USER MOD reduce.3.24.130724 H: found=0, std=0, add=746, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 749 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 83 ASN : amide:sc= -0.445 K(o=0.49,f=-11!) USER MOD Set 1.2: A 96 THR OG1 : rot 180:sc= 0.935 USER MOD Set 2.1: A 73 SER OG : rot -100:sc= 0.721 USER MOD Set 2.2: A 82 HIS : no HE2:sc= -3.35! C(o=-4.1!,f=-12!) USER MOD Set 2.3: A 97 TYR OH : rot -110:sc= -1.5 USER MOD Set 3.1: A 78 SER OG : rot 180:sc= -0.0193 USER MOD Set 3.2: A 79 ASN : amide:sc= -2.65 K(o=-2.7,f=0.38) USER MOD Set 4.1: A 17 ASN : amide:sc= -0.863 K(o=-0.86,f=0.065) USER MOD Set 4.2: A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot -20:sc= 0.873! USER MOD Single : A 19 GLN : amide:sc=-0.00858 X(o=-0.0086,f=-0.41) USER MOD Single : A 29 SER OG : rot -60:sc= -0.0458 USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot 180:sc= -0.604 USER MOD Single : A 33 TYR OH : rot 60:sc= -0.862 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 36 ASN : amide:sc= -1.61 K(o=-1.6,f=-0.26) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 40 HIS : no HE2:sc= -5.8! C(o=-5.8!,f=-5.6!) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 SER OG : rot -58:sc= 0.948 USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=-0.0072) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 GLN : amide:sc= -0.286 X(o=-0.29,f=-0.00013) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 89 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 93 SER OG : rot 74:sc= 1.66 USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 100 ASN : amide:sc= -6.67! C(o=-6.7!,f=-17!) USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 103 TYR OH : rot 180:sc= 0 USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD Single : A 108 ASN : amide:sc= -2.22 K(o=-2.2,f=-0.71) USER MOD Single : A 109 SER OG : rot -173:sc= -3.75! USER MOD Single : A 114 SER OG : rot -4:sc= -0.28! USER MOD Single : A 119 SER OG : rot -170:sc= -0.0857 USER MOD Single : A 123 THR OG1 : rot 180:sc= 0 USER MOD Single : A 125 GLN : amide:sc= 0 X(o=0,f=-0.25) USER MOD ----------------------------------------------------------------- ATOM 25 N ARG A 8 30.669 -4.671 2.219 1.00 0.00 N ATOM 26 CA ARG A 8 29.377 -4.332 1.636 1.00 0.00 C ATOM 27 C ARG A 8 28.952 -2.923 2.034 1.00 0.00 C ATOM 28 O ARG A 8 29.741 -2.157 2.588 1.00 0.00 O ATOM 29 CB ARG A 8 28.319 -5.340 2.087 1.00 0.00 C ATOM 30 CG ARG A 8 28.798 -6.782 2.046 1.00 0.00 C ATOM 31 CD ARG A 8 27.810 -7.718 2.722 1.00 0.00 C ATOM 32 NE ARG A 8 27.727 -7.483 4.160 1.00 0.00 N ATOM 33 CZ ARG A 8 28.632 -7.918 5.031 1.00 0.00 C ATOM 34 NH1 ARG A 8 29.684 -8.607 4.608 1.00 0.00 N ATOM 35 NH2 ARG A 8 28.487 -7.665 6.324 1.00 0.00 N ATOM 0 HA ARG A 8 29.472 -4.369 0.551 1.00 0.00 H new ATOM 0 HB2 ARG A 8 28.008 -5.098 3.103 1.00 0.00 H new ATOM 0 HB3 ARG A 8 27.439 -5.240 1.452 1.00 0.00 H new ATOM 0 HG2 ARG A 8 28.941 -7.089 1.010 1.00 0.00 H new ATOM 0 HG3 ARG A 8 29.768 -6.858 2.538 1.00 0.00 H new ATOM 0 HD2 ARG A 8 26.824 -7.587 2.276 1.00 0.00 H new ATOM 0 HD3 ARG A 8 28.107 -8.751 2.540 1.00 0.00 H new ATOM 0 HE ARG A 8 26.930 -6.956 4.517 1.00 0.00 H new ATOM 0 HH11 ARG A 8 29.799 -8.803 3.614 1.00 0.00 H new ATOM 0 HH12 ARG A 8 30.378 -8.940 5.277 1.00 0.00 H new ATOM 0 HH21 ARG A 8 27.680 -7.135 6.653 1.00 0.00 H new ATOM 0 HH22 ARG A 8 29.183 -8.000 6.990 1.00 0.00 H new ATOM 49 N CYS A 9 27.698 -2.591 1.751 1.00 0.00 N ATOM 50 CA CYS A 9 27.155 -1.280 2.084 1.00 0.00 C ATOM 51 C CYS A 9 26.513 -1.300 3.467 1.00 0.00 C ATOM 52 O CYS A 9 26.236 -2.367 4.014 1.00 0.00 O ATOM 53 CB CYS A 9 26.131 -0.859 1.033 1.00 0.00 C ATOM 54 SG CYS A 9 26.860 -0.077 -0.442 1.00 0.00 S ATOM 0 H CYS A 9 27.036 -3.215 1.290 1.00 0.00 H new ATOM 0 HA CYS A 9 27.971 -0.558 2.095 1.00 0.00 H new ATOM 0 HB2 CYS A 9 25.563 -1.736 0.723 1.00 0.00 H new ATOM 0 HB3 CYS A 9 25.424 -0.165 1.487 1.00 0.00 H new ATOM 59 N PRO A 10 26.283 -0.118 4.063 1.00 0.00 N ATOM 60 CA PRO A 10 25.670 -0.017 5.387 1.00 0.00 C ATOM 61 C PRO A 10 24.180 -0.326 5.343 1.00 0.00 C ATOM 62 O PRO A 10 23.587 -0.408 4.268 1.00 0.00 O ATOM 63 CB PRO A 10 25.911 1.436 5.779 1.00 0.00 C ATOM 64 CG PRO A 10 25.975 2.165 4.485 1.00 0.00 C ATOM 65 CD PRO A 10 26.576 1.209 3.488 1.00 0.00 C ATOM 0 HA PRO A 10 26.090 -0.730 6.096 1.00 0.00 H new ATOM 0 HB2 PRO A 10 25.107 1.816 6.409 1.00 0.00 H new ATOM 0 HB3 PRO A 10 26.837 1.547 6.343 1.00 0.00 H new ATOM 0 HG2 PRO A 10 24.981 2.483 4.169 1.00 0.00 H new ATOM 0 HG3 PRO A 10 26.583 3.065 4.576 1.00 0.00 H new ATOM 0 HD2 PRO A 10 26.130 1.326 2.500 1.00 0.00 H new ATOM 0 HD3 PRO A 10 27.648 1.369 3.374 1.00 0.00 H new ATOM 73 N SER A 11 23.578 -0.507 6.512 1.00 0.00 N ATOM 74 CA SER A 11 22.163 -0.822 6.586 1.00 0.00 C ATOM 75 C SER A 11 21.337 0.187 5.790 1.00 0.00 C ATOM 76 O SER A 11 21.205 1.343 6.191 1.00 0.00 O ATOM 77 CB SER A 11 21.696 -0.847 8.036 1.00 0.00 C ATOM 78 OG SER A 11 21.239 0.428 8.453 1.00 0.00 O ATOM 0 H SER A 11 24.047 -0.441 7.415 1.00 0.00 H new ATOM 0 HA SER A 11 22.016 -1.810 6.150 1.00 0.00 H new ATOM 0 HB2 SER A 11 20.895 -1.578 8.150 1.00 0.00 H new ATOM 0 HB3 SER A 11 22.515 -1.170 8.678 1.00 0.00 H new ATOM 0 HG SER A 11 21.605 1.117 7.859 1.00 0.00 H new ATOM 84 N PRO A 12 20.773 -0.236 4.647 1.00 0.00 N ATOM 85 CA PRO A 12 19.961 0.640 3.806 1.00 0.00 C ATOM 86 C PRO A 12 18.899 1.384 4.602 1.00 0.00 C ATOM 87 O PRO A 12 18.498 0.949 5.682 1.00 0.00 O ATOM 88 CB PRO A 12 19.294 -0.312 2.819 1.00 0.00 C ATOM 89 CG PRO A 12 20.164 -1.522 2.777 1.00 0.00 C ATOM 90 CD PRO A 12 20.877 -1.599 4.096 1.00 0.00 C ATOM 0 HA PRO A 12 20.569 1.411 3.332 1.00 0.00 H new ATOM 0 HB2 PRO A 12 18.284 -0.566 3.141 1.00 0.00 H new ATOM 0 HB3 PRO A 12 19.208 0.143 1.832 1.00 0.00 H new ATOM 0 HG2 PRO A 12 19.568 -2.419 2.608 1.00 0.00 H new ATOM 0 HG3 PRO A 12 20.878 -1.455 1.956 1.00 0.00 H new ATOM 0 HD2 PRO A 12 20.413 -2.331 4.757 1.00 0.00 H new ATOM 0 HD3 PRO A 12 21.917 -1.898 3.969 1.00 0.00 H new ATOM 98 N ARG A 13 18.431 2.498 4.052 1.00 0.00 N ATOM 99 CA ARG A 13 17.373 3.272 4.683 1.00 0.00 C ATOM 100 C ARG A 13 16.181 2.378 4.961 1.00 0.00 C ATOM 101 O ARG A 13 16.194 1.198 4.620 1.00 0.00 O ATOM 102 CB ARG A 13 16.958 4.437 3.785 1.00 0.00 C ATOM 103 CG ARG A 13 17.604 5.758 4.163 1.00 0.00 C ATOM 104 CD ARG A 13 16.677 6.926 3.879 1.00 0.00 C ATOM 105 NE ARG A 13 17.412 8.156 3.601 1.00 0.00 N ATOM 106 CZ ARG A 13 16.850 9.361 3.584 1.00 0.00 C ATOM 107 NH1 ARG A 13 15.553 9.493 3.829 1.00 0.00 N ATOM 108 NH2 ARG A 13 17.584 10.433 3.322 1.00 0.00 N ATOM 0 H ARG A 13 18.769 2.884 3.170 1.00 0.00 H new ATOM 0 HA ARG A 13 17.745 3.676 5.625 1.00 0.00 H new ATOM 0 HB2 ARG A 13 17.216 4.199 2.753 1.00 0.00 H new ATOM 0 HB3 ARG A 13 15.874 4.548 3.826 1.00 0.00 H new ATOM 0 HG2 ARG A 13 17.866 5.748 5.221 1.00 0.00 H new ATOM 0 HG3 ARG A 13 18.532 5.884 3.606 1.00 0.00 H new ATOM 0 HD2 ARG A 13 16.041 6.684 3.028 1.00 0.00 H new ATOM 0 HD3 ARG A 13 16.020 7.083 4.734 1.00 0.00 H new ATOM 0 HE ARG A 13 18.411 8.087 3.409 1.00 0.00 H new ATOM 0 HH11 ARG A 13 14.986 8.670 4.031 1.00 0.00 H new ATOM 0 HH12 ARG A 13 15.123 10.418 3.816 1.00 0.00 H new ATOM 0 HH21 ARG A 13 18.581 10.334 3.133 1.00 0.00 H new ATOM 0 HH22 ARG A 13 17.151 11.357 3.309 1.00 0.00 H new ATOM 122 N ASP A 14 15.158 2.931 5.586 1.00 0.00 N ATOM 123 CA ASP A 14 13.982 2.148 5.922 1.00 0.00 C ATOM 124 C ASP A 14 12.712 2.774 5.365 1.00 0.00 C ATOM 125 O ASP A 14 12.754 3.787 4.666 1.00 0.00 O ATOM 126 CB ASP A 14 13.871 1.998 7.436 1.00 0.00 C ATOM 127 CG ASP A 14 13.927 0.550 7.881 1.00 0.00 C ATOM 128 OD1 ASP A 14 12.875 0.013 8.288 1.00 0.00 O ATOM 129 OD2 ASP A 14 15.023 -0.046 7.825 1.00 0.00 O ATOM 0 H ASP A 14 15.116 3.910 5.869 1.00 0.00 H new ATOM 0 HA ASP A 14 14.095 1.164 5.466 1.00 0.00 H new ATOM 0 HB2 ASP A 14 14.679 2.553 7.913 1.00 0.00 H new ATOM 0 HB3 ASP A 14 12.935 2.443 7.774 1.00 0.00 H new ATOM 134 N ILE A 15 11.584 2.153 5.680 1.00 0.00 N ATOM 135 CA ILE A 15 10.286 2.624 5.211 1.00 0.00 C ATOM 136 C ILE A 15 9.235 2.512 6.316 1.00 0.00 C ATOM 137 O ILE A 15 9.348 1.672 7.209 1.00 0.00 O ATOM 138 CB ILE A 15 9.829 1.836 3.968 1.00 0.00 C ATOM 139 CG1 ILE A 15 8.459 2.319 3.493 1.00 0.00 C ATOM 140 CG2 ILE A 15 9.801 0.345 4.261 1.00 0.00 C ATOM 141 CD1 ILE A 15 8.256 2.166 2.001 1.00 0.00 C ATOM 0 H ILE A 15 11.541 1.316 6.262 1.00 0.00 H new ATOM 0 HA ILE A 15 10.394 3.673 4.936 1.00 0.00 H new ATOM 0 HB ILE A 15 10.547 2.015 3.168 1.00 0.00 H new ATOM 0 HG12 ILE A 15 7.683 1.762 4.018 1.00 0.00 H new ATOM 0 HG13 ILE A 15 8.337 3.368 3.764 1.00 0.00 H new ATOM 0 HG21 ILE A 15 9.476 -0.195 3.371 1.00 0.00 H new ATOM 0 HG22 ILE A 15 10.799 0.011 4.543 1.00 0.00 H new ATOM 0 HG23 ILE A 15 9.108 0.148 5.079 1.00 0.00 H new ATOM 0 HD11 ILE A 15 7.264 2.527 1.730 1.00 0.00 H new ATOM 0 HD12 ILE A 15 9.011 2.746 1.470 1.00 0.00 H new ATOM 0 HD13 ILE A 15 8.347 1.115 1.727 1.00 0.00 H new ATOM 153 N ASP A 16 8.230 3.384 6.267 1.00 0.00 N ATOM 154 CA ASP A 16 7.192 3.416 7.295 1.00 0.00 C ATOM 155 C ASP A 16 6.014 2.510 6.950 1.00 0.00 C ATOM 156 O ASP A 16 5.737 1.542 7.660 1.00 0.00 O ATOM 157 CB ASP A 16 6.699 4.851 7.495 1.00 0.00 C ATOM 158 CG ASP A 16 7.739 5.733 8.156 1.00 0.00 C ATOM 159 OD1 ASP A 16 8.939 5.394 8.081 1.00 0.00 O ATOM 160 OD2 ASP A 16 7.354 6.763 8.748 1.00 0.00 O ATOM 0 H ASP A 16 8.113 4.077 5.528 1.00 0.00 H new ATOM 0 HA ASP A 16 7.636 3.044 8.218 1.00 0.00 H new ATOM 0 HB2 ASP A 16 6.427 5.277 6.529 1.00 0.00 H new ATOM 0 HB3 ASP A 16 5.795 4.840 8.105 1.00 0.00 H new ATOM 165 N ASN A 17 5.308 2.836 5.871 1.00 0.00 N ATOM 166 CA ASN A 17 4.143 2.057 5.455 1.00 0.00 C ATOM 167 C ASN A 17 4.535 0.976 4.452 1.00 0.00 C ATOM 168 O ASN A 17 3.716 0.542 3.641 1.00 0.00 O ATOM 169 CB ASN A 17 3.064 2.970 4.852 1.00 0.00 C ATOM 170 CG ASN A 17 3.026 4.335 5.509 1.00 0.00 C ATOM 171 OD1 ASN A 17 2.210 4.590 6.395 1.00 0.00 O ATOM 172 ND2 ASN A 17 3.924 5.217 5.086 1.00 0.00 N ATOM 0 H ASN A 17 5.520 3.632 5.269 1.00 0.00 H new ATOM 0 HA ASN A 17 3.735 1.572 6.342 1.00 0.00 H new ATOM 0 HB2 ASN A 17 3.249 3.089 3.784 1.00 0.00 H new ATOM 0 HB3 ASN A 17 2.089 2.493 4.956 1.00 0.00 H new ATOM 0 HD21 ASN A 17 3.957 6.149 5.498 1.00 0.00 H new ATOM 0 HD22 ASN A 17 4.581 4.962 4.349 1.00 0.00 H new ATOM 179 N GLY A 18 5.785 0.531 4.526 1.00 0.00 N ATOM 180 CA GLY A 18 6.259 -0.500 3.624 1.00 0.00 C ATOM 181 C GLY A 18 7.235 -1.456 4.283 1.00 0.00 C ATOM 182 O GLY A 18 7.291 -1.555 5.509 1.00 0.00 O ATOM 0 H GLY A 18 6.478 0.867 5.195 1.00 0.00 H new ATOM 0 HA2 GLY A 18 5.407 -1.063 3.244 1.00 0.00 H new ATOM 0 HA3 GLY A 18 6.740 -0.032 2.765 1.00 0.00 H new ATOM 186 N GLN A 19 8.008 -2.156 3.460 1.00 0.00 N ATOM 187 CA GLN A 19 9.003 -3.106 3.950 1.00 0.00 C ATOM 188 C GLN A 19 10.092 -3.325 2.905 1.00 0.00 C ATOM 189 O GLN A 19 9.802 -3.514 1.724 1.00 0.00 O ATOM 190 CB GLN A 19 8.363 -4.437 4.336 1.00 0.00 C ATOM 191 CG GLN A 19 7.221 -4.807 3.433 1.00 0.00 C ATOM 192 CD GLN A 19 7.410 -6.152 2.760 1.00 0.00 C ATOM 193 OE1 GLN A 19 7.418 -6.249 1.533 1.00 0.00 O ATOM 194 NE2 GLN A 19 7.562 -7.199 3.562 1.00 0.00 N ATOM 0 H GLN A 19 7.965 -2.083 2.444 1.00 0.00 H new ATOM 0 HA GLN A 19 9.454 -2.680 4.846 1.00 0.00 H new ATOM 0 HB2 GLN A 19 9.118 -5.223 4.303 1.00 0.00 