USER MOD reduce.3.24.130724 H: found=0, std=0, add=1005, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 1004 hydrogens (31 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 6 SER OG : rot 38:sc= 0.488 USER MOD Set 1.2: A 54 MET CE :methyl 171:sc= -1.2 (180deg=-1.38) USER MOD Set 1.3: A 71 GLN : amide:sc= -0.581 K(o=-2.5,f=-9.7!) USER MOD Set 1.4: A 119 SER OG : rot 59:sc= -1.16! USER MOD Set 2.1: A 44 MET CE :methyl -147:sc= -0.0752 (180deg=-0.208) USER MOD Set 2.2: A 99 HIS : no HE2:sc= -1.13! C(o=-1.2!,f=-4.6!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -179:sc= 0 (180deg=-0.00131) USER MOD Single : A 4 THR OG1 : rot 180:sc= -0.0322 USER MOD Single : A 7 THR OG1 : rot -69:sc= 1.18 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 GLN : amide:sc= -0.639 X(o=-0.64,f=-0.26) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot 81:sc= 1.19 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot 73:sc= 1.32 USER MOD Single : A 23 ASN :FLIP amide:sc= 0 F(o=-0.78,f=0) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ -167:sc= -0.0396 (180deg=-0.218) USER MOD Single : A 42 THR OG1 : rot 89:sc= 1.25 USER MOD Single : A 43 THR OG1 : rot -61:sc= 0.0588 USER MOD Single : A 46 TYR OH : rot -163:sc= 0.689 USER MOD Single : A 48 LYS NZ :NH3+ 172:sc=-0.00272 (180deg=-0.0807) USER MOD Single : A 52 ASN :FLIP amide:sc=-9.86e-05 F(o=-0.51,f=-9.9e-05) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 GLN : amide:sc= 0 K(o=0,f=-0.78) USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 ASN : amide:sc= 0.38 K(o=0.38,f=-1.4!) USER MOD Single : A 70 HIS : no HD1:sc= -0.301 K(o=-0.3,f=-2.4!) USER MOD Single : A 74 HIS : no HD1:sc= 0.0542 X(o=0.054,f=-0.38) USER MOD Single : A 83 THR OG1 : rot 76:sc= 0.451 USER MOD Single : A 87 LYS NZ :NH3+ -138:sc= -0.077 (180deg=-0.498) USER MOD Single : A 91 LYS NZ :NH3+ -163:sc= -0.0526 (180deg=-0.374) USER MOD Single : A 92 ASN : amide:sc= -0.0215 K(o=-0.022,f=-1.3) USER MOD Single : A 93 THR OG1 : rot 180:sc= 0.0142 USER MOD Single : A 95 ASN : amide:sc=-0.00427 K(o=-0.0043,f=-0.88) USER MOD Single : A 96 ASN : amide:sc= -0.138 K(o=-0.14,f=-0.83) USER MOD Single : A 106 LYS NZ :NH3+ -171:sc= 1.25 (180deg=1.16) USER MOD Single : A 109 GLN : amide:sc= -0.263 K(o=-0.26,f=-2.3!) USER MOD Single : A 110 LYS NZ :NH3+ 170:sc= -0.0024 (180deg=-0.103) USER MOD Single : A 111 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 112 ASN : amide:sc= 0.961 K(o=0.96,f=-0.4) USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD Single : A 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 121 LYS NZ :NH3+ 162:sc= -0.0532 (180deg=-0.386) USER MOD Single : A 122 LYS NZ :NH3+ 170:sc= 0.444 (180deg=0.309) USER MOD Single : A 201 ACD O2 : rot 110:sc= 0.404 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 18.525 5.693 -9.183 1.00 0.00 N ATOM 2 CA MET A 1 18.843 6.549 -10.351 1.00 0.00 C ATOM 3 C MET A 1 18.206 7.928 -10.209 1.00 0.00 C ATOM 4 O MET A 1 18.861 8.949 -10.433 1.00 0.00 O ATOM 5 CB MET A 1 18.369 5.879 -11.646 1.00 0.00 C ATOM 6 CG MET A 1 18.545 6.741 -12.886 1.00 0.00 C ATOM 7 SD MET A 1 20.246 7.290 -13.119 1.00 0.00 S ATOM 8 CE MET A 1 20.086 8.228 -14.635 1.00 0.00 C ATOM 0 H1 MET A 1 18.984 4.767 -9.296 1.00 0.00 H new ATOM 0 H2 MET A 1 18.872 6.148 -8.315 1.00 0.00 H new ATOM 0 H3 MET A 1 17.495 5.563 -9.118 1.00 0.00 H new ATOM 0 HA MET A 1 19.925 6.676 -10.393 1.00 0.00 H new ATOM 0 HB2 MET A 1 18.917 4.947 -11.783 1.00 0.00 H new ATOM 0 HB3 MET A 1 17.316 5.618 -11.544 1.00 0.00 H new ATOM 0 HG2 MET A 1 18.227 6.177 -13.763 1.00 0.00 H new ATOM 0 HG3 MET A 1 17.894 7.612 -12.813 1.00 0.00 H new ATOM 0 HE1 MET A 1 21.057 8.636 -14.915 1.00 0.00 H new ATOM 0 HE2 MET A 1 19.724 7.576 -15.430 1.00 0.00 H new ATOM 0 HE3 MET A 1 19.379 9.044 -14.485 1.00 0.00 H new ATOM 20 N GLU A 2 16.935 7.961 -9.840 1.00 0.00 N ATOM 21 CA GLU A 2 16.218 9.216 -9.697 1.00 0.00 C ATOM 22 C GLU A 2 15.704 9.381 -8.281 1.00 0.00 C ATOM 23 O GLU A 2 15.115 8.460 -7.714 1.00 0.00 O ATOM 24 CB GLU A 2 15.038 9.281 -10.663 1.00 0.00 C ATOM 25 CG GLU A 2 15.416 9.123 -12.121 1.00 0.00 C ATOM 26 CD GLU A 2 14.225 9.281 -13.038 1.00 0.00 C ATOM 27 OE1 GLU A 2 13.586 8.263 -13.371 1.00 0.00 O ATOM 28 OE2 GLU A 2 13.916 10.429 -13.422 1.00 0.00 O ATOM 0 H GLU A 2 16.379 7.131 -9.634 1.00 0.00 H new ATOM 0 HA GLU A 2 16.917 10.021 -9.926 1.00 0.00 H new ATOM 0 HB2 GLU A 2 14.324 8.501 -10.398 1.00 0.00 H new ATOM 0 HB3 GLU A 2 14.530 10.236 -10.533 1.00 0.00 H new ATOM 0 HG2 GLU A 2 16.173 9.863 -12.381 1.00 0.00 H new ATOM 0 HG3 GLU A 2 15.863 8.141 -12.275 1.00 0.00 H new ATOM 35 N PHE A 3 15.941 10.544 -7.706 1.00 0.00 N ATOM 36 CA PHE A 3 15.347 10.874 -6.425 1.00 0.00 C ATOM 37 C PHE A 3 13.972 11.481 -6.642 1.00 0.00 C ATOM 38 O PHE A 3 13.833 12.665 -6.942 1.00 0.00 O ATOM 39 CB PHE A 3 16.239 11.835 -5.637 1.00 0.00 C ATOM 40 CG PHE A 3 15.628 12.305 -4.343 1.00 0.00 C ATOM 41 CD1 PHE A 3 15.058 11.405 -3.455 1.00 0.00 C ATOM 42 CD2 PHE A 3 15.626 13.652 -4.019 1.00 0.00 C ATOM 43 CE1 PHE A 3 14.497 11.842 -2.272 1.00 0.00 C ATOM 44 CE2 PHE A 3 15.066 14.093 -2.836 1.00 0.00 C ATOM 45 CZ PHE A 3 14.501 13.187 -1.961 1.00 0.00 C ATOM 0 H PHE A 3 16.536 11.272 -8.102 1.00 0.00 H new ATOM 0 HA PHE A 3 15.247 9.959 -5.841 1.00 0.00 H new ATOM 0 HB2 PHE A 3 17.188 11.343 -5.423 1.00 0.00 H new ATOM 0 HB3 PHE A 3 16.463 12.702 -6.259 1.00 0.00 H new ATOM 0 HD1 PHE A 3 15.053 10.351 -3.692 1.00 0.00 H new ATOM 0 HD2 PHE A 3 16.067 14.365 -4.699 1.00 0.00 H new ATOM 0 HE1 PHE A 3 14.055 11.131 -1.589 1.00 0.00 H new ATOM 0 HE2 PHE A 3 15.070 15.146 -2.596 1.00 0.00 H new ATOM 0 HZ PHE A 3 14.063 13.530 -1.035 1.00 0.00 H new ATOM 55 N THR A 4 12.961 10.651 -6.508 1.00 0.00 N ATOM 56 CA THR A 4 11.586 11.087 -6.629 1.00 0.00 C ATOM 57 C THR A 4 10.698 10.210 -5.768 1.00 0.00 C ATOM 58 O THR A 4 10.500 9.030 -6.062 1.00 0.00 O ATOM 59 CB THR A 4 11.090 11.026 -8.086 1.00 0.00 C ATOM 60 OG1 THR A 4 12.196 10.868 -8.989 1.00 0.00 O ATOM 61 CG2 THR A 4 10.332 12.291 -8.436 1.00 0.00 C ATOM 0 H THR A 4 13.068 9.656 -6.312 1.00 0.00 H new ATOM 0 HA THR A 4 11.538 12.124 -6.297 1.00 0.00 H new ATOM 0 HB THR A 4 10.425 10.168 -8.183 1.00 0.00 H new ATOM 0 HG1 THR A 4 11.863 10.829 -9.910 1.00 0.00 H new ATOM 0 HG21 THR A 4 9.987 12.235 -9.468 1.00 0.00 H new ATOM 0 HG22 THR A 4 9.474 12.397 -7.772 1.00 0.00 H new ATOM 0 HG23 THR A 4 10.989 13.153 -8.320 1.00 0.00 H new ATOM 69 N VAL A 5 10.192 10.779 -4.692 1.00 0.00 N ATOM 70 CA VAL A 5 9.319 10.054 -3.790 1.00 0.00 C ATOM 71 C VAL A 5 7.907 10.617 -3.885 1.00 0.00 C ATOM 72 O VAL A 5 7.716 11.794 -4.199 1.00 0.00 O ATOM 73 CB VAL A 5 9.822 10.117 -2.319 1.00 0.00 C ATOM 74 CG1 VAL A 5 11.339 10.211 -2.279 1.00 0.00 C ATOM 75 CG2 VAL A 5 9.189 11.261 -1.537 1.00 0.00 C ATOM 0 H VAL A 5 10.371 11.746 -4.420 1.00 0.00 H new ATOM 0 HA VAL A 5 9.321 9.006 -4.090 1.00 0.00 H new ATOM 0 HB VAL A 5 9.512 9.192 -1.833 1.00 0.00 H new ATOM 0 HG11 VAL A 5 11.674 10.254 -1.243 1.00 0.00 H new ATOM 0 HG12 VAL A 5 11.771 9.335 -2.764 1.00 0.00 H new ATOM 0 HG13 VAL A 5 11.662 11.111 -2.802 1.00 0.00 H new ATOM 0 HG21 VAL A 5 9.573 11.261 -0.517 1.00 0.00 H new ATOM 0 HG22 VAL A 5 9.433 12.209 -2.017 1.00 0.00 H new ATOM 0 HG23 VAL A 5 8.107 11.133 -1.517 1.00 0.00 H new ATOM 85 N SER A 6 6.924 9.765 -3.661 1.00 0.00 N ATOM 86 CA SER A 6 5.541 10.197 -3.652 1.00 0.00 C ATOM 87 C SER A 6 5.237 10.911 -2.338 1.00 0.00 C ATOM 88 O SER A 6 5.068 10.270 -1.301 1.00 0.00 O ATOM 89 CB SER A 6 4.611 8.998 -3.845 1.00 0.00 C ATOM 90 OG SER A 6 4.881 7.985 -2.890 1.00 0.00 O ATOM 0 H SER A 6 7.059 8.770 -3.483 1.00 0.00 H new ATOM 0 HA SER A 6 5.374 10.891 -4.476 1.00 0.00 H new ATOM 0 HB2 SER A 6 3.574 9.320 -3.755 1.00 0.00 H new ATOM 0 HB3 SER A 6 4.734 8.596 -4.851 1.00 0.00 H new ATOM 0 HG SER A 6 5.089 8.397 -2.026 1.00 0.00 H new ATOM 96 N THR A 7 5.196 12.234 -2.383 1.00 0.00 N ATOM 97 CA THR A 7 5.000 13.026 -1.182 1.00 0.00 C ATOM 98 C THR A 7 3.550 12.975 -0.716 1.00 0.00 C ATOM 99 O THR A 7 2.691 12.414 -1.403 1.00 0.00 O ATOM 100 CB THR A 7 5.403 14.496 -1.408 1.00 0.00 C ATOM 101 OG1 THR A 7 4.599 15.071 -2.450 1.00 0.00 O ATOM 102 CG2 THR A 7 6.873 14.607 -1.780 1.00 0.00 C ATOM 0 H THR A 7 5.296 12.780 -3.239 1.00 0.00 H new ATOM 0 HA THR A 7 5.639 12.594 -0.412 1.00 0.00 H new ATOM 0 HB THR A 7 5.239 15.039 -0.477 1.00 0.00 H new ATOM 0 HG1 THR A 7 4.842 14.669 -3.310 1.00 0.00 H new ATOM 0 HG21 THR A 7 7.131 15.655 -1.934 1.00 0.00 H new ATOM 0 HG22 THR A 7 7.484 14.197 -0.976 1.00 0.00 H new ATOM 0 HG23 THR A 7 7.059 14.049 -2.698 1.00 0.00 H new ATOM 110 N THR A 8 3.286 13.556 0.446 1.00 0.00 N ATOM 111 CA THR A 8 1.936 13.643 0.976 1.00 0.00 C ATOM 112 C THR A 8 0.989 14.264 -0.056 1.00 0.00 C ATOM 113 O THR A 8 -0.092 13.733 -0.320 1.00 0.00 O ATOM 114 CB THR A 8 1.920 14.474 2.272 1.00 0.00 C ATOM 115 OG1 THR A 8 2.863 13.936 3.215 1.00 0.00 O ATOM 116 CG2 THR A 8 0.533 14.487 2.890 1.00 0.00 C ATOM 0 H THR A 8 3.998 13.977 1.043 1.00 0.00 H new ATOM 0 HA THR A 8 1.593 12.633 1.200 1.00 0.00 H new ATOM 0 HB THR A 8 2.200 15.498 2.022 1.00 0.00 H new ATOM 0 HG1 THR A 8 2.847 14.472 4.035 1.00 0.00 H new ATOM 0 HG21 THR A 8 0.548 15.080 3.804 1.00 0.00 H new ATOM 0 HG22 THR A 8 -0.175 14.923 2.186 1.00 0.00 H new ATOM 0 HG23 THR A 8 0.230 13.467 3.125 1.00 0.00 H new ATOM 124 N GLU A 9 1.420 15.373 -0.651 1.00 0.00 N ATOM 125 CA GLU A 9 0.648 16.059 -1.684 1.00 0.00 C ATOM 126 C GLU A 9 0.313 15.127 -2.849 1.00 0.00 C ATOM 127 O GLU A 9 -0.847 15.029 -3.257 1.00 0.00 O ATOM 128 CB GLU A 9 1.416 17.272 -2.205 1.00 0.00 C ATOM 129 CG GLU A 9 0.677 18.041 -3.281 1.00 0.00 C ATOM 130 CD GLU A 9 1.516 19.144 -3.880 1.00 0.00 C ATOM 131 OE1 GLU A 9 2.123 18.920 -4.950 1.00 0.00 O ATOM 132 OE2 GLU A 9 1.582 20.239 -3.280 1.00 0.00 O ATOM 0 H GLU A 9 2.310 15.820 -0.432 1.00 0.00 H new ATOM 0 HA GLU A 9 -0.286 16.387 -1.229 1.00 0.00 H new ATOM 0 HB2 GLU A 9 1.629 17.942 -1.372 1.00 0.00 H new ATOM 0 HB3 GLU A 9 2.376 16.941 -2.601 1.00 0.00 H new ATOM 0 HG2 GLU A 9 0.370 17.353 -4.069 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -0.232 18.469 -2.859 1.00 0.00 H new ATOM 139 N ASP A 10 1.330 14.442 -3.377 1.00 0.00 N ATOM 140 CA ASP A 10 1.132 13.537 -4.507 1.00 0.00 C ATOM 141 C ASP A 10 0.146 12.446 -4.127 1.00 0.00 C ATOM 142 O ASP A 10 -0.736 12.084 -4.908 1.00 0.00 O ATOM 143 CB ASP A 10 2.446 12.889 -4.964 1.00 0.00 C ATOM 144 CG ASP A 10 3.529 13.892 -5.306 1.00 0.00 C ATOM 145 OD1 ASP A 10 4.627 13.810 -4.709 1.00 0.00 O ATOM 146 OD2 ASP A 10 3.298 14.763 -6.171 1.00 0.00 O ATOM 0 H ASP A 10 2.292 14.497 -3.042 1.00 0.00 H new ATOM 0 HA ASP A 10 0.742 14.131 -5.334 1.00 0.00 H new ATOM 0 HB2 ASP A 10 2.809 12.229 -4.176 1.00 0.00 H new ATOM 0 HB3 ASP A 10 2.250 12.266 -5.837 1.00 0.00 H new ATOM 151 N LEU A 11 0.289 11.947 -2.907 1.00 0.00 N ATOM 152 CA LEU A 11 -0.570 10.893 -2.402 1.00 0.00 C ATOM 153 C LEU A 11 -2.015 11.367 -2.300 1.00 0.00 C ATOM 154 O LEU A 11 -2.940 10.623 -2.618 1.00 0.00 O ATOM 155 CB LEU A 11 -0.069 10.405 -1.039 1.00 0.00 C ATOM 156 CG LEU A 11 -0.963 9.372 -0.365 1.00 0.00 C ATOM 157 CD1 LEU A 11 -1.002 8.101 -1.188 1.00 0.00 C ATOM 158 CD2 LEU A 11 -0.475 9.086 1.044 1.00 0.00 C ATOM 0 H LEU A 11 1.000 12.261 -2.246 1.00 0.00 H new ATOM 0 HA LEU A 11 -0.537 10.061 -3.106 1.00 0.00 H new ATOM 0 HB2 LEU A 11 0.926 9.978 -1.164 1.00 0.00 H new ATOM 0 HB3 LEU A 11 0.034 11.264 -0.376 1.00 0.00 H new ATOM 0 HG LEU A 11 -1.975 9.772 -0.299 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -1.644 7.369 -0.697 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -1.396 8.322 -2.180 1.00 0.00 H new ATOM 0 HD13 LEU A 11 0.006 7.696 -1.280 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -1.125 8.346 1.511 1.00 0.00 H new ATOM 0 HD22 LEU A 11 0.544 8.701 1.005 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -0.493 10.006 1.629 1.00 0.00 H new ATOM 170 N GLN A 12 -2.206 12.616 -1.886 1.00 0.00 N ATOM 171 CA GLN A 12 -3.548 13.162 -1.729 1.00 0.00 C ATOM 172 C GLN A 12 -4.226 13.295 -3.082 1.00 0.00 C ATOM 173 O GLN A 12 -5.441 13.130 -3.200 1.00 0.00 O ATOM 174 CB GLN A 12 -3.515 14.515 -1.022 1.00 0.00 C ATOM 175 CG GLN A 12 -3.103 14.430 0.440 1.00 0.00 C ATOM 176 CD GLN A 12 -4.007 13.526 1.257 1.00 0.00 C ATOM 177 OE1 GLN A 12 -5.019 13.968 1.800 1.00 0.00 O ATOM 178 NE2 GLN A 12 -3.642 12.256 1.354 1.00 0.00 N ATOM 0 H GLN A 12 -1.453 13.265 -1.655 1.00 0.00 H new ATOM 0 HA GLN A 12 -4.121 12.471 -1.111 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -2.823 15.173 -1.548 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -4.502 14.973 -1.086 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -2.078 14.063 0.503 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -3.111 15.430 0.873 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -2.795 11.932 0.887 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -4.208 11.603 1.895 1.00 0.00 H new ATOM 187 N ARG A 13 -3.430 13.582 -4.100 1.00 0.00 N ATOM 188 CA ARG A 13 -3.930 13.684 -5.461 1.00 0.00 C ATOM 189 C ARG A 13 -4.516 12.350 -5.914 1.00 0.00 C ATOM 190 O ARG A 13 -5.709 12.257 -6.200 1.00 0.00 O ATOM 191 CB ARG A 13 -2.806 14.118 -6.402 1.00 0.00 C ATOM 192 CG ARG A 13 -3.228 14.219 -7.857 1.00 0.00 C ATOM 193 CD ARG A 13 -2.082 14.701 -8.725 1.00 0.00 C ATOM 194 NE ARG A 13 -2.448 14.771 -10.138 1.00 0.00 N ATOM 195 CZ ARG A 13 -1.599 15.118 -11.104 1.00 0.00 C ATOM 196 NH1 ARG A 13 -0.344 15.438 -10.808 1.00 0.00 N ATOM 197 NH2 ARG A 13 -2.004 15.139 -12.367 1.00 0.00 N ATOM 0 H ARG A 13 -2.428 13.749 -4.007 1.00 0.00 H new ATOM 0 HA ARG A 13 -4.720 14.435 -5.488 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -2.426 15.086 -6.076 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -1.983 13.408 -6.321 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -3.570 13.245 -8.208 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -4.071 14.905 -7.948 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -1.762 15.686 -8.386 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -1.231 14.030 -8.605 1.00 0.00 H new ATOM 0 HE ARG A 13 -3.407 14.541 -10.399 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -0.028 15.418 -9.838 1.00 0.00 H new ATOM 0 HH12 ARG A 13 0.303 15.703 -11.550 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -2.966 14.889 -12.598 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -1.354 15.405 -13.107 1.00 0.00 H new ATOM 211 N TYR A 14 -3.678 11.314 -5.933 1.00 0.00 N ATOM 212 CA TYR A 14 -4.093 9.992 -6.403 1.00 0.00 C ATOM 213 C TYR A 14 -5.237 9.436 -5.568 1.00 0.00 C ATOM 214 O TYR A 14 -6.151 8.802 -6.094 1.00 0.00 O ATOM 215 CB TYR A 14 -2.921 9.008 -6.367 1.00 0.00 C ATOM 216 CG TYR A 14 -1.749 9.444 -7.215 1.00 0.00 C ATOM 217 CD1 TYR A 14 -0.480 9.608 -6.672 1.00 0.00 C ATOM 218 CD2 TYR A 14 -1.921 