USER MOD reduce.3.24.130724 H: found=0, std=0, add=601, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 591 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 39 CYS SG : rot 77:sc= 0.999 USER MOD Set 1.2: A 41 HIS : no HD1:sc= -4.63! C(o=-3.2!,f=-12!) USER MOD Set 1.3: A 114 CYS SG : rot 150:sc= 0.386 USER MOD Set 1.4: A 117 CYS SG : rot 124:sc= 0.0726 USER MOD Set 2.1: A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 102 TYR OH : rot 165:sc= -0.989 USER MOD Set 3.1: A 74 CYS SG : rot 90:sc= -1.87 USER MOD Set 3.2: A 79 CYS SG : rot -156:sc= -0.109 USER MOD Set 3.3: A 95 HIS : no HE2:sc= -1.17 K(o=-5.5,f=-6.5) USER MOD Set 3.4: A 99 THR OG1 : rot 157:sc= 0.111 USER MOD Set 3.5: A 101 HIS : no HE2:sc= -2.48 K(o=-5.5,f=-11) USER MOD Set 4.1: A 96 SER OG : rot -159:sc= -0.109 USER MOD Set 4.2: A 97 GLN : amide:sc= -7.06! C(o=-7.2!,f=-10!) USER MOD Set 5.1: A 93 THR OG1 : rot 84:sc= 1.97 USER MOD Set 5.2: A 115 TYR OH : rot -52:sc= 1.19 USER MOD Set 6.1: A 92 SER OG : rot -26:sc= 0.996 USER MOD Set 6.2: A 104 THR OG1 : rot 144:sc= 0.432 USER MOD Set 7.1: A 61 CYS SG : rot 144:sc= 0.135 USER MOD Set 7.2: A 64 CYS SG : rot -27:sc= 0.709 USER MOD Set 7.3: A 84 CYS SG : rot -117:sc= -1.64 USER MOD Set 7.4: A 88 GLN : amide:sc= -0.0468 K(o=-3.1,f=-2.2) USER MOD Set 7.5: A 91 HIS : no HE2:sc= -2.29 K(o=-3.1,f=-2.2) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 49 THR OG1 : rot 79:sc= -0.197 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 GLN : amide:sc= -0.184 X(o=-0.18,f=0) USER MOD Single : A 56 LYS NZ :NH3+ -107:sc= -0.859 (180deg=-4.16!) USER MOD Single : A 57 SER OG : rot -71:sc= 1.23 USER MOD Single : A 60 THR OG1 : rot 180:sc= -0.0564 USER MOD Single : A 62 GLN : amide:sc= -2.48! C(o=-2.5!,f=-8.3!) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 ASN : amide:sc= -0.723 K(o=-0.72,f=-1.3!) USER MOD Single : A 80 SER OG : rot -62:sc= 0.612 USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 106 ASN : amide:sc= -0.49 K(o=-0.49,f=-5.5!) USER MOD Single : A 108 THR OG1 : rot 180:sc= 0.018 USER MOD Single : A 109 THR OG1 : rot 180:sc= 0 USER MOD Single : A 118 SER OG : rot -47:sc= 0.624 USER MOD Single : A 119 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 59 N CYS A 39 16.215 0.521 3.651 1.00 0.00 N ATOM 60 CA CYS A 39 15.734 -0.559 2.800 1.00 0.00 C ATOM 61 C CYS A 39 15.653 -0.097 1.339 1.00 0.00 C ATOM 62 O CYS A 39 15.133 0.982 1.048 1.00 0.00 O ATOM 63 CB CYS A 39 14.369 -1.052 3.305 1.00 0.00 C ATOM 64 SG CYS A 39 13.232 -1.622 2.018 1.00 0.00 S ATOM 0 HA CYS A 39 16.438 -1.390 2.845 1.00 0.00 H new ATOM 0 HB2 CYS A 39 14.533 -1.867 4.010 1.00 0.00 H new ATOM 0 HB3 CYS A 39 13.891 -0.244 3.858 1.00 0.00 H new ATOM 0 HG CYS A 39 13.594 -2.803 1.611 1.00 0.00 H new ATOM 69 N PRO A 40 16.172 -0.910 0.400 1.00 0.00 N ATOM 70 CA PRO A 40 16.167 -0.577 -1.032 1.00 0.00 C ATOM 71 C PRO A 40 14.768 -0.573 -1.641 1.00 0.00 C ATOM 72 O PRO A 40 14.419 0.325 -2.408 1.00 0.00 O ATOM 73 CB PRO A 40 17.013 -1.688 -1.659 1.00 0.00 C ATOM 74 CG PRO A 40 16.908 -2.829 -0.709 1.00 0.00 C ATOM 75 CD PRO A 40 16.816 -2.213 0.659 1.00 0.00 C ATOM 0 HA PRO A 40 16.549 0.429 -1.207 1.00 0.00 H new ATOM 0 HB2 PRO A 40 16.640 -1.960 -2.646 1.00 0.00 H new ATOM 0 HB3 PRO A 40 18.049 -1.373 -1.786 1.00 0.00 H new ATOM 0 HG2 PRO A 40 16.030 -3.438 -0.924 1.00 0.00 H new ATOM 0 HG3 PRO A 40 17.776 -3.484 -0.786 1.00 0.00 H new ATOM 0 HD2 PRO A 40 16.224 -2.827 1.338 1.00 0.00 H new ATOM 0 HD3 PRO A 40 17.799 -2.093 1.113 1.00 0.00 H new ATOM 83 N HIS A 41 13.973 -1.586 -1.308 1.00 0.00 N ATOM 84 CA HIS A 41 12.615 -1.703 -1.833 1.00 0.00 C ATOM 85 C HIS A 41 11.859 -0.376 -1.731 1.00 0.00 C ATOM 86 O HIS A 41 11.355 0.139 -2.729 1.00 0.00 O ATOM 87 CB HIS A 41 11.862 -2.806 -1.087 1.00 0.00 C ATOM 88 CG HIS A 41 12.666 -4.057 -0.893 1.00 0.00 C ATOM 89 ND1 HIS A 41 13.192 -4.390 0.333 1.00 0.00 N ATOM 90 CD2 HIS A 41 13.009 -5.010 -1.794 1.00 0.00 C ATOM 91 CE1 HIS A 41 13.839 -5.528 0.153 1.00 0.00 C ATOM 92 NE2 HIS A 41 13.755 -5.943 -1.120 1.00 0.00 N ATOM 0 H HIS A 41 14.246 -2.339 -0.676 1.00 0.00 H new ATOM 0 HA HIS A 41 12.680 -1.964 -2.889 1.00 0.00 H new ATOM 0 HB2 HIS A 41 11.553 -2.428 -0.112 1.00 0.00 H new ATOM 0 HB3 HIS A 41 10.953 -3.050 -1.637 1.00 0.00 H new ATOM 0 HD2 HIS A 41 12.746 -5.031 -2.841 1.00 0.00 H new ATOM 0 HE1 HIS A 41 14.368 -6.057 0.932 1.00 0.00 H new ATOM 0 HE2 HIS A 41 14.167 -6.790 -1.512 1.00 0.00 H new ATOM 100 N LEU A 42 11.792 0.174 -0.524 1.00 0.00 N ATOM 101 CA LEU A 42 11.108 1.441 -0.292 1.00 0.00 C ATOM 102 C LEU A 42 11.960 2.616 -0.768 1.00 0.00 C ATOM 103 O LEU A 42 11.433 3.638 -1.207 1.00 0.00 O ATOM 104 CB LEU A 42 10.780 1.604 1.194 1.00 0.00 C ATOM 105 CG LEU A 42 11.993 1.642 2.124 1.00 0.00 C ATOM 106 CD1 LEU A 42 12.464 3.073 2.330 1.00 0.00 C ATOM 107 CD2 LEU A 42 11.660 0.991 3.458 1.00 0.00 C ATOM 0 H LEU A 42 12.205 -0.239 0.312 1.00 0.00 H new ATOM 0 HA LEU A 42 10.180 1.433 -0.863 1.00 0.00 H new ATOM 0 HB2 LEU A 42 10.211 2.524 1.326 1.00 0.00 H new ATOM 0 HB3 LEU A 42 10.132 0.782 1.500 1.00 0.00 H new ATOM 0 HG LEU A 42 12.802 1.079 1.658 1.00 0.00 H new ATOM 0 HD11 LEU A 42 13.328 3.080 2.995 1.00 0.00 H new ATOM 0 HD12 LEU A 42 12.742 3.506 1.369 1.00 0.00 H new ATOM 0 HD13 LEU A 42 11.660 3.660 2.774 1.00 0.00 H new ATOM 0 HD21 LEU A 42 12.534 1.026 4.108 1.00 0.00 H new ATOM 0 HD22 LEU A 42 10.836 1.527 3.929 1.00 0.00 H new ATOM 0 HD23 LEU A 42 11.371 -0.047 3.294 1.00 0.00 H new ATOM 119 N ASP A 43 13.277 2.465 -0.680 1.00 0.00 N ATOM 120 CA ASP A 43 14.192 3.519 -1.107 1.00 0.00 C ATOM 121 C ASP A 43 14.020 3.822 -2.594 1.00 0.00 C ATOM 122 O ASP A 43 14.379 4.903 -3.060 1.00 0.00 O ATOM 123 CB ASP A 43 15.639 3.115 -0.818 1.00 0.00 C ATOM 124 CG ASP A 43 16.633 4.185 -1.232 1.00 0.00 C ATOM 125 OD1 ASP A 43 17.647 3.837 -1.872 1.00 0.00 O ATOM 126 OD2 ASP A 43 16.396 5.370 -0.915 1.00 0.00 O ATOM 0 H ASP A 43 13.734 1.628 -0.319 1.00 0.00 H new ATOM 0 HA ASP A 43 13.956 4.421 -0.543 1.00 0.00 H new ATOM 0 HB2 ASP A 43 15.751 2.912 0.247 1.00 0.00 H new ATOM 0 HB3 ASP A 43 15.867 2.188 -1.345 1.00 0.00 H new ATOM 131 N SER A 44 13.475 2.862 -3.337 1.00 0.00 N ATOM 132 CA SER A 44 13.266 3.033 -4.771 1.00 0.00 C ATOM 133 C SER A 44 11.936 3.724 -5.056 1.00 0.00 C ATOM 134 O SER A 44 11.858 4.614 -5.904 1.00 0.00 O ATOM 135 CB SER A 44 13.308 1.676 -5.478 1.00 0.00 C ATOM 136 OG SER A 44 14.617 1.381 -5.935 1.00 0.00 O ATOM 0 H SER A 44 13.171 1.960 -2.970 1.00 0.00 H new ATOM 0 HA SER A 44 14.069 3.664 -5.153 1.00 0.00 H new ATOM 0 HB2 SER A 44 12.973 0.896 -4.795 1.00 0.00 H new ATOM 0 HB3 SER A 44 12.617 1.680 -6.321 1.00 0.00 H new ATOM 0 HG SER A 44 14.619 0.509 -6.382 1.00 0.00 H new ATOM 142 N VAL A 45 10.889 3.311 -4.347 1.00 0.00 N ATOM 143 CA VAL A 45 9.566 3.896 -4.532 1.00 0.00 C ATOM 144 C VAL A 45 9.485 5.284 -3.906 1.00 0.00 C ATOM 145 O VAL A 45 9.808 5.467 -2.732 1.00 0.00 O ATOM 146 CB VAL A 45 8.461 3.005 -3.929 1.00 0.00 C ATOM 147 CG1 VAL A 45 8.418 1.656 -4.629 1.00 0.00 C ATOM 148 CG2 VAL A 45 8.666 2.826 -2.435 1.00 0.00 C ATOM 0 H VAL A 45 10.931 2.576 -3.641 1.00 0.00 H new ATOM 0 HA VAL A 45 9.407 3.975 -5.607 1.00 0.00 H new ATOM 0 HB VAL A 45 7.503 3.502 -4.083 1.00 0.00 H new ATOM 0 HG11 VAL A 45 7.632 1.043 -4.189 1.00 0.00 H new ATOM 0 HG12 VAL A 45 8.213 1.803 -5.689 1.00 0.00 H new ATOM 0 HG13 VAL A 45 9.378 1.154 -4.511 1.00 0.00 H new ATOM 0 HG21 VAL A 45 7.874 2.194 -2.032 1.00 0.00 H new ATOM 0 HG22 VAL A 45 9.633 2.356 -2.254 1.00 0.00 H new ATOM 0 HG23 VAL A 45 8.638 3.799 -1.945 1.00 0.00 H new ATOM 158 N GLY A 46 9.054 6.260 -4.699 1.00 0.00 N ATOM 159 CA GLY A 46 8.940 7.620 -4.206 1.00 0.00 C ATOM 160 C GLY A 46 7.891 7.760 -3.120 1.00 0.00 C ATOM 161 O GLY A 46 7.639 6.820 -2.367 1.00 0.00 O ATOM 0 H GLY A 46 8.782 6.133 -5.674 1.00 0.00 H new ATOM 0 HA2 GLY A 46 9.906 7.944 -3.817 1.00 0.00 H new ATOM 0 HA3 GLY A 46 8.691 8.283 -5.034 1.00 0.00 H new ATOM 165 N GLU A 47 7.279 8.937 -3.041 1.00 0.00 N ATOM 166 CA GLU A 47 6.251 9.199 -2.039 1.00 0.00 C ATOM 167 C GLU A 47 4.896 9.434 -2.698 1.00 0.00 C ATOM 168 O GLU A 47 4.816 9.693 -3.899 1.00 0.00 O ATOM 169 CB GLU A 47 6.635 10.414 -1.192 1.00 0.00 C ATOM 170 CG GLU A 47 6.090 10.364 0.226 1.00 0.00 C ATOM 171 CD GLU A 47 6.657 11.460 1.108 1.00 0.00 C ATOM 172 OE1 GLU A 47 5.941 11.913 2.025 1.00 0.00 O ATOM 173 OE2 GLU A 47 7.817 11.863 0.882 1.00 0.00 O ATOM 0 H GLU A 47 7.477 9.725 -3.658 1.00 0.00 H new ATOM 0 HA GLU A 47 6.175 8.323 -1.395 1.00 0.00 H new ATOM 0 HB2 GLU A 47 7.722 10.490 -1.152 1.00 0.00 H new ATOM 0 HB3 GLU A 47 6.270 11.317 -1.681 1.00 0.00 H new ATOM 0 HG2 GLU A 47 5.004 10.451 0.197 1.00 0.00 H new ATOM 0 HG3 GLU A 47 6.320 9.393 0.666 1.00 0.00 H new ATOM 180 N ILE A 48 3.834 9.342 -1.905 1.00 0.00 N ATOM 181 CA ILE A 48 2.482 9.544 -2.411 1.00 0.00 C ATOM 182 C ILE A 48 1.942 10.911 -2.000 1.00 0.00 C ATOM 183 O ILE A 48 2.195 11.380 -0.890 1.00 0.00 O ATOM 184 CB ILE A 48 1.522 8.445 -1.910 1.00 0.00 C ATOM 185 CG1 ILE A 48 0.149 8.591 -2.569 1.00 0.00 C ATOM 186 CG2 ILE A 48 1.399 8.496 -0.394 1.00 0.00 C ATOM 187 CD1 ILE A 48 -0.431 7.279 -3.049 1.00 0.00 C ATOM 0 H ILE A 48 3.884 9.129 -0.909 1.00 0.00 H new ATOM 0 HA ILE A 48 2.538 9.492 -3.498 1.00 0.00 H new ATOM 0 HB ILE A 48 1.933 7.474 -2.188 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -0.540 9.046 -1.858 1.00 0.00 H new ATOM 0 HG13 ILE A 48 0.231 9.274 -3.414 1.00 0.00 H new ATOM 0 HG21 ILE A 48 0.718 7.714 -0.058 1.00 0.00 H new ATOM 0 HG22 ILE A 48 2.380 8.341 0.056 1.00 0.00 H new ATOM 0 HG23 ILE A 48 1.011 9.469 -0.093 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -1.405 7.457 -3.505 1.00 0.00 H new ATOM 0 HD12 ILE A 48 0.238 6.833 -3.784 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -0.545 6.601 -2.203 1.00 0.00 H new ATOM 199 N THR A 49 1.201 11.545 -2.902 1.00 0.00 N ATOM 200 CA THR A 49 0.629 12.861 -2.633 1.00 0.00 C ATOM 201 C THR A 49 -0.644 12.745 -1.800 1.00 0.00 C ATOM 202 O THR A 49 -1.271 11.686 -1.746 1.00 0.00 O ATOM 203 CB THR A 49 0.328 13.585 -3.945 1.00 0.00 C ATOM 204 OG1 THR A 49 -0.237 12.696 -4.890 1.00 0.00 O ATOM 205 CG2 THR A 49 1.553 14.210 -4.578 1.00 0.00 C ATOM 0 H THR A 49 0.982 11.170 -3.825 1.00 0.00 H new ATOM 0 HA THR A 49 1.360 13.437 -2.065 1.00 0.00 H new ATOM 0 HB THR A 49 -0.371 14.379 -3.683 1.00 0.00 H new ATOM 0 HG1 THR A 49 -1.188 12.567 -4.690 1.00 0.00 H new ATOM 0 HG21 THR A 49 1.270 14.708 -5.505 1.00 0.00 H new ATOM 0 HG22 THR A 49 1.985 14.939 -3.892 1.00 0.00 H new ATOM 0 HG23 THR A 49 2.288 13.434 -4.792 1.00 0.00 H new ATOM 213 N LYS A 50 -1.020 13.843 -1.153 1.00 0.00 N ATOM 214 CA LYS A 50 -2.218 13.868 -0.323 1.00 0.00 C ATOM 215 C LYS A 50 -3.459 13.557 -1.151 1.00 0.00 C ATOM 216 O LYS A 50 -4.326 12.794 -0.725 1.00 0.00 O ATOM 217 CB LYS A 50 -2.369 15.234 0.350 1.00 0.00 C ATOM 218 CG LYS A 50 -1.323 15.503 1.421 1.00 0.00 C ATOM 219 CD LYS A 50 -1.964 15.821 2.763 1.00 0.00 C ATOM 220 CE LYS A 50 -2.139 17.318 2.958 1.00 0.00 C ATOM 221 NZ LYS A 50 -3.369 17.824 2.291 1.00 0.00 N ATOM 0 H LYS A 50 -0.512 14.727 -1.188 1.00 0.00 H new ATOM 0 HA LYS A 50 -2.114 13.102 0.445 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -2.308 16.013 -0.410 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -3.361 15.302 0.797 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -0.675 14.633 1.524 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -0.691 16.336 1.112 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -2.934 15.329 2.829 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -1.347 15.418 3.566 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -2.185 17.542 4.024 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -1.269 17.840 2.560 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -3.452 18.849 2.447 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -3.314 17.633 1.270 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -4.202 17.344 2.689 1.00 0.00 H new ATOM 235 N GLU A 51 -3.538 14.149 -2.339 1.00 0.00 N ATOM 236 CA GLU A 51 -4.674 13.933 -3.227 1.00 0.00 C ATOM 237 C GLU A 51 -4.820 12.454 -3.568 1.00 0.00 C ATOM 238 O GLU A 51 -5.931 11.949 -3.728 1.00 0.00 O ATOM 239 CB GLU A 51 -4.509 14.750 -4.509 1.00 0.00 C ATOM 240 CG GLU A 51 -4.988 16.187 -4.380 1.00 0.00 C ATOM 241 CD GLU A 51 -4.133 17.160 -5.168 1.00 0.00 C ATOM 242 OE1 GLU A 51 -2.983 17.411 -4.751 1.00 0.00 O ATOM 243 OE2 GLU A 51 -4.614 17.672 -6.201 1.00 0.00 O ATOM 0 H GLU A 51 -2.829 14.782 -2.708 1.00 0.00 H new ATOM 0 HA GLU A 51 -5.576 14.261 -2.711 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -3.458 14.751 -4.797 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -5.060 14.263 -5.314 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -6.020 16.254 -4.725 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -4.984 16.474 -3.329 1.00 0.00 H new ATOM 250 N ASP A 52 -3.689 11.761 -3.671 1.00 0.00 N ATOM 251 CA ASP A 52 -3.693 10.338 -3.986 1.00 0.00 C ATOM 252 C ASP A 52 -4.185 9.525 -2.793 1.00 0.00 C ATOM 253 O ASP A 52 -4.966 8.586 -2.948 1.00 0.00 O ATOM 254 CB ASP A 52 -2.291 9.880 -4.389 1.00 0.00 C ATOM 255 CG ASP A 52 -2.031 10.049 -5.873 1.00 0.00 C ATOM 256 OD1 ASP A 52 -2.036 9.030 -6.597 1.00 0.00 O ATOM 257 OD2 ASP A 52 -1.824 11.200 -6.312 1.00 0.00 O ATOM 0 H ASP A 52 -2.760 12.162 -3.541 1.00 0.00 H new ATOM 0 HA ASP A 52 -4.373 10.174 -4.822 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -1.550 10.448 -3.826 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -2.162 8.832 -4.118 1.00 0.00 H new ATOM 262 N LEU A 53 -3.721 9.892 -1.602 1.00 0.00 N ATOM 263 CA LEU A 53 -4.114 9.196 -0.382 1.00 0.00 C ATOM 264 C LEU A 53 -5.564 9.504 -0.021 1.00 0.00 C ATOM 265 O LEU A 53 -6.262 8.665 0.548 1.00 0.00 O ATOM 266 CB LEU A 53 -3.192 9.586 0.776 1.00 0.00 C ATOM 267 CG LEU A 53 -1.755 9.068 0.671 1.00 0.00 C ATOM 268 CD1 LEU A 53 -1.006 9.301 1.975 1.00 0.00 C ATOM 269 CD2 LEU A 53 -1.742 7.590 0.305 1.00 0.00 C ATOM 0 H LEU A 53 -3.073 10.666 -1.456 1.00 0.00 H new ATOM 0 HA LEU A 53 -4.024 8.125 -0.562 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -3.165 10.673 0.847 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -3.627 9.217 1.705 1.00 0.00 H new ATOM 0 HG LEU A 53 -1.249 9.621 -0.120 1.00 0.00 H new ATOM 0 HD11 LEU A 53 0.013 8.926 1.881 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -0.981 10.368 2.195 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -1.513 8.775 2.784 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -0.712 7.241 0.235 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -2.267 7.021 1.072 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -2.239 7.449 -0.655 1.00 0.00 H new ATOM 281 N ILE A 54 -6.013 10.711 -0.355 1.00 0.00 N ATOM 282 CA ILE A 54 -7.381 11.126 -0.065 1.00 0.00 C ATOM 283 C ILE A 54 -8.388 10.140 -0.658 1.00 0.00 C ATOM 284 O ILE A 54 -9.328 9.719 0.018 1.00 0.00 O ATOM 285 CB ILE A 54 -7.663 12.548 -0.602 1.00 0.00 C ATOM 286 CG1 ILE A 54 -6.930 13.588 0.248 1.00 0.00 C ATOM 287 CG2 ILE A 54 -9.158 12.841 -0.619 1.00 0.00 C ATOM 288 CD1 ILE A 54 -6.566 14.845 -0.511 1.00 0.00 C ATOM 0 H ILE A 54 -5.449 11.418 -0.827 1.00 0.00 H new ATOM 0 HA ILE A 54 -7.493 11.137 1.019 1.00 0.00 H new ATOM 0 HB ILE A 54 -7.295 12.603 -1.627 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -7.557 13.856 1.099 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -6.021 13.141 0.650 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -9.327 13.848 -1.001 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -9.663 12.119 -1.261 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -9.555 12.766 0.393 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -6.049 15.536 0.155 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -5.913 14.590 -1.346 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -7.473 15.316 -0.890 1.00 0.00 H new ATOM 300 N GLN A 55 -8.185 9.772 -1.919 1.00 0.00 N ATOM 301 CA GLN A 55 -9.078 8.832 -2.588 1.00 0.00 C ATOM 302 C GLN A 55 -9.010 7.468 -1.918 1.00 0.00 C ATOM 303 O GLN A 55 -10.028 6.803 -1.732 1.00 0.00 O ATOM 304 CB GLN A 55 -8.718 8.714 -4.072 1.00 0.00 C ATOM 305 CG GLN A 55 -9.647 9.496 -4.986 1.00 0.00 C ATOM 306 CD GLN A 55 -9.190 10.926 -5.195 1.00 0.00 C ATOM 307 OE1 GLN A 55 -8.831 11.319 -6.305 1.00 0.00 O ATOM 308 NE2 GLN A 55 -9.201 11.714 -4.126 1.00 0.00 N ATOM 0 H GLN A 55 -7.414 10.108 -2.496 1.00 0.00 H new ATOM 0 HA GLN A 55 -10.098 9.209 -2.508 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -7.697 9.065 -4.219 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -8.738 7.663 -4.360 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -9.709 8.993 -5.951 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -10.651 9.498 -4.562 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -9.506 11.347 -3.225 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -8.904 12.687 -4.206 1.00 0.00 H new ATOM 317 N LYS A 56 -7.806 7.064 -1.540 1.00 0.00 N ATOM 318 CA LYS A 56 -7.608 5.790 -0.868 1.00 0.00 C ATOM 319 C LYS A 56 -8.214 5.840 0.530 1.00 0.00 C ATOM 320 O LYS A 56 -8.698 4.836 1.051 1.00 0.00 O ATOM 321 CB LYS A 56 -6.118 5.456 -0.785 1.00 0.00 C ATOM 322 CG LYS A 56 -5.502 5.080 -2.124 1.00 0.00 C ATOM 323 CD LYS A 56 -4.131 5.713 -2.306 1.00 0.00 C ATOM 324 CE LYS A 56 -3.694 5.684 -3.762 1.00 0.00 C ATOM 325 NZ LYS A 56 -3.385 4.302 -4.225 1.00 0.00 N ATOM 0 H LYS A 56 -6.951 7.601 -1.688 1.00 0.00 H new ATOM 0 HA LYS A 56 -8.106 5.010 -1.443 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -5.584 6.314 -0.377 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -5.977 4.632 -0.086 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -5.415 3.996 -2.194 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -6.161 5.400 -2.931 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -4.155 6.744 -1.952 