USER MOD reduce.3.24.130724 H: found=0, std=0, add=1071, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 1072 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: B 677 SER OG : rot -106:sc= -0.079 USER MOD Set 1.2: B 678 GLN : amide:sc= 1.04 K(o=0.96,f=-3.8) USER MOD Set 2.1: A 51 THR OG1 : rot 137:sc= 0.162 USER MOD Set 2.2: A 97 MET CE :methyl 180:sc= -1.46 (180deg=-0.757) USER MOD Set 3.1: A 13 SER OG : rot 17:sc= 1.03 USER MOD Set 3.2: A 32 THR OG1 : rot 118:sc= -0.477 USER MOD Set 4.1: A 2 SER OG : rot 180:sc= -0.0239 USER MOD Set 4.2: A 3 HIS : no HD1:sc= 0 X(o=-0.024,f=-0.024) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 ASN : amide:sc= -1.43 K(o=-1.4,f=-0.34) USER MOD Single : A 23 SER OG : rot 50:sc= 0.168 USER MOD Single : A 28 THR OG1 : rot 180:sc= -0.905 USER MOD Single : A 31 SER OG : rot 180:sc= -0.079 USER MOD Single : A 36 LYS NZ :NH3+ 154:sc= -0.353 (180deg=-1.18!) USER MOD Single : A 38 HIS : no HD1:sc= -0.534 K(o=-0.53,f=-2.4!) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot 160:sc= 0 USER MOD Single : A 44 THR OG1 : rot -27:sc=-0.00557 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -2.25 K(o=-2.2,f=-5.9!) USER MOD Single : A 54 SER OG : rot 180:sc= 0.083 USER MOD Single : A 55 SER OG : rot -50:sc= -1.01 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 MET CE :methyl -164:sc= -1.82 (180deg=-2.41) USER MOD Single : A 59 MET CE :methyl 161:sc= -0.985 (180deg=-2.88!) 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+ 176:sc= -0.354 (180deg=-0.377) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 ASN : amide:sc= -0.0455 K(o=-0.046,f=0.72) USER MOD Single : A 78 ASN : amide:sc= -1.76 K(o=-1.8,f=-5.9!) USER MOD Single : A 83 LYS NZ :NH3+ -151:sc= -0.266 (180deg=-0.9) USER MOD Single : A 85 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 87 HIS : no HD1:sc= -7.45! C(o=-7.4!,f=-6.4!) USER MOD Single : A 88 MET CE :methyl 168:sc= -7.62! (180deg=-8.49!) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 92 ASN : amide:sc= -0.0533 X(o=-0.053,f=0) USER MOD Single : A 93 ASN : amide:sc= -0.392 K(o=-0.39,f=-2.7!) USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 99 ASN : amide:sc= -1.17 K(o=-1.2,f=-0.49) USER MOD Single : A 101 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.00743) USER MOD Single : A 102 MET CE :methyl -144:sc= -2.77 (180deg=-4.79!) USER MOD Single : A 103 THR OG1 : rot -136:sc= -1.14! USER MOD Single : A 105 GLN : amide:sc= -5.64! K(o=-5.6!,f=-2.8) USER MOD Single : A 106 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 109 SER OG : rot -82:sc= 1.05 USER MOD Single : A 111 TYR OH : rot 111:sc= -3.02 USER MOD Single : A 112 LYS NZ :NH3+ -147:sc= -1.8 (180deg=-4.69!) USER MOD Single : B 666 SER OG : rot 180:sc= 0 USER MOD Single : B 675 THR OG1 : rot 180:sc= 0 USER MOD Single : B 676 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 680 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 1 -6.718 -17.478 -6.364 1.00 0.00 N ATOM 2 CA PRO A 1 -6.604 -16.010 -6.584 1.00 0.00 C ATOM 3 C PRO A 1 -5.675 -15.357 -5.562 1.00 0.00 C ATOM 4 O PRO A 1 -6.117 -14.911 -4.503 1.00 0.00 O ATOM 5 CB PRO A 1 -8.007 -15.419 -6.482 1.00 0.00 C ATOM 6 CG PRO A 1 -8.901 -16.607 -6.359 1.00 0.00 C ATOM 7 CD PRO A 1 -8.054 -17.722 -5.796 