H new ATOM 0 HB3 GLN A 19 8.006 -4.381 5.364 1.00 0.00 H new ATOM 0 HG2 GLN A 19 6.298 -4.823 4.012 1.00 0.00 H new ATOM 0 HG3 GLN A 19 7.105 -4.038 2.669 1.00 0.00 H new ATOM 0 HE21 GLN A 19 7.549 -7.072 4.574 1.00 0.00 H new ATOM 0 HE22 GLN A 19 7.692 -8.130 3.166 1.00 0.00 H new ATOM 203 N LEU A 20 11.346 -3.284 3.342 1.00 0.00 N ATOM 204 CA LEU A 20 12.474 -3.443 2.439 1.00 0.00 C ATOM 205 C LEU A 20 12.617 -4.881 1.956 1.00 0.00 C ATOM 206 O LEU A 20 12.267 -5.827 2.660 1.00 0.00 O ATOM 207 CB LEU A 20 13.759 -3.010 3.133 1.00 0.00 C ATOM 208 CG LEU A 20 14.036 -1.511 3.088 1.00 0.00 C ATOM 209 CD1 LEU A 20 15.258 -1.182 3.918 1.00 0.00 C ATOM 210 CD2 LEU A 20 12.828 -0.727 3.580 1.00 0.00 C ATOM 0 H LEU A 20 11.605 -3.142 4.318 1.00 0.00 H new ATOM 0 HA LEU A 20 12.289 -2.813 1.569 1.00 0.00 H new ATOM 0 HB2 LEU A 20 13.717 -3.326 4.175 1.00 0.00 H new ATOM 0 HB3 LEU A 20 14.597 -3.534 2.674 1.00 0.00 H new ATOM 0 HG LEU A 20 14.229 -1.224 2.054 1.00 0.00 H new ATOM 0 HD11 LEU A 20 15.446 -0.109 3.879 1.00 0.00 H new ATOM 0 HD12 LEU A 20 15.088 -1.483 4.952 1.00 0.00 H new ATOM 0 HD13 LEU A 20 16.121 -1.717 3.522 1.00 0.00 H new ATOM 0 HD21 LEU A 20 13.046 0.340 3.540 1.00 0.00 H new ATOM 0 HD22 LEU A 20 11.969 -0.946 2.946 1.00 0.00 H new ATOM 0 HD23 LEU A 20 12.602 -1.013 4.607 1.00 0.00 H new ATOM 222 N ASP A 21 13.157 -5.027 0.752 1.00 0.00 N ATOM 223 CA ASP A 21 13.412 -6.338 0.172 1.00 0.00 C ATOM 224 C ASP A 21 14.888 -6.451 -0.185 1.00 0.00 C ATOM 225 O ASP A 21 15.261 -6.419 -1.358 1.00 0.00 O ATOM 226 CB ASP A 21 12.549 -6.553 -1.072 1.00 0.00 C ATOM 227 CG ASP A 21 12.109 -7.995 -1.228 1.00 0.00 C ATOM 228 OD1 ASP A 21 12.191 -8.751 -0.237 1.00 0.00 O ATOM 229 OD2 ASP A 21 11.684 -8.369 -2.341 1.00 0.00 O ATOM 0 H ASP A 21 13.428 -4.246 0.155 1.00 0.00 H new ATOM 0 HA ASP A 21 13.154 -7.107 0.900 1.00 0.00 H new ATOM 0 HB2 ASP A 21 11.669 -5.912 -1.016 1.00 0.00 H new ATOM 0 HB3 ASP A 21 13.109 -6.249 -1.956 1.00 0.00 H new ATOM 234 N ILE A 22 15.725 -6.517 0.844 1.00 0.00 N ATOM 235 CA ILE A 22 17.171 -6.552 0.660 1.00 0.00 C ATOM 236 C ILE A 22 17.665 -7.939 0.275 1.00 0.00 C ATOM 237 O ILE A 22 17.841 -8.809 1.128 1.00 0.00 O ATOM 238 CB ILE A 22 17.923 -6.091 1.929 1.00 0.00 C ATOM 239 CG1 ILE A 22 17.092 -5.065 2.718 1.00 0.00 C ATOM 240 CG2 ILE A 22 19.279 -5.513 1.551 1.00 0.00 C ATOM 241 CD1 ILE A 22 17.875 -4.310 3.773 1.00 0.00 C ATOM 0 H ILE A 22 15.425 -6.547 1.818 1.00 0.00 H new ATOM 0 HA ILE A 22 17.383 -5.860 -0.155 1.00 0.00 H new ATOM 0 HB ILE A 22 18.080 -6.957 2.573 1.00 0.00 H new ATOM 0 HG12 ILE A 22 16.662 -4.348 2.019 1.00 0.00 H new ATOM 0 HG13 ILE A 22 16.260 -5.580 3.198 1.00 0.00 H new ATOM 0 HG21 ILE A 22 19.801 -5.191 2.452 1.00 0.00 H new ATOM 0 HG22 ILE A 22 19.870 -6.274 1.042 1.00 0.00 H new ATOM 0 HG23 ILE A 22 19.139 -4.659 0.888 1.00 0.00 H new ATOM 0 HD11 ILE A 22 17.215 -3.607 4.282 1.00 0.00 H new ATOM 0 HD12 ILE A 22 18.283 -5.015 4.497 1.00 0.00 H new ATOM 0 HD13 ILE A 22 18.691 -3.764 3.299 1.00 0.00 H new ATOM 253 N GLY A 23 17.924 -8.124 -1.014 1.00 0.00 N ATOM 254 CA GLY A 23 18.467 -9.380 -1.489 1.00 0.00 C ATOM 255 C GLY A 23 19.968 -9.296 -1.697 1.00 0.00 C ATOM 256 O GLY A 23 20.551 -10.106 -2.418 1.00 0.00 O ATOM 0 H GLY A 23 17.767 -7.424 -1.739 1.00 0.00 H new ATOM 0 HA2 GLY A 23 18.242 -10.169 -0.771 1.00 0.00 H new ATOM 0 HA3 GLY A 23 17.984 -9.655 -2.427 1.00 0.00 H new ATOM 260 N GLY A 24 20.592 -8.301 -1.067 1.00 0.00 N ATOM 261 CA GLY A 24 22.024 -8.109 -1.199 1.00 0.00 C ATOM 262 C GLY A 24 22.452 -6.726 -0.750 1.00 0.00 C ATOM 263 O GLY A 24 21.749 -5.745 -0.993 1.00 0.00 O ATOM 0 H GLY A 24 20.126 -7.622 -0.465 1.00 0.00 H new ATOM 0 HA2 GLY A 24 22.547 -8.861 -0.608 1.00 0.00 H new ATOM 0 HA3 GLY A 24 22.316 -8.260 -2.238 1.00 0.00 H new ATOM 267 N VAL A 25 23.596 -6.644 -0.080 1.00 0.00 N ATOM 268 CA VAL A 25 24.093 -5.367 0.421 1.00 0.00 C ATOM 269 C VAL A 25 25.529 -5.089 -0.025 1.00 0.00 C ATOM 270 O VAL A 25 26.069 -4.017 0.250 1.00 0.00 O ATOM 271 CB VAL A 25 24.027 -5.303 1.959 1.00 0.00 C ATOM 272 CG1 VAL A 25 22.591 -5.117 2.425 1.00 0.00 C ATOM 273 CG2 VAL A 25 24.639 -6.552 2.575 1.00 0.00 C ATOM 0 H VAL A 25 24.195 -7.443 0.128 1.00 0.00 H new ATOM 0 HA VAL A 25 23.442 -4.603 -0.004 1.00 0.00 H new ATOM 0 HB VAL A 25 24.607 -4.442 2.293 1.00 0.00 H new ATOM 0 HG11 VAL A 25 22.564 -5.074 3.514 1.00 0.00 H new ATOM 0 HG12 VAL A 25 22.193 -4.189 2.015 1.00 0.00 H new ATOM 0 HG13 VAL A 25 21.985 -5.955 2.080 1.00 0.00 H new ATOM 0 HG21 VAL A 25 24.582 -6.487 3.662 1.00 0.00 H new ATOM 0 HG22 VAL A 25 24.091 -7.431 2.235 1.00 0.00 H new ATOM 0 HG23 VAL A 25 25.682 -6.634 2.270 1.00 0.00 H new ATOM 283 N ASP A 26 26.147 -6.043 -0.718 1.00 0.00 N ATOM 284 CA ASP A 26 27.518 -5.865 -1.188 1.00 0.00 C ATOM 285 C ASP A 26 27.576 -4.818 -2.292 1.00 0.00 C ATOM 286 O ASP A 26 26.578 -4.552 -2.961 1.00 0.00 O ATOM 287 CB ASP A 26 28.096 -7.188 -1.692 1.00 0.00 C ATOM 288 CG ASP A 26 27.110 -7.976 -2.532 1.00 0.00 C ATOM 289 OD1 ASP A 26 26.230 -8.642 -1.947 1.00 0.00 O ATOM 290 OD2 ASP A 26 27.219 -7.930 -3.776 1.00 0.00 O ATOM 0 H ASP A 26 25.725 -6.938 -0.964 1.00 0.00 H new ATOM 0 HA ASP A 26 28.119 -5.521 -0.346 1.00 0.00 H new ATOM 0 HB2 ASP A 26 28.990 -6.988 -2.282 1.00 0.00 H new ATOM 0 HB3 ASP A 26 28.405 -7.793 -0.839 1.00 0.00 H new ATOM 295 N PHE A 27 28.748 -4.216 -2.471 1.00 0.00 N ATOM 296 CA PHE A 27 28.926 -3.184 -3.486 1.00 0.00 C ATOM 297 C PHE A 27 28.381 -3.642 -4.832 1.00 0.00 C ATOM 298 O PHE A 27 28.860 -4.616 -5.412 1.00 0.00 O ATOM 299 CB PHE A 27 30.399 -2.802 -3.615 1.00 0.00 C ATOM 300 CG PHE A 27 30.639 -1.331 -3.440 1.00 0.00 C ATOM 301 CD1 PHE A 27 31.389 -0.859 -2.376 1.00 0.00 C ATOM 302 CD2 PHE A 27 30.091 -0.419 -4.327 1.00 0.00 C ATOM 303 CE1 PHE A 27 31.602 0.495 -2.208 1.00 0.00 C ATOM 304 CE2 PHE A 27 30.300 0.937 -4.165 1.00 0.00 C ATOM 305 CZ PHE A 27 31.057 1.394 -3.104 1.00 0.00 C ATOM 0 H PHE A 27 29.586 -4.424 -1.928 1.00 0.00 H new ATOM 0 HA PHE A 27 28.364 -2.305 -3.170 1.00 0.00 H new ATOM 0 HB2 PHE A 27 30.978 -3.350 -2.872 1.00 0.00 H new ATOM 0 HB3 PHE A 27 30.765 -3.111 -4.594 1.00 0.00 H new ATOM 0 HD1 PHE A 27 31.812 -1.558 -1.670 1.00 0.00 H new ATOM 0 HD2 PHE A 27 29.494 -0.772 -5.155 1.00 0.00 H new ATOM 0 HE1 PHE A 27 32.194 0.850 -1.377 1.00 0.00 H new ATOM 0 HE2 PHE A 27 29.872 1.638 -4.866 1.00 0.00 H new ATOM 0 HZ PHE A 27 31.223 2.453 -2.975 1.00 0.00 H new ATOM 315 N GLY A 28 27.364 -2.939 -5.314 1.00 0.00 N ATOM 316 CA GLY A 28 26.745 -3.296 -6.573 1.00 0.00 C ATOM 317 C GLY A 28 25.407 -3.989 -6.389 1.00 0.00 C ATOM 318 O GLY A 28 24.699 -4.246 -7.363 1.00 0.00 O ATOM 0 H GLY A 28 26.957 -2.126 -4.853 1.00 0.00 H new ATOM 0 HA2 GLY A 28 26.605 -2.397 -7.173 1.00 0.00 H new ATOM 0 HA3 GLY A 28 27.415 -3.950 -7.131 1.00 0.00 H new ATOM 322 N SER A 29 25.053 -4.295 -5.140 1.00 0.00 N ATOM 323 CA SER A 29 23.786 -4.956 -4.850 1.00 0.00 C ATOM 324 C SER A 29 22.612 -4.036 -5.165 1.00 0.00 C ATOM 325 O SER A 29 22.795 -2.943 -5.701 1.00 0.00 O ATOM 326 CB SER A 29 23.734 -5.386 -3.382 1.00 0.00 C ATOM 327 OG SER A 29 24.219 -6.707 -3.220 1.00 0.00 O ATOM 0 H SER A 29 25.624 -4.096 -4.319 1.00 0.00 H new ATOM 0 HA SER A 29 23.712 -5.841 -5.482 1.00 0.00 H new ATOM 0 HB2 SER A 29 24.328 -4.700 -2.778 1.00 0.00 H new ATOM 0 HB3 SER A 29 22.708 -5.325 -3.018 1.00 0.00 H new ATOM 0 HG SER A 29 23.668 -7.324 -3.745 1.00 0.00 H new ATOM 333 N SER A 30 21.406 -4.484 -4.831 1.00 0.00 N ATOM 334 CA SER A 30 20.205 -3.697 -5.081 1.00 0.00 C ATOM 335 C SER A 30 19.053 -4.163 -4.196 1.00 0.00 C ATOM 336 O SER A 30 18.858 -5.362 -3.997 1.00 0.00 O ATOM 337 CB SER A 30 19.802 -3.796 -6.554 1.00 0.00 C ATOM 338 OG SER A 30 20.250 -5.013 -7.125 1.00 0.00 O ATOM 0 H SER A 30 21.235 -5.386 -4.387 1.00 0.00 H new ATOM 0 HA SER A 30 20.427 -2.657 -4.840 1.00 0.00 H new ATOM 0 HB2 SER A 30 18.718 -3.726 -6.643 1.00 0.00 H new ATOM 0 HB3 SER A 30 20.222 -2.955 -7.106 1.00 0.00 H new ATOM 0 HG SER A 30 19.978 -5.052 -8.066 1.00 0.00 H new ATOM 344 N ILE A 31 18.290 -3.210 -3.669 1.00 0.00 N ATOM 345 CA ILE A 31 17.152 -3.530 -2.810 1.00 0.00 C ATOM 346 C ILE A 31 15.838 -3.261 -3.529 1.00 0.00 C ATOM 347 O ILE A 31 15.809 -2.602 -4.568 1.00 0.00 O ATOM 348 CB ILE A 31 17.148 -2.723 -1.491 1.00 0.00 C ATOM 349 CG1 ILE A 31 18.531 -2.173 -1.157 1.00 0.00 C ATOM 350 CG2 ILE A 31 16.654 -3.588 -0.349 1.00 0.00 C ATOM 351 CD1 ILE A 31 18.578 -1.441 0.163 1.00 0.00 C ATOM 0 H ILE A 31 18.438 -2.212 -3.820 1.00 0.00 H new ATOM 0 HA ILE A 31 17.253 -4.589 -2.571 1.00 0.00 H new ATOM 0 HB ILE A 31 16.474 -1.877 -1.629 1.00 0.00 H new ATOM 0 HG12 ILE A 31 19.246 -2.995 -1.135 1.00 0.00 H new ATOM 0 HG13 ILE A 31 18.847 -1.497 -1.951 1.00 0.00 H new ATOM 0 HG21 ILE A 31 16.656 -3.008 0.574 1.00 0.00 H new ATOM 0 HG22 ILE A 31 15.640 -3.928 -0.562 1.00 0.00 H new ATOM 0 HG23 ILE A 31 17.310 -4.451 -0.236 1.00 0.00 H new ATOM 0 HD11 ILE A 31 19.589 -1.075 0.340 1.00 0.00 H new ATOM 0 HD12 ILE A 31 17.887 -0.599 0.137 1.00 0.00 H new ATOM 0 HD13 ILE A 31 18.292 -2.120 0.966 1.00 0.00 H new ATOM 363 N THR A 32 14.747 -3.749 -2.951 1.00 0.00 N ATOM 364 CA THR A 32 13.425 -3.535 -3.520 1.00 0.00 C ATOM 365 C THR A 32 12.445 -3.085 -2.448 1.00 0.00 C ATOM 366 O THR A 32 12.083 -3.853 -1.557 1.00 0.00 O ATOM 367 CB THR A 32 12.918 -4.809 -4.198 1.00 0.00 C ATOM 368 OG1 THR A 32 14.002 -5.610 -4.633 1.00 0.00 O ATOM 369 CG2 THR A 32 12.035 -4.538 -5.396 1.00 0.00 C ATOM 0 H THR A 32 14.753 -4.295 -2.089 1.00 0.00 H new ATOM 0 HA THR A 32 13.503 -2.748 -4.271 1.00 0.00 H new ATOM 0 HB THR A 32 12.326 -5.324 -3.441 1.00 0.00 H new ATOM 0 HG1 THR A 32 13.658 -6.421 -5.062 1.00 0.00 H new ATOM 0 HG21 THR A 32 11.710 -5.484 -5.830 1.00 0.00 H new ATOM 0 HG22 THR A 32 11.163 -3.964 -5.083 1.00 0.00 H new ATOM 0 HG23 THR A 32 12.595 -3.971 -6.140 1.00 0.00 H new ATOM 377 N TYR A 33 12.029 -1.827 -2.537 1.00 0.00 N ATOM 378 CA TYR A 33 11.103 -1.260 -1.569 1.00 0.00 C ATOM 379 C TYR A 33 9.664 -1.617 -1.911 1.00 0.00 C ATOM 380 O TYR A 33 9.236 -1.501 -3.059 1.00 0.00 O ATOM 381 CB TYR A 33 11.278 0.256 -1.505 1.00 0.00 C ATOM 382 CG TYR A 33 12.375 0.678 -0.562 1.00 0.00 C ATOM 383 CD1 TYR A 33 13.705 0.667 -0.963 1.00 0.00 C ATOM 384 CD2 TYR A 33 12.083 1.049 0.742 1.00 0.00 C ATOM 385 CE1 TYR A 33 14.713 1.038 -0.092 1.00 0.00 C ATOM 386 CE2 TYR A 33 13.083 1.422 1.618 1.00 0.00 C ATOM 387 CZ TYR A 33 14.397 1.412 1.198 1.00 0.00 C ATOM 388 OH TYR A 33 15.396 1.787 2.066 1.00 0.00 O ATOM 0 H TYR A 33 12.320 -1.181 -3.271 1.00 0.00 H new ATOM 0 HA TYR A 33 11.327 -1.685 -0.591 1.00 0.00 H new ATOM 0 HB2 TYR A 33 11.498 0.634 -2.503 1.00 0.00 H new ATOM 0 HB3 TYR A 33 10.339 0.713 -1.191 1.00 0.00 H new ATOM 0 HD1 TYR A 33 13.955 0.364 -1.969 1.00 0.00 H new ATOM 0 HD2 TYR A 33 11.057 1.046 1.078 1.00 0.00 H new ATOM 0 HE1 TYR A 33 15.742 1.035 -0.420 1.00 0.00 H new ATOM 0 HE2 TYR A 33 12.838 1.720 2.627 1.00 0.00 H new ATOM 0 HH TYR A 33 15.871 2.563 1.702 1.00 0.00 H new ATOM 398 N SER A 34 8.932 -2.077 -0.905 1.00 0.00 N ATOM 399 CA SER A 34 7.540 -2.461 -1.082 1.00 0.00 C ATOM 400 C SER A 34 6.692 -1.932 0.067 1.00 0.00 C ATOM 401 O SER A 34 7.213 -1.602 1.132 1.00 0.00 O ATOM 402 CB SER A 34 7.415 -3.984 -1.165 1.00 0.00 C