USER MOD reduce.3.24.130724 H: found=0, std=0, add=1017, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 1018 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 99 ASN : amide:sc= -2.09 K(o=-5.4,f=-6.6) USER MOD Set 1.2: A 102 MET CE :methyl -159:sc= -3.3! (180deg=-3.94!) USER MOD Set 2.1: A 51 THR OG1 : rot 129:sc= 0.606 USER MOD Set 2.2: A 97 MET CE :methyl 134:sc= -0.248 (180deg=-1.72) USER MOD Set 3.1: A 28 THR OG1 : rot 180:sc= 0 USER MOD Set 3.2: A 39 THR OG1 : rot 180:sc= 0 USER MOD Set 4.1: A 13 SER OG : rot 79:sc= 1.1 USER MOD Set 4.2: A 32 THR OG1 : rot -140:sc= 1.13 USER MOD Single : A 2 SER OG : rot 37:sc= 1.26 USER MOD Single : A 3 HIS : no HD1:sc= -1.54 K(o=-1.5,f=-3.5!) USER MOD Single : A 4 SER OG : rot 39:sc= 0.417 USER MOD Single : A 11 LYS NZ :NH3+ -171:sc= -0.0107 (180deg=-0.138) USER MOD Single : A 19 ASN : amide:sc= 0.0625 K(o=0.063,f=-2.2!) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 47:sc= -0.0275 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 HIS :FLIP no HD1:sc= -3.53! C(o=-4.8!,f=-3.5!) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 0 K(o=0,f=-3.4!) USER MOD Single : A 54 SER OG : rot -160:sc= -0.579 USER MOD Single : A 55 SER OG : rot 180:sc= -0.54 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 MET CE :methyl 166:sc= -2.87! (180deg=-3.61!) USER MOD Single : A 59 MET CE :methyl -128:sc= -4.47! (180deg=-9.36!) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ -164:sc= -0.121 (180deg=-0.453) USER MOD Single : A 73 LYS NZ :NH3+ -139:sc= 0.356 (180deg=-2.09!) USER MOD Single : A 75 ASN : amide:sc= -0.186 X(o=-0.19,f=-0.00012) USER MOD Single : A 78 ASN : amide:sc= -0.451 X(o=-0.45,f=0) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 GLN : amide:sc= -0.141 X(o=-0.14,f=0) USER MOD Single : A 87 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 88 MET CE :methyl 168:sc= -4.85! (180deg=-5.18!) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 92 ASN : amide:sc= -0.0197 K(o=-0.02,f=-0.89) USER MOD Single : A 93 ASN : amide:sc= -1.29 X(o=-1.3,f=-1.7) USER MOD Single : A 95 THR OG1 : rot 180:sc= 0.0946 USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 THR OG1 : rot 168:sc= 0.988 USER MOD Single : A 105 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 106 GLN : amide:sc= 0 K(o=0,f=-0.97) USER MOD Single : A 109 SER OG : rot 96:sc= 1.26 USER MOD Single : A 111 TYR OH : rot 120:sc= 0.049 USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 46 SER OG : rot 180:sc= -1.2 USER MOD Single : B 52 GLN : amide:sc= -0.203 X(o=-0.2,f=0) USER MOD Single : B 55 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 1 -14.720 -4.286 11.659 1.00 0.00 N ATOM 2 CA PRO A 1 -13.399 -4.801 11.251 1.00 0.00 C ATOM 3 C PRO A 1 -12.262 -4.099 11.993 1.00 0.00 C ATOM 4 O PRO A 1 -12.500 -3.256 12.857 1.00 0.00 O ATOM 5 CB PRO A 1 -13.289 -4.566 9.751 1.00 0.00 C ATOM 6 CG PRO A 1 -14.699 -4.314 9.306 1.00 0.00 C ATOM 7 CD PRO A 1 -15.447 -3.748 10.498 1.00 0.00 C ATOM 0 H2 PRO A 1 -14.604 -3.556 12.362 1.00 0.00 H new ATOM 0 H3 PRO A 1 -15.264 -5.033 12.091 1.00 0.00 H new ATOM 0 HA PRO A 1 -13.312 -5.859 11.497 1.00 0.00 H new ATOM 0 HB2 PRO A 1 -12.645 -3.715 9.529 1.00 0.00 H new ATOM 0 HB3 PRO A 1 -12.861 -5.431 9.244 1.00 0.00 H new ATOM 0 HG2 PRO A 1 -14.720 -3.615 8.470 1.00 0.00 H new ATOM 0 HG3 PRO A 1 -15.165 -5.237 8.961 1.00 0.00 H new ATOM 0 HD2 PRO A 1 -15.441 -2.658 10.493 1.00 0.00 H new ATOM 0 HD3 PRO A 1 -16.491 -4.061 10.500 1.00 0.00 H new ATOM 17 N SER A 2 -11.030 -4.458 11.650 1.00 0.00 N ATOM 18 CA SER A 2 -9.856 -3.867 12.284 1.00 0.00 C ATOM 19 C SER A 2 -8.572 -4.411 11.669 1.00 0.00 C ATOM 20 O SER A 2 -7.602 -3.675 11.477 1.00 0.00 O ATOM 21 CB SER A 2 -9.870 -4.144 13.789 1.00 0.00 C ATOM 22 OG SER A 2 -10.562 -3.122 14.488 1.00 0.00 O ATOM 0 H SER A 2 -10.818 -5.155 10.937 1.00 0.00 H new ATOM 0 HA SER A 2 -9.889 -2.790 12.118 1.00 0.00 H new ATOM 0 HB2 SER A 2 -10.345 -5.106 13.981 1.00 0.00 H new ATOM 0 HB3 SER A 2 -8.847 -4.214 14.159 1.00 0.00 H new ATOM 0 HG SER A 2 -11.329 -2.823 13.956 1.00 0.00 H new ATOM 28 N HIS A 3 -8.568 -5.703 11.367 1.00 0.00 N ATOM 29 CA HIS A 3 -7.399 -6.347 10.780 1.00 0.00 C ATOM 30 C HIS A 3 -7.800 -7.249 9.619 1.00 0.00 C ATOM 31 O HIS A 3 -7.200 -8.301 9.392 1.00 0.00 O ATOM 32 CB HIS A 3 -6.655 -7.142 11.849 1.00 0.00 C ATOM 33 CG HIS A 3 -6.223 -6.291 13.000 1.00 0.00 C ATOM 34 ND1 HIS A 3 -7.091 -5.853 13.977 1.00 0.00 N ATOM 35 CD2 HIS A 3 -5.013 -5.772 13.313 1.00 0.00 C ATOM 36 CE1 HIS A 3 -6.437 -5.101 14.841 1.00 0.00 C ATOM 37 NE2 HIS A 3 -5.172 -5.037 14.464 1.00 0.00 N ATOM 0 H HIS A 3 -9.361 -6.326 11.519 1.00 0.00 H new ATOM 0 HA HIS A 3 -6.736 -5.576 10.388 1.00 0.00 H new ATOM 0 HB2 HIS A 3 -7.298 -7.943 12.215 1.00 0.00 H new ATOM 0 HB3 HIS A 3 -5.780 -7.615 11.402 1.00 0.00 H new ATOM 0 HD2 HIS A 3 -4.094 -5.909 12.762 1.00 0.00 H new ATOM 0 HE1 HIS A 3 -6.863 -4.619 15.709 1.00 0.00 H new ATOM 0 HE2 HIS A 3 -4.434 -4.526 14.948 1.00 0.00 H new ATOM 46 N SER A 4 -8.813 -6.815 8.879 1.00 0.00 N ATOM 47 CA SER A 4 -9.302 -7.559 7.724 1.00 0.00 C ATOM 48 C SER A 4 -10.442 -6.818 7.044 1.00 0.00 C ATOM 49 O SER A 4 -11.517 -6.644 7.619 1.00 0.00 O ATOM 50 CB SER A 4 -9.763 -8.962 8.115 1.00 0.00 C ATOM 51 OG SER A 4 -10.747 -8.911 9.135 1.00 0.00 O ATOM 0 H SER A 4 -9.315 -5.946 9.060 1.00 0.00 H new ATOM 0 HA SER A 4 -8.470 -7.651 7.026 1.00 0.00 H new ATOM 0 HB2 SER A 4 -10.167 -9.472 7.241 1.00 0.00 H new ATOM 0 HB3 SER A 4 -8.909 -9.546 8.458 1.00 0.00 H new ATOM 0 HG SER A 4 -11.346 -8.152 8.974 1.00 0.00 H new ATOM 57 N GLY A 5 -10.202 -6.391 5.814 1.00 0.00 N ATOM 58 CA GLY A 5 -11.212 -5.679 5.064 1.00 0.00 C ATOM 59 C GLY A 5 -11.137 -5.982 3.585 1.00 0.00 C ATOM 60 O GLY A 5 -10.163 -5.621 2.925 1.00 0.00 O ATOM 0 H GLY A 5 -9.320 -6.527 5.320 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -12.199 -5.948 5.440 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -11.092 -4.607 5.221 1.00 0.00 H new ATOM 64 N ALA A 6 -12.167 -6.652 3.067 1.00 0.00 N ATOM 65 CA ALA A 6 -12.226 -7.016 1.648 1.00 0.00 C ATOM 66 C ALA A 6 -11.542 -5.968 0.778 1.00 0.00 C ATOM 67 O ALA A 6 -11.908 -4.794 0.803 1.00 0.00 O ATOM 68 CB ALA A 6 -13.670 -7.207 1.216 1.00 0.00 C ATOM 0 H ALA A 6 -12.975 -6.955 3.610 1.00 0.00 H new ATOM 0 HA ALA A 6 -11.690 -7.956 1.517 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -13.701 -7.477 0.160 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -14.125 -8.002 1.808 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -14.221 -6.279 1.370 1.00 0.00 H new ATOM 74 N ALA A 7 -10.528 -6.392 0.030 1.00 0.00 N ATOM 75 CA ALA A 7 -9.784 -5.467 -0.824 1.00 0.00 C ATOM 76 C ALA A 7 -9.489 -6.061 -2.198 1.00 0.00 C ATOM 77 O ALA A 7 -9.326 -7.271 -2.340 1.00 0.00 O ATOM 78 CB ALA A 7 -8.483 -5.063 -0.137 1.00 0.00 C ATOM 0 H ALA A 7 -10.204 -7.359 -0.004 1.00 0.00 H new ATOM 0 HA ALA A 7 -10.408 -4.587 -0.979 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -7.932 -4.374 -0.777 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -8.709 -4.576 0.812 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -7.877 -5.951 0.046 1.00 0.00 H new ATOM 84 N ILE A 8 -9.403 -5.198 -3.208 1.00 0.00 N ATOM 85 CA ILE A 8 -9.108 -5.641 -4.566 1.00 0.00 C ATOM 86 C ILE A 8 -7.634 -5.457 -4.874 1.00 0.00 C ATOM 87 O ILE A 8 -7.093 -4.358 -4.760 1.00 0.00 O ATOM 88 CB ILE A 8 -9.956 -4.893 -5.621 1.00 0.00 C ATOM 89 CG1 ILE A 8 -11.336 -5.533 -5.719 1.00 0.00 C ATOM 90 CG2 ILE A 8 -9.287 -4.877 -6.991 1.00 0.00 C ATOM 91 CD1 ILE A 8 -12.441 -4.630 -5.252 1.00 0.00 C ATOM 0 H ILE A 8 -9.533 -4.191 -3.111 1.00 0.00 H new ATOM 0 HA ILE A 8 -9.365 -6.699 -4.619 1.00 0.00 H new ATOM 0 HB ILE A 8 -10.051 -3.857 -5.295 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -11.523 -5.821 -6.754 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -11.348 -6.448 -5.126 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -9.920 -4.341 -7.699 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -8.321 -4.378 -6.918 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -9.142 -5.900 -7.337 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -13.397 -5.145 -5.348 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -12.276 -4.363 -4.208 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -12.454 -3.726 -5.861 1.00 0.00 H new ATOM 103 N PHE A 9 -6.994 -6.540 -5.270 1.00 0.00 N ATOM 104 CA PHE A 9 -5.574 -6.498 -5.606 1.00 0.00 C ATOM 105 C PHE A 9 -5.350 -6.818 -7.078 1.00 0.00 C ATOM 106 O PHE A 9 -5.869 -7.806 -7.595 1.00 0.00 O ATOM 107 CB PHE A 9 -4.783 -7.472 -4.734 1.00 0.00 C ATOM 108 CG PHE A 9 -3.296 -7.276 -4.825 1.00 0.00 C ATOM 109 CD1 PHE A 9 -2.739 -6.018 -4.654 1.00 0.00 C ATOM 110 CD2 PHE A 9 -2.456 -8.347 -5.086 1.00 0.00 C ATOM 111 CE1 PHE A 9 -1.373 -5.832 -4.739 1.00 0.00 C ATOM 112 CE2 PHE A 9 -1.089 -8.167 -5.174 1.00 0.00 C ATOM 113 CZ PHE A 9 -0.547 -6.909 -4.999 1.00 0.00 C ATOM 0 H PHE A 9 -7.427 -7.458 -5.368 1.00 0.00 H new ATOM 0 HA PHE A 9 -5.218 -5.486 -5.415 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -5.095 -7.356 -3.696 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -5.027 -8.493 -5.028 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -3.381 -5.173 -4.452 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -2.875 -9.333 -5.222 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -0.951 -4.847 -4.603 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -0.445 -9.009 -5.379 1.00 0.00 H new ATOM 0 HZ PHE A 9 0.522 -6.767 -5.065 1.00 0.00 H new ATOM 123 N GLU A 10 -4.572 -5.975 -7.752 1.00 0.00 N ATOM 124 CA GLU A 10 -4.282 -6.171 -9.167 1.00 0.00 C ATOM 125 C GLU A 10 -5.565 -6.199 -9.983 1.00 0.00 C ATOM 126 O GLU A 10 -5.666 -6.928 -10.969 1.00 0.00 O ATOM 127 CB GLU A 10 -3.506 -7.473 -9.372 1.00 0.00 C ATOM 128 CG GLU A 10 -2.244 -7.564 -8.530 1.00 0.00 C ATOM 129 CD GLU A 10 -1.447 -8.825 -8.806 1.00 0.00 C ATOM 130 OE1 GLU A 10 -1.983 -9.734 -9.472 1.00 0.00 O ATOM 131 OE2 GLU A 10 -0.285 -8.904 -8.353 1.00 0.00 O ATOM 0 H GLU A 10 -4.132 -5.152 -7.341 1.00 0.00 H new ATOM 0 HA GLU A 10 -3.673 -5.334 -9.509 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -4.155 -8.315 -9.132 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -3.239 -7.566 -10.425 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -1.618 -6.693 -8.725 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -2.513 -7.533 -7.474 1.00 0.00 H new ATOM 138 N LYS A 11 -6.556 -5.417 -9.554 1.00 0.00 N ATOM 139 CA LYS A 11 -7.844 -5.373 -10.236 1.00 0.00 C ATOM 140 C LYS A 11 -8.652 -6.624 -9.910 1.00 0.00 C ATOM 141 O LYS A 11 -9.772 -6.796 -10.391 1.00 0.00 O ATOM 142 CB LYS A 11 -7.662 -5.240 -11.751 1.00 0.00 C ATOM 143 CG LYS A 11 -6.639 -4.191 -12.152 1.00 0.00 C ATOM 144 CD LYS A 11 -6.598 -3.999 -13.660 1.00 0.00 C ATOM 145 CE LYS A 11 -5.490 -3.043 -14.071 1.00 0.00 C ATOM 146 NZ LYS A 11 -5.648 -1.704 -13.438 1.00 0.00 N ATOM 0 H LYS A 11 -6.489 -4.808 -8.739 1.00 0.00 H new ATOM 0 HA LYS A 11 -8.386 -4.496 -9.883 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -7.359 -6.205 -12.158 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -8.622 -4.991 -12.203 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -6.880 -3.243 -11.670 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -5.653 -4.488 -11.795 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -6.447 -4.963 -14.146 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -7.558 -3.615 -14.005 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -4.525 -3.465 -13.792 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -5.488 -2.934 -15.156 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -4.967 -1.039 -13.858 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -6.615 -1.356 -13.598 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -5.472 -1.780 -12.416 1.00 0.00 H new ATOM 160 N VAL A 12 -8.081 -7.490 -9.073 1.00 0.00 N ATOM 161 CA VAL A 12 -8.747 -8.707 -8.662 1.00 0.00 C ATOM 162 C VAL A 12 -9.333 -8.522 -7.287 1.00 0.00 C ATOM 163 O VAL A 12 -8.811 -7.764 -6.473 1.00 0.00 O ATOM 164 CB VAL A 12 -7.795 -9.916 -8.654 1.00 0.00 C ATOM 165 CG1 VAL A 12 -8.393 -11.090 -7.882 1.00 0.00 C ATOM 166 CG2 VAL A 12 -7.491 -10.315 -10.077 1.00 0.00 C ATOM 0 H VAL A 12 -7.153 -7.362 -8.669 1.00 0.00 H new ATOM 0 HA VAL A 12 -9.535 -8.911 -9.387 1.00 0.00 H new ATOM 0 HB VAL A 12 -6.872 -9.633 -8.148 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -7.695 -11.927 -7.896 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -8.580 -10.790 -6.851 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -9.331 -11.392 -8.348 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -6.817 -11.171 -10.079 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -8.417 -10.582 -10.586 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -7.019 -9.481 -10.596 1.00 0.00 H new ATOM 176 N SER A 13 -10.416 -9.210 -7.033 1.00 0.00 N ATOM 177 CA SER A 13 -11.065 -9.093 -5.743 1.00 0.00 C ATOM 178 C SER A 13 -10.496 -10.079 -4.742 1.00 0.00 C ATOM 179 O SER A 13 -10.099 -11.192 -5.093 1.00 0.00 O ATOM 180 CB SER A 13 -12.564 -9.281 -5.872 1.00 0.00 C ATOM 181 OG SER A 13 -12.882 -10.530 -6.461 1.00 0.00 O ATOM 0 H SER A 13 -10.866 -9.849 -7.688 1.00 0.00 H new ATOM 0 HA SER A 13 -10.870 -8.087 -5.372 1.00 0.00 H new ATOM 0 HB2 SER A 13 -13.026 -9.214 -4.887 1.00 0.00 H new ATOM 0 HB3 SER A 13 -12.982 -8.476 -6.476 1.00 0.00 H new ATOM 0 HG SER A 13 -12.811 -11.237 -5.787 1.00 0.00 H new ATOM 187 N GLY A 14 -10.454 -9.649 -3.492 1.00 0.00 N ATOM 188 CA GLY A 14 -9.928 -10.477 -2.435 1.00 0.00 C ATOM 189 C GLY A 14 -10.081 -9.821 -1.085 1.00 0.00 C ATOM 190 O GLY A 14 -10.615 -8.719 -0.978 1.00 0.00 O ATOM 0 H GLY A 14 -10.779 -8.730 -3.191 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -10.444 -11.437 -2.434 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -8.874 -10.682 -2.623 1.00 0.00 H new ATOM 194 N ILE A 15 -9.615 -10.495 -0.055 1.00 0.00 N ATOM 195 CA ILE A 15 -9.697 -9.973 1.293 1.00 0.00 C ATOM 196 C ILE A 15 -8.332 -9.524 1.761 1.00 0.00 C ATOM 197 O ILE A 15 -7.339 -10.225 1.571 1.00 0.00 O ATOM 198 CB ILE A 15 -10.237 -11.024 2.278 1.00 0.00 C ATOM 199 CG1 ILE A 15 -11.464 -11.708 1.670 1.00 0.00 C ATOM 200 CG2 ILE A 15 -10.558 -10.387 3.630 1.00 0.00 C ATOM 201 CD1 ILE A 15 -12.715 -10.861 1.666 1.00 0.00 C ATOM 0 H ILE A 15 -9.173 -11.411 -0.126 1.00 0.00 H new ATOM 0 HA ILE A 15 -10.386 -9.128 1.272 1.00 0.00 H new ATOM 0 HB ILE A 15 -9.472 -11.780 2.455 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -11.233 -11.997 0.645 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -11.664 -12.626 2.223 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -10.938 -11.149 4.310 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -9.653 -9.946 4.048 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -11.312 -9.611 3.497 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -13.534 -11.424 1.218 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -12.976 -10.593 2.690 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -12.539 -9.954 1.087 1.00 0.00 H new ATOM 213 N ILE A 16 -8.286 -8.371 2.393 1.00 0.00 N ATOM 214 CA ILE A 16 -7.040 -7.855 2.904 1.00 0.00 C ATOM 215 C ILE A 16 -7.054 -8.002 4.412 1.00 0.00 C ATOM 216 O ILE A 16 -7.916 -7.447 5.090 1.00 0.00 O ATOM 217 CB ILE A 16 -6.836 -6.372 2.488 1.00 0.00 C ATOM 218 CG1 ILE A 16 -5.702 -6.253 1.468 1.00 0.00 C ATOM 219 CG2 ILE A 16 -6.562 -5.477 3.685 1.00 0.00 C ATOM 220 CD1 ILE A 16 -5.445 -4.831 1.015 1.00 0.00 C ATOM 0 H ILE A 16 -9.097 -7.776 2.564 1.00 0.00 H new ATOM 0 HA ILE A 16 -6.206 -8.417 2.484 1.00 0.00 H new ATOM 0 HB ILE A 16 -7.766 -6.034 2.031 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -4.788 -6.658 1.903 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -5.940 -6.866 0.598 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -6.426 -4.450 3.347 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -7.405 -5.524 4.375 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -5.659 -5.815 4.193 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -4.629 -4.821 0.293 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -6.345 -4.429 0.551 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -5.176 -4.218 1.875 1.00 0.00 H new ATOM 232 N ALA A 17 -6.124 -8.785 4.927 1.00 0.00 N ATOM 233 CA ALA A 17 -6.061 -9.037 6.354 1.00 0.00 C ATOM 234 C ALA A 17 -4.699 -8.677 6.925 1.00 0.00 C ATOM 235 O ALA A 17 -3.664 -9.148 6.453 1.00 0.00 O ATOM 236 CB ALA A 17 -6.416 -10.489 6.634 1.00 0.00 C ATOM 0 H ALA A 17 -5.404 -9.256 4.380 1.00 0.00 H new ATOM 0 HA ALA A 17 -6.789 -8.397 6.853 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -6.368 -10.675 7.707 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -7.425 -10.693 6.276 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -5.710 -11.142 6.121 1.00 0.00 H new ATOM 242 N ILE A 18 -4.718 -7.831 7.944 1.00 0.00 N ATOM 243 CA ILE A 18 -3.502 -7.378 8.598 1.00 0.00 C ATOM 244 C ILE A 18 -3.190 -8.239 9.819 1.00 0.00 C ATOM 245 O ILE A 18 -4.086 -8.626 10.567 1.00 0.00 O ATOM 246 CB ILE A 18 -3.638 -5.891 9.002 1.00 0.00 C ATOM 247 CG1 ILE A 18 -3.443 -5.001 7.774 1.00 0.00 C ATOM 248 CG2 ILE A 18 -2.654 -5.516 10.101 1.00 0.00 C ATOM 249 CD1 ILE A 18 -3.928 -3.583 7.968 1.00 0.00 C ATOM 0 H ILE A 18 -5.574 -7.441 8.339 1.00 0.00 H new ATOM 0 HA ILE A 18 -2.674 -7.476 7.896 1.00 0.00 H new ATOM 0 HB ILE A 18 -4.641 -5.736 9.400 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -2.384 -4.981 7.515 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -3.970 -5.443 6.928 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -2.779 -4.464 10.358 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -2.841 -6.130 10.982 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -1.636 -5.685 9.751 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -3.757 -3.012 7.056 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -4.994 -3.591 8.196 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -3.384 -3.122 8.792 1.00 0.00 H new ATOM 261 N ASN A 19 -1.910 -8.543 10.010 1.00 0.00 N ATOM 262 CA ASN A 19 -1.481 -9.363 11.136 1.00 0.00 C ATOM 263 C ASN A 19 -0.307 -8.720 11.865 1.00 0.00 C ATOM 264 O ASN A 19 0.790 -8.604 11.315 1.00 0.00 O ATOM 265 CB ASN A 19 -1.093 -10.762 10.654 1.00 0.00 C ATOM 266 CG ASN A 19 -0.962 -11.751 11.797 1.00 0.00 C ATOM 267 OD1 ASN A 19 -1.421 -11.497 12.909 1.00 0.00 O ATOM 268 ND2 ASN A 19 -0.328 -12.887 11.526 1.00 0.00 N ATOM 0 H ASN A 19 -1.153 -8.234 9.400 1.00 0.00 H new ATOM 0 HA ASN A 19 -2.315 -9.443 11.833 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -1.843 -11.122 9.950 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -0.148 -10.708 10.113 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -0.206 -13.590 12.255 1.00 0.00 H new ATOM 0 HD22 ASN A 19 0.037 -13.056 10.589 1.00 0.00 H new ATOM 275 N GLU A 20 -0.541 -8.309 13.106 1.00 0.00 N ATOM 276 CA GLU A 20 0.500 -7.683 13.913 1.00 0.00 C ATOM 277 C GLU A 20 1.263 -8.721 14.734 1.00 0.00 C ATOM 278 O GLU A 20 2.122 -8.372 15.543 1.00 0.00 O ATOM 279 CB GLU A 20 -0.108 -6.628 14.839 1.00 0.00 C ATOM 280 CG GLU A 20 -0.818 -5.505 14.099 1.00 0.00 C ATOM 281 CD GLU A 20 -1.349 -4.434 15.034 1.00 0.00 C ATOM 282 OE1 GLU A 20 -1.374 -4.673 16.260 1.00 0.00 O ATOM 283 OE2 GLU A 20 -1.740 -3.357 14.539 1.00 0.00 O ATOM 0 H GLU A 20 -1.442 -8.398 13.575 1.00 0.00 H new ATOM 0 HA GLU A 20 1.204 -7.201 13.235 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -0.815 -7.112 15.513 1.00 0.00 H new ATOM 0 HB3 GLU A 20 0.681 -6.202 15.458 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -0.129 -5.051 13.387 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -1.644 -5.921 13.522 1.00 0.00 H new ATOM 290 N ASP A 21 0.956 -9.995 14.512 1.00 0.00 N ATOM 291 CA ASP A 21 1.626 -11.075 15.221 1.00 0.00 C ATOM 292 C ASP A 21 2.997 -11.339 14.614 1.00 0.00 C ATOM 293 O ASP A 21 3.857 -11.960 15.239 1.00 0.00 O ATOM 294 CB ASP A 21 0.780 -12.348 15.167 1.00 0.00 C ATOM 295 CG ASP A 21 1.310 -13.437 16.080 1.00 0.00 C ATOM 296 OD1 ASP A 21 2.150 -13.124 16.952 1.00 0.00 O ATOM 297 OD2 ASP A 21 0.886 -14.600 15.924 1.00 0.00 O ATOM 0 H ASP A 21 0.247 -10.303 13.846 1.00 0.00 H new ATOM 0 HA ASP A 21 1.754 -10.777 16.262 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -0.246 -12.111 15.448 1.00 0.00 H new ATOM 0 HB3 ASP A 21 0.752 -12.719 14.142 1.00 0.00 H new ATOM 302 N VAL A 22 3.196 -10.858 13.390 1.00 0.00 N ATOM 303 CA VAL A 22 4.455 -11.035 12.691 1.00 0.00 C ATOM 304 C VAL A 22 5.316 -9.781 12.799 1.00 0.00 C ATOM 305 O VAL A 22 4.802 -8.662 12.787 1.00 0.00 O ATOM 306 CB VAL A 22 4.240 -11.371 11.200 1.00 0.00 C ATOM 307 CG1 VAL A 22 4.276 -12.874 10.979 1.00 0.00 C ATOM 308 CG2 VAL A 22 2.935 -10.781 10.682 1.00 0.00 C ATOM 0 H VAL A 22 2.493 -10.340 12.863 1.00 0.00 H new ATOM 0 HA VAL A 22 4.965 -11.872 13.167 1.00 0.00 H new ATOM 0 HB VAL A 22 5.056 -10.920 10.635 1.00 0.00 H new ATOM 0 HG11 VAL A 22 4.122 -13.090 9.922 1.00 0.00 H new ATOM 0 HG12 VAL A 22 5.244 -13.265 11.292 1.00 0.00 H new ATOM 0 HG13 VAL A 22 3.487 -13.347 11.564 1.00 0.00 H new ATOM 0 HG21 VAL A 22 2.813 -11.035 9.629 1.00 0.00 H new ATOM 0 HG22 VAL A 22 2.100 -11.188 11.253 1.00 0.00 H new ATOM 0 HG23 VAL A 22 2.956 -9.697 10.793 1.00 0.00 H new ATOM 318 N SER A 23 6.626 -9.972 12.905 1.00 0.00 N ATOM 319 CA SER A 23 7.551 -8.851 13.013 1.00 0.00 C ATOM 320 C SER A 23 8.546 -8.848 11.850 1.00 0.00 C ATOM 321 O SER A 23 9.348 -9.771 11.711 1.00 0.00 O ATOM 322 CB SER A 23 8.296 -8.905 14.350 1.00 0.00 C ATOM 323 OG SER A 23 9.585 -8.327 14.247 1.00 0.00 O ATOM 0 H SER A 23 7.070 -10.890 12.918 1.00 0.00 H new ATOM 0 HA SER A 23 6.974 -7.928 12.968 1.00 0.00 H new ATOM 0 HB2 SER A 23 7.719 -8.379 15.111 1.00 0.00 H new ATOM 0 HB3 SER A 23 8.385 -9.941 14.677 1.00 0.00 H new ATOM 0 HG SER A 23 10.035 -8.375 15.116 1.00 0.00 H new ATOM 329 N PRO A 24 8.511 -7.806 10.995 1.00 0.00 N ATOM 330 CA PRO A 24 7.572 -6.690 11.127 1.00 0.00 C ATOM 331 C PRO A 24 6.172 -7.053 10.648 1.00 0.00 C ATOM 332 O PRO A 24 6.010 -7.858 9.732 1.00 0.00 O ATOM 333 CB PRO A 24 8.177 -5.616 10.229 1.00 0.00 C ATOM 334 CG PRO A 24 8.922 -6.369 9.183 1.00 0.00 C ATOM 335 CD PRO A 24 9.396 -7.645 9.824 1.00 0.00 C ATOM 0 HA PRO A 24 7.448 -6.381 12.165 1.00 0.00 H new ATOM 0 HB2 PRO A 24 7.403 -4.987 9.788 1.00 0.00 H new ATOM 0 HB3 PRO A 24 8.840 -4.958 10.791 1.00 0.00 H new ATOM 0 HG2 PRO A 24 8.280 -6.581 8.328 1.00 0.00 H new ATOM 0 HG3 PRO A 24 9.765 -5.786 8.813 1.00 0.00 H new ATOM 0 HD2 PRO A 24 9.312 -8.490 9.141 1.00 0.00 H new ATOM 0 HD3 PRO A 24 10.443 -7.578 10.121 1.00 0.00 H new ATOM 343 N ALA A 25 5.162 -6.450 11.268 1.00 0.00 N ATOM 344 CA ALA A 25 3.773 -6.707 10.896 1.00 0.00 C ATOM 345 C ALA A 25 3.595 -6.632 9.384 1.00 0.00 C ATOM 346 O ALA A 25 4.177 -5.771 8.725 1.00 0.00 O ATOM 347 CB ALA A 25 2.845 -5.718 11.587 1.00 0.00 C ATOM 0 H ALA A 25 5.278 -5.781 12.029 1.00 0.00 H new ATOM 0 HA ALA A 25 3.515 -7.714 11.222 1.00 0.00 H new ATOM 0 HB1 ALA A 25 1.814 -5.924 11.299 1.00 0.00 H new ATOM 0 HB2 ALA A 25 2.946 -5.818 12.668 1.00 0.00 H new ATOM 0 HB3 ALA A 25 3.109 -4.703 11.290 1.00 0.00 H new ATOM 353 N GLU A 26 2.803 -7.546 8.835 1.00 0.00 N ATOM 354 CA GLU A 26 2.573 -7.581 7.396 1.00 0.00 C ATOM 355 C GLU A 26 1.088 -7.666 7.068 1.00 0.00 C ATOM 356 O GLU A 26 0.258 -7.943 7.935 1.00 0.00 O ATOM 357 CB GLU A 26 3.308 -8.771 6.776 1.00 0.00 C ATOM 358 CG GLU A 26 4.775 -8.850 7.166 1.00 0.00 C ATOM 359 CD GLU A 26 5.518 -9.948 6.427 1.00 0.00 C ATOM 360 OE1 GLU A 26 4.852 -10.791 5.789 1.00 0.00 O ATOM 361 OE2 GLU A 26 6.765 -9.964 6.485 1.00 0.00 O ATOM 0 H GLU A 26 2.312 -8.269 9.361 1.00 0.00 H new ATOM 0 HA GLU A 26 2.959 -6.652 6.976 1.00 0.00 H new ATOM 0 HB2 GLU A 26 2.810 -9.692 7.078 1.00 0.00 H new ATOM 0 HB3 GLU A 26 3.232 -8.709 5.690 1.00 0.00 H new ATOM 0 HG2 GLU A 26 5.253 -7.892 6.962 1.00 0.00 H new ATOM 0 HG3 GLU A 26 4.853 -9.023 8.239 1.00 0.00 H new ATOM 368 N LEU A 27 0.766 -7.433 5.801 1.00 0.00 N ATOM 369 CA LEU A 27 -0.608 -7.487 5.325 1.00 0.00 C ATOM 370 C LEU A 27 -0.731 -8.527 4.219 1.00 0.00 C ATOM 371 O LEU A 27 0.046 -8.524 3.264 1.00 0.00 O ATOM 372 CB LEU A 27 -1.048 -6.112 4.816 1.00 0.00 C ATOM 373 CG LEU A 27 -2.383 -6.085 4.069 1.00 0.00 C ATOM 374 CD1 LEU A 27 -3.017 -4.705 4.159 1.00 0.00 C ATOM 375 CD2 LEU A 27 -2.188 -6.488 2.614 1.00 0.00 C ATOM 0 H LEU A 27 1.448 -7.202 5.079 1.00 0.00 H new ATOM 0 HA LEU A 27 -1.259 -7.772 6.151 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -1.113 -5.432 5.666 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -0.273 -5.723 4.155 1.00 0.00 H new ATOM 0 HG LEU A 27 -3.055 -6.804 4.539 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -3.966 -4.705 3.622 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -3.192 -4.452 5.205 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -2.348 -3.968 3.715 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -3.148 -6.463 2.098 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -1.499 -5.793 2.133 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -1.777 -7.496 2.568 1.00 0.00 H new ATOM 387 N THR A 28 -1.696 -9.430 4.358 1.00 0.00 N ATOM 388 CA THR A 28 -1.892 -10.483 3.370 1.00 0.00 C ATOM 389 C THR A 28 -3.243 -10.362 2.673 1.00 0.00 C ATOM 390 O THR A 28 -4.288 -10.299 3.320 1.00 0.00 O ATOM 391 CB THR A 28 -1.775 -11.855 4.034 1.00 0.00 C ATOM 392 OG1 THR A 28 -0.544 -11.973 4.725 1.00 0.00 O ATOM 393 CG2 THR A 28 -1.863 -13.004 3.054 1.00 0.00 C ATOM 0 H THR A 28 -2.350 -9.454 5.140 1.00 0.00 H new ATOM 0 HA THR A 28 -1.114 -10.373 2.615 1.00 0.00 H new ATOM 0 HB THR A 28 -2.621 -11.918 4.719 1.00 0.00 H new ATOM 0 HG1 THR A 28 -0.488 -12.857 5.145 1.00 0.00 H new ATOM 0 HG21 THR A 28 -1.773 -13.948 3.591 1.00 0.00 H new ATOM 0 HG22 THR A 28 -2.823 -12.970 2.539 1.00 0.00 H new ATOM 0 HG23 THR A 28 -1.057 -12.923 2.325 1.00 0.00 H new ATOM 401 N TRP A 29 -3.205 -10.349 1.345 1.00 0.00 N ATOM 402 CA TRP A 29 -4.402 -10.257 0.539 1.00 0.00 C ATOM 403 C TRP A 29 -4.788 -11.635 0.015 1.00 0.00 C ATOM 404 O TRP A 29 -3.982 -12.314 -0.624 1.00 0.00 O ATOM 405 CB TRP A 29 -4.172 -9.309 -0.635 1.00 0.00 C ATOM 406 CG TRP A 29 -5.327 -9.268 -1.581 1.00 0.00 C ATOM 407 CD1 TRP A 29 -6.540 -8.711 -1.342 1.00 0.00 C ATOM 408 CD2 TRP A 29 -5.383 -9.821 -2.898 1.00 0.00 C ATOM 409 NE1 TRP A 29 -7.358 -8.871 -2.436 1.00 0.00 N ATOM 410 CE2 TRP A 29 -6.667 -9.551 -3.407 1.00 0.00 C ATOM 411 CE3 TRP A 29 -4.471 -10.512 -3.700 1.00 0.00 C ATOM 412 CZ2 TRP A 29 -7.062 -9.952 -4.680 1.00 0.00 C ATOM 413 CZ3 TRP A 29 -4.865 -10.910 -4.964 1.00 0.00 C ATOM 414 CH2 TRP A 29 -6.149 -10.628 -5.444 1.00 0.00 C ATOM 0 H TRP A 29 -2.342 -10.402 0.804 1.00 0.00 H new ATOM 0 HA TRP A 29 -5.211 -9.870 1.159 1.00 0.00 H new ATOM 0 HB2 TRP A 29 -3.985 -8.305 -0.254 1.00 0.00 H new ATOM 0 HB3 TRP A 29 -3.277 -9.617 -1.175 1.00 0.00 H new ATOM 0 HD1 TRP A 29 -6.823 -8.214 -0.426 1.00 0.00 H new ATOM 0 HE1 TRP A 29 -8.319 -8.539 -2.513 1.00 0.00 H new ATOM 0 HE3 TRP A 29 -3.477 -10.731 -3.339 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 -8.053 -9.738 -5.052 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 -4.170 -11.448 -5.592 1.00 0.00 H new ATOM 0 HH2 TRP A 29 -6.425 -10.950 -6.437 1.00 0.00 H new ATOM 425 N ARG A 30 -6.018 -12.042 0.283 1.00 0.00 N ATOM 426 CA ARG A 30 -6.503 -13.343 -0.169 1.00 0.00 C ATOM 427 C ARG A 30 -7.725 -13.178 -1.063 1.00 0.00 C ATOM 428 O ARG A 30 -8.763 -12.699 -0.619 1.00 0.00 O ATOM 429 CB ARG A 30 -6.850 -14.226 1.032 1.00 0.00 C ATOM 430 CG ARG A 30 -7.292 -15.628 0.647 1.00 0.00 C ATOM 431 CD ARG A 30 -6.117 -16.476 0.188 1.00 0.00 C ATOM 432 NE ARG A 30 -6.540 -17.800 -0.262 1.00 0.00 N ATOM 433 CZ ARG A 30 -6.949 -18.766 0.556 1.00 0.00 C ATOM 434 NH1 ARG A 30 -6.991 -18.562 1.867 1.00 0.00 N ATOM 435 NH2 ARG A 30 -7.317 -19.942 0.063 1.00 0.00 N ATOM 0 H ARG A 30 -6.699 -11.495 0.809 1.00 0.00 H new ATOM 0 HA ARG A 30 -5.712 -13.823 -0.745 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -5.980 -14.295 1.686 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -7.644 -13.748 1.607 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -7.775 -16.105 1.499 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -8.034 -15.571 -0.149 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -5.597 -15.966 -0.623 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -5.405 -16.582 1.006 1.00 0.00 H new ATOM 0 HE ARG A 30 -6.521 -17.995 -1.263 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -6.709 -17.661 2.252 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -7.306 -19.307 2.489 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -7.286 -20.105 -0.943 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -7.631 -20.683 0.690 1.00 0.00 H new ATOM 449 N SER A 31 -7.600 -13.582 -2.324 1.00 0.00 N ATOM 450 CA SER A 31 -8.706 -13.470 -3.277 1.00 0.00 C ATOM 451 C SER A 31 -10.018 -13.931 -2.645 1.00 0.00 C ATOM 452 O SER A 31 -10.016 -14.702 -1.685 1.00 0.00 O ATOM 453 CB SER A 31 -8.412 -14.301 -4.527 1.00 0.00 C ATOM 454 OG SER A 31 -9.551 -14.379 -5.367 1.00 0.00 O ATOM 0 H SER A 31 -6.748 -13.989 -2.711 1.00 0.00 H new ATOM 0 HA SER A 31 -8.807 -12.422 -3.558 1.00 0.00 H new ATOM 0 HB2 SER A 31 -7.581 -13.857 -5.076 1.00 0.00 H new ATOM 0 HB3 SER A 31 -8.102 -15.304 -4.236 1.00 0.00 H new ATOM 0 HG SER A 31 -9.938 -13.485 -5.477 1.00 0.00 H new ATOM 460 N THR A 32 -11.135 -13.457 -3.187 1.00 0.00 N ATOM 461 CA THR A 32 -12.442 -13.824 -2.677 1.00 0.00 C ATOM 462 C THR A 32 -12.675 -15.300 -2.914 1.00 0.00 C ATOM 463 O THR A 32 -13.229 -16.008 -2.074 1.00 0.00 O ATOM 464 CB THR A 32 -13.532 -13.002 -3.371 1.00 0.00 C ATOM 465 OG1 THR A 32 -12.960 -12.006 -4.200 1.00 0.00 O ATOM 466 CG2 THR A 32 -14.464 -12.312 -2.402 1.00 0.00 C ATOM 0 H THR A 32 -11.156 -12.817 -3.981 1.00 0.00 H new ATOM 0 HA THR A 32 -12.482 -13.617 -1.607 1.00 0.00 H new ATOM 0 HB THR A 32 -14.106 -13.719 -3.957 1.00 0.00 H new ATOM 0 HG1 THR A 32 -13.479 -11.178 -4.123 1.00 0.00 H new ATOM 0 HG21 THR A 32 -15.213 -11.747 -2.957 1.00 0.00 H new ATOM 0 HG22 THR A 32 -14.960 -13.058 -1.780 1.00 0.00 H new ATOM 0 HG23 THR A 32 -13.893 -11.633 -1.769 1.00 0.00 H new ATOM 474 N ASP A 33 -12.233 -15.747 -4.076 1.00 0.00 N ATOM 475 CA ASP A 33 -12.367 -17.133 -4.462 1.00 0.00 C ATOM 476 C ASP A 33 -11.175 -17.956 -3.978 1.00 0.00 C ATOM 477 O ASP A 33 -11.254 -19.181 -3.879 1.00 0.00 O ATOM 478 CB ASP A 33 -12.510 -17.255 -5.980 1.00 0.00 C ATOM 479 CG ASP A 33 -13.793 -16.628 -6.493 1.00 0.00 C ATOM 480 OD1 ASP A 33 -14.706 -16.390 -5.675 1.00 0.00 O ATOM 481 OD2 ASP A 33 -13.885 -16.376 -7.713 1.00 0.00 O ATOM 0 H ASP A 33 -11.774 -15.160 -4.773 1.00 0.00 H new ATOM 0 HA ASP A 33 -13.268 -17.526 -3.990 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -11.657 -16.777 -6.462 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -12.486 -18.308 -6.261 1.00 0.00 H new ATOM 486 N GLY A 34 -10.071 -17.276 -3.683 1.00 0.00 N ATOM 487 CA GLY A 34 -8.880 -17.961 -3.216 1.00 0.00 C ATOM 488 C GLY A 34 -7.994 -18.425 -4.355 1.00 0.00 C ATOM 489 O GLY A 34 -7.346 -19.467 -4.262 1.00 0.00 O ATOM 0 H GLY A 34 -9.980 -16.263 -3.759 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -8.312 -17.295 -2.567 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -9.172 -18.821 -2.613 1.00 0.00 H new ATOM 493 N ASP A 35 -7.970 -17.650 -5.436 1.00 0.00 N ATOM 494 CA ASP A 35 -7.160 -17.991 -6.600 1.00 0.00 C ATOM 495 C ASP A 35 -5.828 -17.246 -6.593 1.00 0.00 C ATOM 496 O ASP A 35 -4.865 -17.675 -7.227 1.00 0.00 O ATOM 497 CB ASP A 35 -7.924 -17.676 -7.887 1.00 0.00 C ATOM 498 CG ASP A 35 -9.159 -18.541 -8.054 1.00 0.00 C ATOM 499 OD1 ASP A 35 -9.255 -19.579 -7.367 1.00 0.00 O ATOM 500 OD2 ASP A 35 -10.032 -18.179 -8.871 1.00 0.00 O ATOM 0 H ASP A 35 -8.501 -16.784 -5.529 1.00 0.00 H new ATOM 0 HA ASP A 35 -6.950 -19.060 -6.555 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -8.217 -16.626 -7.884 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -7.264 -17.821 -8.742 1.00 0.00 H new ATOM 505 N LYS A 36 -5.779 -16.130 -5.875 1.00 0.00 N ATOM 506 CA LYS A 36 -4.560 -15.331 -5.793 1.00 0.00 C ATOM 507 C LYS A 36 -4.301 -14.864 -4.363 1.00 0.00 C ATOM 508 O LYS A 36 -5.236 -14.570 -3.617 1.00 0.00 O ATOM 509 CB LYS A 36 -4.657 -14.123 -6.727 1.00 0.00 C ATOM 510 CG LYS A 36 -3.834 -14.272 -7.997 1.00 0.00 C ATOM 511 CD LYS A 36 -4.716 -14.304 -9.235 1.00 0.00 C ATOM 512 CE LYS A 36 -4.658 -12.988 -9.996 1.00 0.00 C ATOM 513 NZ LYS A 36 -3.731 -13.060 -11.159 1.00 0.00 N ATOM 0 H LYS A 36 -6.566 -15.758 -5.343 1.00 0.00 H new ATOM 0 HA LYS A 36 -3.725 -15.959 -6.103 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -5.701 -13.965 -6.996 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -4.327 -13.232 -6.192 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -3.129 -13.444 -8.073 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -3.246 -15.188 -7.945 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -4.399 -15.117 -9.888 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -5.746 -14.512 -8.944 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -5.657 -12.725 -10.344 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -4.335 -12.193 -9.323 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -3.720 -12.144 -11.651 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -2.772 -13.286 -10.825 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -4.053 -13.801 -11.814 1.00 0.00 H new ATOM 527 N VAL A 37 -3.027 -14.794 -3.991 1.00 0.00 N ATOM 528 CA VAL A 37 -2.643 -14.359 -2.654 1.00 0.00 C ATOM 529 C VAL A 37 -1.421 -13.444 -2.701 1.00 0.00 C ATOM 530 O VAL A 37 -0.489 -13.676 -3.471 1.00 0.00 O ATOM 531 CB VAL A 37 -2.335 -15.559 -1.737 1.00 0.00 C ATOM 532 CG1 VAL A 37 -2.064 -15.091 -0.314 1.00 0.00 C ATOM 533 CG2 VAL A 37 -3.479 -16.563 -1.770 1.00 0.00 C ATOM 0 H VAL A 37 -2.243 -15.033 -4.598 1.00 0.00 H new ATOM 0 HA VAL A 37 -3.491 -13.809 -2.247 1.00 0.00 H new ATOM 0 HB VAL A 37 -1.437 -16.054 -2.106 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -1.849 -15.953 0.318 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -1.209 -14.415 -0.310 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -2.940 -14.569 0.071 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -3.244 -17.404 -1.117 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -4.395 -16.082 -1.427 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -3.618 -16.923 -2.789 1.00 0.00 H new ATOM 543 N HIS A 38 -1.436 -12.402 -1.876 1.00 0.00 N ATOM 544 CA HIS A 38 -0.330 -11.450 -1.824 1.00 0.00 C ATOM 545 C HIS A 38 -0.021 -11.035 -0.392 1.00 0.00 C ATOM 546 O HIS A 38 -0.917 -10.934 0.443 1.00 0.00 O ATOM 547 CB HIS A 38 -0.642 -10.211 -2.660 1.00 0.00 C ATOM 548 CG HIS A 38 0.570 -9.403 -3.007 1.00 0.00 C ATOM 549 ND1 HIS A 38 0.920 -8.140 -2.664 1.00 0.00 N flip ATOM 550 CD2 HIS A 38 1.592 -9.878 -3.801 1.00 0.00 C flip ATOM 551 CE1 HIS A 38 2.134 -7.880 -3.250 1.00 0.00 C flip ATOM 552 NE2 HIS A 38 2.518 -8.944 -3.930 1.00 0.00 N flip ATOM 0 H HIS A 38 -2.201 -12.195 -1.234 1.00 0.00 H new ATOM 0 HA HIS A 38 0.547 -11.949 -2.237 1.00 0.00 H new ATOM 0 HB2 HIS A 38 -1.139 -10.519 -3.580 1.00 0.00 H new ATOM 0 HB3 HIS A 38 -1.344 -9.581 -2.114 1.00 0.00 H new ATOM 0 HD2 HIS A 38 1.630 -10.860 -4.248 1.00 0.00 H new ATOM 0 HE1 HIS A 38 2.685 -6.955 -3.168 1.00 0.00 H new ATOM 0 HE2 HIS A 38 3.383 -9.031 -4.464 1.00 0.00 H new ATOM 561 N THR A 39 1.254 -10.798 -0.117 1.00 0.00 N ATOM 562 CA THR A 39 1.689 -10.391 1.215 1.00 0.00 C ATOM 563 C THR A 39 2.565 -9.141 1.146 1.00 0.00 C ATOM 564 O THR A 39 3.418 -9.021 0.266 1.00 0.00 O ATOM 565 CB THR A 39 2.455 -11.526 1.893 1.00 0.00 C ATOM 566 OG1 THR A 39 1.676 -12.708 1.924 1.00 0.00 O ATOM 567 CG2 THR A 39 2.863 -11.209 3.317 1.00 0.00 C ATOM 0 H THR A 39 2.008 -10.880 -0.799 1.00 0.00 H new ATOM 0 HA THR A 39 0.801 -10.158 1.803 1.00 0.00 H new ATOM 0 HB THR A 39 3.357 -11.661 1.296 1.00 0.00 H new ATOM 0 HG1 THR A 39 2.184 -13.423 2.360 1.00 0.00 H new ATOM 0 HG21 THR A 39 3.403 -12.057 3.738 1.00 0.00 H new ATOM 0 HG22 THR A 39 3.507 -10.330 3.324 1.00 0.00 H new ATOM 0 HG23 THR A 39 1.973 -11.012 3.915 1.00 0.00 H new ATOM 575 N VAL A 40 2.351 -8.215 2.077 1.00 0.00 N ATOM 576 CA VAL A 40 3.128 -6.979 2.113 1.00 0.00 C ATOM 577 C VAL A 40 3.639 -6.672 3.513 1.00 0.00 C ATOM 578 O VAL A 40 2.927 -6.844 4.503 1.00 0.00 O ATOM 579 CB VAL A 40 2.313 -5.763 1.631 1.00 0.00 C ATOM 580 CG1 VAL A 40 3.145 -4.485 1.747 1.00 0.00 C ATOM 581 CG2 VAL A 40 1.828 -5.967 0.204 1.00 0.00 C ATOM 0 H VAL A 40 1.650 -8.296 2.813 1.00 0.00 H new ATOM 0 HA VAL A 40 3.968 -7.146 1.438 1.00 0.00 H new ATOM 0 HB VAL A 40 1.436 -5.661 2.270 1.00 0.00 H new ATOM 0 HG11 VAL A 40 2.556 -3.635 1.403 1.00 0.00 H new ATOM 0 HG12 VAL A 40 3.432 -4.331 2.787 1.00 0.00 H new ATOM 0 HG13 VAL A 40 4.041 -4.577 1.134 1.00 0.00 H new ATOM 0 HG21 VAL A 40 1.255 -5.096 -0.114 1.00 0.00 H new ATOM 0 HG22 VAL A 40 2.685 -6.098 -0.456 1.00 0.00 H new ATOM 0 HG23 VAL A 40 1.195 -6.853 0.158 1.00 0.00 H new ATOM 591 N VAL A 41 4.865 -6.177 3.577 1.00 0.00 N ATOM 592 CA VAL A 41 5.474 -5.795 4.840 1.00 0.00 C ATOM 593 C VAL A 41 5.100 -4.349 5.160 1.00 0.00 C ATOM 594 O VAL A 41 5.413 -3.436 4.395 1.00 0.00 O ATOM 595 CB VAL A 41 7.008 -5.949 4.784 1.00 0.00 C ATOM 596 CG1 VAL A 41 7.552 -5.349 3.498 1.00 0.00 C ATOM 597 CG2 VAL A 41 7.669 -5.335 6.014 1.00 0.00 C ATOM 0 H VAL A 41 5.461 -6.030 2.762 1.00 0.00 H new ATOM 0 HA VAL A 41 5.101 -6.453 5.625 1.00 0.00 H new ATOM 0 HB VAL A 41 7.249 -7.012 4.788 1.00 0.00 H new ATOM 0 HG11 VAL A 41 8.636 -5.465 3.472 1.00 0.00 H new ATOM 0 HG12 VAL A 41 7.112 -5.862 2.643 1.00 0.00 H new ATOM 0 HG13 VAL A 41 7.299 -4.290 3.455 1.00 0.00 H new ATOM 0 HG21 VAL A 41 8.750 -5.459 5.946 1.00 0.00 H new ATOM 0 HG22 VAL A 41 7.428 -4.273 6.065 1.00 0.00 H new ATOM 0 HG23 VAL A 41 7.302 -5.834 6.911 1.00 0.00 H new ATOM 607 N LEU A 42 4.400 -4.150 6.269 1.00 0.00 N ATOM 608 CA LEU A 42 3.953 -2.818 6.661 1.00 0.00 C ATOM 609 C LEU A 42 5.093 -1.961 7.216 1.00 0.00 C ATOM 610 O LEU A 42 5.083 -0.738 7.069 1.00 0.00 O ATOM 611 CB LEU A 42 2.832 -2.927 7.695 1.00 0.00 C ATOM 612 CG LEU A 42 1.607 -3.720 7.234 1.00 0.00 C ATOM 613 CD1 LEU A 42 0.593 -3.840 8.362 1.00 0.00 C ATOM 614 CD2 LEU A 42 0.976 -3.064 6.014 1.00 0.00 C ATOM 0 H LEU A 42 4.129 -4.893 6.913 1.00 0.00 H new ATOM 0 HA LEU A 42 3.582 -2.323 5.763 1.00 0.00 H new ATOM 0 HB2 LEU A 42 3.232 -3.394 8.595 1.00 0.00 H new ATOM 0 HB3 LEU A 42 2.513 -1.922 7.972 1.00 0.00 H new ATOM 0 HG LEU A 42 1.930 -4.723 6.956 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -0.271 -4.407 8.016 1.00 0.00 H new ATOM 0 HD12 LEU A 42 1.049 -4.354 9.208 1.00 0.00 H new ATOM 0 HD13 LEU A 42 0.274 -2.845 8.672 1.00 0.00 H new ATOM 0 HD21 LEU A 42 0.106 -3.641 5.700 1.00 0.00 H new ATOM 0 HD22 LEU A 42 0.667 -2.049 6.265 1.00 0.00 H new ATOM 0 HD23 LEU A 42 1.702 -3.031 5.202 1.00 0.00 H new ATOM 626 N SER A 43 6.061 -2.598 7.866 1.00 0.00 N ATOM 627 CA SER A 43 7.190 -1.875 8.454 1.00 0.00 C ATOM 628 C SER A 43 7.889 -0.984 7.431 1.00 0.00 C ATOM 629 O SER A 43 8.534 0.000 7.792 1.00 0.00 O ATOM 630 CB SER A 43 8.195 -2.858 9.061 1.00 0.00 C ATOM 631 OG SER A 43 9.481 -2.273 9.176 1.00 0.00 O ATOM 0 H SER A 43 6.090 -3.609 8.000 1.00 0.00 H new ATOM 0 HA SER A 43 6.791 -1.233 9.240 1.00 0.00 H new ATOM 0 HB2 SER A 43 7.848 -3.176 10.044 1.00 0.00 H new ATOM 0 HB3 SER A 43 8.254 -3.752 8.440 1.00 0.00 H new ATOM 0 HG SER A 43 10.102 -2.922 9.568 1.00 0.00 H new ATOM 637 N THR A 44 7.764 -1.333 6.160 1.00 0.00 N ATOM 638 CA THR A 44 8.392 -0.560 5.092 1.00 0.00 C ATOM 639 C THR A 44 7.444 0.500 4.552 1.00 0.00 C ATOM 640 O THR A 44 7.876 1.492 3.965 1.00 0.00 O ATOM 641 CB THR A 44 8.857 -1.477 3.953 1.00 0.00 C ATOM 642 OG1 THR A 44 7.942 -1.450 2.872 1.00 0.00 O ATOM 643 CG2 THR A 44 9.021 -2.919 4.371 1.00 0.00 C ATOM 0 H THR A 44 7.235 -2.144 5.840 1.00 0.00 H new ATOM 0 HA THR A 44 9.263 -0.061 5.517 1.00 0.00 H new ATOM 0 HB THR A 44 9.830 -1.086 3.657 1.00 0.00 H new ATOM 0 HG1 THR A 44 8.261 -2.041 2.158 1.00 0.00 H new ATOM 0 HG21 THR A 44 9.351 -3.510 3.517 1.00 0.00 H new ATOM 0 HG22 THR A 44 9.763 -2.985 5.167 1.00 0.00 H new ATOM 0 HG23 THR A 44 8.067 -3.304 4.731 1.00 0.00 H new ATOM 651 N ILE A 45 6.150 0.287 4.748 1.00 0.00 N ATOM 652 CA ILE A 45 5.145 1.226 4.272 1.00 0.00 C ATOM 653 C ILE A 45 5.402 2.624 4.827 1.00 0.00 C ATOM 654 O ILE A 45 4.939 2.972 5.912 1.00 0.00 O ATOM 655 CB ILE A 45 3.721 0.768 4.647 1.00 0.00 C ATOM 656 CG1 ILE A 45 3.413 -0.572 3.977 1.00 0.00 C ATOM 657 CG2 ILE A 45 2.691 1.814 4.240 1.00 0.00 C ATOM 658 CD1 ILE A 45 3.446 -0.510 2.466 1.00 0.00 C ATOM 0 H ILE A 45 5.772 -0.527 5.233 1.00 0.00 H new ATOM 0 HA ILE A 45 5.220 1.256 3.185 1.00 0.00 H new ATOM 0 HB ILE A 45 3.669 0.645 5.729 1.00 0.00 H new ATOM 0 HG12 ILE A 45 4.134 -1.315 4.319 1.00 0.00 H new ATOM 0 HG13 ILE A 45 2.428 -0.912 4.298 1.00 0.00 H new ATOM 0 HG21 ILE A 45 1.694 1.469 4.514 1.00 0.00 H new ATOM 0 HG22 ILE A 45 2.904 2.753 4.752 1.00 0.00 H new ATOM 0 HG23 ILE A 45 2.737 1.970 3.162 1.00 0.00 H new ATOM 0 HD11 ILE A 45 3.219 -1.494 2.056 1.00 0.00 H new ATOM 0 HD12 ILE A 45 2.706 0.209 2.115 1.00 0.00 H new ATOM 0 HD13 ILE A 45 4.438 -0.200 2.136 1.00 0.00 H new ATOM 670 N ASP A 46 6.151 3.415 4.067 1.00 0.00 N ATOM 671 CA ASP A 46 6.486 4.773 4.470 1.00 0.00 C ATOM 672 C ASP A 46 5.239 5.644 4.581 1.00 0.00 C ATOM 673 O ASP A 46 5.202 6.584 5.374 1.00 0.00 O ATOM 674 CB ASP A 46 7.463 5.394 3.470 1.00 0.00 C ATOM 675 CG ASP A 46 8.017 6.723 3.947 1.00 0.00 C ATOM 676 OD1 ASP A 46 7.863 7.033 5.148 1.00 0.00 O ATOM 677 OD2 ASP A 46 8.602 7.454 3.121 1.00 0.00 O ATOM 0 H ASP A 46 6.538 3.137 3.165 1.00 0.00 H new ATOM 0 HA ASP A 46 6.955 4.722 5.453 1.00 0.00 H new ATOM 0 HB2 ASP A 46 8.287 4.702 3.295 1.00 0.00 H new ATOM 0 HB3 ASP A 46 6.958 5.537 2.515 1.00 0.00 H new ATOM 682 N LYS A 47 4.219 5.334 3.783 1.00 0.00 N ATOM 683 CA LYS A 47 2.982 6.109 3.808 1.00 0.00 C ATOM 684 C LYS A 47 1.790 5.277 3.352 1.00 0.00 C ATOM 685 O LYS A 47 1.942 4.289 2.635 1.00 0.00 O ATOM 686 CB LYS A 47 3.111 7.349 2.917 1.00 0.00 C ATOM 687 CG LYS A 47 4.424 8.095 3.086 1.00 0.00 C ATOM 688 CD LYS A 47 4.513 9.286 2.145 1.00 0.00 C ATOM 689 CE LYS A 47 3.381 10.272 2.381 1.00 0.00 C ATOM 690 NZ LYS A 47 2.360 10.214 1.297 1.00 0.00 N ATOM 0 H LYS A 47 4.224 4.560 3.118 1.00 0.00 H new ATOM 0 HA LYS A 47 2.811 6.417 4.840 1.00 0.00 H new ATOM 0 HB2 LYS A 47 3.007 7.048 1.875 1.00 0.00 H new ATOM 0 HB3 LYS A 47 2.287 8.029 3.136 1.00 0.00 H new ATOM 0 HG2 LYS A 47 4.520 8.436 4.117 1.00 0.00 H new ATOM 0 HG3 LYS A 47 5.256 7.417 2.896 1.00 0.00 H new ATOM 0 HD2 LYS A 47 5.470 9.790 2.284 1.00 0.00 H new ATOM 0 HD3 LYS A 47 4.483 8.938 1.113 1.00 0.00 H new ATOM 0 HE2 LYS A 47 2.907 10.058 3.339 1.00 0.00 H new ATOM 0 HE3 LYS A 47 3.786 11.282 2.445 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 1.605 10.901 1.494 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 2.807 10.443 0.386 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 1.955 9.257 1.253 1.00 0.00 H new ATOM 704 N LEU A 48 0.601 5.700 3.765 1.00 0.00 N ATOM 705 CA LEU A 48 -0.630 5.022 3.397 1.00 0.00 C ATOM 706 C LEU A 48 -1.619 6.035 2.820 1.00 0.00 C ATOM 707 O LEU A 48 -1.886 7.071 3.429 1.00 0.00 O ATOM 708 CB LEU A 48 -1.209 4.283 4.613 1.00 0.00 C ATOM 709 CG LEU A 48 -2.635 4.658 5.000 1.00 0.00 C ATOM 710 CD1 LEU A 48 -3.637 3.901 4.145 1.00 0.00 C ATOM 711 CD2 LEU A 48 -2.878 4.392 6.479 1.00 0.00 C ATOM 0 H LEU A 48 0.466 6.517 4.360 1.00 0.00 H new ATOM 0 HA LEU A 48 -0.427 4.276 2.629 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -1.177 3.212 4.413 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -0.560 4.467 5.469 1.00 0.00 H new ATOM 0 HG LEU A 48 -2.770 5.725 4.820 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -4.649 4.182 4.436 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -3.479 4.148 3.095 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -3.502 2.829 4.290 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -3.901 4.666 6.735 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -2.723 3.334 6.689 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -2.184 4.985 7.074 1.00 0.00 H new ATOM 723 N GLN A 49 -2.143 5.741 1.636 1.00 0.00 N ATOM 724 CA GLN A 49 -3.083 6.642 0.979 1.00 0.00 C ATOM 725 C GLN A 49 -4.457 6.002 0.825 1.00 0.00 C ATOM 726 O GLN A 49 -4.573 4.812 0.533 1.00 0.00 O ATOM 727 CB GLN A 49 -2.545 7.056 -0.392 1.00 0.00 C ATOM 728 CG GLN A 49 -1.305 7.932 -0.320 1.00 0.00 C ATOM 729 CD GLN A 49 -0.751 8.271 -1.691 