USER MOD reduce.3.24.130724 H: found=0, std=0, add=934, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 934 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 99 LYS NZ :NH3+ 157:sc= 0.535 (180deg=-0.0275) USER MOD Set 1.2: A 100 SER OG : rot 180:sc= 0.483 USER MOD Set 2.1: A 78 MET CE :methyl 166:sc= -0.119 (180deg=-0.363) USER MOD Set 2.2: A 88 GLN : amide:sc= -1.81 K(o=-1.9,f=-7.7!) USER MOD Set 3.1: A 53 ASN : amide:sc= -2.49! C(o=-1.2!,f=-11!) USER MOD Set 3.2: A 57 THR OG1 : rot 114:sc= 1.25 USER MOD Set 4.1: A 16 MET CE :methyl -159:sc= -0.157 (180deg=-0.717) USER MOD Set 4.2: A 34 TYR OH : rot 180:sc= -0.0209 USER MOD Single : A 5 MET CE :methyl -108:sc= -0.36 (180deg=-2.32!) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 ASN : amide:sc= -2.92! C(o=-2.9!,f=-3.5!) USER MOD Single : A 9 SER OG : rot -130:sc= 0.365 USER MOD Single : A 10 ASN : amide:sc= -0.726 K(o=-0.73,f=-3.8!) USER MOD Single : A 11 ASN :FLIP amide:sc= -1.18 F(o=-2.3!,f=-1.2) USER MOD Single : A 14 LYS NZ :NH3+ -166:sc= -0.0616 (180deg=-0.282) USER MOD Single : A 18 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 20 LYS NZ :NH3+ 149:sc= 1.18 (180deg=1.11) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 180:sc= 0.00432 USER MOD Single : A 35 ASN : amide:sc= 0.736 K(o=0.74,f=-1.1) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 TYR OH : rot -146:sc= 1.29 USER MOD Single : A 43 MET CE :methyl -170:sc= -0.597 (180deg=-0.915) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0.0503 USER MOD Single : A 58 LYS NZ :NH3+ 149:sc= 1.26 (180deg=0.932) USER MOD Single : A 67 ASN : amide:sc= -0.923 X(o=-0.92,f=-1.1!) USER MOD Single : A 69 HIS : no HE2:sc= -0.826 X(o=-0.83,f=-0.79) USER MOD Single : A 70 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 72 ASN : amide:sc=-0.00335 X(o=-0.0034,f=0.14) USER MOD Single : A 74 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.026) USER MOD Single : A 79 LYS NZ :NH3+ -117:sc= 0.0211 (180deg=0) USER MOD Single : A 80 HIS : no HD1:sc= -0.205 X(o=-0.2,f=-0.18) USER MOD Single : A 85 THR OG1 : rot 83:sc= 0.854 USER MOD Single : A 86 MET CE :methyl -159:sc= -0.412 (180deg=-1.63!) USER MOD Single : A 89 GLN : amide:sc= -0.118 X(o=-0.12,f=-0.11) USER MOD Single : A 95 HIS : no HD1:sc= -0.042 X(o=-0.042,f=-0.036) USER MOD Single : A 104 ASN : amide:sc= 0 K(o=0,f=-0.53) USER MOD Single : A 107 LYS NZ :NH3+ 155:sc= -0.095 (180deg=-0.661) USER MOD Single : A 109 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 110 LYS NZ :NH3+ 150:sc= 0.997 (180deg=-0.0141!) USER MOD Single : A 111 THR OG1 : rot -31:sc= 0.136 USER MOD Single : A 116 MET CE :methyl 151:sc= -1.58 (180deg=-2.96!) USER MOD Single : A 119 LYS NZ :NH3+ -151:sc= 0 (180deg=-0.727) USER MOD Single : A 120 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 123 HIS : no HD1:sc= 1.03 K(o=1,f=-5!) USER MOD Single : A 124 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 14 N PRO A 2 -6.955 -12.898 -3.007 1.00 0.00 N ATOM 15 CA PRO A 2 -7.715 -11.675 -2.675 1.00 0.00 C ATOM 16 C PRO A 2 -7.742 -11.347 -1.181 1.00 0.00 C ATOM 17 O PRO A 2 -8.109 -10.234 -0.804 1.00 0.00 O ATOM 18 CB PRO A 2 -9.137 -11.974 -3.169 1.00 0.00 C ATOM 19 CG PRO A 2 -9.190 -13.452 -3.326 1.00 0.00 C ATOM 20 CD PRO A 2 -7.808 -13.863 -3.728 1.00 0.00 C ATOM 0 HA PRO A 2 -7.252 -10.804 -3.139 1.00 0.00 H new ATOM 0 HB2 PRO A 2 -9.884 -11.626 -2.455 1.00 0.00 H new ATOM 0 HB3 PRO A 2 -9.340 -11.470 -4.114 1.00 0.00 H new ATOM 0 HG2 PRO A 2 -9.488 -13.935 -2.395 1.00 0.00 H new ATOM 0 HG3 PRO A 2 -9.920 -13.740 -4.082 1.00 0.00 H new ATOM 0 HD2 PRO A 2 -7.591 -14.891 -3.436 1.00 0.00 H new ATOM 0 HD3 PRO A 2 -7.666 -13.801 -4.807 1.00 0.00 H new ATOM 28 N GLU A 3 -7.358 -12.315 -0.347 1.00 0.00 N ATOM 29 CA GLU A 3 -7.318 -12.135 1.108 1.00 0.00 C ATOM 30 C GLU A 3 -6.677 -10.801 1.484 1.00 0.00 C ATOM 31 O GLU A 3 -7.351 -9.908 2.004 1.00 0.00 O ATOM 32 CB GLU A 3 -6.547 -13.276 1.791 1.00 0.00 C ATOM 33 CG GLU A 3 -7.108 -14.669 1.534 1.00 0.00 C ATOM 34 CD GLU A 3 -6.804 -15.177 0.143 1.00 0.00 C ATOM 35 OE1 GLU A 3 -5.636 -15.504 -0.131 1.00 0.00 O ATOM 36 OE2 GLU A 3 -7.724 -15.222 -0.697 1.00 0.00 O ATOM 0 H GLU A 3 -7.067 -13.242 -0.658 1.00 0.00 H new ATOM 0 HA GLU A 3 -8.351 -12.145 1.456 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -5.511 -13.249 1.453 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -6.537 -13.096 2.866 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -6.696 -15.362 2.267 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -8.188 -14.654 1.682 1.00 0.00 H new ATOM 43 N ILE A 4 -5.380 -10.661 1.227 1.00 0.00 N ATOM 44 CA ILE A 4 -4.692 -9.413 1.516 1.00 0.00 C ATOM 45 C ILE A 4 -4.781 -8.427 0.343 1.00 0.00 C ATOM 46 O ILE A 4 -4.450 -7.254 0.484 1.00 0.00 O ATOM 47 CB ILE A 4 -3.211 -9.670 1.882 1.00 0.00 C ATOM 48 CG1 ILE A 4 -2.574 -8.421 2.499 1.00 0.00 C ATOM 49 CG2 ILE A 4 -2.424 -10.114 0.656 1.00 0.00 C ATOM 50 CD1 ILE A 4 -3.296 -7.915 3.731 1.00 0.00 C ATOM 0 H ILE A 4 -4.792 -11.390 0.823 1.00 0.00 H new ATOM 0 HA ILE A 4 -5.194 -8.963 2.372 1.00 0.00 H new ATOM 0 HB ILE A 4 -3.182 -10.470 2.622 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -1.539 -8.643 2.760 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -2.551 -7.628 1.751 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -1.385 -10.290 0.935 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -2.854 -11.034 0.261 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -2.469 -9.336 -0.106 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -2.788 -7.029 4.112 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -4.324 -7.661 3.472 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -3.297 -8.691 4.497 1.00 0.00 H new ATOM 62 N MET A 5 -5.245 -8.906 -0.808 1.00 0.00 N ATOM 63 CA MET A 5 -5.340 -8.075 -2.002 1.00 0.00 C ATOM 64 C MET A 5 -6.480 -7.074 -1.879 1.00 0.00 C ATOM 65 O MET A 5 -6.512 -6.061 -2.579 1.00 0.00 O ATOM 66 CB MET A 5 -5.524 -8.946 -3.241 1.00 0.00 C ATOM 67 CG MET A 5 -4.247 -9.637 -3.692 1.00 0.00 C ATOM 68 SD MET A 5 -4.473 -10.618 -5.189 1.00 0.00 S ATOM 69 CE MET A 5 -4.926 -9.341 -6.358 1.00 0.00 C ATOM 0 H MET A 5 -5.561 -9.867 -0.938 1.00 0.00 H new ATOM 0 HA MET A 5 -4.410 -7.516 -2.103 1.00 0.00 H new ATOM 0 HB2 MET A 5 -6.283 -9.701 -3.035 1.00 0.00 H new ATOM 0 HB3 MET A 5 -5.901 -8.329 -4.056 1.00 0.00 H new ATOM 0 HG2 MET A 5 -3.476 -8.887 -3.868 1.00 0.00 H new ATOM 0 HG3 MET A 5 -3.887 -10.283 -2.891 1.00 0.00 H new ATOM 0 HE1 MET A 5 -5.986 -9.427 -6.599 1.00 0.00 H new ATOM 0 HE2 MET A 5 -4.732 -8.362 -5.920 1.00 0.00 H new ATOM 0 HE3 MET A 5 -4.337 -9.455 -7.268 1.00 0.00 H new ATOM 79 N LYS A 6 -7.430 -7.374 -1.006 1.00 0.00 N ATOM 80 CA LYS A 6 -8.468 -6.421 -0.670 1.00 0.00 C ATOM 81 C LYS A 6 -7.980 -5.523 0.457 1.00 0.00 C ATOM 82 O LYS A 6 -8.281 -5.754 1.630 1.00 0.00 O ATOM 83 CB LYS A 6 -9.766 -7.128 -0.269 1.00 0.00 C ATOM 84 CG LYS A 6 -10.388 -7.940 -1.396 1.00 0.00 C ATOM 85 CD LYS A 6 -11.719 -8.550 -0.983 1.00 0.00 C ATOM 86 CE LYS A 6 -12.717 -7.479 -0.576 1.00 0.00 C ATOM 87 NZ LYS A 6 -14.053 -8.051 -0.269 1.00 0.00 N ATOM 0 H LYS A 6 -7.501 -8.268 -0.520 1.00 0.00 H new ATOM 0 HA LYS A 6 -8.685 -5.816 -1.551 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -9.565 -7.787 0.575 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -10.486 -6.384 0.072 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -10.535 -7.301 -2.266 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -9.702 -8.732 -1.695 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -12.126 -9.133 -1.809 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -11.563 -9.239 -0.153 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -12.341 -6.947 0.298 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -12.812 -6.748 -1.379 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -14.703 -7.287 0.004 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -14.424 -8.537 -1.110 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -13.968 -8.730 0.514 1.00 0.00 H new ATOM 101 N ASN A 7 -7.197 -4.518 0.087 1.00 0.00 N ATOM 102 CA ASN A 7 -6.581 -3.618 1.054 1.00 0.00 C ATOM 103 C ASN A 7 -7.638 -2.872 1.849 1.00 0.00 C ATOM 104 O ASN A 7 -8.558 -2.287 1.282 1.00 0.00 O ATOM 105 CB ASN A 7 -5.668 -2.607 0.357 1.00 0.00 C ATOM 106 CG ASN A 7 -4.427 -3.237 -0.242 1.00 0.00 C ATOM 107 OD1 ASN A 7 -4.435 -4.390 -0.660 1.00 0.00 O ATOM 108 ND2 ASN A 7 -3.347 -2.477 -0.291 1.00 0.00 N ATOM 0 H ASN A 7 -6.972 -4.304 -0.885 1.00 0.00 H new ATOM 0 HA ASN A 7 -5.985 -4.228 1.733 1.00 0.00 H new ATOM 0 HB2 ASN A 7 -6.229 -2.104 -0.431 1.00 0.00 H new ATOM 0 HB3 ASN A 7 -5.369 -1.842 1.074 1.00 0.00 H new ATOM 0 HD21 ASN A 7 -2.482 -2.845 -0.686 1.00 0.00 H new ATOM 0 HD22 ASN A 7 -3.379 -1.522 0.067 1.00 0.00 H new ATOM 115 N LEU A 8 -7.487 -2.887 3.167 1.00 0.00 N ATOM 116 CA LEU A 8 -8.441 -2.245 4.060 1.00 0.00 C ATOM 117 C LEU A 8 -8.579 -0.760 3.755 1.00 0.00 C ATOM 118 O LEU A 8 -9.660 -0.199 3.889 1.00 0.00 O ATOM 119 CB LEU A 8 -8.026 -2.448 5.515 1.00 0.00 C ATOM 120 CG LEU A 8 -7.926 -3.907 5.954 1.00 0.00 C ATOM 121 CD1 LEU A 8 -7.511 -3.997 7.408 1.00 0.00 C ATOM 122 CD2 LEU A 8 -9.253 -4.621 5.738 1.00 0.00 C ATOM 0 H LEU A 8 -6.707 -3.340 3.643 1.00 0.00 H new ATOM 0 HA LEU A 8 -9.413 -2.712 3.898 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -7.060 -1.969 5.673 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -8.744 -1.938 6.158 1.00 0.00 H new ATOM 0 HG LEU A 8 -7.166 -4.397 5.346 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -7.445 -5.044 7.703 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -6.539 -3.521 7.539 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -8.250 -3.491 8.029 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -9.163 -5.660 6.056 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -10.030 -4.128 6.322 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -9.517 -4.587 4.681 1.00 0.00 H new ATOM 134 N SER A 9 -7.486 -0.133 3.332 1.00 0.00 N ATOM 135 CA SER A 9 -7.505 1.281 2.974 1.00 0.00 C ATOM 136 C SER A 9 -8.456 1.509 1.798 1.00 0.00 C ATOM 137 O SER A 9 -9.197 2.493 1.763 1.00 0.00 O ATOM 138 CB SER A 9 -6.086 1.756 2.623 1.00 0.00 C ATOM 139 OG SER A 9 -6.028 3.167 2.465 1.00 0.00 O ATOM 0 H SER A 9 -6.576 -0.582 3.229 1.00 0.00 H new ATOM 0 HA SER A 9 -7.861 1.860 3.826 1.00 0.00 H new ATOM 0 HB2 SER A 9 -5.395 1.449 3.408 1.00 0.00 H new ATOM 0 HB3 SER A 9 -5.758 1.273 1.703 1.00 0.00 H new ATOM 0 HG SER A 9 -5.580 3.383 1.621 1.00 0.00 H new ATOM 145 N ASN A 10 -8.437 0.575 0.852 1.00 0.00 N ATOM 146 CA ASN A 10 -9.312 0.630 -0.313 1.00 0.00 C ATOM 147 C ASN A 10 -10.731 0.226 0.058 1.00 0.00 C ATOM 148 O ASN A 10 -11.695 0.709 -0.532 1.00 0.00 O ATOM 149 CB ASN A 10 -8.784 -0.284 -1.423 1.00 0.00 C ATOM 150 CG ASN A 10 -7.473 0.208 -2.005 1.00 0.00 C ATOM 151 OD1 ASN A 10 -6.399 -0.086 -1.483 1.00 0.00 O ATOM 152 ND2 ASN A 10 -7.551 0.953 -3.097 1.00 0.00 N ATOM 0 H ASN A 10 -7.819 -0.236 0.871 1.00 0.00 H new ATOM 0 HA ASN A 10 -9.326 1.658 -0.676 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -8.647 -1.290 -1.027 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -9.527 -0.353 -2.217 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -6.700 1.305 -3.536 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -8.462 1.175 -3.499 1.00 0.00 H new ATOM 159 N ASN A 11 -10.851 -0.663 1.040 1.00 0.00 N ATOM 160 CA ASN A 11 -12.159 -1.094 1.520 1.00 0.00 C ATOM 161 C ASN A 11 -12.853 0.061 2.221 1.00 0.00 C ATOM 162 O ASN A 11 -14.025 0.334 1.965 1.00 0.00 O ATOM 163 CB ASN A 11 -12.041 -2.287 2.477 1.00 0.00 C ATOM 164 CG ASN A 11 -11.476 -3.530 1.815 1.00 0.00 C ATOM 165 OD1 ASN A 11 -10.831 -4.374 2.604 1.00 0.00 O flip ATOM 166 ND2 ASN A 11 -11.631 -3.738 0.611 1.00 0.00 N flip ATOM 0 H ASN A 11 -10.061 -1.097 1.517 1.00 0.00 H new ATOM 0 HA ASN A 11 -12.747 -1.411 0.659 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -11.404 -2.009 3.317 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -13.025 -2.516 2.885 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -12.135 -3.062 0.037 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -11.256 -4.587 0.188 1.00 0.00 H new ATOM 173 N PHE A 12 -12.132 0.705 3.138 1.00 0.00 N ATOM 174 CA PHE A 12 -12.594 1.957 3.750 1.00 0.00 C ATOM 175 C PHE A 12 -13.083 2.965 2.697 1.00 0.00 C ATOM 176 O PHE A 12 -14.289 3.167 2.559 1.00 0.00 O ATOM 177 CB PHE A 12 -11.497 2.597 4.613 1.00 0.00 C ATOM 178 CG PHE A 12 -11.214 1.859 5.895 1.00 0.00 C ATOM 179 CD1 PHE A 12 -12.252 1.442 6.714 1.00 0.00 C ATOM 180 CD2 PHE A 12 -9.912 1.582 6.280 1.00 0.00 C ATOM 181 CE1 PHE A 12 -11.997 0.764 7.891 1.00 0.00 C ATOM 182 CE2 PHE A 12 -9.652 0.904 7.457 1.00 0.00 C ATOM 183 CZ PHE A 12 -10.695 0.495 8.262 1.00 0.00 C ATOM 0 H PHE A 12 -11.225 0.383 3.476 1.00 0.00 H new ATOM 0 HA PHE A 12 -13.437 1.697 4.390 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -10.578 2.655 4.029 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -11.788 3.620 4.852 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -13.273 1.650 6.429 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -9.091 1.899 5.654 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -12.815 0.445 8.520 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -8.633 0.695 7.746 1.00 0.00 H new ATOM 0 HZ PHE A 12 -10.493 -0.035 9.181 1.00 0.00 H new ATOM 193 N GLY A 13 -12.157 3.593 1.953 1.00 0.00 N ATOM 194 CA GLY A 13 -12.547 4.587 0.962 1.00 0.00 C ATOM 195 C GLY A 13 -13.447 5.682 1.522 1.00 0.00 C ATOM 196 O GLY A 13 -14.338 6.169 0.826 1.00 0.00 O ATOM 0 H GLY A 13 -11.153 3.428 2.023 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -11.650 5.043 0.544 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -13.063 4.088 0.142 1.00 0.00 H new ATOM 200 N LYS A 14 -13.211 6.074 2.772 1.00 