ATOM 403 OG SER A 34 7.186 -4.406 -2.499 1.00 0.00 O ATOM 0 H SER A 34 9.282 -2.193 0.046 1.00 0.00 H new ATOM 0 HA SER A 34 7.179 -2.026 -2.014 1.00 0.00 H new ATOM 0 HB2 SER A 34 8.325 -4.448 -0.785 1.00 0.00 H new ATOM 0 HB3 SER A 34 6.596 -4.320 -0.529 1.00 0.00 H new ATOM 0 HG SER A 34 7.112 -5.383 -2.525 1.00 0.00 H new ATOM 409 N CYS A 35 5.388 -1.843 -0.154 1.00 0.00 N ATOM 410 CA CYS A 35 4.479 -1.353 0.866 1.00 0.00 C ATOM 411 C CYS A 35 4.072 -2.480 1.809 1.00 0.00 C ATOM 412 O CYS A 35 4.470 -3.629 1.621 1.00 0.00 O ATOM 413 CB CYS A 35 3.251 -0.735 0.206 1.00 0.00 C ATOM 414 SG CYS A 35 3.558 0.904 -0.528 1.00 0.00 S ATOM 0 H CYS A 35 4.938 -2.104 -1.031 1.00 0.00 H new ATOM 0 HA CYS A 35 4.987 -0.589 1.455 1.00 0.00 H new ATOM 0 HB2 CYS A 35 2.890 -1.409 -0.571 1.00 0.00 H new ATOM 0 HB3 CYS A 35 2.457 -0.648 0.947 1.00 0.00 H new ATOM 419 N ASN A 36 3.301 -2.145 2.839 1.00 0.00 N ATOM 420 CA ASN A 36 2.864 -3.139 3.811 1.00 0.00 C ATOM 421 C ASN A 36 1.608 -3.852 3.327 1.00 0.00 C ATOM 422 O ASN A 36 1.679 -4.940 2.755 1.00 0.00 O ATOM 423 CB ASN A 36 2.603 -2.479 5.166 1.00 0.00 C ATOM 424 CG ASN A 36 3.852 -2.398 6.021 1.00 0.00 C ATOM 425 OD1 ASN A 36 4.507 -3.408 6.281 1.00 0.00 O ATOM 426 ND2 ASN A 36 4.189 -1.192 6.464 1.00 0.00 N ATOM 0 H ASN A 36 2.968 -1.198 3.021 1.00 0.00 H new ATOM 0 HA ASN A 36 3.659 -3.877 3.924 1.00 0.00 H new ATOM 0 HB2 ASN A 36 2.209 -1.475 5.008 1.00 0.00 H new ATOM 0 HB3 ASN A 36 1.837 -3.042 5.699 1.00 0.00 H new ATOM 0 HD21 ASN A 36 5.020 -1.076 7.044 1.00 0.00 H new ATOM 0 HD22 ASN A 36 3.617 -0.382 6.224 1.00 0.00 H new ATOM 433 N SER A 37 0.459 -3.230 3.559 1.00 0.00 N ATOM 434 CA SER A 37 -0.815 -3.791 3.136 1.00 0.00 C ATOM 435 C SER A 37 -1.838 -2.686 2.935 1.00 0.00 C ATOM 436 O SER A 37 -2.019 -1.828 3.799 1.00 0.00 O ATOM 437 CB SER A 37 -1.324 -4.801 4.167 1.00 0.00 C ATOM 438 OG SER A 37 -1.338 -6.113 3.633 1.00 0.00 O ATOM 0 H SER A 37 0.385 -2.333 4.040 1.00 0.00 H new ATOM 0 HA SER A 37 -0.666 -4.307 2.188 1.00 0.00 H new ATOM 0 HB2 SER A 37 -0.689 -4.772 5.053 1.00 0.00 H new ATOM 0 HB3 SER A 37 -2.329 -4.524 4.486 1.00 0.00 H new ATOM 0 HG SER A 37 -1.665 -6.739 4.312 1.00 0.00 H new ATOM 444 N GLY A 38 -2.490 -2.698 1.781 1.00 0.00 N ATOM 445 CA GLY A 38 -3.451 -1.663 1.472 1.00 0.00 C ATOM 446 C GLY A 38 -2.770 -0.358 1.118 1.00 0.00 C ATOM 447 O GLY A 38 -3.312 0.721 1.348 1.00 0.00 O ATOM 0 H GLY A 38 -2.370 -3.405 1.056 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -4.078 -1.984 0.640 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -4.110 -1.510 2.327 1.00 0.00 H new ATOM 451 N TYR A 39 -1.565 -0.455 0.573 1.00 0.00 N ATOM 452 CA TYR A 39 -0.806 0.727 0.194 1.00 0.00 C ATOM 453 C TYR A 39 -0.205 0.572 -1.194 1.00 0.00 C ATOM 454 O TYR A 39 0.024 -0.542 -1.665 1.00 0.00 O ATOM 455 CB TYR A 39 0.338 0.964 1.182 1.00 0.00 C ATOM 456 CG TYR A 39 -0.048 1.701 2.445 1.00 0.00 C ATOM 457 CD1 TYR A 39 -0.648 1.032 3.502 1.00 0.00 C ATOM 458 CD2 TYR A 39 0.249 3.050 2.607 1.00 0.00 C ATOM 459 CE1 TYR A 39 -0.976 1.691 4.671 1.00 0.00 C ATOM 460 CE2 TYR A 39 -0.072 3.715 3.773 1.00 0.00 C ATOM 461 CZ TYR A 39 -0.687 3.033 4.801 1.00 0.00 C ATOM 462 OH TYR A 39 -1.013 3.694 5.964 1.00 0.00 O ATOM 0 H TYR A 39 -1.093 -1.339 0.384 1.00 0.00 H new ATOM 0 HA TYR A 39 -1.496 1.571 0.201 1.00 0.00 H new ATOM 0 HB2 TYR A 39 0.764 -0.000 1.458 1.00 0.00 H new ATOM 0 HB3 TYR A 39 1.123 1.527 0.677 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -0.862 -0.022 3.409 1.00 0.00 H new ATOM 0 HD2 TYR A 39 0.739 3.586 1.807 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -1.456 1.158 5.478 1.00 0.00 H new ATOM 0 HE2 TYR A 39 0.158 4.765 3.880 1.00 0.00 H new ATOM 0 HH TYR A 39 -0.741 4.633 5.894 1.00 0.00 H new ATOM 472 N HIS A 40 0.100 1.699 -1.820 1.00 0.00 N ATOM 473 CA HIS A 40 0.803 1.699 -3.089 1.00 0.00 C ATOM 474 C HIS A 40 2.156 2.352 -2.885 1.00 0.00 C ATOM 475 O HIS A 40 2.254 3.364 -2.197 1.00 0.00 O ATOM 476 CB HIS A 40 0.028 2.447 -4.171 1.00 0.00 C ATOM 477 CG HIS A 40 -1.457 2.375 -4.032 1.00 0.00 C ATOM 478 ND1 HIS A 40 -2.208 1.314 -4.495 1.00 0.00 N ATOM 479 CD2 HIS A 40 -2.338 3.262 -3.517 1.00 0.00 C ATOM 480 CE1 HIS A 40 -3.486 1.543 -4.252 1.00 0.00 C ATOM 481 NE2 HIS A 40 -3.591 2.718 -3.659 1.00 0.00 N ATOM 0 H HIS A 40 -0.131 2.627 -1.466 1.00 0.00 H new ATOM 0 HA HIS A 40 0.915 0.668 -3.426 1.00 0.00 H new ATOM 0 HB2 HIS A 40 0.331 3.494 -4.159 1.00 0.00 H new ATOM 0 HB3 HIS A 40 0.309 2.045 -5.145 1.00 0.00 H new ATOM 0 HD1 HIS A 40 -1.835 0.483 -4.953 1.00 0.00 H new ATOM 0 HD2 HIS A 40 -2.101 4.219 -3.076 1.00 0.00 H new ATOM 0 HE1 HIS A 40 -4.305 0.882 -4.496 1.00 0.00 H new ATOM 490 N LEU A 41 3.206 1.743 -3.407 1.00 0.00 N ATOM 491 CA LEU A 41 4.533 2.303 -3.246 1.00 0.00 C ATOM 492 C LEU A 41 4.763 3.396 -4.271 1.00 0.00 C ATOM 493 O LEU A 41 4.890 3.129 -5.466 1.00 0.00 O ATOM 494 CB LEU A 41 5.607 1.228 -3.369 1.00 0.00 C ATOM 495 CG LEU A 41 7.035 1.757 -3.259 1.00 0.00 C ATOM 496 CD1 LEU A 41 7.904 0.807 -2.453 1.00 0.00 C ATOM 497 CD2 LEU A 41 7.620 1.977 -4.639 1.00 0.00 C ATOM 0 H LEU A 41 3.166 0.873 -3.938 1.00 0.00 H new ATOM 0 HA LEU A 41 4.602 2.730 -2.246 1.00 0.00 H new ATOM 0 HB2 LEU A 41 5.447 0.480 -2.593 1.00 0.00 H new ATOM 0 HB3 LEU A 41 5.491 0.722 -4.328 1.00 0.00 H new ATOM 0 HG LEU A 41 7.008 2.713 -2.736 1.00 0.00 H new ATOM 0 HD11 LEU A 41 8.916 1.206 -2.389 1.00 0.00 H new ATOM 0 HD12 LEU A 41 7.492 0.700 -1.450 1.00 0.00 H new ATOM 0 HD13 LEU A 41 7.928 -0.167 -2.941 1.00 0.00 H new ATOM 0 HD21 LEU A 41 8.638 2.354 -4.547 1.00 0.00 H new ATOM 0 HD22 LEU A 41 7.631 1.033 -5.184 1.00 0.00 H new ATOM 0 HD23 LEU A 41 7.012 2.702 -5.180 1.00 0.00 H new ATOM 509 N ILE A 42 4.770 4.632 -3.800 1.00 0.00 N ATOM 510 CA ILE A 42 4.942 5.773 -4.682 1.00 0.00 C ATOM 511 C ILE A 42 6.408 6.167 -4.783 1.00 0.00 C ATOM 512 O ILE A 42 7.173 6.020 -3.830 1.00 0.00 O ATOM 513 CB ILE A 42 4.108 6.992 -4.235 1.00 0.00 C ATOM 514 CG1 ILE A 42 2.873 6.559 -3.443 1.00 0.00 C ATOM 515 CG2 ILE A 42 3.670 7.777 -5.453 1.00 0.00 C ATOM 516 CD1 ILE A 42 1.936 5.689 -4.250 1.00 0.00 C ATOM 0 H ILE A 42 4.659 4.870 -2.814 1.00 0.00 H new ATOM 0 HA ILE A 42 4.582 5.462 -5.663 1.00 0.00 H new ATOM 0 HB ILE A 42 4.730 7.612 -3.590 1.00 0.00 H new ATOM 0 HG12 ILE A 42 3.190 6.016 -2.553 1.00 0.00 H new ATOM 0 HG13 ILE A 42 2.337 7.444 -3.102 1.00 0.00 H new ATOM 0 HG21 ILE A 42 3.081 8.638 -5.138 1.00 0.00 H new ATOM 0 HG22 ILE A 42 4.548 8.119 -6.001 1.00 0.00 H new ATOM 0 HG23 ILE A 42 3.065 7.140 -6.098 1.00 0.00 H new ATOM 0 HD11 ILE A 42 1.078 5.412 -3.637 1.00 0.00 H new ATOM 0 HD12 ILE A 42 1.594 6.239 -5.127 1.00 0.00 H new ATOM 0 HD13 ILE A 42 2.460 4.788 -4.569 1.00 0.00 H new ATOM 528 N GLY A 43 6.794 6.639 -5.959 1.00 0.00 N ATOM 529 CA GLY A 43 8.176 7.018 -6.192 1.00 0.00 C ATOM 530 C GLY A 43 9.052 5.816 -6.497 1.00 0.00 C ATOM 531 O GLY A 43 8.570 4.809 -7.016 1.00 0.00 O ATOM 0 H GLY A 43 6.175 6.767 -6.759 1.00 0.00 H new ATOM 0 HA2 GLY A 43 8.224 7.722 -7.023 1.00 0.00 H new ATOM 0 HA3 GLY A 43 8.563 7.535 -5.314 1.00 0.00 H new ATOM 535 N GLU A 44 10.337 5.914 -6.169 1.00 0.00 N ATOM 536 CA GLU A 44 11.266 4.812 -6.402 1.00 0.00 C ATOM 537 C GLU A 44 10.734 3.527 -5.777 1.00 0.00 C ATOM 538 O GLU A 44 9.727 3.548 -5.073 1.00 0.00 O ATOM 539 CB GLU A 44 12.649 5.139 -5.830 1.00 0.00 C ATOM 540 CG GLU A 44 12.605 5.974 -4.561 1.00 0.00 C ATOM 541 CD GLU A 44 12.798 7.454 -4.828 1.00 0.00 C ATOM 542 OE1 GLU A 44 13.843 7.821 -5.406 1.00 0.00 O ATOM 543 OE2 GLU A 44 11.905 8.245 -4.459 1.00 0.00 O ATOM 0 H GLU A 44 10.757 6.740 -5.743 1.00 0.00 H new ATOM 0 HA GLU A 44 11.360 4.669 -7.478 1.00 0.00 H new ATOM 0 HB2 GLU A 44 13.176 4.208 -5.623 1.00 0.00 H new ATOM 0 HB3 GLU A 44 13.228 5.672 -6.585 1.00 0.00 H new ATOM 0 HG2 GLU A 44 11.648 5.821 -4.063 1.00 0.00 H new ATOM 0 HG3 GLU A 44 13.380 5.628 -3.876 1.00 0.00 H new ATOM 550 N SER A 45 11.415 2.412 -6.034 1.00 0.00 N ATOM 551 CA SER A 45 10.991 1.120 -5.522 1.00 0.00 C ATOM 552 C SER A 45 12.166 0.166 -5.373 1.00 0.00 C ATOM 553 O SER A 45 11.996 -1.053 -5.391 1.00 0.00 O ATOM 554 CB SER A 45 9.980 0.510 -6.479 1.00 0.00 C ATOM 555 OG SER A 45 10.412 0.633 -7.824 1.00 0.00 O ATOM 0 H SER A 45 12.265 2.382 -6.596 1.00 0.00 H new ATOM 0 HA SER A 45 10.547 1.275 -4.539 1.00 0.00 H new ATOM 0 HB2 SER A 45 9.833 -0.542 -6.236 1.00 0.00 H new ATOM 0 HB3 SER A 45 9.016 1.003 -6.357 1.00 0.00 H new ATOM 0 HG SER A 45 9.745 0.232 -8.420 1.00 0.00 H new ATOM 561 N LYS A 46 13.355 0.724 -5.232 1.00 0.00 N ATOM 562 CA LYS A 46 14.561 -0.079 -5.116 1.00 0.00 C ATOM 563 C LYS A 46 15.675 0.706 -4.431 1.00 0.00 C ATOM 564 O LYS A 46 15.448 1.799 -3.912 1.00 0.00 O ATOM 565 CB LYS A 46 15.011 -0.520 -6.508 1.00 0.00 C ATOM 566 CG LYS A 46 14.493 -1.886 -6.916 1.00 0.00 C ATOM 567 CD LYS A 46 15.587 -2.728 -7.547 1.00 0.00 C ATOM 568 CE LYS A 46 15.372 -4.203 -7.276 1.00 0.00 C ATOM 569 NZ LYS A 46 14.773 -4.903 -8.446 1.00 0.00 N ATOM 0 H LYS A 46 13.512 1.731 -5.195 1.00 0.00 H new ATOM 0 HA LYS A 46 14.341 -0.955 -4.506 1.00 0.00 H new ATOM 0 HB2 LYS A 46 14.677 0.217 -7.238 1.00 0.00 H new ATOM 0 HB3 LYS A 46 16.100 -0.530 -6.541 1.00 0.00 H new ATOM 0 HG2 LYS A 46 14.094 -2.401 -6.042 1.00 0.00 H new ATOM 0 HG3 LYS A 46 13.670 -1.769 -7.621 1.00 0.00 H new ATOM 0 HD2 LYS A 46 15.609 -2.553 -8.623 1.00 0.00 H new ATOM 0 HD3 LYS A 46 16.557 -2.422 -7.155 1.00 0.00 H new ATOM 0 HE2 LYS A 46 16.325 -4.668 -7.024 1.00 0.00 H new ATOM 0 HE3 LYS A 46 14.721 -4.321 -6.410 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 14.642 -5.909 -8.219 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 13.852 -4.477 -8.671 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 15.406 -4.813 -9.266 1.00 0.00 H new ATOM 583 N SER A 47 16.878 0.143 -4.437 1.00 0.00 N ATOM 584 CA SER A 47 18.030 0.798 -3.832 1.00 0.00 C ATOM 585 C SER A 47 19.325 0.143 -4.296 1.00 0.00 C ATOM 586 O SER A 47 19.727 -0.899 -3.784 1.00 0.00 O ATOM 587 CB SER A 47 17.931 0.749 -2.306 1.00 0.00 C ATOM 588 OG SER A 47 17.249 1.886 -1.803 1.00 0.00 O ATOM 0 H SER A 47 17.080 -0.766 -4.854 1.00 0.00 H new ATOM 0 HA SER A 47 18.036 1.841 -4.149 1.00 0.00 H new ATOM 0 HB2 SER A 47 17.408 -0.157 -2.001 1.00 0.00 H new ATOM 0 HB3 SER A 47 18.931 0.700 -1.875 1.00 0.00 H new ATOM 0 HG SER A 47 17.717 2.699 -2.085 1.00 0.00 H new ATOM 594 N TYR A 48 19.971 0.754 -5.278 1.00 0.00 N ATOM 595 CA TYR A 48 21.211 0.217 -5.817 1.00 0.00 C ATOM 596 C TYR A 48 22.410 0.665 -4.992 1.00 0.00 C ATOM 597 O TYR A 48 22.691 1.857 -4.877 1.00 0.00 O ATOM 598 CB TYR A 48 21.388 0.652 -7.274 1.00 0.00 C ATOM 599 CG TYR A 48 20.108 0.623 -8.082 1.00 0.00 C ATOM 600 CD1 TYR A 48 19.959 1.421 -9.210 1.00 0.00 C ATOM 601 CD2 TYR A 48 19.053 -0.205 -7.720 1.00 0.00 C ATOM 602 CE1 TYR A 48 18.793 1.396 -9.952 1.00 0.00 C ATOM 603 CE2 TYR A 48 17.884 -0.235 -8.457 1.00 0.00 C ATOM 604 CZ TYR A 48 17.760 0.567 -9.572 1.00 0.00 C ATOM 605 OH TYR A 48 16.598 0.540 -10.308 1.00 0.00 O ATOM 0 H TYR A 48 19.658 1.620 -5.717 1.00 0.00 H new ATOM 0 HA TYR A 48 21.153 -0.871 -5.772 1.00 0.00 H new ATOM 0 HB2 TYR A 48 21.796 1.662 -7.294 1.00 0.00 H new ATOM 0 HB3 TYR A 48 22.122 0.002 -7.751 1.00 0.00 H new ATOM 0 HD1 TYR A 48 20.767 2.071 -9.512 