1.00 0.00 C ATOM 730 OE1 GLN A 49 -1.080 7.622 -2.683 1.00 0.00 O ATOM 731 NE2 GLN A 49 0.094 9.293 -1.750 1.00 0.00 N ATOM 0 H GLN A 49 -1.935 4.890 1.113 1.00 0.00 H new ATOM 0 HA GLN A 49 -3.192 7.525 1.608 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -2.314 6.160 -0.968 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -3.326 7.590 -0.933 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -1.546 8.854 0.209 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -0.537 7.422 0.262 1.00 0.00 H new ATOM 0 HE21 GLN A 49 0.338 9.803 -0.901 1.00 0.00 H new ATOM 0 HE22 GLN A 49 0.499 9.569 -2.645 1.00 0.00 H new ATOM 740 N ALA A 50 -5.495 6.808 1.018 1.00 0.00 N ATOM 741 CA ALA A 50 -6.867 6.337 0.898 1.00 0.00 C ATOM 742 C ALA A 50 -7.777 7.451 0.391 1.00 0.00 C ATOM 743 O ALA A 50 -7.695 8.589 0.852 1.00 0.00 O ATOM 744 CB ALA A 50 -7.366 5.809 2.235 1.00 0.00 C ATOM 0 H ALA A 50 -5.410 7.795 1.259 1.00 0.00 H new ATOM 0 HA ALA A 50 -6.888 5.523 0.174 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -8.393 5.461 2.128 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -6.734 4.982 2.558 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -7.328 6.606 2.978 1.00 0.00 H new ATOM 750 N THR A 51 -8.641 7.119 -0.561 1.00 0.00 N ATOM 751 CA THR A 51 -9.560 8.096 -1.129 1.00 0.00 C ATOM 752 C THR A 51 -10.711 8.385 -0.164 1.00 0.00 C ATOM 753 O THR A 51 -11.329 7.462 0.366 1.00 0.00 O ATOM 754 CB THR A 51 -10.112 7.595 -2.465 1.00 0.00 C ATOM 755 OG1 THR A 51 -10.892 6.429 -2.274 1.00 0.00 O ATOM 756 CG2 THR A 51 -9.032 7.266 -3.473 1.00 0.00 C ATOM 0 H THR A 51 -8.724 6.182 -0.955 1.00 0.00 H new ATOM 0 HA THR A 51 -9.009 9.021 -1.298 1.00 0.00 H new ATOM 0 HB THR A 51 -10.713 8.415 -2.858 1.00 0.00 H new ATOM 0 HG1 THR A 51 -11.763 6.543 -2.709 1.00 0.00 H new ATOM 0 HG21 THR A 51 -9.492 6.917 -4.398 1.00 0.00 H new ATOM 0 HG22 THR A 51 -8.440 8.158 -3.676 1.00 0.00 H new ATOM 0 HG23 THR A 51 -8.385 6.486 -3.072 1.00 0.00 H new ATOM 764 N PRO A 52 -11.014 9.674 0.080 1.00 0.00 N ATOM 765 CA PRO A 52 -12.095 10.072 0.989 1.00 0.00 C ATOM 766 C PRO A 52 -13.474 9.740 0.432 1.00 0.00 C ATOM 767 O PRO A 52 -13.637 9.534 -0.771 1.00 0.00 O ATOM 768 CB PRO A 52 -11.918 11.588 1.113 1.00 0.00 C ATOM 769 CG PRO A 52 -11.224 11.992 -0.140 1.00 0.00 C ATOM 770 CD PRO A 52 -10.329 10.842 -0.507 1.00 0.00 C ATOM 0 HA PRO A 52 -12.040 9.544 1.941 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -12.879 12.092 1.213 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -11.329 11.847 1.993 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -11.941 12.197 -0.935 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -10.646 12.904 0.011 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -10.223 10.744 -1.587 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -9.326 10.967 -0.098 1.00 0.00 H new ATOM 778 N ALA A 53 -14.467 9.689 1.316 1.00 0.00 N ATOM 779 CA ALA A 53 -15.835 9.380 0.914 1.00 0.00 C ATOM 780 C ALA A 53 -16.323 10.343 -0.166 1.00 0.00 C ATOM 781 O ALA A 53 -16.991 9.937 -1.116 1.00 0.00 O ATOM 782 CB ALA A 53 -16.761 9.427 2.120 1.00 0.00 C ATOM 0 H ALA A 53 -14.349 9.858 2.315 1.00 0.00 H new ATOM 0 HA ALA A 53 -15.846 8.373 0.498 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -17.779 9.195 1.807 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -16.433 8.696 2.859 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -16.736 10.424 2.560 1.00 0.00 H new ATOM 788 N SER A 54 -15.981 11.619 -0.014 1.00 0.00 N ATOM 789 CA SER A 54 -16.382 12.636 -0.979 1.00 0.00 C ATOM 790 C SER A 54 -15.775 12.352 -2.350 1.00 0.00 C ATOM 791 O SER A 54 -16.326 12.744 -3.379 1.00 0.00 O ATOM 792 CB SER A 54 -15.959 14.024 -0.498 1.00 0.00 C ATOM 793 OG SER A 54 -14.549 14.162 -0.507 1.00 0.00 O ATOM 0 H SER A 54 -15.428 11.972 0.767 1.00 0.00 H new ATOM 0 HA SER A 54 -17.468 12.608 -1.068 1.00 0.00 H new ATOM 0 HB2 SER A 54 -16.406 14.785 -1.138 1.00 0.00 H new ATOM 0 HB3 SER A 54 -16.337 14.193 0.510 1.00 0.00 H new ATOM 0 HG SER A 54 -14.289 14.901 0.082 1.00 0.00 H new ATOM 799 N SER A 55 -14.639 11.668 -2.351 1.00 0.00 N ATOM 800 CA SER A 55 -13.950 11.324 -3.584 1.00 0.00 C ATOM 801 C SER A 55 -14.651 10.180 -4.296 1.00 0.00 C ATOM 802 O SER A 55 -14.800 9.088 -3.746 1.00 0.00 O ATOM 803 CB SER A 55 -12.498 10.945 -3.292 1.00 0.00 C ATOM 804 OG SER A 55 -11.828 10.546 -4.475 1.00 0.00 O ATOM 0 H SER A 55 -14.174 11.339 -1.505 1.00 0.00 H new ATOM 0 HA SER A 55 -13.966 12.198 -4.236 1.00 0.00 H new ATOM 0 HB2 SER A 55 -11.980 11.794 -2.845 1.00 0.00 H new ATOM 0 HB3 SER A 55 -12.470 10.135 -2.563 1.00 0.00 H new ATOM 0 HG SER A 55 -10.901 10.310 -4.262 1.00 0.00 H new ATOM 810 N GLU A 56 -15.065 10.430 -5.533 1.00 0.00 N ATOM 811 CA GLU A 56 -15.733 9.411 -6.332 1.00 0.00 C ATOM 812 C GLU A 56 -14.855 8.168 -6.445 1.00 0.00 C ATOM 813 O GLU A 56 -15.336 7.081 -6.766 1.00 0.00 O ATOM 814 CB GLU A 56 -16.054 9.952 -7.724 1.00 0.00 C ATOM 815 CG GLU A 56 -16.887 9.002 -8.569 1.00 0.00 C ATOM 816 CD GLU A 56 -17.113 9.516 -9.979 1.00 0.00 C ATOM 817 OE1 GLU A 56 -16.585 10.600 -10.310 1.00 0.00 O ATOM 818 OE2 GLU A 56 -17.816 8.835 -10.753 1.00 0.00 O ATOM 0 H GLU A 56 -14.950 11.328 -6.003 1.00 0.00 H new ATOM 0 HA GLU A 56 -16.666 9.140 -5.837 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -16.587 10.898 -7.623 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -15.121 10.166 -8.246 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -16.390 8.033 -8.615 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -17.851 8.843 -8.086 1.00 0.00 H new ATOM 825 N LYS A 57 -13.564 8.339 -6.174 1.00 0.00 N ATOM 826 CA LYS A 57 -12.615 7.233 -6.241 1.00 0.00 C ATOM 827 C LYS A 57 -12.760 6.323 -5.025 1.00 0.00 C ATOM 828 O LYS A 57 -13.213 6.755 -3.965 1.00 0.00 O ATOM 829 CB LYS A 57 -11.184 7.766 -6.326 1.00 0.00 C ATOM 830 CG LYS A 57 -10.880 8.484 -7.630 1.00 0.00 C ATOM 831 CD LYS A 57 -11.420 9.904 -7.626 1.00 0.00 C ATOM 832 CE LYS A 57 -10.920 10.695 -8.822 1.00 0.00 C ATOM 833 NZ LYS A 57 -11.875 10.644 -9.962 1.00 0.00 N ATOM 0 H LYS A 57 -13.152 9.233 -5.906 1.00 0.00 H new ATOM 0 HA LYS A 57 -12.831 6.652 -7.138 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -11.010 8.450 -5.495 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -10.488 6.936 -6.207 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -9.802 8.504 -7.792 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -11.317 7.930 -8.461 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -12.510 9.880 -7.635 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -11.120 10.406 -6.706 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -10.760 11.733 -8.529 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -9.955 10.301 -9.140 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -11.496 11.196 -10.757 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -12.009 9.656 -10.259 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -12.789 11.044 -9.667 1.00 0.00 H new ATOM 847 N MET A 58 -12.376 5.061 -5.186 1.00 0.00 N ATOM 848 CA MET A 58 -12.465 4.089 -4.103 1.00 0.00 C ATOM 849 C MET A 58 -11.277 3.132 -4.131 1.00 0.00 C ATOM 850 O MET A 58 -11.391 2.006 -4.616 1.00 0.00 O ATOM 851 CB MET A 58 -13.772 3.304 -4.213 1.00 0.00 C ATOM 852 CG MET A 58 -15.012 4.179 -4.120 1.00 0.00 C ATOM 853 SD MET A 58 -16.523 3.222 -3.895 1.00 0.00 S ATOM 854 CE MET A 58 -16.181 2.422 -2.331 1.00 0.00 C ATOM 0 H MET A 58 -12.000 4.687 -6.057 1.00 0.00 H new ATOM 0 HA MET A 58 -12.448 4.628 -3.156 1.00 0.00 H new ATOM 0 HB2 MET A 58 -13.786 2.767 -5.161 1.00 0.00 H new ATOM 0 HB3 MET A 58 -13.805 2.555 -3.422 1.00 0.00 H new ATOM 0 HG2 MET A 58 -14.900 4.874 -3.288 1.00 0.00 H new ATOM 0 HG3 MET A 58 -15.098 4.778 -5.027 1.00 0.00 H new ATOM 0 HE1 MET A 58 -17.101 1.996 -1.931 1.00 0.00 H new ATOM 0 HE2 MET A 58 -15.449 1.628 -2.481 1.00 0.00 H new ATOM 0 HE3 MET A 58 -15.784 3.154 -1.627 1.00 0.00 H new ATOM 864 N MET A 59 -10.137 3.585 -3.612 1.00 0.00 N ATOM 865 CA MET A 59 -8.929 2.763 -3.586 1.00 0.00 C ATOM 866 C MET A 59 -7.984 3.195 -2.468 1.00 0.00 C ATOM 867 O MET A 59 -8.162 4.250 -1.858 1.00 0.00 O ATOM 868 CB MET A 59 -8.198 2.849 -4.928 1.00 0.00 C ATOM 869 CG MET A 59 -8.950 2.205 -6.082 1.00 0.00 C ATOM 870 SD MET A 59 -9.939 3.394 -7.009 1.00 0.00 S ATOM 871 CE MET A 59 -8.684 4.586 -7.473 1.00 0.00 C ATOM 0 H MET A 59 -10.025 4.514 -3.205 1.00 0.00 H new ATOM 0 HA MET A 59 -9.237 1.734 -3.401 1.00 0.00 H new ATOM 0 HB2 MET A 59 -8.017 3.897 -5.165 1.00 0.00 H new ATOM 0 HB3 MET A 59 -7.223 2.371 -4.831 1.00 0.00 H new ATOM 0 HG2 MET A 59 -8.238 1.727 -6.754 1.00 0.00 H new ATOM 0 HG3 MET A 59 -9.600 1.420 -5.695 1.00 0.00 H new ATOM 0 HE1 MET A 59 -9.008 5.586 -7.186 1.00 0.00 H new ATOM 0 HE2 MET A 59 -7.750 4.347 -6.965 1.00 0.00 H new ATOM 0 HE3 MET A 59 -8.530 4.551 -8.551 1.00 0.00 H new ATOM 881 N LEU A 60 -6.969 2.372 -2.219 1.00 0.00 N ATOM 882 CA LEU A 60 -5.973 2.652 -1.192 1.00 0.00 C ATOM 883 C LEU A 60 -4.569 2.441 -1.755 1.00 0.00 C ATOM 884 O LEU A 60 -4.257 1.369 -2.275 1.00 0.00 O ATOM 885 CB LEU A 60 -6.194 1.753 0.026 1.00 0.00 C ATOM 886 CG LEU A 60 -6.782 2.455 1.252 1.00 0.00 C ATOM 887 CD1 LEU A 60 -7.799 1.562 1.946 1.00 0.00 C ATOM 888 CD2 LEU A 60 -5.675 2.855 2.217 1.00 0.00 C ATOM 0 H LEU A 60 -6.815 1.497 -2.721 1.00 0.00 H new ATOM 0 HA LEU A 60 -6.077 3.691 -0.879 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -6.858 0.937 -0.260 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -5.240 1.305 0.305 1.00 0.00 H new ATOM 0 HG LEU A 60 -7.293 3.358 0.919 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -8.205 2.080 2.815 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -8.607 1.325 1.254 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -7.314 0.640 2.267 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -6.110 3.353 3.083 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -5.137 1.965 2.542 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -4.984 3.534 1.717 1.00 0.00 H new ATOM 900 N ARG A 61 -3.731 3.469 -1.667 1.00 0.00 N ATOM 901 CA ARG A 61 -2.370 3.384 -2.192 1.00 0.00 C ATOM 902 C ARG A 61 -1.333 3.304 -1.073 1.00 0.00 C ATOM 903 O ARG A 61 -1.240 4.197 -0.231 1.00 0.00 O ATOM 904 CB ARG A 61 -2.072 4.592 -3.084 1.00 0.00 C ATOM 905 CG ARG A 61 -2.400 4.364 -4.549 1.00 0.00 C ATOM 906 CD ARG A 61 -1.382 3.451 -5.215 1.00 0.00 C ATOM 907 NE ARG A 61 -1.010 3.926 -6.546 1.00 0.00 N ATOM 908 CZ ARG A 61 -0.009 3.416 -7.261 1.00 0.00 C ATOM 909 NH1 ARG A 61 0.721 2.419 -6.778 1.00 0.00 N ATOM 910 NH2 ARG A 61 0.262 3.905 -8.464 1.00 0.00 N ATOM 0 H ARG A 61 -3.967 4.365 -1.241 1.00 0.00 H new ATOM 0 HA ARG A 61 -2.303 2.468 -2.779 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -2.641 5.449 -2.722 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -1.017 4.849 -2.993 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -3.394 3.926 -4.636 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -2.427 5.321 -5.070 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -0.491 3.386 -4.591 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -1.793 2.444 -5.291 1.00 0.00 H new ATOM 0 HE ARG A 61 -1.548 4.692 -6.951 1.00 0.00 H new ATOM 0 HH11 ARG A 61 0.517 2.039 -5.854 1.00 0.00 H new ATOM 0 HH12 ARG A 61 1.486 2.033 -7.331 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -0.296 4.671 -8.841 1.00 0.00 H new ATOM 0 HH22 ARG A 61 1.029 3.515 -9.012 1.00 0.00 H new ATOM 924 N LEU A 62 -0.542 2.234 -1.088 1.00 0.00 N ATOM 925 CA LEU A 62 0.508 2.038 -0.093 1.00 0.00 C ATOM 926 C LEU A 62 1.868 2.375 -0.692 1.00 0.00 C ATOM 927 O LEU A 62 2.178 1.971 -1.813 1.00 0.00 O ATOM 928 CB LEU A 62 0.506 0.586 0.402 1.00 0.00 C ATOM 929 CG LEU A 62 -0.647 0.192 1.334 1.00 0.00 C ATOM 930 CD1 LEU A 62 -1.871 1.068 1.103 1.00 0.00 C ATOM 931 CD2 LEU A 62 -0.998 -1.273 1.136 1.00 0.00 C ATOM 0 H LEU A 62 -0.609 1.488 -1.780 1.00 0.00 H new ATOM 0 HA LEU A 62 0.315 2.701 0.750 1.00 0.00 H new ATOM 0 HB2 LEU A 62 0.485 -0.072 -0.466 1.00 0.00 H new ATOM 0 HB3 LEU A 62 1.446 0.399 0.921 1.00 0.00 H new ATOM 0 HG LEU A 62 -0.320 0.345 2.362 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -2.670 0.763 1.779 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -1.614 2.110 1.292 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -2.207 0.959 0.072 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -1.817 -1.544 1.802 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -1.301 -1.438 0.102 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -0.128 -1.889 1.362 1.00 0.00 H new ATOM 943 N ILE A 63 2.676 3.118 0.053 1.00 0.00 N ATOM 944 CA ILE A 63 4.001 3.505 -0.418 1.00 0.00 C ATOM 945 C ILE A 63 5.078 2.613 0.184 1.00 0.00 C ATOM 946 O ILE A 63 4.929 2.115 1.298 1.00 0.00 O ATOM 947 CB ILE A 63 4.330 4.973 -0.077 1.00 0.00 C ATOM 948 CG1 ILE A 63 3.059 5.819 0.015 1.00 0.00 C ATOM 949 CG2 ILE A 63 5.275 5.559 -1.109 1.00 0.00 C ATOM 950 CD1 ILE A 63 2.160 5.721 -1.192 1.00 0.00 C ATOM 0 H ILE A 63 2.439 3.464 0.983 1.00 0.00 H new ATOM 0 HA ILE A 63 3.987 3.389 -1.502 1.00 0.00 H new ATOM 0 HB ILE A 63 4.818 4.987 0.898 1.00 0.00 H new ATOM 0 HG12 ILE A 63 2.497 5.515 0.898 1.00 0.00 H new ATOM 0 HG13 ILE A 63 3.340 6.862 0.160 1.00 0.00 H new ATOM 0 HG21 ILE A 63 5.496 6.595 -0.853 1.00 0.00 H new ATOM 0 HG22 ILE A 63 6.200 4.983 -1.124 1.00 0.00 H new ATOM 0 HG23 ILE A 63 4.808 5.520 -2.093 1.00 0.00 H new ATOM 0 HD11 ILE A 63 1.283 6.351 -1.044 1.00 0.00 H new ATOM 0 HD12 ILE A 63 2.702 6.055 -2.077 1.00 0.00 H new ATOM 0 HD13 ILE A 63 1.845 4.686 -1.328 1.00 0.00 H new ATOM 962 N GLY A 64 6.164 2.421 -0.554 1.00 0.00 N ATOM 963 CA GLY A 64 7.253 1.594 -0.070 1.00 0.00 C ATOM 964 C GLY A 64 8.528 2.388 0.135 1.00 0.00 C ATOM 965 O GLY A 64 8.913 3.185 -0.721 1.00 0.00 O ATOM 0 H GLY A 64 6.310 2.823 -1.480 1.00 0.00 H new ATOM 0 HA2 GLY A 64 6.962 1.128 0.871 1.00 0.00 H new ATOM 0 HA3 GLY A 64 7.439 0.789 -0.781 1.00 0.00 H new ATOM 969 N LYS A 65 9.184 2.175 1.271 1.00 0.00 N ATOM 970 CA LYS A 65 10.423 2.882 1.582 1.00 0.00 C ATOM 971 C LYS A 65 11.443 2.720 0.460 1.00 0.00 C ATOM 972 O LYS A 65 11.584 1.640 -0.114 1.00 0.00 O ATOM 973 CB LYS A 65 11.011 2.372 2.899 1.00 0.00 C ATOM 974 CG LYS A 65 10.505 3.121 4.121 1.00 0.00 C ATOM 975 CD LYS A 65 11.054 2.525 5.407 1.00 0.00 C ATOM 976 CE LYS A 65 10.410 3.154 6.633 1.00 0.00 C ATOM 977 NZ LYS A 65 11.410 3.449 7.696 1.00 0.00 N ATOM 0 H LYS A 65 8.880 1.520 1.991 1.00 0.00 H new ATOM 0 HA LYS A 65 10.188 3.942 1.683 1.00 0.00 H new ATOM 0 HB2 LYS A 65 10.774 1.314 3.008 1.00 0.00 H new ATOM 0 HB3 LYS A 65 12.097 2.452 2.858 1.00 0.00 H new ATOM 0 HG2 LYS A 65 10.795 4.170 4.052 1.00 0.00 H new ATOM 0 HG3 LYS A 65 9.416 3.092 4.141 1.00 0.00 H new ATOM 0 HD2 LYS A 65 10.879 1.449 5.414 1.00 0.00 H new ATOM 0 HD3 LYS A 65 12.133 2.672 5.446 1.00 0.00 H new ATOM 0 HE2 LYS A 65 9.904 4.075 6.345 