USER MOD reduce.3.24.130724 H: found=0, std=0, add=618, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 617 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 16 TYR OH : rot 15:sc= -0.102 USER MOD Set 1.2: A 65 ASN : amide:sc= -2.12 K(o=0.89,f=0.15) USER MOD Set 1.3: A 68 SER OG : rot -133:sc= 1.95 USER MOD Set 1.4: A 72 LYS NZ :NH3+ 144:sc= 1.16 (180deg=0) USER MOD Set 2.1: A 45 GLN : amide:sc= -5.32! K(o=-3.2!,f=-5.7) USER MOD Set 2.2: A 49 ASN : amide:sc= 0.717 K(o=-3.2,f=-5.7!) USER MOD Set 2.3: A 52 LYS NZ :NH3+ 152:sc= 1.44 (180deg=1.32) USER MOD Set 3.1: A 35 HIS : no HE2:sc= -6.41! C(o=-6.1!,f=-11!) USER MOD Set 3.2: A 39 GLN :FLIP amide:sc= 0.543 F(o=-17!,f=-6.1) USER MOD Set 3.3: A 79 TYR OH : rot -156:sc= -0.222 USER MOD Set 4.1: A 5 GLN : amide:sc= 0 K(o=-0.11,f=-0.93!) USER MOD Set 4.2: A 37 GLN : amide:sc= -0.112 K(o=-0.11,f=-0.63) USER MOD Single : A 2 ASN : amide:sc= -0.182 K(o=-0.18,f=-8.7!) USER MOD Single : A 8 SER OG : rot 89:sc= 1.13 USER MOD Single : A 9 LYS NZ :NH3+ 149:sc= -4.3! (180deg=-5.71!) USER MOD Single : A 10 MET CE :methyl 142:sc= -2.06! (180deg=-4.35!) USER MOD Single : A 11 LYS NZ :NH3+ -136:sc=-0.000994 (180deg=-2.08!) USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 GLN :FLIP amide:sc= -3.46 F(o=-5.1!,f=-3.5) USER MOD Single : A 24 SER OG : rot 112:sc= 1.13 USER MOD Single : A 29 ASN : amide:sc= 0 K(o=0,f=-0.93) USER MOD Single : A 36 ASN : amide:sc= -2.17 K(o=-2.2,f=-8.7!) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 180:sc= -0.459 USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 HIS : no HD1:sc= -1.25 K(o=-1.2,f=-4.9!) USER MOD Single : A 60 ASN :FLIP amide:sc= -0.595 F(o=-1.2!,f=-0.59) USER MOD Single : A 62 ASN :FLIP amide:sc= -1.44 F(o=-2.1!,f=-1.4) USER MOD Single : A 64 ASN : amide:sc= -0.595 K(o=-0.6,f=-2.8!) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 74 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 76 ASN :FLIP amide:sc= -0.481 F(o=-2.4!,f=-0.48) USER MOD Single : A 80 THR OG1 : rot 105:sc= 0.46 USER MOD Single : A 82 SER OG : rot 75:sc= 1.18 USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 22 N ASN A 2 -7.631 0.170 10.718 1.00 0.00 N ATOM 23 CA ASN A 2 -7.677 1.659 10.801 1.00 0.00 C ATOM 24 C ASN A 2 -6.475 2.286 10.039 1.00 0.00 C ATOM 25 O ASN A 2 -5.419 1.700 9.882 1.00 0.00 O ATOM 26 CB ASN A 2 -7.670 2.033 12.308 1.00 0.00 C ATOM 27 CG ASN A 2 -7.775 3.541 12.483 1.00 0.00 C ATOM 28 OD1 ASN A 2 -6.891 4.278 12.109 1.00 0.00 O ATOM 29 ND2 ASN A 2 -8.815 4.063 13.035 1.00 0.00 N ATOM 0 HA ASN A 2 -8.577 2.053 10.328 1.00 0.00 H new ATOM 0 HB2 ASN A 2 -8.502 1.543 12.814 1.00 0.00 H new ATOM 0 HB3 ASN A 2 -6.754 1.670 12.775 1.00 0.00 H new ATOM 0 HD21 ASN A 2 -8.879 5.075 13.148 1.00 0.00 H new ATOM 0 HD22 ASN A 2 -9.575 3.465 13.359 1.00 0.00 H new ATOM 36 N CYS A 3 -6.698 3.490 9.596 1.00 0.00 N ATOM 37 CA CYS A 3 -5.685 4.295 8.839 1.00 0.00 C ATOM 38 C CYS A 3 -4.335 4.404 9.556 1.00 0.00 C ATOM 39 O CYS A 3 -3.277 4.375 8.960 1.00 0.00 O ATOM 40 CB CYS A 3 -6.327 5.642 8.625 1.00 0.00 C ATOM 41 SG CYS A 3 -7.635 5.586 7.383 1.00 0.00 S ATOM 0 H CYS A 3 -7.584 3.976 9.733 1.00 0.00 H new ATOM 0 HA CYS A 3 -5.434 3.809 7.896 1.00 0.00 H new ATOM 0 HB2 CYS A 3 -6.740 6.000 9.568 1.00 0.00 H new ATOM 0 HB3 CYS A 3 -5.567 6.360 8.317 1.00 0.00 H new ATOM 46 N GLY A 4 -4.412 4.527 10.854 1.00 0.00 N ATOM 47 CA GLY A 4 -3.158 4.637 11.658 1.00 0.00 C ATOM 48 C GLY A 4 -2.410 3.322 11.580 1.00 0.00 C ATOM 49 O GLY A 4 -1.205 3.358 11.490 1.00 0.00 O ATOM 0 H GLY A 4 -5.280 4.556 11.389 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -2.536 5.448 11.278 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -3.394 4.876 12.695 1.00 0.00 H new ATOM 53 N GLN A 5 -3.103 2.210 11.616 1.00 0.00 N ATOM 54 CA GLN A 5 -2.415 0.864 11.525 1.00 0.00 C ATOM 55 C GLN A 5 -1.644 0.957 10.183 1.00 0.00 C ATOM 56 O GLN A 5 -0.454 0.719 10.073 1.00 0.00 O ATOM 57 CB GLN A 5 -3.531 -0.190 11.524 1.00 0.00 C ATOM 58 CG GLN A 5 -3.025 -1.664 11.470 1.00 0.00 C ATOM 59 CD GLN A 5 -4.235 -2.619 11.423 1.00 0.00 C ATOM 60 OE1 GLN A 5 -5.382 -2.223 11.387 1.00 0.00 O ATOM 61 NE2 GLN A 5 -4.039 -3.894 11.419 1.00 0.00 N ATOM 0 H GLN A 5 -4.118 2.167 11.705 1.00 0.00 H new ATOM 0 HA GLN A 5 -1.730 0.602 12.332 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -4.138 -0.060 12.420 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -4.183 -0.011 10.669 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -2.396 -1.812 10.592 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -2.410 -1.881 12.343 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -3.089 -4.264 11.448 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -4.834 -4.532 11.386 1.00 0.00 H new ATOM 70 N VAL A 6 -2.436 1.326 9.205 1.00 0.00 N ATOM 71 CA VAL A 6 -1.923 1.505 7.808 1.00 0.00 C ATOM 72 C VAL A 6 -0.659 2.375 7.785 1.00 0.00 C ATOM 73 O VAL A 6 0.380 1.831 7.501 1.00 0.00 O ATOM 74 CB VAL A 6 -3.092 2.121 6.963 1.00 0.00 C ATOM 75 CG1 VAL A 6 -2.686 3.352 6.139 1.00 0.00 C ATOM 76 CG2 VAL A 6 -3.594 1.110 5.963 1.00 0.00 C ATOM 0 H VAL A 6 -3.432 1.514 9.317 1.00 0.00 H new ATOM 0 HA VAL A 6 -1.623 0.549 7.378 1.00 0.00 H new ATOM 0 HB VAL A 6 -3.844 2.412 7.697 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -3.549 3.719 5.583 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -2.326 4.134 6.807 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -1.895 3.078 5.441 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -4.406 1.546 5.381 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -2.781 0.824 5.295 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -3.959 0.228 6.489 1.00 0.00 H new ATOM 86 N ASP A 7 -0.752 3.644 8.081 1.00 0.00 N ATOM 87 CA ASP A 7 0.430 4.539 8.074 1.00 0.00 C ATOM 88 C ASP A 7 1.501 3.982 9.016 1.00 0.00 C ATOM 89 O ASP A 7 2.616 3.826 8.574 1.00 0.00 O ATOM 90 CB ASP A 7 -0.172 5.955 8.419 1.00 0.00 C ATOM 91 CG ASP A 7 0.676 6.755 9.404 1.00 0.00 C ATOM 92 OD1 ASP A 7 0.652 6.325 10.543 1.00 0.00 O ATOM 93 OD2 ASP A 7 1.315 7.724 9.028 1.00 0.00 O ATOM 0 H ASP A 7 -1.626 4.105 8.334 1.00 0.00 H new ATOM 0 HA ASP A 7 0.970 4.617 7.130 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -0.282 6.528 7.498 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -1.171 5.824 8.835 1.00 0.00 H new ATOM 98 N SER A 8 1.170 3.695 10.244 1.00 0.00 N ATOM 99 CA SER A 8 2.169 3.132 11.219 1.00 0.00 C ATOM 100 C SER A 8 2.918 1.950 10.604 1.00 0.00 C ATOM 101 O SER A 8 4.037 1.670 10.986 1.00 0.00 O ATOM 102 CB SER A 8 1.459 2.660 12.478 1.00 0.00 C ATOM 103 OG SER A 8 0.929 3.870 13.000 1.00 0.00 O ATOM 0 H SER A 8 0.234 3.826 10.628 1.00 0.00 H new ATOM 0 HA SER A 8 2.880 3.920 11.466 1.00 0.00 H new ATOM 0 HB2 SER A 8 0.675 1.936 12.255 1.00 0.00 H new ATOM 0 HB3 SER A 8 2.146 2.182 13.177 1.00 0.00 H new ATOM 0 HG SER A 8 0.040 4.029 12.619 1.00 0.00 H new ATOM 109 N LYS A 9 2.274 1.287 9.674 1.00 0.00 N ATOM 110 CA LYS A 9 2.897 0.119 8.993 1.00 0.00 C ATOM 111 C LYS A 9 3.626 0.623 7.747 1.00 0.00 C ATOM 112 O LYS A 9 4.825 0.530 7.638 1.00 0.00 O ATOM 113 CB LYS A 9 1.778 -0.872 8.590 1.00 0.00 C ATOM 114 CG LYS A 9 2.350 -2.278 8.206 1.00 0.00 C ATOM 115 CD LYS A 9 3.577 -2.251 7.222 1.00 0.00 C ATOM 116 CE LYS A 9 3.235 -1.849 5.798 1.00 0.00 C ATOM 117 NZ LYS A 9 4.529 -1.801 5.070 1.00 0.00 N ATOM 0 H LYS A 9 1.331 1.512 9.357 1.00 0.00 H new ATOM 0 HA LYS A 9 3.605 -0.386 9.651 1.00 0.00 H new ATOM 0 HB2 LYS A 9 1.075 -0.980 9.416 1.00 0.00 H new ATOM 0 HB3 LYS A 9 1.220 -0.465 7.747 1.00 0.00 H new ATOM 0 HG2 LYS A 9 2.647 -2.794 9.119 1.00 0.00 H new ATOM 0 HG3 LYS A 9 1.552 -2.866 7.752 1.00 0.00 H new ATOM 0 HD2 LYS A 9 4.324 -1.559 7.612 1.00 0.00 H new ATOM 0 HD3 LYS A 9 4.036 -3.240 7.207 1.00 0.00 H new ATOM 0 HE2 LYS A 9 2.556 -2.568 5.341 1.00 0.00 H new ATOM 0 HE3 LYS A 9 2.737 -0.880 5.774 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 4.376 -2.053 4.073 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 4.924 -0.841 5.128 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 5.194 -2.476 5.499 1.00 0.00 H new ATOM 131 N MET A 10 2.896 1.149 6.814 1.00 0.00 N ATOM 132 CA MET A 10 3.480 1.666 5.551 1.00 0.00 C ATOM 133 C MET A 10 4.677 2.610 5.783 1.00 0.00 C ATOM 134 O MET A 10 5.716 2.408 5.192 1.00 0.00 O ATOM 135 CB MET A 10 2.356 2.386 4.756 1.00 0.00 C ATOM 136 CG MET A 10 1.069 1.513 4.521 1.00 0.00 C ATOM 137 SD MET A 10 1.119 -0.302 4.483 1.00 0.00 S ATOM 138 CE MET A 10 1.277 -0.645 2.714 1.00 0.00 C ATOM 0 H MET A 10 1.882 1.246 6.876 1.00 0.00 H new ATOM 0 HA MET A 10 3.875 0.823 4.984 1.00 0.00 H new ATOM 0 HB2 MET A 10 2.073 3.293 5.290 1.00 0.00 H new ATOM 0 HB3 MET A 10 2.752 2.696 3.789 1.00 0.00 H new ATOM 0 HG2 MET A 10 0.357 1.790 5.299 1.00 0.00 H new ATOM 0 HG3 MET A 10 0.643 1.834 3.570 1.00 0.00 H new ATOM 0 HE1 MET A 10 1.946 -1.492 2.566 1.00 0.00 H new ATOM 0 HE2 MET A 10 0.297 -0.880 2.300 1.00 0.00 H new ATOM 0 HE3 MET A 10 1.683 0.231 2.208 1.00 0.00 H new ATOM 148 N LYS A 11 4.506 3.600 6.615 1.00 0.00 N ATOM 149 CA LYS A 11 5.567 4.607 6.940 1.00 0.00 C ATOM 150 C LYS A 11 7.048 4.189 6.705 1.00 0.00 