9.702 -8.567 1.00 0.00 C ATOM 219 CE1 TYR A 14 0.582 10.018 -7.457 1.00 0.00 C ATOM 220 CE2 TYR A 14 -0.867 10.108 -9.356 1.00 0.00 C ATOM 221 CZ TYR A 14 0.382 10.266 -8.799 1.00 0.00 C ATOM 222 OH TYR A 14 1.432 10.683 -9.587 1.00 0.00 O ATOM 0 H TYR A 14 -2.706 11.365 -5.628 1.00 0.00 H new ATOM 0 HA TYR A 14 -4.435 10.112 -7.431 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -2.589 8.886 -5.336 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -3.265 8.032 -6.709 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -0.321 9.412 -5.622 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -2.899 9.582 -9.009 1.00 0.00 H new ATOM 0 HE1 TYR A 14 1.562 10.143 -7.022 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -1.020 10.302 -10.407 1.00 0.00 H new ATOM 0 HH TYR A 14 1.120 10.811 -10.507 1.00 0.00 H new ATOM 232 N ARG A 15 -5.187 9.695 -4.270 1.00 0.00 N ATOM 233 CA ARG A 15 -6.181 9.175 -3.347 1.00 0.00 C ATOM 234 C ARG A 15 -7.566 9.743 -3.650 1.00 0.00 C ATOM 235 O ARG A 15 -8.556 9.015 -3.635 1.00 0.00 O ATOM 236 CB ARG A 15 -5.732 9.452 -1.903 1.00 0.00 C ATOM 237 CG ARG A 15 -6.783 10.059 -0.985 1.00 0.00 C ATOM 238 CD ARG A 15 -6.315 10.006 0.465 1.00 0.00 C ATOM 239 NE ARG A 15 -7.228 10.691 1.377 1.00 0.00 N ATOM 240 CZ ARG A 15 -7.271 10.460 2.688 1.00 0.00 C ATOM 241 NH1 ARG A 15 -6.503 9.520 3.232 1.00 0.00 N ATOM 242 NH2 ARG A 15 -8.093 11.165 3.455 1.00 0.00 N ATOM 0 H ARG A 15 -4.464 10.265 -3.832 1.00 0.00 H new ATOM 0 HA ARG A 15 -6.263 8.095 -3.472 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -5.391 8.515 -1.463 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -4.873 10.122 -1.932 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -6.975 11.092 -1.274 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -7.724 9.518 -1.090 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -6.214 8.965 0.772 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -5.326 10.458 0.540 1.00 0.00 H new ATOM 0 HE ARG A 15 -7.868 11.384 0.988 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -5.876 8.971 2.644 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -6.541 9.349 4.237 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -8.689 11.881 3.040 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -8.129 10.991 4.459 1.00 0.00 H new ATOM 256 N THR A 16 -7.628 11.030 -3.970 1.00 0.00 N ATOM 257 CA THR A 16 -8.892 11.664 -4.320 1.00 0.00 C ATOM 258 C THR A 16 -9.418 11.142 -5.659 1.00 0.00 C ATOM 259 O THR A 16 -10.613 10.860 -5.792 1.00 0.00 O ATOM 260 CB THR A 16 -8.757 13.192 -4.394 1.00 0.00 C ATOM 261 OG1 THR A 16 -8.039 13.678 -3.251 1.00 0.00 O ATOM 262 CG2 THR A 16 -10.129 13.845 -4.441 1.00 0.00 C ATOM 0 H THR A 16 -6.821 11.653 -3.994 1.00 0.00 H new ATOM 0 HA THR A 16 -9.600 11.411 -3.530 1.00 0.00 H new ATOM 0 HB THR A 16 -8.210 13.445 -5.302 1.00 0.00 H new ATOM 0 HG1 THR A 16 -7.076 13.567 -3.398 1.00 0.00 H new ATOM 0 HG21 THR A 16 -10.015 14.928 -4.493 1.00 0.00 H new ATOM 0 HG22 THR A 16 -10.669 13.494 -5.320 1.00 0.00 H new ATOM 0 HG23 THR A 16 -10.688 13.582 -3.543 1.00 0.00 H new ATOM 270 N GLU A 17 -8.527 11.006 -6.644 1.00 0.00 N ATOM 271 CA GLU A 17 -8.910 10.464 -7.951 1.00 0.00 C ATOM 272 C GLU A 17 -9.570 9.101 -7.778 1.00 0.00 C ATOM 273 O GLU A 17 -10.659 8.855 -8.303 1.00 0.00 O ATOM 274 CB GLU A 17 -7.702 10.310 -8.889 1.00 0.00 C ATOM 275 CG GLU A 17 -6.765 11.506 -8.917 1.00 0.00 C ATOM 276 CD GLU A 17 -7.458 12.772 -9.375 1.00 0.00 C ATOM 277 OE1 GLU A 17 -7.466 13.759 -8.613 1.00 0.00 O ATOM 278 OE2 GLU A 17 -8.013 12.781 -10.495 1.00 0.00 O ATOM 0 H GLU A 17 -7.543 11.261 -6.563 1.00 0.00 H new ATOM 0 HA GLU A 17 -9.607 11.173 -8.399 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -7.136 9.429 -8.588 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -8.065 10.126 -9.900 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -6.350 11.662 -7.921 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -5.928 11.293 -9.582 1.00 0.00 H new ATOM 285 N CYS A 18 -8.919 8.229 -7.022 1.00 0.00 N ATOM 286 CA CYS A 18 -9.433 6.888 -6.781 1.00 0.00 C ATOM 287 C CYS A 18 -10.741 6.928 -5.995 1.00 0.00 C ATOM 288 O CYS A 18 -11.649 6.143 -6.262 1.00 0.00 O ATOM 289 CB CYS A 18 -8.397 6.039 -6.048 1.00 0.00 C ATOM 290 SG CYS A 18 -6.883 5.737 -7.014 1.00 0.00 S ATOM 0 H CYS A 18 -8.030 8.427 -6.563 1.00 0.00 H new ATOM 0 HA CYS A 18 -9.637 6.431 -7.750 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -8.129 6.534 -5.115 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -8.846 5.082 -5.784 1.00 0.00 H new ATOM 295 N VAL A 19 -10.845 7.856 -5.048 1.00 0.00 N ATOM 296 CA VAL A 19 -12.061 8.009 -4.259 1.00 0.00 C ATOM 297 C VAL A 19 -13.247 8.349 -5.151 1.00 0.00 C ATOM 298 O VAL A 19 -14.258 7.644 -5.155 1.00 0.00 O ATOM 299 CB VAL A 19 -11.899 9.088 -3.161 1.00 0.00 C ATOM 300 CG1 VAL A 19 -13.246 9.638 -2.719 1.00 0.00 C ATOM 301 CG2 VAL A 19 -11.154 8.514 -1.971 1.00 0.00 C ATOM 0 H VAL A 19 -10.102 8.513 -4.809 1.00 0.00 H new ATOM 0 HA VAL A 19 -12.248 7.053 -3.769 1.00 0.00 H new ATOM 0 HB VAL A 19 -11.323 9.911 -3.583 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -13.095 10.393 -1.947 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -13.753 10.088 -3.573 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -13.856 8.828 -2.320 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -11.046 9.282 -1.205 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -11.713 7.671 -1.564 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -10.167 8.176 -2.288 1.00 0.00 H new ATOM 311 N SER A 20 -13.100 9.408 -5.930 1.00 0.00 N ATOM 312 CA SER A 20 -14.180 9.896 -6.769 1.00 0.00 C ATOM 313 C SER A 20 -14.485 8.925 -7.921 1.00 0.00 C ATOM 314 O SER A 20 -15.560 8.985 -8.519 1.00 0.00 O ATOM 315 CB SER A 20 -13.813 11.281 -7.306 1.00 0.00 C ATOM 316 OG SER A 20 -14.910 11.892 -7.969 1.00 0.00 O ATOM 0 H SER A 20 -12.238 9.948 -5.998 1.00 0.00 H new ATOM 0 HA SER A 20 -15.085 9.968 -6.166 1.00 0.00 H new ATOM 0 HB2 SER A 20 -13.485 11.916 -6.483 1.00 0.00 H new ATOM 0 HB3 SER A 20 -12.973 11.194 -7.995 1.00 0.00 H new ATOM 0 HG SER A 20 -14.642 12.775 -8.298 1.00 0.00 H new ATOM 322 N SER A 21 -13.549 8.030 -8.229 1.00 0.00 N ATOM 323 CA SER A 21 -13.751 7.061 -9.297 1.00 0.00 C ATOM 324 C SER A 21 -14.416 5.793 -8.768 1.00 0.00 C ATOM 325 O SER A 21 -15.393 5.314 -9.339 1.00 0.00 O ATOM 326 CB SER A 21 -12.415 6.713 -9.948 1.00 0.00 C ATOM 327 OG SER A 21 -11.801 7.863 -10.506 1.00 0.00 O ATOM 0 H SER A 21 -12.649 7.958 -7.755 1.00 0.00 H new ATOM 0 HA SER A 21 -14.410 7.509 -10.041 1.00 0.00 H new ATOM 0 HB2 SER A 21 -11.752 6.267 -9.207 1.00 0.00 H new ATOM 0 HB3 SER A 21 -12.571 5.967 -10.727 1.00 0.00 H new ATOM 0 HG SER A 21 -11.450 8.428 -9.786 1.00 0.00 H new ATOM 333 N LEU A 22 -13.900 5.262 -7.665 1.00 0.00 N ATOM 334 CA LEU A 22 -14.397 4.003 -7.120 1.00 0.00 C ATOM 335 C LEU A 22 -15.618 4.218 -6.230 1.00 0.00 C ATOM 336 O LEU A 22 -16.049 3.305 -5.527 1.00 0.00 O ATOM 337 CB LEU A 22 -13.290 3.299 -6.335 1.00 0.00 C ATOM 338 CG LEU A 22 -12.120 2.811 -7.182 1.00 0.00 C ATOM 339 CD1 LEU A 22 -10.973 2.372 -6.292 1.00 0.00 C ATOM 340 CD2 LEU A 22 -12.557 1.665 -8.070 1.00 0.00 C ATOM 0 H LEU A 22 -13.139 5.682 -7.131 1.00 0.00 H new ATOM 0 HA LEU A 22 -14.703 3.375 -7.956 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -12.911 3.983 -5.575 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -13.721 2.447 -5.810 1.00 0.00 H new ATOM 0 HG LEU A 22 -11.780 3.633 -7.812 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -10.145 2.026 -6.910 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -10.644 3.213 -5.682 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -11.305 1.561 -5.644 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -11.712 1.326 -8.669 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -12.916 0.842 -7.452 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -13.358 2.000 -8.729 1.00 0.00 H new ATOM 352 N ASN A 23 -16.164 5.436 -6.270 1.00 0.00 N ATOM 353 CA ASN A 23 -17.356 5.797 -5.493 1.00 0.00 C ATOM 354 C ASN A 23 -17.149 5.534 -4.005 1.00 0.00 C ATOM 355 O ASN A 23 -18.061 5.087 -3.311 1.00 0.00 O ATOM 356 CB ASN A 23 -18.580 5.027 -5.994 1.00 0.00 C ATOM 357 CG ASN A 23 -18.909 5.308 -7.448 1.00 0.00 C ATOM 358 OD1 ASN A 23 -18.686 6.534 -7.891 1.00 0.00 O flip ATOM 359 ND2 ASN A 23 -19.377 4.426 -8.167 1.00 0.00 N flip ATOM 0 H ASN A 23 -15.795 6.198 -6.839 1.00 0.00 H new ATOM 0 HA ASN A 23 -17.527 6.865 -5.631 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -18.406 3.958 -5.868 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -19.441 5.285 -5.377 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -19.535 3.491 -7.790 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -19.607 4.629 -9.140 1.00 0.00 H new ATOM 366 N ILE A 24 -15.941 5.805 -3.526 1.00 0.00 N ATOM 367 CA ILE A 24 -15.608 5.607 -2.127 1.00 0.00 C ATOM 368 C ILE A 24 -16.318 6.644 -1.261 1.00 0.00 C ATOM 369 O ILE A 24 -16.139 7.847 -1.452 1.00 0.00 O ATOM 370 CB ILE A 24 -14.086 5.712 -1.893 1.00 0.00 C ATOM 371 CG1 ILE A 24 -13.319 4.852 -2.909 1.00 0.00 C ATOM 372 CG2 ILE A 24 -13.744 5.293 -0.467 1.00 0.00 C ATOM 373 CD1 ILE A 24 -13.610 3.368 -2.810 1.00 0.00 C ATOM 0 H ILE A 24 -15.173 6.165 -4.093 1.00 0.00 H new ATOM 0 HA ILE A 24 -15.938 4.606 -1.850 1.00 0.00 H new ATOM 0 HB ILE A 24 -13.784 6.750 -2.033 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -13.564 5.193 -3.915 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -12.250 5.012 -2.770 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -12.668 5.371 -0.313 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -14.260 5.946 0.238 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -14.060 4.262 -0.305 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -13.029 2.832 -3.561 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -13.338 3.009 -1.817 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -14.672 3.193 -2.980 1.00 0.00 H new ATOM 385 N PRO A 25 -17.153 6.184 -0.315 1.00 0.00 N ATOM 386 CA PRO A 25 -17.862 7.068 0.611 1.00 0.00 C ATOM 387 C PRO A 25 -16.904 7.913 1.439 1.00 0.00 C ATOM 388 O PRO A 25 -15.856 7.437 1.894 1.00 0.00 O ATOM 389 CB PRO A 25 -18.644 6.115 1.517 1.00 0.00 C ATOM 390 CG PRO A 25 -18.687 4.815 0.797 1.00 0.00 C ATOM 391 CD PRO A 25 -17.471 4.768 -0.088 1.00 0.00 C ATOM 0 HA PRO A 25 -18.498 7.777 0.080 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -18.157 6.009 2.486 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -19.650 6.491 1.705 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -18.685 3.983 1.501 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -19.599 4.730 0.206 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -16.645 4.244 0.393 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -17.676 4.248 -1.024 1.00 0.00 H new ATOM 399 N ALA A 26 -17.291 9.171 1.630 1.00 0.00 N ATOM 400 CA ALA A 26 -16.489 10.148 2.357 1.00 0.00 C ATOM 401 C ALA A 26 -16.143 9.658 3.756 1.00 0.00 C ATOM 402 O ALA A 26 -15.090 9.999 4.294 1.00 0.00 O ATOM 403 CB ALA A 26 -17.238 11.464 2.440 1.00 0.00 C ATOM 0 H ALA A 26 -18.175 9.543 1.282 1.00 0.00 H new ATOM 0 HA ALA A 26 -15.555 10.290 1.813 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -16.636 12.192 2.984 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -17.434 11.835 1.434 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -18.183 11.313 2.962 1.00 0.00 H new ATOM 409 N ASP A 27 -17.044 8.871 4.337 1.00 0.00 N ATOM 410 CA ASP A 27 -16.819 8.265 5.651 1.00 0.00 C ATOM 411 C ASP A 27 -15.500 7.505 5.689 1.00 0.00 C ATOM 412 O ASP A 27 -14.686 7.712 6.591 1.00 0.00 O ATOM 413 CB ASP A 27 -17.964 7.319 6.026 1.00 0.00 C ATOM 414 CG ASP A 27 -19.176 8.052 6.559 1.00 0.00 C ATOM 415 OD1 ASP A 27 -20.138 8.269 5.789 1.00 0.00 O ATOM 416 OD2 ASP A 27 -19.180 8.403 7.757 1.00 0.00 O ATOM 0 H ASP A 27 -17.943 8.635 3.917 1.00 0.00 H new ATOM 0 HA ASP A 27 -16.779 9.078 6.376 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -18.252 6.738 5.150 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -17.614 6.611 6.777 1.00 0.00 H new ATOM 421 N TYR A 28 -15.293 6.628 4.709 1.00 0.00 N ATOM 422 CA TYR A 28 -14.049 5.883 4.602 1.00 0.00 C ATOM 423 C TYR A 28 -12.861 6.821 4.436 1.00 0.00 C ATOM 424 O TYR A 28 -11.809 6.607 5.030 1.00 0.00 O ATOM 425 CB TYR A 28 -14.108 4.904 3.426 1.00 0.00 C ATOM 426 CG TYR A 28 -14.790 3.590 3.751 1.00 0.00 C ATOM 427 CD1 TYR A 28 -14.069 2.532 4.288 1.00 0.00 C ATOM 428 CD2 TYR A 28 -16.145 3.401 3.510 1.00 0.00 C ATOM 429 CE1 TYR A 28 -14.678 1.326 4.576 1.00 0.00 C ATOM 430 CE2 TYR A 28 -16.760 2.198 3.799 1.00 0.00 C ATOM 431 CZ TYR A 28 -16.022 1.163 4.329 1.00 0.00 C ATOM 432 OH TYR A 28 -16.628 -0.039 4.611 1.00 0.00 O ATOM 0 H TYR A 28 -15.974 6.419 3.979 1.00 0.00 H new ATOM 0 HA TYR A 28 -13.918 5.320 5.526 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -14.633 5.379 2.597 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -13.093 4.700 3.085 1.00 0.00 H new ATOM 0 HD1 TYR A 28 -13.014 2.654 4.484 1.00 0.00 H new ATOM 0 HD2 TYR A 28 -16.727 4.208 3.090 1.00 0.00 H new ATOM 0 HE1 TYR A 28 -14.101 0.514 4.994 1.00 0.00 H new ATOM 0 HE2 TYR A 28 -17.816 2.070 3.610 1.00 0.00 H new ATOM 0 HH TYR A 28 -17.579 0.012 4.380 1.00 0.00 H new ATOM 442 N VAL A 29 -13.048 7.869 3.640 1.00 0.00 N ATOM 443 CA VAL A 29 -11.986 8.826 3.348 1.00 0.00 C ATOM 444 C VAL A 29 -11.441 9.465 4.626 1.00 0.00 C ATOM 445 O VAL A 29 -10.225 9.554 4.816 1.00 0.00 O ATOM 446 CB VAL A 29 -12.481 9.921 2.387 1.00 0.00 C ATOM 447 CG1 VAL A 29 -11.365 10.894 2.056 1.00 0.00 C ATOM 448 CG2 VAL A 29 -13.032 9.291 1.123 1.00 0.00 C ATOM 0 H VAL A 29 -13.935 8.078 3.181 1.00 0.00 H new ATOM 0 HA VAL A 29 -11.178 8.274 2.868 1.00 0.00 H new ATOM 0 HB VAL A 29 -13.278 10.479 2.878 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -11.739 11.659 1.375 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -11.010 11.366 2.972 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -10.543 10.357 1.582 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -13.380 10.073 0.448 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -12.249 8.712 0.634 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -13.864 8.634 1.377 1.00 0.00 H new ATOM 458 N GLU A 30 -12.343 9.891 5.511 1.00 0.00 N ATOM 459 CA GLU A 30 -11.938 10.487 6.784 1.00 0.00 C ATOM 460 C GLU A 30 -11.138 9.484 7.607 1.00 0.00 C ATOM 461 O GLU A 30 -10.173 9.844 8.281 1.00 0.00 O ATOM 462 CB GLU A 30 -13.148 10.943 7.592 1.00 0.00 C ATOM 463 CG GLU A 30 -14.238 11.569 6.754 1.00 0.00 C ATOM 464 CD GLU A 30 -15.347 12.153 7.597 1.00 0.00 C ATOM 465 OE1 GLU A 30 -15.537 13.388 7.562 1.00 0.00 O ATOM 466 OE2 GLU A 30 -16.021 11.383 8.313 1.00 0.00 O ATOM 0 H GLU A 30 -13.352 9.835 5.371 1.00 0.00 