1.00 0.00 H new ATOM 0 HE3 LYS A 65 9.648 2.482 7.028 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 10.931 3.877 8.514 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 11.875 2.566 7.990 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 12.123 4.110 7.328 1.00 0.00 H new ATOM 991 N VAL A 66 12.150 3.802 0.149 1.00 0.00 N ATOM 992 CA VAL A 66 13.155 3.783 -0.908 1.00 0.00 C ATOM 993 C VAL A 66 14.558 3.975 -0.332 1.00 0.00 C ATOM 994 O VAL A 66 14.781 3.795 0.865 1.00 0.00 O ATOM 995 CB VAL A 66 12.861 4.865 -1.976 1.00 0.00 C ATOM 996 CG1 VAL A 66 13.442 6.218 -1.578 1.00 0.00 C ATOM 997 CG2 VAL A 66 13.374 4.433 -3.345 1.00 0.00 C ATOM 0 H VAL A 66 12.045 4.704 0.614 1.00 0.00 H new ATOM 0 HA VAL A 66 13.110 2.806 -1.389 1.00 0.00 H new ATOM 0 HB VAL A 66 11.779 4.978 -2.039 1.00 0.00 H new ATOM 0 HG11 VAL A 66 13.216 6.953 -2.351 1.00 0.00 H new ATOM 0 HG12 VAL A 66 13.003 6.539 -0.633 1.00 0.00 H new ATOM 0 HG13 VAL A 66 14.523 6.131 -1.465 1.00 0.00 H new ATOM 0 HG21 VAL A 66 13.155 5.210 -4.077 1.00 0.00 H new ATOM 0 HG22 VAL A 66 14.451 4.273 -3.296 1.00 0.00 H new ATOM 0 HG23 VAL A 66 12.883 3.506 -3.642 1.00 0.00 H new ATOM 1007 N ASP A 67 15.495 4.344 -1.195 1.00 0.00 N ATOM 1008 CA ASP A 67 16.877 4.566 -0.789 1.00 0.00 C ATOM 1009 C ASP A 67 17.702 5.052 -1.977 1.00 0.00 C ATOM 1010 O ASP A 67 18.578 4.345 -2.475 1.00 0.00 O ATOM 1011 CB ASP A 67 17.476 3.280 -0.211 1.00 0.00 C ATOM 1012 CG ASP A 67 17.820 3.415 1.260 1.00 0.00 C ATOM 1013 OD1 ASP A 67 16.981 3.941 2.021 1.00 0.00 O ATOM 1014 OD2 ASP A 67 18.929 2.993 1.650 1.00 0.00 O ATOM 0 H ASP A 67 15.321 4.497 -2.188 1.00 0.00 H new ATOM 0 HA ASP A 67 16.896 5.333 -0.015 1.00 0.00 H new ATOM 0 HB2 ASP A 67 16.769 2.461 -0.343 1.00 0.00 H new ATOM 0 HB3 ASP A 67 18.375 3.018 -0.769 1.00 0.00 H new ATOM 1019 N GLU A 68 17.405 6.265 -2.434 1.00 0.00 N ATOM 1020 CA GLU A 68 18.109 6.849 -3.571 1.00 0.00 C ATOM 1021 C GLU A 68 19.609 6.939 -3.311 1.00 0.00 C ATOM 1022 O GLU A 68 20.405 7.031 -4.245 1.00 0.00 O ATOM 1023 CB GLU A 68 17.549 8.237 -3.887 1.00 0.00 C ATOM 1024 CG GLU A 68 16.076 8.229 -4.259 1.00 0.00 C ATOM 1025 CD GLU A 68 15.167 8.430 -3.061 1.00 0.00 C ATOM 1026 OE1 GLU A 68 15.687 8.524 -1.929 1.00 0.00 O ATOM 1027 OE2 GLU A 68 13.934 8.494 -3.255 1.00 0.00 O ATOM 0 H GLU A 68 16.681 6.863 -2.034 1.00 0.00 H new ATOM 0 HA GLU A 68 17.953 6.195 -4.429 1.00 0.00 H new ATOM 0 HB2 GLU A 68 17.693 8.883 -3.021 1.00 0.00 H new ATOM 0 HB3 GLU A 68 18.120 8.672 -4.708 1.00 0.00 H new ATOM 0 HG2 GLU A 68 15.886 9.015 -4.990 1.00 0.00 H new ATOM 0 HG3 GLU A 68 15.832 7.282 -4.740 1.00 0.00 H new ATOM 1034 N SER A 69 19.989 6.908 -2.040 1.00 0.00 N ATOM 1035 CA SER A 69 21.395 6.983 -1.663 1.00 0.00 C ATOM 1036 C SER A 69 22.194 5.838 -2.282 1.00 0.00 C ATOM 1037 O SER A 69 23.421 5.898 -2.359 1.00 0.00 O ATOM 1038 CB SER A 69 21.539 6.953 -0.139 1.00 0.00 C ATOM 1039 OG SER A 69 22.886 7.152 0.251 1.00 0.00 O ATOM 0 H SER A 69 19.344 6.832 -1.253 1.00 0.00 H new ATOM 0 HA SER A 69 21.793 7.924 -2.043 1.00 0.00 H new ATOM 0 HB2 SER A 69 20.911 7.726 0.304 1.00 0.00 H new ATOM 0 HB3 SER A 69 21.184 5.996 0.244 1.00 0.00 H new ATOM 0 HG SER A 69 22.950 7.130 1.229 1.00 0.00 H new ATOM 1045 N LYS A 70 21.494 4.794 -2.719 1.00 0.00 N ATOM 1046 CA LYS A 70 22.146 3.640 -3.329 1.00 0.00 C ATOM 1047 C LYS A 70 22.878 4.034 -4.608 1.00 0.00 C ATOM 1048 O LYS A 70 24.011 3.612 -4.841 1.00 0.00 O ATOM 1049 CB LYS A 70 21.119 2.548 -3.631 1.00 0.00 C ATOM 1050 CG LYS A 70 20.453 1.978 -2.389 1.00 0.00 C ATOM 1051 CD LYS A 70 21.442 1.213 -1.528 1.00 0.00 C ATOM 1052 CE LYS A 70 20.752 0.526 -0.360 1.00 0.00 C ATOM 1053 NZ LYS A 70 21.667 0.351 0.802 1.00 0.00 N ATOM 0 H LYS A 70 20.478 4.724 -2.662 1.00 0.00 H new ATOM 0 HA LYS A 70 22.879 3.255 -2.620 1.00 0.00 H new ATOM 0 HB2 LYS A 70 20.352 2.955 -4.290 1.00 0.00 H new ATOM 0 HB3 LYS A 70 21.609 1.740 -4.173 1.00 0.00 H new ATOM 0 HG2 LYS A 70 20.013 2.788 -1.807 1.00 0.00 H new ATOM 0 HG3 LYS A 70 19.638 1.317 -2.683 1.00 0.00 H new ATOM 0 HD2 LYS A 70 21.956 0.469 -2.137 1.00 0.00 H new ATOM 0 HD3 LYS A 70 22.202 1.897 -1.151 1.00 0.00 H new ATOM 0 HE2 LYS A 70 19.886 1.113 -0.054 1.00 0.00 H new ATOM 0 HE3 LYS A 70 20.381 -0.448 -0.680 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 21.158 -0.121 1.577 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 22.481 -0.230 0.518 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 22.001 1.282 1.124 1.00 0.00 H new ATOM 1067 N LYS A 71 22.224 4.844 -5.435 1.00 0.00 N ATOM 1068 CA LYS A 71 22.816 5.290 -6.691 1.00 0.00 C ATOM 1069 C LYS A 71 23.131 4.102 -7.592 1.00 0.00 C ATOM 1070 O LYS A 71 24.204 3.503 -7.497 1.00 0.00 O ATOM 1071 CB LYS A 71 24.090 6.094 -6.422 1.00 0.00 C ATOM 1072 CG LYS A 71 23.828 7.554 -6.090 1.00 0.00 C ATOM 1073 CD LYS A 71 23.602 7.754 -4.601 1.00 0.00 C ATOM 1074 CE LYS A 71 23.406 9.223 -4.260 1.00 0.00 C ATOM 1075 NZ LYS A 71 24.479 10.078 -4.841 1.00 0.00 N ATOM 0 H LYS A 71 21.286 5.204 -5.258 1.00 0.00 H new ATOM 0 HA LYS A 71 22.094 5.929 -7.199 1.00 0.00 H new ATOM 0 HB2 LYS A 71 24.633 5.634 -5.596 1.00 0.00 H new ATOM 0 HB3 LYS A 71 24.736 6.039 -7.298 1.00 0.00 H new ATOM 0 HG2 LYS A 71 24.674 8.160 -6.415 1.00 0.00 H new ATOM 0 HG3 LYS A 71 22.955 7.903 -6.642 1.00 0.00 H new ATOM 0 HD2 LYS A 71 22.727 7.186 -4.285 1.00 0.00 H new ATOM 0 HD3 LYS A 71 24.454 7.361 -4.046 1.00 0.00 H new ATOM 0 HE2 LYS A 71 22.437 9.555 -4.631 1.00 0.00 H new ATOM 0 HE3 LYS A 71 23.391 9.345 -3.177 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 24.472 11.008 -4.376 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 25.403 9.624 -4.693 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 24.312 10.199 -5.860 1.00 0.00 H new ATOM 1089 N ARG A 72 22.189 3.762 -8.466 1.00 0.00 N ATOM 1090 CA ARG A 72 22.366 2.642 -9.383 1.00 0.00 C ATOM 1091 C ARG A 72 22.616 3.134 -10.804 1.00 0.00 C ATOM 1092 O ARG A 72 22.146 4.203 -11.194 1.00 0.00 O ATOM 1093 CB ARG A 72 21.134 1.734 -9.355 1.00 0.00 C ATOM 1094 CG ARG A 72 20.841 1.153 -7.980 1.00 0.00 C ATOM 1095 CD ARG A 72 20.489 -0.324 -8.064 1.00 0.00 C ATOM 1096 NE ARG A 72 19.884 -0.813 -6.827 1.00 0.00 N ATOM 1097 CZ ARG A 72 20.576 -1.097 -5.726 1.00 0.00 C ATOM 1098 NH1 ARG A 72 21.894 -0.945 -5.703 1.00 0.00 N ATOM 1099 NH2 ARG A 72 19.946 -1.537 -4.644 1.00 0.00 N ATOM 0 H ARG A 72 21.296 4.246 -8.558 1.00 0.00 H new ATOM 0 HA ARG A 72 23.237 2.073 -9.057 1.00 0.00 H new ATOM 0 HB2 ARG A 72 20.267 2.301 -9.694 1.00 0.00 H new ATOM 0 HB3 ARG A 72 21.278 0.918 -10.063 1.00 0.00 H new ATOM 0 HG2 ARG A 72 21.710 1.285 -7.335 1.00 0.00 H new ATOM 0 HG3 ARG A 72 20.017 1.699 -7.521 1.00 0.00 H new ATOM 0 HD2 ARG A 72 19.800 -0.486 -8.893 1.00 0.00 H new ATOM 0 HD3 ARG A 72 21.389 -0.900 -8.280 1.00 0.00 H new ATOM 0 HE ARG A 72 18.873 -0.944 -6.806 1.00 0.00 H new ATOM 0 HH11 ARG A 72 22.383 -0.609 -6.532 1.00 0.00 H new ATOM 0 HH12 ARG A 72 22.418 -1.165 -4.856 1.00 0.00 H new ATOM 0 HH21 ARG A 72 18.933 -1.657 -4.657 1.00 0.00 H new ATOM 0 HH22 ARG A 72 20.475 -1.755 -3.799 1.00 0.00 H new ATOM 1113 N LYS A 73 23.359 2.345 -11.576 1.00 0.00 N ATOM 1114 CA LYS A 73 23.673 2.700 -12.954 1.00 0.00 C ATOM 1115 C LYS A 73 22.709 2.023 -13.924 1.00 0.00 C ATOM 1116 O LYS A 73 22.218 0.925 -13.660 1.00 0.00 O ATOM 1117 CB LYS A 73 25.113 2.310 -13.291 1.00 0.00 C ATOM 1118 CG LYS A 73 26.151 3.025 -12.442 1.00 0.00 C ATOM 1119 CD LYS A 73 26.947 4.029 -13.260 1.00 0.00 C ATOM 1120 CE LYS A 73 28.245 4.410 -12.566 1.00 0.00 C ATOM 1121 NZ LYS A 73 28.585 5.845 -12.770 1.00 0.00 N ATOM 0 H LYS A 73 23.754 1.456 -11.269 1.00 0.00 H new ATOM 0 HA LYS A 73 23.565 3.780 -13.057 1.00 0.00 H new ATOM 0 HB2 LYS A 73 25.229 1.234 -13.162 1.00 0.00 H new ATOM 0 HB3 LYS A 73 25.303 2.527 -14.342 1.00 0.00 H new ATOM 0 HG2 LYS A 73 25.657 3.537 -11.617 1.00 0.00 H new ATOM 0 HG3 LYS A 73 26.829 2.293 -12.003 1.00 0.00 H new ATOM 0 HD2 LYS A 73 27.168 3.607 -14.241 1.00 0.00 H new ATOM 0 HD3 LYS A 73 26.346 4.923 -13.426 1.00 0.00 H new ATOM 0 HE2 LYS A 73 28.159 4.206 -11.499 1.00 0.00 H new ATOM 0 HE3 LYS A 73 29.055 3.788 -12.945 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 29.606 5.939 -12.944 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 28.059 6.213 -13.588 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 28.327 6.387 -11.921 1.00 0.00 H new ATOM 1135 N ASP A 74 22.445 2.685 -15.044 1.00 0.00 N ATOM 1136 CA ASP A 74 21.540 2.150 -16.054 1.00 0.00 C ATOM 1137 C ASP A 74 22.317 1.441 -17.159 1.00 0.00 C ATOM 1138 O ASP A 74 23.546 1.503 -17.206 1.00 0.00 O ATOM 1139 CB ASP A 74 20.690 3.273 -16.653 1.00 0.00 C ATOM 1140 CG ASP A 74 19.364 2.772 -17.192 1.00 0.00 C ATOM 1141 OD1 ASP A 74 19.214 1.543 -17.351 1.00 0.00 O ATOM 1142 OD2 ASP A 74 18.477 3.610 -17.454 1.00 0.00 O ATOM 0 H ASP A 74 22.845 3.594 -15.276 1.00 0.00 H new ATOM 0 HA ASP A 74 20.885 1.425 -15.572 1.00 0.00 H new ATOM 0 HB2 ASP A 74 20.506 4.031 -15.892 1.00 0.00 H new ATOM 0 HB3 ASP A 74 21.246 3.756 -17.456 1.00 0.00 H new ATOM 1147 N ASN A 75 21.591 0.766 -18.044 1.00 0.00 N ATOM 1148 CA ASN A 75 22.209 0.043 -19.151 1.00 0.00 C ATOM 1149 C ASN A 75 23.013 0.983 -20.047 1.00 0.00 C ATOM 1150 O ASN A 75 23.887 0.544 -20.794 1.00 0.00 O ATOM 1151 CB ASN A 75 21.143 -0.677 -19.975 1.00 0.00 C ATOM 1152 CG ASN A 75 20.371 -1.696 -19.159 1.00 0.00 C ATOM 1153 OD1 ASN A 75 19.140 -1.703 -19.155 1.00 0.00 O ATOM 1154 ND2 ASN A 75 21.094 -2.566 -18.462 1.00 0.00 N ATOM 0 H ASN A 75 20.573 0.704 -18.017 1.00 0.00 H new ATOM 0 HA ASN A 75 22.893 -0.693 -18.728 1.00 0.00 H new ATOM 0 HB2 ASN A 75 20.449 0.056 -20.386 1.00 0.00 H new ATOM 0 HB3 ASN A 75 21.617 -1.176 -20.820 1.00 0.00 H new ATOM 0 HD21 ASN A 75 20.630 -3.276 -17.895 1.00 0.00 H new ATOM 0 HD22 ASN A 75 22.113 -2.524 -18.494 1.00 0.00 H new ATOM 1161 N GLU A 76 22.712 2.275 -19.970 1.00 0.00 N ATOM 1162 CA GLU A 76 23.409 3.270 -20.777 1.00 0.00 C ATOM 1163 C GLU A 76 24.683 3.755 -20.086 1.00 0.00 C ATOM 1164 O GLU A 76 25.346 4.675 -20.568 1.00 0.00 O ATOM 1165 CB GLU A 76 22.488 4.460 -21.061 1.00 0.00 C ATOM 1166 CG GLU A 76 21.230 4.085 -21.827 1.00 0.00 C ATOM 1167 CD GLU A 76 20.370 5.287 -22.163 1.00 0.00 C ATOM 1168 OE1 GLU A 76 20.628 6.376 -21.607 1.00 0.00 O ATOM 1169 OE2 GLU A 76 19.440 5.141 -22.982 1.00 0.00 O ATOM 0 H GLU A 76 21.991 2.657 -19.358 1.00 0.00 H new ATOM 0 HA GLU A 76 23.691 2.797 -21.718 1.00 0.00 H new ATOM 0 HB2 GLU A 76 22.204 4.923 -20.116 1.00 0.00 H new ATOM 0 HB3 GLU A 76 23.040 5.209 -21.629 1.00 0.00 H new ATOM 0 HG2 GLU A 76 21.509 3.574 -22.748 1.00 0.00 H new ATOM 0 HG3 GLU A 76 20.646 3.379 -21.236 1.00 0.00 H new ATOM 1176 N GLY A 77 25.024 3.135 -18.959 1.00 0.00 N ATOM 1177 CA GLY A 77 26.218 3.526 -18.234 1.00 0.00 C ATOM 1178 C GLY A 77 26.034 4.817 -17.459 1.00 0.00 C ATOM 1179 O GLY A 77 27.011 5.436 -17.034 1.00 0.00 O ATOM 0 H GLY A 77 24.496 2.371 -18.537 1.00 0.00 H new ATOM 0 HA2 GLY A 77 26.497 2.729 -17.544 1.00 0.00 H new ATOM 0 HA3 GLY A 77 27.043 3.643 -18.937 1.00 0.00 H new ATOM 1183 N ASN A 78 24.782 5.226 -17.271 1.00 0.00 N ATOM 1184 CA ASN A 78 24.484 6.452 -16.539 1.00 0.00 C ATOM 1185 C ASN A 78 23.798 6.142 -15.213 1.00 0.00 C ATOM 1186 O ASN A 78 23.019 5.196 -15.111 1.00 0.00 O ATOM 1187 CB ASN A 78 23.596 7.372 -17.379 1.00 0.00 C ATOM 1188 CG ASN A 78 24.256 7.779 -18.682 1.00 0.00 C ATOM 1189 OD1 ASN A 78 25.242 8.516 -18.689 1.00 0.00 O ATOM 1190 ND2 ASN A 78 23.712 7.299 -19.795 1.00 0.00 N ATOM 0 H ASN A 78 23.961 4.728 -17.614 1.00 0.00 H new ATOM 0 HA ASN A 78 25.427 6.957 -16.332 1.00 0.00 H new ATOM 0 HB2 ASN A 78 22.654 6.867 -17.594 1.00 0.00 H new ATOM 0 HB3 ASN A 78 23.354 8.265 -16.803 1.00 0.00 H new ATOM 0 HD21 ASN A 78 24.112 7.538 -20.702 1.00 0.00 H new ATOM 0 HD22 ASN A 78 22.895 6.691 -19.742 1.00 0.00 H new ATOM 1197 N GLU A 79 24.096 6.947 -14.199 1.00 0.00 N ATOM 1198 CA GLU A 79 23.509 6.758 -12.877 1.00 0.00 C ATOM 1199 C GLU A 79 22.048 7.198 -12.861 1.00 0.00 C ATOM 1200 O GLU A 79 21.669 8.148 -13.545 1.00 0.00 O ATOM 1201 CB GLU A 79 24.301 7.539 -11.829 1.00 0.00 C ATOM 1202 CG GLU A 79 25.752 7.102 -11.710 1.00 0.00 C ATOM 1203 CD GLU A 79 26.500 7.844 -10.618 1.00 0.00 C ATOM 1204 OE1 GLU A 79 25.964 8.850 -10.108 1.00 0.00 O ATOM 1205 OE2 GLU A 79 27.621 7.416 -10.272 1.00 0.00 O ATOM 0 H GLU A 79 24.739 7.736 -14.267 1.00 0.00 H new ATOM 0 HA GLU A 79 23.551 5.696 -12.637 1.00 0.00 H new ATOM 0 HB2 GLU A 79 24.269 8.600 -12.078 1.00 0.00 H new ATOM 0 HB3 GLU A 79 23.816 7.425 -10.860 1.00 0.00 H new ATOM 0 HG2 GLU A 79 25.789 6.032 -11.507 1.00 0.00 H new ATOM 0 HG3 GLU A 79 26.255 7.264 -12.663 1.00 0.00 H new ATOM 1212 N VAL A 80 21.234 6.501 -12.075 1.00 0.00 N ATOM 1213 CA VAL A 80 19.816 6.822 -11.969 1.00 0.00 C ATOM 1214 C VAL A 80 19.385 6.922 -10.512 1.00 0.00 C ATOM 1215 O VAL A 80 20.034 6.369 -9.624 1.00 0.00 O ATOM 1216 CB VAL A 80 18.931 5.771 -12.685 1.00 0.00 C ATOM 1217 CG1 VAL A 80 19.555 5.354 -14.007 1.00 0.00 C ATOM 1218 CG2 VAL A 80 18.688 4.553 -11.796 1.00 0.00 C ATOM 0 H VAL A 80 21.532 5.711 -11.503 1.00 0.00 H new ATOM 0 HA VAL A 80 19.679 7.787 -12.458 1.00 0.00 H new ATOM 0 HB VAL A 80 17.965 6.233 -12.890 1.00 0.00 H new ATOM 0 HG11 VAL A 80 18.918 4.616 -14.493 1.00 0.00 H new ATOM 0 HG12 VAL A 80 19.657 6.226 -14.652 1.00 0.00 H new ATOM 0 HG13 VAL A 80 20.538 4.921 -13.825 1.00 0.00 H new ATOM 0 HG21 VAL A 80 18.064 3.834 -12.327 1.00 0.00 H new ATOM 0 HG22 VAL A 80 19.642 4.090 -11.545 1.00 0.00 H new ATOM 0 HG23 VAL A 80 18.184 4.865 -10.881 1.00 0.00 H new ATOM 1228 N VAL A 81 18.278 7.612 -10.279 1.00 0.00 N ATOM 1229 CA VAL A 81 17.744 7.761 -8.934 1.00 0.00 C ATOM 1230 C VAL A 81 16.572 6.804 -8.737 1.00 0.00 C ATOM 1231 O VAL A 81 15.454 7.089 -9.164 1.00 0.00 O ATOM 1232 CB VAL A 81 17.273 9.202 -8.669 1.00 0.00 C ATOM 1233 CG1 VAL A 81 16.930 9.391 -7.199 1.00 0.00 C ATOM 1234 CG2 VAL A 81 18.332 10.201 -9.109 1.00 0.00 C ATOM 0 H VAL A 81 17.732 8.077 -11.004 1.00 0.00 H new ATOM 0 HA VAL A 81 18.543 7.528 -8.230 1.00 0.00 H new ATOM 0 HB VAL A 81 16.372 9.382 -9.255 1.00 0.00 H new ATOM 0 HG11 VAL A 81 16.599 10.416 -7.031 1.00 0.00 H new ATOM 0 HG12 VAL A 81 16.133 8.702 -6.920 1.00 0.00 H new ATOM 0 HG13 VAL A 81 17.812 9.191 -6.591 1.00 0.00 H new ATOM 0 HG21 VAL A 81 17.980 11.214 -8.913 1.00 0.00 H new ATOM 0 HG22 VAL A 81 19.253 10.023 -8.554 1.00 0.00 H new ATOM 0 HG23 VAL A 81 18.523 10.083 -10.176 1.00 0.00 H new ATOM 1244 N PRO A 82 16.814 5.643 -8.102 1.00 0.00 N ATOM 1245 CA PRO A 82 15.771 4.642 -7.875 1.00 0.00 C ATOM 1246 C PRO A 82 14.465 5.256 -7.382 1.00 0.00 C ATOM 1247 O PRO A 82 14.469 6.239 -6.641 1.00 0.00 O ATOM 1248 CB PRO A 82 16.379 3.746 -6.799 1.00 0.00 C ATOM 1249 CG PRO A 82 17.848 3.825 -7.028 1.00 0.00 C ATOM 1250 CD PRO A 82 18.120 5.205 -7.570 1.00 0.00 C ATOM 0 HA PRO A 82 15.503 4.117 -8.792 1.00 0.00 H