 5.076 1.00 0.00 C ATOM 1183 C TRP A 113 6.025 -2.829 3.909 1.00 0.00 C ATOM 1184 O TRP A 113 5.767 -2.492 2.751 1.00 0.00 O ATOM 1185 CB TRP A 113 3.947 -3.260 5.241 1.00 0.00 C ATOM 1186 CG TRP A 113 4.300 -4.710 5.389 1.00 0.00 C ATOM 1187 CD1 TRP A 113 4.366 -5.643 4.395 1.00 0.00 C ATOM 1188 CD2 TRP A 113 4.635 -5.392 6.603 1.00 0.00 C ATOM 1189 NE1 TRP A 113 4.721 -6.864 4.917 1.00 0.00 N ATOM 1190 CE2 TRP A 113 4.892 -6.735 6.270 1.00 0.00 C ATOM 1191 CE3 TRP A 113 4.744 -4.997 7.939 1.00 0.00 C ATOM 1192 CZ2 TRP A 113 5.251 -7.684 7.225 1.00 0.00 C ATOM 1193 CZ3 TRP A 113 5.099 -5.940 8.886 1.00 0.00 C ATOM 1194 CH2 TRP A 113 5.350 -7.269 8.524 1.00 0.00 C ATOM 0 H TRP A 113 4.323 -0.779 3.969 1.00 0.00 H new ATOM 0 HA TRP A 113 5.770 -2.390 5.983 1.00 0.00 H new ATOM 0 HB2 TRP A 113 3.380 -2.941 6.116 1.00 0.00 H new ATOM 0 HB3 TRP A 113 3.294 -3.140 4.377 1.00 0.00 H new ATOM 0 HD1 TRP A 113 4.168 -5.450 3.351 1.00 0.00 H new ATOM 0 HE1 TRP A 113 4.838 -7.726 4.384 1.00 0.00 H new ATOM 0 HE3 TRP A 113 4.554 -3.973 8.227 1.00 0.00 H new ATOM 0 HZ2 TRP A 113 5.444 -8.710 6.949 1.00 0.00 H new ATOM 0 HZ3 TRP A 113 5.184 -5.647 9.922 1.00 0.00 H new ATOM 0 HH2 TRP A 113 5.628 -7.981 9.287 1.00 0.00 H new ATOM 1205 N CYS A 114 7.046 -3.622 4.230 1.00 0.00 N ATOM 1206 CA CYS A 114 7.954 -4.163 3.224 1.00 0.00 C ATOM 1207 C CYS A 114 7.872 -5.690 3.184 1.00 0.00 C ATOM 1208 O CYS A 114 8.269 -6.367 4.133 1.00 0.00 O ATOM 1209 CB CYS A 114 9.389 -3.733 3.525 1.00 0.00 C ATOM 1210 SG CYS A 114 10.537 -4.008 2.160 1.00 0.00 S ATOM 0 H CYS A 114 7.265 -3.905 5.185 1.00 0.00 H new ATOM 0 HA CYS A 114 7.656 -3.772 2.251 1.00 0.00 H new ATOM 0 HB2 CYS A 114 9.394 -2.674 3.783 1.00 0.00 H new ATOM 0 HB3 CYS A 114 9.744 -4.276 4.401 1.00 0.00 H new ATOM 0 HG CYS A 114 11.473 -3.107 2.192 1.00 0.00 H new ATOM 1215 N TYR A 115 7.348 -6.223 2.082 1.00 0.00 N ATOM 1216 CA TYR A 115 7.209 -7.670 1.922 1.00 0.00 C ATOM 1217 C TYR A 115 8.568 -8.350 1.765 1.00 0.00 C ATOM 1218 O TYR A 115 8.807 -9.413 2.337 1.00 0.00 O ATOM 1219 CB TYR A 115 6.329 -7.994 0.711 1.00 0.00 C ATOM 1220 CG TYR A 115 4.850 -7.806 0.965 1.00 0.00 C ATOM 1221 CD1 TYR A 115 4.156 -8.664 1.809 1.00 0.00 C