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -3.400 5.183 -1.695 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -4.482 6.107 -4.385 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -2.814 6.314 -3.889 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -2.356 4.192 -4.327 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -3.739 3.615 -3.529 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -3.844 4.133 -5.143 1.00 0.00 H new ATOM 339 N SER A 57 -8.179 7.028 1.129 1.00 0.00 N ATOM 340 CA SER A 57 -8.718 7.239 2.466 1.00 0.00 C ATOM 341 C SER A 57 -10.245 7.172 2.476 1.00 0.00 C ATOM 342 O SER A 57 -10.859 7.103 3.541 1.00 0.00 O ATOM 343 CB SER A 57 -8.250 8.588 3.017 1.00 0.00 C ATOM 344 OG SER A 57 -9.137 9.630 2.647 1.00 0.00 O ATOM 0 H SER A 57 -7.779 7.864 0.703 1.00 0.00 H new ATOM 0 HA SER A 57 -8.344 6.438 3.103 1.00 0.00 H new ATOM 0 HB2 SER A 57 -8.180 8.535 4.103 1.00 0.00 H new ATOM 0 HB3 SER A 57 -7.250 8.809 2.644 1.00 0.00 H new ATOM 0 HG SER A 57 -9.053 9.805 1.686 1.00 0.00 H new ATOM 350 N LEU A 58 -10.863 7.200 1.294 1.00 0.00 N ATOM 351 CA LEU A 58 -12.320 7.148 1.208 1.00 0.00 C ATOM 352 C LEU A 58 -12.855 5.841 1.791 1.00 0.00 C ATOM 353 O LEU A 58 -14.031 5.747 2.144 1.00 0.00 O ATOM 354 CB LEU A 58 -12.778 7.296 -0.244 1.00 0.00 C ATOM 355 CG LEU A 58 -13.008 8.736 -0.706 1.00 0.00 C ATOM 356 CD1 LEU A 58 -12.724 8.872 -2.194 1.00 0.00 C ATOM 357 CD2 LEU A 58 -14.431 9.174 -0.391 1.00 0.00 C ATOM 0 H LEU A 58 -10.384 7.258 0.395 1.00 0.00 H new ATOM 0 HA LEU A 58 -12.719 7.977 1.792 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -12.032 6.837 -0.893 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -13.704 6.736 -0.376 1.00 0.00 H new ATOM 0 HG LEU A 58 -12.319 9.386 -0.166 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -12.893 9.903 -2.504 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -11.688 8.599 -2.393 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -13.387 8.212 -2.753 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -14.578 10.201 -0.726 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -15.135 8.520 -0.905 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -14.600 9.115 0.684 1.00 0.00 H new ATOM 369 N GLY A 59 -11.986 4.840 1.904 1.00 0.00 N ATOM 370 CA GLY A 59 -12.394 3.564 2.461 1.00 0.00 C ATOM 371 C GLY A 59 -12.969 2.617 1.426 1.00 0.00 C ATOM 372 O GLY A 59 -14.008 1.999 1.654 1.00 0.00 O ATOM 0 H GLY A 59 -11.008 4.891 1.620 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -11.535 3.092 2.939 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -13.137 3.736 3.240 1.00 0.00 H new ATOM 376 N THR A 60 -12.294 2.493 0.291 1.00 0.00 N ATOM 377 CA THR A 60 -12.751 1.600 -0.767 1.00 0.00 C ATOM 378 C THR A 60 -11.572 0.952 -1.483 1.00 0.00 C ATOM 379 O THR A 60 -10.569 1.607 -1.767 1.00 0.00 O ATOM 380 CB THR A 60 -13.614 2.365 -1.769 1.00 0.00 C ATOM 381 OG1 THR A 60 -14.397 3.346 -1.112 1.00 0.00 O ATOM 382 CG2 THR A 60 -14.553 1.474 -2.552 1.00 0.00 C ATOM 0 H THR A 60 -11.432 2.996 0.079 1.00 0.00 H new ATOM 0 HA THR A 60 -13.349 0.812 -0.309 1.00 0.00 H new ATOM 0 HB THR A 60 -12.911 2.824 -2.464 1.00 0.00 H new ATOM 0 HG1 THR A 60 -14.941 3.826 -1.771 1.00 0.00 H new ATOM 0 HG21 THR A 60 -15.136 2.080 -3.245 1.00 0.00 H new ATOM 0 HG22 THR A 60 -13.975 0.738 -3.111 1.00 0.00 H new ATOM 0 HG23 THR A 60 -15.225 0.961 -1.865 1.00 0.00 H new ATOM 390 N CYS A 61 -11.701 -0.338 -1.778 1.00 0.00 N ATOM 391 CA CYS A 61 -10.648 -1.073 -2.468 1.00 0.00 C ATOM 392 C CYS A 61 -10.800 -0.939 -3.981 1.00 0.00 C ATOM 393 O CYS A 61 -11.913 -0.957 -4.505 1.00 0.00 O ATOM 394 CB CYS A 61 -10.674 -2.546 -2.059 1.00 0.00 C ATOM 395 SG CYS A 61 -9.310 -3.524 -2.731 1.00 0.00 S ATOM 0 H CYS A 61 -12.524 -0.895 -1.550 1.00 0.00 H new ATOM 0 HA CYS A 61 -9.686 -0.647 -2.181 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -10.651 -2.610 -0.971 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -11.617 -2.986 -2.385 1.00 0.00 H new ATOM 0 HG CYS A 61 -8.944 -4.415 -1.858 1.00 0.00 H new ATOM 400 N GLN A 62 -9.677 -0.798 -4.676 1.00 0.00 N ATOM 401 CA GLN A 62 -9.689 -0.653 -6.129 1.00 0.00 C ATOM 402 C GLN A 62 -9.925 -1.995 -6.819 1.00 0.00 C ATOM 403 O GLN A 62 -10.512 -2.051 -7.899 1.00 0.00 O ATOM 404 CB GLN A 62 -8.372 -0.042 -6.612 1.00 0.00 C ATOM 405 CG GLN A 62 -8.550 1.009 -7.696 1.00 0.00 C ATOM 406 CD GLN A 62 -7.697 2.241 -7.461 1.00 0.00 C ATOM 407 OE1 GLN A 62 -6.496 2.138 -7.206 1.00 0.00 O ATOM 408 NE2 GLN A 62 -8.314 3.413 -7.545 1.00 0.00 N ATOM 0 H GLN A 62 -8.747 -0.781 -4.258 1.00 0.00 H new ATOM 0 HA GLN A 62 -10.511 0.013 -6.391 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -7.857 0.407 -5.763 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -7.730 -0.837 -6.990 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -8.296 0.575 -8.663 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -9.599 1.302 -7.744 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -9.311 3.450 -7.759 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -7.792 4.276 -7.396 1.00 0.00 H new ATOM 417 N ASP A 63 -9.458 -3.071 -6.194 1.00 0.00 N ATOM 418 CA ASP A 63 -9.616 -4.408 -6.756 1.00 0.00 C ATOM 419 C ASP A 63 -11.025 -4.946 -6.518 1.00 0.00 C ATOM 420 O ASP A 63 -11.704 -5.367 -7.453 1.00 0.00 O ATOM 421 CB ASP A 63 -8.585 -5.361 -6.150 1.00 0.00 C ATOM 422 CG ASP A 63 -8.041 -6.347 -7.165 1.00 0.00 C ATOM 423 OD1 ASP A 63 -6.812 -6.359 -7.381 1.00 0.00 O ATOM 424 OD2 ASP A 63 -8.846 -7.108 -7.744 1.00 0.00 O ATOM 0 H ASP A 63 -8.968 -3.044 -5.300 1.00 0.00 H new ATOM 0 HA ASP A 63 -9.455 -4.340 -7.832 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -7.761 -4.782 -5.732 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -9.041 -5.908 -5.325 1.00 0.00 H new ATOM 429 N CYS A 64 -11.456 -4.930 -5.261 1.00 0.00 N ATOM 430 CA CYS A 64 -12.782 -5.418 -4.901 1.00 0.00 C ATOM 431 C CYS A 64 -13.650 -4.291 -4.351 1.00 0.00 C ATOM 432 O CYS A 64 -13.209 -3.145 -4.256 1.00 0.00 O ATOM 433 CB CYS A 64 -12.674 -6.543 -3.869 1.00 0.00 C ATOM 434 SG CYS A 64 -11.760 -6.090 -2.374 1.00 0.00 S ATOM 0 H CYS A 64 -10.906 -4.584 -4.475 1.00 0.00 H new ATOM 0 HA CYS A 64 -13.253 -5.806 -5.804 1.00 0.00 H new ATOM 0 HB2 CYS A 64 -13.678 -6.859 -3.586 1.00 0.00 H new ATOM 0 HB3 CYS A 64 -12.188 -7.401 -4.333 1.00 0.00 H new ATOM 0 HG CYS A 64 -10.907 -5.150 -2.655 1.00 0.00 H new ATOM 439 N LYS A 65 -14.884 -4.626 -3.989 1.00 0.00 N ATOM 440 CA LYS A 65 -15.815 -3.645 -3.445 1.00 0.00 C ATOM 441 C LYS A 65 -15.943 -3.802 -1.934 1.00 0.00 C ATOM 442 O LYS A 65 -16.912 -4.375 -1.437 1.00 0.00 O ATOM 443 CB LYS A 65 -17.188 -3.792 -4.109 1.00 0.00 C ATOM 444 CG LYS A 65 -17.810 -2.468 -4.522 1.00 0.00 C ATOM 445 CD LYS A 65 -19.329 -2.548 -4.550 1.00 0.00 C ATOM 446 CE LYS A 65 -19.956 -1.637 -3.507 1.00 0.00 C ATOM 447 NZ LYS A 65 -20.097 -0.240 -4.003 1.00 0.00 N ATOM 0 H LYS A 65 -15.262 -5.570 -4.063 1.00 0.00 H new ATOM 0 HA LYS A 65 -15.425 -2.649 -3.656 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -17.090 -4.428 -4.989 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -17.862 -4.301 -3.421 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -17.499 -1.687 -3.828 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -17.442 -2.184 -5.508 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -19.690 -2.271 -5.540 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -19.643 -3.576 -4.372 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -20.936 -2.024 -3.229 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -19.344 -1.642 -2.605 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -20.528 0.349 -3.263 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -19.159 0.139 -4.245 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -20.702 -0.231 -4.849 1.00 0.00 H new ATOM 529 N LEU A 71 -7.411 -0.086 5.117 1.00 0.00 N ATOM 530 CA LEU A 71 -7.136 -0.167 3.687 1.00 0.00 C ATOM 531 C LEU A 71 -5.671 0.144 3.392 1.00 0.00 C ATOM 532 O LEU A 71 -5.061 0.994 4.041 1.00 0.00 O ATOM 533 CB LEU A 71 -8.043 0.796 2.918 1.00 0.00 C ATOM 534 CG LEU A 71 -9.231 0.140 2.212 1.00 0.00 C ATOM 535 CD1 LEU A 71 -10.130 1.196 1.589 1.00 0.00 C ATOM 536 CD2 LEU A 71 -8.745 -0.841 1.155 1.00 0.00 C ATOM 0 HA LEU A 71 -7.341 -1.187 3.360 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -8.421 1.547 3.611 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -7.443 1.321 2.175 1.00 0.00 H new ATOM 0 HG LEU A 71 -9.812 -0.411 2.952 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -10.970 0.711 1.091 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -10.504 1.861 2.368 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -9.561 1.774 0.861 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -9.602 -1.299 0.662 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -8.142 -0.312 0.417 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -8.142 -1.616 1.628 1.00 0.00 