1.00 0.00 C ATOM 0 H2 PRO A 1 -5.990 -17.806 -5.729 1.00 0.00 H new ATOM 0 H3 PRO A 1 -6.600 -17.985 -7.241 1.00 0.00 H new ATOM 0 HA PRO A 1 -6.173 -15.820 -7.567 1.00 0.00 H new ATOM 0 HB2 PRO A 1 -8.099 -14.761 -5.618 1.00 0.00 H new ATOM 0 HB3 PRO A 1 -8.253 -14.826 -7.362 1.00 0.00 H new ATOM 0 HG2 PRO A 1 -9.745 -16.392 -5.704 1.00 0.00 H new ATOM 0 HG3 PRO A 1 -9.313 -16.885 -7.329 1.00 0.00 H new ATOM 0 HD2 PRO A 1 -8.035 -17.697 -4.706 1.00 0.00 H new ATOM 0 HD3 PRO A 1 -8.438 -18.700 -6.086 1.00 0.00 H new ATOM 17 N SER A 2 -4.388 -15.304 -5.889 1.00 0.00 N ATOM 18 CA SER A 2 -3.399 -14.705 -5.001 1.00 0.00 C ATOM 19 C SER A 2 -2.945 -13.347 -5.529 1.00 0.00 C ATOM 20 O SER A 2 -2.723 -12.412 -4.760 1.00 0.00 O ATOM 21 CB SER A 2 -2.195 -15.637 -4.847 1.00 0.00 C ATOM 22 OG SER A 2 -1.340 -15.559 -5.975 1.00 0.00 O ATOM 0 H SER A 2 -4.006 -15.668 -6.762 1.00 0.00 H new ATOM 0 HA SER A 2 -3.862 -14.557 -4.026 1.00 0.00 H new ATOM 0 HB2 SER A 2 -1.640 -15.373 -3.947 1.00 0.00 H new ATOM 0 HB3 SER A 2 -2.540 -16.663 -4.719 1.00 0.00 H new ATOM 0 HG SER A 2 -0.578 -16.163 -5.851 1.00 0.00 H new ATOM 28 N HIS A 3 -2.818 -13.245 -6.848 1.00 0.00 N ATOM 29 CA HIS A 3 -2.398 -12.002 -7.488 1.00 0.00 C ATOM 30 C HIS A 3 -3.606 -11.141 -7.859 1.00 0.00 C ATOM 31 O HIS A 3 -3.537 -10.328 -8.780 1.00 0.00 O ATOM 32 CB HIS A 3 -1.578 -12.308 -8.743 1.00 0.00 C ATOM 33 CG HIS A 3 -0.547 -13.375 -8.541 1.00 0.00 C ATOM 34 ND1 HIS A 3 -0.662 -14.643 -9.071 1.00 0.00 N ATOM 35 CD2 HIS A 3 0.624 -13.358 -7.861 1.00 0.00 C ATOM 36 CE1 HIS A 3 0.393 -15.360 -8.725 1.00 0.00 C ATOM 37 NE2 HIS A 3 1.188 -14.603 -7.992 1.00 0.00 N ATOM 0 H HIS A 3 -3.000 -14.010 -7.497 1.00 0.00 H new ATOM 0 HA HIS A 3 -1.783 -11.448 -6.779 1.00 0.00 H new ATOM 0 HB2 HIS A 3 -2.253 -12.614 -9.542 1.00 0.00 H new ATOM 0 HB3 HIS A 3 -1.084 -11.395 -9.075 1.00 0.00 H new ATOM 0 HD2 HIS A 3 1.037 -12.521 -7.317 1.00 0.00 H new ATOM 0 HE1 HIS A 3 0.574 -16.390 -8.996 1.00 0.00 H new ATOM 0 HE2 HIS A 3 2.078 -14.896 -7.588 1.00 0.00 H new ATOM 46 N SER A 4 -4.713 -11.318 -7.137 1.00 0.00 N ATOM 47 CA SER A 4 -5.924 -10.546 -7.398 1.00 0.00 C ATOM 48 C SER A 4 -6.835 -10.519 -6.176 1.00 0.00 C ATOM 49 O SER A 4 -7.086 -11.545 -5.544 1.00 0.00 O ATOM 50 CB SER A 4 -6.681 -11.104 -8.604 1.00 0.00 C ATOM 51 OG SER A 4 -6.864 -12.504 -8.492 1.00 0.00 O ATOM 0 H SER A 4 -4.794 -11.986 -6.371 1.00 0.00 H new ATOM 0 HA SER A 4 -5.617 -9.524 -7.622 1.00 0.00 H new ATOM 0 HB2 SER A 4 -7.651 -10.613 -8.686 1.00 0.00 H new ATOM 0 HB3 SER A 4 -6.131 -10.879 -9.518 1.00 0.00 H new ATOM 0 HG SER A 4 -7.352 -12.834 -9.275 1.00 0.00 H new ATOM 57 N GLY A 5 -7.322 -9.327 -5.855 1.00 0.00 N ATOM 58 CA GLY A 5 -8.201 -9.143 -4.719 1.00 0.00 C ATOM 59 C GLY A 5 -8.792 -7.754 -4.719 1.00 0.00 C ATOM 60 O GLY A 5 -8.102 -6.789 -5.033 1.00 0.00 O ATOM 0 H GLY A 5 -7.118 -8.472 -6.372 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -9.000 -9.883 -4.748 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -7.648 -9.308 -3.795 1.00 0.00 H new ATOM 64 N ALA A 6 -10.070 -7.646 -4.398 1.00 0.00 N ATOM 65 CA ALA A 6 -10.738 -6.354 -4.403 1.00 0.00 C ATOM 66 C ALA A 6 -10.451 -5.546 -3.140 1.00 0.00 C ATOM 67 O ALA A 6 -10.355 -6.094 -2.042 1.00 0.00 O ATOM 68 CB ALA A 6 -12.226 -6.545 -4.613 1.00 0.00 C ATOM 0 H ALA A 6 -10.664 -8.432 -4.132 1.00 0.00 H new ATOM 0 HA ALA A 6 -10.336 -5.772 -5.233 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -12.721 -5.574 -4.616 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -12.398 -7.042 -5.568 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -12.632 -7.156 -3.807 1.00 0.00 H new ATOM 74 N ALA A 7 -10.303 -4.233 -3.320 1.00 0.00 N ATOM 75 CA ALA A 7 -10.011 -3.326 -2.214 1.00 0.00 C ATOM 76 C ALA A 7 -10.490 -1.906 -2.518 1.00 0.00 C ATOM 77 O ALA A 7 -10.899 -1.605 -3.639 1.00 0.00 O ATOM 78 CB ALA A 7 -8.522 -3.330 -1.917 1.00 0.00 C ATOM 0 H ALA A 7 -10.381 -3.774 -4.227 1.00 0.00 H new ATOM 0 HA ALA A 7 -10.551 -3.678 -1.335 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -8.314 -2.650 -1.091 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -8.208 -4.338 -1.646 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -7.974 -3.005 -2.801 1.00 0.00 H new ATOM 84 N ILE A 8 -10.439 -1.038 -1.508 1.00 0.00 N ATOM 85 CA ILE A 8 -10.872 0.350 -1.665 1.00 0.00 C ATOM 86 C ILE A 8 -9.685 1.281 -1.888 1.00 0.00 C ATOM 87 O ILE A 8 -8.737 1.287 -1.105 1.00 0.00 O ATOM 88 CB ILE A 8 -11.654 0.850 -0.423 1.00 0.00 C ATOM 89 CG1 ILE A 8 -12.880 -0.032 -0.111 1.00 0.00 C ATOM 90 CG2 ILE A 8 -12.086 2.301 -0.613 1.00 0.00 C ATOM 91 CD1 ILE A 8 -13.180 -1.105 -1.139 1.00 0.00 C ATOM 0 H ILE A 8 -10.103 -1.271 -0.574 1.00 0.00 H new ATOM 0 HA ILE A 8 -11.525 0.368 -2.538 1.00 0.00 H new ATOM 0 HB ILE A 8 -10.978 0.783 0.429 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -12.727 -0.510 0.856 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -13.755 0.611 -0.014 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -12.634 2.636 0.268 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -11.205 2.928 -0.753 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -12.728 2.377 -1.490 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -14.059 -1.670 -0.829 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -13.371 -0.639 -2.106 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -12.327 -1.778 -1.222 1.00 0.00 H new ATOM 103 N PHE A 9 -9.748 2.082 -2.948 1.00 0.00 N ATOM 104 CA PHE A 9 -8.678 3.027 -3.248 1.00 0.00 C ATOM 105 C PHE A 9 -9.216 4.443 -3.431 1.00 0.00 C ATOM 106 O PHE A 9 -9.837 4.759 -4.446 1.00 0.00 O ATOM 107 CB PHE A 9 -7.913 2.603 -4.503 1.00 0.00 C ATOM 108 CG PHE A 9 -6.527 3.188 -4.596 1.00 0.00 C ATOM 109 CD1 PHE A 9 -6.148 4.262 -3.800 1.00 0.00 C ATOM 110 CD2 PHE A 9 -5.601 2.661 -5.482 1.00 0.00 C ATOM 111 CE1 PHE A 9 -4.875 4.793 -3.888 1.00 0.00 C ATOM 112 CE2 PHE A 9 -4.327 3.189 -5.573 1.00 0.00 C ATOM 113 CZ PHE A 9 -3.963 4.256 -4.776 1.00 0.00 C ATOM 0 H PHE A 9 -10.524 2.096 -3.610 1.00 0.00 H new ATOM 0 HA PHE A 9 -7.998 3.023 -2.396 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -7.841 1.516 -4.523 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -8.483 2.901 -5.383 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -6.857 4.687 -3.104 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -5.878 1.827 -6.110 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -4.593 5.627 -3.263 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -3.616 2.767 -6.268 1.00 0.00 H new ATOM 0 HZ PHE A 