1.00 0.00 H new ATOM 0 HD2 TYR A 48 19.148 -0.836 -6.848 1.00 0.00 H new ATOM 0 HE1 TYR A 48 18.692 2.023 -10.825 1.00 0.00 H new ATOM 0 HE2 TYR A 48 17.072 -0.883 -8.161 1.00 0.00 H new ATOM 0 HH TYR A 48 15.971 -0.097 -9.907 1.00 0.00 H new ATOM 615 N CYS A 49 23.112 -0.305 -4.423 1.00 0.00 N ATOM 616 CA CYS A 49 24.295 -0.027 -3.623 1.00 0.00 C ATOM 617 C CYS A 49 25.432 0.456 -4.512 1.00 0.00 C ATOM 618 O CYS A 49 25.919 -0.282 -5.369 1.00 0.00 O ATOM 619 CB CYS A 49 24.720 -1.282 -2.857 1.00 0.00 C ATOM 620 SG CYS A 49 26.340 -1.145 -2.034 1.00 0.00 S ATOM 0 H CYS A 49 22.881 -1.295 -4.502 1.00 0.00 H new ATOM 0 HA CYS A 49 24.055 0.758 -2.906 1.00 0.00 H new ATOM 0 HB2 CYS A 49 23.963 -1.510 -2.107 1.00 0.00 H new ATOM 0 HB3 CYS A 49 24.747 -2.124 -3.549 1.00 0.00 H new ATOM 625 N GLU A 50 25.848 1.700 -4.311 1.00 0.00 N ATOM 626 CA GLU A 50 26.911 2.279 -5.121 1.00 0.00 C ATOM 627 C GLU A 50 27.788 3.215 -4.294 1.00 0.00 C ATOM 628 O GLU A 50 27.501 3.505 -3.133 1.00 0.00 O ATOM 629 CB GLU A 50 26.294 2.993 -6.342 1.00 0.00 C ATOM 630 CG GLU A 50 27.012 4.246 -6.838 1.00 0.00 C ATOM 631 CD GLU A 50 26.163 5.067 -7.787 1.00 0.00 C ATOM 632 OE1 GLU A 50 25.680 6.142 -7.373 1.00 0.00 O ATOM 633 OE2 GLU A 50 25.980 4.636 -8.945 1.00 0.00 O ATOM 0 H GLU A 50 25.468 2.324 -3.599 1.00 0.00 H new ATOM 0 HA GLU A 50 27.562 1.483 -5.481 1.00 0.00 H new ATOM 0 HB2 GLU A 50 26.246 2.280 -7.165 1.00 0.00 H new ATOM 0 HB3 GLU A 50 25.268 3.264 -6.095 1.00 0.00 H new ATOM 0 HG2 GLU A 50 27.293 4.861 -5.983 1.00 0.00 H new ATOM 0 HG3 GLU A 50 27.935 3.957 -7.340 1.00 0.00 H new ATOM 640 N LEU A 51 28.869 3.658 -4.914 1.00 0.00 N ATOM 641 CA LEU A 51 29.820 4.553 -4.274 1.00 0.00 C ATOM 642 C LEU A 51 29.150 5.842 -3.826 1.00 0.00 C ATOM 643 O LEU A 51 28.142 6.264 -4.393 1.00 0.00 O ATOM 644 CB LEU A 51 30.971 4.872 -5.228 1.00 0.00 C ATOM 645 CG LEU A 51 32.259 4.099 -4.953 1.00 0.00 C ATOM 646 CD1 LEU A 51 33.085 3.967 -6.223 1.00 0.00 C ATOM 647 CD2 LEU A 51 33.063 4.776 -3.855 1.00 0.00 C ATOM 0 H LEU A 51 29.112 3.408 -5.873 1.00 0.00 H new ATOM 0 HA LEU A 51 30.212 4.047 -3.392 1.00 0.00 H new ATOM 0 HB2 LEU A 51 30.648 4.663 -6.248 1.00 0.00 H new ATOM 0 HB3 LEU A 51 31.185 5.939 -5.174 1.00 0.00 H new ATOM 0 HG LEU A 51 31.994 3.098 -4.614 1.00 0.00 H new ATOM 0 HD11 LEU A 51 33.999 3.413 -6.007 1.00 0.00 H new ATOM 0 HD12 LEU A 51 32.508 3.434 -6.979 1.00 0.00 H new ATOM 0 HD13 LEU A 51 33.341 4.959 -6.595 1.00 0.00 H new ATOM 0 HD21 LEU A 51 33.977 4.211 -3.673 1.00 0.00 H new ATOM 0 HD22 LEU A 51 33.318 5.790 -4.163 1.00 0.00 H new ATOM 0 HD23 LEU A 51 32.471 4.813 -2.941 1.00 0.00 H new ATOM 709 N MET A 57 30.578 4.043 0.587 1.00 0.00 N ATOM 710 CA MET A 57 29.476 3.208 0.118 1.00 0.00 C ATOM 711 C MET A 57 28.136 3.839 0.476 1.00 0.00 C ATOM 712 O MET A 57 27.945 4.330 1.589 1.00 0.00 O ATOM 713 CB MET A 57 29.561 1.796 0.715 1.00 0.00 C ATOM 714 CG MET A 57 30.958 1.388 1.161 1.00 0.00 C ATOM 715 SD MET A 57 31.330 -0.337 0.789 1.00 0.00 S ATOM 716 CE MET A 57 33.087 -0.385 1.132 1.00 0.00 C ATOM 0 HA MET A 57 29.555 3.132 -0.966 1.00 0.00 H new ATOM 0 HB2 MET A 57 28.887 1.734 1.569 1.00 0.00 H new ATOM 0 HB3 MET A 57 29.205 1.079 -0.025 1.00 0.00 H new ATOM 0 HG2 MET A 57 31.693 2.028 0.672 1.00 0.00 H new ATOM 0 HG3 MET A 57 31.055 1.553 2.234 1.00 0.00 H new ATOM 0 HE1 MET A 57 33.466 -1.390 0.948 1.00 0.00 H new ATOM 0 HE2 MET A 57 33.604 0.322 0.483 1.00 0.00 H new ATOM 0 HE3 MET A 57 33.262 -0.116 2.174 1.00 0.00 H new ATOM 726 N VAL A 58 27.213 3.826 -0.477 1.00 0.00 N ATOM 727 CA VAL A 58 25.889 4.397 -0.271 1.00 0.00 C ATOM 728 C VAL A 58 24.836 3.616 -1.047 1.00 0.00 C ATOM 729 O VAL A 58 25.140 2.602 -1.674 1.00 0.00 O ATOM 730 CB VAL A 58 25.842 5.874 -0.700 1.00 0.00 C ATOM 731 CG1 VAL A 58 26.684 6.730 0.233 1.00 0.00 C ATOM 732 CG2 VAL A 58 26.313 6.015 -2.135 1.00 0.00 C ATOM 0 H VAL A 58 27.358 3.425 -1.403 1.00 0.00 H new ATOM 0 HA VAL A 58 25.674 4.334 0.796 1.00 0.00 H new ATOM 0 HB VAL A 58 24.812 6.224 -0.638 1.00 0.00 H new ATOM 0 HG11 VAL A 58 26.638 7.771 -0.087 1.00 0.00 H new ATOM 0 HG12 VAL A 58 26.300 6.646 1.250 1.00 0.00 H new ATOM 0 HG13 VAL A 58 27.719 6.388 0.206 1.00 0.00 H new ATOM 0 HG21 VAL A 58 26.276 7.064 -2.429 1.00 0.00 H new ATOM 0 HG22 VAL A 58 27.337 5.651 -2.219 1.00 0.00 H new ATOM 0 HG23 VAL A 58 25.665 5.432 -2.790 1.00 0.00 H new ATOM 742 N TRP A 59 23.600 4.098 -1.008 1.00 0.00 N ATOM 743 CA TRP A 59 22.504 3.437 -1.698 1.00 0.00 C ATOM 744 C TRP A 59 21.741 4.420 -2.580 1.00 0.00 C ATOM 745 O TRP A 59 21.458 5.545 -2.170 1.00 0.00 O ATOM 746 CB TRP A 59 21.555 2.812 -0.678 1.00 0.00 C ATOM 747 CG TRP A 59 22.119 1.602 0.003 1.00 0.00 C ATOM 748 CD1 TRP A 59 22.868 1.573 1.146 1.00 0.00 C ATOM 749 CD2 TRP A 59 21.961 0.242 -0.407 1.00 0.00 C ATOM 750 NE1 TRP A 59 23.188 0.276 1.468 1.00 0.00 N ATOM 751 CE2 TRP A 59 22.642 -0.560 0.528 1.00 0.00 C ATOM 752 CE3 TRP A 59 21.310 -0.376 -1.477 1.00 0.00 C ATOM 753 CZ2 TRP A 59 22.688 -1.948 0.421 1.00 0.00 C ATOM 754 CZ3 TRP A 59 21.365 -1.750 -1.586 1.00 0.00 C ATOM 755 CH2 TRP A 59 22.040 -2.522 -0.640 1.00 0.00 C ATOM 0 H TRP A 59 23.333 4.945 -0.505 1.00 0.00 H new ATOM 0 HA TRP A 59 22.920 2.657 -2.336 1.00 0.00 H new ATOM 0 HB2 TRP A 59 21.302 3.558 0.075 1.00 0.00 H new ATOM 0 HB3 TRP A 59 20.627 2.537 -1.179 1.00 0.00 H new ATOM 0 HD1 TRP A 59 23.165 2.443 1.713 1.00 0.00 H new ATOM 0 HE1 TRP A 59 23.741 -0.017 2.274 1.00 0.00 H new ATOM 0 HE3 TRP A 59 20.773 0.212 -2.207 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 23.215 -2.549 1.147 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 20.877 -2.236 -2.418 1.00 0.00 H new ATOM 0 HH2 TRP A 59 22.052 -3.597 -0.747 1.00 0.00 H new ATOM 766 N ASN A 60 21.402 3.986 -3.791 1.00 0.00 N ATOM 767 CA ASN A 60 20.677 4.834 -4.728 1.00 0.00 C ATOM 768 C ASN A 60 19.826 3.993 -5.685 1.00 0.00 C ATOM 769 O ASN A 60 20.355 3.137 -6.394 1.00 0.00 O ATOM 770 CB ASN A 60 21.662 5.683 -5.530 1.00 0.00 C ATOM 771 CG ASN A 60 21.969 7.005 -4.855 1.00 0.00 C ATOM 772 OD1 ASN A 60 21.101 7.869 -4.733 1.00 0.00 O ATOM 773 ND2 ASN A 60 23.208 7.166 -4.409 1.00 0.00 N ATOM 0 H ASN A 60 21.618 3.054 -4.144 1.00 0.00 H new ATOM 0 HA ASN A 60 20.014 5.484 -4.156 1.00 0.00 H new ATOM 0 HB2 ASN A 60 22.588 5.126 -5.669 1.00 0.00 H new ATOM 0 HB3 ASN A 60 21.251 5.871 -6.522 1.00 0.00 H new ATOM 0 HD21 ASN A 60 23.474 8.034 -3.943 1.00 0.00 H new ATOM 0 HD22 ASN A 60 23.895 6.422 -4.532 1.00 0.00 H new ATOM 780 N PRO A 61 18.494 4.220 -5.736 1.00 0.00 N ATOM 781 CA PRO A 61 17.806 5.228 -4.918 1.00 0.00 C ATOM 782 C PRO A 61 17.709 4.815 -3.453 1.00 0.00 C ATOM 783 O PRO A 61 18.382 3.882 -3.014 1.00 0.00 O ATOM 784 CB PRO A 61 16.416 5.311 -5.548 1.00 0.00 C ATOM 785 CG PRO A 61 16.202 3.977 -6.174 1.00 0.00 C ATOM 786 CD PRO A 61 17.558 3.492 -6.613 1.00 0.00 C ATOM 0 HA PRO A 61 18.338 6.179 -4.909 1.00 0.00 H new ATOM 0 HB2 PRO A 61 15.654 5.523 -4.798 1.00 0.00 H new ATOM 0 HB3 PRO A 61 16.365 6.109 -6.289 1.00 0.00 H new ATOM 0 HG2 PRO A 61 15.752 3.283 -5.465 1.00 0.00 H new ATOM 0 HG3 PRO A 61 15.522 4.051 -7.023 1.00 0.00 H new ATOM 0 HD2 PRO A 61 17.655 2.413 -6.493 1.00 0.00 H new ATOM 0 HD3 PRO A 61 17.741 3.714 -7.664 1.00 0.00 H new ATOM 794 N GLU A 62 16.882 5.529 -2.695 1.00 0.00 N ATOM 795 CA GLU A 62 16.704 5.256 -1.284 1.00 0.00 C ATOM 796 C GLU A 62 15.313 4.687 -1.011 1.00 0.00 C ATOM 797 O GLU A 62 14.679 4.113 -1.897 1.00 0.00 O ATOM 798 CB GLU A 62 16.921 6.542 -0.491 1.00 0.00 C ATOM 799 CG GLU A 62 18.159 7.311 -0.903 1.00 0.00 C ATOM 800 CD GLU A 62 18.086 8.779 -0.532 1.00 0.00 C ATOM 801 OE1 GLU A 62 17.035 9.209 -0.011 1.00 0.00 O ATOM 802 OE2 GLU A 62 19.080 9.500 -0.762 1.00 0.00 O ATOM 0 H GLU A 62 16.322 6.307 -3.044 1.00 0.00 H new ATOM 0 HA GLU A 62 17.435 4.510 -0.971 1.00 0.00 H new ATOM 0 HB2 GLU A 62 16.049 7.184 -0.612 1.00 0.00 H new ATOM 0 HB3 GLU A 62 16.992 6.297 0.569 1.00 0.00 H new ATOM 0 HG2 GLU A 62 19.034 6.864 -0.430 1.00 0.00 H new ATOM 0 HG3 GLU A 62 18.297 7.219 -1.980 1.00 0.00 H new ATOM 809 N ALA A 63 14.845 4.856 0.219 1.00 0.00 N ATOM 810 CA ALA A 63 13.529 4.382 0.620 1.00 0.00 C ATOM 811 C ALA A 63 12.437 5.298 0.073 1.00 0.00 C ATOM 812 O ALA A 63 12.332 6.456 0.477 1.00 0.00 O ATOM 813 CB ALA A 63 13.442 4.304 2.135 1.00 0.00 C ATOM 0 H ALA A 63 15.364 5.323 0.962 1.00 0.00 H new ATOM 0 HA ALA A 63 13.379 3.385 0.206 1.00 0.00 H new ATOM 0 HB1 ALA A 63 12.453 3.948 2.425 1.00 0.00 H new ATOM 0 HB2 ALA A 63 14.199 3.615 2.508 1.00 0.00 H new ATOM 0 HB3 ALA A 63 13.611 5.293 2.561 1.00 0.00 H new ATOM 819 N PRO A 64 11.612 4.798 -0.861 1.00 0.00 N ATOM 820 CA PRO A 64 10.541 5.590 -1.471 1.00 0.00 C ATOM 821 C PRO A 64 9.430 5.920 -0.477 1.00 0.00 C ATOM 822 O PRO A 64 9.677 6.051 0.722 1.00 0.00 O ATOM 823 CB PRO A 64 10.013 4.685 -2.593 1.00 0.00 C ATOM 824 CG PRO A 64 11.049 3.628 -2.764 1.00 0.00 C ATOM 825 CD PRO A 64 11.661 3.439 -1.416 1.00 0.00 C ATOM 0 HA PRO A 64 10.901 6.556 -1.826 1.00 0.00 H new ATOM 0 HB2 PRO A 64 9.049 4.252 -2.328 1.00 0.00 H new ATOM 0 HB3 PRO A 64 9.867 5.246 -3.516 1.00 0.00 H new ATOM 0 HG2 PRO A 64 10.606 2.700 -3.126 1.00 0.00 H new ATOM 0 HG3 PRO A 64 11.799 3.930 -3.495 1.00 0.00 H new ATOM 0 HD2 PRO A 64 11.098 2.730 -0.809 1.00 0.00 H new ATOM 0 HD3 PRO A 64 12.682 3.062 -1.481 1.00 0.00 H new ATOM 833 N ILE A 65 8.210 6.059 -0.983 1.00 0.00 N ATOM 834 CA ILE A 65 7.065 6.378 -0.139 1.00 0.00 C ATOM 835 C ILE A 65 5.862 5.524 -0.513 1.00 0.00 C ATOM 836 O ILE A 65 5.947 4.672 -1.397 1.00 0.00 O ATOM 837 CB ILE A 65 6.680 7.865 -0.253 1.00 0.00 C ATOM 838 CG1 ILE A 65 6.794 8.332 -1.705 1.00 0.00 C ATOM 839 CG2 ILE A 65 7.563 8.710 0.651 1.00 0.00 C ATOM 840 CD1 ILE A 65 6.047 9.617 -1.987 1.00 0.00 C ATOM 0 H ILE A 65 7.988 5.956 -1.973 1.00 0.00 H new ATOM 0 HA ILE A 65 7.357 6.166 0.890 1.00 0.00 H new ATOM 0 HB ILE A 65 5.645 7.984 0.068 1.00 0.00 H new ATOM 0 HG12 ILE A 65 7.847 8.471 -1.952 1.00 0.00 H new ATOM 0 HG13 ILE A 65 6.414 7.549 -2.361 1.00 0.00 H new ATOM 0 HG21 ILE A 65 7.279 9.758 0.560 1.00 0.00 H new ATOM 0 HG22 ILE A 65 7.438 8.389 1.685 1.00 0.00 H new ATOM 0 HG23 ILE A 65 8.606 8.589 0.357 1.00 0.00 H new ATOM 0 HD11 ILE A 65 6.172 9.888 -3.035 1.00 0.00 H new ATOM 0 HD12 ILE A 65 4.988 9.477 -1.772 1.00 0.00 H new ATOM 0 HD13 ILE A 65 6.442 10.414 -1.357 1.00 0.00 H new ATOM 852 N CYS A 66 4.742 5.754 0.161 1.00 0.00 N ATOM 853 CA CYS A 66 3.527 5.005 -0.121 1.00 0.00 C ATOM 854 C CYS A 66 2.281 5.826 0.160 1.00 0.00 C ATOM 855 O CYS A 66 2.295 6.756 0.967 1.00 0.00 O ATOM 856 CB CYS A 66 3.470 3.724 0.708 1.00 0.00 C ATOM 857 SG CYS A 66 4.790 2.524 0.336 1.00 0.00 S ATOM 0 H CYS A 66 4.651 6.449 0.902 1.00 0.00 H new ATOM 0 HA CYS A 66 3.553 4.756 -1.182 1.00 0.00 H new ATOM 0 HB2 CYS A 66 3.523 3.987 1.764 1.00 0.00 H new ATOM 0 HB3 CYS A 66 2.504 3.245 0.547 1.00 0.00 H new ATOM 862 N GLU A 67 1.194 5.434 -0.483 1.00 0.00 N ATOM 863 CA GLU A 67 -0.094 6.082 -0.287 1.00 0.00 C ATOM 864 C GLU A 67 -1.170 5.047 0.000 1.00 0.00 C ATOM 865 O GLU A 67 -1.556 4.270 -0.873 1.00 0.00 O ATOM 866 CB GLU A 67 -0.472 6.905 -1.513 1.00 0.00 C ATOM 867 CG GLU A 67 -1.111 8.243 -1.178 1.00 0.00 C ATOM 868 CD GLU A 67 -2.239 8.603 -2.125 1.00 0.00 C ATOM 869 OE1 