H new ATOM 0 HA GLU A 30 -11.320 11.356 6.558 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -13.560 10.087 8.127 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -12.822 11.662 8.344 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -13.808 12.353 6.130 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -14.653 10.818 6.082 1.00 0.00 H new ATOM 473 N LYS A 31 -11.543 8.221 7.529 1.00 0.00 N ATOM 474 CA LYS A 31 -10.871 7.151 8.258 1.00 0.00 C ATOM 475 C LYS A 31 -9.444 6.973 7.762 1.00 0.00 C ATOM 476 O LYS A 31 -8.521 6.824 8.557 1.00 0.00 O ATOM 477 CB LYS A 31 -11.627 5.831 8.125 1.00 0.00 C ATOM 478 CG LYS A 31 -13.034 5.894 8.685 1.00 0.00 C ATOM 479 CD LYS A 31 -13.676 4.517 8.754 1.00 0.00 C ATOM 480 CE LYS A 31 -15.120 4.612 9.235 1.00 0.00 C ATOM 481 NZ LYS A 31 -15.740 3.276 9.415 1.00 0.00 N ATOM 0 H LYS A 31 -12.336 7.912 6.966 1.00 0.00 H new ATOM 0 HA LYS A 31 -10.851 7.437 9.310 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -11.673 5.550 7.073 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -11.072 5.047 8.640 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -13.009 6.334 9.682 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -13.644 6.549 8.063 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -13.646 4.048 7.770 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -13.105 3.879 9.429 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -15.152 5.155 10.179 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -15.703 5.188 8.516 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -16.721 3.390 9.743 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -15.735 2.766 8.509 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -15.200 2.735 10.120 1.00 0.00 H new ATOM 495 N PHE A 32 -9.272 7.004 6.447 1.00 0.00 N ATOM 496 CA PHE A 32 -7.960 6.841 5.833 1.00 0.00 C ATOM 497 C PHE A 32 -6.999 7.932 6.300 1.00 0.00 C ATOM 498 O PHE A 32 -5.801 7.698 6.439 1.00 0.00 O ATOM 499 CB PHE A 32 -8.071 6.863 4.308 1.00 0.00 C ATOM 500 CG PHE A 32 -9.029 5.851 3.742 1.00 0.00 C ATOM 501 CD1 PHE A 32 -9.748 6.129 2.592 1.00 0.00 C ATOM 502 CD2 PHE A 32 -9.211 4.623 4.357 1.00 0.00 C ATOM 503 CE1 PHE A 32 -10.627 5.201 2.064 1.00 0.00 C ATOM 504 CE2 PHE A 32 -10.088 3.695 3.837 1.00 0.00 C ATOM 505 CZ PHE A 32 -10.797 3.982 2.689 1.00 0.00 C ATOM 0 H PHE A 32 -10.031 7.142 5.780 1.00 0.00 H new ATOM 0 HA PHE A 32 -7.565 5.874 6.144 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -8.384 7.858 3.993 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -7.083 6.689 3.881 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -9.621 7.083 2.101 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -8.659 4.390 5.255 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -11.179 5.430 1.164 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -10.220 2.743 4.329 1.00 0.00 H new ATOM 0 HZ PHE A 32 -11.483 3.255 2.280 1.00 0.00 H new ATOM 515 N LYS A 33 -7.535 9.121 6.559 1.00 0.00 N ATOM 516 CA LYS A 33 -6.734 10.231 7.065 1.00 0.00 C ATOM 517 C LYS A 33 -6.235 9.925 8.476 1.00 0.00 C ATOM 518 O LYS A 33 -5.242 10.485 8.937 1.00 0.00 O ATOM 519 CB LYS A 33 -7.561 11.513 7.078 1.00 0.00 C ATOM 520 CG LYS A 33 -6.708 12.767 7.111 1.00 0.00 C ATOM 521 CD LYS A 33 -7.564 14.019 7.063 1.00 0.00 C ATOM 522 CE LYS A 33 -6.715 15.276 7.014 1.00 0.00 C ATOM 523 NZ LYS A 33 -7.540 16.488 6.773 1.00 0.00 N ATOM 0 H LYS A 33 -8.522 9.341 6.427 1.00 0.00 H new ATOM 0 HA LYS A 33 -5.875 10.367 6.407 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -8.199 11.537 6.194 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -8.220 11.505 7.946 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -6.102 12.773 8.017 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -6.019 12.763 6.266 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -8.213 13.983 6.188 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -8.212 14.051 7.939 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -6.173 15.386 7.953 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -5.969 15.181 6.225 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -6.925 17.327 6.746 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -8.038 16.394 5.865 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -8.235 16.593 7.539 1.00 0.00 H new ATOM 537 N LYS A 34 -6.936 9.028 9.151 1.00 0.00 N ATOM 538 CA LYS A 34 -6.563 8.605 10.492 1.00 0.00 C ATOM 539 C LYS A 34 -5.853 7.259 10.434 1.00 0.00 C ATOM 540 O LYS A 34 -5.720 6.567 11.444 1.00 0.00 O ATOM 541 CB LYS A 34 -7.805 8.512 11.385 1.00 0.00 C ATOM 542 CG LYS A 34 -8.473 9.851 11.645 1.00 0.00 C ATOM 543 CD LYS A 34 -9.724 9.688 12.490 1.00 0.00 C ATOM 544 CE LYS A 34 -10.385 11.026 12.776 1.00 0.00 C ATOM 545 NZ LYS A 34 -9.503 11.925 13.567 1.00 0.00 N ATOM 0 H LYS A 34 -7.775 8.575 8.788 1.00 0.00 H new ATOM 0 HA LYS A 34 -5.884 9.344 10.918 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -8.527 7.841 10.920 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -7.523 8.066 12.339 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -7.774 10.517 12.151 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -8.731 10.322 10.696 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -10.429 9.036 11.975 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -9.467 9.200 13.430 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -10.646 11.510 11.835 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -11.316 10.862 13.319 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -10.058 12.727 13.927 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -9.097 11.398 14.367 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -8.736 12.280 12.961 1.00 0.00 H new ATOM 559 N TRP A 35 -5.393 6.912 9.236 1.00 0.00 N ATOM 560 CA TRP A 35 -4.727 5.639 8.974 1.00 0.00 C ATOM 561 C TRP A 35 -5.579 4.450 9.420 1.00 0.00 C ATOM 562 O TRP A 35 -5.069 3.463 9.957 1.00 0.00 O ATOM 563 CB TRP A 35 -3.354 5.611 9.644 1.00 0.00 C ATOM 564 CG TRP A 35 -2.415 6.637 9.087 1.00 0.00 C ATOM 565 CD1 TRP A 35 -2.183 7.886 9.583 1.00 0.00 C ATOM 566 CD2 TRP A 35 -1.593 6.512 7.918 1.00 0.00 C ATOM 567 NE1 TRP A 35 -1.262 8.540 8.805 1.00 0.00 N ATOM 568 CE2 TRP A 35 -0.885 7.719 7.776 1.00 0.00 C ATOM 569 CE3 TRP A 35 -1.384 5.498 6.982 1.00 0.00 C ATOM 570 CZ2 TRP A 35 0.017 7.940 6.739 1.00 0.00 C ATOM 571 CZ3 TRP A 35 -0.489 5.715 5.953 1.00 0.00 C ATOM 572 CH2 TRP A 35 0.203 6.926 5.837 1.00 0.00 C ATOM 0 H TRP A 35 -5.472 7.510 8.413 1.00 0.00 H new ATOM 0 HA TRP A 35 -4.591 5.549 7.896 1.00 0.00 H new ATOM 0 HB2 TRP A 35 -3.474 5.778 10.714 1.00 0.00 H new ATOM 0 HB3 TRP A 35 -2.916 4.620 9.523 1.00 0.00 H new ATOM 0 HD1 TRP A 35 -2.656 8.300 10.461 1.00 0.00 H new ATOM 0 HE1 TRP A 35 -0.914 9.485 8.967 1.00 0.00 H new ATOM 0 HE3 TRP A 35 -1.913 4.560 7.061 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 0.550 8.875 6.649 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 -0.320 4.936 5.224 1.00 0.00 H new ATOM 0 HH2 TRP A 35 0.897 7.064 5.021 1.00 0.00 H new ATOM 583 N GLU A 36 -6.875 4.555 9.178 1.00 0.00 N ATOM 584 CA GLU A 36 -7.811 3.491 9.490 1.00 0.00 C ATOM 585 C GLU A 36 -8.382 2.911 8.213 1.00 0.00 C ATOM 586 O GLU A 36 -9.159 3.560 7.515 1.00 0.00 O ATOM 587 CB GLU A 36 -8.948 4.000 10.373 1.00 0.00 C ATOM 588 CG GLU A 36 -8.519 4.376 11.775 1.00 0.00 C ATOM 589 CD GLU A 36 -9.691 4.745 12.657 1.00 0.00 C ATOM 590 OE1 GLU A 36 -10.471 3.835 13.023 1.00 0.00 O ATOM 591 OE2 GLU A 36 -9.837 5.938 13.000 1.00 0.00 O ATOM 0 H GLU A 36 -7.306 5.380 8.760 1.00 0.00 H new ATOM 0 HA GLU A 36 -7.271 2.716 10.034 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -9.402 4.870 9.898 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -9.719 3.232 10.434 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -7.979 3.542 12.223 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -7.825 5.215 11.727 1.00 0.00 H new ATOM 598 N PHE A 37 -7.984 1.693 7.907 1.00 0.00 N ATOM 599 CA PHE A 37 -8.449 1.019 6.709 1.00 0.00 C ATOM 600 C PHE A 37 -9.266 -0.211 7.083 1.00 0.00 C ATOM 601 O PHE A 37 -8.710 -1.295 7.269 1.00 0.00 O ATOM 602 CB PHE A 37 -7.254 0.615 5.832 1.00 0.00 C ATOM 603 CG PHE A 37 -6.317 1.755 5.538 1.00 0.00 C ATOM 604 CD1 PHE A 37 -6.415 2.472 4.355 1.00 0.00 C ATOM 605 CD2 PHE A 37 -5.342 2.117 6.456 1.00 0.00 C ATOM 606 CE1 PHE A 37 -5.561 3.528 4.096 1.00 0.00 C ATOM 607 CE2 PHE A 37 -4.486 3.168 6.201 1.00 0.00 C ATOM 608 CZ PHE A 37 -4.595 3.875 5.020 1.00 0.00 C ATOM 0 H PHE A 37 -7.336 1.146 8.474 1.00 0.00 H new ATOM 0 HA PHE A 37 -9.083 1.703 6.145 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -6.701 -0.182 6.329 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -7.624 0.207 4.892 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -7.167 2.202 3.628 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -5.252 1.569 7.382 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -5.649 4.081 3.172 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -3.731 3.438 6.925 1.00 0.00 H new ATOM 0 HZ PHE A 37 -3.926 4.698 4.819 1.00 0.00 H new ATOM 618 N PRO A 38 -10.596 -0.055 7.232 1.00 0.00 N ATOM 619 CA PRO A 38 -11.488 -1.178 7.529 1.00 0.00 C ATOM 620 C PRO A 38 -11.348 -2.304 6.517 1.00 0.00 C ATOM 621 O PRO A 38 -11.198 -2.063 5.316 1.00 0.00 O ATOM 622 CB PRO A 38 -12.882 -0.560 7.447 1.00 0.00 C ATOM 623 CG PRO A 38 -12.668 0.879 7.748 1.00 0.00 C ATOM 624 CD PRO A 38 -11.338 1.219 7.131 1.00 0.00 C ATOM 0 HA PRO A 38 -11.266 -1.630 8.496 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -13.320 -0.698 6.458 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -13.563 -1.019 8.164 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -13.465 1.492 7.327 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -12.661 1.059 8.823 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -11.443 1.545 6.096 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -10.836 2.023 7.669 1.00 0.00 H new ATOM 632 N GLU A 39 -11.384 -3.528 7.014 1.00 0.00 N ATOM 633 CA GLU A 39 -11.257 -4.702 6.172 1.00 0.00 C ATOM 634 C GLU A 39 -12.536 -4.914 5.368 1.00 0.00 C ATOM 635 O GLU A 39 -13.439 -5.652 5.773 1.00 0.00 O ATOM 636 CB GLU A 39 -10.920 -5.924 7.025 1.00 0.00 C ATOM 637 CG GLU A 39 -10.644 -7.183 6.221 1.00 0.00 C ATOM 638 CD GLU A 39 -10.028 -8.280 7.060 1.00 0.00 C ATOM 639 OE1 GLU A 39 -8.785 -8.316 7.179 1.00 0.00 O ATOM 640 OE2 GLU A 39 -10.782 -9.114 7.605 1.00 0.00 O ATOM 0 H GLU A 39 -11.501 -3.734 8.006 1.00 0.00 H new ATOM 0 HA GLU A 39 -10.441 -4.553 5.465 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -10.047 -5.697 7.637 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -11.747 -6.116 7.709 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -11.575 -7.543 5.784 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -9.976 -6.943 5.394 1.00 0.00 H new ATOM 647 N ASP A 40 -12.599 -4.241 4.231 1.00 0.00 N ATOM 648 CA ASP A 40 -13.768 -4.277 3.360 1.00 0.00 C ATOM 649 C ASP A 40 -13.339 -4.066 1.918 1.00 0.00 C ATOM 650 O ASP A 40 -12.402 -3.317 1.641 1.00 0.00 O ATOM 651 CB ASP A 40 -14.785 -3.197 3.759 1.00 0.00 C ATOM 652 CG ASP A 40 -16.007 -3.202 2.861 1.00 0.00 C ATOM 653 OD1 ASP A 40 -16.004 -2.493 1.835 1.00 0.00 O ATOM 654 OD2 ASP A 40 -16.974 -3.929 3.175 1.00 0.00 O ATOM 0 H ASP A 40 -11.842 -3.653 3.883 1.00 0.00 H new ATOM 0 HA ASP A 40 -14.243 -5.253 3.464 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -15.095 -3.356 4.792 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -14.308 -2.218 3.716 1.00 0.00 H new ATOM 659 N ASP A 41 -14.047 -4.744 1.018 1.00 0.00 N ATOM 660 CA ASP A 41 -13.746 -4.738 -0.418 1.00 0.00 C ATOM 661 C ASP A 41 -13.636 -3.321 -0.985 1.00 0.00 C ATOM 662 O ASP A 41 -12.818 -3.065 -1.869 1.00 0.00 O ATOM 663 CB ASP A 41 -14.823 -5.519 -1.176 1.00 0.00 C ATOM 664 CG ASP A 41 -14.597 -5.543 -2.673 1.00 0.00 C ATOM 665 OD1 ASP A 41 -13.618 -6.175 -3.126 1.00 0.00 O ATOM 666 OD2 ASP A 41 -15.422 -4.962 -3.408 1.00 0.00 O ATOM 0 H ASP A 41 -14.853 -5.319 1.263 1.00 0.00 H new ATOM 0 HA ASP A 41 -12.775 -5.216 -0.549 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -14.852 -6.543 -0.803 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -15.797 -5.077 -0.969 1.00 0.00 H new ATOM 671 N THR A 42 -14.453 -2.406 -0.470 1.00 0.00 N ATOM 672 CA THR A 42 -14.426 -1.015 -0.901 1.00 0.00 C ATOM 673 C THR A 42 -13.049 -0.396 -0.648 1.00 0.00 C ATOM 674 O THR A 42 -12.431 0.174 -1.552 1.00 0.00 O ATOM 675 CB THR A 42 -15.498 -0.207 -0.153 1.00 0.00 C ATOM 676 OG1 THR A 42 -16.734 -0.932 -0.157 1.00 0.00 O ATOM 677 CG2 THR A 42 -15.700 1.152 -0.798 1.00 0.00 C ATOM 0 H THR A 42 -15.146 -2.607 0.251 1.00 0.00 H new ATOM 0 HA THR A 42 -14.633 -0.987 -1.971 1.00 0.00 H new ATOM 0 HB THR A 42 -15.164 -0.054 0.873 1.00 0.00 H new ATOM 0 HG1 THR A 42 -16.771 -1.519 0.627 1.00 0.00 H new ATOM 0 HG21 THR A 42 -16.463 1.705 -0.251 1.00 0.00 H new ATOM 0 HG22 THR A 42 -14.763 1.708 -0.775 1.00 0.00 H new ATOM 0 HG23 THR A 42 -16.019 1.020 -1.832 1.00 0.00 H new ATOM 685 N THR A 43 -12.572 -0.537 0.583 1.00 0.00 N ATOM 686 CA THR A 43 -11.256 -0.052 0.973 1.00 0.00 C ATOM 687 C THR A 43 -10.159 -0.749 0.168 1.00 0.00 C ATOM 688 O THR A 43 -9.130 -0.154 -0.158 1.00 0.00 O ATOM 689 CB THR A 43 -11.016 -0.313 2.471 1.00 0.00 C ATOM 690 OG1 THR A 43 -12.132 0.163 3.234 1.00 0.00 O ATOM 691 CG2 THR A 43 -9.742 0.368 2.952 1.00 0.00 C ATOM 0 H THR A 43 -13.087 -0.991 1.338 1.00 0.00 H new ATOM 0 HA THR A 43 -11.222 1.019 0.773 1.00 0.00 H new ATOM 0 HB THR A 43 -10.905 -1.388 2.612 1.00 0.00 H new ATOM 0 HG1 THR A 43 -12.231 1.129 3.101 1.00 0.00 H new ATOM 0 HG21 THR A 43 -9.600 0.165 4.013 1.00 0.00 H new ATOM 0 HG22 THR A 43 -8.890 -0.017 2.392 1.00 0.00 H new ATOM 0 HG23 THR A 43 -9.823 1.444 2.796 1.00 0.00 H new ATOM 699 N MET A 44 -10.403 -2.007 -0.169 1.00 0.00 N ATOM 700 CA MET A 44 -9.405 -2.833 -0.831 1.00 0.00 C ATOM 701 C MET A 44 -9.160 -2.373 -2.263 1.00 0.00 C ATOM 702 O MET A 44 -8.014 -2.182 -2.671 1.00 0.00 O ATOM 703 CB MET A 44 -9.836 -4.297 -0.806 1.00 0.00 C ATOM 704 CG MET A 44 -10.041 -4.833 0.598 1.00 0.00 C ATOM 705 SD MET A 44 -10.607 -6.539 0.627 1.00 0.00 S ATOM 706 CE MET A 44 -10.776 -6.783 2.392 1.00 0.00 C ATOM 0 H MET A 44 -11.289 -2.480 0.007 1.00 0.00 H new ATOM 0 HA MET A 44 -8.466 -2.729 -0.287 1.00 0.00 H new ATOM 0 HB2 MET A 44 -10.763 -4.406 -1.369 1.00 0.00 H new ATOM 0 HB3 MET A 44 -9.082 -4.900 -1.312 1.00 0.00 H new ATOM 0 HG2 MET A 44 -9.104 -4.758 1.149 1.00 0.00 H new ATOM 0 HG3 MET A 44 -10.767 -4.207 1.117 1.00 0.00 H new ATOM 0 HE1 MET A 44 -10.541 -7.818 2.640 1.00 0.00 H new ATOM 0 HE2 MET A 44 -10.091 -6.119 2.918 1.00 0.00 H new ATOM 0 HE3 MET A 44 -11.800 -6.561 2.694 1.00 0.00 H new ATOM 716 N CYS A 45 -10.231 -2.189 -3.029 1.00 0.00 N ATOM 717 CA CYS A 45 -10.100 -1.702 -4.399 1.00 0.00 C