new ATOM 0 HB2 PRO A 82 16.115 4.092 -5.800 1.00 0.00 H new ATOM 0 HB3 PRO A 82 16.019 2.721 -6.887 1.00 0.00 H new ATOM 0 HG2 PRO A 82 18.395 3.657 -6.100 1.00 0.00 H new ATOM 0 HG3 PRO A 82 18.173 3.060 -7.733 1.00 0.00 H new ATOM 0 HD2 PRO A 82 18.479 5.877 -6.790 1.00 0.00 H new ATOM 0 HD3 PRO A 82 18.882 5.185 -8.349 1.00 0.00 H new ATOM 1258 N LYS A 83 13.350 4.670 -7.801 1.00 0.00 N ATOM 1259 CA LYS A 83 12.035 5.159 -7.403 1.00 0.00 C ATOM 1260 C LYS A 83 11.454 4.308 -6.281 1.00 0.00 C ATOM 1261 O LYS A 83 11.726 3.111 -6.185 1.00 0.00 O ATOM 1262 CB LYS A 83 11.083 5.172 -8.600 1.00 0.00 C ATOM 1263 CG LYS A 83 11.119 6.470 -9.391 1.00 0.00 C ATOM 1264 CD LYS A 83 10.289 6.370 -10.662 1.00 0.00 C ATOM 1265 CE LYS A 83 11.056 5.671 -11.773 1.00 0.00 C ATOM 1266 NZ LYS A 83 10.172 4.800 -12.594 1.00 0.00 N ATOM 0 H LYS A 83 13.330 3.856 -8.416 1.00 0.00 H new ATOM 0 HA LYS A 83 12.153 6.178 -7.036 1.00 0.00 H new ATOM 0 HB2 LYS A 83 11.335 4.345 -9.263 1.00 0.00 H new ATOM 0 HB3 LYS A 83 10.066 4.999 -8.247 1.00 0.00 H new ATOM 0 HG2 LYS A 83 10.743 7.285 -8.773 1.00 0.00 H new ATOM 0 HG3 LYS A 83 12.150 6.713 -9.647 1.00 0.00 H new ATOM 0 HD2 LYS A 83 9.368 5.825 -10.455 1.00 0.00 H new ATOM 0 HD3 LYS A 83 10.001 7.369 -10.990 1.00 0.00 H new ATOM 0 HE2 LYS A 83 11.527 6.416 -12.413 1.00 0.00 H new ATOM 0 HE3 LYS A 83 11.856 5.071 -11.340 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 10.733 4.341 -13.340 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 9.742 4.073 -11.988 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 9.423 5.376 -13.028 1.00 0.00 H new ATOM 1280 N PRO A 84 10.655 4.932 -5.405 1.00 0.00 N ATOM 1281 CA PRO A 84 10.034 4.261 -4.257 1.00 0.00 C ATOM 1282 C PRO A 84 8.905 3.322 -4.666 1.00 0.00 C ATOM 1283 O PRO A 84 8.233 3.545 -5.674 1.00 0.00 O ATOM 1284 CB PRO A 84 9.494 5.424 -3.415 1.00 0.00 C ATOM 1285 CG PRO A 84 10.154 6.632 -3.979 1.00 0.00 C ATOM 1286 CD PRO A 84 10.301 6.351 -5.432 1.00 0.00 C ATOM 0 HA PRO A 84 10.743 3.626 -3.726 1.00 0.00 H new ATOM 0 HB2 PRO A 84 8.409 5.495 -3.487 1.00 0.00 H new ATOM 0 HB3 PRO A 84 9.736 5.296 -2.360 1.00 0.00 H new ATOM 0 HG2 PRO A 84 9.553 7.525 -3.809 1.00 0.00 H new ATOM 0 HG3 PRO A 84 11.123 6.806 -3.511 1.00 0.00 H new ATOM 0 HD2 PRO A 84 9.379 6.536 -5.984 1.00 0.00 H new ATOM 0 HD3 PRO A 84 11.077 6.961 -5.894 1.00 0.00 H new ATOM 1294 N GLN A 85 8.700 2.273 -3.877 1.00 0.00 N ATOM 1295 CA GLN A 85 7.648 1.302 -4.156 1.00 0.00 C ATOM 1296 C GLN A 85 6.271 1.906 -3.902 1.00 0.00 C ATOM 1297 O GLN A 85 6.125 2.831 -3.103 1.00 0.00 O ATOM 1298 CB GLN A 85 7.839 0.051 -3.296 1.00 0.00 C ATOM 1299 CG GLN A 85 8.522 -1.093 -4.028 1.00 0.00 C ATOM 1300 CD GLN A 85 9.403 -1.926 -3.118 1.00 0.00 C ATOM 1301 OE1 GLN A 85 10.504 -2.326 -3.496 1.00 0.00 O ATOM 1302 NE2 GLN A 85 8.920 -2.192 -1.910 1.00 0.00 N ATOM 0 H GLN A 85 9.248 2.073 -3.040 1.00 0.00 H new ATOM 0 HA GLN A 85 7.713 1.023 -5.208 1.00 0.00 H new ATOM 0 HB2 GLN A 85 8.428 0.311 -2.417 1.00 0.00 H new ATOM 0 HB3 GLN A 85 6.866 -0.287 -2.939 1.00 0.00 H new ATOM 0 HG2 GLN A 85 7.765 -1.734 -4.480 1.00 0.00 H new ATOM 0 HG3 GLN A 85 9.125 -0.690 -4.842 1.00 0.00 H new ATOM 0 HE21 GLN A 85 8.002 -1.840 -1.639 1.00 0.00 H new ATOM 0 HE22 GLN A 85 9.467 -2.749 -1.253 1.00 0.00 H new ATOM 1311 N ARG A 86 5.262 1.378 -4.589 1.00 0.00 N ATOM 1312 CA ARG A 86 3.896 1.866 -4.435 1.00 0.00 C ATOM 1313 C ARG A 86 2.887 0.793 -4.838 1.00 0.00 C ATOM 1314 O ARG A 86 2.880 0.334 -5.981 1.00 0.00 O ATOM 1315 CB ARG A 86 3.687 3.123 -5.283 1.00 0.00 C ATOM 1316 CG ARG A 86 3.879 4.417 -4.508 1.00 0.00 C ATOM 1317 CD ARG A 86 5.108 5.176 -4.981 1.00 0.00 C ATOM 1318 NE ARG A 86 4.850 5.929 -6.205 1.00 0.00 N ATOM 1319 CZ ARG A 86 5.612 6.933 -6.635 1.00 0.00 C ATOM 1320 NH1 ARG A 86 6.680 7.307 -5.941 1.00 0.00 N ATOM 1321 NH2 ARG A 86 5.305 7.564 -7.761 1.00 0.00 N ATOM 0 H ARG A 86 5.365 0.614 -5.256 1.00 0.00 H new ATOM 0 HA ARG A 86 3.738 2.112 -3.385 1.00 0.00 H new ATOM 0 HB2 ARG A 86 4.382 3.105 -6.122 1.00 0.00 H new ATOM 0 HB3 ARG A 86 2.681 3.106 -5.702 1.00 0.00 H new ATOM 0 HG2 ARG A 86 2.996 5.045 -4.624 1.00 0.00 H new ATOM 0 HG3 ARG A 86 3.975 4.194 -3.445 1.00 0.00 H new ATOM 0 HD2 ARG A 86 5.436 5.859 -4.198 1.00 0.00 H new ATOM 0 HD3 ARG A 86 5.924 4.474 -5.153 1.00 0.00 H new ATOM 0 HE ARG A 86 4.037 5.671 -6.764 1.00 0.00 H new ATOM 0 HH11 ARG A 86 6.920 6.825 -5.075 1.00 0.00 H new ATOM 0 HH12 ARG A 86 7.261 8.076 -6.274 1.00 0.00 H new ATOM 0 HH21 ARG A 86 4.485 7.280 -8.297 1.00 0.00 H new ATOM 0 HH22 ARG A 86 5.889 8.333 -8.090 1.00 0.00 H new ATOM 1335 N HIS A 87 2.035 0.401 -3.897 1.00 0.00 N ATOM 1336 CA HIS A 87 1.020 -0.613 -4.160 1.00 0.00 C ATOM 1337 C HIS A 87 -0.337 0.038 -4.405 1.00 0.00 C ATOM 1338 O HIS A 87 -0.588 1.155 -3.955 1.00 0.00 O ATOM 1339 CB HIS A 87 0.924 -1.592 -2.988 1.00 0.00 C ATOM 1340 CG HIS A 87 2.240 -2.175 -2.580 1.00 0.00 C ATOM 1341 ND1 HIS A 87 2.740 -3.348 -3.104 1.00 0.00 N ATOM 1342 CD2 HIS A 87 3.163 -1.741 -1.689 1.00 0.00 C ATOM 1343 CE1 HIS A 87 3.911 -3.613 -2.552 1.00 0.00 C ATOM 1344 NE2 HIS A 87 4.191 -2.652 -1.691 1.00 0.00 N ATOM 0 H HIS A 87 2.027 0.770 -2.946 1.00 0.00 H new ATOM 0 HA HIS A 87 1.312 -1.162 -5.055 1.00 0.00 H new ATOM 0 HB2 HIS A 87 0.484 -1.079 -2.133 1.00 0.00 H new ATOM 0 HB3 HIS A 87 0.246 -2.402 -3.258 1.00 0.00 H new ATOM 0 HD2 HIS A 87 3.102 -0.845 -1.089 1.00 0.00 H new ATOM 0 HE1 HIS A 87 4.533 -4.469 -2.768 1.00 0.00 H new ATOM 0 HE2 HIS A 87 5.034 -2.595 -1.120 1.00 0.00 H new ATOM 1353 N MET A 88 -1.210 -0.664 -5.122 1.00 0.00 N ATOM 1354 CA MET A 88 -2.539 -0.142 -5.422 1.00 0.00 C ATOM 1355 C MET A 88 -3.623 -1.153 -5.066 1.00 0.00 C ATOM 1356 O MET A 88 -3.601 -2.294 -5.530 1.00 0.00 O ATOM 1357 CB MET A 88 -2.643 0.235 -6.901 1.00 0.00 C ATOM 1358 CG MET A 88 -3.954 0.914 -7.262 1.00 0.00 C ATOM 1359 SD MET A 88 -4.108 1.236 -9.030 1.00 0.00 S ATOM 1360 CE MET A 88 -5.666 2.119 -9.080 1.00 0.00 C ATOM 0 H MET A 88 -1.022 -1.591 -5.504 1.00 0.00 H new ATOM 0 HA MET A 88 -2.691 0.750 -4.814 1.00 0.00 H new ATOM 0 HB2 MET A 88 -1.817 0.898 -7.158 1.00 0.00 H new ATOM 0 HB3 MET A 88 -2.530 -0.665 -7.506 1.00 0.00 H new ATOM 0 HG2 MET A 88 -4.784 0.287 -6.937 1.00 0.00 H new ATOM 0 HG3 MET A 88 -4.033 1.855 -6.717 1.00 0.00 H new ATOM 0 HE1 MET A 88 -5.797 2.570 -10.063 1.00 0.00 H new ATOM 0 HE2 MET A 88 -6.484 1.425 -8.887 1.00 0.00 H new ATOM 0 HE3 MET A 88 -5.666 2.900 -8.320 1.00 0.00 H new ATOM 1370 N PHE A 89 -4.575 -0.721 -4.246 1.00 0.00 N ATOM 1371 CA PHE A 89 -5.676 -1.579 -3.829 1.00 0.00 C ATOM 1372 C PHE A 89 -7.009 -0.863 -4.012 1.00 0.00 C ATOM 1373 O PHE A 89 -7.097 0.354 -3.853 1.00 0.00 O ATOM 1374 CB PHE A 89 -5.505 -1.993 -2.366 1.00 0.00 C ATOM 1375 CG PHE A 89 -4.300 -2.858 -2.121 1.00 0.00 C ATOM 1376 CD1 PHE A 89 -3.056 -2.289 -1.904 1.00 0.00 C ATOM 1377 CD2 PHE A 89 -4.415 -4.238 -2.108 1.00 0.00 C ATOM 1378 CE1 PHE A 89 -1.946 -3.083 -1.678 1.00 0.00 C ATOM 1379 CE2 PHE A 89 -3.309 -5.037 -1.881 1.00 0.00 C ATOM 1380 CZ PHE A 89 -2.074 -4.459 -1.666 1.00 0.00 C ATOM 0 H PHE A 89 -4.605 0.221 -3.856 1.00 0.00 H new ATOM 0 HA PHE A 89 -5.668 -2.473 -4.453 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -5.430 -1.097 -1.750 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -6.398 -2.528 -2.042 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -2.951 -1.214 -1.911 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -5.379 -4.695 -2.277 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -0.981 -2.628 -1.511 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -3.412 -6.112 -1.872 1.00 0.00 H new ATOM 0 HZ PHE A 89 -1.209 -5.081 -1.489 1.00 0.00 H new ATOM 1390 N SER A 90 -8.048 -1.622 -4.348 1.00 0.00 N ATOM 1391 CA SER A 90 -9.375 -1.050 -4.550 1.00 0.00 C ATOM 1392 C SER A 90 -10.382 -1.648 -3.573 1.00 0.00 C ATOM 1393 O SER A 90 -10.435 -2.862 -3.386 1.00 0.00 O ATOM 1394 CB SER A 90 -9.838 -1.274 -5.991 1.00 0.00 C ATOM 1395 OG SER A 90 -11.242 -1.126 -6.107 1.00 0.00 O ATOM 0 H SER A 90 -7.997 -2.631 -4.486 1.00 0.00 H new ATOM 0 HA SER A 90 -9.314 0.022 -4.362 1.00 0.00 H new ATOM 0 HB2 SER A 90 -9.339 -0.564 -6.651 1.00 0.00 H new ATOM 0 HB3 SER A 90 -9.547 -2.272 -6.318 1.00 0.00 H new ATOM 0 HG SER A 90 -11.511 -1.273 -7.038 1.00 0.00 H new ATOM 1401 N PHE A 91 -11.179 -0.786 -2.954 1.00 0.00 N ATOM 1402 CA PHE A 91 -12.185 -1.226 -1.997 1.00 0.00 C ATOM 1403 C PHE A 91 -13.561 -0.694 -2.375 1.00 0.00 C ATOM 1404 O PHE A 91 -13.706 0.474 -2.735 1.00 0.00 O ATOM 1405 CB PHE A 91 -11.819 -0.756 -0.589 1.00 0.00 C ATOM 1406 CG PHE A 91 -10.460 -1.213 -0.132 1.00 0.00 C ATOM 1407 CD1 PHE A 91 -9.316 -0.793 -0.792 1.00 0.00 C ATOM 1408 CD2 PHE A 91 -10.329 -2.060 0.957 1.00 0.00 C ATOM 1409 CE1 PHE A 91 -8.066 -1.211 -0.375 1.00 0.00 C ATOM 1410 CE2 PHE A 91 -9.082 -2.481 1.378 1.00 0.00 C ATOM 1411 CZ PHE A 91 -7.949 -2.056 0.713 1.00 0.00 C ATOM 0 H PHE A 91 -11.148 0.223 -3.098 1.00 0.00 H new ATOM 0 HA PHE A 91 -12.215 -2.315 -2.015 1.00 0.00 H new ATOM 0 HB2 PHE A 91 -11.856 0.333 -0.558 1.00 0.00 H new ATOM 0 HB3 PHE A 91 -12.570 -1.120 0.112 1.00 0.00 H new ATOM 0 HD1 PHE A 91 -9.402 -0.132 -1.642 1.00 0.00 H new ATOM 0 HD2 PHE A 91 -11.211 -2.395 1.482 1.00 0.00 H new ATOM 0 HE1 PHE A 91 -7.182 -0.878 -0.898 1.00 0.00 H new ATOM 0 HE2 PHE A 91 -8.994 -3.142 2.227 1.00 0.00 H new ATOM 0 HZ PHE A 91 -6.974 -2.383 1.042 1.00 0.00 H new ATOM 1421 N ASN A 92 -14.572 -1.550 -2.288 1.00 0.00 N ATOM 1422 CA ASN A 92 -15.935 -1.150 -2.620 1.00 0.00 C ATOM 1423 C ASN A 92 -16.717 -0.774 -1.366 1.00 0.00 C ATOM 1424 O ASN A 92 -17.949 -0.798 -1.360 1.00 0.00 O ATOM 1425 CB ASN A 92 -16.658 -2.271 -3.362 1.00 0.00 C ATOM 1426 CG ASN A 92 -15.888 -2.754 -4.577 1.00 0.00 C ATOM 1427 OD1 ASN A 92 -15.028 -2.048 -5.102 1.00 0.00 O ATOM 1428 ND2 ASN A 92 -16.197 -3.963 -5.030 1.00 0.00 N ATOM 0 H ASN A 92 -14.475 -2.521 -1.992 1.00 0.00 H new ATOM 0 HA ASN A 92 -15.875 -0.275 -3.267 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -16.819 -3.107 -2.682 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -17.641 -1.920 -3.675 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -15.714 -4.341 -5.845 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -16.917 -4.514 -4.563 1.00 0.00 H new ATOM 1435 N ASN A 93 -15.997 -0.421 -0.306 1.00 0.00 N ATOM 1436 CA ASN A 93 -16.623 -0.034 0.950 1.00 0.00 C ATOM 1437 C ASN A 93 -15.815 1.061 1.636 1.00 0.00 C ATOM 1438 O ASN A 93 -14.733 0.808 2.165 1.00 0.00 O ATOM 1439 CB ASN A 93 -16.753 -1.246 1.873 1.00 0.00 C ATOM 1440 CG ASN A 93 -17.615 -2.340 1.274 1.00 0.00 C ATOM 1441 OD1 ASN A 93 -18.706 -2.078 0.766 1.00 0.00 O ATOM 1442 ND2 ASN A 93 -17.128 -3.574 1.328 1.00 0.00 N ATOM 0 H ASN A 93 -14.977 -0.395 -0.294 1.00 0.00 H new ATOM 0 HA ASN A 93 -17.619 0.353 0.733 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -15.761 -1.645 2.086 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -17.181 -0.930 2.824 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -17.663 -4.351 0.939 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -16.219 -3.745 1.758 1.00 0.00 H new ATOM 1449 N ARG A 94 -16.345 2.280 1.620 1.00 0.00 N ATOM 1450 CA ARG A 94 -15.666 3.415 2.236 1.00 0.00 C ATOM 1451 C ARG A 94 -15.291 3.110 3.682 1.00 0.00 C ATOM 1452 O ARG A 94 -14.315 3.642 4.211 1.00 0.00 O ATOM 1453 CB ARG A 94 -16.551 4.662 2.178 1.00 0.00 C ATOM 1454 CG ARG A 94 -16.619 5.297 0.800 1.00 0.00 C ATOM 1455 CD ARG A 94 -17.862 4.855 0.043 1.00 0.00 C ATOM 1456 NE ARG A 94 -17.992 5.537 -1.243 1.00 0.00 N ATOM 1457 CZ ARG A 94 -19.045 5.413 -2.046 1.00 0.00 C ATOM 1458 NH1 ARG A 94 -20.064 4.636 -1.700 1.00 0.00 N ATOM 1459 NH2 ARG A 94 -19.082 6.069 -3.198 1.00 0.00 N ATOM 0 H ARG A 94 -17.241 2.507 1.188 1.00 0.00 H new ATOM 0 HA ARG A 94 -14.750 3.602 1.675 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -17.559 4.397 2.497 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -16.175 5.397 2.889 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -16.618 6.383 0.898 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -15.730 5.028 0.230 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -17.823 3.778 -0.120 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -18.746 5.054 0.650 1.00 0.00 H new ATOM 0 HE ARG A 94 -17.229 6.145 -1.543 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -20.042 4.130 -0.814 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -20.869 4.545 -2.320 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -18.303 6.669 -3.469 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -19.890 5.974 -3.814 1.00 0.00 H new ATOM 1473 N THR A 95 -16.078 2.251 4.313 1.00 0.00 N ATOM 1474 CA THR A 95 -15.856 1.864 5.684 1.00 0.00 C ATOM 1475 C THR A 95 -14.715 0.856 5.798 1.00 0.00 C ATOM 1476 O THR A 95 -13.755 1.074 6.539 1.00 0.00 O ATOM 1477 CB THR A 95 -17.140 1.269 6.229 1.00 0.00 C ATOM 1478 OG1 THR A 95 -18.235 1.566 5.380 1.00 0.00 O ATOM 1479 CG2 THR A 95 -17.487 1.770 7.605 1.00 0.00 C ATOM 0 H THR A 95 -16.888 1.806 3.881 1.00 0.00 H new ATOM 0 HA THR A 95 -15.572 2.743 6.263 1.00 0.00 H new ATOM 0 HB THR A 95 -16.960 0.195 6.280 1.00 0.00 H new ATOM 0 HG1 THR A 95 -19.052 1.171 5.750 1.00 0.00 H new ATOM 0 HG21 THR A 95 -18.416 1.306 7.938 1.00 0.00 H new ATOM 0 HG22 THR A 95 -16.685 1.515 8.298 1.00 0.00 H new ATOM 0 HG23 THR A 95 -17.611 2.853 7.577 1.00 0.00 H new ATOM 1487 N VAL A 96 -14.824 -0.244 5.059 1.00 0.00 N ATOM 1488 CA VAL A 96 -13.797 -1.282 5.080 1.00 0.00 C ATOM 1489 C VAL A 96 -12.424 -0.693 4.779 1.00 0.00 C ATOM 1490 O VAL A 96 -11.450 -0.971 5.478 1.00 0.00 O ATOM 1491 CB VAL A 96 -14.104 -2.402 4.067 1.00 0.00 C ATOM 1492 CG1 VAL A 96 -13.053 -3.499 4.141 1.00 0.00 C ATOM 1493 CG2 VAL A 96 -15.494 -2.973 4.307 1.00 0.00 C ATOM 0 H VAL A 96 -15.610 -0.440 4.440 1.00 0.00 H new ATOM 0 HA VAL A 96 -13.795 -1.709 6.083 1.00 0.00 H new ATOM 0 HB VAL A 96 -14.077 -1.973 3.065 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -13.290 -4.279 3.417 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -12.073 -3.080 3.915 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -13.042 -3.926 5.144 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -15.693 -3.762 3.582 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -15.550 -3.383 5.315 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -16.236 -2.183 4.196 1.00 0.00 H new ATOM 1503 N MET A 97 -12.356 0.130 3.739 1.00 0.00 N ATOM 1504 CA MET A 97 -11.103 0.765 3.356 1.00 0.00 C ATOM 1505 C MET A 97 -10.609 1.675 4.473 1.00 0.00 C ATOM 1506 O MET A 97 -9.406 1.785 4.712 1.00 0.00 O ATOM 1507 CB MET A 97 -11.282 1.570 2.069 1.00 0.00 C ATOM 1508 CG MET A 97 -12.528 2.439 2.061 1.00 0.00 C ATOM 1509 SD MET A 97 -12.155 4.196 1.895 1.00 0.00 S ATOM 1510 CE MET A 97 -11.210 4.196 0.374 1.00 0.00 C ATOM 0 H MET A 97 -13.152 0.372 3.148 1.00 0.00 H new ATOM 0 HA MET A 97 -10.362 -0.015 3.181 1.00 0.00 H new ATOM 0 HB2 MET A 97 -10.407 2.203 1.922 1.00 0.00 H new ATOM 0 HB3 MET A 97 -11.323 0.883 1.224 1.00 0.00 H new ATOM 0 HG2 MET A 97 -13.175 2.131 1.240 1.00 0.00 H new ATOM 0 HG3 MET A 97 -13.085 2.276 2.984 1.00 0.00 H new ATOM 0 HE1 MET A 97 -11.562 4.999 -0.273 1.00 0.00 H new ATOM 0 HE2 MET A 97 -10.155 4.349 0.601 1.00 0.00 H new ATOM 0 HE3 MET A 97 -11.337 3.240 -0.133 1.00 0.00 H new ATOM 1520 N ASP A 98 -11.547 2.319 5.162 1.00 0.00 N ATOM 1521 CA ASP A 98 -11.206 3.211 6.261 1.00 0.00 C ATOM 1522 C ASP A 98 -10.589 2.430 7.411 1.00 0.00 C ATOM 1523 O ASP A 98 -9.721 2.930 8.123 1.00 0.00 O ATOM 1524 CB ASP A 98 -12.446 3.968 6.741 1.00 0.00 C ATOM 1525 CG ASP A 98 -12.115 5.032 7.767 1.00 0.00 C ATOM 1526 OD1 ASP A 98 -10.924 5.391 7.890 1.00 0.00 O ATOM 1527 OD2 ASP A 98 -13.045 5.509 8.451 1.00 0.00 O ATOM 0 H ASP A 98 -12.547 2.239 4.978 1.00 0.00 H new ATOM 0 HA ASP A 98 -10.474 3.934 5.900 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -12.938 4.433 5.886 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -13.155 3.261 7.171 1.00 0.00 H new ATOM 1532 N ASN A 99 -11.040 1.195 7.578 1.00 0.00 N ATOM 1533 CA ASN A 99 -10.526 0.335 8.634 1.00 0.00 C ATOM 1534 C ASN A 99 -9.066 -0.010 8.365 1.00 0.00 C ATOM 1535 O ASN A 99 -8.240 -0.016 9.277 1.00 0.00 O ATOM 1536 CB ASN A 99 -11.357 -0.946 8.735 1.00 0.00 C ATOM 1537 CG ASN A 99 -12.809 -0.666 9.071 1.00 0.00 C ATOM 1538 OD1 ASN A 99 -13.119 0.272 9.805 1.00 0.00 O ATOM 1539 ND2 ASN A 99 -13.707 -1.483 8.534 1.00 0.00 N ATOM 0 H ASN A 99 -11.760 0.766 6.996 1.00 0.00 H new ATOM 0 HA ASN A 99 -10.596 0.870 9.581 1.00 0.00 H new ATOM 0 HB2 ASN A 99 -11.303 -1.487 7.790 1.00 0.00 H new ATOM 0 HB3 ASN A 99 -10.928 -1.595 9.499 1.00 0.00 H new ATOM 0 HD21 ASN A 99 -14.700 -1.346 8.724 1.00 0.00 H new ATOM 0 HD22 ASN A 99 -13.404 -2.248 7.931 1.00 0.00 H new ATOM 1546 N ILE A 100 -8.758 -0.282 7.101 1.00 0.00 N ATOM 1547 CA ILE A 100 -7.398 -0.616 6.698 1.00 0.00 C ATOM 1548 C ILE A 100 -6.477 0.583 6.882 1.00 0.00 C ATOM 1549 O ILE A 100 -5.401 0.470 7.469 1.00 0.00 O ATOM 1550 CB ILE A 100 -7.350 -1.069 5.224 1.00 0.00 C ATOM 1551 CG1 ILE A 100 -8.335 -2.213 4.987 1.00 0.00 C ATOM 1552 CG2 ILE A 100 -5.939 -1.488 4.837 1.00 0.00 C ATOM 1553 CD1 ILE A 100 -7.926 -3.511 5.648 1.00 0.00 C ATOM 0 H ILE A 100 -9.434 -0.277 6.337 1.00 0.00 H new ATOM 0 HA ILE A 100 -7.060 -1.436 7.331 1.00 0.00 H new ATOM 0 HB ILE A 100 -7.640 -0.227 4.595 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -9.317 -1.919 5.359 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -8.437 -2.377 3.914 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -5.926 -1.804 3.794 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -5.260 -0.646 4.969 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -5.618 -2.315 5.470 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -8.672 -4.278 5.437 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -6.959 -3.829 5.258 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -7.852 -3.363 6.725 1.00 0.00 H new ATOM 1565 N LYS A 101 -6.914 1.734 6.383 1.00 0.00 N ATOM 1566 CA LYS A 101 -6.136 2.959 6.496 1.00 0.00 C ATOM 1567 C LYS A 101 -6.033 3.396 7.954 1.00 0.00 C ATOM 1568 O LYS A 101 -5.068 4.050 8.353 1.00 0.00 O ATOM 1569 CB LYS A 101 -6.762 4.070 5.641 1.00 0.00 C ATOM 1570 CG LYS A 101 -7.880 4.837 6.330 1.00 0.00 C ATOM 1571 CD LYS A 101 -8.494 5.876 5.406 1.00 0.00 C ATOM 1572 CE LYS A 101 -9.140 7.009 6.186 1.00 0.00 C ATOM 1573 NZ LYS A 101 -8.327 8.255 6.132 1.00 0.00 N ATOM 0 H LYS A 101 -7.804 1.843 5.896 1.00 0.00 H new ATOM 0 HA LYS A 101 -5.129 2.765 6.126 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -5.981 4.773 5.351 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -7.152 3.630 4.723 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -8.651 4.141 6.660 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -7.490 5.327 7.222 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -7.724 6.279 4.749 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -9.240 5.401 4.769 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -10.134 7.206 5.784 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -9.271 6.706 7.225 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -8.802 9.003 6.676 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -7.387 8.074 6.539 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -8.223 8.559 5.143 1.00 0.00 H new ATOM 1587 N MET A 102 -7.033 3.024 8.742 1.00 0.00 N ATOM 1588 CA MET A 102 -7.064 3.366 10.156 1.00 0.00 C ATOM 1589 C MET A 102 -6.150 2.445 10.950 1.00 0.00 C ATOM 1590 O MET A 102 -5.467 2.879 11.876 1.00 0.00 O ATOM 1591 CB MET A 102 -8.492 3.281 10.699 1.00 0.00 C ATOM 1592 CG MET A 102 -9.292 4.559 10.508 1.00 0.00 C ATOM 1593 SD MET A 102 -10.867 4.532 11.386 1.00 0.00 S ATOM 1594 CE MET A 102 -11.645 3.102 10.639 1.00 0.00 C ATOM 0 H MET A 102 -7.837 2.483 8.423 1.00 0.00 H new ATOM 0 HA MET A 102 -6.708 4.391 10.265 1.00 0.00 H new ATOM 0 HB2 MET A 102 -9.011 2.460 10.205 1.00 0.00 H new ATOM 0 HB3 MET A 102 -8.454 3.041 11.762 1.00 0.00 H new ATOM 0 HG2 MET A 102 -8.702 5.407 10.855 1.00 0.00 H new ATOM 0 HG3 MET A 102 -9.476 4.712 9.445 1.00 0.00 H new ATOM 0 HE1 MET A 102 -12.724 3.160 10.780 1.00 0.00 H new ATOM 0 HE2 MET A 102 -11.419 3.080 9.573 1.00 0.00 H new ATOM 0 HE3 MET A 102 -11.265 2.194 11.109 1.00 0.00 H new ATOM 1604 N THR A 103 -6.140 1.169 10.578 1.00 0.00 N ATOM 1605 CA THR A 103 -5.306 0.192 11.256 1.00 0.00 C ATOM 1606 C THR A 103 -3.868 0.267 10.749 1.00 0.00 C ATOM 1607 O THR A 103 -2.923 0.018 11.497 1.00 0.00 O ATOM 1608 CB THR A 103 -5.890 -1.208 11.071 1.00 0.00 C ATOM 1609 OG1 THR A 103 -6.368 -1.718 12.303 1.00 0.00 O ATOM 1610 CG2 THR A 103 -4.899 -2.195 10.523 1.00 0.00 C ATOM 0 H THR A 103 -6.699 0.792 9.813 1.00 0.00 H new ATOM 0 HA THR A 103 -5.289 0.417 12.322 1.00 0.00 H new ATOM 0 HB THR A 103 -6.700 -1.092 10.351 1.00 0.00 H new ATOM 0 HG1 THR A 103 -6.912 -2.516 12.138 1.00 0.00 H new ATOM 0 HG21 THR A 103 -5.377 -3.169 10.416 1.00 0.00 H new ATOM 0 HG22 THR A 103 -4.547 -1.854 9.549 1.00 0.00 H new ATOM 0 HG23 THR A 103 -4.054 -2.279 11.206 1.00 0.00 H new ATOM 1618 N LEU A 104 -3.709 0.615 9.476 1.00 0.00 N ATOM 1619 CA LEU A 104 -2.386 0.726 8.880 1.00 0.00 C ATOM 1620 C LEU A 104 -1.606 1.869 9.515 1.00 0.00 C ATOM 1621 O LEU A 104 -0.406 1.756 9.758 1.00 0.00 O ATOM 1622 CB LEU A 104 -2.496 0.939 7.369 1.00 0.00 C ATOM 1623 CG LEU A 104 -2.549 -0.344 6.538 1.00 0.00 C ATOM 1624 CD1 LEU A 104 -2.845 -0.024 5.081 1.00 0.00 C ATOM 1625 CD2 LEU A 104 -1.242 -1.113 6.662 1.00 0.00 C ATOM 0 H LEU A 104 -4.479 0.824 8.840 1.00 0.00 H new ATOM 0 HA LEU A 104 -1.850 -0.205 9.064 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -3.392 1.524 7.164 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -1.645 1.534 7.038 1.00 0.00 H new ATOM 0 HG LEU A 104 -3.354 -0.970 6.922 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -2.879 -0.949 4.505 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -3.806 0.484 5.008 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -2.062 0.622 4.684 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -1.297 -2.023 6.064 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -0.420 -0.493 6.304 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -1.071 -1.375 7.706 1.00 0.00 H new ATOM 1637 N GLN A 105 -2.299 2.970 9.788 1.00 0.00 N ATOM 1638 CA GLN A 105 -1.673 4.135 10.402 1.00 0.00 C ATOM 1639 C GLN A 105 -1.142 3.798 11.790 1.00 0.00 C ATOM 1640 O GLN A 105 -0.193 4.417 12.272 1.00 0.00 O ATOM 1641 CB GLN A 105 -2.671 5.292 10.487 1.00 0.00 C ATOM 1642 CG GLN A 105 -2.470 6.348 9.413 1.00 0.00 C ATOM 1643 CD GLN A 105 -3.391 7.540 9.587 1.00 0.00 C ATOM 1644 OE1 GLN A 105 -4.610 7.390 9.670 1.00 0.00 O ATOM 1645 NE2 GLN A 105 -2.810 8.734 9.642 1.00 0.00 N ATOM 0 H GLN A 105 -3.294 3.080 9.594 1.00 0.00 H new ATOM 0 HA GLN A 105 -0.833 4.438 9.777 1.00 0.00 H new ATOM 0 HB2 GLN A 105 -3.683 4.895 10.409 1.00 0.00 H new ATOM 0 HB3 GLN A 105 -2.587 5.762 11.467 1.00 0.00 H new ATOM 0 HG2 GLN A 105 -1.435 6.688 9.432 1.00 0.00 H new ATOM 0 HG3 GLN A 105 -2.641 5.902 8.433 1.00 0.00 H new ATOM 0 HE21 GLN A 105 -1.796 8.811 9.569 1.00 0.00 H new ATOM 0 HE22 GLN A 105 -3.379 9.573 9.757 1.00 0.00 H new ATOM 1654 N GLN A 106 -1.760 2.810 12.425 1.00 0.00 N ATOM 1655 CA GLN A 106 -1.350 2.386 13.758 1.00 0.00 C ATOM 1656 C GLN A 106 0.000 1.679 13.714 1.00 0.00 C ATOM 1657 O GLN A 106 0.867 1.925 14.552 1.00 0.00 O ATOM 1658 CB GLN A 106 -2.404 1.458 14.365 1.00 0.00 C ATOM 1659 CG GLN A 106 -3.754 2.125 14.575 1.00 0.00 C ATOM 1660 CD GLN A 106 -4.795 1.173 15.129 1.00 0.00 C ATOM 1661 OE1 GLN A 106 -4.568 -0.034 15.210 1.00 0.00 O ATOM 1662 NE2 GLN A 106 -5.945 1.712 15.513 1.00 0.00 N ATOM 0 H GLN A 106 -2.546 2.288 12.039 1.00 0.00 H new ATOM 0 HA GLN A 106 -1.253 3.275 14.381 1.00 0.00 H new ATOM 0 HB2 GLN A 106 -2.533 0.593 13.714 1.00 0.00 H new ATOM 0 HB3 GLN A 106 -2.040 1.085 15.322 1.00 0.00 H new ATOM 0 HG2 GLN A 106 -3.637 2.967 15.258 1.00 0.00 H new ATOM 0 HG3 GLN A 106 -4.106 2.531 13.627 1.00 0.00 H new ATOM 0 HE21 GLN A 106 -6.090 2.718 15.428 1.00 0.00 H new ATOM 0 HE22 GLN A 106 -6.684 1.120 15.893 1.00 0.00 H new ATOM 1671 N ILE A 107 0.172 0.800 12.732 1.00 0.00 N ATOM 1672 CA ILE A 107 1.418 0.055 12.582 1.00 0.00 C ATOM 1673 C ILE A 107 2.594 0.988 12.331 1.00 0.00 C ATOM 1674 O ILE A 107 3.639 0.866 12.965 1.00 0.00 O ATOM 1675 CB ILE A 107 1.323 -0.974 11.437 1.00 0.00 C ATOM 1676 CG1 ILE A 107 0.129 -1.905 11.658 1.00 0.00 C ATOM 1677 CG2 ILE A 107 2.614 -1.775 11.329 1.00 0.00 C ATOM 1678 CD1 ILE A 107 -0.728 -2.090 10.424 1.00 0.00 C ATOM 0 H ILE A 107 -0.535 0.586 12.028 1.00 0.00 H new ATOM 0 HA ILE A 107 1.584 -0.476 13.519 1.00 0.00 H new ATOM 0 HB ILE A 107 1.175 -0.437 10.500 1.00 0.00 H new ATOM 0 HG12 ILE A 107 0.493 -2.878 11.987 1.00 0.00 H new ATOM 0 HG13 ILE A 107 -0.488 -1.507 12.463 1.00 0.00 H new ATOM 0 HG21 ILE A 107 2.528 -2.496 10.516 1.00 0.00 H new ATOM 0 HG22 ILE A 107 3.446 -1.099 11.129 1.00 0.00 H new ATOM 0 HG23 ILE A 107 2.793 -2.304 12.265 1.00 0.00 H new ATOM 0 HD11 ILE A 107 -1.555 -2.762 10.653 1.00 0.00 H new ATOM 0 HD12 ILE A 107 -1.122 -1.124 10.106 1.00 0.00 H new ATOM 0 HD13 ILE A 107 -0.125 -2.517 9.623 1.00 0.00 H new ATOM 1690 N ILE A 108 2.419 1.932 11.415 1.00 0.00 N ATOM 1691 CA ILE A 108 3.479 2.889 11.112 1.00 0.00 C ATOM 1692 C ILE A 108 3.867 3.622 12.374 1.00 0.00 C ATOM 1693 O ILE A 108 5.010 3.573 12.828 1.00 0.00 O ATOM 1694 CB ILE A 108 3.044 3.942 10.073 1.00 0.00 C ATOM 1695 CG1 ILE A 108 2.186 3.321 8.976 1.00 0.00 C ATOM 1696 CG2 ILE A 108 4.262 4.625 9.473 1.00 0.00 C ATOM 1697 CD1 ILE A 108 1.190 4.292 8.386 1.00 0.00 C ATOM 0 H ILE A 108 1.564 2.056 10.873 1.00 0.00 H new ATOM 0 HA ILE A 108 4.313 2.320 10.702 1.00 0.00 H new ATOM 0 HB ILE A 108 2.437 4.688 10.586 1.00 0.00 H new ATOM 0 HG12 ILE A 108 2.834 2.947 8.183 1.00 0.00 H new ATOM 0 HG13 ILE A 108 1.651 2.462 9.382 1.00 0.00 H new ATOM 0 HG21 ILE A 108 3.940 5.366 8.741 1.00 0.00 H new ATOM 0 HG22 ILE A 108 4.829 5.118 10.263 1.00 0.00 H new ATOM 0 HG23 ILE A 108 4.892 3.882 8.984 1.00 0.00 H new ATOM 0 HD11 ILE A 108 0.609 3.792 7.611 1.00 0.00 H new ATOM 0 HD12 ILE A 108 0.520 4.647 9.169 1.00 0.00 H new ATOM 0 HD13 ILE A 108 1.721 5.139 7.951 1.00 0.00 H new ATOM 1709 N SER A 109 2.882 4.296 12.928 1.00 0.00 N ATOM 1710 CA SER A 109 3.058 5.060 14.156 1.00 0.00 C ATOM 1711 C SER A 109 3.759 4.230 15.229 1.00 0.00 C ATOM 1712 O SER A 109 4.461 4.770 16.083 1.00 0.00 O ATOM 1713 CB SER A 109 1.705 5.551 14.677 1.00 0.00 C ATOM 1714 OG SER A 109 1.020 6.299 13.689 1.00 0.00 O ATOM 0 H SER A 109 1.937 4.333 12.545 1.00 0.00 H new ATOM 0 HA SER A 109 3.686 5.920 13.925 1.00 0.00 H new ATOM 0 HB2 SER A 109 1.097 4.698 14.979 1.00 0.00 H new ATOM 0 HB3 SER A 109 1.855 6.166 15.564 1.00 0.00 H new ATOM 0 HG SER A 109 0.396 5.715 13.211 1.00 0.00 H new ATOM 1720 N ARG A 110 3.570 2.915 15.175 1.00 0.00 N ATOM 1721 CA ARG A 110 4.196 2.021 16.145 1.00 0.00 C ATOM 1722 C ARG A 110 5.702 1.966 15.936 1.00 0.00 C ATOM 1723 O ARG A 110 6.469 1.806 16.885 1.00 0.00 O ATOM 1724 CB ARG A 110 3.607 0.612 16.046 1.00 0.00 C ATOM 1725 CG ARG A 110 2.282 0.446 16.770 1.00 0.00 C ATOM 1726 CD ARG A 110 1.611 -0.866 16.399 1.00 0.00 C ATOM 1727 NE ARG A 110 0.158 -0.793 16.525 1.00 0.00 N ATOM 1728 CZ ARG A 110 -0.484 -0.762 17.691 1.00 0.00 C ATOM 1729 NH1 ARG A 110 0.195 -0.796 18.832 1.00 0.00 N ATOM 1730 NH2 ARG A 110 -1.808 -0.695 17.717 1.00 0.00 N ATOM 0 H ARG A 110 2.993 2.447 14.476 1.00 0.00 H new ATOM 0 HA ARG A 110 3.994 2.417 17.140 1.00 0.00 H new ATOM 0 HB2 ARG A 110 3.469 0.360 14.995 1.00 0.00 H new ATOM 0 HB3 ARG A 110 4.324 -0.100 16.454 1.00 0.00 H new ATOM 0 HG2 ARG A 110 2.447 0.481 17.847 1.00 0.00 H new ATOM 0 HG3 ARG A 110 1.622 1.277 16.521 1.00 0.00 H new ATOM 0 HD2 ARG A 110 1.873 -1.130 15.374 1.00 0.00 H new ATOM 0 HD3 ARG A 110 1.991 -1.661 17.040 1.00 0.00 H new ATOM 0 HE ARG A 110 -0.397 -0.764 15.670 1.00 0.00 H new ATOM 0 HH11 ARG A 110 1.214 -0.846 18.818 1.00 0.00 H new ATOM 0 HH12 ARG A 110 -0.302 -0.772 19.722 1.00 0.00 H new ATOM 0 HH21 ARG A 110 -2.334 -0.667 16.844 1.00 0.00 H new ATOM 0 HH22 ARG A 110 -2.300 -0.671 18.610 1.00 0.00 H new ATOM 1744 N TYR A 111 6.119 2.098 14.685 1.00 0.00 N ATOM 1745 CA TYR A 111 7.536 2.063 14.344 1.00 0.00 C ATOM 1746 C TYR A 111 8.142 3.461 14.391 1.00 0.00 C ATOM 1747 O TYR A 111 9.332 3.622 14.669 1.00 0.00 O ATOM 1748 CB TYR A 111 7.735 1.443 12.959 1.00 0.00 C ATOM 1749 CG TYR A 111 7.428 -0.037 12.919 1.00 0.00 C ATOM 1750 CD1 TYR A 111 8.346 -0.970 13.380 1.00 0.00 C ATOM 1751 CD2 TYR A 111 6.213 -0.499 12.427 1.00 0.00 C ATOM 1752 CE1 TYR A 111 8.064 -2.323 13.352 1.00 0.00 C ATOM 1753 CE2 TYR A 111 5.923 -1.850 12.397 1.00 0.00 C ATOM 1754 CZ TYR A 111 6.852 -2.756 12.860 1.00 0.00 C ATOM 1755 OH TYR A 111 6.568 -4.103 12.831 1.00 0.00 O ATOM 0 H TYR A 111 5.497 2.230 13.888 1.00 0.00 H new ATOM 0 HA TYR A 111 8.048 1.445 15.082 1.00 0.00 H new ATOM 0 HB2 TYR A 111 7.097 1.959 12.242 1.00 0.00 H new ATOM 0 HB3 TYR A 111 8.765 1.602 12.641 1.00 0.00 H new ATOM 0 HD1 TYR A 111 9.296 -0.634 13.767 1.00 0.00 H new ATOM 0 HD2 TYR A 111 5.484 0.209 12.062 1.00 0.00 H new ATOM 0 HE1 TYR A 111 8.790 -3.037 13.714 1.00 0.00 H new ATOM 0 HE2 TYR A 111 4.974 -2.193 12.013 1.00 0.00 H new ATOM 0 HH TYR A 111 5.772 -4.281 13.374 1.00 0.00 H new ATOM 1765 N LYS A 112 7.321 4.472 14.130 1.00 0.00 N ATOM 1766 CA LYS A 112 7.783 5.854 14.154 1.00 0.00 C ATOM 1767 C LYS A 112 8.163 6.267 15.573 1.00 0.00 C ATOM 1768 O LYS A 112 9.137 6.989 15.781 1.00 0.00 O ATOM 1769 CB LYS A 112 6.699 6.790 13.612 1.00 0.00 C ATOM 1770 CG LYS A 112 6.866 7.120 12.138 1.00 0.00 C ATOM 1771 CD LYS A 112 5.778 6.475 11.295 1.00 0.00 C ATOM 1772 CE LYS A 112 4.496 