0.00 N ATOM 201 CA LYS A 14 -14.025 7.085 3.426 1.00 0.00 C ATOM 202 C LYS A 14 -13.699 8.468 2.871 1.00 0.00 C ATOM 203 O LYS A 14 -14.586 9.306 2.689 1.00 0.00 O ATOM 204 CB LYS A 14 -13.777 7.048 4.934 1.00 0.00 C ATOM 205 CG LYS A 14 -14.720 7.928 5.732 1.00 0.00 C ATOM 206 CD LYS A 14 -14.366 7.925 7.208 1.00 0.00 C ATOM 207 CE LYS A 14 -15.286 8.830 8.008 1.00 0.00 C ATOM 208 NZ LYS A 14 -15.245 10.238 7.530 1.00 0.00 N ATOM 0 H LYS A 14 -12.458 5.702 3.351 1.00 0.00 H new ATOM 0 HA LYS A 14 -15.077 6.875 3.232 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -13.872 6.020 5.283 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -12.751 7.358 5.132 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -14.680 8.948 5.349 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -15.744 7.578 5.601 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -14.429 6.908 7.595 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -13.334 8.251 7.335 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -16.308 8.456 7.943 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -15.001 8.797 9.060 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -15.692 10.857 8.236 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -14.256 10.529 7.391 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -15.758 10.314 6.629 1.00 0.00 H new ATOM 222 N ALA A 15 -12.423 8.690 2.588 1.00 0.00 N ATOM 223 CA ALA A 15 -11.967 9.959 2.047 1.00 0.00 C ATOM 224 C ALA A 15 -10.831 9.740 1.057 1.00 0.00 C ATOM 225 O ALA A 15 -9.695 9.466 1.446 1.00 0.00 O ATOM 226 CB ALA A 15 -11.519 10.886 3.166 1.00 0.00 C ATOM 0 H ALA A 15 -11.683 8.002 2.726 1.00 0.00 H new ATOM 0 HA ALA A 15 -12.800 10.426 1.522 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -11.181 11.831 2.742 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -12.354 11.070 3.842 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -10.701 10.422 3.717 1.00 0.00 H new ATOM 232 N MET A 16 -11.143 9.856 -0.223 1.00 0.00 N ATOM 233 CA MET A 16 -10.149 9.686 -1.271 1.00 0.00 C ATOM 234 C MET A 16 -9.352 10.974 -1.432 1.00 0.00 C ATOM 235 O MET A 16 -8.158 10.953 -1.737 1.00 0.00 O ATOM 236 CB MET A 16 -10.821 9.305 -2.595 1.00 0.00 C ATOM 237 CG MET A 16 -9.840 9.067 -3.735 1.00 0.00 C ATOM 238 SD MET A 16 -10.654 8.552 -5.262 1.00 0.00 S ATOM 239 CE MET A 16 -11.361 6.984 -4.757 1.00 0.00 C ATOM 0 H MET A 16 -12.081 10.068 -0.563 1.00 0.00 H new ATOM 0 HA MET A 16 -9.472 8.879 -0.990 1.00 0.00 H new ATOM 0 HB2 MET A 16 -11.414 8.403 -2.444 1.00 0.00 H new ATOM 0 HB3 MET A 16 -11.512 10.097 -2.882 1.00 0.00 H new ATOM 0 HG2 MET A 16 -9.276 9.981 -3.920 1.00 0.00 H new ATOM 0 HG3 MET A 16 -9.121 8.304 -3.436 1.00 0.00 H new ATOM 0 HE1 MET A 16 -11.564 6.376 -5.638 1.00 0.00 H new ATOM 0 HE2 MET A 16 -10.659 6.460 -4.109 1.00 0.00 H new ATOM 0 HE3 MET A 16 -12.291 7.161 -4.216 1.00 0.00 H new ATOM 249 N ASP A 17 -10.029 12.094 -1.188 1.00 0.00 N ATOM 250 CA ASP A 17 -9.419 13.419 -1.293 1.00 0.00 C ATOM 251 C ASP A 17 -8.211 13.555 -0.382 1.00 0.00 C ATOM 252 O ASP A 17 -7.231 14.216 -0.727 1.00 0.00 O ATOM 253 CB ASP A 17 -10.441 14.506 -0.952 1.00 0.00 C ATOM 254 CG ASP A 17 -9.830 15.896 -0.931 1.00 0.00 C ATOM 255 OD1 ASP A 17 -9.538 16.442 -2.015 1.00 0.00 O ATOM 256 OD2 ASP A 17 -9.644 16.452 0.173 1.00 0.00 O ATOM 0 H ASP A 17 -11.011 12.110 -0.913 1.00 0.00 H new ATOM 0 HA ASP A 17 -9.085 13.541 -2.323 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -11.251 14.480 -1.681 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -10.882 14.292 0.022 1.00 0.00 H new ATOM 261 N GLN A 18 -8.252 12.890 0.759 1.00 0.00 N ATOM 262 CA GLN A 18 -7.209 13.080 1.749 1.00 0.00 C ATOM 263 C GLN A 18 -6.045 12.135 1.514 1.00 0.00 C ATOM 264 O GLN A 18 -4.917 12.435 1.894 1.00 0.00 O ATOM 265 CB GLN A 18 -7.744 12.943 3.171 1.00 0.00 C ATOM 266 CG GLN A 18 -8.581 14.132 3.615 1.00 0.00 C ATOM 267 CD GLN A 18 -8.465 14.384 5.103 1.00 0.00 C ATOM 268 OE1 GLN A 18 -9.220 13.834 5.901 1.00 0.00 O ATOM 269 NE2 GLN A 18 -7.520 15.225 5.486 1.00 0.00 N ATOM 0 H GLN A 18 -8.981 12.226 1.019 1.00 0.00 H new ATOM 0 HA GLN A 18 -6.843 14.100 1.634 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -8.347 12.037 3.240 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -6.906 12.821 3.857 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -8.264 15.022 3.071 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -9.625 13.956 3.358 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -6.913 15.661 4.792 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -7.397 15.438 6.476 1.00 0.00 H new ATOM 278 N CYS A 19 -6.298 11.008 0.867 1.00 0.00 N ATOM 279 CA CYS A 19 -5.206 10.125 0.481 1.00 0.00 C ATOM 280 C CYS A 19 -4.424 10.782 -0.657 1.00 0.00 C ATOM 281 O CYS A 19 -3.201 10.687 -0.720 1.00 0.00 O ATOM 282 CB CYS A 19 -5.724 8.732 0.080 1.00 0.00 C ATOM 283 SG CYS A 19 -4.411 7.509 -0.254 1.00 0.00 S ATOM 0 H CYS A 19 -7.229 10.687 0.602 1.00 0.00 H new ATOM 0 HA CYS A 19 -4.544 9.974 1.333 1.00 0.00 H new ATOM 0 HB2 CYS A 19 -6.364 8.352 0.877 1.00 0.00 H new ATOM 0 HB3 CYS A 19 -6.347 8.831 -0.809 1.00 0.00 H new ATOM 288 N LYS A 20 -5.140 11.499 -1.524 1.00 0.00 N ATOM 289 CA LYS A 20 -4.516 12.238 -2.611 1.00 0.00 C ATOM 290 C LYS A 20 -3.611 13.332 -2.053 1.00 0.00 C ATOM 291 O LYS A 20 -2.452 13.470 -2.449 1.00 0.00 O ATOM 292 CB LYS A 20 -5.601 12.834 -3.514 1.00 0.00 C ATOM 293 CG LYS A 20 -5.110 13.826 -4.567 1.00 0.00 C ATOM 294 CD LYS A 20 -4.118 13.228 -5.562 1.00 0.00 C ATOM 295 CE LYS A 20 -3.839 14.225 -6.678 1.00 0.00 C ATOM 296 NZ LYS A 20 -2.963 13.671 -7.743 1.00 0.00 N ATOM 0 H LYS A 20 -6.156 11.581 -1.490 1.00 0.00 H new ATOM 0 HA LYS A 20 -3.901 11.561 -3.204 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -6.115 12.018 -4.021 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -6.338 13.334 -2.885 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -5.969 14.216 -5.114 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -4.641 14.672 -4.065 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -3.190 12.970 -5.053 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -4.520 12.305 -5.979 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -4.784 14.542 -7.120 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -3.371 15.114 -6.255 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -3.208 14.107 -8.655 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -1.969 13.876 -7.517 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -3.099 12.642 -7.804 1.00 0.00 H new ATOM 310 N ASP A 21 -4.158 14.082 -1.108 1.00 0.00 N ATOM 311 CA ASP A 21 -3.460 15.213 -0.495 1.00 0.00 C ATOM 312 C ASP A 21 -2.307 14.769 0.407 1.00 0.00 C ATOM 313 O ASP A 21 -1.196 15.289 0.298 1.00 0.00 O ATOM 314 CB ASP A 21 -4.452 16.055 0.312 1.00 0.00 C ATOM 315 CG ASP A 21 -3.779 17.136 1.139 1.00 0.00 C ATOM 316 OD1 ASP A 21 -3.444 18.201 0.576 1.00 0.00 O ATOM 317 OD2 ASP A 21 -3.603 16.934 2.362 1.00 0.00 O ATOM 0 H ASP A 21 -5.097 13.928 -0.742 1.00 0.00 H new ATOM 0 HA ASP A 21 -3.031 15.806 -1.302 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -5.165 16.518 -0.370 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -5.021 15.401 0.973 1.00 0.00 H new ATOM 322 N GLU A 22 -2.560 13.797 1.279 1.00 0.00 N ATOM 323 CA GLU A 22 -1.574 13.399 2.279 1.00 0.00 C ATOM 324 C GLU A 22 -0.378 12.695 1.633 1.00 0.00 C ATOM 325 O GLU A 22 0.759 12.857 2.081 1.00 0.00 O ATOM 326 CB GLU A 22 -2.220 12.506 3.344 1.00 0.00 C ATOM 327 CG GLU A 22 -1.307 12.183 4.519 1.00 0.00 C ATOM 328 CD GLU A 22 -1.325 13.255 5.586 1.00 0.00 C ATOM 329 OE1 GLU A 22 -1.029 14.425 5.273 1.00 0.00 O ATOM 330 OE2 GLU A 22 -1.628 12.925 6.753 1.00 0.00 O ATOM 0 H GLU A 22 -3.434 13.273 1.314 1.00 0.00 H new ATOM 0 HA GLU A 22 -1.203 14.303 2.763 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -3.118 12.997 3.719 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -2.538 11.574 2.877 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -1.611 11.233 4.959 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -0.287 12.054 4.156 1.00 0.00 H new ATOM 337 N LEU A 23 -0.625 11.924 0.575 1.00 0.00 N ATOM 338 CA LEU A 23 0.458 11.264 -0.158 1.00 0.00 C ATOM 339 C LEU A 23 1.166 12.252 -1.055 1.00 0.00 C ATOM 340 O LEU A 23 2.315 12.046 -1.439 1.00 0.00 O ATOM 341 CB LEU A 23 -0.091 10.156 -1.052 1.00 0.00 C ATOM 342 CG LEU A 23 -0.310 8.793 -0.408 1.00 0.00 C ATOM 343 CD1 LEU A 23 1.014 8.110 -0.122 1.00 0.00 C ATOM 344 CD2 LEU A 23 -1.108 8.930 0.862 1.00 0.00 C ATOM 0 H LEU A 23 -1.558 11.741 0.207 1.00 0.00 H new ATOM 0 HA LEU A 23 1.144 10.852 0.582 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -1.042 10.493 -1.464 1.00 0.00 H new ATOM 0 HB3 LEU A 23 0.592 10.028 -1.892 1.00 0.00 H new ATOM 0 HG LEU A 23 -0.871 8.176 -1.110 1.00 0.00 H new ATOM 0 HD11 LEU A 23 0.831 7.139 0.338 1.00 0.00 H new ATOM 0 HD12 LEU A 23 1.561 7.973 -1.054 1.00 0.00 H new ATOM 0 HD13 LEU A 23 1.603 8.727 0.557 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -1.254 7.946 1.308 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -0.570 9.569 1.562 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -2.078 9.374 0.636 1.00 0.00 H new ATOM 356 N SER A 24 0.458 13.323 -1.375 1.00 0.00 N ATOM 357 CA SER A 24 0.896 14.263 -2.391 1.00 0.00 C ATOM 358 C SER A 24 1.065 13.510 -3.708 1.00 0.00 C ATOM 359 O SER A 24 2.008 13.745 -4.466 1.00 0.00 O ATOM 360 CB SER A 24 2.203 14.941 -1.964 1.00 0.00 C ATOM 361 OG SER A 24 2.034 15.621 -0.727 1.00 0.00 O ATOM 0 H SER A 24 -0.432 13.564 -0.939 1.00 0.00 H new ATOM 0 HA SER A 24 0.152 15.049 -2.521 1.00 0.00 H new ATOM 0 HB2 SER A 24 2.992 14.195 -1.870 1.00 0.00 H new ATOM 0 HB3 SER A 24 2.521 15.646 -2.732 1.00 0.00 H new ATOM 0 HG SER A 24 2.879 16.046 -0.469 1.00 0.00 H new ATOM 367 N LEU A 25 0.107 12.618 -3.973 1.00 0.00 N ATOM 368 CA LEU A 25 0.204 11.697 -5.107 1.00 0.00 C ATOM 369 C LEU A 25 0.160 12.452 -6.421 1.00 0.00 C ATOM 370 O LEU A 25 -0.614 13.394 -6.581 1.00 0.00 O ATOM 371 CB LEU A 25 -0.934 10.657 -5.124 1.00 0.00 C ATOM 372 CG LEU A 25 -0.875 9.521 -4.088 1.00 0.00 C ATOM 373 CD1 LEU A 25 -2.088 8.620 -4.219 1.00 0.00 C ATOM 374 CD2 LEU A 25 0.390 8.706 -4.255 1.00 0.00 C ATOM 0 H LEU A 25 -0.743 12.515 -3.419 1.00 0.00 H new ATOM 0 HA LEU A 25 1.156 11.180 -4.989 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -1.876 11.188 -4.988 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -0.963 10.206 -6.116 1.00 0.00 H new ATOM 0 HG LEU A 25 -0.872 9.971 -3.095 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -2.030 7.822 -3.479 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -2.994 9.203 -4.054 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -2.113 8.186 -5.219 1.00 0.00 H new ATOM 0 HD21 LEU A 25 0.410 7.909 -3.512 1.00 0.00 H new ATOM 0 HD22 LEU A 25 0.414 8.271 -5.254 1.00 0.00 H new ATOM 0 HD23 LEU A 25 1.259 9.350 -4.119 1.00 0.00 H new ATOM 386 N PRO A 26 0.985 12.039 -7.378 1.00 0.00 N ATOM 387 CA PRO A 26 0.911 12.528 -8.744 1.00 0.00 C ATOM 388 C PRO A 26 -0.165 11.774 -9.517 1.00 0.00 C ATOM 389 O PRO A 26 -0.616 10.710 -9.075 1.00 0.00 O ATOM 390 CB PRO A 26 2.300 12.228 -9.294 1.00 0.00 C ATOM 391 CG PRO A 26 2.754 11.023 -8.545 1.00 0.00 C ATOM 392 CD PRO A 26 2.059 11.049 -7.204 1.00 0.00 C ATOM 0 HA PRO A 26 0.648 13.583 -8.818 1.00 0.00 H new ATOM 0 HB2 PRO A 26 2.268 12.038 -10.367 1.00 0.00 H new ATOM 0 HB3 PRO A 26 2.977 13.068 -9.139 1.00 0.00 H new ATOM 0 HG2 PRO A 26 2.505 10.113 -9.091 1.00 0.00 H new ATOM 0 HG3 PRO A 26 3.837 11.033 -8.419 1.00 0.00 H new ATOM 0 HD2 PRO A 26 1.660 10.069 -6.942 1.00 0.00 H new ATOM 0 HD3 PRO A 26 2.743 11.338 -6.406 1.00 0.00 H new ATOM 400 N ASP A 27 -0.586 12.312 -10.655 1.00 0.00 N ATOM 401 CA ASP A 27 -1.676 11.705 -11.415 1.00 0.00 C ATOM 402 C ASP A 27 -1.301 10.308 -11.895 1.00 0.00 C ATOM 403 O ASP A 27 -2.138 9.407 -11.924 1.00 0.00 O ATOM 404 CB ASP A 27 -2.081 12.575 -12.610 1.00 0.00 C ATOM 405 CG ASP A 27 -0.997 12.698 -13.667 1.00 0.00 C ATOM 406 OD1 ASP A 27 -0.148 13.608 -13.547 1.00 0.00 O ATOM 407 OD2 ASP A 27 -0.994 11.900 -14.627 1.00 0.00 O ATOM 0 H ASP A 27 -0.196 13.158 -11.070 1.00 0.00 H new ATOM 0 HA ASP A 27 -2.529 11.627 -10.742 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -2.977 12.155 -13.067 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -2.342 13.571 -12.252 1.00 0.00 H new ATOM 412 N SER A 28 -0.026 10.120 -12.198 1.00 0.00 N ATOM 413 CA SER A 28 0.462 8.850 -12.705 1.00 0.00 C ATOM 414 C SER A 28 0.385 7.767 -11.637 1.00 0.00 C ATOM 415 O SER A 28 -0.110 6.666 -11.880 1.00 0.00 O ATOM 416 CB SER A 28 1.905 9.023 -13.172 1.00 0.00 C ATOM 417 OG SER A 28 2.671 9.668 -12.168 1.00 0.00 O ATOM 0 H SER A 28 0.693 10.837 -12.100 1.00 0.00 H new ATOM 0 HA SER A 28 -0.165 8.539 -13.541 1.00 0.00 H new ATOM 0 HB2 SER A 28 2.339 8.050 -13.402 1.00 0.00 H new ATOM 0 HB3 SER A 28 1.930 9.609 -14.091 1.00 0.00 H new ATOM 0 HG SER A 28 3.595 9.772 -12.478 1.00 0.00 H new ATOM 423 N VAL A 29 0.859 8.098 -10.447 1.00 0.00 N ATOM 424 CA VAL A 29 0.967 7.127 -9.380 1.00 0.00 C ATOM 425 C VAL A 29 -0.391 6.766 -8.783 1.00 0.00 C ATOM 426 O VAL A 29 -0.674 5.586 -8.609 1.00 0.00 O ATOM 427 CB VAL A 29 1.935 7.604 -8.291 1.00 0.00 C ATOM 428 CG1 VAL A 29 2.039 6.586 -7.175 1.00 0.00 C ATOM 429 CG2 VAL A 29 3.306 7.857 -8.894 1.00 0.00 C ATOM 0 H VAL A 29 1.175 9.036 -10.199 1.00 0.00 H new ATOM 0 HA VAL A 29 1.373 6.218 -9.824 1.00 0.00 H new ATOM 0 HB VAL A 29 1.549 8.532 -7.870 1.00 0.00 H new ATOM 0 HG11 VAL A 29 2.732 6.948 -6.415 1.00 0.00 H new ATOM 0 HG12 VAL A 29 1.057 6.435 -6.728 1.00 0.00 H new ATOM 0 HG13 VAL A 29 2.404 5.641 -7.577 1.00 0.00 H new ATOM 0 HG21 VAL A 29 3.989 8.196 -8.115 1.00 0.00 H new ATOM 0 HG22 VAL A 29 3.686 6.935 -9.334 1.00 0.00 H new ATOM 0 HG23 VAL A 29 3.228 8.622 -9.666 1.00 