C ATOM 151 O LYS A 11 7.687 4.810 5.875 1.00 0.00 O ATOM 152 CB LYS A 11 5.196 4.977 8.373 1.00 0.00 C ATOM 153 CG LYS A 11 6.006 6.110 9.052 1.00 0.00 C ATOM 154 CD LYS A 11 5.238 6.471 10.395 1.00 0.00 C ATOM 155 CE LYS A 11 3.732 6.634 10.081 1.00 0.00 C ATOM 156 NZ LYS A 11 2.959 7.342 11.142 1.00 0.00 N ATOM 0 H LYS A 11 3.629 3.762 7.110 1.00 0.00 H new ATOM 0 HA LYS A 11 5.567 5.450 6.250 1.00 0.00 H new ATOM 0 HB2 LYS A 11 4.144 5.262 8.385 1.00 0.00 H new ATOM 0 HB3 LYS A 11 5.291 4.081 8.987 1.00 0.00 H new ATOM 0 HG2 LYS A 11 7.025 5.786 9.263 1.00 0.00 H new ATOM 0 HG3 LYS A 11 6.077 6.980 8.400 1.00 0.00 H new ATOM 0 HD2 LYS A 11 5.386 5.686 11.137 1.00 0.00 H new ATOM 0 HD3 LYS A 11 5.636 7.392 10.821 1.00 0.00 H new ATOM 0 HE2 LYS A 11 3.625 7.180 9.144 1.00 0.00 H new ATOM 0 HE3 LYS A 11 3.296 5.647 9.927 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 2.063 6.842 11.311 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 3.515 7.363 12.021 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 2.760 8.316 10.835 1.00 0.00 H new ATOM 170 N PRO A 12 7.591 3.190 7.370 1.00 0.00 N ATOM 171 CA PRO A 12 8.963 2.676 7.044 1.00 0.00 C ATOM 172 C PRO A 12 9.167 2.446 5.525 1.00 0.00 C ATOM 173 O PRO A 12 10.031 3.003 4.865 1.00 0.00 O ATOM 174 CB PRO A 12 9.072 1.392 7.920 1.00 0.00 C ATOM 175 CG PRO A 12 7.596 1.037 8.242 1.00 0.00 C ATOM 176 CD PRO A 12 6.963 2.414 8.478 1.00 0.00 C ATOM 0 HA PRO A 12 9.762 3.382 7.269 1.00 0.00 H new ATOM 0 HB2 PRO A 12 9.570 0.584 7.385 1.00 0.00 H new ATOM 0 HB3 PRO A 12 9.647 1.575 8.828 1.00 0.00 H new ATOM 0 HG2 PRO A 12 7.118 0.507 7.418 1.00 0.00 H new ATOM 0 HG3 PRO A 12 7.516 0.398 9.121 1.00 0.00 H new ATOM 0 HD2 PRO A 12 5.876 2.390 8.404 1.00 0.00 H new ATOM 0 HD3 PRO A 12 7.206 2.820 9.460 1.00 0.00 H new ATOM 184 N CYS A 13 8.321 1.600 5.001 1.00 0.00 N ATOM 185 CA CYS A 13 8.386 1.265 3.545 1.00 0.00 C ATOM 186 C CYS A 13 8.218 2.570 2.736 1.00 0.00 C ATOM 187 O CYS A 13 8.861 2.786 1.728 1.00 0.00 O ATOM 188 CB CYS A 13 7.277 0.303 3.207 1.00 0.00 C ATOM 189 SG CYS A 13 7.043 -1.154 4.262 1.00 0.00 S ATOM 0 H CYS A 13 7.583 1.123 5.520 1.00 0.00 H new ATOM 0 HA CYS A 13 9.342 0.802 3.302 1.00 0.00 H new ATOM 0 HB2 CYS A 13 6.342 0.863 3.203 1.00 0.00 H new ATOM 0 HB3 CYS A 13 7.442 -0.048 2.188 1.00 0.00 H new ATOM 194 N LEU A 14 7.326 3.423 3.207 1.00 0.00 N ATOM 195 CA LEU A 14 7.106 4.733 2.490 1.00 0.00 C ATOM 196 C LEU A 14 8.513 5.256 2.282 1.00 0.00 C ATOM 197 O LEU A 14 8.859 5.656 1.194 1.00 0.00 O ATOM 198 CB LEU A 14 6.305 5.774 3.315 1.00 0.00 C ATOM 199 CG LEU A 14 4.889 5.280 3.632 1.00 0.00 C ATOM 200 CD1 LEU A 14 4.010 6.452 4.042 1.00 0.00 C ATOM 201 CD2 LEU A 14 4.250 4.570 2.451 1.00 0.00 C ATOM 0 H LEU A 14 6.753 3.275 4.037 1.00 0.00 H new ATOM 0 HA LEU A 14 6.523 4.578 1.582 1.00 0.00 H new ATOM 0 HB2 LEU A 14 6.833 5.985 4.245 1.00 0.00 H new ATOM 0 HB3 LEU A 14 6.248 6.711 2.761 1.00 0.00 H new ATOM 0 HG LEU A 14 4.974 4.565 4.450 1.00 0.00 H new ATOM 0 HD11 LEU A 14 3.006 6.093 4.266 1.00 0.00 H new ATOM 0 HD12 LEU A 14 4.430 6.930 4.927 1.00 0.00 H new ATOM 0 HD13 LEU A 14 3.964 7.175 3.227 1.00 0.00 H new ATOM 0 HD21 LEU A 14 3.248 4.239 2.724 1.00 0.00 H new ATOM 0 HD22 LEU A 14 4.188 5.255 1.605 1.00 0.00 H new ATOM 0 HD23 LEU A 14 4.855 3.706 2.175 1.00 0.00 H new ATOM 213 N THR A 15 9.319 5.251 3.322 1.00 0.00 N ATOM 214 CA THR A 15 10.723 5.739 3.126 1.00 0.00 C ATOM 215 C THR A 15 11.253 4.906 1.946 1.00 0.00 C ATOM 216 O THR A 15 11.696 5.462 0.966 1.00 0.00 O ATOM 217 CB THR A 15 11.455 5.533 4.465 1.00 0.00 C ATOM 218 OG1 THR A 15 11.880 6.845 4.799 1.00 0.00 O ATOM 219 CG2 THR A 15 12.685 4.722 4.329 1.00 0.00 C ATOM 0 H THR A 15 9.077 4.942 4.264 1.00 0.00 H new ATOM 0 HA THR A 15 10.846 6.794 2.880 1.00 0.00 H new ATOM 0 HB THR A 15 10.807 5.029 5.182 1.00 0.00 H new ATOM 0 HG1 THR A 15 12.364 6.825 5.651 1.00 0.00 H new ATOM 0 HG21 THR A 15 13.157 4.611 5.305 1.00 0.00 H new ATOM 0 HG22 THR A 15 12.430 3.738 3.935 1.00 0.00 H new ATOM 0 HG23 THR A 15 13.375 5.219 3.647 1.00 0.00 H new ATOM 227 N TYR A 16 11.191 3.609 2.038 1.00 0.00 N ATOM 228 CA TYR A 16 11.687 2.734 0.889 1.00 0.00 C ATOM 229 C TYR A 16 11.215 3.228 -0.529 1.00 0.00 C ATOM 230 O TYR A 16 12.067 3.489 -1.361 1.00 0.00 O ATOM 231 CB TYR A 16 11.220 1.277 1.190 1.00 0.00 C ATOM 232 CG TYR A 16 10.982 0.465 -0.078 1.00 0.00 C ATOM 233 CD1 TYR A 16 12.025 0.146 -0.901 1.00 0.00 C ATOM 234 CD2 TYR A 16 9.705 0.061 -0.409 1.00 0.00 C ATOM 235 CE1 TYR A 16 11.795 -0.568 -2.045 1.00 0.00 C ATOM 236 CE2 TYR A 16 9.463 -0.659 -1.557 1.00 0.00 C ATOM 237 CZ TYR A 16 10.527 -0.975 -2.389 1.00 0.00 C ATOM 238 OH TYR A 16 10.418 -1.670 -3.571 1.00 0.00 O ATOM 0 H TYR A 16 10.825 3.100 2.843 1.00 0.00 H new ATOM 0 HA TYR A 16 12.774 2.790 0.837 1.00 0.00 H new ATOM 0 HB2 TYR A 16 11.971 0.777 1.801 1.00 0.00 H new ATOM 0 HB3 TYR A 16 10.301 1.307 1.776 1.00 0.00 H new ATOM 0 HD1 TYR A 16 13.028 0.457 -0.649 1.00 0.00 H new ATOM 0 HD2 TYR A 16 8.882 0.314 0.243 1.00 0.00 H new ATOM 0 HE1 TYR A 16 12.625 -0.817 -2.690 1.00 0.00 H new ATOM 0 HE2 TYR A 16 8.460 -0.973 -1.806 1.00 0.00 H new ATOM 0 HH TYR A 16 11.307 -1.966 -3.860 1.00 0.00 H new ATOM 248 N VAL A 17 9.927 3.343 -0.751 1.00 0.00 N ATOM 249 CA VAL A 17 9.404 3.815 -2.071 1.00 0.00 C ATOM 250 C VAL A 17 10.003 5.175 -2.414 1.00 0.00 C ATOM 251 O VAL A 17 10.178 5.436 -3.591 1.00 0.00 O ATOM 252 CB VAL A 17 7.844 3.961 -2.101 1.00 0.00 C ATOM 253 CG1 VAL A 17 7.156 2.593 -2.015 1.00 0.00 C ATOM 254 CG2 VAL A 17 7.357 4.832 -0.959 1.00 0.00 C ATOM 0 H VAL A 17 9.206 3.126 -0.062 1.00 0.00 H new ATOM 0 HA VAL A 17 9.692 3.054 -2.796 1.00 0.00 H new ATOM 0 HB VAL A 17 7.585 4.432 -3.050 1.00 0.00 H new ATOM 0 HG11 VAL A 17 6.075 2.728 -2.038 1.00 0.00 H new ATOM 0 HG12 VAL A 17 7.463 1.977 -2.860 1.00 0.00 H new ATOM 0 HG13 VAL A 17 7.441 2.100 -1.085 1.00 0.00 H new ATOM 0 HG21 VAL A 17 6.271 4.917 -1.003 1.00 0.00 H new ATOM 0 HG22 VAL A 17 7.647 4.383 -0.009 1.00 0.00 H new ATOM 0 HG23 VAL A 17 7.802 5.824 -1.042 1.00 0.00 H new ATOM 264 N GLN A 18 10.293 6.012 -1.435 1.00 0.00 N ATOM 265 CA GLN A 18 10.888 7.340 -1.815 1.00 0.00 C ATOM 266 C GLN A 18 12.419 7.159 -1.911 1.00 0.00 C ATOM 267 O GLN A 18 13.079 7.946 -2.554 1.00 0.00 O ATOM 268 CB GLN A 18 10.584 8.470 -0.745 1.00 0.00 C ATOM 269 CG GLN A 18 9.772 8.022 0.450 1.00 0.00 C ATOM 270 CD GLN A 18 9.610 9.089 1.537 1.00 0.00 C ATOM 271 OE1 GLN A 18 9.530 8.706 2.771 1.00 0.00 O flip ATOM 272 NE2 GLN A 18 9.542 10.277 1.296 1.00 0.00 N flip ATOM 0 H GLN A 18 10.152 5.845 -0.439 1.00 0.00 H new ATOM 0 HA GLN A 18 10.447 7.654 -2.761 1.00 0.00 H new ATOM 0 HB2 GLN A 18 11.531 8.876 -0.389 1.00 0.00 H new ATOM 0 HB3 GLN A 18 10.054 9.284 -1.240 1.00 0.00 H new ATOM 0 HG2 GLN A 18 8.784 7.715 0.108 1.00 0.00 H new ATOM 0 HG3 GLN A 18 10.245 7.143 0.888 1.00 0.00 H new ATOM 0 HE21 GLN A 18 9.602 10.606 0.332 1.00 0.00 H new ATOM 0 HE22 GLN A 18 9.425 10.946 2.057 1.00 0.00 H new ATOM 281 N GLY A 19 12.939 6.144 -1.276 1.00 0.00 N ATOM 282 CA GLY A 19 14.422 5.864 -1.293 1.00 0.00 C ATOM 283 C GLY A 19 14.945 5.357 0.051 1.00 0.00 C ATOM 284 O GLY A 19 15.739 5.997 0.714 1.00 0.00 O ATOM 0 H GLY A 19 12.393 5.477 -0.731 1.00 0.00 H new ATOM 0 HA2 GLY A 19 14.639 5.125 -2.064 1.00 0.00 H new ATOM 0 HA3 GLY A 19 14.956 6.774 -1.565 1.00 0.00 H new ATOM 288 N GLY A 20 14.471 4.193 0.410 1.00 0.00 N ATOM 289 CA GLY A 20 14.887 3.546 1.714 1.00 0.00 C ATOM 290 C GLY A 20 15.659 2.244 1.470 1.00 0.00 C ATOM 291 O GLY A 20 15.619 1.731 0.367 1.00 0.00 O ATOM 0 H GLY A 20 13.807 3.649 -0.142 1.00 0.00 H new ATOM 0 HA2 GLY A 20 15.508 4.238 2.284 1.00 0.00 H new ATOM 0 HA3 GLY A 20 14.003 3.339 2.318 1.00 0.00 H new ATOM 295 N PRO A 21 16.328 1.711 2.479 1.00 0.00 N ATOM 296 CA PRO A 21 17.098 0.430 2.398 1.00 0.00 C ATOM 297 C PRO A 21 16.049 -0.673 2.625 1.00 0.00 C ATOM 298 O PRO A 21 16.109 -1.488 3.526 1.00 0.00 O ATOM 299 CB PRO A 21 18.154 0.552 3.524 1.00 0.00 C ATOM 300 CG PRO A 21 17.955 2.005 4.080 1.00 0.00 C ATOM 301 CD PRO A 21 16.459 2.266 3.846 1.00 0.00 C ATOM 0 HA PRO A 21 17.615 0.211 1.464 1.00 0.00 H new ATOM 0 HB2 PRO A 21 17.997 -0.197 4.300 1.00 0.00 H new ATOM 0 HB3 PRO A 21 19.164 0.407 3.141 1.00 0.00 H new ATOM 0 HG2 PRO A 21 18.215 2.072 5.136 1.00 0.00 H new ATOM 0 HG3 PRO A 21 18.578 2.727 3.552 1.00 0.00 H new ATOM 0 HD2 PRO A 21 15.826 1.753 4.569 1.00 0.00 H new ATOM 0 HD3 PRO A 21 16.205 3.325 3.895 1.00 0.00 H new ATOM 309 N GLY A 22 15.097 -0.616 1.745 1.00 0.00 N ATOM 310 CA GLY A 22 13.953 -1.553 1.731 1.00 0.00 C ATOM 311 C GLY A 22 13.904 -2.370 0.422 1.00 0.00 C ATOM 312 O GLY A 22 14.769 -2.239 -0.418 1.00 0.00 O ATOM 0 H GLY A 22 15.067 0.079 0.999 1.00 0.00 H new ATOM 0 HA2 GLY A 22 14.027 -2.231 2.581 1.00 0.00 H new ATOM 0 HA3 GLY A 22 13.024 -0.995 1.848 1.00 0.00 H new ATOM 316 N PRO A 23 12.901 -3.197 0.263 1.00 0.00 N ATOM 317 CA PRO A 23 11.840 -3.494 1.251 1.00 0.00 C ATOM 318 C PRO A 23 12.111 -4.803 2.037 1.00 0.00 C ATOM 319 O PRO A 23 11.641 -5.855 1.662 1.00 0.00 O ATOM 320 CB PRO A 23 10.597 -3.473 0.338 1.00 0.00 C ATOM 321 CG