ATOM 1222 CD2 TYR A 115 4.147 -6.772 0.360 1.00 0.00 C ATOM 1223 CE1 TYR A 115 2.804 -8.497 2.042 1.00 0.00 C ATOM 1224 CE2 TYR A 115 2.795 -6.599 0.588 1.00 0.00 C ATOM 1225 CZ TYR A 115 2.130 -7.464 1.429 1.00 0.00 C ATOM 1226 OH TYR A 115 0.783 -7.295 1.659 1.00 0.00 O ATOM 0 H TYR A 115 7.013 -5.677 1.288 1.00 0.00 H new ATOM 0 HA TYR A 115 6.736 -8.054 2.826 1.00 0.00 H new ATOM 0 HB2 TYR A 115 6.628 -7.361 -0.124 1.00 0.00 H new ATOM 0 HB3 TYR A 115 6.508 -9.026 0.409 1.00 0.00 H new ATOM 0 HD1 TYR A 115 4.682 -9.475 2.291 1.00 0.00 H new ATOM 0 HD2 TYR A 115 4.666 -6.092 -0.300 1.00 0.00 H new ATOM 0 HE1 TYR A 115 2.279 -9.173 2.701 1.00 0.00 H new ATOM 0 HE2 TYR A 115 2.263 -5.790 0.110 1.00 0.00 H new ATOM 0 HH TYR A 115 0.555 -6.345 1.586 1.00 0.00 H new ATOM 1236 N ALA A 116 9.450 -7.737 0.982 1.00 0.00 N ATOM 1237 CA ALA A 116 10.779 -8.292 0.747 1.00 0.00 C ATOM 1238 C ALA A 116 11.548 -8.442 2.052 1.00 0.00 C ATOM 1239 O ALA A 116 12.056 -9.517 2.366 1.00 0.00 O ATOM 1240 CB ALA A 116 11.551 -7.416 -0.228 1.00 0.00 C ATOM 0 H ALA A 116 9.269 -6.857 0.500 1.00 0.00 H new ATOM 0 HA ALA A 116 10.661 -9.284 0.311 1.00 0.00 H new ATOM 0 HB1 ALA A 116 12.541 -7.842 -0.394 1.00 0.00 H new ATOM 0 HB2 ALA A 116 11.014 -7.365 -1.175 1.00 0.00 H new ATOM 0 HB3 ALA A 116 11.652 -6.413 0.186 1.00 0.00 H new ATOM 1246 N CYS A 117 11.620 -7.357 2.811 1.00 0.00 N ATOM 1247 CA CYS A 117 12.320 -7.363 4.087 1.00 0.00 C ATOM 1248 C CYS A 117 11.565 -8.215 5.102 1.00 0.00 C ATOM 1249 O CYS A 117 12.164 -8.808 6.000 1.00 0.00 O ATOM 1250 CB CYS A 117 12.479 -5.937 4.616 1.00 0.00 C ATOM 1251 SG CYS A 117 13.921 -5.066 3.957 1.00 0.00 S ATOM 0 H CYS A 117 11.201 -6.460 2.564 1.00 0.00 H new ATOM 0 HA CYS A 117 13.310 -7.792 3.934 1.00 0.00 H new ATOM 0 HB2 CYS A 117 11.581 -5.368 4.374 1.00 0.00 H new ATOM 0 HB3 CYS A 117 12.552 -5.969 5.703 1.00 0.00 H new ATOM 0 HG CYS A 117 13.543 -3.940 3.428 1.00 0.00 H new ATOM 1256 N SER A 118 10.243 -8.268 4.948 1.00 0.00 N ATOM 1257 CA SER A 118 9.388 -9.043 5.843 1.00 0.00 C ATOM 1258 C SER A 118 9.193 -8.314 7.168 1.00 0.00 C ATOM 1259 O SER A 118 9.449 -8.867 8.238 1.00 0.00 O ATOM 1260 CB SER A 118 9.979 -10.436 6.089 1.00 0.00 