0.00 H new ATOM 439 N VAL A 30 -1.241 7.754 -8.471 1.00 0.00 N ATOM 440 CA VAL A 30 -2.570 7.438 -7.963 1.00 0.00 C ATOM 441 C VAL A 30 -3.361 6.618 -8.991 1.00 0.00 C ATOM 442 O VAL A 30 -4.161 5.755 -8.628 1.00 0.00 O ATOM 443 CB VAL A 30 -3.353 8.684 -7.533 1.00 0.00 C ATOM 444 CG1 VAL A 30 -3.745 9.528 -8.707 1.00 0.00 C ATOM 445 CG2 VAL A 30 -4.582 8.295 -6.724 1.00 0.00 C ATOM 0 H VAL A 30 -1.035 8.749 -8.560 1.00 0.00 H new ATOM 0 HA VAL A 30 -2.431 6.836 -7.065 1.00 0.00 H new ATOM 0 HB VAL A 30 -2.693 9.281 -6.904 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -4.298 10.401 -8.359 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -2.849 9.853 -9.237 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -4.373 8.945 -9.380 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -5.123 9.194 -6.429 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -5.231 7.663 -7.330 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -4.273 7.749 -5.833 1.00 0.00 H new ATOM 455 N ALA A 31 -3.104 6.869 -10.277 1.00 0.00 N ATOM 456 CA ALA A 31 -3.748 6.121 -11.349 1.00 0.00 C ATOM 457 C ALA A 31 -3.279 4.672 -11.389 1.00 0.00 C ATOM 458 O ALA A 31 -4.094 3.749 -11.402 1.00 0.00 O ATOM 459 CB ALA A 31 -3.451 6.770 -12.681 1.00 0.00 C ATOM 0 H ALA A 31 -2.453 7.586 -10.597 1.00 0.00 H new ATOM 0 HA ALA A 31 -4.820 6.130 -11.154 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -3.936 6.205 -13.477 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -3.829 7.792 -12.680 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -2.374 6.781 -12.848 1.00 0.00 H new ATOM 465 N ASP A 32 -1.962 4.477 -11.416 1.00 0.00 N ATOM 466 CA ASP A 32 -1.393 3.132 -11.503 1.00 0.00 C ATOM 467 C ASP A 32 -1.698 2.365 -10.226 1.00 0.00 C ATOM 468 O ASP A 32 -1.904 1.154 -10.247 1.00 0.00 O ATOM 469 CB ASP A 32 0.120 3.185 -11.750 1.00 0.00 C ATOM 470 CG ASP A 32 0.671 1.871 -12.286 1.00 0.00 C ATOM 471 OD1 ASP A 32 0.224 1.434 -13.374 1.00 0.00 O ATOM 472 OD2 ASP A 32 1.558 1.276 -11.638 1.00 0.00 O ATOM 0 H ASP A 32 -1.272 5.227 -11.379 1.00 0.00 H new ATOM 0 HA ASP A 32 -1.848 2.617 -12.349 1.00 0.00 H new ATOM 0 HB2 ASP A 32 0.341 3.984 -12.458 1.00 0.00 H new ATOM 0 HB3 ASP A 32 0.628 3.435 -10.819 1.00 0.00 H new ATOM 477 N LEU A 33 -1.726 3.088 -9.112 1.00 0.00 N ATOM 478 CA LEU A 33 -2.201 2.544 -7.853 1.00 0.00 C ATOM 479 C LEU A 33 -3.553 1.853 -8.032 1.00 0.00 C ATOM 480 O LEU A 33 -3.729 0.695 -7.657 1.00 0.00 O ATOM 481 CB LEU A 33 -2.345 3.684 -6.848 1.00 0.00 C ATOM 482 CG LEU A 33 -2.633 3.268 -5.418 1.00 0.00 C ATOM 483 CD1 LEU A 33 -1.411 2.594 -4.832 1.00 0.00 C ATOM 484 CD2 LEU A 33 -3.042 4.475 -4.594 1.00 0.00 C ATOM 0 H LEU A 33 -1.422 4.060 -9.060 1.00 0.00 H new ATOM 0 HA LEU A 33 -1.483 1.806 -7.494 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -1.427 4.271 -6.858 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -3.147 4.341 -7.184 1.00 0.00 H new ATOM 0 HG LEU A 33 -3.460 2.558 -5.404 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -1.618 2.295 -3.804 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -1.163 1.713 -5.423 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -0.571 3.288 -4.846 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -3.246 4.164 -3.569 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -2.235 5.208 -4.597 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -3.939 4.921 -5.023 1.00 0.00 H new ATOM 496 N TYR A 34 -4.507 2.586 -8.594 1.00 0.00 N ATOM 497 CA TYR A 34 -5.861 2.072 -8.817 1.00 0.00 C ATOM 498 C TYR A 34 -5.999 0.906 -9.830 1.00 0.00 C ATOM 499 O TYR A 34 -7.124 0.616 -10.234 1.00 0.00 O ATOM 500 CB TYR A 34 -6.801 3.215 -9.198 1.00 0.00 C ATOM 501 CG TYR A 34 -7.084 4.140 -8.035 1.00 0.00 C ATOM 502 CD1 TYR A 34 -7.138 3.643 -6.738 1.00 0.00 C ATOM 503 CD2 TYR A 34 -7.284 5.501 -8.224 1.00 0.00 C ATOM 504 CE1 TYR A 34 -7.378 4.472 -5.665 1.00 0.00 C ATOM 505 CE2 TYR A 34 -7.522 6.341 -7.151 1.00 0.00 C ATOM 506 CZ TYR A 34 -7.571 5.816 -5.874 1.00 0.00 C ATOM 507 OH TYR A 34 -7.800 6.641 -4.797 1.00 0.00 O ATOM 0 H TYR A 34 -4.370 3.547 -8.907 1.00 0.00 H new ATOM 0 HA TYR A 34 -6.141 1.630 -7.861 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -6.361 3.787 -10.015 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -7.740 2.802 -9.567 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -6.989 2.587 -6.569 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -7.253 5.910 -9.223 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -7.414 4.068 -4.664 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -7.668 7.399 -7.310 1.00 0.00 H new ATOM 0 HH TYR A 34 -7.916 7.563 -5.110 1.00 0.00 H new ATOM 517 N ASN A 35 -4.913 0.251 -10.279 1.00 0.00 N ATOM 518 CA ASN A 35 -5.063 -0.898 -11.176 1.00 0.00 C ATOM 519 C ASN A 35 -5.802 -2.024 -10.455 1.00 0.00 C ATOM 520 O ASN A 35 -5.210 -2.771 -9.676 1.00 0.00 O ATOM 521 CB ASN A 35 -3.705 -1.410 -11.671 1.00 0.00 C ATOM 522 CG ASN A 35 -2.997 -0.433 -12.590 1.00 0.00 C ATOM 523 OD1 ASN A 35 -3.632 0.360 -13.289 1.00 0.00 O ATOM 524 ND2 ASN A 35 -1.676 -0.498 -12.610 1.00 0.00 N ATOM 0 H ASN A 35 -3.951 0.492 -10.042 1.00 0.00 H new ATOM 0 HA ASN A 35 -5.637 -0.571 -12.043 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -3.067 -1.618 -10.812 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -3.849 -2.354 -12.197 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -1.144 0.123 -13.220 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -1.189 -1.169 -12.015 1.00 0.00 H new ATOM 531 N PHE A 36 -7.103 -2.127 -10.713 1.00 0.00 N ATOM 532 CA PHE A 36 -7.960 -3.071 -10.001 1.00 0.00 C ATOM 533 C PHE A 36 -7.721 -4.511 -10.444 1.00 0.00 C ATOM 534 O PHE A 36 -8.049 -5.451 -9.720 1.00 0.00 O ATOM 535 CB PHE A 36 -9.434 -2.703 -10.190 1.00 0.00 C ATOM 536 CG PHE A 36 -9.812 -1.382 -9.579 1.00 0.00 C ATOM 537 CD1 PHE A 36 -9.872 -1.231 -8.202 1.00 0.00 C ATOM 538 CD2 PHE A 36 -10.103 -0.290 -10.380 1.00 0.00 C ATOM 539 CE1 PHE A 36 -10.217 -0.016 -7.638 1.00 0.00 C ATOM 540 CE2 PHE A 36 -10.448 0.926 -9.822 1.00 0.00 C ATOM 541 CZ PHE A 36 -10.504 1.063 -8.450 1.00 0.00 C ATOM 0 H PHE A 36 -7.589 -1.566 -11.413 1.00 0.00 H new ATOM 0 HA PHE A 36 -7.703 -3.004 -8.944 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -9.659 -2.677 -11.256 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -10.053 -3.486 -9.752 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -9.647 -2.072 -7.562 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -10.060 -0.390 -11.454 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -10.262 0.088 -6.564 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -10.674 1.768 -10.459 1.00 0.00 H new ATOM 0 HZ PHE A 36 -10.772 2.013 -8.012 1.00 0.00 H new ATOM 551 N TRP A 37 -7.151 -4.686 -11.627 1.00 0.00 N ATOM 552 CA TRP A 37 -6.850 -6.019 -12.123 1.00 0.00 C ATOM 553 C TRP A 37 -5.608 -6.564 -11.429 1.00 0.00 C ATOM 554 O TRP A 37 -4.711 -5.802 -11.059 1.00 0.00 O ATOM 555 CB TRP A 37 -6.663 -6.011 -13.649 1.00 0.00 C ATOM 556 CG TRP A 37 -5.571 -5.103 -14.139 1.00 0.00 C ATOM 557 CD1 TRP A 37 -4.246 -5.409 -14.266 1.00 0.00 C ATOM 558 CD2 TRP A 37 -5.714 -3.750 -14.585 1.00 0.00 C ATOM 559 NE1 TRP A 37 -3.555 -4.328 -14.754 1.00 0.00 N ATOM 560 CE2 TRP A 37 -4.434 -3.297 -14.961 1.00 0.00 C ATOM 561 CE3 TRP A 37 -6.799 -2.876 -14.703 1.00 0.00 C ATOM 562 CZ2 TRP A 37 -4.212 -2.011 -15.444 1.00 0.00 C ATOM 563 CZ3 TRP A 37 -6.576 -1.600 -15.184 1.00 0.00 C ATOM 564 CH2 TRP A 37 -5.293 -1.178 -15.550 1.00 0.00 C ATOM 0 H TRP A 37 -6.890 -3.927 -12.257 1.00 0.00 H new ATOM 0 HA TRP A 37 -7.693 -6.671 -11.897 1.00 0.00 H new ATOM 0 HB2 TRP A 37 -6.450 -7.027 -13.981 1.00 0.00 H new ATOM 0 HB3 TRP A 37 -7.602 -5.714 -14.116 1.00 0.00 H new ATOM 0 HD1 TRP A 37 -3.806 -6.364 -14.018 1.00 0.00 H new ATOM 0 HE1 TRP A 37 -2.551 -4.297 -14.933 1.00 0.00 H new ATOM 0 HE3 TRP A 37 -7.793 -3.192 -14.423 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 -3.222 -1.682 -15.725 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 -7.407 -0.916 -15.279 1.00 0.00 H new ATOM 0 HH2 TRP A 37 -5.153 -0.174 -15.924 1.00 0.00 H new ATOM 575 N LYS A 38 -5.567 -7.875 -11.229 1.00 0.00 N ATOM 576 CA LYS A 38 -4.423 -8.514 -10.590 1.00 0.00 C ATOM 577 C LYS A 38 -3.247 -8.617 -11.558 1.00 0.00 C ATOM 578 O LYS A 38 -2.888 -9.702 -12.019 1.00 0.00 O ATOM 579 CB LYS A 38 -4.803 -9.893 -10.035 1.00 0.00 C ATOM 580 CG LYS A 38 -5.449 -10.823 -11.054 1.00 0.00 C ATOM 581 CD LYS A 38 -5.980 -12.091 -10.402 1.00 0.00 C ATOM 582 CE LYS A 38 -7.119 -11.784 -9.439 1.00 0.00 C ATOM 583 NZ LYS A 38 -7.710 -13.017 -8.857 1.00 0.00 N ATOM 0 H LYS A 38 -6.312 -8.517 -11.500 1.00 0.00 H new ATOM 0 HA LYS A 38 -4.114 -7.891 -9.751 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -3.907 -10.372 -9.640 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -5.488 -9.759 -9.198 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -6.265 -10.303 -11.556 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -4.720 -11.086 -11.820 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -6.328 -12.780 -11.172 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -5.174 -12.592 -9.867 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -6.751 -11.145 -8.636 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -7.894 -11.224 -9.962 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -8.481 -12.760 -8.208 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -8.085 -13.616 -9.620 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -6.978 -13.540 -8.335 1.00 0.00 H new ATOM 597 N ASP A 39 -2.705 -7.456 -11.898 1.00 0.00 N ATOM 598 CA ASP A 39 -1.528 -7.346 -12.766 1.00 0.00 C ATOM 599 C ASP A 39 -0.417 -8.365 -12.433 1.00 0.00 C ATOM 600 O ASP A 39 0.035 -9.067 -13.333 1.00 0.00 O ATOM 601 CB ASP A 39 -0.969 -5.923 -12.696 1.00 0.00 C ATOM 602 CG ASP A 39 -0.299 -5.499 -13.988 1.00 0.00 C ATOM 603 OD1 ASP A 39 0.709 -6.119 -14.370 1.00 0.00 O ATOM 604 OD2 ASP A 39 -0.784 -4.533 -14.622 1.00 0.00 O ATOM 0 H ASP A 39 -3.067 -6.556 -11.581 1.00 0.00 H new ATOM 0 HA ASP A 39 -1.863 -7.577 -13.777 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -1.777 -5.229 -12.465 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -0.250 -5.858 -11.879 1.00 0.00 H new ATOM 609 N ASP A 40 0.024 -8.447 -11.154 1.00 0.00 N ATOM 610 CA ASP A 40 1.111 -9.356 -10.743 1.00 0.00 C ATOM 611 C ASP A 40 2.454 -8.814 -11.250 1.00 0.00 C ATOM 612 O ASP A 40 3.456 -9.526 -11.348 1.00 0.00 O ATOM 613 CB ASP A 40 0.839 -10.796 -11.235 1.00 0.00 C ATOM 614 CG ASP A 40 1.870 -11.823 -10.782 1.00 0.00 C ATOM 615 OD1 ASP A 40 2.225 -11.849 -9.581 1.00 0.00 O ATOM 616 OD2 ASP A 40 2.302 -12.639 -11.626 1.00 0.00 O ATOM 0 H ASP A 40 -0.361 -7.891 -10.390 1.00 0.00 H new ATOM 0 HA ASP A 40 1.155 -9.400 -9.655 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -0.144 -11.107 -10.883 1.00 0.00 H new ATOM 0 HB3 ASP A 40 0.801 -10.793 -12.324 1.00 0.00 H new ATOM 621 N TYR A 41 2.456 -7.519 -11.544 1.00 0.00 N ATOM 622 CA TYR A 41 3.650 -6.819 -12.002 1.00 0.00 C ATOM 623 C TYR A 41 4.489 -6.359 -10.807 1.00 0.00 C ATOM 624 O TYR A 41 4.114 -6.560 -9.649 1.00 0.00 O ATOM 625 CB TYR A 41 3.261 -5.620 -12.896 1.00 0.00 C ATOM 626 CG TYR A 41 2.952 -4.330 -12.151 1.00 0.00 C ATOM 627 CD1 TYR A 41 2.281 -4.348 -10.940 1.00 0.00 C ATOM 628 CD2 TYR A 41 3.342 -3.096 -12.660 1.00 0.00 C ATOM 629 CE1 TYR A 41 2.002 -3.185 -10.251 1.00 0.00 C ATOM 630 CE2 TYR A 41 3.070 -1.924 -11.978 1.00 0.00 C ATOM 631 CZ TYR A 41 2.399 -1.973 -10.776 1.00 0.00 C ATOM 632 OH TYR A 41 2.135 -0.812 -10.087 1.00 0.00 O ATOM 0 H TYR A 41 1.630 -6.925 -11.472 1.00 0.00 H new ATOM 0 HA TYR A 41 4.252 -7.506 -12.597 1.00 0.00 H new ATOM 0 HB2 TYR A 41 4.075 -5.430 -13.596 1.00 0.00 H new ATOM 0 HB3 TYR A 41 2.389 -5.897 -13.488 1.00 0.00 H new ATOM 0 HD1 TYR A 41 1.968 -5.295 -10.525 1.00 0.00 H new ATOM 0 HD2 TYR A 41 3.866 -3.052 -13.603 1.00 0.00 H new ATOM 0 HE1 TYR A 41 1.477 -3.224 -9.308 1.00 0.00 H new ATOM 0 HE2 TYR A 41 3.382 -0.974 -12.386 1.00 0.00 H new ATOM 0 HH TYR A 41 1.965 -0.086 -10.723 1.00 0.00 H new ATOM 642 N VAL A 42 5.621 -5.747 -11.097 1.00 0.00 N ATOM 643 CA VAL A 42 6.502 -5.214 -10.076 1.00 0.00 C ATOM 644 C VAL A 42 6.123 -3.770 -9.764 1.00 0.00 C ATOM 645 O VAL A 42 6.025 -2.945 -10.672 1.00 0.00 O ATOM 646 CB VAL A 42 7.971 -5.265 -10.546 1.00 0.00 C ATOM 647 CG1 VAL A 42 8.918 -4.769 -9.463 1.00 0.00 C ATOM 648 CG2 VAL A 42 8.338 -6.670 -10.995 1.00 0.00 C ATOM 0 H VAL A 42 5.956 -5.605 -12.050 1.00 0.00 H new ATOM 0 HA VAL A 42 6.395 -5.823 -9.179 1.00 0.00 H new ATOM 0 HB VAL A 42 8.075 -4.595 -11.400 1.00 0.00 H new ATOM 0 HG11 VAL A 42 9.944 -4.818 -9.827 1.00 0.00 H new ATOM 0 HG12 VAL A 42 8.672 -3.738 -9.209 1.00 0.00 H new ATOM 0 HG13 VAL A 42 8.817 -5.395 -8.577 1.00 0.00 H new ATOM 0 HG21 VAL A 42 9.377 -6.687 -11.323 1.00 0.00 H new ATOM 0 HG22 VAL A 42 8.208 -7.363 -10.164 1.00 0.00 H new ATOM 0 HG23 VAL A 42 7.692 -6.969 -11.821 1.00 0.00 H new ATOM 658 N MET A 43 5.898 -3.470 -8.495 1.00 0.00 N ATOM 659 CA MET A 43 5.546 -2.121 -8.086 1.00 0.00 C ATOM 660 C MET A 43 6.768 -1.222 -8.210 1.00 0.00 C ATOM 661 O MET A 43 7.684 -1.288 -7.393 1.00 0.00 O ATOM 662 CB MET A 43 5.007 -2.129 -6.652 1.00 0.00 C ATOM 663 CG MET A 43 4.515 -0.779 -6.165 1.00 0.00 C ATOM 664 SD MET A 43 3.716 -0.879 -4.552 1.00 0.00 S ATOM 665 CE MET A 43 2.302 -1.908 -4.938 1.00 0.00 C ATOM 0 H MET A 43 5.953 -4.143 -7.731 1.00 0.00 H new ATOM 0 HA MET A 43 4.761 -1.733 -8.735 1.00 0.00 H new ATOM 0 HB2 MET A 43 4.189 -2.846 -6.587 1.00 0.00 H new ATOM 0 HB3 MET A 43 5.792 -2.480 -5.983 1.00 0.00 H new ATOM 0 HG2 MET A 43 5.356 -0.088 -6.109 1.00 0.00 H new ATOM 0 HG3 MET A 43 3.813 -0.368 -6.890 1.00 0.00 H new ATOM 0 HE1 MET A 43 1.616 -1.917 -4.091 1.00 0.00 H new ATOM 0 HE2 MET A 43 1.791 -1.510 -5.815 1.00 0.00 H new