9 -2.968 4.670 -4.847 1.00 0.00 H new ATOM 123 N GLU A 10 -8.953 5.296 -2.443 1.00 0.00 N ATOM 124 CA GLU A 10 -9.385 6.692 -2.482 1.00 0.00 C ATOM 125 C GLU A 10 -10.901 6.803 -2.383 1.00 0.00 C ATOM 126 O GLU A 10 -11.549 7.429 -3.222 1.00 0.00 O ATOM 127 CB GLU A 10 -8.884 7.373 -3.761 1.00 0.00 C ATOM 128 CG GLU A 10 -7.624 8.199 -3.554 1.00 0.00 C ATOM 129 CD GLU A 10 -6.646 8.068 -4.707 1.00 0.00 C ATOM 130 OE1 GLU A 10 -7.104 7.970 -5.864 1.00 0.00 O ATOM 131 OE2 GLU A 10 -5.423 8.065 -4.451 1.00 0.00 O ATOM 0 H GLU A 10 -8.439 5.042 -1.599 1.00 0.00 H new ATOM 0 HA GLU A 10 -8.952 7.200 -1.620 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -8.690 6.612 -4.517 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -9.671 8.017 -4.153 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -7.897 9.247 -3.431 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -7.136 7.886 -2.631 1.00 0.00 H new ATOM 138 N LYS A 11 -11.458 6.190 -1.345 1.00 0.00 N ATOM 139 CA LYS A 11 -12.898 6.214 -1.115 1.00 0.00 C ATOM 140 C LYS A 11 -13.661 5.443 -2.193 1.00 0.00 C ATOM 141 O LYS A 11 -14.888 5.345 -2.133 1.00 0.00 O ATOM 142 CB LYS A 11 -13.407 7.658 -1.045 1.00 0.00 C ATOM 143 CG LYS A 11 -13.534 8.187 0.375 1.00 0.00 C ATOM 144 CD LYS A 11 -12.532 9.298 0.650 1.00 0.00 C ATOM 145 CE LYS A 11 -13.153 10.671 0.443 1.00 0.00 C ATOM 146 NZ LYS A 11 -13.580 11.287 1.729 1.00 0.00 N ATOM 0 H LYS A 11 -10.931 5.667 -0.645 1.00 0.00 H new ATOM 0 HA LYS A 11 -13.081 5.721 -0.160 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -12.729 8.302 -1.605 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -14.379 7.717 -1.535 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -14.545 8.560 0.536 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -13.379 7.373 1.083 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -12.165 9.214 1.673 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -11.671 9.184 -0.008 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -12.434 11.324 -0.051 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -14.013 10.584 -0.221 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -13.998 12.221 1.545 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -14.286 10.677 2.189 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -12.755 11.394 2.353 1.00 0.00 H new ATOM 160 N VAL A 12 -12.947 4.884 -3.171 1.00 0.00 N ATOM 161 CA VAL A 12 -13.596 4.124 -4.226 1.00 0.00 C ATOM 162 C VAL A 12 -13.378 2.641 -4.024 1.00 0.00 C ATOM 163 O VAL A 12 -12.380 2.217 -3.444 1.00 0.00 O ATOM 164 CB VAL A 12 -13.096 4.529 -5.627 1.00 0.00 C ATOM 165 CG1 VAL A 12 -13.504 3.506 -6.684 1.00 0.00 C ATOM 166 CG2 VAL A 12 -13.646 5.891 -5.978 1.00 0.00 C ATOM 0 H VAL A 12 -11.932 4.945 -3.250 1.00 0.00 H new ATOM 0 HA VAL A 12 -14.661 4.351 -4.169 1.00 0.00 H new ATOM 0 HB VAL A 12 -12.007 4.564 -5.609 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -13.135 3.824 -7.659 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -13.078 2.534 -6.434 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -14.591 3.429 -6.715 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -13.295 6.181 -6.968 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -14.735 5.855 -5.976 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -13.305 