H new ATOM 548 N TRP A 72 -5.116 -0.550 2.403 1.00 0.00 N ATOM 549 CA TRP A 72 -3.725 -0.351 2.015 1.00 0.00 C ATOM 550 C TRP A 72 -3.628 0.230 0.609 1.00 0.00 C ATOM 551 O TRP A 72 -4.561 0.121 -0.186 1.00 0.00 O ATOM 552 CB TRP A 72 -2.960 -1.675 2.084 1.00 0.00 C ATOM 553 CG TRP A 72 -2.946 -2.284 3.452 1.00 0.00 C ATOM 554 CD1 TRP A 72 -4.027 -2.690 4.181 1.00 0.00 C ATOM 555 CD2 TRP A 72 -1.793 -2.557 4.258 1.00 0.00 C ATOM 556 NE1 TRP A 72 -3.617 -3.198 5.390 1.00 0.00 N ATOM 557 CE2 TRP A 72 -2.250 -3.127 5.461 1.00 0.00 C ATOM 558 CE3 TRP A 72 -0.420 -2.375 4.079 1.00 0.00 C ATOM 559 CZ2 TRP A 72 -1.382 -3.517 6.478 1.00 0.00 C ATOM 560 CZ3 TRP A 72 0.441 -2.761 5.088 1.00 0.00 C ATOM 561 CH2 TRP A 72 -0.042 -3.327 6.274 1.00 0.00 C ATOM 0 H TRP A 72 -5.609 -1.255 1.856 1.00 0.00 H new ATOM 0 HA TRP A 72 -3.279 0.357 2.713 1.00 0.00 H new ATOM 0 HB2 TRP A 72 -3.407 -2.381 1.385 1.00 0.00 H new ATOM 0 HB3 TRP A 72 -1.933 -1.510 1.757 1.00 0.00 H new ATOM 0 HD1 TRP A 72 -5.054 -2.622 3.855 1.00 0.00 H new ATOM 0 HE1 TRP A 72 -4.230 -3.568 6.116 1.00 0.00 H new ATOM 0 HE3 TRP A 72 -0.038 -1.940 3.167 1.00 0.00 H new ATOM 0 HZ2 TRP A 72 -1.753 -3.953 7.394 1.00 0.00 H new ATOM 0 HZ3 TRP A 72 1.505 -2.624 4.960 1.00 0.00 H new ATOM 0 HH2 TRP A 72 0.657 -3.620 7.044 1.00 0.00 H new ATOM 572 N ALA A 73 -2.492 0.848 0.307 1.00 0.00 N ATOM 573 CA ALA A 73 -2.271 1.444 -1.004 1.00 0.00 C ATOM 574 C ALA A 73 -0.829 1.250 -1.455 1.00 0.00 C ATOM 575 O ALA A 73 0.101 1.349 -0.653 1.00 0.00 O ATOM 576 CB ALA A 73 -2.623 2.924 -0.976 1.00 0.00 C ATOM 0 H ALA A 73 -1.709 0.949 0.953 1.00 0.00 H new ATOM 0 HA ALA A 73 -2.920 0.941 -1.721 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -2.453 3.357 -1.962 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -3.671 3.044 -0.703 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -1.997 3.433 -0.243 1.00 0.00 H new ATOM 582 N CYS A 74 -0.646 0.973 -2.742 1.00 0.00 N ATOM 583 CA CYS A 74 0.688 0.764 -3.294 1.00 0.00 C ATOM 584 C CYS A 74 1.581 1.972 -3.024 1.00 0.00 C ATOM 585 O CYS A 74 1.190 3.114 -3.266 1.00 0.00 O ATOM 586 CB CYS A 74 0.609 0.495 -4.797 1.00 0.00 C ATOM 587 SG CYS A 74 2.161 -0.093 -5.516 1.00 0.00 S ATOM 0 H CYS A 74 -1.403 0.888 -3.421 1.00 0.00 H new ATOM 0 HA CYS A 74 1.125 -0.106 -2.804 1.00 0.00 H new ATOM 0 HB2 CYS A 74 -0.170 -0.244 -4.984 1.00 0.00 H new ATOM 0 HB3 CYS A 74 0.308 1.411 -5.305 1.00 0.00 H new ATOM 0 HG CYS A 74 2.200 -1.391 -5.462 1.00 0.00 H new ATOM 592 N LEU A 75 2.780 1.710 -2.516 1.00 0.00 N ATOM 593 CA LEU A 75 3.729 2.772 -2.204 1.00 0.00 C ATOM 594 C LEU A 75 4.489 3.226 -3.448 1.00 0.00 C ATOM 595 O LEU A 75 5.023 4.334 -3.487 1.00 0.00 O ATOM 596 CB LEU A 75 4.714 2.299 -1.135 1.00 0.00 C ATOM 597 CG LEU A 75 5.626 3.387 -0.566 1.00 0.00 C ATOM 598 CD1 LEU A 75 4.820 4.379 0.259 1.00 0.00 C ATOM 599 CD2 LEU A 75 6.733 2.767 0.274 1.00 0.00 C ATOM 0 H LEU A 75 3.118 0.770 -2.311 1.00 0.00 H new ATOM 0 HA LEU A 75 3.164 3.624 -1.825 1.00 0.00 H new ATOM 0 HB2 LEU A 75 4.150 1.854 -0.315 1.00 0.00 H new ATOM 0 HB3 LEU A 75 5.336 1.511 -1.559 1.00 0.00 H new ATOM 0 HG LEU A 75 6.084 3.924 -1.397 1.00 0.00 H new ATOM 0 HD11 LEU A 75 5.484 5.146 0.656 1.00 0.00 H new ATOM 0 HD12 LEU A 75 4.063 4.846 -0.371 1.00 0.00 H new ATOM 0 HD13 LEU A 75 4.335 3.857 1.084 1.00 0.00 H new ATOM 0 HD21 LEU A 75 7.373 3.555 0.671 1.00 0.00 H new ATOM 0 HD22 LEU A 75 6.293 2.206 1.099 1.00 0.00 H new ATOM 0 HD23 LEU A 75 7.327 2.095 -0.346 1.00 0.00 H new ATOM 611 N GLU A 76 4.538 2.366 -4.463 1.00 0.00 N ATOM 612 CA GLU A 76 5.238 2.688 -5.703 1.00 0.00 C ATOM 613 C GLU A 76 4.748 4.015 -6.278 1.00 0.00 C ATOM 614 O GLU A 76 3.592 4.139 -6.679 1.00 0.00 O ATOM 615 CB GLU A 76 5.044 1.567 -6.727 1.00 0.00 C ATOM 616 CG GLU A 76 6.341 1.092 -7.364 1.00 0.00 C ATOM 617 CD GLU A 76 6.492 1.558 -8.798 1.00 0.00 C ATOM 618 OE1 GLU A 76 6.101 0.804 -9.712 1.00 0.00 O ATOM 619 OE2 GLU A 76 7.002 2.680 -9.007 1.00 0.00 O ATOM 0 H GLU A 76 4.103 1.444 -4.451 1.00 0.00 H new ATOM 0 HA GLU A 76 6.300 2.784 -5.478 1.00 0.00 H new ATOM 0 HB2 GLU A 76 4.557 0.722 -6.240 1.00 0.00 H new ATOM 0 HB3 GLU A 76 4.370 1.915 -7.510 1.00 0.00 H new ATOM 0 HG2 GLU A 76 7.184 1.456 -6.777 1.00 0.00 H new ATOM 0 HG3 GLU A 76 6.378 0.003 -7.334 1.00 0.00 H new ATOM 626 N ASN A 77 5.637 5.005 -6.310 1.00 0.00 N ATOM 627 CA ASN A 77 5.296 6.325 -6.832 1.00 0.00 C ATOM 628 C ASN A 77 4.733 6.230 -8.246 1.00 0.00 C ATOM 629 O ASN A 77 3.841 6.989 -8.624 1.00 0.00 O ATOM 630 CB ASN A 77 6.527 7.233 -6.821 1.00 0.00 C ATOM 631 CG ASN A 77 6.211 8.644 -7.243 1.00 0.00 C ATOM 632 OD1 ASN A 77 5.066 8.977 -7.546 1.00 0.00 O ATOM 633 ND2 ASN A 77 7.233 9.482 -7.264 1.00 0.00 N ATOM 0 H ASN A 77 6.598 4.918 -5.981 1.00 0.00 H new ATOM 0 HA ASN A 77 4.529 6.753 -6.187 1.00 0.00 H new ATOM 0 HB2 ASN A 77 6.956 7.245 -5.819 1.00 0.00 H new ATOM 0 HB3 ASN A 77 7.284 6.820 -7.487 1.00 0.00 H new ATOM 0 HD21 ASN A 77 7.090 10.453 -7.540 1.00 0.00 H new ATOM 0 HD22 ASN A 77 8.164 9.157 -7.004 1.00 0.00 H new ATOM 640 N ARG A 78 5.261 5.291 -9.024 1.00 0.00 N ATOM 641 CA ARG A 78 4.811 5.095 -10.396 1.00 0.00 C ATOM 642 C ARG A 78 3.465 4.375 -10.432 1.00 0.00 C ATOM 643 O ARG A 78 2.692 4.534 -11.377 1.00 0.00 O ATOM 644 CB ARG A 78 5.850 4.297 -11.186 1.00 0.00 C ATOM 645 CG ARG A 78 7.262 4.848 -11.063 1.00 0.00 C ATOM 646 CD ARG A 78 8.123 4.444 -12.248 1.00 0.00 C ATOM 647 NE ARG A 78 9.547 4.630 -11.980 1.00 0.00 N ATOM 648 CZ ARG A 78 10.508 4.360 -12.859 1.00 0.00 C ATOM 649 NH1 ARG A 78 10.205 3.891 -14.063 1.00 0.00 N ATOM 650 NH2 ARG A 78 11.778 4.559 -12.534 1.00 0.00 N ATOM 0 H ARG A 78 6.001 4.654 -8.727 1.00 0.00 H new ATOM 0 HA ARG A 78 4.689 6.076 -10.855 1.00 0.00 H new ATOM 0 HB2 ARG A 78 5.841 3.263 -10.841 1.00 0.00 H new ATOM 0 HB3 ARG A 78 5.564 4.285 -12.238 1.00 0.00 H new ATOM 0 HG2 ARG A 78 7.225 5.935 -10.993 1.00 0.00 H new ATOM 0 HG3 ARG A 78 7.716 4.485 -10.141 1.00 0.00 H new ATOM 0 HD2 ARG A 78 7.934 3.399 -12.494 1.00 0.00 H new ATOM 0 HD3 ARG A 78 7.839 5.033 -13.120 1.00 0.00 H new ATOM 0 HE ARG A 78 9.820 4.988 -11.065 1.00 0.00 H new ATOM 0 HH11 ARG A 78 9.230 3.735 -14.319 1.00 0.00 H new ATOM 0 HH12 ARG A 78 10.947 3.686 -14.732 1.00 0.00 H new ATOM 0 HH21 ARG A 78 12.018 4.919 -11.610 1.00 0.00 H new ATOM 0 HH22 ARG A 78 12.515 4.352 -13.208 1.00 0.00 H new ATOM 664 N CYS A 79 3.193 3.584 -9.399 1.00 0.00 N ATOM 665 CA CYS A 79 1.941 2.841 -9.314 1.00 0.00 C ATOM 666 C CYS A 79 0.918 3.588 -8.464 1.00 0.00 C ATOM 667 O CYS A 79 1.277 4.320 -7.541 1.00 0.00 O ATOM 668 CB CYS A 79 2.189 1.451 -8.727 1.00 0.00 C ATOM 669 SG CYS A 79 0.998 0.200 -9.264 1.00 0.00 S ATOM 0 H CYS A 79 3.823 3.441 -8.609 1.00 0.00 H new ATOM 0 HA CYS A 79 1.541 2.738 -10.323 1.00 0.00 H new ATOM 0 HB2 CYS A 79 3.192 1.125 -9.004 1.00 0.00 H new ATOM 0 HB3 CYS A 79 2.164 1.518 -7.639 1.00 0.00 H new ATOM 0 HG CYS A 79 0.942 -0.753 -8.382 1.00 0.00 H new ATOM 674 N SER A 80 -0.357 3.398 -8.781 1.00 0.00 N ATOM 675 CA SER A 80 -1.434 4.050 -8.046 1.00 0.00 C ATOM 676 C SER A 80 -2.631 3.116 -7.902 1.00 0.00 C ATOM 677 O SER A 80 -3.689 3.348 -8.487 1.00 0.00 O ATOM 678 CB SER A 80 -1.856 5.339 -8.755 1.00 0.00 C ATOM 679 OG SER A 80 -3.028 5.882 -8.171 1.00 0.00 O ATOM 0 H SER A 80 -0.671 2.797 -9.543 1.00 0.00 H new ATOM 0 HA SER A 80 -1.067 4.298 -7.050 1.00 0.00 H new ATOM 0 HB2 SER A 80 -1.048 6.068 -8.702 1.00 0.00 H new ATOM 0 HB3 SER A 80 -2.033 5.136 -9.811 1.00 0.00 H new ATOM 0 HG SER A 80 -3.768 5.247 -8.271 1.00 0.00 H new ATOM 685 N TYR A 81 -2.455 2.055 -7.121 1.00 0.00 N ATOM 686 CA TYR A 81 -3.517 1.080 -6.903 1.00 0.00 C ATOM 687 C TYR A 81 -3.876 0.982 -5.423 1.00 0.00 C ATOM 688 O TYR A 81 -3.012 1.100 -4.554 1.00 0.00 O ATOM 689 CB TYR A 81 -3.089 -0.293 -7.426 1.00 0.00 C ATOM 690 CG TYR A 81 -3.540 -0.569 -8.843 1.00 0.00 C ATOM 691 CD1 TYR A 81 -4.153 -1.771 -9.175 1.00 0.00 C ATOM 692 CD2 TYR A 81 -3.352 0.371 -9.849 1.00 0.00 C ATOM 693 CE1 TYR A 81 -4.566 -2.028 -10.469 1.00 0.00 C ATOM 694 CE2 TYR A 81 -3.763 0.121 -11.144 1.00 0.00 C ATOM 695 CZ TYR A 81 -4.369 -1.079 -11.449 1.00 0.00 C ATOM 696 OH TYR A 81 -4.779 -1.330 -12.738 1.00 0.00 O ATOM 0 H TYR A 81 -1.586 1.849 -6.628 1.00 0.00 H new ATOM 0 HA TYR A 81 -4.399 1.414 -7.449 1.00 0.00 H new ATOM 0 HB2 TYR A 81 -2.003 -0.368 -7.378 1.00 0.00 H new ATOM 0 HB3 TYR A 81 -3.491 -1.064 -6.769 1.00 0.00 H new ATOM 0 HD1 TYR A 81 -4.309 -2.517 -8.410 1.00 0.00 H new ATOM 0 HD2 TYR A 81 -2.877 1.312 -9.615 1.00 0.00 H new ATOM 0 HE1 TYR A 81 -5.041 -2.968 -10.711 1.00 0.00 H new ATOM 0 HE2 TYR A 81 -3.610 0.863 -11.914 1.00 0.00 H new ATOM 0 HH TYR A 81 -4.567 -0.559 -13.305 1.00 0.00 H new ATOM 706 N VAL A 82 -5.157 0.761 -5.145 1.00 0.00 N ATOM 707 CA VAL A 82 -5.633 0.640 -3.772 1.00 0.00 C ATOM 708 C VAL A 82 -6.070 -0.790 -3.475 1.00 0.00 C ATOM 709 O VAL A 82 -6.967 -1.323 -4.129 1.00 0.00 O ATOM 710 CB VAL A 82 -6.814 