ATOM 0 HE3 MET A 43 2.637 -2.925 -5.144 1.00 0.00 H new ATOM 675 N THR A 44 6.790 -0.411 -9.256 1.00 0.00 N ATOM 676 CA THR A 44 7.962 0.381 -9.581 1.00 0.00 C ATOM 677 C THR A 44 8.009 1.690 -8.796 1.00 0.00 C ATOM 678 O THR A 44 9.072 2.092 -8.316 1.00 0.00 O ATOM 679 CB THR A 44 8.013 0.666 -11.093 1.00 0.00 C ATOM 680 OG1 THR A 44 6.677 0.804 -11.606 1.00 0.00 O ATOM 681 CG2 THR A 44 8.742 -0.450 -11.832 1.00 0.00 C ATOM 0 H THR A 44 6.005 -0.285 -9.896 1.00 0.00 H new ATOM 0 HA THR A 44 8.836 -0.203 -9.294 1.00 0.00 H new ATOM 0 HB THR A 44 8.561 1.595 -11.252 1.00 0.00 H new ATOM 0 HG1 THR A 44 6.713 0.987 -12.568 1.00 0.00 H new ATOM 0 HG21 THR A 44 8.765 -0.226 -12.898 1.00 0.00 H new ATOM 0 HG22 THR A 44 9.762 -0.530 -11.456 1.00 0.00 H new ATOM 0 HG23 THR A 44 8.221 -1.394 -11.671 1.00 0.00 H new ATOM 689 N ASP A 45 6.868 2.350 -8.645 1.00 0.00 N ATOM 690 CA ASP A 45 6.836 3.593 -7.892 1.00 0.00 C ATOM 691 C ASP A 45 6.584 3.313 -6.426 1.00 0.00 C ATOM 692 O ASP A 45 5.544 2.780 -6.037 1.00 0.00 O ATOM 693 CB ASP A 45 5.786 4.552 -8.438 1.00 0.00 C ATOM 694 CG ASP A 45 6.138 5.992 -8.117 1.00 0.00 C ATOM 695 OD1 ASP A 45 6.185 6.347 -6.922 1.00 0.00 O ATOM 696 OD2 ASP A 45 6.408 6.765 -9.065 1.00 0.00 O ATOM 0 H ASP A 45 5.970 2.052 -9.026 1.00 0.00 H new ATOM 0 HA ASP A 45 7.809 4.072 -7.999 1.00 0.00 H new ATOM 0 HB2 ASP A 45 5.702 4.427 -9.518 1.00 0.00 H new ATOM 0 HB3 ASP A 45 4.812 4.310 -8.013 1.00 0.00 H new ATOM 701 N ARG A 46 7.577 3.669 -5.636 1.00 0.00 N ATOM 702 CA ARG A 46 7.518 3.565 -4.177 1.00 0.00 C ATOM 703 C ARG A 46 6.300 4.279 -3.595 1.00 0.00 C ATOM 704 O ARG A 46 5.696 3.801 -2.638 1.00 0.00 O ATOM 705 CB ARG A 46 8.787 4.147 -3.541 1.00 0.00 C ATOM 706 CG ARG A 46 8.946 5.659 -3.699 1.00 0.00 C ATOM 707 CD ARG A 46 9.300 6.049 -5.121 1.00 0.00 C ATOM 708 NE ARG A 46 10.733 5.931 -5.375 1.00 0.00 N ATOM 709 CZ ARG A 46 11.446 6.855 -6.017 1.00 0.00 C ATOM 710 NH1 ARG A 46 10.838 7.906 -6.555 1.00 0.00 N ATOM 711 NH2 ARG A 46 12.761 6.722 -6.131 1.00 0.00 N ATOM 0 H ARG A 46 8.460 4.043 -5.984 1.00 0.00 H new ATOM 0 HA ARG A 46 7.437 2.503 -3.945 1.00 0.00 H new ATOM 0 HB2 ARG A 46 8.788 3.905 -2.478 1.00 0.00 H new ATOM 0 HB3 ARG A 46 9.655 3.656 -3.981 1.00 0.00 H new ATOM 0 HG2 ARG A 46 8.019 6.153 -3.408 1.00 0.00 H new ATOM 0 HG3 ARG A 46 9.723 6.014 -3.022 1.00 0.00 H new ATOM 0 HD2 ARG A 46 8.754 5.414 -5.819 1.00 0.00 H new ATOM 0 HD3 ARG A 46 8.981 7.075 -5.307 1.00 0.00 H new ATOM 0 HE ARG A 46 11.214 5.095 -5.043 1.00 0.00 H new ATOM 0 HH11 ARG A 46 9.826 8.005 -6.476 1.00 0.00 H new ATOM 0 HH12 ARG A 46 11.383 8.614 -7.047 1.00 0.00 H new ATOM 0 HH21 ARG A 46 13.229 5.911 -5.727 1.00 0.00 H new ATOM 0 HH22 ARG A 46 13.305 7.431 -6.623 1.00 0.00 H new ATOM 725 N LEU A 47 5.941 5.416 -4.184 1.00 0.00 N ATOM 726 CA LEU A 47 4.884 6.254 -3.681 1.00 0.00 C ATOM 727 C LEU A 47 3.522 5.546 -3.798 1.00 0.00 C ATOM 728 O LEU A 47 2.550 5.906 -3.121 1.00 0.00 O ATOM 729 CB LEU A 47 4.964 7.596 -4.433 1.00 0.00 C ATOM 730 CG LEU A 47 3.807 8.540 -4.276 1.00 0.00 C ATOM 731 CD1 LEU A 47 3.602 8.879 -2.824 1.00 0.00 C ATOM 732 CD2 LEU A 47 4.070 9.793 -5.082 1.00 0.00 C ATOM 0 H LEU A 47 6.385 5.775 -5.029 1.00 0.00 H new ATOM 0 HA LEU A 47 4.999 6.453 -2.616 1.00 0.00 H new ATOM 0 HB2 LEU A 47 5.868 8.112 -4.108 1.00 0.00 H new ATOM 0 HB3 LEU A 47 5.084 7.382 -5.495 1.00 0.00 H new ATOM 0 HG LEU A 47 2.899 8.063 -4.644 1.00 0.00 H new ATOM 0 HD11 LEU A 47 2.760 9.564 -2.726 1.00 0.00 H new ATOM 0 HD12 LEU A 47 3.396 7.967 -2.263 1.00 0.00 H new ATOM 0 HD13 LEU A 47 4.502 9.351 -2.430 1.00 0.00 H new ATOM 0 HD21 LEU A 47 3.232 10.480 -4.970 1.00 0.00 H new ATOM 0 HD22 LEU A 47 4.982 10.271 -4.724 1.00 0.00 H new ATOM 0 HD23 LEU A 47 4.187 9.531 -6.134 1.00 0.00 H new ATOM 744 N ALA A 48 3.479 4.479 -4.593 1.00 0.00 N ATOM 745 CA ALA A 48 2.291 3.661 -4.704 1.00 0.00 C ATOM 746 C ALA A 48 2.249 2.725 -3.517 1.00 0.00 C ATOM 747 O ALA A 48 1.242 2.624 -2.825 1.00 0.00 O ATOM 748 CB ALA A 48 2.300 2.888 -6.009 1.00 0.00 C ATOM 0 H ALA A 48 4.261 4.166 -5.169 1.00 0.00 H new ATOM 0 HA ALA A 48 1.400 4.289 -4.705 1.00 0.00 H new ATOM 0 HB1 ALA A 48 1.399 2.278 -6.077 1.00 0.00 H new ATOM 0 HB2 ALA A 48 2.329 3.586 -6.845 1.00 0.00 H new ATOM 0 HB3 ALA A 48 3.178 2.244 -6.044 1.00 0.00 H new ATOM 754 N GLY A 49 3.361 2.028 -3.312 1.00 0.00 N ATOM 755 CA GLY A 49 3.598 1.322 -2.060 1.00 0.00 C ATOM 756 C GLY A 49 3.161 2.090 -0.809 1.00 0.00 C ATOM 757 O GLY A 49 2.526 1.507 0.069 1.00 0.00 O ATOM 0 H GLY A 49 4.112 1.937 -3.997 1.00 0.00 H new ATOM 0 HA2 GLY A 49 3.071 0.369 -2.089 1.00 0.00 H new ATOM 0 HA3 GLY A 49 4.661 1.096 -1.980 1.00 0.00 H new ATOM 761 N CYS A 50 3.490 3.384 -0.703 1.00 0.00 N ATOM 762 CA CYS A 50 3.047 4.177 0.433 1.00 0.00 C ATOM 763 C CYS A 50 1.517 4.243 0.463 1.00 0.00 C ATOM 764 O CYS A 50 0.877 3.967 1.493 1.00 0.00 O ATOM 765 CB CYS A 50 3.600 5.603 0.305 1.00 0.00 C ATOM 766 SG CYS A 50 5.321 5.708 -0.295 1.00 0.00 S ATOM 0 H CYS A 50 4.054 3.892 -1.384 1.00 0.00 H new ATOM 0 HA CYS A 50 3.410 3.713 1.350 1.00 0.00 H new ATOM 0 HB2 CYS A 50 2.959 6.166 -0.373 1.00 0.00 H new ATOM 0 HB3 CYS A 50 3.540 6.089 1.279 1.00 0.00 H new ATOM 771 N ALA A 51 0.928 4.515 -0.696 1.00 0.00 N ATOM 772 CA ALA A 51 -0.513 4.704 -0.786 1.00 0.00 C ATOM 773 C ALA A 51 -1.259 3.382 -0.823 1.00 0.00 C ATOM 774 O ALA A 51 -2.486 3.358 -0.922 1.00 0.00 O ATOM 775 CB ALA A 51 -0.865 5.555 -1.997 1.00 0.00 C ATOM 0 H ALA A 51 1.424 4.609 -1.582 1.00 0.00 H new ATOM 0 HA ALA A 51 -0.830 5.228 0.115 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -1.946 5.686 -2.048 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -0.385 6.530 -1.908 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -0.516 5.060 -2.903 1.00 0.00 H new ATOM 781 N ILE A 52 -0.521 2.286 -0.734 1.00 0.00 N ATOM 782 CA ILE A 52 -1.135 0.976 -0.623 1.00 0.00 C ATOM 783 C ILE A 52 -1.947 0.907 0.669 1.00 0.00 C ATOM 784 O ILE A 52 -2.921 0.156 0.771 1.00 0.00 O ATOM 785 CB ILE A 52 -0.081 -0.170 -0.680 1.00 0.00 C ATOM 786 CG1 ILE A 52 -0.605 -1.323 -1.538 1.00 0.00 C ATOM 787 CG2 ILE A 52 0.283 -0.686 0.711 1.00 0.00 C ATOM 788 CD1 ILE A 52 -0.912 -0.927 -2.966 1.00 0.00 C ATOM 0 H ILE A 52 0.499 2.279 -0.737 1.00 0.00 H new ATOM 0 HA ILE A 52 -1.797 0.834 -1.477 1.00 0.00 H new ATOM 0 HB ILE A 52 0.823 0.242 -1.127 1.00 0.00 H new ATOM 0 HG12 ILE A 52 0.133 -2.125 -1.543 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -1.509 -1.724 -1.079 1.00 0.00 H new ATOM 0 HG21 ILE A 52 1.020 -1.484 0.622 1.00 0.00 H new ATOM 0 HG22 ILE A 52 0.699 0.128 1.304 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -0.611 -1.072 1.201 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -1.279 -1.795 -3.514 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -1.673 -0.147 -2.972 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -0.006 -0.554 -3.443 1.00 0.00 H new ATOM 800 N ASN A 53 -1.540 1.704 1.658 1.00 0.00 N ATOM 801 CA ASN A 53 -2.298 1.816 2.896 1.00 0.00 C ATOM 802 C ASN A 53 -2.174 3.219 3.468 1.00 0.00 C ATOM 803 O ASN A 53 -1.291 3.493 4.281 1.00 0.00 O ATOM 804 CB ASN A 53 -1.844 0.780 3.927 1.00 0.00 C ATOM 805 CG ASN A 53 -2.750 0.750 5.145 1.00 0.00 C ATOM 806 OD1 ASN A 53 -3.942 1.050 5.056 1.00 0.00 O ATOM 807 ND2 ASN A 53 -2.194 0.389 6.290 1.00 0.00 N ATOM 0 H ASN A 53 -0.696 2.276 1.623 1.00 0.00 H new ATOM 0 HA ASN A 53 -3.345 1.619 2.664 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -1.826 -0.207 3.465 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -0.824 1.004 4.240 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -2.756 0.352 7.140 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -1.203 0.148 6.322 1.00 0.00 H new ATOM 814 N CYS A 54 -3.028 4.120 3.017 1.00 0.00 N ATOM 815 CA CYS A 54 -2.966 5.500 3.466 1.00 0.00 C ATOM 816 C CYS A 54 -4.037 5.797 4.515 1.00 0.00 C ATOM 817 O CYS A 54 -3.751 6.391 5.553 1.00 0.00 O ATOM 818 CB CYS A 54 -3.112 6.451 2.276 1.00 0.00 C ATOM 819 SG CYS A 54 -4.593 6.157 1.252 1.00 0.00 S ATOM 0 H CYS A 54 -3.769 3.923 2.344 1.00 0.00 H new ATOM 0 HA CYS A 54 -1.992 5.656 3.931 1.00 0.00 H new ATOM 0 HB2 CYS A 54 -3.139 7.476 2.647 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -2.227 6.364 1.646 1.00 0.00 H new ATOM 824 N LEU A 55 -5.261 5.346 4.260 1.00 0.00 N ATOM 825 CA LEU A 55 -6.401 5.688 5.112 1.00 0.00 C ATOM 826 C LEU A 55 -6.308 5.003 6.471 1.00 0.00 C ATOM 827 O LEU A 55 -6.491 5.635 7.515 1.00 0.00 O ATOM 828 CB LEU A 55 -7.713 5.313 4.420 1.00 0.00 C ATOM 829 CG LEU A 55 -8.638 6.489 4.085 1.00 0.00 C ATOM 830 CD1 LEU A 55 -9.852 6.001 3.317 1.00 0.00 C ATOM 831 CD2 LEU A 55 -9.068 7.207 5.354 1.00 0.00 C ATOM 0 H LEU A 55 -5.492 4.743 3.471 1.00 0.00 H new ATOM 0 HA LEU A 55 -6.380 6.765 5.278 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -7.479 4.782 3.497 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -8.255 4.616 5.059 1.00 0.00 H new ATOM 0 HG LEU A 55 -8.090 7.193 3.460 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -10.500 6.846 3.086 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -9.530 5.527 2.390 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -10.400 5.279 3.923 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -9.724 8.039 5.097 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -9.601 6.512 6.003 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -8.188 7.586 5.874 1.00 0.00 H new ATOM 843 N ALA A 56 -5.963 3.725 6.462 1.00 0.00 N ATOM 844 CA ALA A 56 -5.943 2.947 7.691 1.00 0.00 C ATOM 845 C ALA A 56 -4.661 3.212 8.462 1.00 0.00 C ATOM 846 O ALA A 56 -4.544 2.869 9.636 1.00 0.00 O ATOM 847 CB ALA A 56 -6.088 1.465 7.384 1.00 0.00 C ATOM 0 H ALA A 56 -5.695 3.208 5.625 1.00 0.00 H new ATOM 0 HA ALA A 56 -6.787 3.252 8.310 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -6.071 0.897 8.314 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -7.033 1.291 6.870 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -5.264 1.143 6.747 1.00 0.00 H new ATOM 853 N THR A 57 -3.708 3.845 7.793 1.00 0.00 N ATOM 854 CA THR A 57 -2.497 4.289 8.449 1.00 0.00 C ATOM 855 C THR A 57 -2.733 5.636 9.137 1.00 0.00 C ATOM 856 O THR A 57 -2.227 5.885 10.231 1.00 0.00 O ATOM 857 CB THR A 57 -1.320 4.386 7.456 1.00 0.00 C ATOM 858 OG1 THR A 57 -1.051 3.099 6.892 1.00 0.00 O ATOM 859 CG2 THR A 57 -0.076 4.910 8.137 1.00 0.00 C ATOM 0 H THR A 57 -3.754 4.060 6.797 1.00 0.00 H new ATOM 0 HA THR A 57 -2.231 3.548 9.203 1.00 0.00 H new ATOM 0 HB THR A 57 -1.600 5.082 6.665 1.00 0.00 H new ATOM 0 HG1 THR A 57 -1.259 3.112 5.934 1.00 0.00 H new ATOM 0 HG21 THR A 57 0.738 4.968 7.414 1.00 0.00 H new ATOM 0 HG22 THR A 57 -0.273 5.903 8.542 1.00 0.00 H new ATOM 0 HG23 THR A 57 0.206 4.237 8.947 1.00 0.00 H new ATOM 867 N LYS A 58 -3.530 6.493 8.507 1.00 0.00 N ATOM 868 CA LYS A 58 -3.863 7.782 9.092 1.00 0.00 C ATOM 869 C LYS A 58 -4.808 7.631 10.281 1.00 0.00 C ATOM 870 O LYS A 58 -4.892 8.524 11.123 1.00 0.00 O ATOM 871 CB LYS A 58 -4.471 8.699 8.036 1.00 0.00 C ATOM 872 CG LYS A 58 -3.444 9.223 7.047 1.00 0.00 C ATOM 873 CD LYS A 58 -4.082 10.064 5.951 1.00 0.00 C ATOM 874 CE LYS A 58 -4.877 11.234 6.515 1.00 0.00 C ATOM 875 NZ LYS A 58 -4.068 12.078 7.436 1.00 0.00 N ATOM 0 H LYS A 58 -3.954 6.317 7.596 1.00 0.00 H new ATOM 0 HA LYS A 58 -2.941 8.231 9.461 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -5.246 8.157 7.494 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -4.956 9.541 8.529 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -2.703 9.821 7.577 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -2.914 8.384 6.597 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -3.305 10.441 5.286 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -4.739 9.436 5.349 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -5.246 11.848 5.694 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -5.750 10.854 7.047 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -4.397 13.063 7.383 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -4.174 11.729 8.410 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -3.067 12.032 7.159 1.00 0.00 H new ATOM 889 N LEU A 59 -5.519 6.506 10.343 1.00 0.00 N ATOM 890 CA LEU A 59 -6.382 6.213 11.479 1.00 0.00 C ATOM 891 C LEU A 59 -5.571 6.026 12.761 1.00 0.00 C ATOM 892 O LEU A 59 -5.671 6.831 13.686 1.00 0.00 O ATOM 893 CB LEU A 59 -7.210 4.956 11.208 1.00 0.00 C ATOM 894 CG LEU A 59 -8.213 5.072 10.062 1.00 0.00 C ATOM 895 CD1 LEU A 59 -9.068 3.819 9.982 1.00 0.00 C ATOM 896 CD2 LEU A 59 -9.078 6.308 10.246 1.00 0.00 C ATOM 0 H LEU A 59 -5.513 5.786 9.620 1.00 0.00 H new ATOM 0 HA LEU A 59 -7.049 7.065 11.615 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -6.530 4.132 10.992 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -7.751 4.693 12.117 1.00 0.00 H new ATOM 0 HG LEU A 59 -7.668 5.172 9.123 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -9.778 3.915 9.161 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -8.429 2.953 9.809 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -9.611 3.689 10.918 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -9.789 6.380 9.423 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -9.620 6.236 11.189 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -8.446 7.196 10.258 1.00 0.00 H new ATOM 908 N ASP A 60 -4.756 4.975 12.802 1.00 0.00 N ATOM 909 CA ASP A 60 -3.983 4.641 14.002 1.00 0.00 C ATOM 910 C ASP A 60 -3.060 3.464 13.725 1.00 0.00 C ATOM 911 O ASP A 60 -3.533 2.352 13.492 1.00 0.00 O ATOM 912 CB ASP A 60 -4.920 4.285 15.163 1.00 0.00 C ATOM 913 CG ASP A 60 -4.183 4.067 16.470 1.00 0.00 C ATOM 914 OD1 ASP A 60 -3.789 2.920 16.761 1.00 0.00 O ATOM 915 OD2 ASP A 60 -4.017 5.046 17.230 1.00 0.00 O ATOM 0 H ASP A 60 -4.612 4.338 12.019 1.00 0.00 H new ATOM 0 HA ASP A 60 -3.388 5.512 14.275 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -5.650 