ATOM 718 C CYS A 45 -9.535 -0.290 -4.405 1.00 0.00 C ATOM 719 O CYS A 45 -8.827 0.101 -5.334 1.00 0.00 O ATOM 720 CB CYS A 45 -11.441 -1.742 -5.140 1.00 0.00 C ATOM 721 SG CYS A 45 -12.073 -3.426 -5.444 1.00 0.00 S ATOM 0 H CYS A 45 -11.190 -2.367 -2.729 1.00 0.00 H new ATOM 0 HA CYS A 45 -9.410 -2.363 -4.923 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -12.180 -1.187 -4.562 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -11.332 -1.228 -6.095 1.00 0.00 H new ATOM 726 N TYR A 46 -9.836 0.465 -3.352 1.00 0.00 N ATOM 727 CA TYR A 46 -9.301 1.804 -3.197 1.00 0.00 C ATOM 728 C TYR A 46 -7.780 1.765 -3.120 1.00 0.00 C ATOM 729 O TYR A 46 -7.094 2.471 -3.860 1.00 0.00 O ATOM 730 CB TYR A 46 -9.889 2.460 -1.947 1.00 0.00 C ATOM 731 CG TYR A 46 -9.134 3.686 -1.495 1.00 0.00 C ATOM 732 CD1 TYR A 46 -9.119 4.841 -2.268 1.00 0.00 C ATOM 733 CD2 TYR A 46 -8.430 3.688 -0.299 1.00 0.00 C ATOM 734 CE1 TYR A 46 -8.428 5.961 -1.857 1.00 0.00 C ATOM 735 CE2 TYR A 46 -7.735 4.805 0.117 1.00 0.00 C ATOM 736 CZ TYR A 46 -7.738 5.937 -0.668 1.00 0.00 C ATOM 737 OH TYR A 46 -7.065 7.057 -0.259 1.00 0.00 O ATOM 0 H TYR A 46 -10.450 0.166 -2.594 1.00 0.00 H new ATOM 0 HA TYR A 46 -9.581 2.398 -4.067 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -10.925 2.734 -2.144 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -9.901 1.732 -1.136 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -9.657 4.861 -3.204 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -8.426 2.800 0.316 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -8.429 6.853 -2.466 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -7.193 4.792 1.051 1.00 0.00 H new ATOM 0 HH TYR A 46 -6.420 6.815 0.438 1.00 0.00 H new ATOM 747 N ILE A 47 -7.266 0.918 -2.234 1.00 0.00 N ATOM 748 CA ILE A 47 -5.830 0.758 -2.066 1.00 0.00 C ATOM 749 C ILE A 47 -5.177 0.312 -3.372 1.00 0.00 C ATOM 750 O ILE A 47 -4.085 0.764 -3.713 1.00 0.00 O ATOM 751 CB ILE A 47 -5.501 -0.254 -0.944 1.00 0.00 C ATOM 752 CG1 ILE A 47 -5.940 0.299 0.424 1.00 0.00 C ATOM 753 CG2 ILE A 47 -4.015 -0.604 -0.938 1.00 0.00 C ATOM 754 CD1 ILE A 47 -5.310 1.631 0.790 1.00 0.00 C ATOM 0 H ILE A 47 -7.828 0.330 -1.619 1.00 0.00 H new ATOM 0 HA ILE A 47 -5.427 1.730 -1.781 1.00 0.00 H new ATOM 0 HB ILE A 47 -6.057 -1.171 -1.139 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -7.024 0.410 0.427 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -5.692 -0.431 1.195 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -3.812 -1.317 -0.139 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -3.741 -1.045 -1.896 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -3.429 0.300 -0.774 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -5.673 1.949 1.768 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -4.226 1.524 0.822 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -5.579 2.378 0.043 1.00 0.00 H new ATOM 766 N LYS A 48 -5.865 -0.552 -4.112 1.00 0.00 N ATOM 767 CA LYS A 48 -5.343 -1.055 -5.372 1.00 0.00 C ATOM 768 C LYS A 48 -5.137 0.090 -6.359 1.00 0.00 C ATOM 769 O LYS A 48 -4.068 0.223 -6.951 1.00 0.00 O ATOM 770 CB LYS A 48 -6.293 -2.092 -5.973 1.00 0.00 C ATOM 771 CG LYS A 48 -5.715 -2.805 -7.189 1.00 0.00 C ATOM 772 CD LYS A 48 -6.675 -3.839 -7.756 1.00 0.00 C ATOM 773 CE LYS A 48 -7.941 -3.212 -8.322 1.00 0.00 C ATOM 774 NZ LYS A 48 -7.668 -2.378 -9.520 1.00 0.00 N ATOM 0 H LYS A 48 -6.784 -0.916 -3.859 1.00 0.00 H new ATOM 0 HA LYS A 48 -4.382 -1.531 -5.175 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -6.542 -2.831 -5.211 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -7.224 -1.601 -6.257 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -5.477 -2.072 -7.959 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -4.780 -3.292 -6.912 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -6.172 -4.405 -8.540 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -6.944 -4.548 -6.973 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -8.648 -3.999 -8.583 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -8.415 -2.599 -7.555 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -8.568 -2.083 -9.950 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -7.125 -1.536 -9.241 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -7.119 -2.930 -10.210 1.00 0.00 H new ATOM 788 N CYS A 49 -6.170 0.911 -6.523 1.00 0.00 N ATOM 789 CA CYS A 49 -6.111 2.050 -7.434 1.00 0.00 C ATOM 790 C CYS A 49 -4.990 3.016 -7.048 1.00 0.00 C ATOM 791 O CYS A 49 -4.194 3.420 -7.895 1.00 0.00 O ATOM 792 CB CYS A 49 -7.460 2.775 -7.462 1.00 0.00 C ATOM 793 SG CYS A 49 -7.450 4.349 -8.386 1.00 0.00 S ATOM 0 H CYS A 49 -7.060 0.809 -6.036 1.00 0.00 H new ATOM 0 HA CYS A 49 -5.892 1.672 -8.433 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -8.205 2.113 -7.903 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -7.775 2.971 -6.437 1.00 0.00 H new ATOM 798 N VAL A 50 -4.918 3.360 -5.762 1.00 0.00 N ATOM 799 CA VAL A 50 -3.935 4.312 -5.274 1.00 0.00 C ATOM 800 C VAL A 50 -2.517 3.799 -5.489 1.00 0.00 C ATOM 801 O VAL A 50 -1.673 4.489 -6.061 1.00 0.00 O ATOM 802 CB VAL A 50 -4.155 4.614 -3.778 1.00 0.00 C ATOM 803 CG1 VAL A 50 -3.043 5.480 -3.223 1.00 0.00 C ATOM 804 CG2 VAL A 50 -5.492 5.292 -3.576 1.00 0.00 C ATOM 0 H VAL A 50 -5.535 2.988 -5.040 1.00 0.00 H new ATOM 0 HA VAL A 50 -4.064 5.232 -5.844 1.00 0.00 H new ATOM 0 HB VAL A 50 -4.147 3.667 -3.238 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -3.227 5.675 -2.167 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -2.089 4.964 -3.336 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -3.012 6.424 -3.766 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -5.638 5.501 -2.516 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -5.514 6.227 -4.137 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -6.289 4.638 -3.930 1.00 0.00 H new ATOM 814 N PHE A 51 -2.278 2.568 -5.060 1.00 0.00 N ATOM 815 CA PHE A 51 -0.959 1.962 -5.147 1.00 0.00 C ATOM 816 C PHE A 51 -0.543 1.773 -6.601 1.00 0.00 C ATOM 817 O PHE A 51 0.642 1.749 -6.929 1.00 0.00 O ATOM 818 CB PHE A 51 -0.958 0.625 -4.405 1.00 0.00 C ATOM 819 CG PHE A 51 -0.638 0.744 -2.943 1.00 0.00 C ATOM 820 CD1 PHE A 51 -1.075 1.836 -2.210 1.00 0.00 C ATOM 821 CD2 PHE A 51 0.088 -0.244 -2.300 1.00 0.00 C ATOM 822 CE1 PHE A 51 -0.792 1.942 -0.864 1.00 0.00 C ATOM 823 CE2 PHE A 51 0.376 -0.141 -0.953 1.00 0.00 C ATOM 824 CZ PHE A 51 -0.065 0.952 -0.234 1.00 0.00 C ATOM 0 H PHE A 51 -2.988 1.965 -4.645 1.00 0.00 H new ATOM 0 HA PHE A 51 -0.234 2.628 -4.679 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -1.936 0.157 -4.516 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -0.232 -0.039 -4.873 1.00 0.00 H new ATOM 0 HD1 PHE A 51 -1.644 2.613 -2.698 1.00 0.00 H new ATOM 0 HD2 PHE A 51 0.432 -1.103 -2.857 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -1.139 2.798 -0.304 1.00 0.00 H new ATOM 0 HE2 PHE A 51 0.946 -0.916 -0.462 1.00 0.00 H new ATOM 0 HZ PHE A 51 0.158 1.032 0.820 1.00 0.00 H new ATOM 834 N ASN A 52 -1.535 1.658 -7.469 1.00 0.00 N ATOM 835 CA ASN A 52 -1.294 1.467 -8.891 1.00 0.00 C ATOM 836 C ASN A 52 -0.929 2.793 -9.548 1.00 0.00 C ATOM 837 O ASN A 52 -0.037 2.857 -10.394 1.00 0.00 O ATOM 838 CB ASN A 52 -2.535 0.866 -9.557 1.00 0.00 C ATOM 839 CG ASN A 52 -2.324 0.530 -11.023 1.00 0.00 C ATOM 840 OD1 ASN A 52 -1.123 0.100 -11.377 1.00 0.00 O flip ATOM 841 ND2 ASN A 52 -3.250 0.623 -11.828 1.00 0.00 N flip ATOM 0 H ASN A 52 -2.521 1.694 -7.212 1.00 0.00 H new ATOM 0 HA ASN A 52 -0.459 0.777 -9.017 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -2.825 -0.038 -9.022 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -3.364 1.569 -9.468 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -4.162 0.958 -11.519 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -3.105 0.365 -12.804 1.00 0.00 H new ATOM 848 N LYS A 53 -1.603 3.855 -9.130 1.00 0.00 N ATOM 849 CA LYS A 53 -1.363 5.183 -9.681 1.00 0.00 C ATOM 850 C LYS A 53 -0.065 5.776 -9.144 1.00 0.00 C ATOM 851 O LYS A 53 0.500 6.697 -9.731 1.00 0.00 O ATOM 852 CB LYS A 53 -2.540 6.107 -9.366 1.00 0.00 C ATOM 853 CG LYS A 53 -3.722 5.942 -10.314 1.00 0.00 C ATOM 854 CD LYS A 53 -3.373 6.360 -11.738 1.00 0.00 C ATOM 855 CE LYS A 53 -3.010 7.837 -11.822 1.00 0.00 C ATOM 856 NZ LYS A 53 -2.694 8.256 -13.214 1.00 0.00 N ATOM 0 H LYS A 53 -2.323 3.823 -8.408 1.00 0.00 H new ATOM 0 HA LYS A 53 -1.267 5.088 -10.763 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -2.875 5.918 -8.346 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -2.198 7.141 -9.403 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -4.047 4.902 -10.311 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -4.561 6.539 -9.956 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -2.538 5.760 -12.099 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -4.219 6.156 -12.394 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -3.838 8.436 -11.443 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -2.152 8.036 -11.180 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -2.453 9.268 -13.226 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -1.887 7.703 -13.568 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -3.521 8.090 -13.823 1.00 0.00 H new ATOM 870 N MET A 54 0.398 5.248 -8.023 1.00 0.00 N ATOM 871 CA MET A 54 1.665 5.671 -7.439 1.00 0.00 C ATOM 872 C MET A 54 2.823 4.841 -7.984 1.00 0.00 C ATOM 873 O MET A 54 3.962 4.972 -7.536 1.00 0.00 O ATOM 874 CB MET A 54 1.601 5.558 -5.920 1.00 0.00 C ATOM 875 CG MET A 54 0.737 6.625 -5.279 1.00 0.00 C ATOM 876 SD MET A 54 0.255 6.217 -3.591 1.00 0.00 S ATOM 877 CE MET A 54 1.814 6.363 -2.727 1.00 0.00 C ATOM 0 H MET A 54 -0.086 4.522 -7.495 1.00 0.00 H new ATOM 0 HA MET A 54 1.839 6.712 -7.712 1.00 0.00 H new ATOM 0 HB2 MET A 54 1.213 4.575 -5.651 1.00 0.00 H new ATOM 0 HB3 MET A 54 2.610 5.624 -5.514 1.00 0.00 H new ATOM 0 HG2 MET A 54 1.278 7.571 -5.278 1.00 0.00 H new ATOM 0 HG3 MET A 54 -0.159 6.771 -5.882 1.00 0.00 H new ATOM 0 HE1 MET A 54 1.642 6.296 -1.653 1.00 0.00 H new ATOM 0 HE2 MET A 54 2.480 5.558 -3.039 1.00 0.00 H new ATOM 0 HE3 MET A 54 2.272 7.324 -2.962 1.00 0.00 H new ATOM 887 N GLN A 55 2.505 3.987 -8.965 1.00 0.00 N ATOM 888 CA GLN A 55 3.480 3.101 -9.597 1.00 0.00 C ATOM 889 C GLN A 55 4.188 2.226 -8.567 1.00 0.00 C ATOM 890 O GLN A 55 5.405 2.040 -8.619 1.00 0.00 O ATOM 891 CB GLN A 55 4.486 3.913 -10.409 1.00 0.00 C ATOM 892 CG GLN A 55 3.880 4.499 -11.670 1.00 0.00 C ATOM 893 CD GLN A 55 4.824 5.426 -12.413 1.00 0.00 C ATOM 894 OE1 GLN A 55 5.688 6.070 -11.818 1.00 0.00 O ATOM 895 NE2 GLN A 55 4.652 5.512 -13.722 1.00 0.00 N ATOM 0 H GLN A 55 1.561 3.894 -9.341 1.00 0.00 H new ATOM 0 HA GLN A 55 2.944 2.436 -10.274 1.00 0.00 H new ATOM 0 HB2 GLN A 55 4.880 4.720 -9.791 1.00 0.00 H new ATOM 0 HB3 GLN A 55 5.329 3.276 -10.677 1.00 0.00 H new ATOM 0 HG2 GLN A 55 3.582 3.687 -12.333 1.00 0.00 H new ATOM 0 HG3 GLN A 55 2.974 5.046 -11.409 1.00 0.00 H new ATOM 0 HE21 GLN A 55 3.924 4.962 -14.178 1.00 0.00 H new ATOM 0 HE22 GLN A 55 5.247 6.129 -14.275 1.00 0.00 H new ATOM 904 N LEU A 56 3.412 1.677 -7.644 1.00 0.00 N ATOM 905 CA LEU A 56 3.961 0.905 -6.540 1.00 0.00 C ATOM 906 C LEU A 56 3.387 -0.511 -6.517 1.00 0.00 C ATOM 907 O LEU A 56 3.955 -1.418 -5.905 1.00 0.00 O ATOM 908 CB LEU A 56 3.681 1.637 -5.218 1.00 0.00 C ATOM 909 CG LEU A 56 4.837 2.500 -4.705 1.00 0.00 C ATOM 910 CD1 LEU A 56 4.432 3.252 -3.444 1.00 0.00 C ATOM 911 CD2 LEU A 56 6.066 1.652 -4.436 1.00 0.00 C ATOM 0 H LEU A 56 2.395 1.753 -7.639 1.00 0.00 H new ATOM 0 HA LEU A 56 5.039 0.812 -6.674 1.00 0.00 H new ATOM 0 HB2 LEU A 56 2.803 2.270 -5.348 1.00 0.00 H new ATOM 0 HB3 LEU A 56 3.431 0.899 -4.456 1.00 0.00 H new ATOM 0 HG LEU A 56 5.081 3.227 -5.480 1.00 0.00 H new ATOM 0 HD11 LEU A 56 5.269 3.858 -3.097 1.00 0.00 H new ATOM 0 HD12 LEU A 56 3.582 3.898 -3.663 1.00 0.00 H new ATOM 0 HD13 LEU A 56 4.155 2.538 -2.668 1.00 0.00 H new ATOM 0 HD21 LEU A 56 6.874 2.287 -4.073 1.00 0.00 H new ATOM 0 HD22 LEU A 56 5.831 0.898 -3.684 1.00 0.00 H new ATOM 0 HD23 LEU A 56 6.378 1.160 -5.358 1.00 0.00 H new ATOM 923 N PHE A 57 2.264 -0.695 -7.198 1.00 0.00 N ATOM 924 CA PHE A 57 1.622 -1.999 -7.293 1.00 0.00 C ATOM 925 C PHE A 57 1.012 -2.172 -8.675 1.00 0.00 C ATOM 926 O PHE A 57 0.486 -1.221 -9.258 1.00 0.00 O ATOM 927 CB PHE A 57 0.539 -2.162 -6.212 1.00 0.00 C ATOM 928 CG PHE A 57 -0.264 -3.432 -6.335 1.00 0.00 C ATOM 929 CD1 PHE A 57 0.183 -4.614 -5.762 1.00 0.00 C ATOM 930 CD2 PHE A 57 -1.470 -3.443 -7.025 1.00 0.00 C ATOM 931 CE1 PHE A 57 -0.554 -5.778 -5.876 1.00 0.00 C ATOM 932 CE2 PHE A 57 -2.208 -4.606 -7.141 1.00 0.00 C ATOM 933 CZ PHE A 57 -1.750 -5.774 -6.566 1.00 0.00 C ATOM 0 H PHE A 57 1.776 0.049 -7.696 1.00 0.00 H new ATOM 0 HA PHE A 57 2.378 -2.768 -7.132 1.00 0.00 H new ATOM 0 HB2 PHE A 57 1.013 -2.138 -5.231 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -0.139 -1.310 -6.260 1.00 0.00 H new ATOM 0 HD1 PHE A 57 1.117 -4.625 -5.221 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -1.835 -2.532 -7.476 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -0.194 -6.691 -5.425 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -3.143 -4.601 -7.682 1.00 0.00 H new ATOM 0 HZ PHE A 57 -2.326 -6.683 -6.656 1.00 0.00 H new ATOM 943 N ASP A 58 1.098 -3.383 -9.190 1.00 0.00 N ATOM 944 CA ASP A 58 0.521 -3.724 -10.479 1.00 0.00 C ATOM 945 C ASP A 58 -0.313 -4.994 -10.333 1.00 0.00 C ATOM 946 O ASP A 58 0.042 -5.883 -9.568 1.00 0.00 O ATOM 947 CB ASP A 58 1.639 -3.921 -11.506 1.00 0.00 C ATOM 948 CG ASP A 58 1.120 -4.348 -12.861 1.00 0.00 C ATOM 949 OD1 ASP A 58 1.346 -5.508 -13.246 1.00 0.00 O ATOM 950 OD2 ASP A 58 0.476 -3.531 -13.543 1.00 0.00 O ATOM 0 H ASP A 58 1.570 -4.160 -8.727 1.00 0.00 H new ATOM 0 HA ASP A 58 -0.125 -2.917 -10.826 1.00 0.00 H new ATOM 0 HB2 ASP A 58 2.197 -2.991 -11.612 1.00 0.00 H new ATOM 0 HB3 ASP A 58 2.338 -4.671 -11.136 1.00 0.00 H new ATOM 955 N ASP A 59 -1.429 -5.076 -11.051 1.00 0.00 N ATOM 956 CA ASP A 59 -2.351 -6.207 -10.903 1.00 0.00 C ATOM 957 C ASP A 59 -1.807 -7.446 -11.602 1.00 0.00 C ATOM 958 O ASP A 59 -2.312 -8.553 -11.419 1.00 0.00 O ATOM 959 CB ASP A 59 -3.740 -5.863 -11.454 1.00 0.00 C ATOM 960 CG ASP A 59 -3.778 -5.769 -12.967 1.00 0.00 C ATOM 961 OD1 ASP A 59 -4.297 -6.705 -13.614 1.00 0.00 O ATOM 962 OD2 ASP A 59 -3.301 -4.751 -13.515 1.00 0.00 O ATOM 0 H ASP A 59 -1.719 -4.380 -11.738 1.00 0.00 H new ATOM 0 HA ASP A 59 -2.444 -6.418 -9.838 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -4.451 -6.621 -11.126 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -4.067 -4.914 -11.029 1.00 0.00 H new ATOM 967 N THR A 60 -0.779 -7.246 -12.407 1.00 0.00 N ATOM 968 CA THR A 60 -0.131 -8.333 -13.112 1.00 0.00 C ATOM 969 C THR A 60 1.119 -8.812 -12.365 1.00 0.00 C ATOM 970 O THR A 60 1.187 -9.962 -11.927 1.00 0.00 O ATOM 971 CB