PRO A 23 11.114 -3.949 -1.083 1.00 0.00 C ATOM 322 CD PRO A 23 12.669 -3.944 -0.994 1.00 0.00 C ATOM 0 HA PRO A 23 11.745 -2.797 2.084 1.00 0.00 H new ATOM 0 HB2 PRO A 23 9.820 -4.137 0.716 1.00 0.00 H new ATOM 0 HB3 PRO A 23 10.165 -2.474 0.285 1.00 0.00 H new ATOM 0 HG2 PRO A 23 10.739 -4.944 -1.322 1.00 0.00 H new ATOM 0 HG3 PRO A 23 10.765 -3.280 -1.870 1.00 0.00 H new ATOM 0 HD2 PRO A 23 13.079 -4.953 -0.951 1.00 0.00 H new ATOM 0 HD3 PRO A 23 13.126 -3.451 -1.852 1.00 0.00 H new ATOM 330 N SER A 24 12.879 -4.665 3.088 1.00 0.00 N ATOM 331 CA SER A 24 13.334 -5.729 4.068 1.00 0.00 C ATOM 332 C SER A 24 12.524 -7.036 4.239 1.00 0.00 C ATOM 333 O SER A 24 13.028 -8.034 4.712 1.00 0.00 O ATOM 334 CB SER A 24 13.448 -5.067 5.462 1.00 0.00 C ATOM 335 OG SER A 24 13.767 -3.704 5.196 1.00 0.00 O ATOM 0 H SER A 24 13.254 -3.750 3.337 1.00 0.00 H new ATOM 0 HA SER A 24 14.261 -6.081 3.616 1.00 0.00 H new ATOM 0 HB2 SER A 24 12.514 -5.153 6.018 1.00 0.00 H new ATOM 0 HB3 SER A 24 14.222 -5.544 6.064 1.00 0.00 H new ATOM 0 HG SER A 24 13.013 -3.135 5.456 1.00 0.00 H new ATOM 341 N GLY A 25 11.280 -6.996 3.861 1.00 0.00 N ATOM 342 CA GLY A 25 10.330 -8.171 3.966 1.00 0.00 C ATOM 343 C GLY A 25 9.106 -7.645 4.711 1.00 0.00 C ATOM 344 O GLY A 25 7.971 -7.881 4.343 1.00 0.00 O ATOM 0 H GLY A 25 10.850 -6.162 3.462 1.00 0.00 H new ATOM 0 HA2 GLY A 25 10.057 -8.544 2.979 1.00 0.00 H new ATOM 0 HA3 GLY A 25 10.790 -9.000 4.504 1.00 0.00 H new ATOM 348 N GLU A 26 9.432 -6.939 5.767 1.00 0.00 N ATOM 349 CA GLU A 26 8.437 -6.275 6.695 1.00 0.00 C ATOM 350 C GLU A 26 7.167 -5.838 5.969 1.00 0.00 C ATOM 351 O GLU A 26 6.053 -6.051 6.407 1.00 0.00 O ATOM 352 CB GLU A 26 9.083 -5.027 7.319 1.00 0.00 C ATOM 353 CG GLU A 26 9.516 -4.033 6.148 1.00 0.00 C ATOM 354 CD GLU A 26 10.219 -2.757 6.579 1.00 0.00 C ATOM 355 OE1 GLU A 26 9.596 -1.999 7.309 1.00 0.00 O ATOM 356 OE2 GLU A 26 11.340 -2.648 6.113 1.00 0.00 O ATOM 0 H GLU A 26 10.401 -6.784 6.044 1.00 0.00 H new ATOM 0 HA GLU A 26 8.164 -7.008 7.454 1.00 0.00 H new ATOM 0 HB2 GLU A 26 8.381 -4.535 7.992 1.00 0.00 H new ATOM 0 HB3 GLU A 26 9.951 -5.309 7.915 1.00 0.00 H new ATOM 0 HG2 GLU A 26 10.173 -4.573 5.466 1.00 0.00 H new ATOM 0 HG3 GLU A 26 8.625 -3.759 5.583 1.00 0.00 H new ATOM 363 N CYS A 27 7.445 -5.215 4.861 1.00 0.00 N ATOM 364 CA CYS A 27 6.415 -4.687 3.967 1.00 0.00 C ATOM 365 C CYS A 27 5.620 -5.868 3.498 1.00 0.00 C ATOM 366 O CYS A 27 4.540 -6.027 4.007 1.00 0.00 O ATOM 367 CB CYS A 27 7.148 -3.953 2.857 1.00 0.00 C ATOM 368 SG CYS A 27 8.196 -2.578 3.405 1.00 0.00 S ATOM 0 H CYS A 27 8.397 -5.049 4.535 1.00 0.00 H new ATOM 0 HA CYS A 27 5.720 -3.982 4.424 1.00 0.00 H new ATOM 0 HB2 CYS A 27 7.768 -4.669 2.317 1.00 0.00 H new ATOM 0 HB3 CYS A 27 6.413 -3.570 2.149 1.00 0.00 H new ATOM 373 N CYS A 28 6.121 -6.668 2.593 1.00 0.00 N ATOM 374 CA CYS A 28 5.342 -7.867 2.111 1.00 0.00 C ATOM 375 C CYS A 28 4.473 -8.446 3.232 1.00 0.00 C ATOM 376 O CYS A 28 3.287 -8.688 3.141 1.00 0.00 O ATOM 377 CB CYS A 28 6.353 -8.885 1.615 1.00 0.00 C ATOM 378 SG CYS A 28 7.377 -8.297 0.251 1.00 0.00 S ATOM 0 H CYS A 28 7.037 -6.549 2.161 1.00 0.00 H new ATOM 0 HA CYS A 28 4.660 -7.586 1.308 1.00 0.00 H new ATOM 0 HB2 CYS A 28 7.000 -9.173 2.444 1.00 0.00 H new ATOM 0 HB3 CYS A 28 5.823 -9.783 1.297 1.00 0.00 H new ATOM 383 N ASN A 29 5.189 -8.612 4.298 1.00 0.00 N ATOM 384 CA ASN A 29 4.608 -9.164 5.556 1.00 0.00 C ATOM 385 C ASN A 29 3.341 -8.378 5.978 1.00 0.00 C ATOM 386 O ASN A 29 2.221 -8.808 5.764 1.00 0.00 O ATOM 387 CB ASN A 29 5.767 -9.092 6.589 1.00 0.00 C ATOM 388 CG ASN A 29 6.703 -10.262 6.390 1.00 0.00 C ATOM 389 OD1 ASN A 29 7.172 -10.559 5.320 1.00 0.00 O ATOM 390 ND2 ASN A 29 7.043 -10.996 7.386 1.00 0.00 N ATOM 0 H ASN A 29 6.181 -8.384 4.358 1.00 0.00 H new ATOM 0 HA ASN A 29 4.255 -10.190 5.452 1.00 0.00 H new ATOM 0 HB2 ASN A 29 6.312 -8.155 6.474 1.00 0.00 H new ATOM 0 HB3 ASN A 29 5.365 -9.104 7.602 1.00 0.00 H new ATOM 0 HD21 ASN A 29 7.678 -11.782 7.247 1.00 0.00 H new ATOM 0 HD22 ASN A 29 6.678 -10.794 8.317 1.00 0.00 H new ATOM 397 N GLY A 30 3.557 -7.220 6.553 1.00 0.00 N ATOM 398 CA GLY A 30 2.397 -6.382 7.008 1.00 0.00 C ATOM 399 C GLY A 30 1.432 -6.131 5.852 1.00 0.00 C ATOM 400 O GLY A 30 0.240 -6.313 5.955 1.00 0.00 O ATOM 0 H GLY A 30 4.478 -6.819 6.727 1.00 0.00 H new ATOM 0 HA2 GLY A 30 1.875 -6.885 7.822 1.00 0.00 H new ATOM 0 HA3 GLY A 30 2.759 -5.432 7.400 1.00 0.00 H new ATOM 404 N VAL A 31 1.993 -5.707 4.759 1.00 0.00 N ATOM 405 CA VAL A 31 1.202 -5.405 3.521 1.00 0.00 C ATOM 406 C VAL A 31 0.143 -6.464 3.278 1.00 0.00 C ATOM 407 O VAL A 31 -1.035 -6.179 3.175 1.00 0.00 O ATOM 408 CB VAL A 31 2.098 -5.391 2.311 1.00 0.00 C ATOM 409 CG1 VAL A 31 1.169 -5.088 1.128 1.00 0.00 C ATOM 410 CG2 VAL A 31 3.104 -4.268 2.405 1.00 0.00 C ATOM 0 H VAL A 31 2.996 -5.550 4.662 1.00 0.00 H new ATOM 0 HA VAL A 31 0.737 -4.431 3.672 1.00 0.00 H new ATOM 0 HB VAL A 31 2.638 -6.333 2.215 1.00 0.00 H new ATOM 0 HG11 VAL A 31 1.750 -5.061 0.206 1.00 0.00 H new ATOM 0 HG12 VAL A 31 0.408 -5.865 1.055 1.00 0.00 H new ATOM 0 HG13 VAL A 31 0.688 -4.122 1.282 1.00 0.00 H new ATOM 0 HG21 VAL A 31 3.742 -4.276 1.521 1.00 0.00 H new ATOM 0 HG22 VAL A 31 2.580 -3.314 2.466 1.00 0.00 H new ATOM 0 HG23 VAL A 31 3.717 -4.403 3.296 1.00 0.00 H new ATOM 420 N ARG A 32 0.638 -7.670 3.172 1.00 0.00 N ATOM 421 CA ARG A 32 -0.262 -8.819 2.939 1.00 0.00 C ATOM 422 C ARG A 32 -1.261 -8.819 4.079 1.00 0.00 C ATOM 423 O ARG A 32 -2.429 -8.847 3.785 1.00 0.00 O ATOM 424 CB ARG A 32 0.604 -10.065 2.897 1.00 0.00 C ATOM 425 CG ARG A 32 1.319 -10.083 1.514 1.00 0.00 C ATOM 426 CD ARG A 32 1.975 -11.438 1.218 1.00 0.00 C ATOM 427 NE ARG A 32 0.892 -12.488 1.160 1.00 0.00 N ATOM 428 CZ ARG A 32 0.800 -13.435 2.030 1.00 0.00 C ATOM 429 NH1 ARG A 32 1.607 -14.432 1.957 1.00 0.00 N ATOM 430 NH2 ARG A 32 -0.097 -13.345 2.929 1.00 0.00 N ATOM 0 H ARG A 32 1.629 -7.901 3.238 1.00 0.00 H new ATOM 0 HA ARG A 32 -0.815 -8.773 2.001 1.00 0.00 H new ATOM 0 HB2 ARG A 32 1.333 -10.054 3.707 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -0.004 -10.960 3.028 1.00 0.00 H new ATOM 0 HG2 ARG A 32 0.597 -9.852 0.731 1.00 0.00 H new ATOM 0 HG3 ARG A 32 2.078 -9.301 1.489 1.00 0.00 H new ATOM 0 HD2 ARG A 32 2.517 -11.399 0.273 1.00 0.00 H new ATOM 0 HD3 ARG A 32 2.702 -11.685 1.992 1.00 0.00 H new ATOM 0 HE ARG A 32 0.208 -12.447 0.405 1.00 0.00 H new ATOM 0 HH11 ARG A 32 2.309 -14.467 1.218 1.00 0.00 H new ATOM 0 HH12 ARG A 32 1.546 -15.189 2.638 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -0.721 -12.538 2.948 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -0.192 -14.080 3.630 1.00 0.00 H new ATOM 444 N ASP A 33 -0.848 -8.792 5.322 1.00 0.00 N ATOM 445 CA ASP A 33 -1.896 -8.772 6.409 1.00 0.00 C ATOM 446 C ASP A 33 -2.983 -7.754 6.015 1.00 0.00 C ATOM 447 O ASP A 33 -4.153 -8.079 6.016 1.00 0.00 O ATOM 448 CB ASP A 33 -1.188 -8.413 7.709 1.00 0.00 C ATOM 449 CG ASP A 33 -0.908 -9.730 8.408 1.00 0.00 C ATOM 450 OD1 ASP A 33 -1.872 -10.147 9.035 1.00 0.00 O ATOM 451 OD2 ASP A 33 0.199 -10.218 8.266 1.00 0.00 O ATOM 0 H ASP A 33 0.124 -8.783 5.631 1.00 0.00 H new ATOM 0 HA ASP A 33 -2.390 -9.735 6.542 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -0.263 -7.871 7.513 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -1.811 -7.767 8.328 1.00 0.00 H new ATOM 456 N LEU A 34 -2.611 -6.550 5.665 1.00 0.00 N ATOM 457 CA LEU A 34 -3.707 -5.602 5.276 1.00 0.00 C ATOM 458 C LEU A 34 -4.386 -6.138 3.992 1.00 0.00 C ATOM 459 O LEU A 34 -5.569 -5.955 3.854 1.00 0.00 O ATOM 460 CB LEU A 34 -3.208 -4.189 4.943 1.00 0.00 C ATOM 461 CG LEU A 34 -2.424 -3.567 6.124 1.00 0.00 C ATOM 462 CD1 LEU A 34 -0.963 -3.498 5.764 1.00 0.00 C ATOM 463 CD2 LEU A 34 -2.838 -2.110 6.324 1.00 0.00 C ATOM 0 H LEU A 34 -1.656 -6.193 5.630 1.00 0.00 H new ATOM 0 HA LEU A 34 -4.378 -5.539 6.132 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -2.568 -4.227 4.061 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -4.057 -3.552 4.694 1.00 0.00 H new ATOM 0 HG LEU A 34 -2.619 -4.174 7.008 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -0.405 -3.061 6.592 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -0.590 -4.502 5.565 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -0.836 -2.881 4.875 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -2.279 -1.684 7.158 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -2.625 -1.544 5.417 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -3.905 -2.061 6.540 1.00 0.00 H new ATOM 475 N HIS A 35 -3.685 -6.780 3.085 1.00 0.00 N ATOM 476 CA HIS A 35 -4.331 -7.312 1.821 1.00 0.00 C ATOM 477 C HIS A 35 -5.153 -8.593 2.074 1.00 0.00 C ATOM 478 O HIS A 35 -5.915 -9.055 1.247 1.00 0.00 O ATOM 479 CB HIS A 35 -3.246 -7.636 0.798 1.00 0.00 C ATOM 480 CG HIS A 35 -3.854 -7.892 -0.587 1.00 0.00 C ATOM 481 ND1 HIS A 35 -4.579 -8.893 -0.962 1.00 0.00 N ATOM 482 CD2 HIS A 35 -3.751 -7.121 -1.710 1.00 0.00 C ATOM 483 CE1 HIS A 35 -4.903 -8.768 -2.210 1.00 0.00 C ATOM 484 NE2 HIS A 35 -4.405 -7.670 -2.716 1.00 0.00 N ATOM 0 H HIS A 35 -2.684 -6.964 3.160 1.00 0.00 H new ATOM 0 HA HIS A 35 -5.007 -6.539 1.455 