6.621 -5.244 1.00 0.00 H new ATOM 176 N SER A 13 -14.322 1.858 -4.508 1.00 0.00 N ATOM 177 CA SER A 13 -14.238 0.413 -4.379 1.00 0.00 C ATOM 178 C SER A 13 -14.079 -0.250 -5.737 1.00 0.00 C ATOM 179 O SER A 13 -14.967 -0.181 -6.586 1.00 0.00 O ATOM 180 CB SER A 13 -15.471 -0.139 -3.670 1.00 0.00 C ATOM 181 OG SER A 13 -16.606 -0.112 -4.518 1.00 0.00 O ATOM 0 H SER A 13 -15.154 2.195 -4.993 1.00 0.00 H new ATOM 0 HA SER A 13 -13.356 0.186 -3.780 1.00 0.00 H new ATOM 0 HB2 SER A 13 -15.280 -1.162 -3.347 1.00 0.00 H new ATOM 0 HB3 SER A 13 -15.670 0.447 -2.773 1.00 0.00 H new ATOM 0 HG SER A 13 -16.317 0.001 -5.448 1.00 0.00 H new ATOM 187 N GLY A 14 -12.939 -0.897 -5.929 1.00 0.00 N ATOM 188 CA GLY A 14 -12.671 -1.572 -7.177 1.00 0.00 C ATOM 189 C GLY A 14 -12.024 -2.920 -6.962 1.00 0.00 C ATOM 190 O GLY A 14 -12.396 -3.658 -6.049 1.00 0.00 O ATOM 0 H GLY A 14 -12.193 -0.965 -5.237 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -13.603 -1.701 -7.727 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -12.020 -0.951 -7.793 1.00 0.00 H new ATOM 194 N ILE A 15 -11.049 -3.240 -7.798 1.00 0.00 N ATOM 195 CA ILE A 15 -10.342 -4.501 -7.696 1.00 0.00 C ATOM 196 C ILE A 15 -8.845 -4.290 -7.689 1.00 0.00 C ATOM 197 O ILE A 15 -8.307 -3.570 -8.525 1.00 0.00 O ATOM 198 CB ILE A 15 -10.669 -5.451 -8.865 1.00 0.00 C ATOM 199 CG1 ILE A 15 -12.175 -5.473 -9.145 1.00 0.00 C ATOM 200 CG2 ILE A 15 -10.141 -6.853 -8.569 1.00 0.00 C ATOM 201 CD1 ILE A 15 -13.028 -5.791 -7.936 1.00 0.00 C ATOM 0 H ILE A 15 -10.730 -2.639 -8.558 1.00 0.00 H new ATOM 0 HA ILE A 15 -10.672 -4.948 -6.759 1.00 0.00 H new ATOM 0 HB ILE A 15 -10.173 -5.082 -9.763 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -12.473 -4.502 -9.541 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -12.378 -6.210 -9.922 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -10.378 -7.515 -9.402 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -9.060 -6.814 -8.433 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -10.607 -7.233 -7.660 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -14.080 -5.786 -8.221 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -12.761 -6.775 -7.551 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -12.858 -5.041 -7.164 1.00 0.00 H new ATOM 213 N ILE A 16 -8.169 -4.976 -6.787 1.00 0.00 N ATOM 214 CA ILE A 16 -6.727 -4.913 -6.728 1.00 0.00 C ATOM 215 C ILE A 16 -6.223 -6.162 -7.411 1.00 0.00 C ATOM 216 O ILE A 16 -6.818 -7.229 -7.268 1.00 0.00 O ATOM 217 CB ILE A 16 -6.180 -4.844 -5.274 1.00 0.00 C ATOM 218 CG1 ILE A 16 -5.603 -3.459 -4.982 1.00 0.00 C ATOM 219 CG2 ILE A 16 -5.114 -5.909 -5.036 1.00 0.00 C ATOM 220 CD1 ILE A 16 -5.005 -3.337 -3.595 1.00 0.00 C ATOM 0 H ILE A 16 -8.598 -5.582 -6.087 1.00 0.00 H new ATOM 0 HA ILE A 16 -6.382 -4.001 -7.216 1.00 0.00 H new ATOM 0 HB ILE A 16 -7.014 -5.032 -4.597 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -4.836 -3.230 -5.722 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -6.390 -2.714 -5.097 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -4.750 -5.837 -4.011 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -5.544 -6.897 -5.199 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -4.285 -5.755 -5.727 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -4.614 -2.329 -3.455 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -5.774 -3.535 -2.848 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -4.196 -4.059 -3.483 1.00 0.00 H new ATOM 232 N ALA A 17 -5.162 -6.042 -8.173 1.00 0.00 N ATOM 233 CA ALA A 17 -4.658 -7.197 -8.879 1.00 0.00 C ATOM 234 C ALA A 17 -3.164 -7.099 -9.109 1.00 0.00 C ATOM 235 O ALA A 17 -2.668 -6.182 -9.762 1.00 0.00 O ATOM 236 CB ALA A 17 -5.434 -7.388 -10.172 1.00 0.00 C ATOM 0 H ALA A 17 -4.640 -5.178 -8.319 1.00 0.00 H new ATOM 0 HA ALA A 17 -4.810 -8.083 -8.263 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -5.050 -8.260 -10.701 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -6.489 -7.537 -9.944 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -5.319 -6.504 -10.799 1.00 0.00 H new ATOM 242 N ILE A 18 -2.459 -8.055 -8.530 1.00 0.00 N ATOM 243 CA ILE A 18 -1.013 -8.117 -8.610 1.00 0.00 C ATOM 244 C ILE A 18 -0.534 -8.724 -9.920 1.00 0.00 C ATOM 245 O ILE A 18 -1.132 -9.664 -10.444 1.00 0.00 O ATOM 246 CB ILE A 18 -0.447 -8.942 -7.444 1.00 0.00 C ATOM 247 CG1 ILE A 18 -1.044 -8.460 -6.119 1.00 0.00 C ATOM 248 CG2 ILE A 18 1.068 -8.855 -7.426 1.00 0.00 C ATOM 249 CD1 ILE A 18 -0.331 -8.995 -4.898 1.00 0.00 C ATOM 0 H ILE A 18 -2.877 -8.812 -7.989 1.00 0.00 H new ATOM 0 HA ILE A 18 -0.652 -7.090 -8.556 1.00 0.00 H new ATOM 0 HB ILE A 18 -0.723 -9.988 -7.580 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -1.019 -7.371 -6.095 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -2.092 -8.755 -6.075 1.00 0.00 H new ATOM 0 HG21 ILE A 18 1.456 -9.444 -6.595 1.00 0.00 H new ATOM 0 HG22 ILE A 18 1.466 -9.244 -8.363 1.00 0.00 H new ATOM 0 HG23 ILE A 18 1.371 -7.815 -7.307 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -0.811 -8.610 -3.998 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -0.379 -10.084 -4.897 1.00 0.00 H new ATOM 0 HD13 ILE A 18 0.712 -8.678 -4.917 1.00 0.00 H new ATOM 261 N ASN A 19 0.565 -8.183 -10.431 1.00 0.00 N ATOM 262 CA ASN A 19 1.155 -8.669 -11.667 1.00 0.00 C ATOM 263 C ASN A 19 2.573 -9.165 -11.407 1.00 0.00 C ATOM 264 O ASN A 19 3.526 -8.394 -11.442 1.00 0.00 O ATOM 265 CB ASN A 19 1.171 -7.563 -12.723 1.00 0.00 C ATOM 266 CG ASN A 19 0.880 -8.088 -14.115 1.00 0.00 C ATOM 267 OD1 ASN A 19 -0.176 -7.814 -14.686 1.00 0.00 O ATOM 268 ND2 ASN A 19 1.817 -8.849 -14.668 1.00 0.00 N ATOM 0 H ASN A 19 1.066 -7.404 -10.004 1.00 0.00 H new ATOM 0 HA ASN A 19 0.551 -9.496 -12.040 1.00 0.00 H new ATOM 0 HB2 ASN A 19 0.433 -6.805 -12.462 1.00 0.00 H new ATOM 0 HB3 ASN A 19 2.145 -7.074 -12.718 1.00 0.00 H new ATOM 0 HD21 ASN A 19 1.677 -9.232 -15.603 1.00 0.00 H new ATOM 0 HD22 ASN A 19 2.677 -9.050 -14.158 1.00 0.00 H new ATOM 275 N GLU A 20 2.700 -10.457 -11.134 1.00 0.00 N ATOM 276 CA GLU A 20 4.002 -11.057 -10.861 1.00 0.00 C ATOM 277 C GLU A 20 4.743 -11.389 -12.156 1.00 0.00 C ATOM 278 O GLU A 20 5.870 -11.882 -12.124 1.00 0.00 O ATOM 279 CB GLU A 20 3.834 -12.322 -10.016 1.00 0.00 C ATOM 280 CG GLU A 20 4.777 -12.386 -8.826 1.00 0.00 C ATOM 281 CD GLU A 20 5.365 -13.769 -8.622 1.00 0.00 C ATOM 282 OE1 GLU A 20 6.430 -14.054 -9.210 1.00 0.00 O ATOM 283 OE2 GLU A 20 4.761 -14.567 -7.876 1.00 0.00 O ATOM 0 H GLU A 20 1.918 -11.111 -11.095 1.00 0.00 H new ATOM 0 HA GLU A 20 4.596 -10.330 -10.307 1.00 0.00 H new ATOM 0 HB2 GLU A 20 2.806 -12.376 -9.658 1.00 0.00 H new ATOM 0 HB3 GLU A 20 3.998 -13.195 -10.647 1.00 0.00 H new ATOM 0 HG2 GLU A 20 5.585 -11.669 -8.969 1.00 0.00 H new ATOM 0 HG3 GLU A 20 4.241 -12.087 -7.926 1.00 0.00 H new ATOM 290 N ASP A 21 4.109 -11.112 -13.292 1.00 0.00 N ATOM 291 CA ASP A 21 4.716 -11.379 -14.591 1.00 0.00 C ATOM 292 C ASP A 21 5.655 -10.248 -15.006 1.00 0.00 C ATOM 293 O ASP A 21 6.245 -10.288 -16.086 1.00 0.00 O ATOM 294 CB ASP A 21 3.629 -11.563 -15.650 1.00 0.00 C ATOM 295 CG ASP A 21 2.844 -12.845 -15.458 1.00 0.00 C ATOM 296 OD1 ASP A 21 3.360 -13.763 -14.786 1.00 0.00 O ATOM 297 OD2 ASP A 21 1.712 -12.932 -15.979 1.00 0.00 O ATOM 0 H ASP A 21 3.176 -10.703 -13.339 1.00 0.00 H new ATOM 0 HA ASP A 21 5.301 -12.295 -14.507 1.00 0.00 H new ATOM 0 HB2 ASP A 21 2.946 -10.714 -15.617 1.00 0.00 H new ATOM 0 HB3 ASP A 21 4.087 -11.565 -16.639 1.00 0.00 H new ATOM 302 N VAL A 22 5.791 -9.242 -14.147 1.00 0.00 N ATOM 303 CA VAL A 22 6.662 -8.106 -14.437 1.00 0.00 C ATOM 304 C VAL A 22 7.970 -8.215 -13.659 1.00 0.00 C ATOM 305 O VAL A 22 8.320 -9.285 -13.159 1.00 0.00 O ATOM 306 CB VAL A 22 5.993 -6.745 -14.123 1.00 0.00 C ATOM 307 CG1 VAL A 22 5.787 -5.937 -15.394 1.00 0.00 C ATOM 308 CG2 VAL A 22 4.685 -6.948 -13.410 1.00 0.00 C ATOM 0 H VAL A 22 5.312 -9.189 -13.248 1.00 0.00 H new ATOM 0 HA VAL A 22 6.863 -8.141 -15.508 1.00 0.00 H new ATOM 0 HB VAL A 22 6.659 -6.185 -13.467 1.00 0.00 H new ATOM 0 HG11 VAL A 22 5.316 -4.985 -15.148 1.00 0.00 H new ATOM 0 HG12 VAL A 22 6.751 -5.753 -15.868 1.00 0.00 H new ATOM 0 HG13 VAL A 22 5.146 -6.493 -16.079 1.00 0.00 H new ATOM 0 HG21 VAL A 22 4.232 -5.980 -13.199 1.00 0.00 H new ATOM 0 HG22 VAL A 22 4.014 -7.533 -14.039 1.00 0.00 H new ATOM 0 HG23 VAL A 22 4.859 -7.479 -12.474 1.00 0.00 H new ATOM 318 N SER A 23 8.684 -7.103 -13.557 1.00 0.00 N ATOM 319 CA SER A 23 9.948 -7.064 -12.837 1.00 0.00 C ATOM 320 C SER A 23 10.475 -5.632 -12.767 1.00 0.00 C ATOM 321 O SER A 23 11.034 -5.125 -13.739 1.00 0.00 O ATOM 322 CB SER A 23 10.976 -7.968 -13.516 1.00 0.00 C ATOM 323 OG SER A 23 10.986 -7.768 -14.919 1.00 0.00 O ATOM 0 H SER A 23 8.407 -6.211 -13.967 1.00 0.00 H new ATOM 0 HA SER A 23 9.779 -7.426 -11.823 1.00 0.00 H new ATOM 0 HB2 SER A 23 11.967 -7.765 -13.110 1.00 0.00 H new ATOM 0 HB3 SER A 23 10.749 -9.011 -13.296 1.00 0.00 H new ATOM 0 HG SER A 23 11.053 -6.810 -15.112 1.00 0.00 H new ATOM 329 N PRO A 24 10.298 -4.952 -11.618 1.00 0.00 N ATOM 330 CA PRO A 24 9.635 -5.517 -10.432 1.00 0.00 C ATOM 331 C PRO A 24 8.128 -5.678 -10.614 1.00 0.00 C ATOM 332 O PRO A 24 7.539 -5.119 -11.539 1.00 0.00 O ATOM 333 CB PRO A 24 9.928 -4.485 -9.344 1.00 0.00 C ATOM 334 CG PRO A 24 10.112 -3.204 -10.079 1.00 0.00 C ATOM 335 CD PRO A 24 10.746 -3.567 -11.391 1.00 0.00 C ATOM 0 HA PRO A 24 9.998 -6.520 -10.208 1.00 0.00 H new ATOM 0 HB2 PRO A 24 9.107 -4.418 -8.630 1.00 0.00 H new ATOM 0 HB3 PRO A 24 10.821 -4.749 -8.778 1.00 0.00 H new ATOM 0 HG2 PRO A 24 9.157 -2.702 -10.233 1.00 0.00 H new ATOM 0 HG3 PRO A 24 10.745 -2.519 -9.516 1.00 0.00 H new ATOM 0 HD2 PRO A 24 10.420 -2.903 -12.192 1.00 0.00 H new ATOM 0 HD3 PRO A 24 11.833 -3.499 -11.344 1.00 0.00 H new ATOM 343 N ALA A 25 7.512 -6.449 -9.720 1.00 0.00 N ATOM 344 CA ALA