C ATOM 1261 OG SER A 118 10.515 -10.981 4.895 1.00 0.00 O ATOM 0 H SER A 118 9.739 -7.780 4.207 1.00 0.00 H new ATOM 0 HA SER A 118 8.416 -9.158 5.363 1.00 0.00 H new ATOM 0 HB2 SER A 118 10.760 -10.374 6.847 1.00 0.00 H new ATOM 0 HB3 SER A 118 9.207 -11.098 6.480 1.00 0.00 H new ATOM 0 HG SER A 118 10.887 -11.869 5.079 1.00 0.00 H new ATOM 1267 N LYS A 119 8.737 -7.068 7.088 1.00 0.00 N ATOM 1268 CA LYS A 119 8.507 -6.264 8.283 1.00 0.00 C ATOM 1269 C LYS A 119 7.889 -4.916 7.926 1.00 0.00 C ATOM 1270 O LYS A 119 7.645 -4.624 6.755 1.00 0.00 O ATOM 1271 CB LYS A 119 9.819 -6.052 9.042 1.00 0.00 C ATOM 1272 CG LYS A 119 10.958 -5.560 8.162 1.00 0.00 C ATOM 1273 CD LYS A 119 11.056 -4.042 8.172 1.00 0.00 C ATOM 1274 CE LYS A 119 12.443 -3.574 8.584 1.00 0.00 C ATOM 1275 NZ LYS A 119 12.404 -2.251 9.267 1.00 0.00 N ATOM 0 H LYS A 119 8.520 -6.594 6.211 1.00 0.00 H new ATOM 0 HA LYS A 119 7.808 -6.804 8.922 1.00 0.00 H new ATOM 0 HB2 LYS A 119 9.653 -5.332 9.844 1.00 0.00 H new ATOM 0 HB3 LYS A 119 10.113 -6.990 9.512 1.00 0.00 H new ATOM 0 HG2 LYS A 119 11.898 -5.988 8.509 1.00 0.00 H new ATOM 0 HG3 LYS A 119 10.807 -5.909 7.141 1.00 0.00 H new ATOM 0 HD2 LYS A 119 10.820 -3.655 7.181 1.00 0.00 H new ATOM 0 HD3 LYS A 119 10.314 -3.633 8.858 1.00 0.00 H new ATOM 0 HE2 LYS A 119 12.892 -4.312 9.248 1.00 0.00 H new ATOM 0 HE3 LYS A 119 13.081 -3.508 7.702 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 13.040 -1.589 8.778 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 11.433 -1.878 9.246 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 12.711 -2.361 10.254 1.00 0.00 H new ATOM 1289 N GLU A 120 7.639 -4.100 8.944 1.00 0.00 N ATOM 1290 CA GLU A 120 7.049 -2.781 8.741 1.00 0.00 C ATOM 1291 C GLU A 120 8.131 -1.716 8.605 1.00 0.00 C ATOM 1292 O GLU A 120 9.118 -1.720 9.341 1.00 0.00 O ATOM 1293 CB GLU A 120 6.116 -2.433 9.903 1.00 0.00 C ATOM 1294 CG GLU A 120 6.828 -2.320 11.241 1.00 0.00 C ATOM 1295 CD GLU A 120 5.871 -2.075 12.391 1.00 0.00 C ATOM 1296 OE1 GLU A 120 6.232 -1.312 13.312 1.00 0.00 O ATOM 1297 OE2 GLU A 120 4.760 -2.644 12.371 1.00 0.00 O ATOM 0 H GLU A 120 7.836 -4.328 9.918 1.00 0.00 H new ATOM 0 HA GLU A 120 6.472 -2.806 7.816 1.00 0.00 