1.593 -3.496 1.00 0.00 C ATOM 711 CG1 VAL A 82 -7.064 1.712 -2.001 1.00 0.00 C ATOM 712 CG2 VAL A 82 -6.556 2.962 -4.111 1.00 0.00 C ATOM 0 H VAL A 82 -5.884 0.662 -5.853 1.00 0.00 H new ATOM 0 HA VAL A 82 -4.802 0.912 -3.122 1.00 0.00 H new ATOM 0 HB VAL A 82 -7.708 1.176 -3.960 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -7.901 2.388 -1.825 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -7.299 0.729 -1.592 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -6.172 2.104 -1.513 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -7.401 3.619 -3.905 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -5.651 3.390 -3.680 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -6.431 2.859 -5.189 1.00 0.00 H new ATOM 722 N GLY A 83 -5.431 -1.409 -2.488 1.00 0.00 N ATOM 723 CA GLY A 83 -5.769 -2.774 -2.130 1.00 0.00 C ATOM 724 C GLY A 83 -5.903 -2.972 -0.634 1.00 0.00 C ATOM 725 O GLY A 83 -5.436 -2.150 0.153 1.00 0.00 O ATOM 0 H GLY A 83 -4.686 -0.991 -1.930 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -6.706 -3.050 -2.614 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -5.002 -3.446 -2.514 1.00 0.00 H new ATOM 729 N CYS A 84 -6.540 -4.069 -0.240 1.00 0.00 N ATOM 730 CA CYS A 84 -6.732 -4.375 1.173 1.00 0.00 C ATOM 731 C CYS A 84 -5.760 -5.461 1.628 1.00 0.00 C ATOM 732 O CYS A 84 -5.407 -6.357 0.859 1.00 0.00 O ATOM 733 CB CYS A 84 -8.175 -4.811 1.438 1.00 0.00 C ATOM 734 SG CYS A 84 -8.806 -6.049 0.280 1.00 0.00 S ATOM 0 H CYS A 84 -6.932 -4.761 -0.879 1.00 0.00 H new ATOM 0 HA CYS A 84 -6.531 -3.470 1.746 1.00 0.00 H new ATOM 0 HB2 CYS A 84 -8.241 -5.211 2.450 1.00 0.00 H new ATOM 0 HB3 CYS A 84 -8.820 -3.933 1.399 1.00 0.00 H new ATOM 0 HG CYS A 84 -9.813 -5.555 -0.378 1.00 0.00 H new ATOM 739 N GLY A 85 -5.327 -5.368 2.882 1.00 0.00 N ATOM 740 CA GLY A 85 -4.394 -6.340 3.421 1.00 0.00 C ATOM 741 C GLY A 85 -5.039 -7.682 3.709 1.00 0.00 C ATOM 742 O GLY A 85 -6.126 -7.976 3.213 1.00 0.00 O ATOM 0 H GLY A 85 -5.606 -4.636 3.535 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -3.575 -6.480 2.715 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -3.959 -5.947 4.340 1.00 0.00 H new ATOM 746 N GLU A 86 -4.362 -8.496 4.512 1.00 0.00 N ATOM 747 CA GLU A 86 -4.863 -9.820 4.869 1.00 0.00 C ATOM 748 C GLU A 86 -6.200 -9.733 5.602 1.00 0.00 C ATOM 749 O GLU A 86 -6.927 -10.722 5.699 1.00 0.00 O ATOM 750 CB GLU A 86 -3.841 -10.555 5.737 1.00 0.00 C ATOM 751 CG GLU A 86 -3.350 -9.740 6.922 1.00 0.00 C ATOM 752 CD GLU A 86 -1.982 -9.132 6.684 1.00 0.00 C ATOM 753 OE1 GLU A 86 -1.724 -8.674 5.550 1.00 0.00 O ATOM 754 OE2 GLU A 86 -1.167 -9.113 7.631 1.00 0.00 O ATOM 0 H GLU A 86 -3.461 -8.262 4.930 1.00 0.00 H new ATOM 0 HA GLU A 86 -5.020 -10.376 3.945 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -4.286 -11.480 6.103 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -2.987 -10.834 5.120 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -4.065 -8.945 7.133 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -3.312 -10.377 7.806 1.00 0.00 H new ATOM 761 N SER A 87 -6.522 -8.550 6.118 1.00 0.00 N ATOM 762 CA SER A 87 -7.773 -8.351 6.840 1.00 0.00 C ATOM 763 C SER A 87 -8.977 -8.598 5.932 1.00 0.00 C ATOM 764 O SER A 87 -10.088 -8.825 6.410 1.00 0.00 O ATOM 765 CB SER A 87 -7.835 -6.933 7.413 1.00 0.00 C ATOM 766 OG SER A 87 -6.816 -6.728 8.375 1.00 0.00 O ATOM 0 H SER A 87 -5.936 -7.718 6.050 1.00 0.00 H new ATOM 0 HA SER A 87 -7.807 -9.070 7.658 1.00 0.00 H new ATOM 0 HB2 SER A 87 -7.730 -6.207 6.607 1.00 0.00 H new ATOM 0 HB3 SER A 87 -8.810 -6.764 7.870 1.00 0.00 H new ATOM 0 HG SER A 87 -6.875 -5.815 8.725 1.00 0.00 H new ATOM 772 N GLN A 88 -8.750 -8.555 4.622 1.00 0.00 N ATOM 773 CA GLN A 88 -9.818 -8.776 3.654 1.00 0.00 C ATOM 774 C GLN A 88 -9.479 -9.938 2.725 1.00 0.00 C ATOM 775 O GLN A 88 -10.068 -11.015 2.822 1.00 0.00 O ATOM 776 CB GLN A 88 -10.066 -7.507 2.837 1.00 0.00 C ATOM 777 CG GLN A 88 -11.256 -6.695 3.321 1.00 0.00 C ATOM 778 CD GLN A 88 -12.558 -7.129 2.678 1.00 0.00 C ATOM 779 OE1 GLN A 88 -13.459 -7.633 3.350 1.00 0.00 O ATOM 780 NE2 GLN A 88 -12.665 -6.936 1.367 1.00 0.00 N ATOM 0 H GLN A 88 -7.837 -8.369 4.208 1.00 0.00 H new ATOM 0 HA GLN A 88 -10.726 -9.028 4.203 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -9.173 -6.883 2.871 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -10.224 -7.781 1.794 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -11.340 -6.790 4.404 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -11.083 -5.640 3.107 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -11.894 -6.515 0.849 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -13.518 -7.209 0.879 1.00 0.00 H new ATOM 789 N VAL A 89 -8.527 -9.714 1.825 1.00 0.00 N ATOM 790 CA VAL A 89 -8.113 -10.746 0.879 1.00 0.00 C ATOM 791 C VAL A 89 -6.631 -10.623 0.530 1.00 0.00 C ATOM 792 O VAL A 89 -6.185 -11.134 -0.497 1.00 0.00 O ATOM 793 CB VAL A 89 -8.939 -10.682 -0.421 1.00 0.00 C ATOM 794 CG1 VAL A 89 -8.717 -11.932 -1.260 1.00 0.00 C ATOM 795 CG2 VAL A 89 -10.417 -10.494 -0.110 1.00 0.00 C ATOM 0 H VAL A 89 -8.028 -8.829 1.730 1.00 0.00 H new ATOM 0 HA VAL A 89 -8.287 -11.704 1.369 1.00 0.00 H new ATOM 0 HB VAL A 89 -8.602 -9.821 -0.999 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -9.309 -11.867 -2.173 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -7.661 -12.015 -1.517 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -9.022 -12.811 -0.692 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -10.982 -10.451 -1.041 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -10.772 -11.331 0.492 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -10.557 -9.565 0.442 1.00 0.00 H new ATOM 805 N ASP A 90 -5.871 -9.944 1.388 1.00 0.00 N ATOM 806 CA ASP A 90 -4.439 -9.759 1.162 1.00 0.00 C ATOM 807 C ASP A 90 -4.164 -9.262 -0.255 1.00 0.00 C ATOM 808 O ASP A 90 -3.158 -9.622 -0.868 1.00 0.00 O ATOM 809 CB ASP A 90 -3.690 -11.071 1.412 1.00 0.00 C ATOM 810 CG ASP A 90 -2.515 -10.895 2.354 1.00 0.00 C ATOM 811 OD1 ASP A 90 -2.043 -11.909 2.910 1.00 0.00 O ATOM 812 OD2 ASP A 90 -2.066 -9.744 2.535 1.00 0.00 O ATOM 0 H ASP A 90 -6.222 -9.514 2.244 1.00 0.00 H new ATOM 0 HA ASP A 90 -4.083 -9.004 1.863 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -4.379 -11.806 1.828 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -3.334 -11.470 0.462 1.00 0.00 H new ATOM 817 N HIS A 91 -5.064 -8.426 -0.768 1.00 0.00 N ATOM 818 CA HIS A 91 -4.919 -7.876 -2.110 1.00 0.00 C ATOM 819 C HIS A 91 -3.574 -7.176 -2.263 1.00 0.00 C ATOM 820 O HIS A 91 -2.941 -7.250 -3.316 1.00 0.00 O ATOM 821 CB HIS A 91 -6.057 -6.900 -2.411 1.00 0.00 C ATOM 822 CG HIS A 91 -7.192 -7.522 -3.163 1.00 0.00 C ATOM 823 ND1 HIS A 91 -8.484 -7.088 -2.998 1.00 0.00 N ATOM 824 CD2 HIS A 91 -7.177 -8.538 -4.060 1.00 0.00 C ATOM 825 CE1 HIS A 91 -9.223 -7.841 -3.791 1.00 0.00 C ATOM 826 NE2 HIS A 91 -8.475 -8.736 -4.455 1.00 0.00 N ATOM 0 H HIS A 91 -5.900 -8.116 -0.273 1.00 0.00 H new ATOM 0 HA HIS A 91 -4.963 -8.699 -2.823 1.00 0.00 H new ATOM 0 HB2 HIS A 91 -6.433 -6.492 -1.473 1.00 0.00 H new ATOM 0 HB3 HIS A 91 -5.664 -6.063 -2.988 1.00 0.00 H new ATOM 0 HD1 HIS A 91 -8.807 -6.337 -2.388 1.00 0.00 H new ATOM 0 HD2 HIS A 91 -6.310 -9.086 -4.398 1.00 0.00 H new ATOM 0 HE1 HIS A 91 -10.294 -7.749 -3.893 1.00 0.00 H new ATOM 834 N SER A 92 -3.140 -6.507 -1.202 1.00 0.00 N ATOM 835 CA SER A 92 -1.864 -5.804 -1.218 1.00 0.00 C ATOM 836 C SER A 92 -0.723 -6.777 -1.497 1.00 0.00 C ATOM 837 O SER A 92 0.242 -6.441 -2.186 1.00 0.00 O ATOM 838 CB SER A 92 -1.630 -5.092 0.115 1.00 0.00 C ATOM 839 OG SER A 92 -0.624 -4.101 -0.004 1.00 0.00 O ATOM 0 H SER A 92 -3.651 -6.437 -0.322 1.00 0.00 H new ATOM 0 HA SER A 92 -1.893 -5.059 -2.014 1.00 0.00 H new ATOM 0 HB2 SER A 92 -2.559 -4.633 0.453 1.00 0.00 H new ATOM 0 HB3 SER A 92 -1.340 -5.820 0.873 1.00 0.00 H new ATOM 0 HG SER A 92 -0.015 -4.339 -0.734 1.00 0.00 H new ATOM 845 N THR A 93 -0.846 -7.989 -0.963 1.00 0.00 N ATOM 846 CA THR A 93 0.171 -9.014 -1.160 1.00 0.00 C ATOM 847 C THR A 93 0.149 -9.520 -2.597 1.00 0.00 C ATOM 848 O THR A 93 1.186 -9.588 -3.260 1.00 0.00 O ATOM 849 CB THR A 93 -0.050 -10.176 -0.190 1.00 0.00 C ATOM 850 OG1 THR A 93 0.004 -9.725 1.151 1.00 0.00 O ATOM 851 CG2 THR A 93 0.969 -11.287 -0.341 1.00 0.00 C ATOM 0 H THR A 93 -1.638 -8.284 -0.392 1.00 0.00 H new ATOM 0 HA THR A 93 1.147 -8.571 -0.962 1.00 0.00 H new ATOM 0 HB THR A 93 -1.035 -10.573 -0.436 1.00 0.00 H new ATOM 0 HG1 THR A 93 -0.872 -9.371 1.413 1.00 0.00 H new ATOM 0 HG21 THR A 93 0.753 -12.078 0.377 1.00 0.00 H new ATOM 0 HG22 THR A 93 0.920 -11.691 -1.352 1.00 0.00 H new ATOM 0 HG23 THR A 93 1.968 -10.892 -0.156 1.00 0.00 H new ATOM 859 N ILE A 94 -1.041 -9.864 -3.081 1.00 0.00 N ATOM 860 CA ILE A 94 -1.188 -10.353 -4.448 1.00 0.00 C ATOM 861 C ILE A 94 -0.667 -9.320 -5.436 1.00 0.00 C ATOM 862 O ILE A 94 0.145 -9.632 -6.309 1.00 0.00 O ATOM 863 CB ILE A 94 -2.656 -10.679 -4.795 1.00 