THR A 60 0.243 -7.887 -14.537 1.00 0.00 C ATOM 972 OG1 THR A 60 -0.949 -7.661 -15.303 1.00 0.00 O ATOM 973 CG2 THR A 60 1.127 -8.908 -15.227 1.00 0.00 C ATOM 0 H THR A 60 -0.372 -6.328 -12.589 1.00 0.00 H new ATOM 0 HA THR A 60 -0.831 -9.167 -13.167 1.00 0.00 H new ATOM 0 HB THR A 60 0.809 -6.958 -14.464 1.00 0.00 H new ATOM 0 HG1 THR A 60 -0.707 -7.376 -16.209 1.00 0.00 H new ATOM 0 HG21 THR A 60 1.371 -8.559 -16.231 1.00 0.00 H new ATOM 0 HG22 THR A 60 2.046 -9.039 -14.655 1.00 0.00 H new ATOM 0 HG23 THR A 60 0.601 -9.860 -15.292 1.00 0.00 H new ATOM 981 N GLU A 61 2.094 -7.922 -12.216 1.00 0.00 N ATOM 982 CA GLU A 61 3.362 -8.260 -11.581 1.00 0.00 C ATOM 983 C GLU A 61 3.245 -8.272 -10.055 1.00 0.00 C ATOM 984 O GLU A 61 4.082 -8.858 -9.366 1.00 0.00 O ATOM 985 CB GLU A 61 4.440 -7.264 -12.005 1.00 0.00 C ATOM 986 CG GLU A 61 4.404 -6.932 -13.484 1.00 0.00 C ATOM 987 CD GLU A 61 5.435 -5.897 -13.879 1.00 0.00 C ATOM 988 OE1 GLU A 61 5.079 -4.700 -13.981 1.00 0.00 O ATOM 989 OE2 GLU A 61 6.604 -6.277 -14.097 1.00 0.00 O ATOM 0 H GLU A 61 2.029 -6.953 -12.529 1.00 0.00 H new ATOM 0 HA GLU A 61 3.638 -9.263 -11.906 1.00 0.00 H new ATOM 0 HB2 GLU A 61 4.321 -6.345 -11.431 1.00 0.00 H new ATOM 0 HB3 GLU A 61 5.420 -7.672 -11.755 1.00 0.00 H new ATOM 0 HG2 GLU A 61 4.571 -7.842 -14.060 1.00 0.00 H new ATOM 0 HG3 GLU A 61 3.411 -6.567 -13.745 1.00 0.00 H new ATOM 996 N GLY A 62 2.204 -7.639 -9.532 1.00 0.00 N ATOM 997 CA GLY A 62 2.036 -7.546 -8.093 1.00 0.00 C ATOM 998 C GLY A 62 2.762 -6.355 -7.501 1.00 0.00 C ATOM 999 O GLY A 62 2.999 -5.364 -8.193 1.00 0.00 O ATOM 0 H GLY A 62 1.471 -7.187 -10.078 1.00 0.00 H new ATOM 0 HA2 GLY A 62 0.974 -7.474 -7.858 1.00 0.00 H new ATOM 0 HA3 GLY A 62 2.404 -8.460 -7.627 1.00 0.00 H new ATOM 1003 N PRO A 63 3.105 -6.419 -6.206 1.00 0.00 N ATOM 1004 CA PRO A 63 3.878 -5.374 -5.533 1.00 0.00 C ATOM 1005 C PRO A 63 5.227 -5.159 -6.204 1.00 0.00 C ATOM 1006 O PRO A 63 6.022 -6.092 -6.335 1.00 0.00 O ATOM 1007 CB PRO A 63 4.064 -5.912 -4.106 1.00 0.00 C ATOM 1008 CG PRO A 63 2.997 -6.937 -3.934 1.00 0.00 C ATOM 1009 CD PRO A 63 2.756 -7.520 -5.300 1.00 0.00 C ATOM 0 HA PRO A 63 3.376 -4.407 -5.562 1.00 0.00 H new ATOM 0 HB2 PRO A 63 5.054 -6.348 -3.975 1.00 0.00 H new ATOM 0 HB3 PRO A 63 3.967 -5.115 -3.369 1.00 0.00 H new ATOM 0 HG2 PRO A 63 3.308 -7.709 -3.230 1.00 0.00 H new ATOM 0 HG3 PRO A 63 2.087 -6.489 -3.535 1.00 0.00 H new ATOM 0 HD2 PRO A 63 3.377 -8.398 -5.477 1.00 0.00 H new ATOM 0 HD3 PRO A 63 1.719 -7.831 -5.427 1.00 0.00 H new ATOM 1017 N LEU A 64 5.473 -3.934 -6.637 1.00 0.00 N ATOM 1018 CA LEU A 64 6.709 -3.605 -7.330 1.00 0.00 C ATOM 1019 C LEU A 64 7.811 -3.368 -6.314 1.00 0.00 C ATOM 1020 O LEU A 64 8.064 -2.234 -5.911 1.00 0.00 O ATOM 1021 CB LEU A 64 6.519 -2.371 -8.215 1.00 0.00 C ATOM 1022 CG LEU A 64 5.286 -2.422 -9.121 1.00 0.00 C ATOM 1023 CD1 LEU A 64 5.097 -1.107 -9.855 1.00 0.00 C ATOM 1024 CD2 LEU A 64 5.404 -3.568 -10.109 1.00 0.00 C ATOM 0 H LEU A 64 4.832 -3.149 -6.521 1.00 0.00 H new ATOM 0 HA LEU A 64 6.990 -4.439 -7.973 1.00 0.00 H new ATOM 0 HB2 LEU A 64 6.449 -1.490 -7.577 1.00 0.00 H new ATOM 0 HB3 LEU A 64 7.406 -2.245 -8.836 1.00 0.00 H new ATOM 0 HG LEU A 64 4.410 -2.589 -8.494 1.00 0.00 H new ATOM 0 HD11 LEU A 64 4.215 -1.169 -10.492 1.00 0.00 H new ATOM 0 HD12 LEU A 64 4.966 -0.302 -9.132 1.00 0.00 H new ATOM 0 HD13 LEU A 64 5.974 -0.904 -10.469 1.00 0.00 H new ATOM 0 HD21 LEU A 64 4.520 -3.591 -10.746 1.00 0.00 H new ATOM 0 HD22 LEU A 64 6.292 -3.427 -10.725 1.00 0.00 H new ATOM 0 HD23 LEU A 64 5.485 -4.510 -9.566 1.00 0.00 H new ATOM 1036 N VAL A 65 8.446 -4.463 -5.914 1.00 0.00 N ATOM 1037 CA VAL A 65 9.446 -4.469 -4.849 1.00 0.00 C ATOM 1038 C VAL A 65 10.486 -3.364 -5.018 1.00 0.00 C ATOM 1039 O VAL A 65 10.823 -2.677 -4.058 1.00 0.00 O ATOM 1040 CB VAL A 65 10.163 -5.830 -4.775 1.00 0.00 C ATOM 1041 CG1 VAL A 65 11.276 -5.806 -3.736 1.00 0.00 C ATOM 1042 CG2 VAL A 65 9.169 -6.933 -4.467 1.00 0.00 C ATOM 0 H VAL A 65 8.281 -5.383 -6.323 1.00 0.00 H new ATOM 0 HA VAL A 65 8.904 -4.286 -3.921 1.00 0.00 H new ATOM 0 HB VAL A 65 10.616 -6.030 -5.746 1.00 0.00 H new ATOM 0 HG11 VAL A 65 11.765 -6.779 -3.705 1.00 0.00 H new ATOM 0 HG12 VAL A 65 12.006 -5.041 -4.002 1.00 0.00 H new ATOM 0 HG13 VAL A 65 10.855 -5.580 -2.756 1.00 0.00 H new ATOM 0 HG21 VAL A 65 9.690 -7.889 -4.418 1.00 0.00 H new ATOM 0 HG22 VAL A 65 8.688 -6.732 -3.510 1.00 0.00 H new ATOM 0 HG23 VAL A 65 8.414 -6.972 -5.252 1.00 0.00 H new ATOM 1052 N ASP A 66 10.973 -3.186 -6.238 1.00 0.00 N ATOM 1053 CA ASP A 66 12.010 -2.193 -6.510 1.00 0.00 C ATOM 1054 C ASP A 66 11.550 -0.791 -6.125 1.00 0.00 C ATOM 1055 O ASP A 66 12.219 -0.097 -5.357 1.00 0.00 O ATOM 1056 CB ASP A 66 12.414 -2.219 -7.982 1.00 0.00 C ATOM 1057 CG ASP A 66 13.141 -3.491 -8.369 1.00 0.00 C ATOM 1058 OD1 ASP A 66 12.590 -4.276 -9.174 1.00 0.00 O ATOM 1059 OD2 ASP A 66 14.264 -3.715 -7.872 1.00 0.00 O ATOM 0 H ASP A 66 10.669 -3.714 -7.056 1.00 0.00 H new ATOM 0 HA ASP A 66 12.876 -2.451 -5.900 1.00 0.00 H new ATOM 0 HB2 ASP A 66 11.523 -2.113 -8.601 1.00 0.00 H new ATOM 0 HB3 ASP A 66 13.053 -1.362 -8.194 1.00 0.00 H new ATOM 1064 N ASN A 67 10.398 -0.381 -6.645 1.00 0.00 N ATOM 1065 CA ASN A 67 9.854 0.935 -6.337 1.00 0.00 C ATOM 1066 C ASN A 67 9.476 1.026 -4.866 1.00 0.00 C ATOM 1067 O ASN A 67 9.583 2.086 -4.250 1.00 0.00 O ATOM 1068 CB ASN A 67 8.643 1.251 -7.213 1.00 0.00 C ATOM 1069 CG ASN A 67 9.022 1.444 -8.672 1.00 0.00 C ATOM 1070 OD1 ASN A 67 10.176 1.732 -8.987 1.00 0.00 O ATOM 1071 ND2 ASN A 67 8.054 1.330 -9.573 1.00 0.00 N ATOM 0 H ASN A 67 9.826 -0.939 -7.279 1.00 0.00 H new ATOM 0 HA ASN A 67 10.628 1.673 -6.548 1.00 0.00 H new ATOM 0 HB2 ASN A 67 7.918 0.441 -7.132 1.00 0.00 H new ATOM 0 HB3 ASN A 67 8.156 2.153 -6.844 1.00 0.00 H new ATOM 0 HD21 ASN A 67 8.256 1.483 -10.561 1.00 0.00 H new ATOM 0 HD22 ASN A 67 7.108 1.090 -9.277 1.00 0.00 H new ATOM 1078 N LEU A 68 9.053 -0.103 -4.310 1.00 0.00 N ATOM 1079 CA LEU A 68 8.656 -0.186 -2.908 1.00 0.00 C ATOM 1080 C LEU A 68 9.817 0.143 -1.979 1.00 0.00 C ATOM 1081 O LEU A 68 9.666 0.911 -1.033 1.00 0.00 O ATOM 1082 CB LEU A 68 8.100 -1.576 -2.602 1.00 0.00 C ATOM 1083 CG LEU A 68 6.634 -1.765 -2.983 1.00 0.00 C ATOM 1084 CD1 LEU A 68 6.276 -3.240 -3.025 1.00 0.00 C ATOM 1085 CD2 LEU A 68 5.739 -1.038 -1.996 1.00 0.00 C ATOM 0 H LEU A 68 8.975 -0.985 -4.816 1.00 0.00 H new ATOM 0 HA LEU A 68 7.876 0.555 -2.733 1.00 0.00 H new ATOM 0 HB2 LEU A 68 8.699 -2.318 -3.130 1.00 0.00 H new ATOM 0 HB3 LEU A 68 8.214 -1.774 -1.536 1.00 0.00 H new ATOM 0 HG LEU A 68 6.480 -1.345 -3.977 1.00 0.00 H new ATOM 0 HD11 LEU A 68 5.227 -3.352 -3.298 1.00 0.00 H new ATOM 0 HD12 LEU A 68 6.899 -3.745 -3.763 1.00 0.00 H new ATOM 0 HD13 LEU A 68 6.444 -3.683 -2.044 1.00 0.00 H new ATOM 0 HD21 LEU A 68 4.696 -1.180 -2.278 1.00 0.00 H new ATOM 0 HD22 LEU A 68 5.902 -1.437 -0.995 1.00 0.00 H new ATOM 0 HD23 LEU A 68 5.976 0.026 -2.005 1.00 0.00 H new ATOM 1097 N VAL A 69 10.972 -0.432 -2.265 1.00 0.00 N ATOM 1098 CA VAL A 69 12.173 -0.170 -1.491 1.00 0.00 C ATOM 1099 C VAL A 69 12.663 1.256 -1.736 1.00 0.00 C ATOM 1100 O VAL A 69 13.052 1.959 -0.807 1.00 0.00 O ATOM 1101 CB VAL A 69 13.278 -1.171 -1.852 1.00 0.00 C ATOM 1102 CG1 VAL A 69 14.532 -0.891 -1.057 1.00 0.00 C ATOM 1103 CG2 VAL A 69 12.804 -2.592 -1.611 1.00 0.00 C ATOM 0 H VAL A 69 11.104 -1.089 -3.034 1.00 0.00 H new ATOM 0 HA VAL A 69 11.929 -0.284 -0.435 1.00 0.00 H new ATOM 0 HB VAL A 69 13.511 -1.057 -2.911 1.00 0.00 H new ATOM 0 HG11 VAL A 69 15.303 -1.612 -1.328 1.00 0.00 H new ATOM 0 HG12 VAL A 69 14.884 0.117 -1.276 1.00 0.00 H new ATOM 0 HG13 VAL A 69 14.314 -0.976 0.008 1.00 0.00 H new ATOM 0 HG21 VAL A 69 13.599 -3.290 -1.872 1.00 0.00 H new ATOM 0 HG22 VAL A 69 12.543 -2.715 -0.560 1.00 0.00 H new ATOM 0 HG23 VAL A 69 11.928 -2.793 -2.228 1.00 0.00 H new ATOM 1113 N HIS A 70 12.616 1.679 -2.994 1.00 0.00 N ATOM 1114 CA HIS A 70 12.991 3.041 -3.380 1.00 0.00 C ATOM 1115 C HIS A 70 12.216 4.084 -2.568 1.00 0.00 C ATOM 1116 O HIS A 70 12.760 5.124 -2.187 1.00 0.00 O ATOM 1117 CB HIS A 70 12.735 3.228 -4.885 1.00 0.00 C ATOM 1118 CG HIS A 70 12.680 4.656 -5.350 1.00 0.00 C ATOM 1119 ND1 HIS A 70 13.797 5.403 -5.645 1.00 0.00 N ATOM 1120 CD2 HIS A 70 11.619 5.464 -5.583 1.00 0.00 C ATOM 1121 CE1 HIS A 70 13.424 6.606 -6.038 1.00 0.00 C ATOM 1122 NE2 HIS A 70 12.107 6.670 -6.010 1.00 0.00 N ATOM 0 H HIS A 70 12.319 1.093 -3.774 1.00 0.00 H new ATOM 0 HA HIS A 70 14.050 3.187 -3.169 1.00 0.00 H new ATOM 0 HB2 HIS A 70 13.520 2.712 -5.438 1.00 0.00 H new ATOM 0 HB3 HIS A 70 11.793 2.742 -5.141 1.00 0.00 H new ATOM 0 HD2 HIS A 70 10.578 5.205 -5.455 1.00 0.00 H new ATOM 0 HE1 HIS A 70 14.087 7.406 -6.334 1.00 0.00 H new ATOM 0 HE2 HIS A 70 11.545 7.483 -6.264 1.00 0.00 H new ATOM 1131 N GLN A 71 10.952 3.790 -2.310 1.00 0.00 N ATOM 1132 CA GLN A 71 10.066 4.715 -1.616 1.00 0.00 C ATOM 1133 C GLN A 71 10.165 4.559 -0.098 1.00 0.00 C ATOM 1134 O GLN A 71 10.490 5.510 0.615 1.00 0.00 O ATOM 1135 CB GLN A 71 8.623 4.482 -2.073 1.00 0.00 C ATOM 1136 CG GLN A 71 7.619 5.440 -1.449 1.00 0.00 C ATOM 1137 CD GLN A 71 7.881 6.891 -1.797 1.00 0.00 C ATOM 1138 OE1 GLN A 71 8.353 7.210 -2.888 1.00 0.00 O ATOM 1139 NE2 GLN A 71 7.598 7.779 -0.858 1.00 0.00 N ATOM 0 H GLN A 71 10.511 2.909 -2.573 1.00 0.00 H new ATOM 0 HA GLN A 71 10.374 5.731 -1.865 1.00 0.00 H new ATOM 0 HB2 GLN A 71 8.576 4.577 -3.158 1.00 0.00 H new ATOM 0 HB3 GLN A 71 8.335 3.459 -1.829 1.00 0.00 H new ATOM 0 HG2 GLN A 71 6.616 5.170 -1.779 1.00 0.00 H new ATOM 0 HG3 GLN A 71 7.641 5.324 -0.365 1.00 0.00 H new ATOM 0 HE21 GLN A 71 7.208 7.472 0.033 1.00 0.00 H new ATOM 0 HE22 GLN A 71 7.770 8.770 -1.025 1.00 0.00 H new ATOM 1148 N LEU A 72 9.872 3.360 0.388 1.00 0.00 N ATOM 1149 CA LEU A 72 9.819 3.097 1.824 1.00 0.00 C ATOM 1150 C LEU A 72 11.181 3.248 2.496 1.00 0.00 C ATOM 1151 O LEU A 72 11.292 3.893 3.537 1.00 0.00 O ATOM 1152 CB LEU A 72 9.260 1.700 2.097 1.00 0.00 C ATOM 1153 CG LEU A 72 7.783 1.516 1.741 1.00 0.00 C ATOM 1154 CD1 LEU A 72 7.376 0.061 1.911 1.00 0.00 C ATOM 1155 CD2 LEU A 72 6.903 2.416 2.600 1.00 0.00 C ATOM 0 H LEU A 72 9.666 2.548 -0.194 1.00 0.00 H new ATOM 0 HA LEU A 72 9.154 3.846 2.254 1.00 0.00 H new ATOM 0 HB2 LEU A 72 9.847 0.973 1.535 1.00 0.00 H new ATOM 0 HB3 LEU A 72 9.395 1.471 3.154 1.00 0.00 H new ATOM 0 HG LEU A 72 7.645 1.799 0.697 1.00 0.00 H new ATOM 0 HD11 LEU A 72 6.323 -0.055 1.654 1.00 0.00 H new ATOM 0 HD12 LEU A 72 7.980 -0.565 1.255 1.00 0.00 H new ATOM 0 HD13 LEU A 72 7.532 -0.242 2.946 1.00 0.00 H new ATOM 0 HD21 LEU A 72 5.858 2.268 2.329 1.00 0.00 H new ATOM 0 HD22 LEU A 72 7.044 2.167 3.652 1.00 0.00 H new ATOM 0 HD23 LEU A 72 7.177 3.458 2.434 1.00 0.00 H new ATOM 1167 N ALA A 73 12.217 2.666 1.901 1.00 0.00 N ATOM 1168 CA ALA A 73 13.558 2.698 2.480 1.00 0.00 C ATOM 1169 C ALA A 73 14.231 4.064 2.327 1.00 0.00 C ATOM 1170 O ALA A 73 15.454 4.149 2.192 1.00 0.00 O ATOM 1171 CB ALA A 73 14.415 1.619 1.855 1.00 0.00 C ATOM 0 H ALA A 73 12.154 2.164 1.015 1.00 0.00 H new ATOM 0 HA ALA A 73 13.454 2.513 3.549 1.00 0.00 H new ATOM 0 HB1 ALA A 73 15.413 1.649 2.291 1.00 0.00 H new ATOM 0 HB2 ALA A 73 13.966 0.644 2.042 1.00 0.00 H new ATOM 0 HB3 ALA A 73 14.484 1.786 0.780 1.00 0.00 H new ATOM 1177 N HIS A 74 13.436 5.124 2.359 1.00 0.00 N ATOM 1178 CA HIS A 74 13.952 6.482 2.230 1.00 0.00 C ATOM 1179 C HIS A 74 14.753 6.860 3.474 1.00 0.00 C ATOM 1180 O HIS A 74 14.201 7.345 4.462 1.00 0.00 O ATOM 1181 CB HIS A 74 12.802 7.479 2.013 1.00 0.00 C ATOM 1182 CG HIS A 74 13.257 8.886 1.761 1.00 0.00 C ATOM 1183 ND1 HIS A 74 13.151 9.888 2.697 1.00 0.00 N ATOM 1184 CD2 HIS A 74 13.820 9.454 0.668 1.00 0.00 C ATOM 1185 CE1 HIS A 74 13.628 11.010 2.193 1.00 0.00 C ATOM 1186 NE2 HIS A 74 14.044 10.775 0.962 1.00 0.00 N ATOM 0 H HIS A 74 12.424 5.070 2.474 1.00 0.00 H new ATOM 0 HA HIS A 74 14.610 6.522 1.362 1.00 0.00 H new ATOM 0 HB2 HIS A 74 12.200 7.145 1.168 1.00 0.00 H new ATOM 0 HB3 HIS A 74 12.155 7.468 2.890 1.00 0.00 H new ATOM 0 HD2 HIS A 74 14.050 8.958 -0.263 1.00 0.00 H new ATOM 0 HE1 HIS A 74 13.671 11.962 2.702 1.00 0.00 H new ATOM 0 HE2 HIS A 74 14.462 11.462 0.334 1.00 0.00 H new ATOM 1195 N GLY A 75 16.054 6.622 3.420 1.00 0.00 N ATOM 1196 CA GLY A 75 16.910 6.907 4.552 1.00 0.00 C ATOM 1197 C GLY A 75 17.069 5.705 5.458 1.00 0.00 C ATOM 1198 O GLY A 75 17.318 5.847 6.656 1.00 0.00 O ATOM 0 H GLY A 75 16.535 6.235 2.608 1.00 0.00 H new ATOM 0 HA2 GLY A 75 17.890 7.224 4.195 1.00 0.00 H new ATOM 0 HA3 GLY A 75 16.494 7.738 5.121 1.00 0.00 H new ATOM 1202 N ARG A 76 16.916 4.518 4.885 1.00 0.00 N ATOM 1203 CA ARG A 76 17.049 3.276 5.635 1.00 0.00 C ATOM 1204 C ARG A 76 17.666 2.194 4.764 1.00 0.00 C ATOM 1205 O ARG A 76 17.669 2.303 3.537 1.00 0.00 O ATOM 1206 CB ARG A 76 15.691 2.803 6.155 1.00 0.00 C ATOM 1207 CG ARG A 76 15.379 3.263 7.566 1.00 0.00 C ATOM 1208 CD ARG A 76 14.181 2.528 8.138 1.00 0.00 C ATOM 1209 NE ARG A 76 13.825 3.012 9.470 1.00 0.00 N ATOM 1210 CZ ARG A 76 12.897 2.452 10.247 1.00 0.00 C ATOM 1211 NH1 ARG A 76 12.248 1.365 9.847 1.00 0.00 N ATOM 1212 NH2 ARG A 76 12.626 2.977 11.433 1.00 0.00 N ATOM 0 H ARG A 76 16.698 4.389 3.897 1.00 0.00 H new ATOM 0 HA ARG A 76 17.702 3.468 6.486 1.00 0.00 H new ATOM 0 HB2 ARG A 76 14.911 3.164 5.485 1.00 0.00 H new ATOM 0 HB3 ARG A 76 15.660 1.714 6.123 1.00 0.00 H new ATOM 0 HG2 ARG A 76 16.247 3.098 8.204 1.00 0.00 H new ATOM 0 HG3 ARG A 76 15.183 4.335 7.565 1.00 0.00 H new ATOM 0 HD2 ARG A 76 13.329 2.648 7.469 1.00 0.00 H new ATOM 0 HD3 ARG A 76 14.400 1.461 8.187 1.00 0.00 H new ATOM 0 HE ARG A 76 14.318 3.830 9.828 1.00 0.00 H new ATOM 0 HH11 ARG A 76 12.458 0.951 8.939 1.00 0.00 H new ATOM 0 HH12 ARG A 76 11.540 0.944 10.448 1.00 0.00 H new ATOM 0 HH21 ARG A 76 13.127 3.807 11.750 1.00 0.00 H new ATOM 0 HH22 ARG A 76 11.917 2.551 12.029 1.00 0.00 H new ATOM 1226 N ASP A 77 18.187 1.159 5.414 1.00 0.00 N ATOM 1227 CA ASP A 77 18.786 0.021 4.729 1.00 0.00 C ATOM 1228 C ASP A 77 17.785 -0.632 3.787 1.00 0.00 C ATOM 1229 O ASP A 77 16.814 -1.264 4.217 1.00 0.00 O ATOM 1230 CB ASP A 77 19.304 -0.995 5.744 1.00 0.00 C ATOM 1231 CG ASP A 77 20.466 -0.464 6.558 1.00 0.00 C ATOM 1232 OD1 ASP A 77 20.224 0.273 7.536 1.00 0.00 O ATOM 1233 OD2 ASP A 77 21.631 -0.782 6.224 1.00 0.00 O ATOM 0 H ASP A 77 18.206 1.086 6.431 1.00 0.00 H new ATOM 0 HA ASP A 77 19.626 0.382 4.135 1.00 0.00 H new ATOM 0 HB2 ASP A 77 18.494 -1.278 6.416 1.00 0.00 H new ATOM 0 HB3 ASP A 77 19.615 -1.900 5.221 1.00 0.00 H new ATOM 1238 N ALA A 78 18.048 -0.455 2.500 1.00 0.00 N ATOM 1239 CA ALA A 78 17.170 -0.902 1.430 1.00 0.00 C ATOM 1240 C ALA A 78 16.876 -2.396 1.495 1.00 0.00 C ATOM 1241 O ALA A 78 15.728 -2.812 1.366 1.00 0.00 O ATOM 1242 CB ALA A 78 17.797 -0.550 0.094 1.00 0.00 C ATOM 0 H ALA A 78 18.891 0.011 2.165 1.00 0.00 H new ATOM 0 HA ALA