H new ATOM 0 HB2 GLU A 120 5.615 -1.489 9.686 1.00 0.00 H new ATOM 0 HB3 GLU A 120 5.341 -3.196 9.977 1.00 0.00 H new ATOM 0 HG2 GLU A 120 7.389 -3.236 11.429 1.00 0.00 H new ATOM 0 HG3 GLU A 120 7.552 -1.506 11.196 1.00 0.00 H new ATOM 1304 N VAL A 121 7.939 -0.803 7.658 1.00 0.00 N ATOM 1305 CA VAL A 121 8.897 0.271 7.424 1.00 0.00 C ATOM 1306 C VAL A 121 8.234 1.636 7.560 1.00 0.00 C ATOM 1307 O VAL A 121 7.009 1.750 7.517 1.00 0.00 O ATOM 1308 CB VAL A 121 9.535 0.159 6.026 1.00 0.00 C ATOM 1309 CG1 VAL A 121 10.558 -0.965 5.995 1.00 0.00 C ATOM 1310 CG2 VAL A 121 8.466 -0.052 4.965 1.00 0.00 C ATOM 0 H VAL A 121 7.128 -0.786 7.040 1.00 0.00 H new ATOM 0 HA VAL A 121 9.676 0.171 8.180 1.00 0.00 H new ATOM 0 HB VAL A 121 10.050 1.094 5.806 1.00 0.00 H new ATOM 0 HG11 VAL A 121 10.998 -1.029 5.000 1.00 0.00 H new ATOM 0 HG12 VAL A 121 11.341 -0.764 6.726 1.00 0.00 H new ATOM 0 HG13 VAL A 121 10.069 -1.909 6.237 1.00 0.00 H new ATOM 0 HG21 VAL A 121 8.936 -0.129 3.985 1.00 0.00 H new ATOM 0 HG22 VAL A 121 7.919 -0.970 5.178 1.00 0.00 H new ATOM 0 HG23 VAL A 121 7.776 0.792 4.971 1.00 0.00 H new ATOM 1320 N PHE A 122 9.051 2.672 7.726 1.00 0.00 N ATOM 1321 CA PHE A 122 8.542 4.032 7.870 1.00 0.00 C ATOM 1322 C PHE A 122 9.063 4.928 6.751 1.00 0.00 C ATOM 1323 O PHE A 122 10.237 4.864 6.386 1.00 0.00 O ATOM 1324 CB PHE A 122 8.945 4.608 9.229 1.00 0.00 C ATOM 1325 CG PHE A 122 10.426 4.581 9.478 1.00 0.00 C ATOM 1326 CD1 PHE A 122 11.022 3.476 10.066 1.00 0.00 C ATOM 1327 CD2 PHE A 122 11.221 5.657 9.124 1.00 0.00 C ATOM 1328 CE1 PHE A 122 12.384 3.447 10.297 1.00 0.00 C ATOM 1329 CE2 PHE A 122 12.585 5.635 9.351 1.00 0.00 C ATOM 1330 CZ PHE A 122 13.166 4.528 9.938 1.00 0.00 C ATOM 0 H PHE A 122 10.067 2.596 7.764 1.00 0.00 H new ATOM 0 HA PHE A 122 7.454 3.996 7.806 1.00 0.00 H new ATOM 0 HB2 PHE A 122 8.592 5.637 9.297 1.00 0.00 H new ATOM 0 HB3 PHE A 122 8.442 4.046 10.016 1.00 0.00 H new ATOM 0 HD1 PHE A 122 10.415 2.628 10.347 1.00 0.00 H new ATOM 0 HD2 PHE A 122 10.771 6.525 8.665 1.00 0.00 H new ATOM 0 HE1 PHE A 122 12.836 2.581 10.757 1.00 0.00 H new ATOM 0 HE2 PHE A 122 13.194 6.481 9.070 1.00 0.00 H new ATOM 0 HZ PHE A 122 14.231 4.507 10.116 1.00 0.00 H new