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -2.537 -6.810 0.741 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -2.687 -8.514 1.121 1.00 0.00 H new ATOM 0 HD1 HIS A 35 -4.856 -9.670 -0.362 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -3.208 -6.189 -1.767 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -5.505 -9.477 -2.760 1.00 0.00 H new ATOM 492 N ASN A 36 -4.952 -9.135 3.229 1.00 0.00 N ATOM 493 CA ASN A 36 -5.629 -10.377 3.705 1.00 0.00 C ATOM 494 C ASN A 36 -6.837 -9.957 4.593 1.00 0.00 C ATOM 495 O ASN A 36 -7.883 -10.576 4.564 1.00 0.00 O ATOM 496 CB ASN A 36 -4.469 -11.165 4.416 1.00 0.00 C ATOM 497 CG ASN A 36 -3.298 -11.394 3.420 1.00 0.00 C ATOM 498 OD1 ASN A 36 -2.173 -11.722 3.745 1.00 0.00 O ATOM 499 ND2 ASN A 36 -3.464 -11.250 2.145 1.00 0.00 N ATOM 0 H ASN A 36 -4.303 -8.745 3.913 1.00 0.00 H new ATOM 0 HA ASN A 36 -6.076 -11.023 2.949 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -4.117 -10.607 5.283 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -4.839 -12.123 4.782 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -2.684 -11.410 1.508 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -4.375 -10.976 1.777 1.00 0.00 H new ATOM 506 N GLN A 37 -6.626 -8.910 5.346 1.00 0.00 N ATOM 507 CA GLN A 37 -7.646 -8.316 6.272 1.00 0.00 C ATOM 508 C GLN A 37 -8.594 -7.329 5.515 1.00 0.00 C ATOM 509 O GLN A 37 -9.751 -7.210 5.869 1.00 0.00 O ATOM 510 CB GLN A 37 -6.923 -7.524 7.407 1.00 0.00 C ATOM 511 CG GLN A 37 -6.098 -8.378 8.426 1.00 0.00 C ATOM 512 CD GLN A 37 -5.423 -7.478 9.493 1.00 0.00 C ATOM 513 OE1 GLN A 37 -6.027 -6.654 10.150 1.00 0.00 O ATOM 514 NE2 GLN A 37 -4.153 -7.593 9.719 1.00 0.00 N ATOM 0 H GLN A 37 -5.736 -8.413 5.358 1.00 0.00 H new ATOM 0 HA GLN A 37 -8.237 -9.134 6.684 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -6.253 -6.799 6.946 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -7.672 -6.958 7.961 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -6.753 -9.098 8.916 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -5.337 -8.949 7.894 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -3.601 -8.271 9.194 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -3.705 -7.006 10.423 1.00 0.00 H new ATOM 523 N ALA A 38 -8.074 -6.642 4.520 1.00 0.00 N ATOM 524 CA ALA A 38 -8.892 -5.653 3.717 1.00 0.00 C ATOM 525 C ALA A 38 -9.110 -5.873 2.169 1.00 0.00 C ATOM 526 O ALA A 38 -8.224 -5.647 1.361 1.00 0.00 O ATOM 527 CB ALA A 38 -8.219 -4.329 3.983 1.00 0.00 C ATOM 0 H ALA A 38 -7.102 -6.722 4.222 1.00 0.00 H new ATOM 0 HA ALA A 38 -9.925 -5.756 4.050 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -8.741 -3.540 3.441 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -8.246 -4.115 5.051 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -7.183 -4.374 3.649 1.00 0.00 H new ATOM 533 N GLN A 39 -10.293 -6.302 1.785 1.00 0.00 N ATOM 534 CA GLN A 39 -10.635 -6.556 0.315 1.00 0.00 C ATOM 535 C GLN A 39 -11.926 -5.875 -0.225 1.00 0.00 C ATOM 536 O GLN A 39 -12.087 -5.492 -1.374 1.00 0.00 O ATOM 537 CB GLN A 39 -10.766 -8.079 0.110 1.00 0.00 C ATOM 538 CG GLN A 39 -9.386 -8.793 0.196 1.00 0.00 C ATOM 539 CD GLN A 39 -8.493 -8.493 -1.008 1.00 0.00 C ATOM 540 OE1 GLN A 39 -7.343 -7.962 -0.781 1.00 0.00 O flip ATOM 541 NE2 GLN A 39 -8.791 -8.734 -2.158 1.00 0.00 N flip ATOM 0 H GLN A 39 -11.060 -6.495 2.430 1.00 0.00 H new ATOM 0 HA GLN A 39 -9.821 -6.104 -0.251 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -11.436 -8.491 0.864 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -11.218 -8.278 -0.862 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -8.876 -8.482 1.108 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -9.542 -9.869 0.269 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -9.695 -9.155 -2.373 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -8.138 -8.516 -2.911 1.00 0.00 H new ATOM 550 N SER A 40 -12.860 -5.727 0.664 1.00 0.00 N ATOM 551 CA SER A 40 -14.194 -5.105 0.361 1.00 0.00 C ATOM 552 C SER A 40 -14.224 -3.575 0.602 1.00 0.00 C ATOM 553 O SER A 40 -13.286 -2.958 1.074 1.00 0.00 O ATOM 554 CB SER A 40 -15.219 -5.831 1.259 1.00 0.00 C ATOM 555 OG SER A 40 -15.107 -7.201 0.881 1.00 0.00 O ATOM 0 H SER A 40 -12.757 -6.022 1.635 1.00 0.00 H new ATOM 0 HA SER A 40 -14.425 -5.222 -0.698 1.00 0.00 H new ATOM 0 HB2 SER A 40 -14.993 -5.690 2.316 1.00 0.00 H new ATOM 0 HB3 SER A 40 -16.229 -5.454 1.096 1.00 0.00 H new ATOM 0 HG SER A 40 -15.731 -7.739 1.412 1.00 0.00 H new ATOM 561 N SER A 41 -15.319 -2.931 0.282 1.00 0.00 N ATOM 562 CA SER A 41 -15.405 -1.434 0.499 1.00 0.00 C ATOM 563 C SER A 41 -15.863 -1.166 1.953 1.00 0.00 C ATOM 564 O SER A 41 -16.703 -0.332 2.244 1.00 0.00 O ATOM 565 CB SER A 41 -16.430 -0.815 -0.491 1.00 0.00 C ATOM 566 OG SER A 41 -15.891 -1.079 -1.791 1.00 0.00 O ATOM 0 H SER A 41 -16.154 -3.362 -0.116 1.00 0.00 H new ATOM 0 HA SER A 41 -14.429 -0.982 0.326 1.00 0.00 H new ATOM 0 HB2 SER A 41 -17.415 -1.266 -0.373 1.00 0.00 H new ATOM 0 HB3 SER A 41 -16.547 0.255 -0.321 1.00 0.00 H new ATOM 0 HG SER A 41 -16.492 -0.715 -2.474 1.00 0.00 H new ATOM 572 N GLY A 42 -15.258 -1.927 2.833 1.00 0.00 N ATOM 573 CA GLY A 42 -15.538 -1.850 4.321 1.00 0.00 C ATOM 574 C GLY A 42 -14.239 -1.918 5.121 1.00 0.00 C ATOM 575 O GLY A 42 -13.993 -1.177 6.047 1.00 0.00 O ATOM 0 H GLY A 42 -14.557 -2.624 2.582 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -16.063 -0.922 4.549 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -16.195 -2.669 4.615 1.00 0.00 H new ATOM 579 N ASP A 43 -13.456 -2.859 4.690 1.00 0.00 N ATOM 580 CA ASP A 43 -12.122 -3.180 5.249 1.00 0.00 C ATOM 581 C ASP A 43 -11.009 -2.543 4.328 1.00 0.00 C ATOM 582 O ASP A 43 -10.042 -2.008 4.841 1.00 0.00 O ATOM 583 CB ASP A 43 -12.158 -4.756 5.341 1.00 0.00 C ATOM 584 CG ASP A 43 -12.414 -5.438 3.994 1.00 0.00 C ATOM 585 OD1 ASP A 43 -12.678 -4.748 3.042 1.00 0.00 O ATOM 586 OD2 ASP A 43 -12.338 -6.638 3.934 1.00 0.00 O ATOM 0 H ASP A 43 -13.713 -3.464 3.910 1.00 0.00 H new ATOM 0 HA ASP A 43 -11.885 -2.769 6.230 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -11.210 -5.111 5.745 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -12.936 -5.054 6.044 1.00 0.00 H new ATOM 591 N ARG A 44 -11.145 -2.601 3.015 1.00 0.00 N ATOM 592 CA ARG A 44 -10.132 -2.008 2.070 1.00 0.00 C ATOM 593 C ARG A 44 -10.372 -0.525 1.905 1.00 0.00 C ATOM 594 O ARG A 44 -9.463 0.220 2.176 1.00 0.00 O ATOM 595 CB ARG A 44 -10.195 -2.776 0.649 1.00 0.00 C ATOM 596 CG ARG A 44 -10.160 -1.846 -0.639 1.00 0.00 C ATOM 597 CD ARG A 44 -11.560 -1.445 -1.174 1.00 0.00 C ATOM 598 NE ARG A 44 -11.917 -2.326 -2.343 1.00 0.00 N ATOM 599 CZ ARG A 44 -13.122 -2.428 -2.764 1.00 0.00 C ATOM 600 NH1 ARG A 44 -13.646 -1.421 -3.317 1.00 0.00 N ATOM 601 NH2 ARG A 44 -13.711 -3.531 -2.604 1.00 0.00 N ATOM 0 H ARG A 44 -11.936 -3.046 2.550 1.00 0.00 H new ATOM 0 HA ARG A 44 -9.132 -2.137 2.485 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -9.357 -3.471 0.595 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -11.107 -3.372 0.619 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -9.601 -0.941 -0.404 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -9.615 -2.361 -1.430 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -12.306 -1.547 -0.386 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -11.559 -0.399 -1.479 1.00 0.00 H new ATOM 0 HE ARG A 44 -11.180 -2.854 -2.811 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -13.111 -0.558 -3.418 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -14.604 -1.470 -3.663 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -13.227 -4.307 -2.151 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -14.671 -3.648 -2.927 1.00 0.00 H new ATOM 615 N GLN A 45 -11.541 -0.112 1.484 1.00 0.00 N ATOM 616 CA GLN A 45 -11.814 1.367 1.305 1.00 0.00 C ATOM 617 C GLN A 45 -11.012 2.345 2.190 1.00 0.00 C ATOM 618 O GLN A 45 -10.273 3.186 1.719 1.00 0.00 O ATOM 619 CB GLN A 45 -13.348 1.612 1.519 1.00 0.00 C ATOM 620 CG GLN A 45 -13.951 2.264 0.237 1.00 0.00 C ATOM 621 CD GLN A 45 -13.294 3.640 0.119 1.00 0.00 C ATOM 622 OE1 GLN A 45 -13.611 4.603 0.778 1.00 0.00 O ATOM 623 NE2 GLN A 45 -12.331 3.792 -0.720 1.00 0.00 N ATOM 0 H GLN A 45 -12.323 -0.725 1.254 1.00 0.00 H new ATOM 0 HA GLN A 45 -11.474 1.595 0.295 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -13.852 0.669 1.733 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -13.507 2.261 2.380 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -13.746 1.656 -0.644 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -15.034 2.354 0.317 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -12.029 3.007 -1.298 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -11.869 4.697 -0.808 1.00 0.00 H new ATOM 632 N THR A 46 -11.201 2.174 3.465 1.00 0.00 N ATOM 633 CA THR A 46 -10.518 3.010 4.510 1.00 0.00 C ATOM 634 C THR A 46 -8.991 2.866 4.407 1.00 0.00 C ATOM 635 O THR A 46 -8.293 3.782 4.007 1.00 0.00 O ATOM 636 CB THR A 46 -10.975 2.546 5.897 1.00 0.00 C ATOM 637 OG1 THR A 46 -12.389 2.637 5.861 1.00 0.00 O ATOM 638 CG2 THR A 46 -10.529 3.545 6.946 1.00 0.00 C ATOM 0 H THR A 46 -11.824 1.463 3.849 