A 78 16.215 -0.391 1.549 1.00 0.00 H new ATOM 0 HB1 ALA A 78 17.144 -0.882 -0.713 1.00 0.00 H new ATOM 0 HB2 ALA A 78 17.934 0.529 0.029 1.00 0.00 H new ATOM 0 HB3 ALA A 78 18.764 -1.044 0.005 1.00 0.00 H new ATOM 1248 N GLU A 79 17.912 -3.195 1.701 1.00 0.00 N ATOM 1249 CA GLU A 79 17.778 -4.648 1.684 1.00 0.00 C ATOM 1250 C GLU A 79 16.897 -5.141 2.826 1.00 0.00 C ATOM 1251 O GLU A 79 16.118 -6.082 2.660 1.00 0.00 O ATOM 1252 CB GLU A 79 19.150 -5.305 1.753 1.00 0.00 C ATOM 1253 CG GLU A 79 19.972 -5.101 0.494 1.00 0.00 C ATOM 1254 CD GLU A 79 21.336 -5.749 0.577 1.00 0.00 C ATOM 1255 OE1 GLU A 79 22.337 -5.024 0.755 1.00 0.00 O ATOM 1256 OE2 GLU A 79 21.415 -6.988 0.458 1.00 0.00 O ATOM 0 H GLU A 79 18.859 -2.862 1.883 1.00 0.00 H new ATOM 0 HA GLU A 79 17.296 -4.928 0.747 1.00 0.00 H new ATOM 0 HB2 GLU A 79 19.697 -4.902 2.606 1.00 0.00 H new ATOM 0 HB3 GLU A 79 19.026 -6.373 1.930 1.00 0.00 H new ATOM 0 HG2 GLU A 79 19.431 -5.511 -0.359 1.00 0.00 H new ATOM 0 HG3 GLU A 79 20.092 -4.033 0.312 1.00 0.00 H new ATOM 1263 N GLU A 80 17.025 -4.504 3.980 1.00 0.00 N ATOM 1264 CA GLU A 80 16.184 -4.819 5.126 1.00 0.00 C ATOM 1265 C GLU A 80 14.721 -4.546 4.800 1.00 0.00 C ATOM 1266 O GLU A 80 13.862 -5.402 5.011 1.00 0.00 O ATOM 1267 CB GLU A 80 16.619 -4.008 6.342 1.00 0.00 C ATOM 1268 CG GLU A 80 17.802 -4.609 7.083 1.00 0.00 C ATOM 1269 CD GLU A 80 18.940 -5.002 6.165 1.00 0.00 C ATOM 1270 OE1 GLU A 80 19.610 -4.104 5.623 1.00 0.00 O ATOM 1271 OE2 GLU A 80 19.169 -6.216 5.982 1.00 0.00 O ATOM 0 H GLU A 80 17.706 -3.763 4.148 1.00 0.00 H new ATOM 0 HA GLU A 80 16.295 -5.878 5.359 1.00 0.00 H new ATOM 0 HB2 GLU A 80 16.877 -2.998 6.022 1.00 0.00 H new ATOM 0 HB3 GLU A 80 15.778 -3.919 7.029 1.00 0.00 H new ATOM 0 HG2 GLU A 80 18.167 -3.890 7.817 1.00 0.00 H new ATOM 0 HG3 GLU A 80 17.469 -5.488 7.636 1.00 0.00 H new ATOM 1278 N VAL A 81 14.460 -3.355 4.270 1.00 0.00 N ATOM 1279 CA VAL A 81 13.122 -2.973 3.831 1.00 0.00 C ATOM 1280 C VAL A 81 12.605 -3.930 2.757 1.00 0.00 C ATOM 1281 O VAL A 81 11.468 -4.388 2.821 1.00 0.00 O ATOM 1282 CB VAL A 81 13.126 -1.531 3.293 1.00 0.00 C ATOM 1283 CG1 VAL A 81 11.791 -1.156 2.667 1.00 0.00 C ATOM 1284 CG2 VAL A 81 13.478 -0.577 4.415 1.00 0.00 C ATOM 0 H VAL A 81 15.166 -2.631 4.133 1.00 0.00 H new ATOM 0 HA VAL A 81 12.456 -3.029 4.692 1.00 0.00 H new ATOM 0 HB VAL A 81 13.877 -1.461 2.506 1.00 0.00 H new ATOM 0 HG11 VAL A 81 11.836 -0.131 2.300 1.00 0.00 H new ATOM 0 HG12 VAL A 81 11.576 -1.829 1.837 1.00 0.00 H new ATOM 0 HG13 VAL A 81 11.002 -1.239 3.415 1.00 0.00 H new ATOM 0 HG21 VAL A 81 13.481 0.445 4.036 1.00 0.00 H new ATOM 0 HG22 VAL A 81 12.741 -0.666 5.213 1.00 0.00 H new ATOM 0 HG23 VAL A 81 14.466 -0.823 4.805 1.00 0.00 H new ATOM 1294 N ARG A 82 13.457 -4.224 1.777 1.00 0.00 N ATOM 1295 CA ARG A 82 13.152 -5.188 0.727 1.00 0.00 C ATOM 1296 C ARG A 82 12.695 -6.512 1.326 1.00 0.00 C ATOM 1297 O ARG A 82 11.710 -7.100 0.885 1.00 0.00 O ATOM 1298 CB ARG A 82 14.398 -5.416 -0.122 1.00 0.00 C ATOM 1299 CG ARG A 82 14.148 -6.234 -1.370 1.00 0.00 C ATOM 1300 CD ARG A 82 15.454 -6.560 -2.061 1.00 0.00 C ATOM 1301 NE ARG A 82 15.261 -7.272 -3.319 1.00 0.00 N ATOM 1302 CZ ARG A 82 16.145 -7.267 -4.316 1.00 0.00 C ATOM 1303 NH1 ARG A 82 17.260 -6.553 -4.215 1.00 0.00 N ATOM 1304 NH2 ARG A 82 15.906 -7.965 -5.418 1.00 0.00 N ATOM 0 H ARG A 82 14.380 -3.798 1.690 1.00 0.00 H new ATOM 0 HA ARG A 82 12.346 -4.792 0.109 1.00 0.00 H new ATOM 0 HB2 ARG A 82 14.812 -4.449 -0.410 1.00 0.00 H new ATOM 0 HB3 ARG A 82 15.152 -5.918 0.484 1.00 0.00 H new ATOM 0 HG2 ARG A 82 13.628 -7.156 -1.110 1.00 0.00 H new ATOM 0 HG3 ARG A 82 13.498 -5.682 -2.049 1.00 0.00 H new ATOM 0 HD2 ARG A 82 16.001 -5.636 -2.251 1.00 0.00 H new ATOM 0 HD3 ARG A 82 16.071 -7.165 -1.397 1.00 0.00 H new ATOM 0 HE ARG A 82 14.400 -7.804 -3.443 1.00 0.00 H new ATOM 0 HH11 ARG A 82 17.441 -6.007 -3.373 1.00 0.00 H new ATOM 0 HH12 ARG A 82 17.935 -6.551 -4.980 1.00 0.00 H new ATOM 0 HH21 ARG A 82 15.045 -8.506 -5.503 1.00 0.00 H new ATOM 0 HH22 ARG A 82 16.583 -7.961 -6.181 1.00 0.00 H new ATOM 1318 N THR A 83 13.414 -6.955 2.346 1.00 0.00 N ATOM 1319 CA THR A 83 13.119 -8.207 3.023 1.00 0.00 C ATOM 1320 C THR A 83 11.728 -8.170 3.663 1.00 0.00 C ATOM 1321 O THR A 83 10.904 -9.059 3.440 1.00 0.00 O ATOM 1322 CB THR A 83 14.192 -8.486 4.094 1.00 0.00 C ATOM 1323 OG1 THR A 83 15.425 -8.853 3.458 1.00 0.00 O ATOM 1324 CG2 THR A 83 13.759 -9.572 5.064 1.00 0.00 C ATOM 0 H THR A 83 14.218 -6.456 2.727 1.00 0.00 H new ATOM 0 HA THR A 83 13.129 -9.010 2.286 1.00 0.00 H new ATOM 0 HB THR A 83 14.333 -7.573 4.672 1.00 0.00 H new ATOM 0 HG1 THR A 83 15.857 -8.052 3.095 1.00 0.00 H new ATOM 0 HG21 THR A 83 14.545 -9.736 5.801 1.00 0.00 H new ATOM 0 HG22 THR A 83 12.845 -9.264 5.571 1.00 0.00 H new ATOM 0 HG23 THR A 83 13.576 -10.497 4.517 1.00 0.00 H new ATOM 1332 N GLU A 84 11.482 -7.132 4.456 1.00 0.00 N ATOM 1333 CA GLU A 84 10.192 -6.940 5.110 1.00 0.00 C ATOM 1334 C GLU A 84 9.053 -6.885 4.088 1.00 0.00 C ATOM 1335 O GLU A 84 7.987 -7.465 4.306 1.00 0.00 O ATOM 1336 CB GLU A 84 10.218 -5.663 5.946 1.00 0.00 C ATOM 1337 CG GLU A 84 11.387 -5.608 6.910 1.00 0.00 C ATOM 1338 CD GLU A 84 11.339 -4.414 7.833 1.00 0.00 C ATOM 1339 OE1 GLU A 84 11.892 -3.355 7.473 1.00 0.00 O ATOM 1340 OE2 GLU A 84 10.763 -4.534 8.936 1.00 0.00 O ATOM 0 H GLU A 84 12.166 -6.404 4.663 1.00 0.00 H new ATOM 0 HA GLU A 84 10.011 -7.793 5.764 1.00 0.00 H new ATOM 0 HB2 GLU A 84 10.262 -4.801 5.281 1.00 0.00 H new ATOM 0 HB3 GLU A 84 9.287 -5.584 6.508 1.00 0.00 H new ATOM 0 HG2 GLU A 84 11.401 -6.520 7.506 1.00 0.00 H new ATOM 0 HG3 GLU A 84 12.317 -5.584 6.342 1.00 0.00 H new ATOM 1347 N VAL A 85 9.286 -6.188 2.977 1.00 0.00 N ATOM 1348 CA VAL A 85 8.325 -6.128 1.883 1.00 0.00 C ATOM 1349 C VAL A 85 8.018 -7.525 1.344 1.00 0.00 C ATOM 1350 O VAL A 85 6.857 -7.906 1.210 1.00 0.00 O ATOM 1351 CB VAL A 85 8.852 -5.245 0.731 1.00 0.00 C ATOM 1352 CG1 VAL A 85 8.044 -5.465 -0.538 1.00 0.00 C ATOM 1353 CG2 VAL A 85 8.820 -3.780 1.132 1.00 0.00 C ATOM 0 H VAL A 85 10.139 -5.654 2.813 1.00 0.00 H new ATOM 0 HA VAL A 85 7.410 -5.689 2.281 1.00 0.00 H new ATOM 0 HB VAL A 85 9.884 -5.531 0.529 1.00 0.00 H new ATOM 0 HG11 VAL A 85 8.436 -4.831 -1.333 1.00 0.00 H new ATOM 0 HG12 VAL A 85 8.116 -6.510 -0.838 1.00 0.00 H new ATOM 0 HG13 VAL A 85 7.000 -5.211 -0.353 1.00 0.00 H new ATOM 0 HG21 VAL A 85 9.194 -3.170 0.310 1.00 0.00 H new ATOM 0 HG22 VAL A 85 7.796 -3.488 1.363 1.00 0.00 H new ATOM 0 HG23 VAL A 85 9.447 -3.629 2.011 1.00 0.00 H new ATOM 1363 N LEU A 86 9.070 -8.285 1.054 1.00 0.00 N ATOM 1364 CA LEU A 86 8.935 -9.628 0.493 1.00 0.00 C ATOM 1365 C LEU A 86 8.156 -10.550 1.425 1.00 0.00 C ATOM 1366 O LEU A 86 7.497 -11.488 0.977 1.00 0.00 O ATOM 1367 CB LEU A 86 10.312 -10.222 0.214 1.00 0.00 C ATOM 1368 CG LEU A 86 11.074 -9.555 -0.922 1.00 0.00 C ATOM 1369 CD1 LEU A 86 12.528 -9.987 -0.902 1.00 0.00 C ATOM 1370 CD2 LEU A 86 10.433 -9.894 -2.254 1.00 0.00 C ATOM 0 H LEU A 86 10.036 -7.991 1.200 1.00 0.00 H new ATOM 0 HA LEU A 86 8.378 -9.542 -0.440 1.00 0.00 H new ATOM 0 HB2 LEU A 86 10.911 -10.158 1.122 1.00 0.00 H new ATOM 0 HB3 LEU A 86 10.196 -11.281 -0.017 1.00 0.00 H new ATOM 0 HG LEU A 86 11.034 -8.474 -0.787 1.00 0.00 H new ATOM 0 HD11 LEU A 86 13.063 -9.503 -1.719 1.00 0.00 H new ATOM 0 HD12 LEU A 86 12.980 -9.700 0.047 1.00 0.00 H new ATOM 0 HD13 LEU A 86 12.588 -11.069 -1.020 1.00 0.00 H new ATOM 0 HD21 LEU A 86 10.988 -9.411 -3.058 1.00 0.00 H new ATOM 0 HD22 LEU A 86 10.448 -10.974 -2.401 1.00 0.00 H new ATOM 0 HD23 LEU A 86 9.402 -9.541 -2.262 1.00 0.00 H new ATOM 1382 N LYS A 87 8.226 -10.271 2.720 1.00 0.00 N ATOM 1383 CA LYS A 87 7.503 -11.056 3.717 1.00 0.00 C ATOM 1384 C LYS A 87 6.019 -10.705 3.711 1.00 0.00 C ATOM 1385 O LYS A 87 5.210 -11.339 4.389 1.00 0.00 O ATOM 1386 CB LYS A 87 8.101 -10.826 5.105 1.00 0.00 C ATOM 1387 CG LYS A 87 9.479 -11.441 5.262 1.00 0.00 C ATOM 1388 CD LYS A 87 10.096 -11.122 6.610 1.00 0.00 C ATOM 1389 CE LYS A 87 11.417 -11.847 6.791 1.00 0.00 C ATOM 1390 NZ LYS A 87 11.257 -13.322 6.699 1.00 0.00 N ATOM 0 H LYS A 87 8.777 -9.505 3.107 1.00 0.00 H new ATOM 0 HA LYS A 87 7.603 -12.111 3.463 1.00 0.00 H new ATOM 0 HB2 LYS A 87 8.163 -9.755 5.296 1.00 0.00 H new ATOM 0 HB3 LYS A 87 7.433 -11.246 5.857 1.00 0.00 H new ATOM 0 HG2 LYS A 87 9.409 -12.522 5.143 1.00 0.00 H new ATOM 0 HG3 LYS A 87 10.131 -11.075 4.469 1.00 0.00 H new ATOM 0 HD2 LYS A 87 10.253 -10.047 6.696 1.00 0.00 H new ATOM 0 HD3 LYS A 87 9.408 -11.409 7.405 1.00 0.00 H new ATOM 0 HE2 LYS A 87 12.123 -11.510 6.032 1.00 0.00 H new ATOM 0 HE3 LYS A 87 11.844 -11.588 7.760 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 11.830 -13.780 7.436 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 10.256 -13.572 6.833 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 11.573 -13.648 5.763 1.00 0.00 H new ATOM 1404 N CYS A 88 5.677 -9.691 2.941 1.00 0.00 N ATOM 1405 CA CYS A 88 4.296 -9.274 2.779 1.00 0.00 C ATOM 1406 C CYS A 88 3.831 -9.527 1.347 1.00 0.00 C ATOM 1407 O CYS A 88 2.642 -9.435 1.034 1.00 0.00 O ATOM 1408 CB CYS A 88 4.156 -7.801 3.152 1.00 0.00 C ATOM 1409 SG CYS A 88 4.143 -7.500 4.950 1.00 0.00 S ATOM 0 H CYS A 88 6.346 -9.133 2.411 1.00 0.00 H new ATOM 0 HA CYS A 88 3.662 -9.860 3.444 1.00 0.00 H new ATOM 0 HB2 CYS A 88 4.978 -7.242 2.705 1.00 0.00 H new ATOM 0 HB3 CYS A 88 3.234 -7.412 2.720 1.00 0.00 H new ATOM 1414 N VAL A 89 4.788 -9.845 0.474 1.00 0.00 N ATOM 1415 CA VAL A 89 4.486 -10.199 -0.898 1.00 0.00 C ATOM 1416 C VAL A 89 4.016 -11.646 -0.970 1.00 0.00 C ATOM 1417 O VAL A 89 4.629 -12.541 -0.379 1.00 0.00 O ATOM 1418 CB VAL A 89 5.709 -10.019 -1.819 1.00 0.00 C ATOM 1419 CG1 VAL A 89 5.372 -10.433 -3.238 1.00 0.00 C ATOM 1420 CG2 VAL A 89 6.207 -8.582 -1.793 1.00 0.00 C ATOM 0 H VAL A 89 5.782 -9.862 0.703 1.00 0.00 H new ATOM 0 HA VAL A 89 3.698 -9.529 -1.242 1.00 0.00 H new ATOM 0 HB VAL A 89 6.506 -10.662 -1.447 1.00 0.00 H new ATOM 0 HG11 VAL A 89 6.247 -10.299 -3.874 1.00 0.00 H new ATOM 0 HG12 VAL A 89 5.072 -11.481 -3.250 1.00 0.00 H new ATOM 0 HG13 VAL A 89 4.554 -9.817 -3.612 1.00 0.00 H new ATOM 0 HG21 VAL A 89 7.070 -8.484 -2.451 1.00 0.00 H new ATOM 0 HG22 VAL A 89 5.414 -7.916 -2.133 1.00 0.00 H new ATOM 0 HG23 VAL A 89 6.494 -8.315 -0.776 1.00 0.00 H new ATOM 1430 N ASP A 90 2.930 -11.865 -1.683 1.00 0.00 N ATOM 1431 CA ASP A 90 2.374 -13.196 -1.848 1.00 0.00 C ATOM 1432 C ASP A 90 1.619 -13.267 -3.171 1.00 0.00 C ATOM 1433 O ASP A 90 1.459 -12.253 -3.849 1.00 0.00 O ATOM 1434 CB ASP A 90 1.443 -13.531 -0.680 1.00 0.00 C ATOM 1435 CG ASP A 90 1.364 -15.020 -0.410 1.00 0.00 C ATOM 1436 OD1 ASP A 90 0.759 -15.754 -1.219 1.00 0.00 O ATOM 1437 OD2 ASP A 90 1.910 -15.470 0.620 1.00 0.00 O ATOM 0 H ASP A 90 2.409 -11.131 -2.163 1.00 0.00 H new ATOM 0 HA ASP A 90 3.182 -13.927 -1.858 1.00 0.00 H new ATOM 0 HB2 ASP A 90 1.793 -13.020 0.217 1.00 0.00 H new ATOM 0 HB3 ASP A 90 0.444 -13.150 -0.895 1.00 0.00 H new ATOM 1442 N LYS A 91 1.147 -14.454 -3.522 1.00 0.00 N ATOM 1443 CA LYS A 91 0.473 -14.680 -4.795 1.00 0.00 C ATOM 1444 C LYS A 91 -1.026 -14.441 -4.663 1.00 0.00 C ATOM 1445 O LYS A 91 -1.601 -14.619 -3.587 1.00 0.00 O ATOM 1446 CB LYS A 91 0.730 -16.106 -5.269 1.00 0.00 C ATOM 1447 CG LYS A 91 2.172 -16.539 -5.108 1.00 0.00 C ATOM 1448 CD LYS A 91 2.404 -17.937 -5.650 1.00 0.00 C ATOM 1449 CE LYS A 91 3.872 -18.323 -5.580 1.00 0.00 C ATOM 1450 NZ LYS A 91 4.726 -17.423 -6.403 1.00 0.00 N ATOM 0 H LYS A 91 1.219 -15.286 -2.936 1.00 0.00 H new ATOM 0 HA LYS A 91 0.871 -13.977 -5.527 1.00 0.00 H new ATOM 0 HB2 LYS A 91 0.088 -16.788 -4.711 1.00 0.00 H new ATOM 0 HB3 LYS A 91 0.448 -16.189 -6.319 1.00 0.00 H new ATOM 0 HG2 LYS A 91 2.823 -15.835 -5.627 1.00 0.00 H new ATOM 0 HG3 LYS A 91 2.445 -16.508 -4.053 1.00 0.00 H new ATOM 0 HD2 LYS A 91 1.811 -18.653 -5.081 1.00 0.00 H new ATOM 0 HD3 LYS A 91 2.061 -17.990 -6.683 1.00 0.00 H new ATOM 0 HE2 LYS A 91 4.206 -18.291 -4.543 1.00 0.00 H new ATOM 0 HE3 LYS A 91 3.993 -19.351 -5.922 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 5.650 -17.873 -6.564 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 4.263 -17.245 -7.317 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 4.863 -16.521 -5.903 1.00 0.00 H new ATOM 1464 N ASN A 92 -1.649 -14.044 -5.765 1.00 0.00 N ATOM 1465 CA ASN A 92 -3.075 -13.714 -5.786 1.00 0.00 C ATOM 1466 C ASN A 92 -3.924 -14.981 -5.788 1.00 0.00 C ATOM 1467 O ASN A 92 -4.533 -15.345 -6.795 1.00 0.00 O ATOM 1468 CB ASN A 92 -3.404 -12.861 -7.012 1.00 0.00 C ATOM 1469 CG ASN A 92 -4.835 -12.347 -7.022 1.00 0.00 C ATOM 1470 OD1 ASN A 92 -5.480 -12.226 -5.979 1.00 0.00 O ATOM 1471 ND2 ASN A 92 -5.329 -12.026 -8.210 1.00 0.00 N ATOM 0 H ASN A 92 -1.186 -13.941 -6.668 1.00 0.00 H new ATOM 0 HA ASN A 92 -3.306 -13.145 -4.886 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -2.721 -12.013 -7.050 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -3.231 -13.450 -7.913 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -6.279 -11.662 -8.286 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -4.759 -12.143 -9.048 1.00 0.00 H new ATOM 1478 N THR A 93 -3.948 -15.648 -4.648 1.00 0.00 N ATOM 1479 CA THR A 93 -4.724 -16.861 -4.471 1.00 0.00 C ATOM 1480 C THR A 93 -6.191 -16.546 -4.190 1.00 0.00 C ATOM 1481 O THR A 93 -7.054 -17.417 -4.287 1.00 0.00 O ATOM 1482 CB THR A 93 -4.143 -17.689 -3.315 1.00 0.00 C ATOM 1483 OG1 THR A 93 -3.985 -16.859 -2.156 1.00 0.00 O ATOM 1484 CG2 THR A 93 -2.798 -18.275 -3.701 1.00 0.00 C ATOM 0 H THR A 93 -3.429 -15.363 -3.818 1.00 0.00 H new ATOM 0 HA THR A 93 -4.670 -17.433 -5.397 1.00 0.00 H new ATOM 0 HB THR A 93 -4.832 -18.504 -3.093 1.00 0.00 H new ATOM 0 HG1 THR A 93 -3.616 -17.391 -1.420 1.00 0.00 H new ATOM 0 HG21 THR A 93 -2.403 -18.858 -2.869 1.00 0.00 H new ATOM 0 HG22 THR A 93 -2.918 -18.920 -4.571 1.00 0.00 H new ATOM 0 HG23 THR A 93 -2.105 -17.468 -3.940 1.00 0.00 H new ATOM 1492 N ASP A 94 -6.467 -15.292 -3.850 1.00 0.00 N ATOM 1493 CA ASP A 94 -7.832 -14.864 -3.556 1.00 0.00 C ATOM 1494 C ASP A 94 -8.581 -14.570 -4.843 1.00 0.00 C ATOM 1495 O ASP A 94 -9.809 -14.503 -4.860 1.00 0.00 O ATOM 1496 CB ASP A 94 -7.844 -13.619 -2.666 1.00 0.00 C ATOM 1497 CG ASP A 94 -7.137 -13.831 -1.348 1.00 0.00 C ATOM 1498 OD1 ASP A 94 -6.238 -13.032 -1.021 1.00 0.00 O ATOM 1499 OD2 ASP A 94 -7.473 -14.793 -0.629 1.00 0.00 O ATOM 0 H ASP A 94 -5.767 -14.555 -3.771 1.00 0.00 H new ATOM 0 HA ASP A 94 -8.325 -15.677 -3.023 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -7.370 -12.794 -3.198 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -8.876 -13.325 -2.476 1.00 0.00 H new ATOM 1504 N ASN A 95 -7.812 -14.400 -5.915 1.00 0.00 N ATOM 1505 CA ASN A 95 -8.339 -14.138 -7.253 1.00 0.00 C ATOM 1506 C ASN A 95 -9.041 -12.788 -7.350 1.00 0.00 C ATOM 1507 O ASN A 95 -9.830 -12.554 -8.266 