GLU A 67 -2.165 8.217 -3.311 1.00 0.00 O ATOM 870 OE2 GLU A 67 -3.196 9.272 -1.682 1.00 0.00 O ATOM 0 H GLU A 67 1.178 4.663 -1.151 1.00 0.00 H new ATOM 0 HA GLU A 67 -0.013 6.751 0.570 1.00 0.00 H new ATOM 0 HB2 GLU A 67 0.422 7.079 -2.112 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -1.161 6.327 -2.129 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -1.493 8.214 -0.158 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -0.351 9.023 -1.211 1.00 0.00 H new ATOM 877 N SER A 68 -1.628 5.032 1.240 1.00 0.00 N ATOM 878 CA SER A 68 -2.640 4.078 1.675 1.00 0.00 C ATOM 879 C SER A 68 -3.825 4.056 0.718 1.00 0.00 C ATOM 880 O SER A 68 -4.356 5.098 0.334 1.00 0.00 O ATOM 881 CB SER A 68 -3.104 4.404 3.092 1.00 0.00 C ATOM 882 OG SER A 68 -4.102 5.410 3.088 1.00 0.00 O ATOM 0 H SER A 68 -1.314 5.673 1.969 1.00 0.00 H new ATOM 0 HA SER A 68 -2.190 3.085 1.673 1.00 0.00 H new ATOM 0 HB2 SER A 68 -3.494 3.503 3.565 1.00 0.00 H new ATOM 0 HB3 SER A 68 -2.254 4.735 3.688 1.00 0.00 H new ATOM 0 HG SER A 68 -4.381 5.597 4.008 1.00 0.00 H new ATOM 888 N VAL A 69 -4.221 2.850 0.334 1.00 0.00 N ATOM 889 CA VAL A 69 -5.315 2.650 -0.601 1.00 0.00 C ATOM 890 C VAL A 69 -6.585 3.361 -0.162 1.00 0.00 C ATOM 891 O VAL A 69 -7.303 2.893 0.722 1.00 0.00 O ATOM 892 CB VAL A 69 -5.622 1.157 -0.773 1.00 0.00 C ATOM 893 CG1 VAL A 69 -5.851 0.526 0.584 1.00 0.00 C ATOM 894 CG2 VAL A 69 -4.499 0.453 -1.516 1.00 0.00 C ATOM 0 H VAL A 69 -3.792 1.985 0.663 1.00 0.00 H new ATOM 0 HA VAL A 69 -4.988 3.076 -1.550 1.00 0.00 H new ATOM 0 HB VAL A 69 -6.528 1.050 -1.370 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -6.069 -0.535 0.460 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -4.956 0.643 1.196 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -6.693 1.014 1.075 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -4.741 -0.604 -1.625 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -4.378 0.901 -2.502 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -3.570 0.556 -0.955 1.00 0.00 H new ATOM 904 N LYS A 70 -6.880 4.465 -0.828 1.00 0.00 N ATOM 905 CA LYS A 70 -8.088 5.230 -0.553 1.00 0.00 C ATOM 906 C LYS A 70 -9.247 4.729 -1.410 1.00 0.00 C ATOM 907 O LYS A 70 -9.216 4.846 -2.636 1.00 0.00 O ATOM 908 CB LYS A 70 -7.851 6.715 -0.828 1.00 0.00 C ATOM 909 CG LYS A 70 -7.566 7.527 0.421 1.00 0.00 C ATOM 910 CD LYS A 70 -8.855 7.922 1.116 1.00 0.00 C ATOM 911 CE LYS A 70 -8.605 8.379 2.542 1.00 0.00 C ATOM 912 NZ LYS A 70 -8.312 9.838 2.615 1.00 0.00 N ATOM 0 H LYS A 70 -6.296 4.855 -1.568 1.00 0.00 H new ATOM 0 HA LYS A 70 -8.342 5.097 0.498 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -7.013 6.819 -1.518 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -8.728 7.128 -1.327 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -6.944 6.947 1.103 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -7.002 8.421 0.157 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -9.340 8.722 0.557 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -9.541 7.075 1.120 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -9.478 8.153 3.154 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -7.769 7.819 2.961 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -8.147 10.110 3.605 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -7.464 10.050 2.052 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -9.120 10.374 2.239 1.00 0.00 H new ATOM 926 N CYS A 71 -10.261 4.162 -0.766 1.00 0.00 N ATOM 927 CA CYS A 71 -11.430 3.664 -1.479 1.00 0.00 C ATOM 928 C CYS A 71 -12.515 4.722 -1.512 1.00 0.00 C ATOM 929 O CYS A 71 -12.930 5.240 -0.475 1.00 0.00 O ATOM 930 CB CYS A 71 -11.992 2.381 -0.848 1.00 0.00 C ATOM 931 SG CYS A 71 -10.950 1.607 0.438 1.00 0.00 S ATOM 0 H CYS A 71 -10.297 4.036 0.246 1.00 0.00 H new ATOM 0 HA CYS A 71 -11.108 3.428 -2.493 1.00 0.00 H new ATOM 0 HB2 CYS A 71 -12.965 2.608 -0.413 1.00 0.00 H new ATOM 0 HB3 CYS A 71 -12.160 1.652 -1.641 1.00 0.00 H new ATOM 936 N GLN A 72 -12.970 5.036 -2.710 1.00 0.00 N ATOM 937 CA GLN A 72 -14.028 6.015 -2.884 1.00 0.00 C ATOM 938 C GLN A 72 -15.353 5.438 -2.404 1.00 0.00 C ATOM 939 O GLN A 72 -15.375 4.529 -1.574 1.00 0.00 O ATOM 940 CB GLN A 72 -14.113 6.450 -4.351 1.00 0.00 C ATOM 941 CG GLN A 72 -14.722 5.410 -5.278 1.00 0.00 C ATOM 942 CD GLN A 72 -13.674 4.622 -6.039 1.00 0.00 C ATOM 943 OE1 GLN A 72 -13.194 5.055 -7.087 1.00 0.00 O ATOM 944 NE2 GLN A 72 -13.314 3.457 -5.515 1.00 0.00 N ATOM 0 H GLN A 72 -12.624 4.628 -3.578 1.00 0.00 H new ATOM 0 HA GLN A 72 -13.802 6.897 -2.285 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -14.703 7.365 -4.413 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -13.111 6.692 -4.705 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -15.335 4.723 -4.694 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -15.385 5.905 -5.987 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -13.738 3.137 -4.644 1.00 0.00 H new ATOM 0 HE22 GLN A 72 -12.614 2.882 -5.983 1.00 0.00 H new ATOM 953 N SER A 73 -16.456 5.958 -2.923 1.00 0.00 N ATOM 954 CA SER A 73 -17.766 5.474 -2.543 1.00 0.00 C ATOM 955 C SER A 73 -17.850 3.958 -2.721 1.00 0.00 C ATOM 956 O SER A 73 -17.261 3.403 -3.649 1.00 0.00 O ATOM 957 CB SER A 73 -18.831 6.164 -3.387 1.00 0.00 C ATOM 958 OG SER A 73 -20.052 6.282 -2.679 1.00 0.00 O ATOM 0 H SER A 73 -16.465 6.714 -3.607 1.00 0.00 H new ATOM 0 HA SER A 73 -17.937 5.705 -1.491 1.00 0.00 H new ATOM 0 HB2 SER A 73 -18.481 7.154 -3.680 1.00 0.00 H new ATOM 0 HB3 SER A 73 -18.993 5.599 -4.305 1.00 0.00 H new ATOM 0 HG SER A 73 -20.667 5.576 -2.968 1.00 0.00 H new ATOM 964 N PRO A 74 -18.567 3.263 -1.823 1.00 0.00 N ATOM 965 CA PRO A 74 -18.707 1.803 -1.881 1.00 0.00 C ATOM 966 C PRO A 74 -19.358 1.334 -3.184 1.00 0.00 C ATOM 967 O PRO A 74 -19.915 2.136 -3.932 1.00 0.00 O ATOM 968 CB PRO A 74 -19.600 1.470 -0.678 1.00 0.00 C ATOM 969 CG PRO A 74 -19.512 2.661 0.216 1.00 0.00 C ATOM 970 CD PRO A 74 -19.293 3.843 -0.682 1.00 0.00 C ATOM 0 HA PRO A 74 -17.739 1.303 -1.851 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -20.628 1.287 -0.990 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -19.256 0.570 -0.169 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -20.426 2.779 0.799 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -18.692 2.555 0.927 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -20.236 4.295 -0.991 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -18.712 4.622 -0.189 1.00 0.00 H new ATOM 978 N PRO A 75 -19.284 0.023 -3.478 1.00 0.00 N ATOM 979 CA PRO A 75 -19.856 -0.549 -4.696 1.00 0.00 C ATOM 980 C PRO A 75 -21.219 0.036 -5.043 1.00 0.00 C ATOM 981 O PRO A 75 -21.860 0.683 -4.215 1.00 0.00 O ATOM 982 CB PRO A 75 -19.985 -2.029 -4.348 1.00 0.00 C ATOM 983 CG PRO A 75 -18.867 -2.291 -3.398 1.00 0.00 C ATOM 984 CD PRO A 75 -18.626 -1.004 -2.648 1.00 0.00 C ATOM 0 HA PRO A 75 -19.239 -0.345 -5.571 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -20.951 -2.246 -3.893 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -19.904 -2.654 -5.237 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -19.124 -3.097 -2.711 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -17.969 -2.601 -3.933 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -19.053 -1.040 -1.646 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -17.561 -0.802 -2.534 1.00 0.00 H new ATOM 992 N SER A 76 -21.656 -0.204 -6.275 1.00 0.00 N ATOM 993 CA SER A 76 -22.946 0.286 -6.740 1.00 0.00 C ATOM 994 C SER A 76 -23.885 -0.875 -7.046 1.00 0.00 C ATOM 995 O SER A 76 -23.961 -1.343 -8.182 1.00 0.00 O ATOM 996 CB SER A 76 -22.766 1.152 -7.988 1.00 0.00 C ATOM 997 OG SER A 76 -22.059 2.342 -7.688 1.00 0.00 O ATOM 0 H SER A 76 -21.133 -0.737 -6.970 1.00 0.00 H new ATOM 0 HA SER A 76 -23.386 0.891 -5.947 1.00 0.00 H new ATOM 0 HB2 SER A 76 -22.228 0.589 -8.750 1.00 0.00 H new ATOM 0 HB3 SER A 76 -23.742 1.401 -8.405 1.00 0.00 H new ATOM 0 HG SER A 76 -21.956 2.876 -8.503 1.00 0.00 H new ATOM 1003 N ILE A 77 -24.601 -1.332 -6.026 1.00 0.00 N ATOM 1004 CA ILE A 77 -25.530 -2.446 -6.183 1.00 0.00 C ATOM 1005 C ILE A 77 -26.734 -2.041 -7.026 1.00 0.00 C ATOM 1006 O ILE A 77 -26.780 -0.939 -7.571 1.00 0.00 O ATOM 1007 CB ILE A 77 -26.020 -2.969 -4.817 1.00 0.00 C ATOM 1008 CG1 ILE A 77 -26.864 -1.910 -4.099 1.00 0.00 C ATOM 1009 CG2 ILE A 77 -24.835 -3.379 -3.957 1.00 0.00 C ATOM 1010 CD1 ILE A 77 -27.895 -2.496 -3.160 1.00 0.00 C ATOM 0 H ILE A 77 -24.557 -0.949 -5.082 1.00 0.00 H new ATOM 0 HA ILE A 77 -24.987 -3.243 -6.691 1.00 0.00 H new ATOM 0 HB ILE A 77 -26.648 -3.843 -4.988 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -26.203 -1.251 -3.535 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -27.370 -1.294 -4.843 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -25.193 -3.746 -2.995 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -24.275 -4.167 -4.461 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -24.186 -2.518 -3.797 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -28.456 -1.690 -2.686 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -28.579 -3.132 -3.722 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -27.395 -3.089 -2.394 1.00 0.00 H new ATOM 1022 N SER A 78 -27.710 -2.937 -7.125 1.00 0.00 N ATOM 1023 CA SER A 78 -28.916 -2.665 -7.897 1.00 0.00 C ATOM 1024 C SER A 78 -30.067 -2.269 -6.986 1.00 0.00 C ATOM 1025 O SER A 78 -30.164 -2.736 -5.851 1.00 0.00 O ATOM 1026 CB SER A 78 -29.318 -3.890 -8.718 1.00 0.00 C ATOM 1027 OG SER A 78 -30.027 -3.510 -9.885 1.00 0.00 O ATOM 0 H SER A 78 -27.690 -3.855 -6.682 1.00 0.00 H new ATOM 0 HA SER A 78 -28.697 -1.837 -8.571 1.00 0.00 H new ATOM 0 HB2 SER A 78 -28.428 -4.453 -8.997 1.00 0.00 H new ATOM 0 HB3 SER A 78 -29.937 -4.551 -8.112 1.00 0.00 H new ATOM 0 HG SER A 78 -30.272 -4.311 -10.394 1.00 0.00 H new ATOM 1033 N ASN A 79 -30.953 -1.423 -7.498 1.00 0.00 N ATOM 1034 CA ASN A 79 -32.127 -0.999 -6.744 1.00 0.00 C ATOM 1035 C ASN A 79 -31.749 -0.586 -5.325 1.00 0.00 C ATOM 1036 O ASN A 79 -32.546 -0.714 -4.396 1.00 0.00 O ATOM 1037 CB ASN A 79 -33.159 -2.132 -6.705 1.00 0.00 C ATOM 1038 CG ASN A 79 -33.210 -2.913 -7.997 1.00 0.00 C ATOM 1039 OD1 ASN A 79 -34.043 -2.651 -8.865 1.00 0.00 O ATOM 1040 ND2 ASN A 79 -32.310 -3.873 -8.135 1.00 0.00 N ATOM 0 H ASN A 79 -30.881 -1.017 -8.431 1.00 0.00 H new ATOM 0 HA ASN A 79 -32.560 -0.133 -7.244 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -32.920 -2.809 -5.884 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -34.144 -1.715 -6.497 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -32.287 -4.432 -8.988 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -31.639 -4.054 -7.388 1.00 0.00 H new ATOM 1047 N GLY A 80 -30.526 -0.093 -5.168 1.00 0.00 N ATOM 1048 CA GLY A 80 -30.066 0.335 -3.861 1.00 0.00 C ATOM 1049 C GLY A 80 -28.866 1.256 -3.927 1.00 0.00 C ATOM 1050 O GLY A 80 -28.485 1.718 -5.003 1.00 0.00 O ATOM 0 H GLY A 80 -29.846 0.018 -5.921 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -30.880 0.844 -3.345 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -29.811 -0.542 -3.267 1.00 0.00 H new ATOM 1054 N ARG A 81 -28.289 1.546 -2.766 1.00 0.00 N ATOM 1055 CA ARG A 81 -27.145 2.440 -2.682 1.00 0.00 C ATOM 1056 C ARG A 81 -26.534 2.417 -1.285 1.00 0.00 C ATOM 1057 O ARG A 81 -26.949 1.642 -0.425 1.00 0.00 O ATOM 1058 CB ARG A 81 -27.562 3.867 -3.046 1.00 0.00 C ATOM 1059 CG ARG A 81 -28.968 4.234 -2.596 1.00 0.00 C ATOM 1060 CD ARG A 81 -29.512 5.409 -3.390 1.00 0.00 C ATOM 1061 NE ARG A 81 -30.186 6.383 -2.536 1.00 0.00 N ATOM 1062 CZ ARG A 81 -30.566 7.587 -2.950 1.00 0.00 C ATOM 1063 NH1 ARG A 81 -30.339 7.962 -4.201 1.00 0.00 N ATOM 1064 NH2 ARG A 81 -31.173 8.416 -2.113 1.00 0.00 N ATOM 0 H ARG A 81 -28.598 1.172 -1.868 1.00 0.00 H new ATOM 0 HA ARG A 81 -26.393 2.094 -3.391 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -26.855 4.566 -2.600 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -27.494 3.990 -4.127 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -29.627 3.374 -2.717 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -28.959 4.482 -1.535 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -28.695 5.897 -3.921 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -30.209 5.045 -4.144 1.00 0.00 H new ATOM 0 HE ARG A 81 -30.376 6.125 -1.568 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -29.872 7.326 -4.847 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -30.631 8.887 -4.517 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -31.349 8.130 -1.150 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -31.464 9.340 -2.432 1.00 0.00 H new ATOM 1078 N HIS A 82 -25.549 3.277 -1.071 1.00 0.00 N ATOM 1079 CA HIS A 82 -24.867 3.370 0.216 1.00 0.00 C ATOM 1080 C HIS A 82 -25.069 4.752 0.833 1.00 0.00 C ATOM 1081 O HIS A 82 -25.605 5.653 0.188 1.00 0.00 O ATOM 1082 CB HIS A 82 -23.372 3.090 0.040 1.00 0.00 C ATOM 1083 CG HIS A 82 -22.821 3.604 -1.255 1.00 0.00 C ATOM 1084 ND1 HIS A 82 -22.571 2.793 -2.342 1.00 0.00 N ATOM 1085 CD2 HIS A 82 -22.504 4.861 -1.646 1.00 0.00 C ATOM 1086 CE1 HIS A 82 -22.111 3.526 -3.339 1.00 0.00 C ATOM 1087 NE2 HIS A 82 -22.060 4.783 -2.942 1.00 0.00 N ATOM 0 H HIS A 82 -25.201 3.926 -1.777 1.00 0.00 H new ATOM 0 HA HIS A 82 -25.294 2.624 0.887 1.00 0.00 H new ATOM 0 HB2 HIS A 82 -22.825 3.545 0.866 1.00 0.00 H new ATOM 0 HB3 HIS A 82 -23.201 2.015 0.098 1.00 0.00 H new ATOM 0 HD1 HIS A 82 -22.718 1.784 -2.371 1.00 0.00 H new ATOM 0 HD2 HIS A 82 -22.585 5.758 -1.049 1.00 0.00 H new ATOM 0 HE1 HIS A 82 -21.825 3.159 -4.314 1.00 0.00 H new ATOM 1096 N ASN A 83 -24.639 4.917 2.081 1.00 0.00 N ATOM 1097 CA ASN A 83 -24.775 6.202 2.765 1.00 0.00 C ATOM 1098 C ASN A 83 -23.415 6.871 2.955 1.00 0.00 C ATOM 1099 O ASN A 83 -23.079 7.821 2.247 1.00 0.00 O ATOM 1100 CB ASN A 83 -25.476 6.035 4.120 1.00 0.00 C ATOM 1101 CG ASN A 83 -25.162 4.713 4.792 1.00 0.00 C ATOM 1102 OD1 ASN A 83 -24.145 4.086 4.504 1.00 0.00 O ATOM 1103 ND2 ASN A 83 -26.027 4.293 5.709 1.00 0.00 N ATOM 0 H ASN A 83 -24.197 4.185 2.636 1.00 0.00 H new ATOM 0 HA ASN A 83 -25.390 6.844 2.135 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -25.179 6.851 4.779 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -26.554 6.117 3.978 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -25.859 3.418 6.205 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -26.859 4.846 5.916 1.00 0.00 H new ATOM 1165 N PHE A 88 -14.268 9.687 1.078 1.00 0.00 N ATOM 1166 CA PHE A 88 -13.344 8.605 0.764 1.00 0.00 C ATOM 1167 C PHE A 88 -13.269 7.605 1.910 1.00 0.00 C ATOM 1168 O PHE A 88 -13.923 7.775 2.939 1.00 0.00 O ATOM 1169 CB PHE A 88 -11.954 9.164 0.467 1.00 0.00 C ATOM 1170 CG PHE A 88 -11.713 9.405 -0.989 1.00 0.00 C ATOM 1171 CD1 PHE A 88 -11.068 8.454 -1.756 1.00 0.00 C ATOM 1172 CD2 PHE A 88 -12.141 10.575 -1.593 1.00 0.00 C ATOM 1173 CE1 PHE A 88 -10.846 8.664 -3.100 1.00 0.00 C ATOM 1174 CE2 PHE A 88 -11.923 10.793 -2.938 1.00 0.00 C ATOM 1175 CZ PHE A 88 -11.274 9.836 -3.694 1.00 0.00 C ATOM 0 HA PHE A 88 -13.716 8.088 -0.121 1.00 0.00 H new ATOM 0 HB2 PHE A 88 -11.823 10.100 1.010 1.00 0.00 H new ATOM 0 HB3 PHE A 88 -11.203 8.469 0.843 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -10.734 7.535 -1.297 1.00 0.00 H new ATOM 0 HD2 PHE A 88 -12.651 11.324 -1.006 1.00 0.00 H new ATOM 0 HE1 PHE A 88 -10.338 7.914 -3.688 1.00 0.00 H new ATOM 0 HE2 PHE A 88 -12.259 11.710 -3.399 1.00 0.00 H new ATOM 0 HZ PHE A 88 -11.102 10.003 -4.747 1.00 0.00 H new ATOM 1185 N TYR A 89 -12.483 6.551 1.719 1.00 0.00 N ATOM 1186 CA TYR A 89 -12.338 5.517 2.736 1.00 0.00 C ATOM 1187 C TYR A 89 -10.977 4.836 2.633 1.00 0.00 C ATOM 1188 O TYR A 89 -10.285 4.960 1.624 1.00 0.00 O ATOM 1189 CB TYR A 89 -13.454 4.478 2.598 1.00 0.00 C ATOM 1190 CG TYR A 89 -14.846 5.068 2.649 1.00 0.00 C ATOM 1191 CD1 TYR A 89 -15.412 5.670 1.531 1.00 0.00 C ATOM 1192 CD2 TYR A 89 -15.596 5.017 3.816 1.00 0.00 C ATOM 1193 CE1 TYR A 89 -16.687 6.202 1.577 1.00 0.00 C ATOM 1194 CE2 TYR A 89 -16.870 5.549 3.869 1.00 0.00 C ATOM 1195 CZ TYR A 89 -17.410 6.140 2.747 1.00 0.00 C ATOM 1196 OH TYR A 89 -18.676 6.672 2.797 1.00 0.00 O ATOM 0 H TYR A 89 -11.938 6.391 0.872 1.00 0.00 H new ATOM 0 HA TYR A 89 -12.411 5.992 3.714 1.00 0.00 H new ATOM 0 HB2 TYR A 89 -13.329 3.947 1.654 1.00 0.00 H new ATOM 0 HB3 TYR A 89 -13.352 3.741 3.395 1.00 0.00 H new ATOM 0 HD1 TYR A 89 -14.847 5.723 0.612 1.00 0.00 H new ATOM 0 HD2 TYR A 89 -15.177 4.554 4.697 1.00 0.00 H new ATOM 0 HE1 TYR A 89 -17.114 6.664 0.699 1.00 0.00 H new ATOM 0 HE2 TYR A 89 -17.440 5.502 4.785 1.00 0.00 H new ATOM 0 HH TYR A 89 -19.049 6.545 3.694 1.00 0.00 H new ATOM 1206 N THR A 90 -10.599 4.115 3.684 1.00 0.00 N ATOM 1207 CA THR A 90 -9.316 3.423 3.710 1.00 0.00 C ATOM 1208 C THR A 90 -9.389 2.145 4.539 1.00 0.00 C ATOM 1209 O THR A 90 -10.457 1.753 5.006 1.00 0.00 O ATOM 1210 CB THR A 90 -8.235 4.347 4.267 1.00 0.00 C ATOM 1211 OG1 THR A 90 -8.685 4.997 5.443 1.00 0.00 O ATOM 1212 CG2 THR A 90 -7.814 5.412 3.283 1.00 0.00 C ATOM 0 H THR A 90 -11.161 3.995 4.526 1.00 0.00 H new ATOM 0 HA THR A 90 -9.063 3.145 2.687 1.00 0.00 H new ATOM 0 HB THR A 90 -7.379 3.706 4.481 1.00 0.00 H new ATOM 0 HG1 THR A 90 -7.977 5.583 5.784 1.00 0.00 H new ATOM 0 HG21 THR A 90 -7.044 6.039 3.733 1.00 0.00 H new ATOM 0 HG22 THR A 90 -7.418 4.940 2.384 1.00 0.00 H new ATOM 0 HG23 THR A 90 -8.675 6.027 3.021 1.00 0.00 H new ATOM 1220 N ASP A 91 -8.243 1.496 4.711 1.00 0.00 N ATOM 1221 CA ASP A 91 -8.171 0.255 5.464 1.00 0.00 C ATOM 1222 C ASP A 91 -8.792 0.401 6.840 1.00 0.00 C ATOM 1223 O ASP A 91 -8.130 0.795 7.801 1.00 0.00 O ATOM 1224 CB ASP A 91 -6.722 -0.205 5.600 1.00 0.00 C ATOM 1225 CG ASP A 91 -5.853 0.816 6.308 1.00 0.00 C ATOM 1226 OD1 ASP A 91 -5.455 1.807 5.660 1.00 0.00 O ATOM 1227 OD2 ASP A 91 -5.570 0.624 7.509 1.00 0.00 O ATOM 0 H ASP A 91 -7.349 1.813 4.336 1.00 0.00 H new ATOM 0 HA ASP A 91 -8.738 -0.495 4.911 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -6.693 -1.146 6.150 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -6.312 -0.402 4.609 1.00 0.00 H new ATOM 1232 N GLY A 92 -10.064 0.055 6.929 1.00 0.00 N ATOM 1233 CA GLY A 92 -10.755 0.099 8.199 1.00 0.00 C ATOM 1234 C GLY A 92 -11.994 0.974 8.187 1.00 0.00 C ATOM 1235 O GLY A 92 -12.392 1.499 9.227 1.00 0.00 O ATOM 0 H GLY A 92 -10.633 -0.257 6.142 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -11.039 -0.914 8.484 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -10.070 0.465 8.963 1.00 0.00 H new ATOM 1239 N SER A 93 -12.613 1.135 7.021 1.00 0.00 N ATOM 1240 CA SER A 93 -13.824 1.942 6.922 1.00 0.00 C ATOM 1241 C SER A 93 -15.039 1.065 6.644 1.00 0.00 C ATOM 1242 O SER A 93 -14.917 -0.011 6.062 1.00 0.00 O ATOM 1243 CB SER A 93 -13.680 3.003 5.831 1.00 0.00 C ATOM 1244 OG SER A 93 -12.321 3.211 5.494 1.00 0.00 O ATOM 0 H SER A 93 -12.301 0.723 6.142 1.00 0.00 H new ATOM 0 HA SER A 93 -13.971 2.444 7.878 1.00 0.00 H new ATOM 0 HB2 SER A 93 -14.234 2.694 4.944 1.00 0.00 H new ATOM 0 HB3 SER A 93 -14.120 3.940 6.171 1.00 0.00 H new ATOM 0 HG SER A 93 -11.994 2.450 4.970 1.00 0.00 H new ATOM 1250 N VAL A 94 -16.209 1.524 7.073 1.00 0.00 N ATOM 1251 CA VAL A 94 -17.439 0.771 6.871 1.00 0.00 C ATOM 1252 C VAL A 94 -18.565 1.674 6.376 1.00 0.00 C ATOM 1253 O VAL A 94 -18.580 2.876 6.640 1.00 0.00 O ATOM 1254 CB VAL A 94 -17.884 0.058 8.166 1.00 0.00 C ATOM 1255 CG1 VAL A 94 -16.823 -0.932 8.616 1.00 0.00 C ATOM 1256 CG2 VAL A 94 -19.222 -0.644 7.972 1.00 0.00 C ATOM 0 H VAL A 94 -16.331 2.411 7.561 1.00 0.00 H new ATOM 0 HA VAL A 94 -17.228 0.018 6.111 1.00 0.00 H new ATOM 0 HB VAL A 94 -18.010 0.812 8.943 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -17.151 -1.427 9.530 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -16.667 -1.677 7.836 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -15.889 -0.403 8.805 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -19.512 -1.138 8.900 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -19.981 0.089 7.699 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -19.132 -1.386 7.179 1.00 0.00 H new ATOM 1266 N VAL A 95 -19.509 1.073 5.663 1.00 0.00 N ATOM 1267 CA VAL A 95 -20.656 1.798 5.135 1.00 0.00 C ATOM 1268 C VAL A 95 -21.883 0.901 5.091 1.00 0.00 C ATOM 1269 O VAL A 95 -21.772 -0.308 4.897 1.00 0.00 O ATOM 1270 CB VAL A 95 -20.385 2.337 3.721 1.00 0.00 C ATOM 1271 CG1 VAL A 95 -21.523 3.227 3.256 1.00 0.00 C ATOM 1272 CG2 VAL A 95 -19.071 3.093 3.682 1.00 0.00 C ATOM 0 H VAL A 95 -19.502 0.079 5.436 1.00 0.00 H new ATOM 0 HA VAL A 95 -20.835 2.640 5.804 1.00 0.00 H new ATOM 0 HB VAL A 95 -20.316 1.488 3.041 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -21.309 3.597 2.253 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -22.450 2.654 3.242 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -21.628 4.070 3.939 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -18.896 3.467 2.673 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -19.113 3.931 4.378 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -18.258 2.425 3.967 1.00 0.00 H new ATOM 1282 N THR A 96 -23.050 1.500 5.275 1.00 0.00 N ATOM 1283 CA THR A 96 -24.297 0.752 5.253 1.00 0.00 C ATOM 1284 C THR A 96 -25.051 1.002 3.956 1.00 0.00 C ATOM 1285 O THR A 96 -25.175 2.140 3.506 1.00 0.00 O ATOM 1286 CB THR A 96 -25.170 1.135 6.448 1.00 0.00 C ATOM 1287 OG1 THR A 96 -24.746 2.367 7.004 1.00 0.00 O ATOM 1288 CG2 THR A 96 -25.161 0.105 7.553 1.00 0.00 C ATOM 0 H THR A 96 -23.159 2.500 5.441 1.00 0.00 H new ATOM 0 HA THR A 96 -24.058 -0.310 5.317 1.00 0.00 H new ATOM 0 HB THR A 96 -26.183 1.207 6.052 1.00 0.00 H new ATOM 0 HG1 THR A 96 -25.318 2.596 7.766 1.00 0.00 H new ATOM 0 HG21 THR A 96 -25.801 0.441 8.369 1.00 0.00 H new ATOM 0 HG22 THR A 96 -25.532 -0.845 7.168 1.00 0.00 H new ATOM 0 HG23 THR A 96 -24.143 -0.026 7.920 1.00 0.00 H new ATOM 1296 N TYR A 97 -25.541 -0.068 3.350 1.00 0.00 N ATOM 1297 CA TYR A 97 -26.276 0.042 2.101 1.00 0.00 C ATOM 1298 C TYR A 97 -27.770 0.168 2.356 1.00 0.00 C ATOM 1299 O TYR A 97 -28.286 -0.318 3.362 1.00 0.00 O ATOM 1300 CB TYR A 97 -26.003 -1.167 1.210 1.00 0.00 C ATOM 1301 CG TYR A 97 -24.782 -1.015 0.338 1.00 0.00 C ATOM 1302 CD1 TYR A 97 -23.568 -0.604 0.875 1.00 0.00 C ATOM 1303 CD2 TYR A 97 -24.839 -1.294 -1.019 1.00 0.00 C ATOM 1304 CE1 TYR A 97 -22.449 -0.468 0.081 1.00 0.00 C ATOM 1305 CE2 TYR A 97 -23.722 -1.163 -1.820 1.00 0.00 C ATOM 1306 CZ TYR A 97 -22.529 -0.750 -1.265 1.00 0.00 C ATOM 1307 OH TYR A 97 -21.415 -0.620 -2.060 1.00 0.00 O ATOM 0 H TYR A 97 -25.443 -1.020 3.702 1.00 0.00 H new ATOM 0 HA