5.084 15.292 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -5.477 3.382 14.911 1.00 0.00 H new ATOM 920 N VAL A 61 -1.752 3.706 13.739 1.00 0.00 N ATOM 921 CA VAL A 61 -0.792 2.651 13.430 1.00 0.00 C ATOM 922 C VAL A 61 0.657 3.136 13.621 1.00 0.00 C ATOM 923 O VAL A 61 1.582 2.691 12.939 1.00 0.00 O ATOM 924 CB VAL A 61 -1.004 2.176 11.971 1.00 0.00 C ATOM 925 CG1 VAL A 61 -0.657 3.282 10.997 1.00 0.00 C ATOM 926 CG2 VAL A 61 -0.203 0.923 11.667 1.00 0.00 C ATOM 0 H VAL A 61 -1.337 4.611 13.958 1.00 0.00 H new ATOM 0 HA VAL A 61 -0.958 1.822 14.118 1.00 0.00 H new ATOM 0 HB VAL A 61 -2.059 1.926 11.855 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -0.812 2.930 9.977 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -1.296 4.145 11.184 1.00 0.00 H new ATOM 0 HG13 VAL A 61 0.387 3.568 11.128 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -0.378 0.621 10.634 1.00 0.00 H new ATOM 0 HG22 VAL A 61 0.858 1.126 11.811 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -0.513 0.121 12.337 1.00 0.00 H new ATOM 936 N VAL A 62 0.884 4.016 14.581 1.00 0.00 N ATOM 937 CA VAL A 62 2.226 4.550 14.755 1.00 0.00 C ATOM 938 C VAL A 62 2.925 3.905 15.959 1.00 0.00 C ATOM 939 O VAL A 62 2.417 3.921 17.080 1.00 0.00 O ATOM 940 CB VAL A 62 2.243 6.104 14.850 1.00 0.00 C ATOM 941 CG1 VAL A 62 1.302 6.729 13.832 1.00 0.00 C ATOM 942 CG2 VAL A 62 1.946 6.620 16.250 1.00 0.00 C ATOM 0 H VAL A 62 0.183 4.368 15.233 1.00 0.00 H new ATOM 0 HA VAL A 62 2.789 4.290 13.859 1.00 0.00 H new ATOM 0 HB VAL A 62 3.262 6.410 14.615 1.00 0.00 H new ATOM 0 HG11 VAL A 62 1.336 7.815 13.923 1.00 0.00 H new ATOM 0 HG12 VAL A 62 1.609 6.440 12.827 1.00 0.00 H new ATOM 0 HG13 VAL A 62 0.285 6.381 14.015 1.00 0.00 H new ATOM 0 HG21 VAL A 62 1.973 7.710 16.249 1.00 0.00 H new ATOM 0 HG22 VAL A 62 0.958 6.281 16.560 1.00 0.00 H new ATOM 0 HG23 VAL A 62 2.695 6.239 16.945 1.00 0.00 H new ATOM 952 N ASP A 63 4.065 3.263 15.700 1.00 0.00 N ATOM 953 CA ASP A 63 4.864 2.660 16.763 1.00 0.00 C ATOM 954 C ASP A 63 5.554 3.723 17.628 1.00 0.00 C ATOM 955 O ASP A 63 5.364 3.748 18.843 1.00 0.00 O ATOM 956 CB ASP A 63 5.916 1.708 16.175 1.00 0.00 C ATOM 957 CG ASP A 63 6.199 0.525 17.075 1.00 0.00 C ATOM 958 OD1 ASP A 63 5.513 -0.504 16.937 1.00 0.00 O ATOM 959 OD2 ASP A 63 7.117 0.613 17.911 1.00 0.00 O ATOM 0 H ASP A 63 4.454 3.148 14.764 1.00 0.00 H new ATOM 0 HA ASP A 63 4.182 2.096 17.399 1.00 0.00 H new ATOM 0 HB2 ASP A 63 5.573 1.348 15.205 1.00 0.00 H new ATOM 0 HB3 ASP A 63 6.841 2.257 16.002 1.00 0.00 H new ATOM 964 N PRO A 64 6.357 4.628 17.025 1.00 0.00 N ATOM 965 CA PRO A 64 7.197 5.561 17.758 1.00 0.00 C ATOM 966 C PRO A 64 6.553 6.938 17.916 1.00 0.00 C ATOM 967 O PRO A 64 5.348 7.052 18.148 1.00 0.00 O ATOM 968 CB PRO A 64 8.443 5.641 16.854 1.00 0.00 C ATOM 969 CG PRO A 64 8.044 5.027 15.539 1.00 0.00 C ATOM 970 CD PRO A 64 6.555 4.847 15.594 1.00 0.00 C ATOM 0 HA PRO A 64 7.395 5.239 18.780 1.00 0.00 H new ATOM 0 HB2 PRO A 64 8.762 6.675 16.721 1.00 0.00 H new ATOM 0 HB3 PRO A 64 9.281 5.103 17.297 1.00 0.00 H new ATOM 0 HG2 PRO A 64 8.327 5.671 14.707 1.00 0.00 H new ATOM 0 HG3 PRO A 64 8.546 4.071 15.388 1.00 0.00 H new ATOM 0 HD2 PRO A 64 6.019 5.725 15.232 1.00 0.00 H new ATOM 0 HD3 PRO A 64 6.219 4.000 14.996 1.00 0.00 H new ATOM 978 N ASP A 65 7.367 7.979 17.761 1.00 0.00 N ATOM 979 CA ASP A 65 6.955 9.365 18.010 1.00 0.00 C ATOM 980 C ASP A 65 6.074 9.921 16.891 1.00 0.00 C ATOM 981 O ASP A 65 5.824 11.123 16.829 1.00 0.00 O ATOM 982 CB ASP A 65 8.193 10.254 18.159 1.00 0.00 C ATOM 983 CG ASP A 65 9.099 9.813 19.288 1.00 0.00 C ATOM 984 OD1 ASP A 65 8.611 9.652 20.425 1.00 0.00 O ATOM 985 OD2 ASP A 65 10.310 9.614 19.035 1.00 0.00 O ATOM 0 H ASP A 65 8.337 7.888 17.458 1.00 0.00 H new ATOM 0 HA ASP A 65 6.369 9.366 18.929 1.00 0.00 H new ATOM 0 HB2 ASP A 65 8.754 10.247 17.225 1.00 0.00 H new ATOM 0 HB3 ASP A 65 7.877 11.283 18.333 1.00 0.00 H new ATOM 990 N GLY A 66 5.609 9.053 16.013 1.00 0.00 N ATOM 991 CA GLY A 66 4.870 9.496 14.849 1.00 0.00 C ATOM 992 C GLY A 66 5.397 8.848 13.587 1.00 0.00 C ATOM 993 O GLY A 66 4.768 7.961 13.009 1.00 0.00 O ATOM 0 H GLY A 66 5.729 8.043 16.084 1.00 0.00 H new ATOM 0 HA2 GLY A 66 3.814 9.254 14.972 1.00 0.00 H new ATOM 0 HA3 GLY A 66 4.941 10.580 14.761 1.00 0.00 H new ATOM 997 N ASN A 67 6.579 9.284 13.192 1.00 0.00 N ATOM 998 CA ASN A 67 7.253 8.794 11.993 1.00 0.00 C ATOM 999 C ASN A 67 7.892 7.427 12.228 1.00 0.00 C ATOM 1000 O ASN A 67 8.178 7.061 13.366 1.00 0.00 O ATOM 1001 CB ASN A 67 8.328 9.801 11.578 1.00 0.00 C ATOM 1002 CG ASN A 67 9.159 10.271 12.762 1.00 0.00 C ATOM 1003 OD1 ASN A 67 8.798 11.235 13.437 1.00 0.00 O ATOM 1004 ND2 ASN A 67 10.265 9.599 13.033 1.00 0.00 N ATOM 0 H ASN A 67 7.108 9.996 13.696 1.00 0.00 H new ATOM 0 HA ASN A 67 6.512 8.683 11.202 1.00 0.00 H new ATOM 0 HB2 ASN A 67 8.982 9.346 10.834 1.00 0.00 H new ATOM 0 HB3 ASN A 67 7.855 10.661 11.104 1.00 0.00 H new ATOM 0 HD21 ASN A 67 10.849 9.875 13.823 1.00 0.00 H new ATOM 0 HD22 ASN A 67 10.534 8.805 12.452 1.00 0.00 H new ATOM 1011 N LEU A 68 8.087 6.679 11.140 1.00 0.00 N ATOM 1012 CA LEU A 68 8.819 5.405 11.165 1.00 0.00 C ATOM 1013 C LEU A 68 8.039 4.316 11.899 1.00 0.00 C ATOM 1014 O LEU A 68 8.603 3.515 12.643 1.00 0.00 O ATOM 1015 CB LEU A 68 10.217 5.581 11.782 1.00 0.00 C ATOM 1016 CG LEU A 68 11.333 5.993 10.810 1.00 0.00 C ATOM 1017 CD1 LEU A 68 11.613 4.880 9.812 1.00 0.00 C ATOM 1018 CD2 LEU A 68 10.979 7.280 10.077 1.00 0.00 C ATOM 0 H LEU A 68 7.743 6.937 10.215 1.00 0.00 H new ATOM 0 HA LEU A 68 8.939 5.084 10.130 1.00 0.00 H new ATOM 0 HB2 LEU A 68 10.153 6.331 12.570 1.00 0.00 H new ATOM 0 HB3 LEU A 68 10.504 4.643 12.257 1.00 0.00 H new ATOM 0 HG LEU A 68 12.234 6.173 11.397 1.00 0.00 H new ATOM 0 HD11 LEU A 68 12.406 5.192 9.133 1.00 0.00 H new ATOM 0 HD12 LEU A 68 11.924 3.982 10.346 1.00 0.00 H new ATOM 0 HD13 LEU A 68 10.709 4.667 9.241 1.00 0.00 H new ATOM 0 HD21 LEU A 68 11.788 7.546 9.397 1.00 0.00 H new ATOM 0 HD22 LEU A 68 10.060 7.134 9.509 1.00 0.00 H new ATOM 0 HD23 LEU A 68 10.835 8.083 10.800 1.00 0.00 H new ATOM 1030 N HIS A 69 6.738 4.271 11.657 1.00 0.00 N ATOM 1031 CA HIS A 69 5.884 3.243 12.240 1.00 0.00 C ATOM 1032 C HIS A 69 6.025 1.918 11.490 1.00 0.00 C ATOM 1033 O HIS A 69 5.215 1.587 10.629 1.00 0.00 O ATOM 1034 CB HIS A 69 4.415 3.697 12.273 1.00 0.00 C ATOM 1035 CG HIS A 69 3.959 4.456 11.055 1.00 0.00 C ATOM 1036 ND1 HIS A 69 3.599 3.851 9.868 1.00 0.00 N ATOM 1037 CD2 HIS A 69 3.809 5.788 10.852 1.00 0.00 C ATOM 1038 CE1 HIS A 69 3.252 4.778 8.993 1.00 0.00 C ATOM 1039 NE2 HIS A 69 3.372 5.958 9.567 1.00 0.00 N ATOM 0 H HIS A 69 6.247 4.936 11.059 1.00 0.00 H new ATOM 0 HA HIS A 69 6.212 3.085 13.267 1.00 0.00 H new ATOM 0 HB2 HIS A 69 3.781 2.819 12.394 1.00 0.00 H new ATOM 0 HB3 HIS A 69 4.263 4.324 13.152 1.00 0.00 H new ATOM 0 HD1 HIS A 69 3.601 2.846 9.694 1.00 0.00 H new ATOM 0 HD2 HIS A 69 3.999 6.570 11.572 1.00 0.00 H new ATOM 0 HE1 HIS A 69 2.925 4.599 7.979 1.00 0.00 H new ATOM 1048 N HIS A 70 7.089 1.191 11.805 1.00 0.00 N ATOM 1049 CA HIS A 70 7.390 -0.086 11.161 1.00 0.00 C ATOM 1050 C HIS A 70 6.685 -1.266 11.858 1.00 0.00 C ATOM 1051 O HIS A 70 5.834 -1.939 11.259 1.00 0.00 O ATOM 1052 CB HIS A 70 8.917 -0.270 11.143 1.00 0.00 C ATOM 1053 CG HIS A 70 9.391 -1.637 10.756 1.00 0.00 C ATOM 1054 ND1 HIS A 70 9.404 -2.102 9.459 1.00 0.00 N ATOM 1055 CD2 HIS A 70 9.879 -2.635 11.520 1.00 0.00 C ATOM 1056 CE1 HIS A 70 9.875 -3.335 9.447 1.00 0.00 C ATOM 1057 NE2 HIS A 70 10.173 -3.681 10.684 1.00 0.00 N ATOM 0 H HIS A 70 7.769 1.468 12.513 1.00 0.00 H new ATOM 0 HA HIS A 70 7.008 -0.073 10.140 1.00 0.00 H new ATOM 0 HB2 HIS A 70 9.346 0.455 10.451 1.00 0.00 H new ATOM 0 HB3 HIS A 70 9.307 -0.035 12.133 1.00 0.00 H new ATOM 0 HD2 HIS A 70 10.013 -2.614 12.591 1.00 0.00 H new ATOM 0 HE1 HIS A 70 9.996 -3.956 8.572 1.00 0.00 H new ATOM 0 HE2 HIS A 70 10.559 -4.580 10.972 1.00 0.00 H new ATOM 1066 N GLY A 71 7.028 -1.496 13.126 1.00 0.00 N ATOM 1067 CA GLY A 71 6.473 -2.620 13.874 1.00 0.00 C ATOM 1068 C GLY A 71 4.969 -2.570 13.968 1.00 0.00 C ATOM 1069 O GLY A 71 4.285 -3.518 13.579 1.00 0.00 O ATOM 0 H GLY A 71 7.685 -0.921 13.653 1.00 0.00 H new ATOM 0 HA2 GLY A 71 6.772 -3.553 13.396 1.00 0.00 H new ATOM 0 HA3 GLY A 71 6.896 -2.627 14.879 1.00 0.00 H new ATOM 1073 N ASN A 72 4.461 -1.456 14.462 1.00 0.00 N ATOM 1074 CA ASN A 72 3.018 -1.272 14.630 1.00 0.00 C ATOM 1075 C ASN A 72 2.273 -1.478 13.310 1.00 0.00 C ATOM 1076 O ASN A 72 1.175 -2.009 13.300 1.00 0.00 O ATOM 1077 CB ASN A 72 2.709 0.122 15.186 1.00 0.00 C ATOM 1078 CG ASN A 72 1.360 0.195 15.892 1.00 0.00 C ATOM 1079 OD1 ASN A 72 0.409 -0.495 15.531 1.00 0.00 O ATOM 1080 ND2 ASN A 72 1.269 1.036 16.913 1.00 0.00 N ATOM 0 H ASN A 72 5.023 -0.658 14.757 1.00 0.00 H new ATOM 0 HA ASN A 72 2.675 -2.023 15.341 1.00 0.00 H new ATOM 0 HB2 ASN A 72 3.495 0.411 15.884 1.00 0.00 H new ATOM 0 HB3 ASN A 72 2.726 0.845 14.370 1.00 0.00 H new ATOM 0 HD21 ASN A 72 0.391 1.124 17.424 1.00 0.00 H new ATOM 0 HD22 ASN A 72 2.077 1.594 17.187 1.00 0.00 H new ATOM 1087 N ALA A 73 2.887 -1.088 12.193 1.00 0.00 N ATOM 1088 CA ALA A 73 2.240 -1.218 10.889 1.00 0.00 C ATOM 1089 C ALA A 73 2.062 -2.681 10.512 1.00 0.00 C ATOM 1090 O ALA A 73 1.055 -3.070 9.913 1.00 0.00 O ATOM 1091 CB ALA A 73 3.039 -0.492 9.820 1.00 0.00 C ATOM 0 H ALA A 73 3.823 -0.683 12.165 1.00 0.00 H new ATOM 0 HA ALA A 73 1.253 -0.760 10.958 1.00 0.00 H new ATOM 0 HB1 ALA A 73 2.541 -0.601 8.857 1.00 0.00 H new ATOM 0 HB2 ALA A 73 3.110 0.566 10.074 1.00 0.00 H new ATOM 0 HB3 ALA A 73 4.040 -0.919 9.761 1.00 0.00 H new ATOM 1097 N LYS A 74 3.028 -3.502 10.887 1.00 0.00 N ATOM 1098 CA LYS A 74 2.956 -4.918 10.572 1.00 0.00 C ATOM 1099 C LYS A 74 2.037 -5.632 11.554 1.00 0.00 C ATOM 1100 O LYS A 74 1.253 -6.494 11.156 1.00 0.00 O ATOM 1101 CB LYS A 74 4.340 -5.559 10.567 1.00 0.00 C ATOM 1102 CG LYS A 74 5.335 -4.852 9.658 1.00 0.00 C ATOM 1103 CD LYS A 74 4.719 -4.436 8.324 1.00 0.00 C ATOM 1104 CE LYS A 74 4.293 -5.633 7.488 1.00 0.00 C ATOM 1105 NZ LYS A 74 3.659 -5.215 6.205 1.00 0.00 N ATOM 0 H LYS A 74 3.861 -3.218 11.403 1.00 0.00 H new ATOM 0 HA LYS A 74 2.543 -5.018 9.568 1.00 0.00 H new ATOM 0 HB2 LYS A 74 4.732 -5.567 11.584 1.00 0.00 H new ATOM 0 HB3 LYS A 74 4.249 -6.599 10.253 1.00 0.00 H new ATOM 0 HG2 LYS A 74 5.722 -3.969 10.166 1.00 0.00 H new ATOM 0 HG3 LYS A 74 6.184 -5.511 9.473 1.00 0.00 H new ATOM 0 HD2 LYS A 74 3.855 -3.798 8.508 1.00 0.00 H new ATOM 0 HD3 LYS A 74 5.440 -3.842 7.763 1.00 0.00 H new ATOM 0 HE2 LYS A 74 5.162 -6.257 7.278 1.00 0.00 H new ATOM 0 HE3 LYS A 74 3.592 -6.243 8.058 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 3.276 -6.051 5.718 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 2.888 -4.545 6.401 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 4.370 -4.757 5.599 1.00 0.00 H new ATOM 1119 N ASP A 75 2.116 -5.257 12.827 1.00 0.00 N ATOM 1120 CA ASP A 75 1.228 -5.813 13.847 1.00 0.00 C ATOM 1121 C ASP A 75 -0.219 -5.415 13.563 1.00 0.00 C ATOM 1122 O ASP A 75 -1.137 -6.222 13.716 1.00 0.00 O ATOM 1123 CB ASP A 75 1.645 -5.349 15.245 1.00 0.00 C ATOM 1124 CG ASP A 75 0.793 -5.966 16.340 1.00 0.00 C ATOM 1125 OD1 ASP A 75 0.765 -7.212 16.448 1.00 0.00 O ATOM 1126 OD2 ASP A 75 0.172 -5.213 17.121 1.00 0.00 O ATOM 0 H ASP A 75 2.784 -4.571 13.178 1.00 0.00 H new ATOM 0 HA ASP A 75 1.306 -6.900 13.813 1.00 0.00 H new ATOM 0 HB2 ASP A 75 2.690 -5.607 15.413 1.00 0.00 H new ATOM 0 HB3 ASP A 75 1.572 -4.263 15.301 1.00 0.00 H new ATOM 1131 N PHE A 76 -0.404 -4.170 13.130 1.00 0.00 N ATOM 1132 CA PHE A 76 -1.712 -3.673 12.719 1.00 0.00 C ATOM 1133 C PHE A 76 -2.277 -4.525 11.597 1.00 0.00 C ATOM 1134 O PHE A 76 -3.463 -4.850 11.594 1.00 0.00 O ATOM 1135 CB PHE A 76 -1.610 -2.215 12.266 1.00 0.00 C ATOM 1136 CG PHE A 76 -2.832 -1.702 11.555 1.00 0.00 C ATOM 1137 CD1 PHE A 76 -4.029 -1.539 12.230 1.00 0.00 C ATOM 1138 CD2 PHE A 76 -2.775 -1.375 10.211 1.00 0.00 C ATOM 1139 CE1 PHE A 76 -5.148 -1.061 11.576 1.00 0.00 C ATOM 1140 CE2 PHE A 76 -3.891 -0.900 9.551 1.00 0.00 C ATOM 1141 CZ PHE A 76 -5.079 -0.742 10.235 1.00 0.00 C ATOM 0 H PHE A 76 0.345 -3.482 13.055 1.00 0.00 H new ATOM 0 HA PHE A 76 -2.384 -3.731 13.575 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -1.421 -1.588 13.137 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -0.749 -2.111 11.606 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -4.089 -1.788 13.279 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -1.846 -1.493 9.672 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -6.076 -0.937 12.114 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -3.834 -0.653 8.501 1.00 0.00 H new ATOM 0 HZ PHE A 76 -5.953 -0.369 9.722 1.00 0.00 H new ATOM 1151 N ALA A 77 -1.422 -4.907 10.663 1.00 0.00 N ATOM 1152 CA ALA A 77 -1.858 -5.719 9.543 1.00 0.00 C ATOM 1153 C ALA A 77 -2.220 -7.124 10.005 1.00 0.00 C ATOM 1154 O ALA A 77 -3.193 -7.703 9.534 1.00 0.00 O ATOM 1155 CB ALA A 77 -0.774 -5.784 8.479 1.00 0.00 C ATOM 0 H ALA A 77 -0.430 -4.670 10.659 1.00 0.00 H new ATOM 0 HA ALA A 77 -2.746 -5.255 9.113 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -1.118 -6.397 7.646 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -0.554 -4.778 8.122 1.00 0.00 H new ATOM 0 HB3 ALA A 77 0.128 -6.224 8.905 1.00 0.00 H new ATOM 1161 N MET A 78 -1.443 -7.661 10.936 1.00 0.00 N ATOM 1162 CA MET A 78 -1.694 -9.005 11.453 1.00 0.00 C ATOM 1163 C MET A 78 -2.955 -9.041 12.300 1.00 0.00 C ATOM 1164 O MET A 78 -3.726 -9.998 12.248 1.00 0.00 O ATOM 1165 CB MET A 78 -0.529 -9.500 12.313 1.00 0.00 C ATOM 1166 CG MET A 78 0.817 -9.494 11.620 1.00 0.00 C ATOM 1167 SD MET A 78 2.121 -10.175 12.661 1.00 0.00 S ATOM 1168 CE MET A 78 3.565 -9.851 11.653 1.00 0.00 C ATOM 0 H MET A 78 -0.637 -7.192 11.349 1.00 0.00 H new ATOM 0 HA MET A 78 -1.811 -9.654 10.585 1.00 0.00 H new ATOM 0 HB2 MET A 78 -0.465 -8.879 13.206 1.00 0.00 H new ATOM 0 HB3 MET A 78 -0.746 -10.515 12.646 1.00 0.00 H new ATOM 0 HG2 MET A 78 0.752 -10.071 10.698 1.00 0.00 H new ATOM 0 HG3 MET A 78 1.075 -8.473 11.339 1.00 0.00 H new ATOM 0 HE1 MET A 78 4.465 -9.983 12.254 1.00 0.00 H new ATOM 0 HE2 MET A 78 3.585 -10.545 10.812 1.00 0.00 H new ATOM 0 HE3 MET A 78 3.525 -8.828 11.279 1.00 0.00 H new ATOM 1178 N LYS A 79 -3.161 -8.004 13.089 1.00 0.00 N ATOM 1179 CA LYS A 79 -4.271 -7.980 14.016 1.00 0.00 C ATOM 1180 C LYS A 79 -5.513 -7.393 13.350 1.00 0.00 C ATOM 1181 O LYS A 79 -6.612 -7.450 13.899 1.00 0.00 O ATOM 1182 CB LYS A 79 -3.858 -7.202 15.274 1.00 0.00 C ATOM 1183 CG LYS A 79 -4.882 -7.207 16.396 1.00 0.00 C ATOM 1184 CD LYS A 79 -4.234 -6.846 17.722 1.00 0.00 C ATOM 1185 CE LYS A 79 -3.450 -5.543 17.637 1.00 0.00 C ATOM 1186 NZ LYS A 79 -2.629 -5.307 18.853 1.00 0.00 N ATOM 0 H LYS A 79 -2.574 -7.170 13.105 1.00 0.00 H new ATOM 0 HA LYS A 79 -4.530 -8.996 14.316 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -2.925 -7.620 15.652 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -3.654 -6.169 14.993 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -5.678 -6.497 16.170 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -5.344 -8.192 16.468 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -5.003 -6.757 18.489 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -3.567 -7.651 18.031 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -2.802 -5.566 16.761 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -4.142 -4.712 17.500 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -2.957 -4.444 19.331 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -2.723 -6.117 19.498 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -1.631 -5.194 18.582 1.00 0.00 H new ATOM 1200 N HIS A 80 -5.342 -6.839 12.153 1.00 0.00 N ATOM 1201 CA HIS A 80 -6.463 -6.278 11.405 1.00 0.00 C ATOM 1202 C HIS A 80 -6.287 -6.534 9.910 1.00 0.00 C ATOM 1203 O HIS A 80 -5.646 -5.750 9.213 1.00 0.00 O ATOM 1204 CB HIS A 80 -6.598 -4.762 11.644 1.00 0.00 C ATOM 1205 CG HIS A 80 -6.600 -4.354 13.088 1.00 0.00 C ATOM 1206 ND1 HIS A 80 -7.751 -4.219 13.832 1.00 0.00 N ATOM 1207 CD2 HIS A 80 -5.578 -4.054 13.924 1.00 0.00 C ATOM 1208 CE1 HIS A 80 -7.438 -3.854 15.061 1.00 0.00 C ATOM 1209 NE2 HIS A 80 -6.127 -3.749 15.142 1.00 0.00 N ATOM 0 H HIS A 80 -4.441 -6.767 11.681 1.00 0.00 H new ATOM 0 HA HIS A 80 -7.369 -6.770 11.760 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -5.778 -4.253 11.138 1.00 0.00 H new ATOM 0 HB3 HIS A 80 -7.522 -4.416 11.181 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -4.527 -4.055 13.677 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -8.137 -3.672 15.864 1.00 0.00 H new ATOM 0 HE2 HIS A 80 -5.605 -3.483 15.977 1.00 0.00 H new ATOM 1218 N GLY A 81 -6.825 -7.648 9.427 1.00 0.00 N ATOM 1219 CA GLY A 81 -6.801 -7.922 8.004 1.00 0.00 C ATOM 1220 C GLY A 81 -6.031 -9.180 7.668 1.00 0.00 C ATOM 1221 O GLY A 81 -6.622 -10.228 7.427 1.00 0.00 O ATOM 0 H GLY A 81 -7.277 -8.365 9.995 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -7.823 -8.018 7.639 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -6.354 -7.076 7.482 1.00 0.00 H new ATOM 1225 N ALA A 82 -4.711 -9.091 7.704 1.00 0.00 N ATOM 1226 CA ALA A 82 -3.858 -10.208 7.327 1.00 0.00 C ATOM 1227 C ALA A 82 -3.649 -11.143 8.502 1.00 0.00 C ATOM 1228 O ALA A 82 -3.434 -10.698 9.625 1.00 0.00 O ATOM 1229 CB ALA A 82 -2.516 -9.704 6.817 1.00 0.00 C ATOM 0 H ALA A 82 -4.205 -8.253 7.992 1.00 0.00 H new ATOM 0 HA ALA A 82 -4.354 -10.759 6.528 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -1.890 -10.552 6.539 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -2.673 -9.069 5.945 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -2.022 -9.129 7.600 1.00 0.00 H new ATOM 1235 N ASP A 83 -3.720 -12.436 8.251 1.00 0.00 N ATOM 1236 CA ASP A 83 -3.486 -13.415 9.300 1.00 0.00 C ATOM 1237 C ASP A 83 -2.014 -13.574 9.525 1.00 0.00 C ATOM 1238 O ASP A 83 -1.199 -13.340 8.630 1.00 0.00 O ATOM 1239 CB ASP A 83 -4.118 -14.755 8.974 1.00 0.00 C ATOM 1240 CG ASP A 83 -3.498 -15.420 7.763 1.00 0.00 C ATOM 1241 OD1 ASP A 83 -3.966 -15.152 6.636 1.00 0.00 O ATOM 1242 OD2 ASP A 83 -2.544 -16.209 7.933 1.00 0.00 O ATOM 0 H ASP A 83 -3.936 -12.833 7.337 1.00 0.00 H new ATOM 0 HA ASP A 83 -3.956 -13.048 10.212 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -4.020 -15.416 9.835 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -5.185 -14.615 8.799 1.00 0.00 H new ATOM 1247 N GLU A 84 -1.688 -13.995 10.719 1.00 0.00 N ATOM 1248 CA GLU A 84 -0.357 -13.951 11.199 1.00 0.00 C ATOM 1249 C GLU A 84 0.547 -14.837 10.371 1.00 0.00 C ATOM 1250 O GLU A 84 1.637 -14.452 10.000 1.00 0.00 O ATOM 1251 CB GLU A 84 -0.356 -14.351 12.673 1.00 0.00 C ATOM 1252 CG GLU A 84 -0.713 -15.807 12.972 1.00 0.00 C ATOM 1253 CD GLU A 84 -2.003 -16.276 12.328 1.00 0.00 C ATOM 1254 OE1 GLU A 84 -3.061 -15.662 12.584 1.00 0.00 O ATOM 1255 OE2 GLU A 84 -1.953 -17.241 11.543 1.00 0.00 O ATOM 0 H GLU A 84 -2.358 -14.381 11.384 1.00 0.00 H new ATOM 0 HA GLU A 84 0.037 -12.939 11.108 1.00 0.00 H new ATOM 0 HB2 GLU A 84 0.633 -14.149 13.083 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -1.059 -13.709 13.204 1.00 0.00 H new ATOM 0 HG2 GLU A 84 0.102 -16.446 12.633 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -0.791 -15.936 14.052 1.00 0.00 H new ATOM 1262 N THR A 85 0.053 -16.009 10.080 1.00 0.00 N ATOM 1263 CA THR A 85 0.694 -16.952 9.211 1.00 0.00 C ATOM 1264 C THR A 85 1.085 -16.317 7.865 1.00 0.00 C ATOM 1265 O THR A 85 2.227 -16.460 7.410 1.00 0.00 O ATOM 1266 CB THR A 85 -0.277 -18.119 9.025 1.00 0.00 C ATOM 1267 OG1 THR A 85 -0.232 -18.965 10.182 1.00 0.00 O ATOM 1268 CG2 THR A 85 0.009 -18.909 7.764 1.00 0.00 C ATOM 0 H THR A 85 -0.835 -16.343 10.454 1.00 0.00 H new ATOM 0 HA THR A 85 1.629 -17.299 9.652 1.00 0.00 H new ATOM 0 HB THR A 85 -1.281 -17.710 8.912 1.00 0.00 H new ATOM 0 HG1 THR A 85 -0.815 -18.598 10.879 1.00 0.00 H new ATOM 0 HG21 THR A 85 -0.707 -19.726 7.677 1.00 0.00 H new ATOM 0 HG22 THR A 85 -0.080 -18.255 6.897 1.00 0.00 H new ATOM 0 HG23 THR A 85 1.020 -19.315 7.810 1.00 0.00 H new ATOM 1276 N MET A 86 0.173 -15.559 7.261 1.00 0.00 N ATOM 1277 CA MET A 86 0.443 -14.960 5.964 1.00 0.00 C ATOM 1278 C MET A 86 1.369 -13.761 6.142 1.00 0.00 C ATOM 1279 O MET A 86 2.304 -13.547 5.361 1.00 0.00 O ATOM 1280 CB MET A 86 -0.869 -14.572 5.253 1.00 0.00 C ATOM 1281 CG MET A 86 -1.227 -13.097 5.320 1.00 0.00 C ATOM 1282 SD MET A 86 -2.568 -12.654 4.194 1.00 0.00 S ATOM 1283 CE MET A 86 -1.889 -13.210 2.632 1.00 0.00 C ATOM 0 H MET A 86 -0.748 -15.349 7.646 1.00 0.00 H new ATOM 0 HA MET A 86 0.943 -15.689 5.326 1.00 0.00 H new ATOM 0 HB2 MET A 86 -0.797 -14.865 4.206 1.00 0.00 H new ATOM 0 HB3 MET A 86 -1.685 -15.148 5.690 1.00 0.00 H new ATOM 0 HG2 MET A 86 -1.516 -12.843 6.340 1.00 0.00 H new ATOM 0 HG3 MET A 86 -0.346 -12.502 5.081 1.00 0.00 H new ATOM 0 HE1 MET A 86 -2.392 -12.696 1.813 1.00 0.00 H new ATOM 0 HE2 MET A 86 -0.822 -12.988 2.599 1.00 0.00 H new ATOM 0 HE3 MET A 86 -2.039 -14.285 2.532 1.00 0.00 H new ATOM 1293 N ALA A 87 1.128 -13.010 7.204 1.00 0.00 N ATOM 1294 CA ALA A 87 1.976 -11.895 7.566 1.00 0.00 C ATOM 1295 C ALA A 87 3.392 -12.386 7.848 1.00 0.00 C ATOM 1296 O ALA A 87 4.365 -11.730 7.505 1.00 0.00 O ATOM 1297 CB ALA A 87 1.403 -11.206 8.785 1.00 0.00 C ATOM 0 H ALA A 87 0.341 -13.158 7.835 1.00 0.00 H new ATOM 0 HA ALA A 87 2.016 -11.184 6.740 1.00 0.00 H new ATOM 0 HB1 ALA A 87 2.040 -10.365 9.061 1.00 0.00 H new ATOM 0 HB2 ALA A 87 0.400 -10.843 8.560 1.00 0.00 H new ATOM 0 HB3 ALA A 87 1.356 -11.912 9.614 1.00 0.00 H new ATOM 1303 N GLN A 88 3.472 -13.569 8.446 1.00 0.00 N ATOM 1304 CA GLN A 88 4.735 -14.203 8.815 1.00 0.00 C ATOM 1305 C GLN A 88 5.488 -14.677 7.580 1.00 0.00 C ATOM 1306 O GLN A 88 6.712 -14.790 7.589 1.00 0.00 O ATOM 1307 CB GLN A 88 4.472 -15.379 9.762 1.00 0.00 C ATOM 1308 CG GLN A 88 4.771 -15.099 11.236 1.00 0.00 C ATOM 1309 CD GLN A 88 4.281 -13.745 11.726 1.00 0.00 C ATOM 1310 OE1 GLN A 88 5.016 -12.761 11.673 1.00 0.00 O ATOM 1311 NE2 GLN A 88 3.049 -13.674 12.221 1.00 0.00 N ATOM 0 H GLN A 88 2.652 -14.123 8.692 1.00 0.00 H new ATOM 0 HA GLN A 88 5.355 -13.466 9.325 1.00 0.00 H new ATOM 0 HB2 GLN A 88 3.427 -15.675 9.668 1.00 0.00 H new ATOM 0 HB3 GLN A 88 5.074 -16.228 9.439 1.00 0.00 H new ATOM 0 HG2 GLN A 88 4.313 -15.880 11.843 1.00 0.00 H new ATOM 0 HG3 GLN A 88 5.847 -15.162 11.395 1.00 0.00 H new ATOM 0 HE21 GLN A 88 2.463 -14.508 12.252 1.00 0.00 H new ATOM 0 HE22 GLN A 88 2.690 -12.785 12.570 1.00 0.00 H new ATOM 1320 N GLN A 89 4.751 -14.936 6.513 1.00 0.00 N ATOM 1321 CA GLN A 89 5.367 -15.295 5.241 1.00 0.00 C ATOM 1322 C GLN A 89 5.897 -14.037 4.559 1.00 0.00 C ATOM 1323 O GLN A 89 6.831 -14.095 3.762 1.00 0.00 O ATOM 1324 CB GLN A 89 4.384 -16.036 4.309 1.00 0.00 C ATOM 1325 CG GLN A 89 3.798 -17.306 4.903 1.00 0.00 C ATOM 1326 CD GLN A 89 4.855 -18.310 5.310 1.00 0.00 C ATOM 1327 OE1 GLN A 89 5.280 -19.142 4.510 1.00 0.00 O ATOM 1328 NE2 GLN A 89 5.273 -18.251 6.563 1.00 0.00 N ATOM 0 H GLN A 89 3.732 -14.906 6.499 1.00 0.00 H new ATOM 0 HA GLN A 89 6.191 -15.979 5.447 1.00 0.00 H new ATOM 0 HB2 GLN A 89 3.569 -15.361 4.049 1.00 0.00 H new ATOM 0 HB3 GLN A 89 4.899 -16.286 3.382 1.00 0.00 H new ATOM 0 HG2 GLN A 89 3.195 -17.049 5.774 1.00 0.00 H new ATOM 0 HG3 GLN A 89 3.129 -17.766 4.176 1.00 0.00 H new ATOM 0 HE21 GLN A 89 4.894 -17.545 7.194 1.00 0.00 H new ATOM 0 HE22 GLN A 89 5.974 -18.912 6.898 1.00 0.00 H new ATOM 1337 N LEU A 90 5.311 -12.896 4.905 1.00 0.00 N ATOM 1338 CA LEU A 90 5.727 -11.619 4.345 1.00 0.00 C ATOM 1339 C LEU A 90 6.868 -11.018 5.162 1.00 0.00 C ATOM 1340 O LEU A 90 7.867 -10.562 4.606 1.00 0.00 O ATOM 1341 CB LEU A 90 4.532 -10.652 4.308 1.00 0.00 C ATOM 1342 CG LEU A 90 4.842 -9.214 3.876 1.00 0.00 C ATOM 1343 CD1 LEU A 90 5.086 -9.126 2.378 1.00 0.00 C ATOM 1344 CD2 LEU A 90 3.704 -8.291 4.283 1.00 0.00 C ATOM 0 H LEU A 90 4.543 -12.831 5.574 1.00 0.00 H new ATOM 0 HA LEU A 90 6.085 -11.783 3.329 1.00 0.00 H new ATOM 0 HB2 LEU A 90 3.782 -11.060 3.631 1.00 0.00 H new ATOM 0 HB3 LEU A 90 4.083 -10.623 5.301 1.00 0.00 H new ATOM 0 HG LEU A 90 5.755 -8.898 4.380 1.00 0.00 H new ATOM 0 HD11 LEU A 90 5.303 -8.093 2.105 1.00 0.00 H new ATOM 0 HD12 LEU A 90 5.933 -9.758 2.110 1.00 0.00 H new ATOM 0 HD13 LEU A 90 4.198 -9.464 1.844 1.00 0.00 H new ATOM 0 HD21 LEU A 90 3.933 -7.272 3.972 1.00 0.00 H new ATOM 0 HD22 LEU A 90 2.781 -8.618 3.804 1.00 0.00 H new ATOM 0 HD23 LEU A 90 3.581 -8.321 5.366 1.00 0.00 H new ATOM 1356 N VAL A 91 6.718 -11.033 6.484 1.00 0.00 N ATOM 1357 CA VAL A 91 7.694 -10.417 7.380 1.00 0.00 C ATOM 1358 C VAL A 91 9.071 -11.045 7.253 1.00 0.00 C ATOM 1359 O VAL A 91 10.077 -10.376 7.482 1.00 0.00 O ATOM 1360 CB VAL A 91 7.266 -10.473 8.859 1.00 0.00 C ATOM 1361 CG1 VAL A 91 6.170 -9.458 9.142 1.00 0.00 C ATOM 1362 CG2 VAL A 91 6.802 -11.861 9.259 1.00 0.00 C ATOM 0 H VAL A 91 5.927 -11.467 6.960 1.00 0.00 H new ATOM 0 HA VAL A 91 7.741 -9.374 7.065 1.00 0.00 H new ATOM 0 HB VAL A 91 8.143 -10.226 9.457 1.00 0.00 H new ATOM 0 HG11 VAL A 91 5.883 -9.515 10.192 1.00 0.00 H new ATOM 0 HG12 VAL A 91 6.536 -8.456 8.920 1.00 0.00 H new ATOM 0 HG13 VAL A 91 5.304 -9.674 8.517 1.00 0.00 H new ATOM 0 HG21 VAL A 91 6.509 -11.858 10.309 1.00 0.00 H new ATOM 0 HG22 VAL A 91 5.949 -12.151 8.645 1.00 0.00 H new ATOM 0 HG23 VAL A 91 7.614 -12.573 9.111 1.00 0.00 H new ATOM 1372 N ASP A 92 9.122 -12.314 6.881 1.00 0.00 N ATOM 1373 CA ASP A 92 10.394 -12.999 6.730 1.00 0.00 C ATOM 1374 C ASP A 92 11.193 -12.344 5.608 1.00 0.00 C ATOM 1375 O ASP A 92 12.383 -12.054 5.758 1.00 0.00 O ATOM 1376 CB ASP A 92 10.185 -14.492 6.462 1.00 0.00 C ATOM 1377 CG ASP A 92 11.474 -15.192 6.063 1.00 0.00 C ATOM 1378 OD1 ASP A 92 11.807 -15.205 4.860 1.00 0.00 O ATOM 1379 OD2 ASP A 92 12.164 -15.730 6.953 1.00 0.00 O ATOM 0 H ASP A 92 8.303 -12.887 6.679 1.00 0.00 H new ATOM 0 HA ASP A 92 10.957 -12.914 7.660 1.00 0.00 H new ATOM 0 HB2 ASP A 92 9.778 -14.966 7.355 1.00 0.00 H new ATOM 0 HB3 ASP A 92 9.446 -14.617 5.670 1.00 0.00 H new ATOM 1384 N ILE A 93 10.508 -12.060 4.507 1.00 0.00 N ATOM 1385 CA ILE A 93 11.110 -11.372 3.379 1.00 0.00 C ATOM 1386 C ILE A 93 11.449 -9.936 3.761 1.00 0.00 C ATOM 1387 O ILE A 93 12.515 -9.420 3.411 1.00 0.00 O ATOM 1388 CB ILE A 93 10.168 -11.370 2.151 1.00 0.00 C ATOM 1389 CG1 ILE A 93 10.285 -12.678 1.358 1.00 0.00 C ATOM 1390 CG2 ILE A 93 10.462 -10.186 1.249 1.00 0.00 C ATOM 1391 CD1 ILE A 93 9.819 -13.908 2.107 1.00 0.00 C ATOM 0 H ILE A 93 9.526 -12.300 4.374 1.00 0.00 H new ATOM 0 HA ILE A 93 12.022 -11.907 3.113 1.00 0.00 H new ATOM 0 HB ILE A 93 9.146 -11.284 2.521 1.00 0.00 H new ATOM 0 HG12 ILE A 93 9.705 -12.585 0.440 1.00 0.00 H new ATOM 0 HG13 ILE A 93 11.325 -12.819 1.065 1.00 0.00 H new ATOM 0 HG21 ILE A 93 9.788 -10.205 0.393 1.00 0.00 H new ATOM 0 HG22 ILE A 93 10.316 -9.260 1.805 1.00 0.00 H new ATOM 0 HG23 ILE A 93 11.493 -10.241 0.900 1.00 0.00 H new ATOM 0 HD11 ILE A 93 9.937 -14.787 1.473 1.00 0.00 H new ATOM 0 HD12 ILE A 93 10.415 -14.031 3.011 1.00 0.00 H new ATOM 0 HD13 ILE A 93 8.769 -13.794 2.377 1.00 0.00 H new ATOM 1403 N ILE A 94 10.536 -9.299 4.491 1.00 0.00 N ATOM 1404 CA ILE A 94 10.729 -7.919 4.921 1.00 0.00 C ATOM 1405 C ILE A 94 12.009 -7.794 5.726 1.00 0.00 C ATOM 1406 O ILE A 94 12.822 -6.911 5.484 1.00 0.00 O ATOM 1407 CB ILE A 94 9.555 -7.409 5.782 1.00 0.00 C ATOM 1408 CG1 ILE A 94 8.249 -7.499 4.997 1.00 0.00 C ATOM 1409 CG2 ILE A 94 9.807 -5.975 6.238 1.00 0.00 C ATOM 1410 CD1 ILE A 94 7.056 -6.976 5.758 1.00 0.00 C ATOM 0 H ILE A 94 9.657 -9.717 4.796 1.00 0.00 H new ATOM 0 HA ILE A 94 10.786 -7.312 4.017 1.00 0.00 H new ATOM 0 HB ILE A 94 9.474 -8.039 6.668 1.00 0.00 H new ATOM 0 HG12 ILE A 94 