1.00 0.00 H new ATOM 0 HA THR A 46 -10.782 4.056 4.353 1.00 0.00 H new ATOM 0 HB THR A 46 -10.584 1.555 6.127 1.00 0.00 H new ATOM 0 HG1 THR A 46 -12.757 2.351 6.723 1.00 0.00 H new ATOM 0 HG21 THR A 46 -10.857 3.210 7.930 1.00 0.00 H new ATOM 0 HG22 THR A 46 -9.442 3.625 6.933 1.00 0.00 H new ATOM 0 HG23 THR A 46 -10.967 4.519 6.730 1.00 0.00 H new ATOM 646 N VAL A 47 -8.521 1.701 4.784 1.00 0.00 N ATOM 647 CA VAL A 47 -7.056 1.398 4.737 1.00 0.00 C ATOM 648 C VAL A 47 -6.477 1.940 3.398 1.00 0.00 C ATOM 649 O VAL A 47 -5.426 2.552 3.354 1.00 0.00 O ATOM 650 CB VAL A 47 -7.032 -0.150 4.974 1.00 0.00 C ATOM 651 CG1 VAL A 47 -5.866 -0.903 4.388 1.00 0.00 C ATOM 652 CG2 VAL A 47 -6.925 -0.383 6.481 1.00 0.00 C ATOM 0 H VAL A 47 -9.101 0.935 5.128 1.00 0.00 H new ATOM 0 HA VAL A 47 -6.412 1.875 5.475 1.00 0.00 H new ATOM 0 HB VAL A 47 -7.936 -0.517 4.488 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -5.964 -1.963 4.620 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -5.852 -0.768 3.306 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -4.937 -0.523 4.813 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -6.906 -1.454 6.683 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -6.009 0.074 6.856 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -7.784 0.065 6.980 1.00 0.00 H new ATOM 662 N CYS A 48 -7.217 1.700 2.356 1.00 0.00 N ATOM 663 CA CYS A 48 -6.848 2.141 0.982 1.00 0.00 C ATOM 664 C CYS A 48 -6.696 3.666 0.931 1.00 0.00 C ATOM 665 O CYS A 48 -5.617 4.179 0.699 1.00 0.00 O ATOM 666 CB CYS A 48 -7.945 1.695 0.038 1.00 0.00 C ATOM 667 SG CYS A 48 -7.579 1.945 -1.705 1.00 0.00 S ATOM 0 H CYS A 48 -8.101 1.194 2.402 1.00 0.00 H new ATOM 0 HA CYS A 48 -5.895 1.700 0.692 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -8.143 0.636 0.206 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -8.860 2.234 0.285 1.00 0.00 H new ATOM 672 N ASN A 49 -7.802 4.335 1.153 1.00 0.00 N ATOM 673 CA ASN A 49 -7.820 5.822 1.143 1.00 0.00 C ATOM 674 C ASN A 49 -6.666 6.417 1.938 1.00 0.00 C ATOM 675 O ASN A 49 -6.062 7.374 1.506 1.00 0.00 O ATOM 676 CB ASN A 49 -9.149 6.309 1.711 1.00 0.00 C ATOM 677 CG ASN A 49 -10.279 6.053 0.745 1.00 0.00 C ATOM 678 OD1 ASN A 49 -10.135 5.992 -0.461 1.00 0.00 O ATOM 679 ND2 ASN A 49 -11.448 5.910 1.264 1.00 0.00 N ATOM 0 H ASN A 49 -8.705 3.901 1.343 1.00 0.00 H new ATOM 0 HA ASN A 49 -7.704 6.154 0.111 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -9.352 5.803 2.655 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -9.086 7.375 1.928 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -12.256 5.745 0.664 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -11.567 5.961 2.276 1.00 0.00 H new ATOM 686 N CYS A 50 -6.374 5.851 3.076 1.00 0.00 N ATOM 687 CA CYS A 50 -5.236 6.418 3.873 1.00 0.00 C ATOM 688 C CYS A 50 -3.878 5.965 3.327 1.00 0.00 C ATOM 689 O CYS A 50 -3.035 6.824 3.180 1.00 0.00 O ATOM 690 CB CYS A 50 -5.415 6.013 5.331 1.00 0.00 C ATOM 691 SG CYS A 50 -6.820 6.879 6.074 1.00 0.00 S ATOM 0 H CYS A 50 -6.852 5.047 3.483 1.00 0.00 H new ATOM 0 HA CYS A 50 -5.248 7.505 3.793 1.00 0.00 H new ATOM 0 HB2 CYS A 50 -5.570 4.936 5.397 1.00 0.00 H new ATOM 0 HB3 CYS A 50 -4.507 6.239 5.890 1.00 0.00 H new ATOM 696 N LEU A 51 -3.629 4.705 3.045 1.00 0.00 N ATOM 697 CA LEU A 51 -2.268 4.366 2.487 1.00 0.00 C ATOM 698 C LEU A 51 -2.090 5.282 1.244 1.00 0.00 C ATOM 699 O LEU A 51 -1.034 5.833 0.994 1.00 0.00 O ATOM 700 CB LEU A 51 -2.228 2.857 2.093 1.00 0.00 C ATOM 701 CG LEU A 51 -1.468 2.612 0.732 1.00 0.00 C ATOM 702 CD1 LEU A 51 -0.584 1.374 0.802 1.00 0.00 C ATOM 703 CD2 LEU A 51 -2.495 2.347 -0.391 1.00 0.00 C ATOM 0 H LEU A 51 -4.274 3.924 3.168 1.00 0.00 H new ATOM 0 HA LEU A 51 -1.465 4.528 3.207 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -1.740 2.290 2.886 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -3.247 2.478 2.011 1.00 0.00 H new ATOM 0 HG LEU A 51 -0.863 3.498 0.538 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -0.076 1.235 -0.152 1.00 0.00 H new ATOM 0 HD12 LEU A 51 0.156 1.500 1.592 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -1.199 0.500 1.016 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -1.970 2.178 -1.331 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -3.087 1.466 -0.142 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -3.153 3.210 -0.493 1.00 0.00 H new ATOM 715 N LYS A 52 -3.149 5.410 0.482 1.00 0.00 N ATOM 716 CA LYS A 52 -3.102 6.282 -0.733 1.00 0.00 C ATOM 717 C LYS A 52 -2.697 7.645 -0.139 1.00 0.00 C ATOM 718 O LYS A 52 -1.680 8.205 -0.493 1.00 0.00 O ATOM 719 CB LYS A 52 -4.510 6.257 -1.333 1.00 0.00 C ATOM 720 CG LYS A 52 -4.659 7.166 -2.573 1.00 0.00 C ATOM 721 CD LYS A 52 -6.097 6.963 -3.166 1.00 0.00 C ATOM 722 CE LYS A 52 -7.244 7.484 -2.265 1.00 0.00 C ATOM 723 NZ LYS A 52 -8.528 6.837 -2.729 1.00 0.00 N ATOM 0 H LYS A 52 -4.043 4.949 0.649 1.00 0.00 H new ATOM 0 HA LYS A 52 -2.418 5.999 -1.533 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -4.762 5.233 -1.609 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -5.227 6.569 -0.574 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -4.506 8.210 -2.299 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -3.903 6.918 -3.318 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -6.153 7.467 -4.131 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -6.253 5.900 -3.352 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -7.050 7.240 -1.221 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -7.318 8.569 -2.331 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -9.189 6.765 -1.929 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -8.956 7.415 -3.481 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -8.324 5.886 -3.097 1.00 0.00 H new ATOM 737 N GLY A 53 -3.519 8.123 0.763 1.00 0.00 N ATOM 738 CA GLY A 53 -3.273 9.434 1.459 1.00 0.00 C ATOM 739 C GLY A 53 -1.772 9.671 1.691 1.00 0.00 C ATOM 740 O GLY A 53 -1.216 10.627 1.188 1.00 0.00 O ATOM 0 H GLY A 53 -4.374 7.649 1.056 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -3.684 10.248 0.861 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -3.797 9.445 2.415 1.00 0.00 H new ATOM 744 N ILE A 54 -1.158 8.784 2.435 1.00 0.00 N ATOM 745 CA ILE A 54 0.316 8.939 2.715 1.00 0.00 C ATOM 746 C ILE A 54 1.042 8.920 1.367 1.00 0.00 C ATOM 747 O ILE A 54 1.869 9.776 1.161 1.00 0.00 O ATOM 748 CB ILE A 54 0.919 7.768 3.634 1.00 0.00 C ATOM 749 CG1 ILE A 54 -0.177 6.767 3.978 1.00 0.00 C ATOM 750 CG2 ILE A 54 1.415 8.442 4.939 1.00 0.00 C ATOM 751 CD1 ILE A 54 0.276 5.573 4.825 1.00 0.00 C ATOM 0 H ILE A 54 -1.600 7.968 2.858 1.00 0.00 H new ATOM 0 HA ILE A 54 0.457 9.872 3.261 1.00 0.00 H new ATOM 0 HB ILE A 54 1.723 7.242 3.120 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -0.971 7.290 4.511 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -0.609 6.392 3.050 1.00 0.00 H new ATOM 0 HG21 ILE A 54 1.836 7.686 5.602 1.00 0.00 H new ATOM 0 HG22 ILE A 54 2.180 9.181 4.699 1.00 0.00 H new ATOM 0 HG23 ILE A 54 0.578 8.934 5.435 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -0.575 4.919 5.016 1.00 0.00 H new ATOM 0 HD12 ILE A 54 1.047 5.019 4.290 1.00 0.00 H new ATOM 0 HD13 ILE A 54 0.679 5.931 5.772 1.00 0.00 H new ATOM 763 N ALA A 55 0.748 7.994 0.478 1.00 0.00 N ATOM 764 CA ALA A 55 1.426 7.943 -0.846 1.00 0.00 C ATOM 765 C ALA A 55 1.277 9.313 -1.540 1.00 0.00 C ATOM 766 O ALA A 55 2.110 9.710 -2.329 1.00 0.00 O ATOM 767 CB ALA A 55 0.781 6.744 -1.594 1.00 0.00 C ATOM 0 H ALA A 55 0.053 7.262 0.625 1.00 0.00 H new ATOM 0 HA ALA A 55 2.502 7.776 -0.800 1.00 0.00 H new ATOM 0 HB1 ALA A 55 1.233 6.645 -2.581 1.00 0.00 H new ATOM 0 HB2 ALA A 55 0.947 5.829 -1.026 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -0.290 6.916 -1.701 1.00 0.00 H new ATOM 773 N ARG A 56 0.214 9.995 -1.220 1.00 0.00 N ATOM 774 CA ARG A 56 -0.049 11.349 -1.806 1.00 0.00 C ATOM 775 C ARG A 56 0.806 12.362 -1.050 1.00 0.00 C ATOM 776 O ARG A 56 1.251 13.360 -1.580 1.00 0.00 O ATOM 777 CB ARG A 56 -1.501 11.736 -1.622 1.00 0.00 C ATOM 778 CG ARG A 56 -2.407 10.579 -1.998 1.00 0.00 C ATOM 779 CD ARG A 56 -3.647 11.181 -2.631 1.00 0.00 C ATOM 780 NE ARG A 56 -3.200 11.861 -3.894 1.00 0.00 N ATOM 781 CZ ARG A 56 -3.922 11.846 -4.942 1.00 0.00 C ATOM 782 NH1 ARG A 56 -3.926 10.825 -5.692 1.00 0.00 N ATOM 783 NH2 ARG A 56 -4.599 12.891 -5.155 1.00 0.00 N ATOM 0 H ARG A 56 -0.499 9.670 -0.567 1.00 0.00 H new ATOM 0 HA ARG A 56 0.187 11.332 -2.870 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -1.679 12.024 -0.586 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -1.734 12.604 -2.239 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -1.906 9.906 -2.694 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -2.669 9.991 -1.118 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -4.385 10.409 -2.848 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -4.120 11.893 -1.955 1.00 0.00 H new ATOM 0 HE ARG A 56 -2.302 12.343 -3.912 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -3.351 10.016 -5.456 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -4.504 10.812 -6.532 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -4.544 