0.00 C ATOM 864 CG1 ILE A 94 -3.355 -11.358 -3.614 1.00 0.00 C ATOM 865 CG2 ILE A 94 -2.717 -11.559 -6.037 1.00 0.00 C ATOM 866 CD1 ILE A 94 -4.720 -11.921 -3.950 1.00 0.00 C ATOM 0 H ILE A 94 -1.911 -9.814 -2.552 1.00 0.00 H new ATOM 0 HA ILE A 94 -0.606 -11.272 -4.520 1.00 0.00 H new ATOM 0 HB ILE A 94 -3.180 -9.746 -5.003 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -2.721 -12.164 -3.244 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -3.460 -10.637 -2.803 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -3.757 -11.783 -6.273 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -2.259 -11.036 -6.876 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -2.179 -12.488 -5.851 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -5.150 -12.385 -3.063 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -5.372 -11.116 -4.291 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -4.622 -12.667 -4.739 1.00 0.00 H new ATOM 878 N HIS A 95 -1.129 -8.084 -5.282 1.00 0.00 N ATOM 879 CA HIS A 95 -0.697 -6.997 -6.152 1.00 0.00 C ATOM 880 C HIS A 95 0.814 -6.819 -6.057 1.00 0.00 C ATOM 881 O HIS A 95 1.482 -6.540 -7.052 1.00 0.00 O ATOM 882 CB HIS A 95 -1.409 -5.694 -5.771 1.00 0.00 C ATOM 883 CG HIS A 95 -0.878 -4.485 -6.482 1.00 0.00 C ATOM 884 ND1 HIS A 95 -1.571 -3.799 -7.454 1.00 0.00 N ATOM 885 CD2 HIS A 95 0.310 -3.843 -6.345 1.00 0.00 C ATOM 886 CE1 HIS A 95 -0.801 -2.784 -7.869 1.00 0.00 C ATOM 887 NE2 HIS A 95 0.352 -2.766 -7.226 1.00 0.00 N ATOM 0 H HIS A 95 -1.801 -7.811 -4.565 1.00 0.00 H new ATOM 0 HA HIS A 95 -0.958 -7.247 -7.180 1.00 0.00 H new ATOM 0 HB2 HIS A 95 -2.472 -5.795 -5.989 1.00 0.00 H new ATOM 0 HB3 HIS A 95 -1.317 -5.541 -4.696 1.00 0.00 H new ATOM 0 HD1 HIS A 95 -2.505 -4.024 -7.797 1.00 0.00 H new ATOM 0 HD2 HIS A 95 1.098 -4.123 -5.661 1.00 0.00 H new ATOM 0 HE1 HIS A 95 -1.086 -2.073 -8.630 1.00 0.00 H new ATOM 895 N SER A 96 1.345 -6.989 -4.849 1.00 0.00 N ATOM 896 CA SER A 96 2.776 -6.855 -4.618 1.00 0.00 C ATOM 897 C SER A 96 3.558 -7.841 -5.480 1.00 0.00 C ATOM 898 O SER A 96 4.578 -7.494 -6.068 1.00 0.00 O ATOM 899 CB SER A 96 3.100 -7.078 -3.139 1.00 0.00 C ATOM 900 OG SER A 96 4.460 -7.436 -2.958 1.00 0.00 O ATOM 0 H SER A 96 0.803 -7.220 -4.016 1.00 0.00 H new ATOM 0 HA SER A 96 3.072 -5.843 -4.896 1.00 0.00 H new ATOM 0 HB2 SER A 96 2.883 -6.170 -2.576 1.00 0.00 H new ATOM 0 HB3 SER A 96 2.459 -7.863 -2.738 1.00 0.00 H new ATOM 0 HG SER A 96 4.567 -7.887 -2.095 1.00 0.00 H new ATOM 906 N GLN A 97 3.080 -9.075 -5.555 1.00 0.00 N ATOM 907 CA GLN A 97 3.752 -10.094 -6.351 1.00 0.00 C ATOM 908 C GLN A 97 3.598 -9.810 -7.843 1.00 0.00 C ATOM 909 O GLN A 97 4.573 -9.834 -8.593 1.00 0.00 O ATOM 910 CB GLN A 97 3.193 -11.480 -6.021 1.00 0.00 C ATOM 911 CG GLN A 97 3.750 -12.069 -4.735 1.00 0.00 C ATOM 912 CD GLN A 97 3.211 -11.379 -3.498 1.00 0.00 C ATOM 913 OE1 GLN A 97 2.341 -11.909 -2.806 1.00 0.00 O ATOM 914 NE2 GLN A 97 3.727 -10.189 -3.211 1.00 0.00 N ATOM 0 H GLN A 97 2.236 -9.394 -5.079 1.00 0.00 H new ATOM 0 HA GLN A 97 4.813 -10.071 -6.104 1.00 0.00 H new ATOM 0 HB2 GLN A 97 2.108 -11.416 -5.941 1.00 0.00 H new ATOM 0 HB3 GLN A 97 3.413 -12.157 -6.846 1.00 0.00 H new ATOM 0 HG2 GLN A 97 3.506 -13.130 -4.690 1.00 0.00 H new ATOM 0 HG3 GLN A 97 4.837 -11.992 -4.745 1.00 0.00 H new ATOM 0 HE21 GLN A 97 4.446 -9.787 -3.812 1.00 0.00 H new ATOM 0 HE22 GLN A 97 3.404 -9.678 -2.390 1.00 0.00 H new ATOM 923 N GLU A 98 2.366 -9.543 -8.264 1.00 0.00 N ATOM 924 CA GLU A 98 2.071 -9.261 -9.667 1.00 0.00 C ATOM 925 C GLU A 98 3.013 -8.207 -10.249 1.00 0.00 C ATOM 926 O GLU A 98 3.567 -8.394 -11.332 1.00 0.00 O ATOM 927 CB GLU A 98 0.622 -8.795 -9.817 1.00 0.00 C ATOM 928 CG GLU A 98 -0.399 -9.886 -9.536 1.00 0.00 C ATOM 929 CD GLU A 98 -1.768 -9.561 -10.102 1.00 0.00 C ATOM 930 OE1 GLU A 98 -2.568 -10.501 -10.294 1.00 0.00 O ATOM 931 OE2 GLU A 98 -2.040 -8.369 -10.352 1.00 0.00 O ATOM 0 H GLU A 98 1.551 -9.516 -7.651 1.00 0.00 H new ATOM 0 HA GLU A 98 2.220 -10.186 -10.223 1.00 0.00 H new ATOM 0 HB2 GLU A 98 0.445 -7.960 -9.139 1.00 0.00 H new ATOM 0 HB3 GLU A 98 0.472 -8.421 -10.830 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -0.048 -10.826 -9.961 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -0.481 -10.034 -8.459 1.00 0.00 H new ATOM 938 N THR A 99 3.182 -7.098 -9.536 1.00 0.00 N ATOM 939 CA THR A 99 4.049 -6.019 -10.002 1.00 0.00 C ATOM 940 C THR A 99 5.355 -5.957 -9.213 1.00 0.00 C ATOM 941 O THR A 99 6.101 -4.985 -9.315 1.00 0.00 O ATOM 942 CB THR A 99 3.322 -4.678 -9.898 1.00 0.00 C ATOM 943 OG1 THR A 99 2.860 -4.461 -8.577 1.00 0.00 O ATOM 944 CG2 THR A 99 2.131 -4.569 -10.825 1.00 0.00 C ATOM 0 H THR A 99 2.733 -6.922 -8.637 1.00 0.00 H new ATOM 0 HA THR A 99 4.296 -6.225 -11.044 1.00 0.00 H new ATOM 0 HB THR A 99 4.057 -3.927 -10.188 1.00 0.00 H new ATOM 0 HG1 THR A 99 2.742 -3.500 -8.425 1.00 0.00 H new ATOM 0 HG21 THR A 99 1.661 -3.593 -10.701 1.00 0.00 H new ATOM 0 HG22 THR A 99 2.462 -4.683 -11.857 1.00 0.00 H new ATOM 0 HG23 THR A 99 1.411 -5.352 -10.586 1.00 0.00 H new ATOM 952 N LYS A 100 5.633 -6.995 -8.431 1.00 0.00 N ATOM 953 CA LYS A 100 6.854 -7.038 -7.634 1.00 0.00 C ATOM 954 C LYS A 100 6.955 -5.831 -6.699 1.00 0.00 C ATOM 955 O LYS A 100 8.044 -5.479 -6.245 1.00 0.00 O ATOM 956 CB LYS A 100 8.080 -7.089 -8.548 1.00 0.00 C ATOM 957 CG LYS A 100 8.176 -8.366 -9.367 1.00 0.00 C ATOM 958 CD LYS A 100 8.438 -9.576 -8.486 1.00 0.00 C ATOM 959 CE LYS A 100 7.602 -10.770 -8.916 1.00 0.00 C ATOM 960 NZ LYS A 100 7.113 -11.556 -7.749 1.00 0.00 N ATOM 0 H LYS A 100 5.033 -7.814 -8.332 1.00 0.00 H new ATOM 0 HA LYS A 100 6.819 -7.939 -7.022 1.00 0.00 H new ATOM 0 HB2 LYS A 100 8.054 -6.235 -9.224 1.00 0.00 H new ATOM 0 HB3 LYS A 100 8.980 -6.988 -7.941 1.00 0.00 H new ATOM 0 HG2 LYS A 100 7.250 -8.513 -9.923 1.00 0.00 H new ATOM 0 HG3 LYS A 100 8.976 -8.269 -10.101 1.00 0.00 H new ATOM 0 HD2 LYS A 100 9.496 -9.837 -8.529 1.00 0.00 H new ATOM 0 HD3 LYS A 100 8.213 -9.328 -7.449 1.00 0.00 H new ATOM 0 HE2 LYS A 100 6.751 -10.425 -9.503 1.00 0.00 H new ATOM 0 HE3 LYS A 100 8.196 -11.414 -9.564 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 6.547 -12.361 -8.085 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 7.925 -11.908 -7.202 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 6.525 -10.949 -7.143 1.00 0.00 H new ATOM 974 N HIS A 101 5.814 -5.214 -6.399 1.00 0.00 N ATOM 975 CA HIS A 101 5.779 -4.066 -5.500 1.00 0.00 C ATOM 976 C HIS A 101 5.668 -4.539 -4.055 1.00 0.00 C ATOM 977 O HIS A 101 4.575 -4.831 -3.571 1.00 0.00 O ATOM 978 CB HIS A 101 4.597 -3.155 -5.841 1.00 0.00 C ATOM 979 CG HIS A 101 4.647 -2.590 -7.227 1.00 0.00 C ATOM 980 ND1 HIS A 101 3.566 -1.945 -7.777 1.00 0.00 N ATOM 981 CD2 HIS A 101 5.662 -2.597 -8.123 1.00 0.00 C ATOM 982 CE1 HIS A 101 3.944 -1.576 -8.989 1.00 0.00 C ATOM 983 NE2 HIS A 101 5.207 -1.949 -9.243 1.00 0.00 N ATOM 0 H HIS A 101 4.903 -5.491 -6.766 1.00 0.00 H new ATOM 0 HA HIS A 101 6.703 -3.501 -5.622 1.00 0.00 H new ATOM 0 HB2 HIS A 101 3.671 -3.718 -5.722 1.00 0.00 H new ATOM 0 HB3 HIS A 101 4.566 -2.334 -5.125 1.00 0.00 H new ATOM 0 HD1 HIS A 101 2.658 -1.784 -7.340 1.00 0.00 H new ATOM 0 HD2 HIS A 101 6.642 -3.030 -7.983 1.00 0.00 H new ATOM 0 HE1 HIS A 101 3.315 -1.042 -9.686 1.00 0.00 H new ATOM 991 N TYR A 102 6.805 -4.626 -3.372 1.00 0.00 N ATOM 992 CA TYR A 102 6.831 -5.080 -1.985 1.00 0.00 C ATOM 993 C TYR A 102 6.681 -3.918 -1.006 1.00 0.00 C ATOM 994 O TYR A 102 7.059 -4.031 0.159 1.00 0.00 O ATOM 995 CB TYR A 102 8.134 -5.820 -1.695 1.00 0.00 C ATOM 996 CG TYR A 102 8.526 -6.809 -2.766 1.00 0.00 C ATOM 997 CD1 TYR A 102 9.651 -6.600 -3.552 1.00 0.00 C ATOM 998 CD2 TYR A 102 7.770 -7.951 -2.990 1.00 0.00 C ATOM 999 CE1 TYR A 102 10.014 -7.504 -4.532 1.00 0.00 C ATOM 1000 CE2 TYR A 102 8.124 -8.860 -3.967 1.00 0.00 C ATOM 1001 CZ TYR A 102 9.247 -8.632 -4.737 1.00 0.00 C ATOM 1002 OH TYR A 102 9.603 -9.535 -5.711 1.00 0.00 O ATOM 0 H TYR A 102 7.720 -4.388 -3.755 1.00 0.00 H new ATOM 0 HA TYR A 102 5.985 -5.754 -1.848 1.00 0.00 H new ATOM 0 HB2 TYR A 102 8.936 -5.091 -1.576 1.00 0.00 H new ATOM 0 HB3 TYR A 102 8.038 -6.346 -0.745 1.00 0.00 H new ATOM 0 HD1 TYR A 102 10.252 -5.717 -3.395 1.00 0.00 H new ATOM 0 HD2 TYR A 102 6.890 -8.132 -2.390 1.00 0.00 H new ATOM 0 HE1 TYR A 102 10.893 -7.328 -5.134 1.00 0.00 H new ATOM 0 HE2 TYR A 102 7.526 -9.745 -4.128 1.00 0.00 H new ATOM 0 HH TYR A 102 9.116 -10.374 -5.573 1.00 0.00 H new ATOM 1012 N LEU A 103 6.134 -2.803 -1.477 1.00 0.00 N ATOM 1013 CA LEU A 103 5.948 -1.636 -0.627 1.00 0.00 C ATOM 1014 C LEU A 103 4.486 -1.211 -0.598 1.00 0.00 C ATOM 1015 O LEU A 103 3.918 -0.830 -1.621 1.00 0.00 O ATOM 1016 CB LEU A 103 6.818 -0.478 -1.117 1.00 0.00 C ATOM 1017 CG LEU A 103 8.327 -0.709 -1.016 1.00 0.00 C ATOM 1018 CD1 LEU A 103 8.731 -0.970 0.426 1.00 0.00 C ATOM 1019 CD2 LEU A 103 8.753 -1.866 -1.907 1.00 0.00 C ATOM 0 H LEU A 103 5.813 -2.684 -2.438 1.00 0.00 H new ATOM 0 HA LEU