8.353 -6.938 4.068 1.00 0.00 H new ATOM 0 HG13 ILE A 94 8.069 -8.539 4.723 1.00 0.00 H new ATOM 0 HG21 ILE A 94 8.968 -5.633 6.844 1.00 0.00 H new ATOM 0 HG22 ILE A 94 10.721 -5.937 6.830 1.00 0.00 H new ATOM 0 HG23 ILE A 94 9.912 -5.329 5.366 1.00 0.00 H new ATOM 0 HD11 ILE A 94 6.162 -7.070 5.142 1.00 0.00 H new ATOM 0 HD12 ILE A 94 6.928 -7.552 6.674 1.00 0.00 H new ATOM 0 HD13 ILE A 94 7.216 -5.927 6.009 1.00 0.00 H new ATOM 1422 N HIS A 95 12.196 -8.703 6.666 1.00 0.00 N ATOM 1423 CA HIS A 95 13.356 -8.638 7.547 1.00 0.00 C ATOM 1424 C HIS A 95 14.624 -8.963 6.778 1.00 0.00 C ATOM 1425 O HIS A 95 15.666 -8.370 7.022 1.00 0.00 O ATOM 1426 CB HIS A 95 13.225 -9.592 8.738 1.00 0.00 C ATOM 1427 CG HIS A 95 12.021 -9.349 9.593 1.00 0.00 C ATOM 1428 ND1 HIS A 95 11.539 -10.279 10.480 1.00 0.00 N ATOM 1429 CD2 HIS A 95 11.210 -8.271 9.704 1.00 0.00 C ATOM 1430 CE1 HIS A 95 10.488 -9.787 11.106 1.00 0.00 C ATOM 1431 NE2 HIS A 95 10.264 -8.565 10.656 1.00 0.00 N ATOM 0 H HIS A 95 11.569 -9.488 6.841 1.00 0.00 H new ATOM 0 HA HIS A 95 13.409 -7.620 7.932 1.00 0.00 H new ATOM 0 HB2 HIS A 95 13.191 -10.616 8.366 1.00 0.00 H new ATOM 0 HB3 HIS A 95 14.118 -9.507 9.357 1.00 0.00 H new ATOM 0 HD2 HIS A 95 11.292 -7.349 9.147 1.00 0.00 H new ATOM 0 HE1 HIS A 95 9.907 -10.297 11.860 1.00 0.00 H new ATOM 0 HE2 HIS A 95 9.515 -7.945 10.964 1.00 0.00 H new ATOM 1440 N GLY A 96 14.515 -9.855 5.803 1.00 0.00 N ATOM 1441 CA GLY A 96 15.694 -10.324 5.114 1.00 0.00 C ATOM 1442 C GLY A 96 16.139 -9.373 4.030 1.00 0.00 C ATOM 1443 O GLY A 96 17.284 -8.918 4.031 1.00 0.00 O ATOM 0 H GLY A 96 13.636 -10.259 5.480 1.00 0.00 H new ATOM 0 HA2 GLY A 96 16.503 -10.457 5.832 1.00 0.00 H new ATOM 0 HA3 GLY A 96 15.492 -11.302 4.676 1.00 0.00 H new ATOM 1447 N CYS A 97 15.243 -9.049 3.115 1.00 0.00 N ATOM 1448 CA CYS A 97 15.593 -8.177 2.017 1.00 0.00 C ATOM 1449 C CYS A 97 15.757 -6.720 2.454 1.00 0.00 C ATOM 1450 O CYS A 97 16.556 -6.009 1.864 1.00 0.00 O ATOM 1451 CB CYS A 97 14.618 -8.327 0.841 1.00 0.00 C ATOM 1452 SG CYS A 97 15.030 -9.744 -0.243 1.00 0.00 S ATOM 0 H CYS A 97 14.277 -9.375 3.113 1.00 0.00 H new ATOM 0 HA CYS A 97 16.573 -8.497 1.662 1.00 0.00 H new ATOM 0 HB2 CYS A 97 13.606 -8.452 1.227 1.00 0.00 H new ATOM 0 HB3 CYS A 97 14.623 -7.410 0.251 1.00 0.00 H new ATOM 1457 N GLU A 98 15.021 -6.250 3.471 1.00 0.00 N ATOM 1458 CA GLU A 98 15.310 -4.917 4.022 1.00 0.00 C ATOM 1459 C GLU A 98 16.666 -4.907 4.741 1.00 0.00 C ATOM 1460 O GLU A 98 17.402 -3.922 4.675 1.00 0.00 O ATOM 1461 CB GLU A 98 14.201 -4.421 4.961 1.00 0.00 C ATOM 1462 CG GLU A 98 14.440 -3.008 5.489 1.00 0.00 C ATOM 1463 CD GLU A 98 13.268 -2.445 6.273 1.00 0.00 C ATOM 1464 OE1 GLU A 98 13.007 -2.925 7.397 1.00 0.00 O ATOM 1465 OE2 GLU A 98 12.609 -1.502 5.776 1.00 0.00 O ATOM 0 H GLU A 98 14.250 -6.749 3.915 1.00 0.00 H new ATOM 0 HA GLU A 98 15.352 -4.228 3.179 1.00 0.00 H new ATOM 0 HB2 GLU A 98 13.249 -4.447 4.432 1.00 0.00 H new ATOM 0 HB3 GLU A 98 14.116 -5.106 5.804 1.00 0.00 H new ATOM 0 HG2 GLU A 98 15.324 -3.012 6.126 1.00 0.00 H new ATOM 0 HG3 GLU A 98 14.656 -2.347 4.649 1.00 0.00 H new ATOM 1472 N LYS A 99 17.002 -6.008 5.414 1.00 0.00 N ATOM 1473 CA LYS A 99 18.292 -6.120 6.088 1.00 0.00 C ATOM 1474 C LYS A 99 19.437 -6.088 5.079 1.00 0.00 C ATOM 1475 O LYS A 99 20.446 -5.422 5.291 1.00 0.00 O ATOM 1476 CB LYS A 99 18.346 -7.416 6.895 1.00 0.00 C ATOM 1477 CG LYS A 99 19.696 -7.719 7.517 1.00 0.00 C ATOM 1478 CD LYS A 99 19.689 -9.074 8.210 1.00 0.00 C ATOM 1479 CE LYS A 99 19.353 -10.202 7.242 1.00 0.00 C ATOM 1480 NZ LYS A 99 20.406 -10.389 6.207 1.00 0.00 N ATOM 0 H LYS A 99 16.403 -6.828 5.506 1.00 0.00 H new ATOM 0 HA LYS A 99 18.403 -5.270 6.761 1.00 0.00 H new ATOM 0 HB2 LYS A 99 17.599 -7.366 7.687 1.00 0.00 H new ATOM 0 HB3 LYS A 99 18.066 -8.245 6.245 1.00 0.00 H new ATOM 0 HG2 LYS A 99 20.466 -7.706 6.746 1.00 0.00 H new ATOM 0 HG3 LYS A 99 19.951 -6.941 8.236 1.00 0.00 H new ATOM 0 HD2 LYS A 99 20.665 -9.258 8.658 1.00 0.00 H new ATOM 0 HD3 LYS A 99 18.962 -9.063 9.022 1.00 0.00 H new ATOM 0 HE2 LYS A 99 19.225 -11.130 7.799 1.00 0.00 H new ATOM 0 HE3 LYS A 99 18.401 -9.989 6.755 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 20.355 -11.357 5.831 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 20.257 -9.709 5.434 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 21.342 -10.231 6.632 1.00 0.00 H new ATOM 1494 N SER A 100 19.271 -6.806 3.981 1.00 0.00 N ATOM 1495 CA SER A 100 20.304 -6.890 2.960 1.00 0.00 C ATOM 1496 C SER A 100 19.958 -6.033 1.744 1.00 0.00 C ATOM 1497 O SER A 100 20.426 -6.293 0.633 1.00 0.00 O ATOM 1498 CB SER A 100 20.501 -8.351 2.554 1.00 0.00 C ATOM 1499 OG SER A 100 20.955 -9.121 3.658 1.00 0.00 O ATOM 0 H SER A 100 18.428 -7.341 3.773 1.00 0.00 H new ATOM 0 HA SER A 100 21.235 -6.502 3.375 1.00 0.00 H new ATOM 0 HB2 SER A 100 19.562 -8.760 2.180 1.00 0.00 H new ATOM 0 HB3 SER A 100 21.222 -8.413 1.739 1.00 0.00 H new ATOM 0 HG SER A 100 21.074 -10.053 3.380 1.00 0.00 H new ATOM 1505 N ALA A 101 19.153 -5.001 1.960 1.00 0.00 N ATOM 1506 CA ALA A 101 18.780 -4.082 0.891 1.00 0.00 C ATOM 1507 C ALA A 101 19.990 -3.267 0.448 1.00 0.00 C ATOM 1508 O ALA A 101 20.944 -3.108 1.211 1.00 0.00 O ATOM 1509 CB ALA A 101 17.656 -3.157 1.349 1.00 0.00 C ATOM 0 H ALA A 101 18.745 -4.778 2.868 1.00 0.00 H new ATOM 0 HA ALA A 101 18.423 -4.665 0.042 1.00 0.00 H new ATOM 0 HB1 ALA A 101 17.391 -2.478 0.539 1.00 0.00 H new ATOM 0 HB2 ALA A 101 16.785 -3.752 1.624 1.00 0.00 H new ATOM 0 HB3 ALA A 101 17.989 -2.580 2.212 1.00 0.00 H new ATOM 1515 N PRO A 102 19.981 -2.767 -0.800 1.00 0.00 N ATOM 1516 CA PRO A 102 21.050 -1.904 -1.313 1.00 0.00 C ATOM 1517 C PRO A 102 21.295 -0.704 -0.399 1.00 0.00 C ATOM 1518 O PRO A 102 20.399 -0.282 0.332 1.00 0.00 O ATOM 1519 CB PRO A 102 20.515 -1.441 -2.673 1.00 0.00 C ATOM 1520 CG PRO A 102 19.551 -2.498 -3.080 1.00 0.00 C ATOM 1521 CD PRO A 102 18.933 -3.007 -1.810 1.00 0.00 C ATOM 0 HA PRO A 102 22.006 -2.424 -1.376 1.00 0.00 H new ATOM 0 HB2 PRO A 102 20.028 -0.469 -2.597 1.00 0.00 H new ATOM 0 HB3 PRO A 102 21.320 -1.338 -3.401 1.00 0.00 H new ATOM 0 HG2 PRO A 102 18.791 -2.096 -3.750 1.00 0.00 H new ATOM 0 HG3 PRO A 102 20.056 -3.301 -3.617 1.00 0.00 H new ATOM 0 HD2 PRO A 102 18.013 -2.474 -1.569 1.00 0.00 H new ATOM 0 HD3 PRO A 102 18.679 -4.065 -1.882 1.00 0.00 H new ATOM 1529 N PRO A 103 22.511 -0.133 -0.435 1.00 0.00 N ATOM 1530 CA PRO A 103 22.899 0.992 0.429 1.00 0.00 C ATOM 1531 C PRO A 103 22.197 2.304 0.063 1.00 0.00 C ATOM 1532 O PRO A 103 22.698 3.391 0.352 1.00 0.00 O ATOM 1533 CB PRO A 103 24.415 1.116 0.211 1.00 0.00 C ATOM 1534 CG PRO A 103 24.817 -0.131 -0.502 1.00 0.00 C ATOM 1535 CD PRO A 103 23.621 -0.546 -1.301 1.00 0.00 C ATOM 0 HA PRO A 103 22.616 0.808 1.465 1.00 0.00 H new ATOM 0 HB2 PRO A 103 24.656 2.001 -0.379 1.00 0.00 H new ATOM 0 HB3 PRO A 103 24.942 1.213 1.160 1.00 0.00 H new ATOM 0 HG2 PRO A 103 25.676 0.048 -1.148 1.00 0.00 H new ATOM 0 HG3 PRO A 103 25.105 -0.910 0.204 1.00 0.00 H new ATOM 0 HD2 PRO A 103 23.587 -0.050 -2.271 1.00 0.00 H new ATOM 0 HD3 PRO A 103 23.611 -1.619 -1.492 1.00 0.00 H new ATOM 1543 N ASN A 104 21.039 2.199 -0.566 1.00 0.00 N ATOM 1544 CA ASN A 104 20.214 3.359 -0.846 1.00 0.00 C ATOM 1545 C ASN A 104 19.031 3.363 0.105 1.00 0.00 C ATOM 1546 O ASN A 104 18.013 2.723 -0.159 1.00 0.00 O ATOM 1547 CB ASN A 104 19.709 3.345 -2.295 1.00 0.00 C ATOM 1548 CG ASN A 104 20.826 3.410 -3.318 1.00 0.00 C ATOM 1549 OD1 ASN A 104 21.880 4.003 -3.077 1.00 0.00 O ATOM 1550 ND2 ASN A 104 20.602 2.799 -4.473 1.00 0.00 N ATOM 0 H ASN A 104 20.648 1.316 -0.894 1.00 0.00 H new ATOM 0 HA ASN A 104 20.816 4.257 -0.707 1.00 0.00 H new ATOM 0 HB2 ASN A 104 19.126 2.439 -2.461 1.00 0.00 H new ATOM 0 HB3 ASN A 104 19.037 4.189 -2.447 1.00 0.00 H new ATOM 0 HD21 ASN A 104 21.316 2.809 -5.202 1.00 0.00 H new ATOM 0 HD22 ASN A 104 19.716 2.319 -4.633 1.00 0.00 H new ATOM 1557 N ASP A 105 19.176 4.057 1.222 1.00 0.00 N ATOM 1558 CA ASP A 105 18.107 4.135 2.204 1.00 0.00 C ATOM 1559 C ASP A 105 17.080 5.153 1.749 1.00 0.00 C ATOM 1560 O ASP A 105 17.261 6.357 1.938 1.00 0.00 O ATOM 1561 CB ASP A 105 18.653 4.520 3.583 1.00 0.00 C ATOM 1562 CG ASP A 105 17.615 4.399 4.686 1.00 0.00 C ATOM 1563 OD1 ASP A 105 16.792 5.321 4.852 1.00 0.00 O ATOM 1564 OD2 ASP A 105 17.630 3.381 5.411 1.00 0.00 O ATOM 0 H ASP A 105 20.020 4.573 1.471 1.00 0.00 H new ATOM 0 HA ASP A 105 17.639 3.154 2.289 1.00 0.00 H new ATOM 0 HB2 ASP A 105 19.505 3.883 3.821 1.00 0.00 H new ATOM 0 HB3 ASP A 105 19.021 5.545 3.549 1.00 0.00 H new ATOM 1569 N ASP A 106 16.036 4.680 1.094 1.00 0.00 N ATOM 1570 CA ASP A 106 14.981 5.563 0.639 1.00 0.00 C ATOM 1571 C ASP A 106 13.753 5.401 1.514 1.00 0.00 C ATOM 1572 O ASP A 106 13.180 4.305 1.604 1.00 0.00 O ATOM 1573 CB ASP A 106 14.622 5.305 -0.821 1.00 0.00 C ATOM 1574 CG ASP A 106 13.789 6.428 -1.417 1.00 0.00 C ATOM 1575 OD1 ASP A 106 12.704 6.734 -0.875 1.00 0.00 O ATOM 1576 OD2 ASP A 106 14.218 7.005 -2.440 1.00 0.00 O ATOM 0 H ASP A 106 15.897 3.695 0.867 1.00 0.00 H new ATOM 0 HA ASP A 106 15.348 6.587 0.715 1.00 0.00 H new ATOM 0 HB2 ASP A 106 15.536 5.186 -1.402 1.00 0.00 H new ATOM 0 HB3 ASP A 106 14.072 4.367 -0.897 1.00 0.00 H new ATOM 1581 N LYS A 107 13.375 6.520 2.129 1.00 0.00 N ATOM 1582 CA LYS A 107 12.267 6.625 3.083 1.00 0.00 C ATOM 1583 C LYS A 107 11.144 5.604 2.840 1.00 0.00 C ATOM 1584 O LYS A 107 10.992 4.659 3.610 1.00 0.00 O ATOM 1585 CB LYS A 107 11.730 8.063 3.025 1.00 0.00 C ATOM 1586 CG LYS A 107 10.732 8.436 4.113 1.00 0.00 C ATOM 1587 CD LYS A 107 9.300 8.130 3.709 1.00 0.00 C ATOM 1588 CE LYS A 107 8.305 8.891 4.572 1.00 0.00 C ATOM 1589 NZ LYS A 107 8.443 10.364 4.404 1.00 0.00 N ATOM 0 H LYS A 107 13.847 7.411 1.973 1.00 0.00 H new ATOM 0 HA LYS A 107 12.648 6.390 4.077 1.00 0.00 H new ATOM 0 HB2 LYS A 107 12.575 8.750 3.080 1.00 0.00 H new ATOM 0 HB3 LYS A 107 11.257 8.217 2.055 1.00 0.00 H new ATOM 0 HG2 LYS A 107 10.974 7.893 5.027 1.00 0.00 H new ATOM 0 HG3 LYS A 107 10.825 9.498 4.340 1.00 0.00 H new ATOM 0 HD2 LYS A 107 9.152 8.393 2.662 1.00 0.00 H new ATOM 0 HD3 LYS A 107 9.116 7.059 3.797 1.00 0.00 H new ATOM 0 HE2 LYS A 107 7.291 8.588 4.311 1.00 0.00 H new ATOM 0 HE3 LYS A 107 8.456 8.629 5.619 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 7.541 10.826 4.638 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 9.188 10.717 5.038 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 8.696 10.579 3.418 1.00 0.00 H new ATOM 1603 N CYS A 108 10.343 5.801 1.805 1.00 0.00 N ATOM 1604 CA CYS A 108 9.232 4.896 1.537 1.00 0.00 C ATOM 1605 C CYS A 108 9.581 3.843 0.476 1.00 0.00 C ATOM 1606 O CYS A 108 8.801 2.931 0.236 1.00 0.00 O ATOM 1607 CB CYS A 108 7.988 5.692 1.121 1.00 0.00 C ATOM 1608 SG CYS A 108 6.434 4.735 1.092 1.00 0.00 S ATOM 0 H CYS A 108 10.438 6.570 1.142 1.00 0.00 H new ATOM 0 HA CYS A 108 9.020 4.358 2.461 1.00 0.00 H new ATOM 0 HB2 CYS A 108 7.867 6.532 1.805 1.00 0.00 H new ATOM 0 HB3 CYS A 108 8.158 6.111 0.129 1.00 0.00 H new ATOM 1613 N MET A 109 10.743 3.951 -0.168 1.00 0.00 N ATOM 1614 CA MET A 109 11.012 3.132 -1.333 1.00 0.00 C ATOM 1615 C MET A 109 11.510 1.716 -0.973 1.00 0.00 C ATOM 1616 O MET A 109 11.276 0.740 -1.719 1.00 0.00 O ATOM 1617 CB MET A 109 12.003 3.843 -2.252 1.00 0.00 C ATOM 1618 CG MET A 109 12.684 2.922 -3.240 1.00 0.00 C ATOM 1619 SD MET A 109 13.676 3.807 -4.460 1.00 0.00 S ATOM 1620 CE MET A 109 14.440 2.428 -5.316 1.00 0.00 C ATOM 0 H MET A 109 11.496 4.587 0.096 1.00 0.00 H new ATOM 0 HA MET A 109 10.066 2.996 -1.857 1.00 0.00 H new ATOM 0 HB2 MET A 109 11.479 4.626 -2.800 1.00 0.00 H new ATOM 0 HB3 MET A 109 12.762 4.334 -1.643 1.00 0.00 H new ATOM 0 HG2 MET A 109 13.322 2.224 -2.698 1.00 0.00 H new ATOM 0 HG3 MET A 109 11.929 2.328 -3.755 1.00 0.00 H new ATOM 0 HE1 MET A 109 15.089 2.805 -6.106 1.00 0.00 H new ATOM 0 HE2 MET A 109 15.030 1.843 -4.610 1.00 0.00 H new ATOM 0 HE3 MET A 109 13.666 1.797 -5.753 1.00 0.00 H new ATOM 1630 N LYS A 110 12.167 1.594 0.183 1.00 0.00 N ATOM 1631 CA LYS A 110 12.815 0.325 0.554 1.00 0.00 C ATOM 1632 C LYS A 110 11.811 -0.809 0.557 1.00 0.00 C ATOM 1633 O LYS A 110 12.066 -1.905 0.060 1.00 0.00 O ATOM 1634 CB LYS A 110 13.490 0.381 1.935 1.00 0.00 C ATOM 1635 CG LYS A 110 12.561 0.549 3.125 1.00 0.00 C ATOM 1636 CD LYS A 110 12.516 1.972 3.631 1.00 0.00 C ATOM 1637 CE LYS A 110 11.945 2.023 5.038 1.00 0.00 C ATOM 1638 NZ LYS A 110 12.737 1.190 5.983 1.00 0.00 N ATOM 0 H LYS A 110 12.266 2.341 0.870 1.00 0.00 H new ATOM 0 HA LYS A 110 13.585 0.152 -0.197 1.00 0.00 H new ATOM 0 HB2 LYS A 110 14.064 -0.535 2.074 1.00 0.00 H new ATOM 0 HB3 LYS A 110 14.202 1.206 1.936 1.00 0.00 H new ATOM 0 HG2 LYS A 110 11.556 0.236 2.843 1.00 0.00 H new ATOM 0 HG3 LYS A 110 12.886 -0.109 3.931 1.00 0.00 H new ATOM 0 HD2 LYS A 110 13.519 2.398 3.625 1.00 0.00 H new ATOM 0 HD3 LYS A 110 11.907 2.582 2.964 1.00 0.00 H new ATOM 0 HE2 LYS A 110 11.930 3.055 5.388 1.00 0.00 H new ATOM 0 HE3 LYS A 110 10.912 1.676 5.024 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 12.684 1.601 6.937 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 12.352 0.224 6.000 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 13.729 1.162 5.673 1.00 0.00 H new ATOM 1652 N THR A 111 10.677 -0.521 1.148 1.00 0.00 N ATOM 1653 CA THR A 111 9.589 -1.455 1.266 1.00 0.00 C ATOM 1654 C THR A 111 9.077 -1.959 -0.091 1.00 0.00 C ATOM 1655 O THR A 111 8.329 -2.925 -0.137 1.00 0.00 O ATOM 1656 CB THR A 111 8.474 -0.824 2.117 1.00 0.00 C ATOM 1657 OG1 THR A 111 7.468 -1.793 2.438 1.00 0.00 O ATOM 1658 CG2 THR A 111 7.834 0.389 1.438 1.00 0.00 C ATOM 0 H THR A 111 10.483 0.388 1.568 1.00 0.00 H new ATOM 0 HA THR A 111 9.958 -2.348 1.770 1.00 0.00 H new ATOM 0 HB THR A 111 8.944 -0.475 3.036 1.00 0.00 H new ATOM 0 HG1 THR A 111 7.407 -2.453 1.716 1.00 0.00 H new ATOM 0 HG21 THR A 111 