7.292 11.322 1.00 0.00 C ATOM 1773 NZ LYS A 112 4.401 8.214 10.156 1.00 0.00 N ATOM 0 H LYS A 112 6.334 4.360 13.900 1.00 0.00 H new ATOM 0 HA LYS A 112 8.665 5.929 13.518 1.00 0.00 H new ATOM 0 HB2 LYS A 112 5.723 6.330 13.765 1.00 0.00 H new ATOM 0 HB3 LYS A 112 6.709 7.716 14.187 1.00 0.00 H new ATOM 0 HG2 LYS A 112 6.841 8.201 12.001 1.00 0.00 H new ATOM 0 HG3 LYS A 112 7.843 6.778 11.796 1.00 0.00 H new ATOM 0 HD2 LYS A 112 6.125 6.374 10.267 1.00 0.00 H new ATOM 0 HD3 LYS A 112 5.578 5.469 11.664 1.00 0.00 H new ATOM 0 HE2 LYS A 112 3.637 6.620 11.325 1.00 0.00 H new ATOM 0 HE3 LYS A 112 4.452 7.869 12.246 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 3.513 8.753 10.211 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 5.207 8.872 10.167 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 4.417 7.662 9.275 1.00 0.00 H new ATOM 1787 N ASP A 113 7.384 5.800 16.543 1.00 0.00 N ATOM 1788 CA ASP A 113 7.633 6.114 17.945 1.00 0.00 C ATOM 1789 C ASP A 113 8.988 5.576 18.391 1.00 0.00 C ATOM 1790 O ASP A 113 9.696 6.215 19.169 1.00 0.00 O ATOM 1791 CB ASP A 113 6.524 5.532 18.823 1.00 0.00 C ATOM 1792 CG ASP A 113 5.212 6.275 18.669 1.00 0.00 C ATOM 1793 OD1 ASP A 113 5.218 7.378 18.083 1.00 0.00 O ATOM 1794 OD2 ASP A 113 4.176 5.754 19.134 1.00 0.00 O ATOM 0 H ASP A 113 6.574 5.202 16.383 1.00 0.00 H new ATOM 0 HA ASP A 113 7.641 7.199 18.054 1.00 0.00 H new ATOM 0 HB2 ASP A 113 6.376 4.483 18.568 1.00 0.00 H new ATOM 0 HB3 ASP A 113 6.836 5.565 19.867 1.00 0.00 H new ATOM 1799 N ALA A 114 9.344 4.398 17.892 1.00 0.00 N ATOM 1800 CA ALA A 114 10.615 3.773 18.238 1.00 0.00 C ATOM 1801 C ALA A 114 11.790 4.612 17.748 1.00 0.00 C ATOM 1802 O ALA A 114 12.843 4.653 18.385 1.00 0.00 O ATOM 1803 CB ALA A 114 10.686 2.370 17.657 1.00 0.00 C ATOM 0 H ALA A 114 8.770 3.856 17.246 1.00 0.00 H new ATOM 0 HA ALA A 114 10.678 3.708 19.324 1.00 0.00 H new ATOM 0 HB1 ALA A 114 11.640 1.914 17.922 1.00 0.00 H new ATOM 0 HB2 ALA A 114 9.872 1.768 18.060 1.00 0.00 H new ATOM 0 HB3 ALA A 114 10.598 2.421 16.572 1.00 0.00 H new ATOM 1809 N ASP A 115 11.603 5.277 16.613 1.00 0.00 N ATOM 1810 CA ASP A 115 12.650 6.116 16.038 1.00 0.00 C ATOM 1811 C ASP A 115 12.323 7.594 16.221 1.00 0.00 C ATOM 1812 O ASP A 115 12.922 8.424 15.504 1.00 0.00 O ATOM 1813 CB ASP A 115 12.825 5.800 14.551 1.00 0.00 C ATOM 1814 CG ASP A 115 13.342 4.394 14.315 1.00 0.00 C ATOM 1815 OD1 ASP A 115 13.860 3.783 15.273 1.00 0.00 O ATOM 1816 OD2 ASP A 115 13.230 3.906 13.171 1.00 0.00 O ATOM 1817 OXT ASP A 115 11.472 7.911 17.079 1.00 0.00 O ATOM 0 H ASP A 115 10.738 5.252 16.073 1.00 0.00 H new ATOM 0 HA ASP A 115 13.582 5.901 16.560 1.00 0.00 H new ATOM 0 HB2 ASP A 115 11.869 5.923 14.041 1.00 0.00 H new ATOM 0 HB3 ASP A 115 13.517 6.517 14.109 1.00 0.00 H new TER 1822 ASP A 115 ATOM 1823 N LEU B 45 -2.691 2.893 -18.996 1.00 0.00 N ATOM 1824 CA LEU B 45 -2.252 4.038 -18.158 1.00 0.00 C ATOM 1825 C LEU B 45 -0.961 3.714 -17.412 1.00 0.00 C ATOM 1826 O LEU B 45 -0.377 2.647 -17.597 1.00 0.00 O ATOM 1827 CB LEU B 45 -3.367 4.372 -17.165 1.00 0.00 C ATOM 1828 CG LEU B 45 -4.681 4.833 -17.796 1.00 0.00 C ATOM 1829 CD1 LEU B 45 -5.686 5.214 -16.721 1.00 0.00 C ATOM 1830 CD2 LEU B 45 -4.435 6.003 -18.738 1.00 0.00 C ATOM 0 HA LEU B 45 -2.052 4.895 -18.801 1.00 0.00 H new ATOM 0 HB2 LEU B 45 -3.565 3.491 -16.555 1.00 0.00 H new ATOM 0 HB3 LEU B 45 -3.011 5.153 -16.492 1.00 0.00 H new ATOM 0 HG LEU B 45 -5.096 4.006 -18.373 1.00 0.00 H new ATOM 0 HD11 LEU B 45 -6.615 5.539 -17.190 1.00 0.00 H new ATOM 0 HD12 LEU B 45 -5.884 4.351 -16.085 1.00 0.00 H new ATOM 0 HD13 LEU B 45 -5.281 6.025 -16.116 1.00 0.00 H new ATOM 0 HD21 LEU B 45 -5.380 6.320 -19.179 1.00 0.00 H new ATOM 0 HD22 LEU B 45 -3.998 6.832 -18.182 1.00 0.00 H new ATOM 0 HD23 LEU B 45 -3.750 5.696 -19.529 1.00 0.00 H new ATOM 1842 N SER B 46 -0.523 4.642 -16.568 1.00 0.00 N ATOM 1843 CA SER B 46 0.697 4.456 -15.793 1.00 0.00 C ATOM 1844 C SER B 46 0.432 4.663 -14.304 1.00 0.00 C ATOM 1845 O SER B 46 -0.534 5.321 -13.923 1.00 0.00 O ATOM 1846 CB SER B 46 1.781 5.425 -16.269 1.00 0.00 C ATOM 1847 OG SER B 46 3.056 4.809 -16.266 1.00 0.00 O ATOM 0 H SER B 46 -0.995 5.531 -16.404 1.00 0.00 H new ATOM 0 HA SER B 46 1.042 3.433 -15.944 1.00 0.00 H new ATOM 0 HB2 SER B 46 1.545 5.773 -17.274 1.00 0.00 H new ATOM 0 HB3 SER B 46 1.797 6.303 -15.623 1.00 0.00 H new ATOM 0 HG SER B 46 3.730 5.450 -16.576 1.00 0.00 H new ATOM 1853 N PRO B 47 1.291 4.098 -13.438 1.00 0.00 N ATOM 1854 CA PRO B 47 1.144 4.223 -11.985 1.00 0.00 C ATOM 1855 C PRO B 47 0.976 5.672 -11.541 1.00 0.00 C ATOM 1856 O PRO B 47 0.176 5.972 -10.654 1.00 0.00 O ATOM 1857 CB PRO B 47 2.455 3.656 -11.446 1.00 0.00 C ATOM 1858 CG PRO B 47 2.916 2.706 -12.496 1.00 0.00 C ATOM 1859 CD PRO B 47 2.472 3.293 -13.807 1.00 0.00 C ATOM 0 HA PRO B 47 0.256 3.706 -11.622 1.00 0.00 H new ATOM 0 HB2 PRO B 47 3.188 4.445 -11.277 1.00 0.00 H new ATOM 0 HB3 PRO B 47 2.305 3.150 -10.492 1.00 0.00 H new ATOM 0 HG2 PRO B 47 3.999 2.588 -12.468 1.00 0.00 H new ATOM 0 HG3 PRO B 47 2.484 1.717 -12.345 1.00 0.00 H new ATOM 0 HD2 PRO B 47 3.252 3.907 -14.257 1.00 0.00 H new ATOM 0 HD3 PRO B 47 2.220 2.517 -14.530 1.00 0.00 H new ATOM 1867 N ASP B 48 1.736 6.567 -12.163 1.00 0.00 N ATOM 1868 CA ASP B 48 1.673 7.986 -11.833 1.00 0.00 C ATOM 1869 C ASP B 48 0.264 8.531 -12.036 1.00 0.00 C ATOM 1870 O ASP B 48 -0.141 9.492 -11.382 1.00 0.00 O ATOM 1871 CB ASP B 48 2.666 8.774 -12.690 1.00 0.00 C ATOM 1872 CG ASP B 48 4.109 8.436 -12.364 1.00 0.00 C ATOM 1873 OD1 ASP B 48 4.351 7.836 -11.296 1.00 0.00 O ATOM 1874 OD2 ASP B 48 4.994 8.772 -13.176 1.00 0.00 O ATOM 0 H ASP B 48 2.403 6.335 -12.899 1.00 0.00 H new ATOM 0 HA ASP B 48 1.938 8.101 -10.782 1.00 0.00 H new ATOM 0 HB2 ASP B 48 2.477 8.567 -13.743 1.00 0.00 H new ATOM 0 HB3 ASP B 48 2.503 9.841 -12.541 1.00 0.00 H new ATOM 1879 N ASP B 49 -0.479 7.913 -12.948 1.00 0.00 N ATOM 1880 CA ASP B 49 -1.843 8.338 -13.237 1.00 0.00 C ATOM 1881 C ASP B 49 -2.743 8.138 -12.023 1.00 0.00 C ATOM 1882 O ASP B 49 -3.560 8.999 -11.695 1.00 0.00 O ATOM 1883 CB ASP B 49 -2.401 7.565 -14.432 1.00 0.00 C ATOM 1884 CG ASP B 49 -1.599 7.797 -15.699 1.00 0.00 C ATOM 1885 OD1 ASP B 49 -0.834 8.783 -15.744 1.00 0.00 O ATOM 1886 OD2 ASP B 49 -1.736 6.992 -16.643 1.00 0.00 O ATOM 0 H ASP B 49 -0.159 7.117 -13.499 1.00 0.00 H new ATOM 0 HA ASP B 49 -1.821 9.400 -13.481 1.00 0.00 H new ATOM 0 HB2 ASP B 49 -2.409 6.500 -14.200 1.00 0.00 H new ATOM 0 HB3 ASP B 49 -3.436 7.862 -14.601 1.00 0.00 H new ATOM 1891 N ILE B 50 -2.590 6.997 -11.362 1.00 0.00 N ATOM 1892 CA ILE B 50 -3.389 6.681 -10.185 1.00 0.00 C ATOM 1893 C ILE B 50 -3.057 7.612 -9.023 1.00 0.00 C ATOM 1894 O ILE B 50 -3.873 7.814 -8.123 1.00 0.00 O ATOM 1895 CB ILE B 50 -3.182 5.222 -9.738 1.00 0.00 C ATOM 1896 CG1 ILE B 50 -3.374 4.272 -10.921 1.00 0.00 C ATOM 1897 CG2 ILE B 50 -4.140 4.870 -8.610 1.00 0.00 C ATOM 1898 CD1 ILE B 50 -4.730 4.392 -11.580 1.00 0.00 C ATOM 0 H ILE B 50 -1.919 6.274 -11.622 1.00 0.00 H new ATOM 0 HA ILE B 50 -4.432 6.820 -10.468 1.00 0.00 H new ATOM 0 HB ILE B 50 -2.162 5.113 -9.369 1.00 0.00 H new ATOM 0 HG12 ILE B 50 -2.600 4.468 -11.663 1.00 0.00 H new ATOM 0 HG13 ILE B 50 -3.235 3.246 -10.579 1.00 0.00 H new ATOM 0 HG21 ILE B 50 -3.980 3.835 -8.306 1.00 0.00 H new ATOM 0 HG22 ILE B 50 -3.960 5.529 -7.761 1.00 0.00 H new ATOM 0 HG23 ILE B 50 -5.167 4.993 -8.953 1.00 0.00 H new ATOM 0 HD11 ILE B 50 -4.795 3.689 -12.410 1.00 0.00 H new ATOM 0 HD12 ILE B 50 -5.509 4.167 -10.852 1.00 0.00 H new ATOM 0 HD13 ILE B 50 -4.865 5.407 -11.953 1.00 0.00 H new ATOM 1910 N GLU B 51 -1.856 8.174 -9.050 1.00 0.00 N ATOM 1911 CA GLU B 51 -1.414 9.083 -7.999 1.00 0.00 C ATOM 1912 C GLU B 51 -2.278 10.341 -7.969 1.00 0.00 C ATOM 1913 O GLU B 51 -2.540 10.900 -6.905 1.00 0.00 O ATOM 1914 CB GLU B 51 0.053 9.465 -8.207 1.00 0.00 C ATOM 1915 CG GLU B 51 1.010 8.291 -8.077 1.00 0.00 C ATOM 1916 CD GLU B 51 0.962 7.648 -6.704 1.00 0.00 C ATOM 1917 OE1 GLU B 51 0.460 8.297 -5.763 1.00 0.00 O ATOM 1918 OE2 GLU B 51 1.427 6.497 -6.572 1.00 0.00 O ATOM 0 H GLU B 51 -1.170 8.017 -9.788 1.00 0.00 H new ATOM 0 HA GLU B 51 -1.516 8.569 -7.043 1.00 0.00 H new ATOM 0 HB2 GLU B 51 0.168 9.909 -9.196 1.00 0.00 H new ATOM 0 HB3 GLU B 51 0.328 10.230 -7.480 1.00 0.00 H new ATOM 0 HG2 GLU B 51 0.767 7.544 -8.833 1.00 0.00 H new ATOM 0 HG3 GLU B 51 2.026 8.631 -8.280 1.00 0.00 H new ATOM 1925 N GLN B 52 -2.717 10.778 -9.146 1.00 0.00 N ATOM 1926 CA GLN B 52 -3.552 11.969 -9.256 1.00 0.00 C ATOM 1927 C GLN B 52 -4.940 11.720 -8.674 1.00 0.00 C ATOM 1928 O GLN B 52 -5.581 12.638 -8.159 1.00 0.00 O ATOM 1929 CB GLN B 52 -3.665 12.405 -10.718 1.00 0.00 C ATOM 1930 CG GLN B 52 -3.041 13.763 -10.994 1.00 0.00 C ATOM 1931 CD GLN B 52 -3.323 14.260 -12.398 1.00 0.00 C ATOM 1932 OE1 GLN B 52 -3.681 15.420 -12.598 1.00 0.00 O ATOM 1933 NE2 GLN B 52 -3.165 13.380 -13.381 1.00 0.00 N ATOM 0 H GLN B 52 -2.508 10.325 -10.036 1.00 0.00 H new ATOM 0 HA GLN B 52 -3.080 12.767 -8.683 1.00 0.00 H new ATOM 0 HB2 GLN B 52 -3.185 11.658 -11.350 1.00 0.00 H new ATOM 0 HB3 GLN B 52 -4.717 12.433 -11.001 1.00 0.00 H new ATOM 0 HG2 GLN B 52 -3.421 14.487 -10.273 1.00 0.00 H new ATOM 0 HG3 GLN B 52 -1.963 13.701 -10.844 1.00 0.00 H new ATOM 0 HE21 GLN B 52 -2.866 12.428 -13.170 1.00 0.00 H new ATOM 0 HE22 GLN B 52 -3.342 13.657 -14.347 1.00 0.00 H new ATOM 1942 N TRP B 53 -5.399 10.476 -8.756 1.00 0.00 N ATOM 1943 CA TRP B 53 -6.712 10.109 -8.234 1.00 0.00 C ATOM 1944 C TRP B 53 -6.832 10.480 -6.760 1.00 0.00 C ATOM 1945 O TRP B 53 -7.915 10.816 -6.279 1.00 0.00 O ATOM 1946 CB TRP B 53 -6.958 8.611 -8.418 1.00 0.00 C ATOM 1947 CG TRP B 53 -7.213 8.220 -9.842 1.00 0.00 C ATOM 1948 CD1 TRP B 53 -6.497 8.604 -10.939 1.00 0.00 C ATOM 1949 CD2 TRP B 53 -8.257 7.367 -10.322 1.00 0.00 C ATOM 1950 NE1 TRP B 53 -7.033 8.041 -12.072 1.00 0.00 N ATOM 1951 CE2 TRP B 53 -8.113 7.276 -11.719 1.00 0.00 C ATOM 1952 CE3 TRP B 53 -9.299 6.669 -9.706 1.00 0.00 C ATOM 1953 CZ2 TRP B 53 -8.974 6.518 -12.508 1.00 0.00 C ATOM 1954 CZ3 TRP B 53 -10.151 5.914 -10.491 1.00 0.00 C ATOM 1955 CH2 TRP B 53 -9.983 5.844 -11.879 1.00 0.00 C ATOM 0 H TRP B 53 -4.882 9.705 -9.178 1.00 0.00 H new ATOM 0 HA TRP B 53 -7.466 10.663 -8.793 1.00 0.00 H new ATOM 0 HB2 TRP B 53 -6.094 8.060 -8.047 1.00 0.00 H new ATOM 0 HB3 TRP B 53 -7.811 8.313 -7.809 1.00 0.00 H new ATOM 0 HD1 TRP B 53 -5.635 9.255 -10.919 1.00 0.00 H new ATOM 0 HE1 TRP B 53 -6.684 8.171 -13.021 1.00 0.00 H new ATOM 0 HE3 TRP B 53 -9.436 6.718 -8.636 1.00 0.00 H new ATOM 0 HZ2 TRP B 53 -8.849 6.464 -13.579 1.00 0.00 H new ATOM 0 HZ3 TRP B 53 -10.959 5.369 -10.026 1.00 0.00 H new ATOM 0 HH2 TRP B 53 -10.665 5.245 -12.465 1.00 0.00 H new ATOM 1966 N PHE B 54 -5.711 10.420 -6.050 1.00 0.00 N ATOM 1967 CA PHE B 54 -5.685 10.751 -4.630 1.00 0.00 C ATOM 1968 C PHE B 54 -5.423 12.239 -4.421 1.00 0.00 C ATOM 1969 O PHE B 54 -5.807 12.808 -3.399 1.00 0.00 O ATOM 1970 CB PHE B 54 -4.615 9.927 -3.913 1.00 0.00 C ATOM 1971 CG PHE B 54 -4.923 8.458 -3.862 1.00 0.00 C ATOM 1972 CD1 PHE B 54 -4.602 7.632 -4.927 1.00 0.00 C ATOM 1973 CD2 PHE B 54 -5.533 7.903 -2.748 1.00 0.00 C ATOM 1974 CE1 PHE B 54 -4.885 6.280 -4.883 1.00 0.00 C ATOM 1975 CE2 PHE B 54 -5.818 6.551 -2.699 1.00 0.00 C ATOM 1976 CZ PHE B 54 -5.494 5.739 -3.768 1.00 0.00 C ATOM 0 H PHE B 54 -4.807 10.145 -6.435 1.00 0.00 H new ATOM 0 HA PHE B 54 -6.662 10.511 -4.209 1.00 0.00 H new ATOM 0 HB2 PHE B 54 -3.659 10.072 -4.416 1.00 0.00 H new ATOM 0 HB3 PHE B 54 -4.501 10.302 -2.896 1.00 0.00 H new ATOM 0 HD1 PHE B 54 -4.125 8.049 -5.802 1.00 0.00 H new ATOM 0 HD2 PHE B 54 -5.788 8.533 -1.909 1.00 0.00 H new ATOM 0 HE1 PHE B 54 -4.630 5.647 -5.720 1.00 0.00 H new ATOM 0 HE2 PHE B 54 -6.294 6.130 -1.825 1.00 0.00 H new ATOM 0 HZ PHE B 54 -5.717 4.683 -3.732 1.00 0.00 H new ATOM 1986 N THR B 55 -4.770 12.868 -5.394 1.00 0.00 N ATOM 1987 CA THR B 55 -4.461 14.288 -5.314 1.00 0.00 C ATOM 1988 C THR B 55 -5.708 15.131 -5.579 1.00 0.00 C ATOM 1989 O THR B 55 -5.871 16.210 -5.010 1.00 0.00 O ATOM 1990 CB THR B 55 -3.342 14.632 -6.300 1.00 0.00 C ATOM 1991 OG1 THR B 55 -2.104 14.761 -5.625 1.00 0.00 O ATOM 1992 CG2 THR B 55 -3.573 15.911 -7.075 1.00 0.00 C ATOM 0 H THR B 55 -4.445 12.414 -6.248 1.00 0.00 H new ATOM 0 HA THR B 55 -4.118 14.518 -4.305 1.00 0.00 H new ATOM 0 HB THR B 55 -3.331 13.804 -7.009 1.00 0.00 H new ATOM 0 HG1 THR B 55 -1.400 14.979 -6.271 1.00 0.00 H new ATOM 0 HG21 THR B 55 -2.735 16.083 -7.751 1.00 0.00 H new ATOM 0 HG22 THR B 55 -4.494 15.825 -7.652 1.00 0.00 H new ATOM 0 HG23 THR B 55 -3.657 16.747 -6.381 1.00 0.00 H new ATOM 2000 N GLU B 56 -6.582 14.627 -6.444 1.00 0.00 N ATOM 2001 CA GLU B 56 -7.812 15.332 -6.782 1.00 0.00 C ATOM 2002 C GLU B 56 -8.828 15.229 -5.649 1.00 0.00 C ATOM 2003 O GLU B 56 -9.015 14.161 -5.066 1.00 0.00 O ATOM 2004 CB GLU B 56 -8.411 14.768 -8.073 1.00 0.00 C ATOM 2005 CG GLU B 56 -7.513 14.941 -9.287 1.00 0.00 C ATOM 2006 CD GLU B 56 -8.152 14.434 -10.565 1.00 0.00 C ATOM 2007 OE1 GLU B 56 -9.185 13.737 -10.477 1.00 0.00 O ATOM 2008 OE2 GLU B 56 -7.619 14.732 -11.654 1.00 0.00 O ATOM 0 H GLU B 56 -6.461 13.734 -6.923 1.00 0.00 H new ATOM 0 HA GLU B 56 -7.568 16.384 -6.932 1.00 0.00 H new ATOM 0 HB2 GLU B 56 -8.619 13.707 -7.934 1.00 0.00 H new ATOM 0 HB3 GLU B 56 -9.366 15.258 -8.265 1.00 0.00 H new ATOM 0 HG2 GLU B 56 -7.266 15.996 -9.403 1.00 0.00 H new ATOM 0 HG3 GLU B 56 -6.576 14.410 -9.119 1.00 0.00 H new ATOM 2015 N ASP B 57 -9.482 16.345 -5.343 1.00 0.00 N ATOM 2016 CA ASP B 57 -10.479 16.379 -4.280 1.00 0.00 C ATOM 2017 C ASP B 57 -11.585 17.382 -4.601 1.00 0.00 C ATOM 2018 O ASP B 57 -11.408 18.262 -5.442 1.00 0.00 O ATOM 2019 CB ASP B 57 -9.822 16.738 -2.947 1.00 0.00 C ATOM 2020 CG ASP B 57 -9.039 15.580 -2.358 1.00 0.00 C ATOM 2021 OD1 ASP B 57 -9.661 14.704 -1.724 1.00 0.00 O ATOM 2022 OD2 ASP B 57 -7.801 15.551 -2.532 1.00 0.00 O ATOM 0 H ASP B 57 -9.339 17.237 -5.816 1.00 0.00 H new ATOM 0 HA ASP B 57 -10.924 15.387 -4.203 1.00 0.00 H new ATOM 0 HB2 ASP B 57 -9.155 17.588 -3.091 1.00 0.00 H new ATOM 0 HB3 ASP B 57 -10.590 17.051 -2.239 1.00 0.00 H new ATOM 2027 N PRO B 58 -12.743 17.260 -3.931 1.00 0.00 N ATOM 2028 CA PRO B 58 -13.880 18.160 -4.150 1.00 0.00 C ATOM 2029 C PRO B 58 -13.485 19.630 -4.034 1.00 0.00 C ATOM 2030 O PRO B 58 -13.000 20.026 -2.955 1.00 0.00 O ATOM 2031 CB PRO B 58 -14.857 17.781 -3.035 1.00 0.00 C ATOM 2032 CG PRO B 58 -14.520 16.368 -2.700 1.00 0.00 C ATOM 2033 CD PRO B 58 -13.036 16.236 -2.910 1.00 0.00 C ATOM 0 HA PRO B 58 -14.295 18.053 -5.152 1.00 0.00 H new ATOM 0 HB2 PRO B 58 -14.741 18.432 -2.168 1.00 0.00 H new ATOM 0 HB3 PRO B 58 -15.891 17.873 -3.366 1.00 0.00 H new ATOM 0 HG2 PRO B 58 -14.791 16.136 -1.670 1.00 0.00 H new ATOM 0 HG3 PRO B 58 -15.068 15.674 -3.338 1.00 0.00 H new ATOM 0 HD2 PRO B 58 -12.482 16.417 -1.989 1.00 0.00 H new ATOM 0 HD3 PRO B 58 -12.766 15.237 -3.253 1.00 0.00 H new TER 2041 PRO B 58