A 103 6.249 -1.904 0.386 1.00 0.00 H new ATOM 0 HB2 LEU A 103 6.567 -0.271 -2.157 1.00 0.00 H new ATOM 0 HB3 LEU A 103 6.564 0.414 -0.544 1.00 0.00 H new ATOM 0 HG LEU A 103 8.835 0.192 -1.359 1.00 0.00 H new ATOM 0 HD11 LEU A 103 9.808 -1.132 0.479 1.00 0.00 H new ATOM 0 HD12 LEU A 103 8.463 -0.110 1.040 1.00 0.00 H new ATOM 0 HD13 LEU A 103 8.212 -1.855 0.795 1.00 0.00 H new ATOM 0 HD21 LEU A 103 9.829 -2.014 -1.821 1.00 0.00 H new ATOM 0 HD22 LEU A 103 8.236 -2.774 -1.597 1.00 0.00 H new ATOM 0 HD23 LEU A 103 8.499 -1.640 -2.943 1.00 0.00 H new ATOM 1031 N THR A 104 3.882 -1.279 0.583 1.00 0.00 N ATOM 1032 CA THR A 104 2.483 -0.898 0.744 1.00 0.00 C ATOM 1033 C THR A 104 2.284 -0.090 2.021 1.00 0.00 C ATOM 1034 O THR A 104 2.872 -0.397 3.057 1.00 0.00 O ATOM 1035 CB THR A 104 1.592 -2.142 0.765 1.00 0.00 C ATOM 1036 OG1 THR A 104 0.235 -1.784 0.956 1.00 0.00 O ATOM 1037 CG2 THR A 104 1.966 -3.127 1.851 1.00 0.00 C ATOM 0 H THR A 104 4.337 -1.593 1.440 1.00 0.00 H new ATOM 0 HA THR A 104 2.201 -0.275 -0.105 1.00 0.00 H new ATOM 0 HB THR A 104 1.740 -2.621 -0.203 1.00 0.00 H new ATOM 0 HG1 THR A 104 -0.338 -2.387 0.438 1.00 0.00 H new ATOM 0 HG21 THR A 104 1.295 -3.985 1.810 1.00 0.00 H new ATOM 0 HG22 THR A 104 2.993 -3.461 1.701 1.00 0.00 H new ATOM 0 HG23 THR A 104 1.880 -2.645 2.825 1.00 0.00 H new ATOM 1045 N VAL A 105 1.456 0.946 1.941 1.00 0.00 N ATOM 1046 CA VAL A 105 1.188 1.798 3.094 1.00 0.00 C ATOM 1047 C VAL A 105 -0.294 1.796 3.456 1.00 0.00 C ATOM 1048 O VAL A 105 -1.150 2.072 2.615 1.00 0.00 O ATOM 1049 CB VAL A 105 1.643 3.250 2.838 1.00 0.00 C ATOM 1050 CG1 VAL A 105 0.841 3.876 1.705 1.00 0.00 C ATOM 1051 CG2 VAL A 105 1.521 4.079 4.107 1.00 0.00 C ATOM 0 H VAL A 105 0.960 1.216 1.092 1.00 0.00 H new ATOM 0 HA VAL A 105 1.759 1.386 3.927 1.00 0.00 H new ATOM 0 HB VAL A 105 2.691 3.232 2.540 1.00 0.00 H new ATOM 0 HG11 VAL A 105 1.179 4.899 1.542 1.00 0.00 H new ATOM 0 HG12 VAL A 105 0.986 3.297 0.793 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -0.217 3.881 1.967 1.00 0.00 H new ATOM 0 HG21 VAL A 105 1.846 5.100 3.907 1.00 0.00 H new ATOM 0 HG22 VAL A 105 0.482 4.087 4.438 1.00 0.00 H new ATOM 0 HG23 VAL A 105 2.147 3.645 4.887 1.00 0.00 H new ATOM 1061 N ASN A 106 -0.587 1.490 4.715 1.00 0.00 N ATOM 1062 CA ASN A 106 -1.964 1.462 5.195 1.00 0.00 C ATOM 1063 C ASN A 106 -2.426 2.865 5.570 1.00 0.00 C ATOM 1064 O ASN A 106 -1.828 3.516 6.423 1.00 0.00 O ATOM 1065 CB ASN A 106 -2.095 0.527 6.400 1.00 0.00 C ATOM 1066 CG ASN A 106 -1.013 0.760 7.436 1.00 0.00 C ATOM 1067 OD1 ASN A 106 -1.028 1.759 8.154 1.00 0.00 O ATOM 1068 ND2 ASN A 106 -0.063 -0.165 7.515 1.00 0.00 N ATOM 0 H ASN A 106 0.111 1.258 5.422 1.00 0.00 H new ATOM 0 HA ASN A 106 -2.598 1.087 4.392 1.00 0.00 H new ATOM 0 HB2 ASN A 106 -3.072 0.669 6.862 1.00 0.00 H new ATOM 0 HB3 ASN A 106 -2.051 -0.508 6.060 1.00 0.00 H new ATOM 0 HD21 ASN A 106 0.694 -0.062 8.191 1.00 0.00 H new ATOM 0 HD22 ASN A 106 -0.090 -0.978 6.899 1.00 0.00 H new ATOM 1075 N LEU A 107 -3.487 3.327 4.920 1.00 0.00 N ATOM 1076 CA LEU A 107 -4.022 4.659 5.180 1.00 0.00 C ATOM 1077 C LEU A 107 -4.728 4.727 6.535 1.00 0.00 C ATOM 1078 O LEU A 107 -5.084 5.809 7.002 1.00 0.00 O ATOM 1079 CB LEU A 107 -4.992 5.068 4.068 1.00 0.00 C ATOM 1080 CG LEU A 107 -4.627 4.563 2.668 1.00 0.00 C ATOM 1081 CD1 LEU A 107 -5.704 3.630 2.137 1.00 0.00 C ATOM 1082 CD2 LEU A 107 -4.414 5.731 1.715 1.00 0.00 C ATOM 0 H LEU A 107 -3.994 2.800 4.209 1.00 0.00 H new ATOM 0 HA LEU A 107 -3.182 5.353 5.201 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -5.987 4.701 4.322 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -5.051 6.156 4.041 1.00 0.00 H new ATOM 0 HG LEU A 107 -3.694 4.004 2.739 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -5.426 3.282 1.142 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -5.806 2.775 2.805 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -6.653 4.163 2.083 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -4.156 5.352 0.726 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -5.329 6.319 1.650 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -3.604 6.360 2.085 1.00 0.00 H new ATOM 1094 N THR A 108 -4.934 3.571 7.159 1.00 0.00 N ATOM 1095 CA THR A 108 -5.603 3.512 8.454 1.00 0.00 C ATOM 1096 C THR A 108 -4.661 3.919 9.584 1.00 0.00 C ATOM 1097 O THR A 108 -5.079 4.549 10.555 1.00 0.00 O ATOM 1098 CB THR A 108 -6.144 2.105 8.705 1.00 0.00 C ATOM 1099 OG1 THR A 108 -6.414 1.449 7.478 1.00 0.00 O ATOM 1100 CG2 THR A 108 -7.416 2.088 9.525 1.00 0.00 C ATOM 0 H THR A 108 -4.648 2.664 6.790 1.00 0.00 H new ATOM 0 HA THR A 108 -6.433 4.218 8.435 1.00 0.00 H new ATOM 0 HB THR A 108 -5.365 1.591 9.267 1.00 0.00 H new ATOM 0 HG1 THR A 108 -6.758 0.549 7.657 1.00 0.00 H new ATOM 0 HG21 THR A 108 -7.745 1.058 9.665 1.00 0.00 H new ATOM 0 HG22 THR A 108 -7.229 2.545 10.497 1.00 0.00 H new ATOM 0 HG23 THR A 108 -8.192 2.649 9.004 1.00 0.00 H new ATOM 1108 N THR A 109 -3.390 3.554 9.452 1.00 0.00 N ATOM 1109 CA THR A 109 -2.393 3.881 10.467 1.00 0.00 C ATOM 1110 C THR A 109 -1.277 4.757 9.895 1.00 0.00 C ATOM 1111 O THR A 109 -0.385 5.191 10.624 1.00 0.00 O ATOM 1112 CB THR A 109 -1.796 2.601 11.053 1.00 0.00 C ATOM 1113 OG1 THR A 109 -2.688 1.512 10.891 1.00 0.00 O ATOM 1114 CG2 THR A 109 -1.473 2.714 12.527 1.00 0.00 C ATOM 0 H THR A 109 -3.026 3.033 8.654 1.00 0.00 H new ATOM 0 HA THR A 109 -2.895 4.442 11.255 1.00 0.00 H new ATOM 0 HB THR A 109 -0.868 2.436 10.505 1.00 0.00 H new ATOM 0 HG1 THR A 109 -2.288 0.702 11.270 1.00 0.00 H new ATOM 0 HG21 THR A 109 -1.053 1.772 12.881 1.00 0.00 H new ATOM 0 HG22 THR A 109 -0.749 3.515 12.681 1.00 0.00 H new ATOM 0 HG23 THR A 109 -2.384 2.937 13.083 1.00 0.00 H new ATOM 1122 N LEU A 110 -1.329 5.015 8.590 1.00 0.00 N ATOM 1123 CA LEU A 110 -0.320 5.837 7.932 1.00 0.00 C ATOM 1124 C LEU A 110 1.067 5.217 8.073 1.00 0.00 C ATOM 1125 O LEU A 110 2.063 5.926 8.212 1.00 0.00 O ATOM 1126 CB LEU A 110 -0.323 7.251 8.518 1.00 0.00 C ATOM 1127 CG LEU A 110 -1.411 8.177 7.970 1.00 0.00 C ATOM 1128 CD1 LEU A 110 -1.424 9.494 8.731 1.00 0.00 C ATOM 1129 CD2 LEU A 110 -1.202 8.422 6.483 1.00 0.00 C ATOM 0 H LEU A 110 -2.059 4.666 7.969 1.00 0.00 H new ATOM 0 HA LEU A 110 -0.566 5.890 6.872 1.00 0.00 H new ATOM 0 HB2 LEU A 110 -0.439 7.179 9.599 1.00 0.00 H new ATOM 0 HB3 LEU A 110 0.649 7.707 8.331 1.00 0.00 H new ATOM 0 HG LEU A 110 -2.377 7.692 8.107 1.00 0.00 H new ATOM 0 HD11 LEU A 110 -2.204 10.140 8.327 1.00 0.00 H new ATOM 0 HD12 LEU A 110 -1.621 9.303 9.786 1.00 0.00 H new ATOM 0 HD13 LEU A 110 -0.456 9.985 8.626 1.00 0.00 H new ATOM 0 HD21 LEU A 110 -1.985 9.082 6.110 1.00 0.00 H new ATOM 0 HD22 LEU A 110 -0.229 8.886 6.324 1.00 0.00 H new ATOM 0 HD23 LEU A 110 -1.243 7.473 5.949 1.00 0.00 H new ATOM 1141 N ARG A 111 1.125 3.889 8.038 1.00 0.00 N ATOM 1142 CA ARG A 111 2.391 3.174 8.162 1.00 0.00 C ATOM 1143 C ARG A 111 2.733 2.441 6.867 1.00 0.00 C ATOM 1144 O ARG A 111 1.858 2.175 6.044 1.00 0.00 O ATOM 1145 CB ARG A 111 2.329 2.181 9.325 1.00 0.00 C ATOM 1146 CG ARG A 111 1.869 2.806 10.632 1.00 0.00 C ATOM 1147 CD ARG A 111 2.990 3.584 11.303 1.00 0.00 C ATOM 1148 NE ARG A 111 2.497 4.420 12.395 1.00 0.00 N ATOM 1149 CZ ARG A 111 3.174 5.445 12.908 1.00 0.00 C ATOM 1150 NH1 ARG A 111 4.371 5.764 12.432 1.00 0.00 N ATOM 1151 NH2 ARG A 111 2.654 6.152 13.901 1.00 0.00 N ATOM 0 H ARG A 111 0.310 3.286 7.925 1.00 0.00 H new ATOM 0 HA ARG A 111 3.174 3.906 8.360 1.00 0.00 H new ATOM 0 HB2 ARG A 111 1.652 1.368 9.062 1.00 0.00 H new ATOM 0 HB3 ARG A 111 3.316 1.741 9.469 1.00 0.00 H new ATOM 0 HG2 ARG A 111 1.027 3.471 10.442 1.00 0.00 H new ATOM 0 HG3 ARG A 111 1.513 2.025 11.304 1.00 0.00 H new ATOM 0 HD2 ARG A 111 3.735 2.888 11.687 1.00 0.00 H new ATOM 0 HD3 ARG A 111 3.490 4.210 10.564 1.00 0.00 H new ATOM 0 HE ARG A 111 1.580 4.206 12.787 1.00 0.00 H new ATOM 0 HH11 ARG A 111 4.777 5.223 11.669 1.00 0.00 H new ATOM 0 HH12 ARG A 111 4.885 6.551 12.829 1.00 0.00 H new ATOM 0 HH21 ARG A 111 1.735 5.911 14.272 1.00 0.00 H new ATOM 0 HH22 ARG A 111 3.173 6.937 14.294 1.00 0.00 H new ATOM 1165 N VAL A 112 4.011 2.119 6.695 1.00 0.00 N ATOM 1166 CA VAL A 112 4.472 1.418 5.501 1.00 0.00 C ATOM 1167 C VAL A 112 4.927 0.001 5.835 1.00 0.00 C ATOM 1168 O VAL A 112 5.398 -0.267 6.940 1.00 0.00 O ATOM 1169 CB VAL A 112 5.631 2.170 4.820 1.00 0.00 C ATOM 1170 CG1 VAL A 112 5.965 1.534 3.479 1.00 0.00 C ATOM 1171 CG2 VAL A 112 5.291 3.644 4.650 1.00 0.00 C ATOM 0 H VAL A 112 4.747 2.333 7.368 1.00 0.00 H new ATOM 0 HA VAL A 112 3.626 1.372 4.816 1.00 0.00 H new ATOM 0 HB VAL A 112 6.510 2.098 5.460 1.00 0.00 H new ATOM 0 HG11 VAL A 112 6.786 2.079 3.012 1.00 0.00 H new ATOM 0 HG12 VAL A 112 6.259 0.496 3.632 1.00 0.00 H new ATOM 0 HG13 VAL A 112 5.090 1.572 2.830 1.00 0.00 H new ATOM 0 HG21 VAL A 112 6.123 4.156 4.167 1.00 0.00 H new ATOM 0 HG22 VAL A 112 4.397 3.743 4.034 1.00 0.00 H new ATOM 0 HG23 VAL A 112 5.108 4.090 5.628 1.00 