7.054 0.796 2.081 1.00 0.00 H new ATOM 0 HG22 THR A 111 8.594 1.151 1.263 1.00 0.00 H new ATOM 0 HG23 THR A 111 7.398 0.085 0.486 1.00 0.00 H new ATOM 1666 N ILE A 112 9.510 -1.350 -1.200 1.00 0.00 N ATOM 1667 CA ILE A 112 9.141 -1.856 -2.508 1.00 0.00 C ATOM 1668 C ILE A 112 10.199 -2.834 -2.969 1.00 0.00 C ATOM 1669 O ILE A 112 9.880 -3.878 -3.543 1.00 0.00 O ATOM 1670 CB ILE A 112 8.936 -0.737 -3.544 1.00 0.00 C ATOM 1671 CG1 ILE A 112 7.448 -0.456 -3.721 1.00 0.00 C ATOM 1672 CG2 ILE A 112 9.583 -1.055 -4.886 1.00 0.00 C ATOM 1673 CD1 ILE A 112 6.820 0.196 -2.512 1.00 0.00 C ATOM 0 H ILE A 112 10.105 -0.522 -1.211 1.00 0.00 H new ATOM 0 HA ILE A 112 8.179 -2.360 -2.419 1.00 0.00 H new ATOM 0 HB ILE A 112 9.432 0.155 -3.160 1.00 0.00 H new ATOM 0 HG12 ILE A 112 7.307 0.189 -4.588 1.00 0.00 H new ATOM 0 HG13 ILE A 112 6.930 -1.392 -3.932 1.00 0.00 H new ATOM 0 HG21 ILE A 112 9.407 -0.232 -5.579 1.00 0.00 H new ATOM 0 HG22 ILE A 112 10.656 -1.192 -4.749 1.00 0.00 H new ATOM 0 HG23 ILE A 112 9.150 -1.969 -5.291 1.00 0.00 H new ATOM 0 HD11 ILE A 112 5.761 0.370 -2.701 1.00 0.00 H new ATOM 0 HD12 ILE A 112 6.932 -0.458 -1.647 1.00 0.00 H new ATOM 0 HD13 ILE A 112 7.314 1.147 -2.314 1.00 0.00 H new ATOM 1685 N ASP A 113 11.462 -2.500 -2.690 1.00 0.00 N ATOM 1686 CA ASP A 113 12.563 -3.419 -2.984 1.00 0.00 C ATOM 1687 C ASP A 113 12.353 -4.745 -2.255 1.00 0.00 C ATOM 1688 O ASP A 113 12.575 -5.825 -2.810 1.00 0.00 O ATOM 1689 CB ASP A 113 13.923 -2.824 -2.572 1.00 0.00 C ATOM 1690 CG ASP A 113 14.298 -1.585 -3.362 1.00 0.00 C ATOM 1691 OD1 ASP A 113 14.955 -1.724 -4.418 1.00 0.00 O ATOM 1692 OD2 ASP A 113 13.952 -0.469 -2.920 1.00 0.00 O ATOM 0 H ASP A 113 11.744 -1.615 -2.268 1.00 0.00 H new ATOM 0 HA ASP A 113 12.571 -3.585 -4.061 1.00 0.00 H new ATOM 0 HB2 ASP A 113 13.897 -2.576 -1.511 1.00 0.00 H new ATOM 0 HB3 ASP A 113 14.698 -3.579 -2.704 1.00 0.00 H new ATOM 1697 N VAL A 114 11.860 -4.670 -1.025 1.00 0.00 N ATOM 1698 CA VAL A 114 11.685 -5.849 -0.218 1.00 0.00 C ATOM 1699 C VAL A 114 10.337 -6.514 -0.542 1.00 0.00 C ATOM 1700 O VAL A 114 10.199 -7.735 -0.503 1.00 0.00 O ATOM 1701 CB VAL A 114 11.819 -5.492 1.267 1.00 0.00 C ATOM 1702 CG1 VAL A 114 13.094 -4.698 1.476 1.00 0.00 C ATOM 1703 CG2 VAL A 114 10.625 -4.726 1.770 1.00 0.00 C ATOM 0 H VAL A 114 11.577 -3.800 -0.573 1.00 0.00 H new ATOM 0 HA VAL A 114 12.466 -6.574 -0.449 1.00 0.00 H new ATOM 0 HB VAL A 114 11.865 -6.417 1.842 1.00 0.00 H new ATOM 0 HG11 VAL A 114 13.194 -4.441 2.531 1.00 0.00 H new ATOM 0 HG12 VAL A 114 13.950 -5.296 1.165 1.00 0.00 H new ATOM 0 HG13 VAL A 114 13.055 -3.785 0.883 1.00 0.00 H new ATOM 0 HG21 VAL A 114 10.761 -4.493 2.826 1.00 0.00 H new ATOM 0 HG22 VAL A 114 10.522 -3.800 1.204 1.00 0.00 H new ATOM 0 HG23 VAL A 114 9.726 -5.330 1.644 1.00 0.00 H new ATOM 1713 N ALA A 115 9.353 -5.698 -0.912 1.00 0.00 N ATOM 1714 CA ALA A 115 8.060 -6.209 -1.378 1.00 0.00 C ATOM 1715 C ALA A 115 8.221 -7.055 -2.626 1.00 0.00 C ATOM 1716 O ALA A 115 7.656 -8.149 -2.726 1.00 0.00 O ATOM 1717 CB ALA A 115 7.096 -5.081 -1.663 1.00 0.00 C ATOM 0 H ALA A 115 9.423 -4.680 -0.899 1.00 0.00 H new ATOM 0 HA ALA A 115 7.656 -6.829 -0.577 1.00 0.00 H new ATOM 0 HB1 ALA A 115 6.147 -5.492 -2.007 1.00 0.00 H new ATOM 0 HB2 ALA A 115 6.933 -4.503 -0.753 1.00 0.00 H new ATOM 0 HB3 ALA A 115 7.512 -4.433 -2.435 1.00 0.00 H new ATOM 1723 N MET A 116 8.993 -6.557 -3.586 1.00 0.00 N ATOM 1724 CA MET A 116 9.223 -7.326 -4.800 1.00 0.00 C ATOM 1725 C MET A 116 10.055 -8.562 -4.487 1.00 0.00 C ATOM 1726 O MET A 116 9.977 -9.554 -5.200 1.00 0.00 O ATOM 1727 CB MET A 116 9.808 -6.499 -5.975 1.00 0.00 C ATOM 1728 CG MET A 116 11.072 -5.684 -5.704 1.00 0.00 C ATOM 1729 SD MET A 116 11.682 -4.853 -7.184 1.00 0.00 S ATOM 1730 CE MET A 116 13.021 -3.882 -6.495 1.00 0.00 C ATOM 0 H MET A 116 9.458 -5.650 -3.550 1.00 0.00 H new ATOM 0 HA MET A 116 8.245 -7.645 -5.161 1.00 0.00 H new ATOM 0 HB2 MET A 116 10.019 -7.184 -6.796 1.00 0.00 H new ATOM 0 HB3 MET A 116 9.034 -5.814 -6.322 1.00 0.00 H new ATOM 0 HG2 MET A 116 10.865 -4.942 -4.933 1.00 0.00 H new ATOM 0 HG3 MET A 116 11.849 -6.341 -5.313 1.00 0.00 H new ATOM 0 HE1 MET A 116 13.790 -3.733 -7.253 1.00 0.00 H new ATOM 0 HE2 MET A 116 12.639 -2.914 -6.170 1.00 0.00 H new ATOM 0 HE3 MET A 116 13.450 -4.407 -5.642 1.00 0.00 H new ATOM 1740 N CYS A 117 10.761 -8.525 -3.359 1.00 0.00 N ATOM 1741 CA CYS A 117 11.516 -9.673 -2.860 1.00 0.00 C ATOM 1742 C CYS A 117 10.547 -10.755 -2.415 1.00 0.00 C ATOM 1743 O CYS A 117 10.815 -11.950 -2.542 1.00 0.00 O ATOM 1744 CB CYS A 117 12.417 -9.222 -1.700 1.00 0.00 C ATOM 1745 SG CYS A 117 13.255 -10.563 -0.797 1.00 0.00 S ATOM 0 H CYS A 117 10.826 -7.698 -2.765 1.00 0.00 H new ATOM 0 HA CYS A 117 12.149 -10.082 -3.648 1.00 0.00 H new ATOM 0 HB2 CYS A 117 13.174 -8.543 -2.093 1.00 0.00 H new ATOM 0 HB3 CYS A 117 11.813 -8.653 -0.993 1.00 0.00 H new ATOM 1750 N PHE A 118 9.386 -10.316 -1.964 1.00 0.00 N ATOM 1751 CA PHE A 118 8.369 -11.234 -1.474 1.00 0.00 C ATOM 1752 C PHE A 118 7.641 -11.921 -2.626 1.00 0.00 C ATOM 1753 O PHE A 118 7.503 -13.143 -2.625 1.00 0.00 O ATOM 1754 CB PHE A 118 7.374 -10.526 -0.541 1.00 0.00 C ATOM 1755 CG PHE A 118 6.183 -11.372 -0.176 1.00 0.00 C ATOM 1756 CD1 PHE A 118 6.303 -12.405 0.739 1.00 0.00 C ATOM 1757 CD2 PHE A 118 4.944 -11.133 -0.751 1.00 0.00 C ATOM 1758 CE1 PHE A 118 5.212 -13.183 1.072 1.00 0.00 C ATOM 1759 CE2 PHE A 118 3.850 -11.908 -0.420 1.00 0.00 C ATOM 1760 CZ PHE A 118 3.985 -12.934 0.493 1.00 0.00 C ATOM 0 H PHE A 118 9.122 -9.331 -1.926 1.00 0.00 H new ATOM 0 HA PHE A 118 8.879 -12.003 -0.893 1.00 0.00 H new ATOM 0 HB2 PHE A 118 7.892 -10.230 0.371 1.00 0.00 H new ATOM 0 HB3 PHE A 118 7.026 -9.612 -1.021 1.00 0.00 H new ATOM 0 HD1 PHE A 118 7.261 -12.604 1.197 1.00 0.00 H new ATOM 0 HD2 PHE A 118 4.833 -10.331 -1.466 1.00 0.00 H new ATOM 0 HE1 PHE A 118 5.319 -13.986 1.786 1.00 0.00 H new ATOM 0 HE2 PHE A 118 2.890 -11.711 -0.875 1.00 0.00 H new ATOM 0 HZ PHE A 118 3.131 -13.541 0.754 1.00 0.00 H new ATOM 1770 N LYS A 119 7.170 -11.161 -3.619 1.00 0.00 N ATOM 1771 CA LYS A 119 6.512 -11.806 -4.758 1.00 0.00 C ATOM 1772 C LYS A 119 7.521 -12.555 -5.622 1.00 0.00 C ATOM 1773 O LYS A 119 7.141 -13.394 -6.433 1.00 0.00 O ATOM 1774 CB LYS A 119 5.546 -10.906 -5.589 1.00 0.00 C ATOM 1775 CG LYS A 119 5.942 -9.454 -5.871 1.00 0.00 C ATOM 1776 CD LYS A 119 6.490 -9.246 -7.283 1.00 0.00 C ATOM 1777 CE LYS A 119 7.740 -10.057 -7.560 1.00 0.00 C ATOM 1778 NZ LYS A 119 8.188 -9.925 -8.969 1.00 0.00 N ATOM 0 H LYS A 119 7.227 -10.143 -3.660 1.00 0.00 H new ATOM 0 HA LYS A 119 5.833 -12.533 -4.313 1.00 0.00 H new ATOM 0 HB2 LYS A 119 5.385 -11.396 -6.549 1.00 0.00 H new ATOM 0 HB3 LYS A 119 4.586 -10.891 -5.074 1.00 0.00 H new ATOM 0 HG2 LYS A 119 5.073 -8.812 -5.727 1.00 0.00 H new ATOM 0 HG3 LYS A 119 6.694 -9.141 -5.146 1.00 0.00 H new ATOM 0 HD2 LYS A 119 5.722 -9.515 -8.008 1.00 0.00 H new ATOM 0 HD3 LYS A 119 6.710 -8.188 -7.429 1.00 0.00 H new ATOM 0 HE2 LYS A 119 8.539 -9.731 -6.894 1.00 0.00 H new ATOM 0 HE3 LYS A 119 7.548 -11.107 -7.338 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 8.682 -10.793 -9.259 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 7.362 -9.775 -9.583 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 8.834 -9.114 -9.053 1.00 0.00 H new ATOM 1792 N LYS A 120 8.811 -12.249 -5.448 1.00 0.00 N ATOM 1793 CA LYS A 120 9.867 -13.062 -6.050 1.00 0.00 C ATOM 1794 C LYS A 120 9.789 -14.471 -5.474 1.00 0.00 C ATOM 1795 O LYS A 120 9.689 -15.453 -6.209 1.00 0.00 O ATOM 1796 CB LYS A 120 11.253 -12.475 -5.768 1.00 0.00 C ATOM 1797 CG LYS A 120 12.002 -12.025 -7.017 1.00 0.00 C ATOM 1798 CD LYS A 120 12.027 -10.512 -7.135 1.00 0.00 C ATOM 1799 CE LYS A 120 12.731 -9.878 -5.944 1.00 0.00 C ATOM 1800 NZ LYS A 120 14.208 -10.033 -6.015 1.00 0.00 N ATOM 0 H LYS A 120 9.144 -11.454 -4.902 1.00 0.00 H new ATOM 0 HA LYS A 120 9.721 -13.078 -7.130 1.00 0.00 H new ATOM 0 HB2 LYS A 120 11.146 -11.624 -5.095 1.00 0.00 H new ATOM 0 HB3 LYS A 120 11.853 -13.221 -5.246 1.00 0.00 H new ATOM 0 HG2 LYS A 120 13.023 -12.406 -6.987 1.00 0.00 H new ATOM 0 HG3 LYS A 120 11.528 -12.452 -7.901 1.00 0.00 H new ATOM 0 HD2 LYS A 120 12.535 -10.225 -8.056 1.00 0.00 H new ATOM 0 HD3 LYS A 120 11.007 -10.133 -7.202 1.00 0.00 H new ATOM 0 HE2 LYS A 120 12.481 -8.818 -5.899 1.00 0.00 H new ATOM 0 HE3 LYS A 120 12.364 -10.332 -5.024 1.00 0.00 H new ATOM 0 HZ1 LYS A 120 14.644 -9.586 -5.183 1.00 0.00 H new ATOM 0 HZ2 LYS A 120 14.451 -11.044 -6.032 1.00 0.00 H new ATOM 0 HZ3 LYS A 120 14.564 -9.577 -6.880 1.00 0.00 H new ATOM 1814 N GLU A 121 9.823 -14.550 -4.147 1.00 0.00 N ATOM 1815 CA GLU A 121 9.631 -15.819 -3.440 1.00 0.00 C ATOM 1816 C GLU A 121 8.276 -16.467 -3.761 1.00 0.00 C ATOM 1817 O GLU A 121 8.221 -17.658 -4.067 1.00 0.00 O ATOM 1818 CB GLU A 121 9.766 -15.618 -1.929 1.00 0.00 C ATOM 1819 CG GLU A 121 11.199 -15.392 -1.472 1.00 0.00 C ATOM 1820 CD GLU A 121 12.107 -16.552 -1.825 1.00 0.00 C ATOM 1821 OE1 GLU A 121 12.122 -17.554 -1.076 1.00 0.00 O ATOM 1822 OE2 GLU A 121 12.809 -16.469 -2.856 1.00 0.00 O ATOM 0 H GLU A 121 9.982 -13.749 -3.535 1.00 0.00 H new ATOM 0 HA GLU A 121 10.411 -16.496 -3.788 1.00 0.00 H new ATOM 0 HB2 GLU A 121 9.158 -14.764 -1.628 1.00 0.00 H new ATOM 0 HB3 GLU A 121 9.363 -16.492 -1.417 1.00 0.00 H new ATOM 0 HG2 GLU A 121 11.584 -14.481 -1.929 1.00 0.00 H new ATOM 0 HG3 GLU A 121 11.213 -15.238 -0.393 1.00 0.00 H new ATOM 1829 N ILE A 122 7.181 -15.705 -3.681 1.00 0.00 N ATOM 1830 CA ILE A 122 5.866 -16.236 -4.005 1.00 0.00 C ATOM 1831 C ILE A 122 5.820 -16.779 -5.450 1.00 0.00 C ATOM 1832 O ILE A 122 5.136 -17.766 -5.722 1.00 0.00 O ATOM 1833 CB ILE A 122 4.752 -15.178 -3.736 1.00 0.00 C ATOM 1834 CG1 ILE A 122 3.720 -15.752 -2.765 1.00 0.00 C ATOM 1835 CG2 ILE A 122 4.073 -14.702 -5.016 1.00 0.00 C ATOM 1836 CD1 ILE A 122 2.911 -16.904 -3.328 1.00 0.00 C ATOM 0 H ILE A 122 7.185 -14.726 -3.396 1.00 0.00 H new ATOM 0 HA ILE A 122 5.671 -17.081 -3.345 1.00 0.00 H new ATOM 0 HB ILE A 122 5.230 -14.305 -3.292 1.00 0.00 H new ATOM 0 HG12 ILE A 122 4.233 -16.089 -1.864 1.00 0.00 H new ATOM 0 HG13 ILE A 122 3.038 -14.956 -2.465 1.00 0.00 H new ATOM 0 HG21 ILE A 122 3.307 -13.967 -4.770 1.00 0.00 H new ATOM 0 HG22 ILE A 122 4.814 -14.247 -5.673 1.00 0.00 H new ATOM 0 HG23 ILE A 122 3.612 -15.551 -5.521 1.00 0.00 H new ATOM 0 HD11 ILE A 122 2.203 -17.253 -2.576 1.00 0.00 H new ATOM 0 HD12 ILE A 122 2.367 -16.569 -4.211 1.00 0.00 H new ATOM 0 HD13 ILE A 122 3.581 -17.719 -3.602 1.00 0.00 H new ATOM 1848 N HIS A 123 6.556 -16.151 -6.374 1.00 0.00 N ATOM 1849 CA HIS A 123 6.671 -16.677 -7.736 1.00 0.00 C ATOM 1850 C HIS A 123 7.538 -17.944 -7.786 1.00 0.00 C ATOM 1851 O HIS A 123 7.301 -18.818 -8.618 1.00 0.00 O ATOM 1852 CB HIS A 123 7.225 -15.613 -8.696 1.00 0.00 C ATOM 1853 CG HIS A 123 6.200 -14.612 -9.160 1.00 0.00 C ATOM 1854 ND1 HIS A 123 6.384 -13.803 -10.263 1.00 0.00 N ATOM 1855 CD2 HIS A 123 4.974 -14.290 -8.669 1.00 0.00 C ATOM 1856 CE1 HIS A 123 5.323 -13.034 -10.430 1.00 0.00 C ATOM 1857 NE2 HIS A 123 4.456 -13.309 -9.479 1.00 0.00 N ATOM 0 H HIS A 123 7.074 -15.289 -6.206 1.00 0.00 H new ATOM 0 HA HIS A 123 5.666 -16.946 -8.060 1.00 0.00 H new ATOM 0 HB2 HIS A 123 8.039 -15.082 -8.202 1.00 0.00 H new ATOM 0 HB3 HIS A 123 7.651 -16.111 -9.567 1.00 0.00 H new ATOM 0 HD2 HIS A 123 4.496 -14.725 -7.803 1.00 0.00 H new ATOM 0 HE1 HIS A 123 5.190 -12.303 -11.214 1.00 0.00 H new ATOM 0 HE2 HIS A 123 3.545 -12.865 -9.362 1.00 0.00 H new ATOM 1866 N LYS A 124 8.535 -18.045 -6.899 1.00 0.00 N ATOM 1867 CA LYS A 124 9.364 -19.239 -6.793 1.00 0.00 C ATOM 1868 C LYS A 124 8.537 -20.423 -6.292 1.00 0.00 C ATOM 1869 O LYS A 124 8.724 -21.557 -6.733 1.00 0.00 O ATOM 1870 CB LYS A 124 10.512 -18.963 -5.816 1.00 0.00 C ATOM 1871 CG LYS A 124 11.421 -20.152 -5.572 1.00 0.00 C ATOM 1872 CD LYS A 124 12.309 -20.420 -6.766 1.00 0.00 C ATOM 1873 CE LYS A 124 13.102 -21.706 -6.581 1.00 0.00 C ATOM 1874 NZ LYS A 124 14.215 -21.827 -7.559 1.00 0.00 N ATOM 0 H LYS A 124 8.784 -17.305 -6.242 1.00 0.00 H new ATOM 0 HA LYS A 124 9.762 -19.487 -7.777 1.00 0.00 H new ATOM 0 HB2 LYS A 124 11.110 -18.136 -6.200 1.00 0.00 H new ATOM 0 HB3 LYS A 124 10.093 -18.639 -4.863 1.00 0.00 H new ATOM 0 HG2 LYS A 124 12.037 -19.967 -4.692 1.00 0.00 H new ATOM 0 HG3 LYS A 124 10.819 -21.035 -5.359 1.00 0.00 H new ATOM 0 HD2 LYS A 124 11.700 -20.491 -7.667 1.00 0.00 H new ATOM 0 HD3 LYS A 124 12.994 -19.584 -6.909 1.00 0.00 H new ATOM 0 HE2 LYS A 124 13.505 -21.739 -5.569 1.00 0.00 H new ATOM 0 HE3 LYS A 124 12.434 -22.561 -6.686 1.00 0.00 H new ATOM 0 HZ1 LYS A 124 14.726 -22.718 -7.395 1.00 0.00 H new ATOM 0 HZ2 LYS A 124 13.830 -21.822 -8.525 1.00 0.00 H new ATOM 0 HZ3 LYS A 124 14.868 -21.026 -7.442 1.00 0.00 H new ATOM 1888 N LEU A 125 7.620 -20.141 -5.374 1.00 0.00 N ATOM 1889 CA LEU A 125 6.646 -21.133 -4.922 1.00 0.00 C ATOM 1890 C LEU A 125 5.676 -21.497 -6.049 1.00 0.00 C ATOM 1891 O LEU A 125 5.261 -22.652 -6.171 1.00 0.00 O ATOM 1892 CB LEU A 125 5.860 -20.590 -3.724 1.00 0.00 C ATOM 1893 CG LEU A 125 6.706 -20.150 -2.528 1.00 0.00 C ATOM 1894 CD1 LEU A 125 5.825 -19.507 -1.464 1.00 0.00 C ATOM 1895 CD2 LEU A 125 7.472 -21.333 -1.949 1.00 0.00 C ATOM 0 H LEU A 125 7.529 -19.230 -4.925 1.00 0.00 H new ATOM 0 HA LEU A 125 7.188 -22.031 -4.625 1.00 0.00 H new ATOM 0 HB2 LEU A 125 5.264 -19.741 -4.057 1.00 0.00 H new ATOM 0 HB3 LEU A 125 5.162 -21.358 -3.391 1.00 0.00 H new ATOM 0 HG LEU A 125 7.430 -19.410 -2.869 1.00 0.00 H new ATOM 0 HD11 LEU A 125 6.441 -19.199 -0.619 1.00 0.00 H new ATOM 0 HD12 LEU A 125 5.324 -18.635 -1.885 1.00 0.00 H new ATOM 0 HD13 LEU A 125 5.079 -20.226 -1.126 1.00 0.00 H new ATOM 0 HD21 LEU A 125 8.068 -21.000 -1.099 1.00 0.00 H new ATOM 0 HD22 LEU A 125 6.767 -22.097 -1.621 1.00 0.00 H new ATOM 0 HD23 LEU A 125 8.129 -21.749 -2.712 1.00 0.00 H new