13.676 -4.506 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -5.201 12.950 -5.976 1.00 0.00 H new ATOM 797 N GLY A 57 1.012 12.065 0.201 1.00 0.00 N ATOM 798 CA GLY A 57 1.832 12.955 1.078 1.00 0.00 C ATOM 799 C GLY A 57 3.312 12.575 1.133 1.00 0.00 C ATOM 800 O GLY A 57 3.941 12.763 2.154 1.00 0.00 O ATOM 0 H GLY A 57 0.644 11.233 0.662 1.00 0.00 H new ATOM 0 HA2 GLY A 57 1.743 13.981 0.722 1.00 0.00 H new ATOM 0 HA3 GLY A 57 1.423 12.931 2.088 1.00 0.00 H new ATOM 804 N ILE A 58 3.843 12.050 0.060 1.00 0.00 N ATOM 805 CA ILE A 58 5.300 11.670 0.038 1.00 0.00 C ATOM 806 C ILE A 58 5.927 12.533 -1.067 1.00 0.00 C ATOM 807 O ILE A 58 5.241 12.955 -1.972 1.00 0.00 O ATOM 808 CB ILE A 58 5.561 10.183 -0.363 1.00 0.00 C ATOM 809 CG1 ILE A 58 4.486 9.302 0.271 1.00 0.00 C ATOM 810 CG2 ILE A 58 6.899 9.776 0.231 1.00 0.00 C ATOM 811 CD1 ILE A 58 4.648 7.766 0.108 1.00 0.00 C ATOM 0 H ILE A 58 3.336 11.865 -0.806 1.00 0.00 H new ATOM 0 HA ILE A 58 5.708 11.813 1.039 1.00 0.00 H new ATOM 0 HB ILE A 58 5.551 10.073 -1.447 1.00 0.00 H new ATOM 0 HG12 ILE A 58 4.448 9.528 1.337 1.00 0.00 H new ATOM 0 HG13 ILE A 58 3.522 9.588 -0.150 1.00 0.00 H new ATOM 0 HG21 ILE A 58 7.113 8.740 -0.031 1.00 0.00 H new ATOM 0 HG22 ILE A 58 7.684 10.420 -0.165 1.00 0.00 H new ATOM 0 HG23 ILE A 58 6.861 9.876 1.316 1.00 0.00 H new ATOM 0 HD11 ILE A 58 3.820 7.258 0.603 1.00 0.00 H new ATOM 0 HD12 ILE A 58 4.649 7.511 -0.952 1.00 0.00 H new ATOM 0 HD13 ILE A 58 5.589 7.450 0.558 1.00 0.00 H new ATOM 823 N HIS A 59 7.205 12.759 -0.975 1.00 0.00 N ATOM 824 CA HIS A 59 7.961 13.584 -1.984 1.00 0.00 C ATOM 825 C HIS A 59 7.453 13.509 -3.460 1.00 0.00 C ATOM 826 O HIS A 59 6.866 14.410 -4.024 1.00 0.00 O ATOM 827 CB HIS A 59 9.412 13.113 -1.854 1.00 0.00 C ATOM 828 CG HIS A 59 10.276 14.007 -2.736 1.00 0.00 C ATOM 829 ND1 HIS A 59 10.239 13.980 -4.025 1.00 0.00 N ATOM 830 CD2 HIS A 59 11.209 14.978 -2.436 1.00 0.00 C ATOM 831 CE1 HIS A 59 11.071 14.851 -4.503 1.00 0.00 C ATOM 832 NE2 HIS A 59 11.696 15.493 -3.548 1.00 0.00 N ATOM 0 H HIS A 59 7.786 12.397 -0.219 1.00 0.00 H new ATOM 0 HA HIS A 59 7.819 14.642 -1.762 1.00 0.00 H new ATOM 0 HB2 HIS A 59 9.740 13.170 -0.816 1.00 0.00 H new ATOM 0 HB3 HIS A 59 9.504 12.071 -2.161 1.00 0.00 H new ATOM 0 HD2 HIS A 59 11.498 15.273 -1.438 1.00 0.00 H new ATOM 0 HE1 HIS A 59 11.229 15.026 -5.557 1.00 0.00 H new ATOM 0 HE2 HIS A 59 12.400 16.225 -3.643 1.00 0.00 H new ATOM 840 N ASN A 60 7.760 12.371 -4.008 1.00 0.00 N ATOM 841 CA ASN A 60 7.414 11.976 -5.404 1.00 0.00 C ATOM 842 C ASN A 60 7.517 10.448 -5.396 1.00 0.00 C ATOM 843 O ASN A 60 8.432 9.906 -5.986 1.00 0.00 O ATOM 844 CB ASN A 60 8.427 12.598 -6.439 1.00 0.00 C ATOM 845 CG ASN A 60 8.087 12.201 -7.897 1.00 0.00 C ATOM 846 OD1 ASN A 60 7.706 11.010 -8.250 1.00 0.00 O flip ATOM 847 ND2 ASN A 60 8.171 13.006 -8.795 1.00 0.00 N flip ATOM 0 H ASN A 60 8.274 11.647 -3.507 1.00 0.00 H new ATOM 0 HA ASN A 60 6.427 12.330 -5.702 1.00 0.00 H new ATOM 0 HB2 ASN A 60 8.417 13.684 -6.348 1.00 0.00 H new ATOM 0 HB3 ASN A 60 9.438 12.267 -6.200 1.00 0.00 H new ATOM 0 HD21 ASN A 60 8.464 13.963 -8.597 1.00 0.00 H new ATOM 0 HD22 ASN A 60 7.949 12.729 -9.751 1.00 0.00 H new ATOM 854 N LEU A 61 6.597 9.815 -4.706 1.00 0.00 N ATOM 855 CA LEU A 61 6.581 8.316 -4.632 1.00 0.00 C ATOM 856 C LEU A 61 7.233 7.698 -5.908 1.00 0.00 C ATOM 857 O LEU A 61 6.831 7.978 -7.028 1.00 0.00 O ATOM 858 CB LEU A 61 5.066 7.960 -4.412 1.00 0.00 C ATOM 859 CG LEU A 61 4.678 6.468 -4.534 1.00 0.00 C ATOM 860 CD1 LEU A 61 4.455 6.130 -5.995 1.00 0.00 C ATOM 861 CD2 LEU A 61 5.747 5.530 -3.978 1.00 0.00 C ATOM 0 H LEU A 61 5.850 10.276 -4.186 1.00 0.00 H new ATOM 0 HA LEU A 61 7.178 7.897 -3.822 1.00 0.00 H new ATOM 0 HB2 LEU A 61 4.776 8.307 -3.420 1.00 0.00 H new ATOM 0 HB3 LEU A 61 4.476 8.525 -5.133 1.00 0.00 H new ATOM 0 HG LEU A 61 3.771 6.324 -3.947 1.00 0.00 H new ATOM 0 HD11 LEU A 61 4.181 5.079 -6.088 1.00 0.00 H new ATOM 0 HD12 LEU A 61 3.653 6.751 -6.394 1.00 0.00 H new ATOM 0 HD13 LEU A 61 5.371 6.317 -6.556 1.00 0.00 H new ATOM 0 HD21 LEU A 61 5.419 4.497 -4.091 1.00 0.00 H new ATOM 0 HD22 LEU A 61 6.679 5.677 -4.524 1.00 0.00 H new ATOM 0 HD23 LEU A 61 5.907 5.746 -2.922 1.00 0.00 H new ATOM 873 N ASN A 62 8.233 6.874 -5.726 1.00 0.00 N ATOM 874 CA ASN A 62 8.892 6.262 -6.915 1.00 0.00 C ATOM 875 C ASN A 62 8.257 4.893 -7.194 1.00 0.00 C ATOM 876 O ASN A 62 8.781 3.855 -6.819 1.00 0.00 O ATOM 877 CB ASN A 62 10.378 6.141 -6.603 1.00 0.00 C ATOM 878 CG ASN A 62 11.057 5.710 -7.883 1.00 0.00 C ATOM 879 OD1 ASN A 62 10.871 4.515 -8.334 1.00 0.00 O flip ATOM 880 ND2 ASN A 62 11.770 6.454 -8.515 1.00 0.00 N flip ATOM 0 H ASN A 62 8.616 6.603 -4.820 1.00 0.00 H new ATOM 0 HA ASN A 62 8.762 6.873 -7.808 1.00 0.00 H new ATOM 0 HB2 ASN A 62 10.779 7.093 -6.254 1.00 0.00 H new ATOM 0 HB3 ASN A 62 10.549 5.413 -5.810 1.00 0.00 H new ATOM 0 HD21 ASN A 62 11.936 7.404 -8.184 1.00 0.00 H new ATOM 0 HD22 ASN A 62 12.205 6.131 -9.379 1.00 0.00 H new ATOM 887 N LEU A 63 7.130 4.993 -7.855 1.00 0.00 N ATOM 888 CA LEU A 63 6.289 3.815 -8.261 1.00 0.00 C ATOM 889 C LEU A 63 6.992 2.459 -8.381 1.00 0.00 C ATOM 890 O LEU A 63 6.488 1.462 -7.910 1.00 0.00 O ATOM 891 CB LEU A 63 5.567 4.208 -9.602 1.00 0.00 C ATOM 892 CG LEU A 63 6.361 3.905 -10.902 1.00 0.00 C ATOM 893 CD1 LEU A 63 6.112 2.432 -11.341 1.00 0.00 C ATOM 894 CD2 LEU A 63 5.804 4.812 -12.003 1.00 0.00 C ATOM 0 H LEU A 63 6.738 5.889 -8.145 1.00 0.00 H new ATOM 0 HA LEU A 63 5.595 3.631 -7.441 1.00 0.00 H new ATOM 0 HB2 LEU A 63 4.613 3.682 -9.649 1.00 0.00 H new ATOM 0 HB3 LEU A 63 5.342 5.274 -9.574 1.00 0.00 H new ATOM 0 HG LEU A 63 7.425 4.068 -10.733 1.00 0.00 H new ATOM 0 HD11 LEU A 63 6.671 2.225 -12.253 1.00 0.00 H new ATOM 0 HD12 LEU A 63 6.442 1.756 -10.552 1.00 0.00 H new ATOM 0 HD13 LEU A 63 5.048 2.282 -11.526 1.00 0.00 H new ATOM 0 HD21 LEU A 63 6.340 4.626 -12.934 1.00 0.00 H new ATOM 0 HD22 LEU A 63 4.744 4.602 -12.146 1.00 0.00 H new ATOM 0 HD23 LEU A 63 5.931 5.855 -11.714 1.00 0.00 H new ATOM 906 N ASN A 64 8.136 2.441 -9.015 1.00 0.00 N ATOM 907 CA ASN A 64 8.910 1.165 -9.177 1.00 0.00 C ATOM 908 C ASN A 64 8.893 0.379 -7.842 1.00 0.00 C ATOM 909 O ASN A 64 8.518 -0.775 -7.789 1.00 0.00 O ATOM 910 CB ASN A 64 10.321 1.587 -9.619 1.00 0.00 C ATOM 911 CG ASN A 64 11.334 0.456 -9.637 1.00 0.00 C ATOM 912 OD1 ASN A 64 11.108 -0.658 -9.230 1.00 0.00 O ATOM 913 ND2 ASN A 64 12.502 0.718 -10.109 1.00 0.00 N ATOM 0 H ASN A 64 8.574 3.262 -9.433 1.00 0.00 H new ATOM 0 HA ASN A 64 8.484 0.492 -9.921 1.00 0.00 H new ATOM 0 HB2 ASN A 64 10.262 2.022 -10.617 1.00 0.00 H new ATOM 0 HB3 ASN A 64 10.680 2.370 -8.951 1.00 0.00 H new ATOM 0 HD21 ASN A 64 13.217 -0.009 -10.134 1.00 0.00 H new ATOM 0 HD22 ASN A 64 12.713 1.653 -10.458 1.00 0.00 H new ATOM 920 N ASN A 65 9.273 1.046 -6.780 1.00 0.00 N ATOM 921 CA ASN A 65 9.292 0.367 -5.448 1.00 0.00 C ATOM 922 C ASN A 65 7.902 -0.192 -5.158 1.00 0.00 C ATOM 923 O ASN A 65 7.714 -1.368 -4.904 1.00 0.00 O ATOM 924 CB ASN A 65 9.662 1.377 -4.385 1.00 0.00 C ATOM 925 CG ASN A 65 11.132 1.763 -4.415 1.00 0.00 C ATOM 926 OD1 ASN A 65 12.014 0.942 -4.550 1.00 0.00 O ATOM 927 ND2 ASN A 65 11.474 3.006 -4.285 1.00 0.00 N ATOM 0 H ASN A 65 9.568 2.022 -6.777 1.00 0.00 H new ATOM 0 HA ASN A 65 10.020 -0.444 -5.450 1.00 0.00 H new ATOM 0 HB2 ASN A 65 9.055 2.273 -4.516 1.00 0.00 H new ATOM 0 HB3 ASN A 65 9.420 0.968 -3.404 1.00 0.00 H new ATOM 0 HD21 ASN A 65 12.460 3.268 -4.298 1.00 0.00 H new ATOM 0 HD22 ASN A 65 10.757 3.723 -4.170 1.00 0.00 H new ATOM 934 N ALA A 66 6.982 0.729 -5.233 1.00 0.00 N ATOM 935 CA ALA A 66 5.551 0.412 -4.983 1.00 0.00 C ATOM 936 C ALA A 66 5.081 -0.846 -5.739 1.00 0.00 C ATOM 937 O ALA A 66 4.498 -1.714 -5.125 1.00 0.00 O ATOM 938 CB ALA A 66 4.777 1.687 -5.370 1.00 0.00 C ATOM 0 H ALA A 66 7.167 1.706 -5.461 1.00 0.00 H new ATOM 0 HA ALA A 66 5.373 0.155 -3.939 1.00 0.00 H new ATOM 0 HB1 ALA A 66 3.710 1.527 -5.211 1.00 0.00 H new ATOM 0 HB2 ALA A 66 5.115 2.519 -4.753 1.00 0.00 H new ATOM 0 HB3 ALA A 66 4.957 1.917 -6.420 1.00 0.00 H new ATOM 944 N ALA A 67 5.353 -0.923 -7.018 1.00 0.00 N ATOM 945 CA ALA A 67 4.934 -2.118 -7.849 1.00 0.00 C ATOM 946 C ALA A 67 5.738 -3.380 -7.478 1.00 0.00 C ATOM 947 O ALA A 67 5.251 -4.501 -7.483 1.00 0.00 O ATOM 948 CB ALA A 67 5.165 -1.775 -9.311 1.00 0.00 C ATOM 0 H ALA A 67 5.855 -0.203 -7.538 1.00 0.00 H new ATOM 0 HA ALA A 67 3.883 -2.335 -7.658 1.00 0.00 H new ATOM 0 HB1 ALA A 67 4.871 -2.620 -9.934 1.00 0.00 H new ATOM 0 HB2 ALA A 67 4.569 -0.902 -9.579 1.00 0.00 H new ATOM 0 HB3 ALA A 67 6.221 -1.556 -9.471 1.00 0.00 H new ATOM 954 N SER A 68 6.974 -3.106 -7.161 1.00 0.00 N ATOM 955 CA SER A 68 7.934 -4.160 -6.767 1.00 0.00 C ATOM 956 C SER A 68 7.284 -4.858 -5.599 1.00 0.00 C ATOM 957 O SER A 68 7.154 -6.069 -5.623 1.00 0.00 O ATOM 958 CB SER A 68 9.275 -3.472 -6.392 1.00 0.00 C ATOM 959 OG SER A 68 9.674 -3.958 -5.106 1.00 0.00 O ATOM 0 H SER A 68 7.364 -2.163 -7.161 1.00 0.00 H new ATOM 0 HA SER A 68 8.160 -4.884 -7.550 1.00 0.00 H new ATOM 0 HB2 SER A 68 10.039 -3.693 -7.137 1.00 0.00 H new ATOM 0 HB3 SER A 68 9.155 -2.389 -6.370 1.00 0.00 H new ATOM 0 HG SER A 68 9.941 -3.204 -4.540 1.00 0.00 H new ATOM 965 N ILE A 69 6.894 -4.067 -4.626 1.00 0.00 N ATOM 966 CA ILE A 69 6.247 -4.658 -3.431 1.00 0.00 C ATOM 967 C ILE A 69 5.310 -5.821 -3.817 1.00 0.00 C ATOM 968 O ILE A 69 5.674 -6.940 -3.520 1.00 0.00 O ATOM 969 CB ILE A 69 5.476 -3.521 -2.606 1.00 0.00 C ATOM 970 CG1 ILE A 69 6.453 -2.461 -2.000 1.00 0.00 C ATOM 971 CG2 ILE A 69 4.730 -4.113 -1.441 1.00 0.00 C ATOM 972 CD1 ILE A 69 7.445 -3.117 -0.953 1.00 0.00 C ATOM 0 H ILE A 69 6.998 -3.052 -4.615 1.00 0.00 H new ATOM 0 HA ILE A 69 7.020 -5.078 -2.788 1.00 0.00 H new ATOM 0 HB ILE A 69 4.801 -3.051 -3.321 1.00 0.00 H new ATOM 0 HG12 ILE A 69 7.025 -1.992 -2.801 1.00 0.00 H new ATOM 0 HG13 ILE A 69 5.879 -1.672 -1.514 1.00 0.00 H new ATOM 0 HG21 ILE A 69 4.215 -3.320 -0.898 1.00 0.00 H new ATOM 0 HG22 ILE A 69 4.000 -4.836 -1.806 1.00 0.00 H new ATOM 0 HG23 ILE A 69 5.433 -4.612 -0.774 1.00 0.00 H new ATOM 0 HD11 ILE A 69 8.109 -2.351 -0.552 1.00 0.00 H new ATOM 0 HD12 ILE A 69 6.873 -3.563 -0.140 1.00 0.00 H new ATOM 0 HD13 ILE A 69 8.036 -3.889 -1.446 1.00 0.00 H new ATOM 984 N PRO A 70 4.173 -5.635 -4.467 1.00 0.00 N ATOM 985 CA PRO A 70 3.271 -6.768 -4.794 1.00 0.00 C ATOM 986 C PRO A 70 3.963 -7.802 -5.691 1.00 0.00 C ATOM 987 O PRO A 70 3.803 -8.983 -5.425 1.00 0.00 O ATOM 988 CB PRO A 70 2.040 -6.104 -5.442 1.00 0.00 C ATOM 989 CG PRO A 70 2.666 -4.890 -6.122 1.00 0.00 C ATOM 990 CD PRO A 70 3.606 -4.375 -5.001 1.00 0.00 C ATOM 0 HA PRO A 70 2.981 -7.348 -3.918 1.00 0.00 H new ATOM 0 HB2 PRO A 70 1.547 -6.764 -6.156 1.00 0.00 H new ATOM 0 HB3 PRO A 70 1.292 -5.819 -4.702 1.00 0.00 H new ATOM 0 HG2 PRO A 70 3.212 -5.160 -7.026 1.00 0.00 H new ATOM 0 HG3 PRO A 70 1.921 -4.148 -6.409 1.00 0.00 H new ATOM 0 HD2 PRO A 70 4.379 -3.713 -5.390 1.00 0.00 H new ATOM 0 HD3 PRO A 70 3.063 -3.817 -4.238 1.00 0.00 H new ATOM 998 N SER A 71 4.692 -7.332 -6.687 1.00 0.00 N ATOM 999 CA SER A 71 5.407 -8.259 -7.629 1.00 0.00 C ATOM 1000 C SER A 71 6.233 -9.316 -6.892 1.00 0.00 C ATOM 1001 O SER A 71 6.290 -10.447 -7.326 1.00 0.00 O ATOM 1002 CB SER A 71 6.325 -7.436 -8.547 1.00 0.00 C ATOM 1003 OG SER A 71 6.836 -8.383 -9.485 1.00 0.00 O ATOM 0 H SER A 71 4.821 -6.340 -6.886 1.00 0.00 H new ATOM 0 HA SER A 71 4.652 -8.786 -8.213 1.00 0.00 H new ATOM 0 HB2 SER A 71 5.775 -6.639 -9.047 1.00 0.00 H new ATOM 0 HB3 SER A 71 7.129 -6.963 -7.983 1.00 0.00 H new ATOM 0 HG SER A 71 7.436 -7.930 -10.113 1.00 0.00 H new ATOM 1009 N LYS A 72 6.861 -8.905 -5.825 1.00 0.00 N ATOM 1010 CA LYS A 72 7.695 -9.858 -5.015 1.00 0.00 C ATOM 1011 C LYS A 72 6.951 -10.414 -3.782 1.00 0.00 C ATOM 1012 O LYS A 72 6.965 -11.597 -3.510 1.00 0.00 O ATOM 1013 CB LYS A 72 8.933 -9.090 -4.630 1.00 0.00 C ATOM 1014 CG LYS A 72 9.616 -8.648 -5.955 1.00 0.00 C ATOM 1015 CD LYS A 72 10.114 -7.222 -5.756 1.00 0.00 C ATOM 1016 CE LYS A 72 11.222 -7.220 -4.729 1.00 0.00 C ATOM 1017 NZ LYS A 72 11.551 -5.799 -4.460 1.00 0.00 N ATOM 0 H LYS A 72 6.837 -7.948 -5.472 1.00 0.00 H new ATOM 0 HA LYS A 72 7.939 -10.746 -5.599 1.00 0.00 H new ATOM 0 HB2 LYS A 72 8.677 -8.224 -4.019 1.00 0.00 H new ATOM 0 HB3 LYS A 72 9.605 -9.711 -4.037 1.00 0.00 H new ATOM 0 HG2 LYS A 72 10.444 -9.313 -6.201 1.00 0.00 H new ATOM 0 HG3 LYS A 72 8.911 -8.696 -6.785 1.00 0.00 H new ATOM 0 HD2 LYS A 72 10.477 -6.816 -6.700 1.00 0.00 H new ATOM 0 HD3 LYS A 72 9.296 -6.581 -5.427 1.00 0.00 H new ATOM 0 HE2 LYS A 72 10.904 -7.723 -3.816 1.00 0.00 H new ATOM 0 HE3 LYS A 72 12.095 -7.756 -5.101 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 11.791 -5.682 -3.455 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 12.362 -5.514 -5.045 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 10.731 -5.203 -4.692 1.00 0.00 H new ATOM 1031 N CYS A 73 6.314 -9.547 -3.047 1.00 0.00 N ATOM 1032 CA CYS A 73 5.543 -9.941 -1.824 1.00 0.00 C ATOM 1033 C CYS A 73 4.511 -11.043 -2.131 1.00 0.00 C ATOM 1034 O CYS A 73 4.140 -11.817 -1.265 1.00 0.00 O ATOM 1035 CB CYS A 73 4.870 -8.666 -1.294 1.00 0.00 C ATOM 1036 SG CYS A 73 5.961 -7.314 -0.789 1.00 0.00 S ATOM 0 H CYS A 73 6.293 -8.547 -3.247 1.00 0.00 H new ATOM 0 HA CYS A 73 6.209 -10.365 -1.072 1.00 0.00 H new ATOM 0 HB2 CYS A 73 4.199 -8.290 -2.067 1.00 0.00 H new ATOM 0 HB3 CYS A 73 4.251 -8.939 -0.440 1.00 0.00 H new ATOM 1041 N ASN A 74 4.087 -11.037 -3.372 1.00 0.00 N ATOM 1042 CA ASN A 74 3.086 -12.009 -3.925 1.00 0.00 C ATOM 1043 C ASN A 74 1.658 -11.633 -3.490 1.00 0.00 C ATOM 1044 O ASN A 74 0.891 -12.432 -2.983 1.00 0.00 O ATOM 1045 CB ASN A 74 3.471 -13.471 -3.453 1.00 0.00 C ATOM 1046 CG ASN A 74 3.730 -14.297 -4.690 1.00 0.00 C ATOM 1047 OD1 ASN A 74 4.817 -14.341 -5.215 1.00 0.00 O ATOM 1048 ND2 ASN A 74 2.770 -14.973 -5.226 1.00 0.00 N ATOM 0 H ASN A 74 4.413 -10.360 -4.062 1.00 0.00 H new ATOM 0 HA ASN A 74 3.106 -11.973 -5.014 1.00 0.00 H new ATOM 0 HB2 ASN A 74 4.355 -13.447 -2.816 1.00 0.00 H new ATOM 0 HB3 ASN A 74 2.665 -13.907 -2.863 1.00 0.00 H new ATOM 0 HD21 ASN A 74 2.942 -15.523 -6.068 1.00 0.00 H new ATOM 0 HD22 ASN A 74 1.840 -14.957 -4.808 1.00 0.00 H new ATOM 1055 N VAL A 75 1.380 -10.377 -3.716 1.00 0.00 N ATOM 1056 CA VAL A 75 0.032 -9.808 -3.368 1.00 0.00 C ATOM 1057 C VAL A 75 -0.663 -9.231 -4.613 1.00 0.00 C ATOM 1058 O VAL A 75 -1.313 -8.217 -4.565 1.00 0.00 O ATOM 1059 CB VAL A 75 0.166 -8.671 -2.299 1.00 0.00 C ATOM 1060 CG1 VAL A 75 -0.857 -8.909 -1.175 1.00 0.00 C ATOM 1061 CG2 VAL A 75 1.548 -8.571 -1.698 1.00 0.00 C ATOM 0 H VAL A 75 2.031 -9.710 -4.130 1.00 0.00 H new ATOM 0 HA VAL A 75 -0.567 -10.624 -2.963 1.00 0.00 H new ATOM 0 HB VAL A 75 -0.024 -7.730 -2.815 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -0.767 -8.120 -0.428 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -1.864 -8.901 -1.592 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -0.665 -9.875 -0.707 1.00 0.00 H new ATOM 0 HG21 VAL A 75 1.569 -7.763 -0.966 1.00 0.00 H new ATOM 0 HG22 VAL A 75 1.801 -9.511 -1.208 1.00 0.00 H new ATOM 0 HG23 VAL A 75 2.273 -8.366 -2.485 1.00 0.00 H new ATOM 1071 N ASN A 76 -0.483 -9.908 -5.709 1.00 0.00 N ATOM 1072 CA ASN A 76 -1.081 -9.543 -7.055 1.00 0.00 C ATOM 1073 C ASN A 76 -2.263 -8.516 -7.022 1.00 0.00 C ATOM 1074 O ASN A 76 -3.402 -8.919 -7.152 1.00 0.00 O ATOM 1075 CB ASN A 76 -1.498 -10.887 -7.655 1.00 0.00 C ATOM 1076 CG ASN A 76 -2.371 -11.660 -6.655 1.00 0.00 C ATOM 1077 OD1 ASN A 76 -3.018 -11.078 -5.688 1.00 0.00 O flip ATOM 1078 ND2 ASN A 76 -2.479 -12.861 -6.745 1.00 0.00 N flip ATOM 0 H ASN A 76 0.087 -10.753 -5.742 1.00 0.00 H new ATOM 0 HA ASN A 76 -0.346 -9.005 -7.654 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -2.048 -10.726 -8.582 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -0.614 -11.472 -7.907 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -1.991 -13.363 -7.487 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -3.058 -13.372 -6.079 1.00 0.00 H new ATOM 1085 N VAL A 77 -2.017 -7.247 -6.844 1.00 0.00 N ATOM 1086 CA VAL A 77 -3.170 -6.281 -6.800 1.00 0.00 C ATOM 1087 C VAL A 77 -2.983 -4.950 -7.600 1.00 0.00 C ATOM 1088 O VAL A 77 -1.862 -4.573 -7.878 1.00 0.00 O ATOM 1089 CB VAL A 77 -3.374 -6.091 -5.286 1.00 0.00 C ATOM 1090 CG1 VAL A 77 -2.205 -5.300 -4.675 1.00 0.00 C ATOM 1091 CG2 VAL A 77 -4.721 -5.503 -4.943 1.00 0.00 C ATOM 0 H VAL A 77 -1.091 -6.836 -6.729 1.00 0.00 H new ATOM 0 HA VAL A 77 -4.048 -6.669 -7.316 1.00 0.00 H new ATOM 0 HB VAL A 77 -3.374 -7.081 -4.831 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -2.369 -5.177 -3.604 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -1.274 -5.842 -4.839 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -2.143 -4.320 -5.148 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -4.805 -5.393 -3.862 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -4.823 -4.526 -5.416 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -5.509 -6.164 -5.303 1.00 0.00 H new ATOM 1101 N PRO A 78 -4.063 -4.277 -7.955 1.00 0.00 N ATOM 1102 CA PRO A 78 -4.039 -2.811 -8.255 1.00 0.00 C ATOM 1103 C PRO A 78 -3.672 -1.883 -7.065 1.00 0.00 C ATOM 1104 O PRO A 78 -2.944 -0.920 -7.232 1.00 0.00 O ATOM 1105 CB PRO A 78 -5.442 -2.538 -8.818 1.00 0.00 C ATOM 1106 CG PRO A 78 -5.924 -3.943 -9.289 1.00 0.00 C ATOM 1107 CD PRO A 78 -5.422 -4.854 -8.163 1.00 0.00 C ATOM 0 HA PRO A 78 -3.235 -2.574 -8.952 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -6.104 -2.120 -8.060 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -5.412 -1.826 -9.643 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -7.008 -3.987 -9.395 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -5.498 -4.217 -10.254 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -6.043 -4.793 -7.269 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -5.390 -5.903 -8.458 1.00 0.00 H new ATOM 1115 N TYR A 79 -4.165 -2.164 -5.873 1.00 0.00 N ATOM 1116 CA TYR A 79 -3.810 -1.269 -4.747 1.00 0.00 C ATOM 1117 C TYR A 79 -2.435 -1.640 -4.164 1.00 0.00 C ATOM 1118 O TYR A 79 -2.222 -2.552 -3.394 1.00 0.00 O ATOM 1119 CB TYR A 79 -4.987 -1.333 -3.677 1.00 0.00 C ATOM 1120 CG TYR A 79 -5.277 -2.598 -2.833 1.00 0.00 C ATOM 1121 CD1 TYR A 79 -4.382 -3.068 -1.893 1.00 0.00 C ATOM 1122 CD2 TYR A 79 -6.479 -3.265 -2.965 1.00 0.00 C ATOM 1123 CE1 TYR A 79 -4.656 -4.161 -1.105 1.00 0.00 C ATOM 1124 CE2 TYR A 79 -6.760 -4.364 -2.167 1.00 0.00 C ATOM 1125 CZ TYR A 79 -5.845 -4.816 -1.230 1.00 0.00 C ATOM 1126 OH TYR A 79 -6.064 -5.888 -0.397 1.00 0.00 O ATOM 0 H TYR A 79 -4.776 -2.949 -5.649 1.00 0.00 H new ATOM 0 HA TYR A 79 -3.710 -0.238 -5.086 1.00 0.00 H new ATOM 0 HB2 TYR A 79 -4.811 -0.521 -2.971 1.00 0.00 H new ATOM 0 HB3 TYR A 79 -5.907 -1.097 -4.211 1.00 0.00 H new ATOM 0 HD1 TYR A 79 -3.436 -2.561 -1.773 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -7.203 -2.929 -3.693 1.00 0.00 H new ATOM 0 HE1 TYR A 79 -3.927 -4.502 -0.385 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -7.705 -4.875 -2.278 1.00 0.00 H new ATOM 0 HH TYR A 79 -6.719 -6.491 -0.806 1.00 0.00 H new ATOM 1136 N THR A 80 -1.485 -0.886 -4.626 1.00 0.00 N ATOM 1137 CA THR A 80 -0.070 -1.058 -4.186 1.00 0.00 C ATOM 1138 C THR A 80 0.347 0.355 -3.838 1.00 0.00 C ATOM 1139 O THR A 80 0.192 1.210 -4.682 1.00 0.00 O ATOM 1140 CB THR A 80 0.818 -1.648 -5.346 1.00 0.00 C ATOM 1141 OG1 THR A 80 1.878 -0.761 -5.674 1.00 0.00 O ATOM 1142 CG2 THR A 80 0.108 -1.700 -6.685 1.00 0.00 C ATOM 0 H THR A 80 -1.628 -0.139 -5.306 1.00 0.00 H new ATOM 0 HA THR A 80 0.043 -1.756 -3.356 1.00 0.00 H new ATOM 0 HB THR A 80 1.108 -2.626 -4.963 1.00 0.00 H new ATOM 0 HG1 THR A 80 2.721 -1.113 -5.319 1.00 0.00 H new ATOM 0 HG21 THR A 80 0.779 -2.117 -7.436 1.00 0.00 H new ATOM 0 HG22 THR A 80 -0.779 -2.328 -6.602 1.00 0.00 H new ATOM 0 HG23 THR A 80 -0.186 -0.693 -6.980 1.00 0.00 H new ATOM 1150 N ILE A 81 0.858 0.589 -2.668 1.00 0.00 N ATOM 1151 CA ILE A 81 1.301 1.957 -2.221 1.00 0.00 C ATOM 1152 C ILE A 81 1.478 3.058 -3.297 1.00 0.00 C ATOM 1153 O ILE A 81 2.560 3.440 -3.694 1.00 0.00 O ATOM 1154 CB ILE A 81 2.595 1.656 -1.410 1.00 0.00 C ATOM 1155 CG1 ILE A 81 3.256 2.900 -0.792 1.00 0.00 C ATOM 1156 CG2 ILE A 81 3.646 0.959 -2.282 1.00 0.00 C ATOM 1157 CD1 ILE A 81 2.277 3.512 0.232 1.00 0.00 C ATOM 0 H ILE A 81 0.997 -0.137 -1.965 1.00 0.00 H new ATOM 0 HA ILE A 81 0.506 2.434 -1.647 1.00 0.00 H new ATOM 0 HB ILE A 81 2.260 1.010 -0.598 1.00 0.00 H new ATOM 0 HG12 ILE A 81 4.194 2.630 -0.306 1.00 0.00 H new ATOM 0 HG13 ILE A 81 3.497 3.627 -1.568 1.00 0.00 H new ATOM 0 HG21 ILE A 81 4.539 0.762 -1.688 1.00 0.00 H new ATOM 0 HG22 ILE A 81 3.243 0.018 -2.655 1.00 0.00 H new ATOM 0 HG23 ILE A 81 3.905 1.602 -3.123 1.00 0.00 H new ATOM 0 HD11 ILE A 81 2.727 4.397 0.682 1.00 0.00 H new ATOM 0 HD12 ILE A 81 1.352 3.792 -0.272 1.00 0.00 H new ATOM 0 HD13 ILE A 81 2.059 2.780 1.010 1.00 0.00 H new ATOM 1169 N SER A 82 0.333 3.529 -3.738 1.00 0.00 N ATOM 1170 CA SER A 82 0.270 4.609 -4.779 1.00 0.00 C ATOM 1171 C SER A 82 -0.706 5.686 -4.314 1.00 0.00 C ATOM 1172 O SER A 82 -1.694 5.372 -3.685 1.00 0.00 O ATOM 1173 CB SER A 82 -0.259 4.090 -6.102 1.00 0.00 C ATOM 1174 OG SER A 82 0.752 3.182 -6.499 1.00 0.00 O ATOM 0 H SER A 82 -0.578 3.204 -3.414 1.00 0.00 H new ATOM 0 HA SER A 82 1.282 4.990 -4.913 1.00 0.00 H new ATOM 0 HB2 SER A 82 -1.225 3.598 -5.988 1.00 0.00 H new ATOM 0 HB3 SER A 82 -0.393 4.892 -6.828 1.00 0.00 H new ATOM 0 HG SER A 82 0.690 2.366 -5.959 1.00 0.00 H new ATOM 1180 N PRO A 83 -0.456 6.939 -4.605 1.00 0.00 N ATOM 1181 CA PRO A 83 -1.528 7.976 -4.752 1.00 0.00 C ATOM 1182 C PRO A 83 -2.707 7.748 -5.763 1.00 0.00 C ATOM 1183 O PRO A 83 -3.812 8.181 -5.482 1.00 0.00 O ATOM 1184 CB PRO A 83 -0.692 9.266 -5.044 1.00 0.00 C ATOM 1185 CG PRO A 83 0.587 8.721 -5.718 1.00 0.00 C ATOM 1186 CD PRO A 83 0.901 7.534 -4.816 1.00 0.00 C ATOM 0 HA PRO A 83 -2.141 7.992 -3.851 1.00 0.00 H new ATOM 0 HB2 PRO A 83 -1.229 9.953 -5.698 1.00 0.00 H new ATOM 0 HB3 PRO A 83 -0.462 9.811 -4.129 1.00 0.00 H new ATOM 0 HG2 PRO A 83 0.414 8.420 -6.751 1.00 0.00 H new ATOM 0 HG3 PRO A 83 1.393 9.455 -5.730 1.00 0.00 H new ATOM 0 HD2 PRO A 83 1.586 6.831 -5.290 1.00 0.00 H new ATOM 0 HD3 PRO A 83 1.361 7.844 -3.878 1.00 0.00 H new ATOM 1194 N ASP A 84 -2.487 7.102 -6.880 1.00 0.00 N ATOM 1195 CA ASP A 84 -3.567 6.848 -7.915 1.00 0.00 C ATOM 1196 C ASP A 84 -4.428 5.532 -7.730 1.00 0.00 C ATOM 1197 O ASP A 84 -4.667 4.717 -8.604 1.00 0.00 O ATOM 1198 CB ASP A 84 -2.777 6.910 -9.266 1.00 0.00 C ATOM 1199 CG ASP A 84 -3.702 7.110 -10.463 1.00 0.00 C ATOM 1200 OD1 ASP A 84 -4.331 8.156 -10.459 1.00 0.00 O ATOM 1201 OD2 ASP A 84 -3.723 6.237 -11.307 1.00 0.00 O ATOM 0 H ASP A 84 -1.575 6.723 -7.136 1.00 0.00 H new ATOM 0 HA ASP A 84 -4.364 7.588 -7.840 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -2.055 7.726 -9.226 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -2.210 5.988 -9.397 1.00 0.00 H new ATOM 1206 N ILE A 85 -4.861 5.392 -6.502 1.00 0.00 N ATOM 1207 CA ILE A 85 -5.717 4.239 -6.040 1.00 0.00 C ATOM 1208 C ILE A 85 -7.261 4.503 -5.909 1.00 0.00 C ATOM 1209 O ILE A 85 -7.721 5.213 -5.021 1.00 0.00 O ATOM 1210 CB ILE A 85 -5.033 3.776 -4.715 1.00 0.00 C ATOM 1211 CG1 ILE A 85 -3.879 2.869 -5.151 1.00 0.00 C ATOM 1212 CG2 ILE A 85 -5.968 2.978 -3.831 1.00 0.00 C ATOM 1213 CD1 ILE A 85 -3.030 2.382 -3.955 1.00 0.00 C ATOM 0 H ILE A 85 -4.648 6.060 -5.761 1.00 0.00 H new ATOM 0 HA ILE A 85 -5.745 3.462 -6.804 1.00 0.00 H new ATOM 0 HB ILE A 85 -4.715 4.643 -4.136 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -4.279 2.007 -5.684 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -3.241 3.408 -5.851 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -5.444 2.680 -2.923 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -6.831 3.590 -3.568 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -6.303 2.089 -4.365 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -2.225 1.742 -4.317 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -2.605 3.241 -3.436 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -3.660 1.818 -3.267 1.00 0.00 H new ATOM 1225 N ASP A 86 -8.009 3.892 -6.797 1.00 0.00 N ATOM 1226 CA ASP A 86 -9.498 4.010 -6.859 1.00 0.00 C ATOM 1227 C ASP A 86 -10.229 3.049 -5.885 1.00 0.00 C ATOM 1228 O ASP A 86 -11.147 2.311 -6.202 1.00 0.00 O ATOM 1229 CB ASP A 86 -9.793 3.756 -8.334 1.00 0.00 C ATOM 1230 CG ASP A 86 -11.242 3.963 -8.742 1.00 0.00 C ATOM 1231 OD1 ASP A 86 -12.108 4.244 -7.925 1.00 0.00 O ATOM 1232 OD2 ASP A 86 -11.369 3.807 -9.942 1.00 0.00 O ATOM 0 H ASP A 86 -7.622 3.284 -7.519 1.00 0.00 H new ATOM 0 HA ASP A 86 -9.869 4.979 -6.526 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -9.164 4.414 -8.934 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -9.505 2.733 -8.576 1.00 0.00 H new ATOM 1237 N CYS A 87 -9.733 3.117 -4.682 1.00 0.00 N ATOM 1238 CA CYS A 87 -10.223 2.323 -3.510 1.00 0.00 C ATOM 1239 C CYS A 87 -11.654 1.774 -3.604 1.00 0.00 C ATOM 1240 O CYS A 87 -11.928 0.632 -3.321 1.00 0.00 O ATOM 1241 CB CYS A 87 -10.068 3.230 -2.303 1.00 0.00 C ATOM 1242 SG CYS A 87 -8.387 3.772 -1.963 1.00 0.00 S ATOM 0 H CYS A 87 -8.955 3.733 -4.447 1.00 0.00 H new ATOM 0 HA CYS A 87 -9.628 1.411 -3.453 1.00 0.00 H new ATOM 0 HB2 CYS A 87 -10.694 4.110 -2.447 1.00 0.00 H new ATOM 0 HB3 CYS A 87 -10.449 2.708 -1.425 1.00 0.00 H new ATOM 1247 N SER A 88 -12.534 2.642 -3.996 1.00 0.00 N ATOM 1248 CA SER A 88 -13.986 2.308 -4.155 1.00 0.00 C ATOM 1249 C SER A 88 -14.320 1.144 -5.075 1.00 0.00 C ATOM 1250 O SER A 88 -15.004 0.219 -4.676 1.00 0.00 O ATOM 1251 CB SER A 88 -14.713 3.538 -4.669 1.00 0.00 C ATOM 1252 OG SER A 88 -14.904 4.275 -3.469 1.00 0.00 O ATOM 0 H SER A 88 -12.305 3.610 -4.224 1.00 0.00 H new ATOM 0 HA SER A 88 -14.307 1.991 -3.163 1.00 0.00 H new ATOM 0 HB2 SER A 88 -14.121 4.089 -5.399 1.00 0.00 H new ATOM 0 HB3 SER A 88 -15.658 3.285 -5.150 1.00 0.00 H new ATOM 0 HG SER A 88 -15.373 5.112 -3.670 1.00 0.00 H new ATOM 1258 N ARG A 89 -13.825 1.220 -6.279 1.00 0.00 N ATOM 1259 CA ARG A 89 -14.095 0.138 -7.290 1.00 0.00 C ATOM 1260 C ARG A 89 -12.850 -0.627 -7.767 1.00 0.00 C ATOM 1261 O ARG A 89 -12.960 -1.733 -8.252 1.00 0.00 O ATOM 1262 CB ARG A 89 -14.802 0.786 -8.506 1.00 0.00 C ATOM 1263 CG ARG A 89 -13.839 1.787 -9.190 1.00 0.00 C ATOM 1264 CD ARG A 89 -14.355 2.057 -10.613 1.00 0.00 C ATOM 1265 NE ARG A 89 -13.204 2.704 -11.320 1.00 0.00 N ATOM 1266 CZ ARG A 89 -12.570 2.114 -12.256 1.00 0.00 C ATOM 1267 NH1 ARG A 89 -13.191 1.622 -13.239 1.00 0.00 N ATOM 1268 NH2 ARG A 89 -11.314 2.064 -12.108 1.00 0.00 N ATOM 0 H ARG A 89 -13.241 1.986 -6.616 1.00 0.00 H new ATOM 0 HA ARG A 89 -14.717 -0.608 -6.795 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -15.108 0.017 -9.215 1.00 0.00 H new ATOM 0 HB3 ARG A 89 -15.708 1.299 -8.183 1.00 0.00 H new ATOM 0 HG2 ARG A 89 -13.790 2.716 -8.621 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -12.829 1.380 -9.223 1.00 0.00 H new ATOM 0 HD2 ARG A 89 -14.654 1.133 -11.107 1.00 0.00 H new ATOM 0 HD3 ARG A 89 -15.229 2.709 -10.600 1.00 0.00 H new ATOM 0 HE ARG A 89 -12.919 3.644 -11.045 1.00 0.00 H new ATOM 0 HH11 ARG A 89 -14.207 1.695 -13.289 1.00 0.00 H new ATOM 0 HH12 ARG A 89 -12.677 1.152 -13.984 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -10.881 2.479 -11.283 1.00 0.00 H new ATOM 0 HH22 ARG A 89 -10.735 1.609 -12.814 1.00 0.00 H new