1.00 0.00 O ATOM 1508 CB ASN A 95 -9.271 -15.260 -7.705 1.00 0.00 C ATOM 1509 CG ASN A 95 -8.545 -16.575 -7.891 1.00 0.00 C ATOM 1510 OD1 ASN A 95 -7.366 -16.609 -8.252 1.00 0.00 O ATOM 1511 ND2 ASN A 95 -9.243 -17.666 -7.645 1.00 0.00 N ATOM 0 H ASN A 95 -6.793 -14.441 -5.880 1.00 0.00 H new ATOM 0 HA ASN A 95 -7.481 -14.103 -7.924 1.00 0.00 H new ATOM 0 HB2 ASN A 95 -10.065 -15.388 -6.969 1.00 0.00 H new ATOM 0 HB3 ASN A 95 -9.748 -14.976 -8.643 1.00 0.00 H new ATOM 0 HD21 ASN A 95 -8.810 -18.583 -7.751 1.00 0.00 H new ATOM 0 HD22 ASN A 95 -10.216 -17.593 -7.348 1.00 0.00 H new ATOM 1518 N ASN A 96 -8.748 -11.896 -6.413 1.00 0.00 N ATOM 1519 CA ASN A 96 -9.214 -10.518 -6.497 1.00 0.00 C ATOM 1520 C ASN A 96 -8.050 -9.581 -6.229 1.00 0.00 C ATOM 1521 O ASN A 96 -7.481 -9.574 -5.136 1.00 0.00 O ATOM 1522 CB ASN A 96 -10.357 -10.216 -5.511 1.00 0.00 C ATOM 1523 CG ASN A 96 -10.820 -11.422 -4.720 1.00 0.00 C ATOM 1524 OD1 ASN A 96 -10.295 -11.711 -3.645 1.00 0.00 O ATOM 1525 ND2 ASN A 96 -11.814 -12.128 -5.237 1.00 0.00 N ATOM 0 H ASN A 96 -8.189 -12.102 -5.585 1.00 0.00 H new ATOM 0 HA ASN A 96 -9.609 -10.366 -7.501 1.00 0.00 H new ATOM 0 HB2 ASN A 96 -10.030 -9.442 -4.817 1.00 0.00 H new ATOM 0 HB3 ASN A 96 -11.204 -9.810 -6.065 1.00 0.00 H new ATOM 0 HD21 ASN A 96 -12.171 -12.945 -4.741 1.00 0.00 H new ATOM 0 HD22 ASN A 96 -12.222 -11.855 -6.131 1.00 0.00 H new ATOM 1532 N ALA A 97 -7.700 -8.795 -7.239 1.00 0.00 N ATOM 1533 CA ALA A 97 -6.555 -7.898 -7.168 1.00 0.00 C ATOM 1534 C ALA A 97 -6.729 -6.839 -6.081 1.00 0.00 C ATOM 1535 O ALA A 97 -5.746 -6.359 -5.518 1.00 0.00 O ATOM 1536 CB ALA A 97 -6.320 -7.242 -8.520 1.00 0.00 C ATOM 0 H ALA A 97 -8.200 -8.762 -8.127 1.00 0.00 H new ATOM 0 HA ALA A 97 -5.681 -8.494 -6.903 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -5.462 -6.573 -8.456 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -6.126 -8.010 -9.268 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -7.204 -6.672 -8.806 1.00 0.00 H new ATOM 1542 N CYS A 98 -7.977 -6.472 -5.790 1.00 0.00 N ATOM 1543 CA CYS A 98 -8.257 -5.520 -4.716 1.00 0.00 C ATOM 1544 C CYS A 98 -7.772 -6.073 -3.379 1.00 0.00 C ATOM 1545 O CYS A 98 -7.164 -5.354 -2.584 1.00 0.00 O ATOM 1546 CB CYS A 98 -9.753 -5.197 -4.629 1.00 0.00 C ATOM 1547 SG CYS A 98 -10.459 -4.454 -6.136 1.00 0.00 S ATOM 0 H CYS A 98 -8.804 -6.816 -6.278 1.00 0.00 H new ATOM 0 HA CYS A 98 -7.721 -4.598 -4.944 1.00 0.00 H new ATOM 0 HB2 CYS A 98 -10.297 -6.114 -4.403 1.00 0.00 H new ATOM 0 HB3 CYS A 98 -9.916 -4.516 -3.794 1.00 0.00 H new ATOM 1552 N HIS A 99 -8.007 -7.358 -3.149 1.00 0.00 N ATOM 1553 CA HIS A 99 -7.613 -7.977 -1.894 1.00 0.00 C ATOM 1554 C HIS A 99 -6.115 -8.246 -1.904 1.00 0.00 C ATOM 1555 O HIS A 99 -5.465 -8.222 -0.863 1.00 0.00 O ATOM 1556 CB HIS A 99 -8.385 -9.281 -1.665 1.00 0.00 C ATOM 1557 CG HIS A 99 -8.238 -9.831 -0.279 1.00 0.00 C ATOM 1558 ND1 HIS A 99 -7.548 -10.986 0.014 1.00 0.00 N ATOM 1559 CD2 HIS A 99 -8.722 -9.381 0.902 1.00 0.00 C ATOM 1560 CE1 HIS A 99 -7.618 -11.219 1.310 1.00 0.00 C ATOM 1561 NE2 HIS A 99 -8.322 -10.262 1.873 1.00 0.00 N ATOM 0 H HIS A 99 -8.465 -7.986 -3.810 1.00 0.00 H new ATOM 0 HA HIS A 99 -7.850 -7.295 -1.078 1.00 0.00 H new ATOM 0 HB2 HIS A 99 -9.442 -9.108 -1.868 1.00 0.00 H new ATOM 0 HB3 HIS A 99 -8.041 -10.027 -2.381 1.00 0.00 H new ATOM 0 HD1 HIS A 99 -7.059 -11.570 -0.665 1.00 0.00 H new ATOM 0 HD2 HIS A 99 -9.315 -8.491 1.052 1.00 0.00 H new ATOM 0 HE1 HIS A 99 -7.171 -12.057 1.824 1.00 0.00 H new ATOM 1570 N TRP A 100 -5.582 -8.481 -3.094 1.00 0.00 N ATOM 1571 CA TRP A 100 -4.159 -8.762 -3.271 1.00 0.00 C ATOM 1572 C TRP A 100 -3.318 -7.585 -2.778 1.00 0.00 C ATOM 1573 O TRP A 100 -2.471 -7.739 -1.894 1.00 0.00 O ATOM 1574 CB TRP A 100 -3.865 -9.052 -4.752 1.00 0.00 C ATOM 1575 CG TRP A 100 -2.477 -9.550 -5.019 1.00 0.00 C ATOM 1576 CD1 TRP A 100 -1.530 -9.888 -4.096 1.00 0.00 C ATOM 1577 CD2 TRP A 100 -1.887 -9.791 -6.303 1.00 0.00 C ATOM 1578 NE1 TRP A 100 -0.389 -10.313 -4.726 1.00 0.00 N ATOM 1579 CE2 TRP A 100 -0.584 -10.269 -6.079 1.00 0.00 C ATOM 1580 CE3 TRP A 100 -2.335 -9.650 -7.620 1.00 0.00 C ATOM 1581 CZ2 TRP A 100 0.276 -10.609 -7.121 1.00 0.00 C ATOM 1582 CZ3 TRP A 100 -1.481 -9.987 -8.652 1.00 0.00 C ATOM 1583 CH2 TRP A 100 -0.190 -10.463 -8.400 1.00 0.00 C ATOM 0 H TRP A 100 -6.118 -8.483 -3.962 1.00 0.00 H new ATOM 0 HA TRP A 100 -3.895 -9.640 -2.681 1.00 0.00 H new ATOM 0 HB2 TRP A 100 -4.580 -9.791 -5.114 1.00 0.00 H new ATOM 0 HB3 TRP A 100 -4.029 -8.141 -5.328 1.00 0.00 H new ATOM 0 HD1 TRP A 100 -1.661 -9.829 -3.026 1.00 0.00 H new ATOM 0 HE1 TRP A 100 0.467 -10.614 -4.261 1.00 0.00 H new ATOM 0 HE3 TRP A 100 -3.330 -9.284 -7.826 1.00 0.00 H new ATOM 0 HZ2 TRP A 100 1.274 -10.974 -6.927 1.00 0.00 H new ATOM 0 HZ3 TRP A 100 -1.816 -9.881 -9.673 1.00 0.00 H new ATOM 0 HH2 TRP A 100 0.451 -10.720 -9.230 1.00 0.00 H new ATOM 1594 N ALA A 101 -3.577 -6.412 -3.342 1.00 0.00 N ATOM 1595 CA ALA A 101 -2.860 -5.201 -2.969 1.00 0.00 C ATOM 1596 C ALA A 101 -3.102 -4.856 -1.508 1.00 0.00 C ATOM 1597 O ALA A 101 -2.199 -4.402 -0.803 1.00 0.00 O ATOM 1598 CB ALA A 101 -3.298 -4.046 -3.854 1.00 0.00 C ATOM 0 H ALA A 101 -4.284 -6.274 -4.065 1.00 0.00 H new ATOM 0 HA ALA A 101 -1.793 -5.377 -3.108 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -2.757 -3.144 -3.569 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -3.083 -4.284 -4.896 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -4.369 -3.881 -3.733 1.00 0.00 H new ATOM 1604 N PHE A 102 -4.325 -5.096 -1.061 1.00 0.00 N ATOM 1605 CA PHE A 102 -4.722 -4.766 0.295 1.00 0.00 C ATOM 1606 C PHE A 102 -3.970 -5.622 1.313 1.00 0.00 C ATOM 1607 O PHE A 102 -3.674 -5.166 2.416 1.00 0.00 O ATOM 1608 CB PHE A 102 -6.231 -4.935 0.454 1.00 0.00 C ATOM 1609 CG PHE A 102 -6.758 -4.489 1.790 1.00 0.00 C ATOM 1610 CD1 PHE A 102 -7.192 -5.410 2.731 1.00 0.00 C ATOM 1611 CD2 PHE A 102 -6.817 -3.140 2.104 1.00 0.00 C ATOM 1612 CE1 PHE A 102 -7.677 -4.993 3.957 1.00 0.00 C ATOM 1613 CE2 PHE A 102 -7.300 -2.717 3.328 1.00 0.00 C ATOM 1614 CZ PHE A 102 -7.730 -3.645 4.255 1.00 0.00 C ATOM 0 H PHE A 102 -5.062 -5.521 -1.623 1.00 0.00 H new ATOM 0 HA PHE A 102 -4.464 -3.724 0.485 1.00 0.00 H new ATOM 0 HB2 PHE A 102 -6.734 -4.370 -0.331 1.00 0.00 H new ATOM 0 HB3 PHE A 102 -6.487 -5.984 0.306 1.00 0.00 H new ATOM 0 HD1 PHE A 102 -7.151 -6.465 2.504 1.00 0.00 H new ATOM 0 HD2 PHE A 102 -6.481 -2.410 1.383 1.00 0.00 H new ATOM 0 HE1 PHE A 102 -8.014 -5.720 4.681 1.00 0.00 H new ATOM 0 HE2 PHE A 102 -7.341 -1.663 3.559 1.00 0.00 H new ATOM 0 HZ PHE A 102 -8.108 -3.318 5.212 1.00 0.00 H new ATOM 1624 N ARG A 103 -3.646 -6.857 0.933 1.00 0.00 N ATOM 1625 CA ARG A 103 -2.909 -7.750 1.823 1.00 0.00 C ATOM 1626 C ARG A 103 -1.501 -7.230 2.028 1.00 0.00 C ATOM 1627 O ARG A 103 -1.006 -7.177 3.150 1.00 0.00 O ATOM 1628 CB ARG A 103 -2.825 -9.169 1.266 1.00 0.00 C ATOM 1629 CG ARG A 103 -4.155 -9.885 1.180 1.00 0.00 C ATOM 1630 CD ARG A 103 -3.973 -11.312 0.694 1.00 0.00 C ATOM 1631 NE ARG A 103 -2.975 -11.404 -0.371 1.00 0.00 N ATOM 1632 CZ ARG A 103 -2.735 -12.505 -1.074 1.00 0.00 C ATOM 1633 NH1 ARG A 103 -3.505 -13.577 -0.927 1.00 0.00 N ATOM 1634 NH2 ARG A 103 -1.735 -12.525 -1.941 1.00 0.00 N ATOM 0 H ARG A 103 -3.880 -7.258 0.025 1.00 0.00 H new ATOM 0 HA ARG A 103 -3.450 -7.779 2.769 1.00 0.00 H new ATOM 0 HB2 ARG A 103 -2.382 -9.130 0.271 1.00 0.00 H new ATOM 0 HB3 ARG A 103 -2.151 -9.753 1.893 1.00 0.00 H new ATOM 0 HG2 ARG A 103 -4.634 -9.889 2.159 1.00 0.00 H new ATOM 0 HG3 ARG A 103 -4.818 -9.348 0.502 1.00 0.00 H new ATOM 0 HD2 ARG A 103 -3.671 -11.944 1.529 1.00 0.00 H new ATOM 0 HD3 ARG A 103 -4.927 -11.696 0.332 1.00 0.00 H new ATOM 0 HE ARG A 103 -2.429 -10.570 -0.588 1.00 0.00 H new ATOM 0 HH11 ARG A 103 -4.286 -13.558 -0.271 1.00 0.00 H new ATOM 0 HH12 ARG A 103 -3.315 -14.419 -1.470 1.00 0.00 H new ATOM 0 HH21 ARG A 103 -1.153 -11.697 -2.067 1.00 0.00 H new ATOM 0 HH22 ARG A 103 -1.547 -13.368 -2.483 1.00 0.00 H new ATOM 1648 N GLY A 104 -0.869 -6.843 0.925 1.00 0.00 N ATOM 1649 CA GLY A 104 0.490 -6.347 0.980 1.00 0.00 C ATOM 1650 C GLY A 104 0.602 -5.113 1.849 1.00 0.00 C ATOM 1651 O GLY A 104 1.496 -5.010 2.693 1.00 0.00 O ATOM 0 H GLY A 104 -1.278 -6.865 -0.009 1.00 0.00 H new ATOM 0 HA2 GLY A 104 1.146 -7.126 1.368 1.00 0.00 H new ATOM 0 HA3 GLY A 104 0.833 -6.114 -0.028 1.00 0.00 H new ATOM 1655 N PHE A 105 -0.330 -4.190 1.658 1.00 0.00 N ATOM 1656 CA PHE A 105 -0.339 -2.943 2.401 1.00 0.00 C ATOM 1657 C PHE A 105 -0.615 -3.189 3.882 1.00 0.00 C ATOM 1658 O PHE A 105 0.089 -2.674 4.749 1.00 0.00 O ATOM 1659 CB PHE A 105 -1.381 -1.995 1.805 1.00 0.00 C ATOM 1660 CG PHE A 105 -1.649 -0.773 2.639 1.00 0.00 C ATOM 1661 CD1 PHE A 105 -0.598 -0.006 3.119 1.00 0.00 C ATOM 1662 CD2 PHE A 105 -2.947 -0.385 2.937 1.00 0.00 C ATOM 1663 CE1 PHE A 105 -0.836 1.121 3.879 1.00 0.00 C ATOM 1664 CE2 PHE A 105 -3.188 0.741 3.698 1.00 0.00 C ATOM 1665 CZ PHE A 105 -2.130 1.494 4.170 1.00 0.00 C ATOM 0 H PHE A 105 -1.094 -4.285 0.989 1.00 0.00 H new ATOM 0 HA PHE A 105 0.646 -2.482 2.322 1.00 0.00 H new ATOM 0 HB2 PHE A 105 -1.047 -1.681 0.816 1.00 0.00 H new ATOM 0 HB3 PHE A 105 -2.315 -2.540 1.667 1.00 0.00 H new ATOM 0 HD1 PHE A 105 0.419 -0.294 2.895 1.00 0.00 H new ATOM 0 HD2 PHE A 105 -3.777 -0.970 2.570 1.00 0.00 H new ATOM 0 HE1 PHE A 105 -0.008 1.710 4.245 1.00 0.00 H new ATOM 0 HE2 PHE A 105 -4.203 1.033 3.924 1.00 0.00 H new ATOM 0 HZ PHE A 105 -2.317 2.374 4.767 1.00 0.00 H new ATOM 1675 N LYS A 106 -1.622 -4.005 4.162 1.00 0.00 N ATOM 1676 CA LYS A 106 -2.052 -4.241 5.534 1.00 0.00 C ATOM 1677 C LYS A 106 -1.004 -5.036 6.311 1.00 0.00 C ATOM 1678 O LYS A 106 -0.766 -4.782 7.490 1.00 0.00 O ATOM 1679 CB LYS A 106 -3.424 -4.932 5.554 1.00 0.00 C ATOM 1680 CG LYS A 106 -3.763 -5.616 6.864 1.00 0.00 C ATOM 1681 CD LYS A 106 -5.245 -5.955 6.941 1.00 0.00 C ATOM 1682 CE LYS A 106 -5.635 -6.483 8.314 1.00 0.00 C ATOM 1683 NZ LYS A 106 -7.108 -6.634 8.457 1.00 0.00 N ATOM 0 H LYS A 106 -2.156 -4.514 3.458 1.00 0.00 H new ATOM 0 HA LYS A 106 -2.157 -3.278 6.034 1.00 0.00 H new ATOM 0 HB2 LYS A 106 -4.193 -4.191 5.335 1.00 0.00 H new ATOM 0 HB3 LYS A 106 -3.456 -5.671 4.753 1.00 0.00 H new ATOM 0 HG2 LYS A 106 -3.173 -6.527 6.965 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -3.492 -4.967 7.697 1.00 0.00 H new ATOM 0 HD2 LYS A 106 -5.833 -5.066 6.713 1.00 0.00 H new ATOM 0 HD3 LYS A 106 -5.487 -6.700 6.183 1.00 0.00 H new ATOM 0 HE2 LYS A 106 -5.154 -7.447 8.481 1.00 0.00 H new ATOM 0 HE3 LYS A 106 -5.264 -5.804 9.082 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 -7.340 -6.848 9.448 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 -7.577 -5.750 8.175 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 -7.438 -7.410 7.849 1.00 0.00 H new ATOM 1697 N CYS A 107 -0.365 -5.980 5.630 1.00 0.00 N ATOM 1698 CA CYS A 107 0.683 -6.797 6.226 1.00 0.00 C ATOM 1699 C CYS A 107 1.875 -5.944 6.650 1.00 0.00 C ATOM 1700 O CYS A 107 2.448 -6.147 7.722 1.00 0.00 O ATOM 1701 CB CYS A 107 1.128 -7.876 5.230 1.00 0.00 C ATOM 1702 SG CYS A 107 2.685 -8.726 5.662 1.00 0.00 S ATOM 0 H CYS A 107 -0.558 -6.199 4.653 1.00 0.00 H new ATOM 0 HA CYS A 107 0.280 -7.274 7.120 1.00 0.00 H new ATOM 0 HB2 CYS A 107 0.336 -8.620 5.145 1.00 0.00 H new ATOM 0 HB3 CYS A 107 1.242 -7.418 4.247 1.00 0.00 H new ATOM 1707 N PHE A 108 2.236 -4.984 5.808 1.00 0.00 N ATOM 1708 CA PHE A 108 3.415 -4.167 6.041 1.00 0.00 C ATOM 1709 C PHE A 108 3.150 -3.116 7.119 1.00 0.00 C ATOM 1710 O PHE A 108 3.918 -2.994 8.074 1.00 0.00 O ATOM 1711 CB PHE A 108 3.848 -3.503 4.735 1.00 0.00 C ATOM 1712 CG PHE A 108 5.214 -2.874 4.794 1.00 0.00 C ATOM 1713 CD1 PHE A 108 6.337 -3.590 4.405 1.00 0.00 C ATOM 1714 CD2 PHE A 108 5.378 -1.570 5.233 1.00 0.00 C ATOM 1715 CE1 PHE A 108 7.592 -3.016 4.453 1.00 0.00 C ATOM 1716 CE2 PHE A 108 6.632 -0.992 5.284 1.00 0.00 C ATOM 1717 CZ PHE A 108 7.740 -1.716 4.893 1.00 0.00 C ATOM 0 H PHE A 108 1.726 -4.753 4.955 1.00 0.00 H new ATOM 0 HA PHE A 108 4.220 -4.810 6.397 1.00 0.00 H new ATOM 0 HB2 PHE A 108 3.836 -4.247 3.939 1.00 0.00 H new ATOM 0 HB3 PHE A 108 3.118 -2.739 4.468 1.00 0.00 H new ATOM 0 HD1 PHE A 108 6.228 -4.608 4.061 1.00 0.00 H new ATOM 0 HD2 PHE A 108 4.515 -0.998 5.539 1.00 0.00 H new ATOM 0 HE1 PHE A 108 8.458 -3.584 4.146 1.00 0.00 H new ATOM 0 HE2 PHE A 108 6.745 0.025 5.629 1.00 0.00 H new ATOM 0 HZ PHE A 108 8.721 -1.266 4.931 1.00 0.00 H new ATOM 1727 N GLN A 109 2.051 -2.372 6.976 1.00 0.00 N ATOM 1728 CA GLN A 109 1.706 -1.316 7.930 1.00 0.00 C ATOM 1729 C GLN A 109 1.478 -1.893 9.322 1.00 0.00 C ATOM 1730 O GLN A 109 1.612 -1.192 10.324 1.00 0.00 O ATOM 1731 CB GLN A 109 0.466 -0.540 7.463 1.00 0.00 C ATOM 1732 CG GLN A 109 -0.837 -1.331 7.483 1.00 0.00 C ATOM 1733 CD GLN A 109 -1.696 -1.040 8.705 1.00 0.00 C ATOM 1734 OE1 GLN A 109 -1.193 -0.707 9.773 1.00 0.00 O ATOM 1735 NE2 GLN A 109 -3.006 -1.166 8.554 1.00 0.00 N ATOM 0 H GLN A 109 1.386 -2.481 6.210 1.00 0.00 H new ATOM 0 HA GLN A 109 2.546 -0.624 7.979 1.00 0.00 H new ATOM 0 HB2 GLN A 109 0.348 0.340 8.095 1.00 0.00 H new ATOM 0 HB3 GLN A 109 0.641 -0.183 6.448 1.00 0.00 H new ATOM 0 HG2 GLN A 109 -1.407 -1.102 6.583 1.00 0.00 H new ATOM 0 HG3 GLN A 109 -0.608 -2.396 7.453 1.00 0.00 H new ATOM 0 HE21 GLN A 109 -3.391 -1.445 7.651 1.00 0.00 H new ATOM 0 HE22 GLN A 109 -3.630 -0.984 9.340 1.00 0.00 H new ATOM 1744 N LYS A 110 1.158 -3.181 9.368 1.00 0.00 N ATOM 1745 CA LYS A 110 0.894 -3.877 10.615 1.00 0.00 C ATOM 1746 C LYS A 110 2.088 -3.775 11.559 1.00 0.00 C ATOM 1747 O LYS A 110 1.927 -3.686 12.775 1.00 0.00 O ATOM 1748 CB LYS A 110 0.580 -5.342 10.309 1.00 0.00 C ATOM 1749 CG LYS A 110 0.301 -6.189 11.530 1.00 0.00 C ATOM 1750 CD LYS A 110 -0.059 -7.611 11.140 1.00 0.00 C ATOM 1751 CE LYS A 110 -0.302 -8.484 12.359 1.00 0.00 C ATOM 1752 NZ LYS A 110 -1.471 -8.026 13.153 1.00 0.00 N ATOM 0 H LYS A 110 1.075 -3.770 8.539 1.00 0.00 H new ATOM 0 HA LYS A 110 0.040 -3.414 11.110 1.00 0.00 H new ATOM 0 HB2 LYS A 110 -0.285 -5.385 9.647 1.00 0.00 H new ATOM 0 HB3 LYS A 110 1.420 -5.775 9.765 1.00 0.00 H new ATOM 0 HG2 LYS A 110 1.177 -6.197 12.178 1.00 0.00 H new ATOM 0 HG3 LYS A 110 -0.515 -5.748 12.103 1.00 0.00 H new ATOM 0 HD2 LYS A 110 -0.952 -7.602 10.515 1.00 0.00 H new ATOM 0 HD3 LYS A 110 0.745 -8.039 10.541 1.00 0.00 H new ATOM 0 HE2 LYS A 110 -0.463 -9.514 12.040 1.00 0.00 H new ATOM 0 HE3 LYS A 110 0.587 -8.480 12.989 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 -1.703 -8.740 13.873 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 -1.242 -7.125 13.620 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 -2.287 -7.891 12.523 1.00 0.00 H new ATOM 1766 N ASN A 111 3.285 -3.767 10.992 1.00 0.00 N ATOM 1767 CA ASN A 111 4.500 -3.712 11.792 1.00 0.00 C ATOM 1768 C ASN A 111 5.264 -2.422 11.537 1.00 0.00 C ATOM 1769 O ASN A 111 5.936 -1.901 12.428 1.00 0.00 O ATOM 1770 CB ASN A 111 5.398 -4.911 11.486 1.00 0.00 C ATOM 1771 CG ASN A 111 4.705 -6.235 11.740 1.00 0.00 C ATOM 1772 OD1 ASN A 111 4.067 -6.798 10.851 1.00 0.00 O ATOM 1773 ND2 ASN A 111 4.821 -6.742 12.955 1.00 0.00 N ATOM 0 H ASN A 111 3.441 -3.798 9.985 1.00 0.00 H new ATOM 0 HA ASN A 111 4.208 -3.742 12.842 1.00 0.00 H new ATOM 0 HB2 ASN A 111 5.717 -4.865 10.445 1.00 0.00 H new ATOM 0 HB3 ASN A 111 6.298 -4.852 12.098 1.00 0.00 H new ATOM 0 HD21 ASN A 111 4.373 -7.630 13.182 1.00 0.00 H new ATOM 0 HD22 ASN A 111 5.359 -6.246 13.666 1.00 0.00 H new ATOM 1780 N ASN A 112 5.141 -1.893 10.330 1.00 0.00 N ATOM 1781 CA ASN A 112 5.962 -0.764 9.915 1.00 0.00 C ATOM 1782 C ASN A 112 5.112 0.357 9.330 1.00 0.00 C ATOM 1783 O ASN A 112 5.233 0.682 8.150 1.00 0.00 O ATOM 1784 CB ASN A 112 6.994 -1.219 8.882 1.00 0.00 C ATOM 1785 CG ASN A 112 8.002 -2.203 9.441 1.00 0.00 C ATOM 1786 OD1 ASN A 112 8.433 -2.092 10.587 1.00 0.00 O ATOM 1787 ND2 ASN A 112 8.359 -3.196 8.643 1.00 0.00 N ATOM 0 H ASN A 112 4.485 -2.224 9.623 1.00 0.00 H new ATOM 0 HA ASN A 112 6.472 -0.380 10.798 1.00 0.00 H new ATOM 0 HB2 ASN A 112 6.477 -1.677 8.039 1.00 0.00 H new ATOM 0 HB3 ASN A 112 7.522 -0.347 8.497 1.00 0.00 H new ATOM 0 HD21 ASN A 112 9.014 -3.905 8.973 1.00 0.00 H new ATOM 0 HD22 ASN A 112 7.979 -3.253 7.698 1.00 0.00 H new ATOM 1794 N LEU A 113 4.258 0.954 10.150 1.00 0.00 N ATOM 1795 CA LEU A 113 3.400 2.036 9.677 1.00 0.00 C ATOM 1796 C LEU A 113 4.113 3.384 9.764 1.00 0.00 C ATOM 1797 O LEU A 113 3.873 4.277 8.950 1.00 0.00 O ATOM 1798 CB LEU A 113 2.085 2.086 10.460 1.00 0.00 C ATOM 1799 CG LEU A 113 1.182 3.274 10.125 1.00 0.00 C ATOM 1800 CD1 LEU A 113 0.719 3.197 8.680 1.00 0.00 C ATOM 1801 CD2 LEU A 113 -0.011 3.316 11.063 1.00 0.00 C ATOM 0 H LEU A 113 4.140 0.713 11.134 1.00 0.00 H new ATOM 0 HA LEU A 113 3.170 1.832 8.631 1.00 0.00 H new ATOM 0 HB2 LEU A 113 1.533 1.165 10.274 1.00 0.00 H new ATOM 0 HB3 LEU A 113 2.314 2.111 11.525 1.00 0.00 H new ATOM 0 HG LEU A 113 1.756 4.191 10.256 1.00 0.00 H new ATOM 0 HD11 LEU A 113 0.077 4.050 8.458 1.00 0.00 H new ATOM 0 HD12 LEU A 113 1.586 3.213 8.019 1.00 0.00 H new ATOM 0 HD13 LEU A 113 0.161 2.273 8.525 1.00 0.00 H new ATOM 0 HD21 LEU A 113 -0.643 4.168 10.810 1.00 0.00 H new ATOM 0 HD22 LEU A 113 -0.586 2.395 10.962 1.00 0.00 H new ATOM 0 HD23 LEU A 113 0.338 3.415 12.091 1.00 0.00 H new ATOM 1813 N SER A 114 5.003 3.525 10.738 1.00 0.00 N ATOM 1814 CA SER A 114 5.714 4.788 10.926 1.00 0.00 C ATOM 1815 C SER A 114 6.626 5.056 9.733 1.00 0.00 C ATOM 1816 O SER A 114 6.793 6.203 9.313 1.00 0.00 O ATOM 1817 CB SER A 114 6.521 4.780 12.231 1.00 0.00 C ATOM 1818 OG SER A 114 7.032 6.071 12.524 1.00 0.00 O ATOM 0 H SER A 114 5.249 2.792 11.403 1.00 0.00 H new ATOM 0 HA SER A 114 4.978 5.589 10.996 1.00 0.00 H new ATOM 0 HB2 SER A 114 5.888 4.441 13.051 1.00 0.00 H new ATOM 0 HB3 SER A 114 7.344 4.070 12.149 1.00 0.00 H new ATOM 0 HG SER A 114 7.541 6.039 13.361 1.00 0.00 H new ATOM 1824 N LEU A 115 7.195 3.989 9.181 1.00 0.00 N ATOM 1825 CA LEU A 115 8.025 4.090 7.990 1.00 0.00 C ATOM 1826 C LEU A 115 7.202 4.595 6.813 1.00 0.00 C ATOM 1827 O LEU A 115 7.689 5.355 5.982 1.00 0.00 O ATOM 1828 CB LEU A 115 8.626 2.730 7.647 1.00 0.00 C ATOM 1829 CG LEU A 115 9.560 2.719 6.439 1.00 0.00 C ATOM 1830 CD1 LEU A 115 10.797 3.549 6.725 1.00 0.00 C ATOM 1831 CD2 LEU A 115 9.937 1.293 6.066 1.00 0.00 C ATOM 0 H LEU A 115 7.094 3.041 9.543 1.00 0.00 H new ATOM 0 HA LEU A 115 8.830 4.796 8.192 1.00 0.00 H new ATOM 0 HB2 LEU A 115 9.175 2.364 8.514 1.00 0.00 H new ATOM 0 HB3 LEU A 115 7.813 2.027 7.464 1.00 0.00 H new ATOM 0 HG LEU A 115 9.038 3.161 5.590 1.00 0.00 H new ATOM 0 HD11 LEU A 115 11.455 3.533 5.856 1.00 0.00 H new ATOM 0 HD12 LEU A 115 10.504 4.577 6.940 1.00 0.00 H new ATOM 0 HD13 LEU A 115 11.322 3.134 7.585 1.00 0.00 H new ATOM 0 HD21 LEU A 115 10.603 1.307 5.203 1.00 0.00 H new ATOM 0 HD22 LEU A 115 10.443 0.818 6.907 1.00 0.00 H new ATOM 0 HD23 LEU A 115 9.036 0.731 5.820 1.00 0.00 H new ATOM 1843 N ILE A 116 5.944 4.175 6.764 1.00 0.00 N ATOM 1844 CA ILE A 116 5.043 4.569 5.693 1.00 0.00 C ATOM 1845 C ILE A 116 4.742 6.064 5.779 1.00 0.00 C ATOM 1846 O ILE A 116 4.696 6.762 4.764 1.00 0.00 O ATOM 1847 CB ILE A 116 3.726 3.760 5.746 1.00 0.00 C ATOM 1848 CG1 ILE A 116 4.021 2.261 5.638 1.00 0.00 C ATOM 1849 CG2 ILE A 116 2.779 4.198 4.639 1.00 0.00 C ATOM 1850 CD1 ILE A 116 2.780 1.398 5.636 1.00 0.00 C ATOM 0 H ILE A 116 5.524 3.558 7.459 1.00 0.00 H new ATOM 0 HA ILE A 116 5.535 4.357 4.744 1.00 0.00 H new ATOM 0 HB ILE A 116 3.241 3.953 6.703 1.00 0.00 H new ATOM 0 HG12 ILE A 116 4.584 2.075 4.723 1.00 0.00 H new ATOM 0 HG13 ILE A 116 4.659 1.964 6.471 1.00 0.00 H new ATOM 0 HG21 ILE A 116 1.859 3.616 4.695 1.00 0.00 H new ATOM 0 HG22 ILE A 116 2.546 5.256 4.757 1.00 0.00 H new ATOM 0 HG23 ILE A 116 3.252 4.036 3.670 1.00 0.00 H new ATOM 0 HD11 ILE A 116 3.066 0.349 5.557 1.00 0.00 H new ATOM 0 HD12 ILE A 116 2.227 1.554 6.562 1.00 0.00 H new ATOM 0 HD13 ILE A 116 2.151 1.667 4.788 1.00 0.00 H new ATOM 1862 N LYS A 117 4.562 6.547 7.002 1.00 0.00 N ATOM 1863 CA LYS A 117 4.328 7.964 7.247 1.00 0.00 C ATOM 1864 C LYS A 117 5.546 8.787 6.840 1.00 0.00 C ATOM 1865 O LYS A 117 5.424 9.807 6.165 1.00 0.00 O ATOM 1866 CB LYS A 117 4.011 8.211 8.723 1.00 0.00 C ATOM 1867 CG LYS A 117 2.659 7.666 9.160 1.00 0.00 C ATOM 1868 CD LYS A 117 2.390 7.942 10.633 1.00 0.00 C ATOM 1869 CE LYS A 117 1.012 7.458 11.055 1.00 0.00 C ATOM 1870 NZ LYS A 117 0.765 7.692 12.501 1.00 0.00 N ATOM 0 H LYS A 117 4.574 5.973 7.845 1.00 0.00 H new ATOM 0 HA LYS A 117 3.473 8.273 6.645 1.00 0.00 H new ATOM 0 HB2 LYS A 117 4.791 7.755 9.334 1.00 0.00 H new ATOM 0 HB3 LYS A 117 4.040 9.283 8.917 1.00 0.00 H new ATOM 0 HG2 LYS A 117 1.872 8.117 8.556 1.00 0.00 H new ATOM 0 HG3 LYS A 117 2.624 6.592 8.979 1.00 0.00 H new ATOM 0 HD2 LYS A 117 3.150 7.450 11.240 1.00 0.00 H new ATOM 0 HD3 LYS A 117 2.474 9.012 10.824 1.00 0.00 H new ATOM 0 HE2 LYS A 117 0.251 7.972 10.468 1.00 0.00 H new ATOM 0 HE3 LYS A 117 0.918 6.394 10.837 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 -0.184 7.349 12.751 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 1.476 7.181 13.062 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 0.830 8.710 12.704 1.00 0.00 H new ATOM 1884 N ALA A 118 6.719 8.325 7.253 1.00 0.00 N ATOM 1885 CA ALA A 118 7.970 9.004 6.945 1.00 0.00 C ATOM 1886 C ALA A 118 8.307 8.918 5.460 1.00 0.00 C ATOM 1887 O ALA A 118 8.949 9.810 4.909 1.00 0.00 O ATOM 1888 CB ALA A 118 9.088 8.402 7.768 1.00 0.00 C ATOM 0 H ALA A 118 6.830 7.476 7.807 1.00 0.00 H new ATOM 0 HA ALA A 118 7.855 10.059 7.195 1.00 0.00 H new ATOM 0 HB1 ALA A 118 10.024 8.910 7.537 1.00 0.00 H new ATOM 0 HB2 ALA A 118 8.863 8.519 8.828 1.00 0.00 H new ATOM 0 HB3 ALA A 118 9.183 7.342 7.532 1.00 0.00 H new ATOM 1894 N SER A 119 7.886 7.834 4.827 1.00 0.00 N ATOM 1895 CA SER A 119 8.138 7.616 3.409 1.00 0.00 C ATOM 1896 C SER A 119 7.541 8.736 2.553 1.00 0.00 C ATOM 1897 O SER A 119 8.202 9.259 1.655 1.00 0.00 O ATOM 1898 CB SER A 119 7.570 6.259 2.979 1.00 0.00 C ATOM 1899 OG SER A 119 7.844 5.993 1.618 1.00 0.00 O ATOM 0 H SER A 119 7.363 7.084 5.278 1.00 0.00 H new ATOM 0 HA SER A 119 9.217 7.621 3.254 1.00 0.00 H new ATOM 0 HB2 SER A 119 7.998 5.471 3.599 1.00 0.00 H new ATOM 0 HB3 SER A 119 6.493 6.245 3.144 1.00 0.00 H new ATOM 0 HG SER A 119 8.813 6.003 1.471 1.00 0.00 H new ATOM 1905 N ILE A 120 6.298 9.112 2.843 1.00 0.00 N ATOM 1906 CA ILE A 120 5.615 10.147 2.072 1.00 0.00 C ATOM 1907 C ILE A 120 5.929 11.537 2.615 1.00 0.00 C ATOM 1908 O ILE A 120 5.430 12.547 2.110 1.00 0.00 O ATOM 1909 CB ILE A 120 4.087 9.944 2.062 1.00 0.00 C ATOM 1910 CG1 ILE A 120 3.544 9.863 3.488 1.00 0.00 C ATOM 1911 CG2 ILE A 120 3.730 8.690 1.284 1.00 0.00 C ATOM 1912 CD1 ILE A 120 2.038 9.953 3.561 1.00 0.00 C ATOM 0 H ILE A 120 5.745 8.717 3.604 1.00 0.00 H new ATOM 0 HA ILE A 120 5.985 10.064 1.050 1.00 0.00 H new ATOM 0 HB ILE A 120 3.627 10.802 1.571 1.00 0.00 H new ATOM 0 HG12 ILE A 120 3.867 8.925 3.939 1.00 0.00 H new ATOM 0 HG13 ILE A 120 3.978 10.668 4.081 1.00 0.00 H new ATOM 0 HG21 ILE A 120 2.648 8.557 1.284 1.00 0.00 H new ATOM 0 HG22 ILE A 120 4.084 8.786 0.257 1.00 0.00 H new ATOM 0 HG23 ILE A 120 4.202 7.825 1.751 1.00 0.00 H new ATOM 0 HD11 ILE A 120 1.720 9.889 4.602 1.00 0.00 H new ATOM 0 HD12 ILE A 120 1.709 10.903 3.139 1.00 0.00 H new ATOM 0 HD13 ILE A 120 1.597 9.132 2.995 1.00 0.00 H new ATOM 1924 N LYS A 121 6.741 11.577 3.659 1.00 0.00 N ATOM 1925 CA LYS A 121 7.165 12.828 4.252 1.00 0.00 C ATOM 1926 C LYS A 121 8.455 13.290 3.586 1.00 0.00 C ATOM 1927 O LYS A 121 9.438 12.549 3.534 1.00 0.00 O ATOM 1928 CB LYS A 121 7.355 12.637 5.761 1.00 0.00 C ATOM 1929 CG LYS A 121 7.501 13.929 6.561 1.00 0.00 C ATOM 1930 CD LYS A 121 8.903 14.510 6.476 1.00 0.00 C ATOM 1931 CE LYS A 121 9.037 15.755 7.336 1.00 0.00 C ATOM 1932 NZ LYS A 121 8.740 15.475 8.766 1.00 0.00 N ATOM 0 H LYS A 121 7.121 10.747 4.114 1.00 0.00 H new ATOM 0 HA LYS A 121 6.406 13.595 4.098 1.00 0.00 H new ATOM 0 HB2 LYS A 121 6.504 12.080 6.152 1.00 0.00 H new ATOM 0 HB3 LYS A 121 8.241 12.023 5.926 1.00 0.00 H new ATOM 0 HG2 LYS A 121 6.784 14.663 6.194 1.00 0.00 H new ATOM 0 HG3 LYS A 121 7.254 13.736 7.605 1.00 0.00 H new ATOM 0 HD2 LYS A 121 9.629 13.763 6.798 1.00 0.00 H new ATOM 0 HD3 LYS A 121 9.136 14.754 5.440 1.00 0.00 H new ATOM 0 HE2 LYS A 121 10.048 16.151 7.246 1.00 0.00 H new ATOM 0 HE3 LYS A 121 8.359 16.525 6.968 1.00 0.00 H new ATOM 0 HZ1 LYS A 121 9.126 16.239 9.357 1.00 0.00 H new ATOM 0 HZ2 LYS A 121 7.710 15.419 8.902 1.00 0.00 H new ATOM 0 HZ3 LYS A 121 9.175 14.571 9.041 1.00 0.00 H new ATOM 1946 N LYS A 122 8.449 14.508 3.072 1.00 0.00 N ATOM 1947 CA LYS A 122 9.606 15.044 2.376 1.00 0.00 C ATOM 1948 C LYS A 122 9.695 16.548 2.597 1.00 0.00 C ATOM 1949 O LYS A 122 9.064 17.340 1.894 1.00 0.00 O ATOM 1950 CB LYS A 122 9.532 14.665 0.885 1.00 0.00 C ATOM 1951 CG LYS A 122 10.376 15.499 -0.079 1.00 0.00 C ATOM 1952 CD LYS A 122 11.853 15.115 -0.042 1.00 0.00 C ATOM 1953 CE LYS A 122 12.626 15.914 0.992 1.00 0.00 C ATOM 1954 NZ LYS A 122 12.725 17.351 0.619 1.00 0.00 N ATOM 0 H LYS A 122 7.654 15.145 3.124 1.00 0.00 H new ATOM 0 HA LYS A 122 10.522 14.610 2.777 1.00 0.00 H new ATOM 0 HB2 LYS A 122 9.831 13.622 0.784 1.00 0.00 H new ATOM 0 HB3 LYS A 122 8.491 14.730 0.569 1.00 0.00 H new ATOM 0 HG2 LYS A 122 9.996 15.373 -1.093 1.00 0.00 H new ATOM 0 HG3 LYS A 122 10.272 16.555 0.171 1.00 0.00 H new ATOM 0 HD2 LYS A 122 11.945 14.052 0.179 1.00 0.00 H new ATOM 0 HD3 LYS A 122 12.293 15.275 -1.026 1.00 0.00 H new ATOM 0 HE2 LYS A 122 12.137 15.823 1.962 1.00 0.00 H new ATOM 0 HE3 LYS A 122 13.627 15.497 1.100 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 13.107 17.892 1.421 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 13.357 17.454 -0.201 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 11.781 17.712 0.376 1.00 0.00 H new ATOM 1968 N ASP A 123 10.463 16.930 3.603 1.00 0.00 N ATOM 1969 CA ASP A 123 10.614 18.329 3.972 1.00 0.00 C ATOM 1970 C ASP A 123 11.727 18.972 3.159 1.00 0.00 C ATOM 1971 O ASP A 123 11.462 19.996 2.500 1.00 0.00 O ATOM 1972 CB ASP A 123 10.884 18.473 5.478 1.00 0.00 C ATOM 1973 CG ASP A 123 12.167 17.805 5.933 1.00 0.00 C ATOM 1974 OD1 ASP A 123 12.227 16.559 5.934 1.00 0.00 O ATOM 1975 OD2 ASP A 123 13.117 18.523 6.319 1.00 0.00 O ATOM 1976 OXT ASP A 123 12.847 18.422 3.131 1.00 0.00 O ATOM 0 H ASP A 123 10.997 16.284 4.185 1.00 0.00 H new ATOM 0 HA ASP A 123 9.681 18.846 3.749 1.00 0.00 H new ATOM 0 HB2 ASP A 123 10.927 19.532 5.731 1.00 0.00 H new ATOM 0 HB3 ASP A 123 10.047 18.047 6.031 1.00 0.00 H new TER 1981 ASP A 123 HETATM 1982 C1 ACD A 201 -4.777 7.117 2.212 1.00 0.00 C HETATM 1983 C2 ACD A 201 -4.042 5.814 1.983 1.00 0.00 C HETATM 1984 C3 ACD A 201 -2.922 6.030 0.971 1.00 0.00 C HETATM 1985 C4 ACD A 201 -2.225 4.714 0.619 1.00 0.00 C HETATM 1986 C5 ACD A 201 -1.571 4.141 1.844 1.00 0.00 C HETATM 1987 C6 ACD A 201 -0.304 4.390 2.079 1.00 0.00 C HETATM 1988 C7 ACD A 201 0.445 5.341 1.178 1.00 0.00 C HETATM 1989 C8 ACD A 201 1.695 5.839 1.858 1.00 0.00 C HETATM 1990 C9 ACD A 201 2.864 5.339 1.535 1.00 0.00 C HETATM 1991 C10 ACD A 201 2.971 4.312 0.438 1.00 0.00 C HETATM 1992 C11 ACD A 201 4.384 3.789 0.366 1.00 0.00 C HETATM 1993 C12 ACD A 201 4.610 2.509 0.201 1.00 0.00 C HETATM 1994 C13 ACD A 201 3.469 1.561 -0.026 1.00 0.00 C HETATM 1995 C14 ACD A 201 2.998 1.039 1.305 1.00 0.00 C HETATM 1996 C15 ACD A 201 2.973 -0.250 1.538 1.00 0.00 C HETATM 1997 C16 ACD A 201 3.522 -1.211 0.515 1.00 0.00 C HETATM 1998 C17 ACD A 201 3.668 -2.600 1.130 1.00 0.00 C HETATM 1999 C18 ACD A 201 3.906 -3.661 0.055 1.00 0.00 C HETATM 2000 C19 ACD A 201 4.056 -5.046 0.687 1.00 0.00 C HETATM 2001 C20 ACD A 201 4.130 -6.138 -0.382 1.00 0.00 C HETATM 2002 O1 ACD A 201 -6.000 7.144 2.016 1.00 0.00 O HETATM 2003 O2 ACD A 201 -4.134 8.117 2.589 1.00 0.00 O HETATM 0 H203 ACD A 201 3.218 -6.126 -0.978 1.00 0.00 H new HETATM 0 H202 ACD A 201 4.989 -5.957 -1.028 1.00 0.00 H new HETATM 0 H201 ACD A 201 4.236 -7.111 0.098 1.00 0.00 H new HETATM 0 H192 ACD A 201 4.956 -5.073 1.301 1.00 0.00 H new HETATM 0 H191 ACD A 201 3.213 -5.239 1.350 1.00 0.00 H new HETATM 0 H182 ACD A 201 3.074 -3.665 -0.649 1.00 0.00 H new HETATM 0 H181 ACD A 201 4.803 -3.416 -0.513 1.00 0.00 H new HETATM 0 H172 ACD A 201 4.498 -2.602 1.836 1.00 0.00 H new HETATM 0 H171 ACD A 201 2.769 -2.846 1.695 1.00 0.00 H new HETATM 0 H162 ACD A 201 2.858 -1.254 -0.348 1.00 0.00 H new HETATM 0 H161 ACD A 201 4.489 -0.860 0.156 1.00 0.00 H new HETATM 0 H132 ACD A 201 2.654 2.069 -0.542 1.00 0.00 H new HETATM 0 H131 ACD A 201 3.785 0.736 -0.664 1.00 0.00 H new HETATM 0 H102 ACD A 201 2.279 3.491 0.626 1.00 0.00 H new HETATM 0 H101 ACD A 201 2.688 4.755 -0.517 1.00 0.00 H new HETATM 0 HO2 ACD A 201 -4.092 8.772 1.862 1.00 0.00 H new HETATM 0 H9 ACD A 201 3.760 5.667 2.062 1.00 0.00 H new HETATM 0 H8 ACD A 201 1.627 6.616 2.619 1.00 0.00 H new HETATM 0 H72 ACD A 201 0.706 4.839 0.246 1.00 0.00 H new HETATM 0 H71 ACD A 201 -0.195 6.184 0.917 1.00 0.00 H new HETATM 0 H6 ACD A 201 0.203 3.914 2.918 1.00 0.00 H new HETATM 0 H5 ACD A 201 -2.145 3.522 2.534 1.00 0.00 H new HETATM 0 H42 ACD A 201 -2.948 4.005 0.216 1.00 0.00 H new HETATM 0 H41 ACD A 201 -1.479 4.883 -0.157 1.00 0.00 H new HETATM 0 H32 ACD A 201 -3.329 6.481 0.066 1.00 0.00 H new HETATM 0 H31 ACD A 201 -2.194 6.732 1.377 1.00 0.00 H new HETATM 0 H22 ACD A 201 -3.631 5.447 2.923 1.00 0.00 H new HETATM 0 H21 ACD A 201 -4.733 5.054 1.619 1.00 0.00 H new HETATM 0 H15 ACD A 201 2.555 -0.627 2.471 1.00 0.00 H new HETATM 0 H14 ACD A 201 2.676 1.737 2.078 1.00 0.00 H new HETATM 0 H12 ACD A 201 5.632 2.131 0.229 1.00 0.00 H new HETATM 0 H11 ACD A 201 5.222 4.480 0.452 1.00 0.00 H new