0.00 H new ATOM 1181 N TRP A 113 4.781 -0.905 4.873 1.00 0.00 N ATOM 1182 CA TRP A 113 5.176 -2.296 5.066 1.00 0.00 C ATOM 1183 C TRP A 113 6.035 -2.790 3.905 1.00 0.00 C ATOM 1184 O TRP A 113 5.766 -2.484 2.740 1.00 0.00 O ATOM 1185 CB TRP A 113 3.938 -3.184 5.216 1.00 0.00 C ATOM 1186 CG TRP A 113 4.265 -4.629 5.437 1.00 0.00 C ATOM 1187 CD1 TRP A 113 4.170 -5.641 4.523 1.00 0.00 C ATOM 1188 CD2 TRP A 113 4.741 -5.227 6.649 1.00 0.00 C ATOM 1189 NE1 TRP A 113 4.557 -6.830 5.094 1.00 0.00 N ATOM 1190 CE2 TRP A 113 4.911 -6.601 6.397 1.00 0.00 C ATOM 1191 CE3 TRP A 113 5.039 -4.733 7.922 1.00 0.00 C ATOM 1192 CZ2 TRP A 113 5.366 -7.485 7.373 1.00 0.00 C ATOM 1193 CZ3 TRP A 113 5.490 -5.611 8.889 1.00 0.00 C ATOM 1194 CH2 TRP A 113 5.651 -6.974 8.609 1.00 0.00 C ATOM 0 H TRP A 113 4.392 -0.701 3.952 1.00 0.00 H new ATOM 0 HA TRP A 113 5.769 -2.353 5.979 1.00 0.00 H new ATOM 0 HB2 TRP A 113 3.340 -2.823 6.053 1.00 0.00 H new ATOM 0 HB3 TRP A 113 3.323 -3.091 4.321 1.00 0.00 H new ATOM 0 HD1 TRP A 113 3.839 -5.524 3.502 1.00 0.00 H new ATOM 0 HE1 TRP A 113 4.577 -7.735 4.624 1.00 0.00 H new ATOM 0 HE3 TRP A 113 4.919 -3.683 8.146 1.00 0.00 H new ATOM 0 HZ2 TRP A 113 5.489 -8.537 7.161 1.00 0.00 H new ATOM 0 HZ3 TRP A 113 5.722 -5.240 9.877 1.00 0.00 H new ATOM 0 HH2 TRP A 113 6.008 -7.635 9.385 1.00 0.00 H new ATOM 1205 N CYS A 114 7.071 -3.559 4.238 1.00 0.00 N ATOM 1206 CA CYS A 114 7.984 -4.110 3.240 1.00 0.00 C ATOM 1207 C CYS A 114 7.904 -5.636 3.221 1.00 0.00 C ATOM 1208 O CYS A 114 8.329 -6.300 4.170 1.00 0.00 O ATOM 1209 CB CYS A 114 9.415 -3.668 3.540 1.00 0.00 C ATOM 1210 SG CYS A 114 10.574 -3.954 2.183 1.00 0.00 S ATOM 0 H CYS A 114 7.299 -3.815 5.199 1.00 0.00 H new ATOM 0 HA CYS A 114 7.691 -3.735 2.260 1.00 0.00 H new ATOM 0 HB2 CYS A 114 9.412 -2.606 3.784 1.00 0.00 H new ATOM 0 HB3 CYS A 114 9.770 -4.197 4.424 1.00 0.00 H new ATOM 0 HG CYS A 114 11.506 -3.048 2.210 1.00 0.00 H new ATOM 1215 N TYR A 115 7.348 -6.186 2.143 1.00 0.00 N ATOM 1216 CA TYR A 115 7.205 -7.634 2.005 1.00 0.00 C ATOM 1217 C TYR A 115 8.558 -8.318 1.821 1.00 0.00 C ATOM 1218 O TYR A 115 8.812 -9.374 2.400 1.00 0.00 O ATOM 1219 CB TYR A 115 6.294 -7.971 0.822 1.00 0.00 C ATOM 1220 CG TYR A 115 4.820 -7.819 1.123 1.00 0.00 C ATOM 1221 CD1 TYR A 115 4.252 -8.429 2.235 1.00 0.00 C ATOM 1222 CD2 TYR A 115 3.996 -7.068 0.294 1.00 0.00 C ATOM 1223 CE1 TYR A 115 2.904 -8.294 2.511 1.00 0.00 C ATOM 1224 CE2 TYR A 115 2.649 -6.928 0.564 1.00 0.00 C ATOM 1225 CZ TYR A 115 2.108 -7.543 1.674 1.00 0.00 C ATOM 1226 OH TYR A 115 0.766 -7.406 1.947 1.00 0.00 O ATOM 0 H TYR A 115 6.989 -5.651 1.352 1.00 0.00 H new ATOM 0 HA TYR A 115 6.757 -8.006 2.926 1.00 0.00 H new ATOM 0 HB2 TYR A 115 6.552 -7.326 -0.018 1.00 0.00 H new ATOM 0 HB3 TYR A 115 6.487 -8.997 0.508 1.00 0.00 H new ATOM 0 HD1 TYR A 115 4.873 -9.018 2.894 1.00 0.00 H new ATOM 0 HD2 TYR A 115 4.416 -6.586 -0.576 1.00 0.00 H new ATOM 0 HE1 TYR A 115 2.477 -8.775 3.379 1.00 0.00 H new ATOM 0 HE2 TYR A 115 2.022 -6.340 -0.090 1.00 0.00 H new ATOM 0 HH TYR A 115 0.365 -8.292 2.069 1.00 0.00 H new ATOM 1236 N ALA A 116 9.420 -7.716 1.007 1.00 0.00 N ATOM 1237 CA ALA A 116 10.741 -8.275 0.744 1.00 0.00 C ATOM 1238 C ALA A 116 11.543 -8.404 2.031 1.00 0.00 C ATOM 1239 O ALA A 116 12.060 -9.475 2.351 1.00 0.00 O ATOM 1240 CB ALA A 116 11.487 -7.415 -0.263 1.00 0.00 C ATOM 0 H ALA A 116 9.227 -6.842 0.519 1.00 0.00 H new ATOM 0 HA ALA A 116 10.612 -9.273 0.324 1.00 0.00 H new ATOM 0 HB1 ALA A 116 12.471 -7.844 -0.450 1.00 0.00 H new ATOM 0 HB2 ALA A 116 10.925 -7.377 -1.196 1.00 0.00 H new ATOM 0 HB3 ALA A 116 11.600 -6.406 0.134 1.00 0.00 H new ATOM 1246 N CYS A 117 11.636 -7.306 2.770 1.00 0.00 N ATOM 1247 CA CYS A 117 12.367 -7.293 4.028 1.00 0.00 C ATOM 1248 C CYS A 117 11.636 -8.122 5.079 1.00 0.00 C ATOM 1249 O CYS A 117 12.256 -8.697 5.972 1.00 0.00 O ATOM 1250 CB CYS A 117 12.549 -5.858 4.523 1.00 0.00 C ATOM 1251 SG CYS A 117 14.017 -5.034 3.863 1.00 0.00 S ATOM 0 H CYS A 117 11.213 -6.412 2.519 1.00 0.00 H new ATOM 0 HA CYS A 117 13.350 -7.733 3.859 1.00 0.00 H new ATOM 0 HB2 CYS A 117 11.667 -5.277 4.254 1.00 0.00 H new ATOM 0 HB3 CYS A 117 12.607 -5.864 5.611 1.00 0.00 H new ATOM 0 HG CYS A 117 13.667 -3.929 3.275 1.00 0.00 H new ATOM 1256 N SER A 118 10.309 -8.170 4.962 1.00 0.00 N ATOM 1257 CA SER A 118 9.471 -8.921 5.894 1.00 0.00 C ATOM 1258 C SER A 118 9.304 -8.161 7.206 1.00 0.00 C ATOM 1259 O SER A 118 9.457 -8.723 8.289 1.00 0.00 O ATOM 1260 CB SER A 118 10.058 -10.316 6.154 1.00 0.00 C ATOM 1261 OG SER A 118 10.961 -10.305 7.247 1.00 0.00 O ATOM 0 H SER A 118 9.789 -7.694 4.225 1.00 0.00 H new ATOM 0 HA SER A 118 8.488 -9.042 5.439 1.00 0.00 H new ATOM 0 HB2 SER A 118 9.250 -11.020 6.355 1.00 0.00 H new ATOM 0 HB3 SER A 118 10.572 -10.668 5.260 1.00 0.00 H new ATOM 0 HG SER A 118 11.578 -9.550 7.154 1.00 0.00 H new ATOM 1267 N LYS A 119 8.982 -6.875 7.097 1.00 0.00 N ATOM 1268 CA LYS A 119 8.792 -6.037 8.275 1.00 0.00 C ATOM 1269 C LYS A 119 8.224 -4.675 7.892 1.00 0.00 C ATOM 1270 O LYS A 119 8.134 -4.339 6.710 1.00 0.00 O ATOM 1271 CB LYS A 119 10.116 -5.858 9.019 1.00 0.00 C ATOM 1272 CG LYS A 119 11.257 -5.397 8.127 1.00 0.00 C ATOM 1273 CD LYS A 119 11.331 -3.880 8.054 1.00 0.00 C ATOM 1274 CE LYS A 119 12.484 -3.334 8.883 1.00 0.00 C ATOM 1275 NZ LYS A 119 13.550 -2.742 8.028 1.00 0.00 N ATOM 0 H LYS A 119 8.848 -6.393 6.208 1.00 0.00 H new ATOM 0 HA LYS A 119 8.078 -6.536 8.931 1.00 0.00 H new ATOM 0 HB2 LYS A 119 9.977 -5.133 9.821 1.00 0.00 H new ATOM 0 HB3 LYS A 119 10.391 -6.803 9.487 1.00 0.00 H new ATOM 0 HG2 LYS A 119 12.199 -5.790 8.508 1.00 0.00 H new ATOM 0 HG3 LYS A 119 11.124 -5.804 7.125 1.00 0.00 H new ATOM 0 HD2 LYS A 119 11.451 -3.571 7.016 1.00 0.00 H new ATOM 0 HD3 LYS A 119 10.393 -3.452 8.408 1.00 0.00 H new ATOM 0 HE2 LYS A 119 12.109 -2.577 9.572 1.00 0.00 H new ATOM 0 HE3 LYS A 119 12.907 -4.135 9.489 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 14.317 -2.381 8.630 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 13.926 -3.470 7.387 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 13.152 -1.961 7.469 1.00 0.00 H new ATOM 1289 N GLU A 120 7.843 -3.895 8.898 1.00 0.00 N ATOM 1290 CA GLU A 120 7.285 -2.568 8.668 1.00 0.00 C ATOM 1291 C GLU A 120 8.393 -1.529 8.535 1.00 0.00 C ATOM 1292 O GLU A 120 9.416 -1.608 9.215 1.00 0.00 O ATOM 1293 CB GLU A 120 6.344 -2.183 9.811 1.00 0.00 C ATOM 1294 CG GLU A 120 7.039 -2.066 11.158 1.00 0.00 C ATOM 1295 CD GLU A 120 6.311 -1.138 12.110 1.00 0.00 C ATOM 1296 OE1 GLU A 120 6.411 -1.349 13.338 1.00 0.00 O ATOM 1297 OE2 GLU A 120 5.641 -0.200 11.630 1.00 0.00 O ATOM 0 H GLU A 120 7.911 -4.159 9.881 1.00 0.00 H new ATOM 0 HA GLU A 120 6.721 -2.594 7.735 1.00 0.00 H new ATOM 0 HB2 GLU A 120 5.868 -1.232 9.574 1.00 0.00 H new ATOM 0 HB3 GLU A 120 5.551 -2.927 9.884 1.00 0.00 H new ATOM 0 HG2 GLU A 120 7.118 -3.055 11.609 1.00 0.00 H new ATOM 0 HG3 GLU A 120 8.056 -1.702 11.008 1.00 0.00 H new ATOM 1304 N VAL A 121 8.184 -0.558 7.653 1.00 0.00 N ATOM 1305 CA VAL A 121 9.166 0.496 7.428 1.00 0.00 C ATOM 1306 C VAL A 121 8.532 1.875 7.563 1.00 0.00 C ATOM 1307 O VAL A 121 7.309 2.013 7.545 1.00 0.00 O ATOM 1308 CB VAL A 121 9.814 0.373 6.036 1.00 0.00 C ATOM 1309 CG1 VAL A 121 10.847 -0.744 6.023 1.00 0.00 C ATOM 1310 CG2 VAL A 121 8.752 0.143 4.969 1.00 0.00 C ATOM 0 H VAL A 121 7.343 -0.479 7.082 1.00 0.00 H new ATOM 0 HA VAL A 121 9.937 0.378 8.190 1.00 0.00 H new ATOM 0 HB VAL A 121 10.324 1.309 5.810 1.00 0.00 H new ATOM 0 HG11 VAL A 121 11.293 -0.815 5.031 1.00 0.00 H new ATOM 0 HG12 VAL A 121 11.624 -0.529 6.756 1.00 0.00 H new ATOM 0 HG13 VAL A 121 10.364 -1.689 6.272 1.00 0.00 H new ATOM 0 HG21 VAL A 121 9.229 0.059 3.993 1.00 0.00 H new ATOM 0 HG22 VAL A 121 8.209 -0.777 5.188 1.00 0.00 H new ATOM 0 HG23 VAL A 121 8.056 0.982 4.961 1.00 0.00 H new ATOM 1320 N PHE A 122 9.372 2.897 7.698 1.00 0.00 N ATOM 1321 CA PHE A 122 8.893 4.268 7.836 1.00 0.00 C ATOM 1322 C PHE A 122 9.343 5.123 6.656 1.00 0.00 C ATOM 1323 O PHE A 122 10.517 5.121 6.285 1.00 0.00 O ATOM 1324 CB PHE A 122 9.398 4.878 9.145 1.00 0.00 C ATOM 1325 CG PHE A 122 10.894 5.000 9.215 1.00 0.00 C ATOM 1326 CD1 PHE A 122 11.512 6.224 9.016 1.00 0.00 C ATOM 1327 CD2 PHE A 122 11.682 3.892 9.481 1.00 0.00 C ATOM 1328 CE1 PHE A 122 12.887 6.341 9.080 1.00 0.00 C ATOM 1329 CE2 PHE A 122 13.058 4.002 9.546 1.00 0.00 C ATOM 1330 CZ PHE A 122 13.661 5.228 9.345 1.00 0.00 C ATOM 0 H PHE A 122 10.387 2.801 7.715 1.00 0.00 H new ATOM 0 HA PHE A 122 7.803 4.246 7.851 1.00 0.00 H new ATOM 0 HB2 PHE A 122 8.955 5.866 9.270 1.00 0.00 H new ATOM 0 HB3 PHE A 122 9.052 4.266 9.978 1.00 0.00 H new ATOM 0 HD1 PHE A 122 10.911 7.097 8.808 1.00 0.00 H new ATOM 0 HD2 PHE A 122 11.215 2.931 9.639 1.00 0.00 H new ATOM 0 HE1 PHE A 122 13.356 7.301 8.923 1.00 0.00 H new ATOM 0 HE2 PHE A 122 13.661 3.130 9.754 1.00 0.00 H new ATOM 0 HZ PHE A 122 14.736 5.316 9.395 1.00 0.00 H new