TYR A 97 -25.934 0.943 1.592 1.00 0.00 H new ATOM 0 HB2 TYR A 97 -25.882 -2.050 1.838 1.00 0.00 H new ATOM 0 HB3 TYR A 97 -26.872 -1.343 0.576 1.00 0.00 H new ATOM 0 HD1 TYR A 97 -23.500 -0.388 1.931 1.00 0.00 H new ATOM 0 HD2 TYR A 97 -25.772 -1.619 -1.456 1.00 0.00 H new ATOM 0 HE1 TYR A 97 -21.514 -0.142 0.512 1.00 0.00 H new ATOM 0 HE2 TYR A 97 -23.782 -1.383 -2.876 1.00 0.00 H new ATOM 0 HH TYR A 97 -21.529 0.146 -2.661 1.00 0.00 H new ATOM 1317 N SER A 98 -28.457 0.822 1.432 1.00 0.00 N ATOM 1318 CA SER A 98 -29.897 1.016 1.540 1.00 0.00 C ATOM 1319 C SER A 98 -30.548 1.007 0.162 1.00 0.00 C ATOM 1320 O SER A 98 -30.004 1.557 -0.795 1.00 0.00 O ATOM 1321 CB SER A 98 -30.203 2.336 2.250 1.00 0.00 C ATOM 1322 OG SER A 98 -29.669 2.344 3.562 1.00 0.00 O ATOM 0 H SER A 98 -28.040 1.229 0.595 1.00 0.00 H new ATOM 0 HA SER A 98 -30.308 0.193 2.125 1.00 0.00 H new ATOM 0 HB2 SER A 98 -29.786 3.165 1.679 1.00 0.00 H new ATOM 0 HB3 SER A 98 -31.281 2.489 2.292 1.00 0.00 H new ATOM 0 HG SER A 98 -29.876 3.199 3.994 1.00 0.00 H new ATOM 1328 N CYS A 99 -31.718 0.383 0.066 1.00 0.00 N ATOM 1329 CA CYS A 99 -32.432 0.302 -1.200 1.00 0.00 C ATOM 1330 C CYS A 99 -32.972 1.667 -1.612 1.00 0.00 C ATOM 1331 O CYS A 99 -33.121 2.563 -0.781 1.00 0.00 O ATOM 1332 CB CYS A 99 -33.573 -0.709 -1.105 1.00 0.00 C ATOM 1333 SG CYS A 99 -33.030 -2.402 -0.707 1.00 0.00 S ATOM 0 H CYS A 99 -32.189 -0.072 0.848 1.00 0.00 H new ATOM 0 HA CYS A 99 -31.728 -0.031 -1.963 1.00 0.00 H new ATOM 0 HB2 CYS A 99 -34.278 -0.376 -0.343 1.00 0.00 H new ATOM 0 HB3 CYS A 99 -34.111 -0.724 -2.053 1.00 0.00 H new ATOM 1338 N ASN A 100 -33.251 1.824 -2.903 1.00 0.00 N ATOM 1339 CA ASN A 100 -33.771 3.089 -3.421 1.00 0.00 C ATOM 1340 C ASN A 100 -35.298 3.087 -3.454 1.00 0.00 C ATOM 1341 O ASN A 100 -35.947 3.526 -2.505 1.00 0.00 O ATOM 1342 CB ASN A 100 -33.214 3.393 -4.821 1.00 0.00 C ATOM 1343 CG ASN A 100 -32.903 2.149 -5.634 1.00 0.00 C ATOM 1344 OD1 ASN A 100 -33.697 1.210 -5.679 1.00 0.00 O ATOM 1345 ND2 ASN A 100 -31.743 2.140 -6.282 1.00 0.00 N ATOM 0 H ASN A 100 -33.127 1.097 -3.607 1.00 0.00 H new ATOM 0 HA ASN A 100 -33.440 3.874 -2.742 1.00 0.00 H new ATOM 0 HB2 ASN A 100 -33.935 4.002 -5.366 1.00 0.00 H new ATOM 0 HB3 ASN A 100 -32.306 3.988 -4.721 1.00 0.00 H new ATOM 0 HD21 ASN A 100 -31.480 1.332 -6.846 1.00 0.00 H new ATOM 0 HD22 ASN A 100 -31.116 2.941 -6.216 1.00 0.00 H new ATOM 1352 N SER A 101 -35.866 2.593 -4.551 1.00 0.00 N ATOM 1353 CA SER A 101 -37.318 2.552 -4.717 1.00 0.00 C ATOM 1354 C SER A 101 -38.016 2.058 -3.451 1.00 0.00 C ATOM 1355 O SER A 101 -39.131 2.479 -3.142 1.00 0.00 O ATOM 1356 CB SER A 101 -37.689 1.652 -5.897 1.00 0.00 C ATOM 1357 OG SER A 101 -38.929 2.038 -6.464 1.00 0.00 O ATOM 0 H SER A 101 -35.342 2.215 -5.340 1.00 0.00 H new ATOM 0 HA SER A 101 -37.656 3.569 -4.914 1.00 0.00 H new ATOM 0 HB2 SER A 101 -36.908 1.702 -6.656 1.00 0.00 H new ATOM 0 HB3 SER A 101 -37.745 0.616 -5.564 1.00 0.00 H new ATOM 0 HG SER A 101 -39.142 1.448 -7.217 1.00 0.00 H new ATOM 1363 N GLY A 102 -37.360 1.156 -2.729 1.00 0.00 N ATOM 1364 CA GLY A 102 -37.935 0.625 -1.507 1.00 0.00 C ATOM 1365 C GLY A 102 -37.832 -0.885 -1.424 1.00 0.00 C ATOM 1366 O GLY A 102 -38.764 -1.555 -0.979 1.00 0.00 O ATOM 0 H GLY A 102 -36.441 0.783 -2.968 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -37.429 1.068 -0.649 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -38.983 0.918 -1.445 1.00 0.00 H new ATOM 1370 N TYR A 103 -36.692 -1.418 -1.847 1.00 0.00 N ATOM 1371 CA TYR A 103 -36.458 -2.854 -1.819 1.00 0.00 C ATOM 1372 C TYR A 103 -36.012 -3.302 -0.433 1.00 0.00 C ATOM 1373 O TYR A 103 -36.020 -2.519 0.516 1.00 0.00 O ATOM 1374 CB TYR A 103 -35.403 -3.227 -2.862 1.00 0.00 C ATOM 1375 CG TYR A 103 -35.962 -3.358 -4.259 1.00 0.00 C ATOM 1376 CD1 TYR A 103 -36.044 -2.257 -5.101 1.00 0.00 C ATOM 1377 CD2 TYR A 103 -36.422 -4.582 -4.731 1.00 0.00 C ATOM 1378 CE1 TYR A 103 -36.560 -2.372 -6.378 1.00 0.00 C ATOM 1379 CE2 TYR A 103 -36.938 -4.705 -6.007 1.00 0.00 C ATOM 1380 CZ TYR A 103 -37.007 -3.597 -6.825 1.00 0.00 C ATOM 1381 OH TYR A 103 -37.521 -3.716 -8.096 1.00 0.00 O ATOM 0 H TYR A 103 -35.912 -0.873 -2.215 1.00 0.00 H new ATOM 0 HA TYR A 103 -37.392 -3.364 -2.056 1.00 0.00 H new ATOM 0 HB2 TYR A 103 -34.619 -2.470 -2.862 1.00 0.00 H new ATOM 0 HB3 TYR A 103 -34.936 -4.169 -2.575 1.00 0.00 H new ATOM 0 HD1 TYR A 103 -35.699 -1.295 -4.752 1.00 0.00 H new ATOM 0 HD2 TYR A 103 -36.375 -5.450 -4.090 1.00 0.00 H new ATOM 0 HE1 TYR A 103 -36.613 -1.507 -7.022 1.00 0.00 H new ATOM 0 HE2 TYR A 103 -37.285 -5.664 -6.362 1.00 0.00 H new ATOM 0 HH TYR A 103 -37.790 -4.645 -8.255 1.00 0.00 H new ATOM 1391 N SER A 104 -35.631 -4.569 -0.320 1.00 0.00 N ATOM 1392 CA SER A 104 -35.187 -5.122 0.948 1.00 0.00 C ATOM 1393 C SER A 104 -33.702 -5.459 0.907 1.00 0.00 C ATOM 1394 O SER A 104 -33.284 -6.402 0.232 1.00 0.00 O ATOM 1395 CB SER A 104 -35.997 -6.373 1.296 1.00 0.00 C ATOM 1396 OG SER A 104 -37.388 -6.131 1.172 1.00 0.00 O ATOM 0 H SER A 104 -35.622 -5.232 -1.095 1.00 0.00 H new ATOM 0 HA SER A 104 -35.347 -4.368 1.718 1.00 0.00 H new ATOM 0 HB2 SER A 104 -35.707 -7.192 0.638 1.00 0.00 H new ATOM 0 HB3 SER A 104 -35.769 -6.686 2.315 1.00 0.00 H new ATOM 0 HG SER A 104 -37.883 -6.946 1.398 1.00 0.00 H new ATOM 1402 N LEU A 105 -32.914 -4.683 1.644 1.00 0.00 N ATOM 1403 CA LEU A 105 -31.473 -4.886 1.729 1.00 0.00 C ATOM 1404 C LEU A 105 -31.143 -6.358 1.934 1.00 0.00 C ATOM 1405 O LEU A 105 -31.474 -6.944 2.965 1.00 0.00 O ATOM 1406 CB LEU A 105 -30.901 -4.062 2.885 1.00 0.00 C ATOM 1407 CG LEU A 105 -29.663 -3.222 2.558 1.00 0.00 C ATOM 1408 CD1 LEU A 105 -29.832 -2.504 1.227 1.00 0.00 C ATOM 1409 CD2 LEU A 105 -28.415 -4.090 2.548 1.00 0.00 C ATOM 0 H LEU A 105 -33.256 -3.898 2.198 1.00 0.00 H new ATOM 0 HA LEU A 105 -31.024 -4.560 0.791 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -31.682 -3.396 3.252 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -30.651 -4.740 3.701 1.00 0.00 H new ATOM 0 HG LEU A 105 -29.548 -2.467 3.336 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -28.940 -1.914 1.016 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -29.978 -3.237 0.434 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -30.699 -1.846 1.276 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -27.546 -3.475 2.314 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -28.282 -4.548 3.528 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -28.521 -4.871 1.795 1.00 0.00 H new ATOM 1421 N ILE A 106 -30.511 -6.953 0.936 1.00 0.00 N ATOM 1422 CA ILE A 106 -30.133 -8.353 1.001 1.00 0.00 C ATOM 1423 C ILE A 106 -28.718 -8.490 1.555 1.00 0.00 C ATOM 1424 O ILE A 106 -27.918 -7.563 1.465 1.00 0.00 O ATOM 1425 CB ILE A 106 -30.232 -9.015 -0.389 1.00 0.00 C ATOM 1426 CG1 ILE A 106 -31.692 -9.051 -0.848 1.00 0.00 C ATOM 1427 CG2 ILE A 106 -29.650 -10.421 -0.369 1.00 0.00 C ATOM 1428 CD1 ILE A 106 -32.577 -9.905 0.031 1.00 0.00 C ATOM 0 H ILE A 106 -30.249 -6.485 0.068 1.00 0.00 H new ATOM 0 HA ILE A 106 -30.825 -8.865 1.670 1.00 0.00 H new ATOM 0 HB ILE A 106 -29.650 -8.421 -1.094 1.00 0.00 H new ATOM 0 HG12 ILE A 106 -32.084 -8.034 -0.867 1.00 0.00 H new ATOM 0 HG13 ILE A 106 -31.735 -9.428 -1.870 1.00 0.00 H new ATOM 0 HG21 ILE A 106 -29.733 -10.863 -1.362 1.00 0.00 H new ATOM 0 HG22 ILE A 106 -28.600 -10.376 -0.078 1.00 0.00 H new ATOM 0 HG23 ILE A 106 -30.199 -11.032 0.348 1.00 0.00 H new ATOM 0 HD11 ILE A 106 -33.597 -9.886 -0.352 1.00 0.00 H new ATOM 0 HD12 ILE A 106 -32.209 -10.931 0.031 1.00 0.00 H new ATOM 0 HD13 ILE A 106 -32.564 -9.515 1.049 1.00 0.00 H new ATOM 1440 N GLY A 107 -28.426 -9.638 2.149 1.00 0.00 N ATOM 1441 CA GLY A 107 -27.119 -9.846 2.738 1.00 0.00 C ATOM 1442 C GLY A 107 -26.881 -8.928 3.916 1.00 0.00 C ATOM 1443 O GLY A 107 -27.681 -8.881 4.850 1.00 0.00 O ATOM 0 H GLY A 107 -29.068 -10.426 2.234 1.00 0.00 H new ATOM 0 HA2 GLY A 107 -27.027 -10.883 3.061 1.00 0.00 H new ATOM 0 HA3 GLY A 107 -26.350 -9.677 1.984 1.00 0.00 H new ATOM 1447 N ASN A 108 -25.790 -8.180 3.859 1.00 0.00 N ATOM 1448 CA ASN A 108 -25.455 -7.238 4.920 1.00 0.00 C ATOM 1449 C ASN A 108 -25.299 -5.830 4.359 1.00 0.00 C ATOM 1450 O ASN A 108 -24.632 -5.626 3.344 1.00 0.00 O ATOM 1451 CB ASN A 108 -24.166 -7.659 5.629 1.00 0.00 C ATOM 1452 CG ASN A 108 -24.028 -9.165 5.749 1.00 0.00 C ATOM 1453 OD1 ASN A 108 -24.199 -9.732 6.829 1.00 0.00 O ATOM 1454 ND2 ASN A 108 -23.718 -9.821 4.637 1.00 0.00 N ATOM 0 H ASN A 108 -25.120 -8.206 3.090 1.00 0.00 H new ATOM 0 HA ASN A 108 -26.271 -7.241 5.642 1.00 0.00 H new ATOM 0 HB2 ASN A 108 -23.310 -7.262 5.083 1.00 0.00 H new ATOM 0 HB3 ASN A 108 -24.143 -7.216 6.625 1.00 0.00 H new ATOM 0 HD21 ASN A 108 -23.612 -10.835 4.656 1.00 0.00 H new ATOM 0 HD22 ASN A 108 -23.585 -9.311 3.764 1.00 0.00 H new ATOM 1461 N SER A 109 -25.921 -4.860 5.021 1.00 0.00 N ATOM 1462 CA SER A 109 -25.838 -3.471 4.591 1.00 0.00 C ATOM 1463 C SER A 109 -24.432 -2.927 4.813 1.00 0.00 C ATOM 1464 O SER A 109 -23.959 -2.072 4.065 1.00 0.00 O ATOM 1465 CB SER A 109 -26.862 -2.620 5.343 1.00 0.00 C ATOM 1466 OG SER A 109 -26.474 -1.259 5.370 1.00 0.00 O ATOM 0 H SER A 109 -26.487 -5.011 5.856 1.00 0.00 H new ATOM 0 HA SER A 109 -26.062 -3.425 3.525 1.00 0.00 H new ATOM 0 HB2 SER A 109 -27.837 -2.714 4.866 1.00 0.00 H new ATOM 0 HB3 SER A 109 -26.969 -2.991 6.362 1.00 0.00 H new ATOM 0 HG SER A 109 -27.085 -0.756 5.948 1.00 0.00 H new ATOM 1472 N GLY A 110 -23.759 -3.458 5.828 1.00 0.00 N ATOM 1473 CA GLY A 110 -22.410 -3.025 6.135 1.00 0.00 C ATOM 1474 C GLY A 110 -21.396 -3.486 5.105 1.00 0.00 C ATOM 1475 O GLY A 110 -21.412 -4.641 4.681 1.00 0.00 O ATOM 0 H GLY A 110 -24.126 -4.183 6.445 1.00 0.00 H new ATOM 0 HA2 GLY A 110 -22.388 -1.937 6.198 1.00 0.00 H new ATOM 0 HA3 GLY A 110 -22.125 -3.407 7.115 1.00 0.00 H new ATOM 1479 N VAL A 111 -20.508 -2.580 4.706 1.00 0.00 N ATOM 1480 CA VAL A 111 -19.470 -2.899 3.732 1.00 0.00 C ATOM 1481 C VAL A 111 -18.102 -2.470 4.243 1.00 0.00 C ATOM 1482 O VAL A 111 -17.879 -1.294 4.522 1.00 0.00 O ATOM 1483 CB VAL A 111 -19.727 -2.220 2.381 1.00 0.00 C ATOM 1484 CG1 VAL A 111 -18.915 -2.887 1.282 1.00 0.00 C ATOM 1485 CG2 VAL A 111 -21.209 -2.236 2.044 1.00 0.00 C ATOM 0 H VAL A 111 -20.487 -1.618 5.043 1.00 0.00 H new ATOM 0 HA VAL A 111 -19.493 -3.980 3.592 1.00 0.00 H new ATOM 0 HB VAL A 111 -19.408 -1.180 2.455 1.00 0.00 H new ATOM 0 HG11 VAL A 111 -19.112 -2.390 0.332 1.00 0.00 H new ATOM 0 HG12 VAL A 111 -17.853 -2.812 1.518 1.00 0.00 H new ATOM 0 HG13 VAL A 111 -19.197 -3.937 1.208 1.00 0.00 H new ATOM 0 HG21 VAL A 111 -21.369 -1.749 1.082 1.00 0.00 H new ATOM 0 HG22 VAL A 111 -21.559 -3.267 1.992 1.00 0.00 H new ATOM 0 HG23 VAL A 111 -21.764 -1.703 2.816 1.00 0.00 H new ATOM 1495 N LEU A 112 -17.188 -3.426 4.364 1.00 0.00 N ATOM 1496 CA LEU A 112 -15.848 -3.137 4.859 1.00 0.00 C ATOM 1497 C LEU A 112 -14.964 -2.551 3.764 1.00 0.00 C ATOM 1498 O LEU A 112 -14.856 -3.109 2.673 1.00 0.00 O ATOM 1499 CB LEU A 112 -15.199 -4.409 5.416 1.00 0.00 C ATOM 1500 CG LEU A 112 -13.700 -4.308 5.707 1.00 0.00 C ATOM 1501 CD1 LEU A 112 -12.918 -4.531 4.431 1.00 0.00 C ATOM 1502 CD2 LEU A 112 -13.350 -2.963 6.329 1.00 0.00 C ATOM 0 H LEU A 112 -17.350 -4.405 4.127 1.00 0.00 H new ATOM 0 HA LEU A 112 -15.944 -2.399 5.655 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -15.713 -4.685 6.337 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -15.360 -5.220 4.705 1.00 0.00 H new ATOM 0 HG LEU A 112 -13.432 -5.080 6.428 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -11.851 -4.459 4.641 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -13.143 -5.521 4.034 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -13.196 -3.774 3.697 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -12.279 -2.920 6.525 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -13.626 -2.162 5.643 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -13.895 -2.842 7.265 1.00 0.00 H new ATOM 1514 N CYS A 113 -14.303 -1.442 4.080 1.00 0.00 N ATOM 1515 CA CYS A 113 -13.384 -0.809 3.150 1.00 0.00 C ATOM 1516 C CYS A 113 -11.946 -1.127 3.538 1.00 0.00 C ATOM 1517 O CYS A 113 -11.421 -0.565 4.502 1.00 0.00 O ATOM 1518 CB CYS A 113 -13.576 0.705 3.147 1.00 0.00 C ATOM 1519 SG CYS A 113 -12.362 1.601 2.125 1.00 0.00 S ATOM 0 H CYS A 113 -14.389 -0.964 4.977 1.00 0.00 H new ATOM 0 HA CYS A 113 -13.591 -1.197 2.153 1.00 0.00 H new ATOM 0 HB2 CYS A 113 -14.579 0.934 2.786 1.00 0.00 H new ATOM 0 HB3 CYS A 113 -13.514 1.071 4.172 1.00 0.00 H new ATOM 1524 N SER A 114 -11.316 -2.032 2.799 1.00 0.00 N ATOM 1525 CA SER A 114 -9.942 -2.420 3.093 1.00 0.00 C ATOM 1526 C SER A 114 -9.213 -2.905 1.844 1.00 0.00 C ATOM 1527 O SER A 114 -9.643 -3.855 1.190 1.00 0.00 O ATOM 1528 CB SER A 114 -9.920 -3.513 4.164 1.00 0.00 C ATOM 1529 OG SER A 114 -10.035 -4.799 3.583 1.00 0.00 O ATOM 0 H SER A 114 -11.731 -2.508 1.998 1.00 0.00 H new ATOM 0 HA SER A 114 -9.422 -1.536 3.463 1.00 0.00 H new ATOM 0 HB2 SER A 114 -8.993 -3.450 4.734 1.00 0.00 H new ATOM 0 HB3 SER A 114 -10.738 -3.354 4.867 1.00 0.00 H new ATOM 0 HG SER A 114 -10.177 -4.710 2.617 1.00 0.00 H new ATOM 1535 N GLY A 115 -8.093 -2.257 1.535 1.00 0.00 N ATOM 1536 CA GLY A 115 -7.305 -2.643 0.378 1.00 0.00 C ATOM 1537 C GLY A 115 -7.668 -1.857 -0.865 1.00 0.00 C ATOM 1538 O GLY A 115 -7.367 -2.278 -1.982 1.00 0.00 O ATOM 0 H GLY A 115 -7.717 -1.471 2.066 1.00 0.00 H new ATOM 0 HA2 GLY A 115 -6.248 -2.498 0.599 1.00 0.00 H new ATOM 0 HA3 GLY A 115 -7.447 -3.706 0.185 1.00 0.00 H new ATOM 1542 N GLY A 116 -8.304 -0.708 -0.672 1.00 0.00 N ATOM 1543 CA GLY A 116 -8.710 0.108 -1.798 1.00 0.00 C ATOM 1544 C GLY A 116 -10.015 -0.358 -2.416 1.00 0.00 C ATOM 1545 O GLY A 116 -10.508 0.247 -3.367 1.00 0.00 O ATOM 0 H GLY A 116 -8.545 -0.328 0.243 1.00 0.00 H new ATOM 0 HA2 GLY A 116 -8.816 1.143 -1.473 1.00 0.00 H new ATOM 0 HA3 GLY A 116 -7.927 0.090 -2.556 1.00 0.00 H new ATOM 1549 N GLU A 117 -10.579 -1.436 -1.874 1.00 0.00 N ATOM 1550 CA GLU A 117 -11.837 -1.969 -2.371 1.00 0.00 C ATOM 1551 C GLU A 117 -12.798 -2.226 -1.218 1.00 0.00 C ATOM 1552 O GLU A 117 -12.484 -1.949 -0.061 1.00 0.00 O ATOM 1553 CB GLU A 117 -11.596 -3.261 -3.152 1.00 0.00 C ATOM 1554 CG GLU A 117 -11.179 -3.028 -4.595 1.00 0.00 C ATOM 1555 CD GLU A 117 -11.903 -3.939 -5.565 1.00 0.00 C ATOM 1556 OE1 GLU A 117 -11.579 -5.145 -5.603 1.00 0.00 O ATOM 1557 OE2 GLU A 117 -12.794 -3.447 -6.290 1.00 0.00 O ATOM 0 H GLU A 117 -10.181 -1.954 -1.091 1.00 0.00 H new ATOM 0 HA GLU A 117 -12.283 -1.233 -3.040 1.00 0.00 H new ATOM 0 HB2 GLU A 117 -10.824 -3.842 -2.648 1.00 0.00 H new ATOM 0 HB3 GLU A 117 -12.506 -3.860 -3.137 1.00 0.00 H new ATOM 0 HG2 GLU A 117 -11.374 -1.990 -4.863 1.00 0.00 H new ATOM 0 HG3 GLU A 117 -10.104 -3.184 -4.689 1.00 0.00 H new ATOM 1564 N TRP A 118 -13.964 -2.764 -1.540 1.00 0.00 N ATOM 1565 CA TRP A 118 -14.980 -3.041 -0.541 1.00 0.00 C ATOM 1566 C TRP A 118 -15.320 -4.525 -0.504 1.00 0.00 C ATOM 1567 O TRP A 118 -15.101 -5.247 -1.477 1.00 0.00 O ATOM 1568 CB TRP A 118 -16.226 -2.227 -0.851 1.00 0.00 C ATOM 1569 CG TRP A 118 -16.018 -0.752 -0.710 1.00 0.00 C ATOM 1570 CD1 TRP A 118 -15.522 0.100 -1.655 1.00 0.00 C ATOM 1571 CD2 TRP A 118 -16.305 0.048 0.440 1.00 0.00 C ATOM 1572 NE1 TRP A 118 -15.489 1.381 -1.163 1.00 0.00 N ATOM 1573 CE2 TRP A 118 -15.962 1.373 0.122 1.00 0.00 C ATOM 1574 CE3 TRP A 118 -16.818 -0.229 1.710 1.00 0.00 C ATOM 1575 CZ2 TRP A 118 -16.115 2.419 1.024 1.00 0.00 C ATOM 1576 CZ3 TRP A 118 -16.973 0.812 2.606 1.00 0.00 C ATOM 1577 CH2 TRP A 118 -16.620 2.122 2.259 1.00 0.00 C ATOM 0 H TRP A 118 -14.230 -3.018 -2.491 1.00 0.00 H new ATOM 0 HA TRP A 118 -14.593 -2.761 0.439 1.00 0.00 H new ATOM 0 HB2 TRP A 118 -16.551 -2.446 -1.868 1.00 0.00 H new ATOM 0 HB3 TRP A 118 -17.031 -2.539 -0.185 1.00 0.00 H new ATOM 0 HD1 TRP A 118 -15.202 -0.191 -2.645 1.00 0.00 H new ATOM 0 HE1 TRP A 118 -15.165 2.204 -1.671 1.00 0.00 H new ATOM 0 HE3 TRP A 118 -17.088 -1.237 1.986 1.00 0.00 H new ATOM 0 HZ2 TRP A 118 -15.845 3.430 0.759 1.00 0.00 H new ATOM 0 HZ3 TRP A 118 -17.373 0.612 3.589 1.00 0.00 H new ATOM 0 HH2 TRP A 118 -16.749 2.914 2.982 1.00 0.00 H new ATOM 1588 N SER A 119 -15.855 -4.976 0.624 1.00 0.00 N ATOM 1589 CA SER A 119 -16.221 -6.377 0.785 1.00 0.00 C ATOM 1590 C SER A 119 -17.556 -6.521 1.505 1.00 0.00 C ATOM 1591 O SER A 119 -17.946 -5.663 2.298 1.00 0.00 O ATOM 1592 CB SER A 119 -15.136 -7.126 1.552 1.00 0.00 C ATOM 1593 OG SER A 119 -14.043 -6.277 1.856 1.00 0.00 O ATOM 0 H SER A 119 -16.045 -4.393 1.439 1.00 0.00 H new ATOM 0 HA SER A 119 -16.320 -6.810 -0.210 1.00 0.00 H new ATOM 0 HB2 SER A 119 -15.553 -7.531 2.474 1.00 0.00 H new ATOM 0 HB3 SER A 119 -14.788 -7.973 0.961 1.00 0.00 H new ATOM 0 HG SER A 119 -13.300 -6.813 2.204 1.00 0.00 H new ATOM 1599 N ASP A 120 -18.248 -7.617 1.219 1.00 0.00 N ATOM 1600 CA ASP A 120 -19.535 -7.903 1.840 1.00 0.00 C ATOM 1601 C ASP A 120 -20.630 -6.948 1.362 1.00 0.00 C ATOM 1602 O ASP A 120 -21.422 -6.456 2.165 1.00 0.00 O ATOM 1603 CB ASP A 120 -19.410 -7.824 3.360 1.00 0.00 C ATOM 1604 CG ASP A 120 -20.092 -8.984 4.058 1.00 0.00 C ATOM 1605 OD1 ASP A 120 -21.339 -9.046 4.025 1.00 0.00 O ATOM 1606 OD2 ASP A 120 -19.379 -9.832 4.634 1.00 0.00 O ATOM 0 H ASP A 120 -17.936 -8.327 0.556 1.00 0.00 H new ATOM 0 HA ASP A 120 -19.823 -8.912 1.543 1.00 0.00 H new ATOM 0 HB2 ASP A 120 -18.355 -7.808 3.635 1.00 0.00 H new ATOM 0 HB3 ASP A 120 -19.845 -6.887 3.709 1.00 0.00 H new ATOM 1611 N PRO A 121 -20.718 -6.699 0.042 1.00 0.00 N ATOM 1612 CA PRO A 121 -21.747 -5.826 -0.524 1.00 0.00 C ATOM 1613 C PRO A 121 -23.102 -6.529 -0.610 1.00 0.00 C ATOM 1614 O PRO A 121 -23.176 -7.701 -0.978 1.00 0.00 O ATOM 1615 CB PRO A 121 -21.212 -5.519 -1.920 1.00 0.00 C ATOM 1616 CG PRO A 121 -20.418 -6.727 -2.284 1.00 0.00 C ATOM 1617 CD PRO A 121 -19.830 -7.249 -0.998 1.00 0.00 C ATOM 0 HA PRO A 121 -21.921 -4.937 0.083 1.00 0.00 H new ATOM 0 HB2 PRO A 121 -22.023 -5.348 -2.628 1.00 0.00 H new ATOM 0 HB3 PRO A 121 -20.594 -4.621 -1.921 1.00 0.00 H new ATOM 0 HG2 PRO A 121 -21.049 -7.479 -2.757 1.00 0.00 H new ATOM 0 HG3 PRO A 121 -19.633 -6.476 -2.997 1.00 0.00 H new ATOM 0 HD2 PRO A 121 -19.816 -8.339 -0.977 1.00 0.00 H new ATOM 0 HD3 PRO A 121 -18.801 -6.915 -0.864 1.00 0.00 H new ATOM 1625 N PRO A 122 -24.195 -5.826 -0.270 1.00 0.00 N ATOM 1626 CA PRO A 122 -25.536 -6.397 -0.282 1.00 0.00 C ATOM 1627 C PRO A 122 -26.260 -6.211 -1.601 1.00 0.00 C ATOM 1628 O PRO A 122 -25.692 -5.743 -2.587 1.00 0.00 O ATOM 1629 CB PRO A 122 -26.252 -5.602 0.803 1.00 0.00 C ATOM 1630 CG PRO A 122 -25.570 -4.268 0.829 1.00 0.00 C ATOM 1631 CD PRO A 122 -24.208 -4.433 0.198 1.00 0.00 C ATOM 0 HA PRO A 122 -25.507 -7.475 -0.126 1.00 0.00 H new ATOM 0 HB2 PRO A 122 -27.313 -5.497 0.578 1.00 0.00 H new ATOM 0 HB3 PRO A 122 -26.178 -6.101 1.770 1.00 0.00 H new ATOM 0 HG2 PRO A 122 -26.156 -3.529 0.284 1.00 0.00 H new ATOM 0 HG3 PRO A 122 -25.475 -3.907 1.853 1.00 0.00 H new ATOM 0 HD2 PRO A 122 -24.063 -3.734 -0.626 1.00 0.00 H new ATOM 0 HD3 PRO A 122 -23.410 -4.247 0.917 1.00 0.00 H new ATOM 1639 N THR A 123 -27.535 -6.563 -1.585 1.00 0.00 N ATOM 1640 CA THR A 123 -28.399 -6.414 -2.745 1.00 0.00 C ATOM 1641 C THR A 123 -29.702 -5.745 -2.335 1.00 0.00 C ATOM 1642 O THR A 123 -29.814 -5.213 -1.231 1.00 0.00 O ATOM 1643 CB THR A 123 -28.684 -7.776 -3.382 1.00 0.00 C ATOM 1644 OG1 THR A 123 -27.770 -8.751 -2.911 1.00 0.00 O ATOM 1645 CG2 THR A 123 -28.602 -7.759 -4.893 1.00 0.00 C ATOM 0 H THR A 123 -28.000 -6.960 -0.769 1.00 0.00 H new ATOM 0 HA THR A 123 -27.892 -5.790 -3.481 1.00 0.00 H new ATOM 0 HB THR A 123 -29.706 -8.022 -3.094 1.00 0.00 H new ATOM 0 HG1 THR A 123 -27.969 -9.615 -3.328 1.00 0.00 H new ATOM 0 HG21 THR A 123 -28.815 -8.756 -5.280 1.00 0.00 H new ATOM 0 HG22 THR A 123 -29.332 -7.053 -5.289 1.00 0.00 H new ATOM 0 HG23 THR A 123 -27.601 -7.457 -5.200 1.00 0.00 H new ATOM 1653 N CYS A 124 -30.687 -5.778 -3.218 1.00 0.00 N ATOM 1654 CA CYS A 124 -31.980 -5.182 -2.924 1.00 0.00 C ATOM 1655 C CYS A 124 -33.096 -5.939 -3.627 1.00 0.00 C ATOM 1656 O CYS A 124 -33.414 -5.670 -4.785 1.00 0.00 O ATOM 1657 CB CYS A 124 -31.993 -3.710 -3.331 1.00 0.00 C ATOM 1658 SG CYS A 124 -31.314 -2.596 -2.060 1.00 0.00 S ATOM 0 H CYS A 124 -30.617 -6.209 -4.140 1.00 0.00 H new ATOM 0 HA CYS A 124 -32.150 -5.247 -1.849 1.00 0.00 H new ATOM 0 HB2 CYS A 124 -31.420 -3.591 -4.250 1.00 0.00 H new ATOM 0 HB3 CYS A 124 -33.018 -3.412 -3.553 1.00 0.00 H new ATOM 1663 N GLN A 125 -33.671 -6.903 -2.920 1.00 0.00 N ATOM 1664 CA GLN A 125 -34.748 -7.710 -3.465 1.00 0.00 C ATOM 1665 C GLN A 125 -36.019 -7.524 -2.651 1.00 0.00 C ATOM 1666 O GLN A 125 -35.984 -7.016 -1.531 1.00 0.00 O ATOM 1667 CB GLN A 125 -34.350 -9.186 -3.483 1.00 0.00 C ATOM 1668 CG GLN A 125 -33.652 -9.609 -4.764 1.00 0.00 C ATOM 1669 CD GLN A 125 -32.792 -10.845 -4.583 1.00 0.00 C ATOM 1670 OE1 GLN A 125 -33.106 -11.721 -3.778 1.00 0.00 O ATOM 1671 NE2 GLN A 125 -31.700 -10.921 -5.335 1.00 0.00 N ATOM 0 H GLN A 125 -33.406 -7.144 -1.965 1.00 0.00 H new ATOM 0 HA GLN A 125 -34.937 -7.383 -4.487 1.00 0.00 H new ATOM 0 HB2 GLN A 125 -33.693 -9.387 -2.637 1.00 0.00 H new ATOM 0 HB3 GLN A 125 -35.242 -9.797 -3.346 1.00 0.00 H new ATOM 0 HG2 GLN A 125 -34.400 -9.801 -5.533 1.00 0.00 H new ATOM 0 HG3 GLN A 125 -33.030 -8.788 -5.122 1.00 0.00 H new ATOM 0 HE21 GLN A 125 -31.478 -10.171 -5.990 1.00 0.00 H new ATOM 0 HE22 GLN A 125 -31.083 -11.730 -5.258 1.00 0.00 H new ATOM 1680 N ILE A 126 -37.138 -7.934 -3.224 1.00 0.00 N ATOM 1681 CA ILE A 126 -38.424 -7.810 -2.556 1.00 0.00 C ATOM 1682 C ILE A 126 -38.751 -9.072 -1.763 1.00 0.00 C ATOM 1683 O ILE A 126 -39.717 -9.775 -2.062 1.00 0.00 O ATOM 1684 CB ILE A 126 -39.550 -7.532 -3.567 1.00 0.00 C ATOM 1685 CG1 ILE A 126 -39.248 -6.253 -4.352 1.00 0.00 C ATOM 1686 CG2 ILE A 126 -40.894 -7.428 -2.861 1.00 0.00 C ATOM 1687 CD1 ILE A 126 -39.477 -4.982 -3.563 1.00 0.00 C ATOM 0 H ILE A 126 -37.183 -8.356 -4.151 1.00 0.00 H new ATOM 0 HA ILE A 126 -38.353 -6.967 -1.869 1.00 0.00 H new ATOM 0 HB ILE A 126 -39.603 -8.365 -4.268 1.00 0.00 H new ATOM 0 HG12 ILE A 126 -38.211 -6.280 -4.686 1.00 0.00 H new ATOM 0 HG13 ILE A 126 -39.871 -6.231 -5.246 1.00 0.00 H new ATOM 0 HG21 ILE A 126 -41.676 -7.231 -3.594 1.00 0.00 H new ATOM 0 HG22 ILE A 126 -41.107 -8.364 -2.345 1.00 0.00 H new ATOM 0 HG23 ILE A 126 -40.863 -6.614 -2.137 1.00 0.00 H new ATOM 0 HD11 ILE A 126 -39.242 -4.119 -4.186 1.00 0.00 H new ATOM 0 HD12 ILE A 126 -40.520 -4.930 -3.251 1.00 0.00 H new ATOM 0 HD13 ILE A 126 -38.834 -4.980 -2.683 1.00 0.00 H new