A 25 6.071 -6.688 -9.771 1.00 0.00 C ATOM 345 C ALA A 25 5.289 -5.389 -9.711 1.00 0.00 C ATOM 346 O ALA A 25 5.860 -4.311 -9.550 1.00 0.00 O ATOM 347 CB ALA A 25 5.634 -7.589 -8.628 1.00 0.00 C ATOM 0 H ALA A 25 7.989 -6.919 -8.951 1.00 0.00 H new ATOM 0 HA ALA A 25 5.861 -7.179 -10.721 1.00 0.00 H new ATOM 0 HB1 ALA A 25 4.558 -7.754 -8.685 1.00 0.00 H new ATOM 0 HB2 ALA A 25 6.152 -8.545 -8.700 1.00 0.00 H new ATOM 0 HB3 ALA A 25 5.878 -7.115 -7.677 1.00 0.00 H new ATOM 353 N GLU A 26 3.970 -5.503 -9.823 1.00 0.00 N ATOM 354 CA GLU A 26 3.105 -4.336 -9.762 1.00 0.00 C ATOM 355 C GLU A 26 1.655 -4.736 -9.514 1.00 0.00 C ATOM 356 O GLU A 26 1.149 -5.678 -10.125 1.00 0.00 O ATOM 357 CB GLU A 26 3.212 -3.522 -11.053 1.00 0.00 C ATOM 358 CG GLU A 26 2.656 -4.237 -12.275 1.00 0.00 C ATOM 359 CD GLU A 26 3.238 -3.712 -13.573 1.00 0.00 C ATOM 360 OE1 GLU A 26 4.346 -3.136 -13.536 1.00 0.00 O ATOM 361 OE2 GLU A 26 2.587 -3.877 -14.626 1.00 0.00 O ATOM 0 H GLU A 26 3.481 -6.388 -9.956 1.00 0.00 H new ATOM 0 HA GLU A 26 3.436 -3.720 -8.926 1.00 0.00 H new ATOM 0 HB2 GLU A 26 2.681 -2.579 -10.922 1.00 0.00 H new ATOM 0 HB3 GLU A 26 4.259 -3.277 -11.232 1.00 0.00 H new ATOM 0 HG2 GLU A 26 2.864 -5.304 -12.193 1.00 0.00 H new ATOM 0 HG3 GLU A 26 1.572 -4.124 -12.295 1.00 0.00 H new ATOM 368 N LEU A 27 0.982 -4.005 -8.630 1.00 0.00 N ATOM 369 CA LEU A 27 -0.417 -4.278 -8.327 1.00 0.00 C ATOM 370 C LEU A 27 -1.291 -3.180 -8.933 1.00 0.00 C ATOM 371 O LEU A 27 -1.023 -1.994 -8.750 1.00 0.00 O ATOM 372 CB LEU A 27 -0.639 -4.408 -6.804 1.00 0.00 C ATOM 373 CG LEU A 27 -0.986 -3.121 -6.040 1.00 0.00 C ATOM 374 CD1 LEU A 27 -2.352 -2.573 -6.431 1.00 0.00 C ATOM 375 CD2 LEU A 27 -0.948 -3.387 -4.550 1.00 0.00 C ATOM 0 H LEU A 27 1.382 -3.222 -8.113 1.00 0.00 H new ATOM 0 HA LEU A 27 -0.701 -5.232 -8.770 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -1.441 -5.128 -6.638 1.00 0.00 H new ATOM 0 HB3 LEU A 27 0.264 -4.830 -6.364 1.00 0.00 H new ATOM 0 HG LEU A 27 -0.243 -2.369 -6.305 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -2.554 -1.663 -5.866 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -2.362 -2.347 -7.497 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -3.119 -3.316 -6.210 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -1.194 -2.472 -4.011 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -1.673 -4.162 -4.300 1.00 0.00 H new ATOM 0 HD23 LEU A 27 0.051 -3.718 -4.265 1.00 0.00 H new ATOM 387 N THR A 28 -2.315 -3.581 -9.678 1.00 0.00 N ATOM 388 CA THR A 28 -3.202 -2.621 -10.335 1.00 0.00 C ATOM 389 C THR A 28 -4.604 -2.622 -9.739 1.00 0.00 C ATOM 390 O THR A 28 -5.349 -3.593 -9.878 1.00 0.00 O ATOM 391 CB THR A 28 -3.283 -2.936 -11.830 1.00 0.00 C ATOM 392 OG1 THR A 28 -1.995 -3.201 -12.357 1.00 0.00 O ATOM 393 CG2 THR A 28 -3.891 -1.815 -12.645 1.00 0.00 C ATOM 0 H THR A 28 -2.553 -4.559 -9.843 1.00 0.00 H new ATOM 0 HA THR A 28 -2.780 -1.628 -10.178 1.00 0.00 H new ATOM 0 HB THR A 28 -3.929 -3.811 -11.907 1.00 0.00 H new ATOM 0 HG1 THR A 28 -2.068 -3.402 -13.313 1.00 0.00 H new ATOM 0 HG21 THR A 28 -3.919 -2.103 -13.696 1.00 0.00 H new ATOM 0 HG22 THR A 28 -4.905 -1.619 -12.295 1.00 0.00 H new ATOM 0 HG23 THR A 28 -3.288 -0.914 -12.532 1.00 0.00 H new ATOM 401 N TRP A 29 -4.968 -1.515 -9.096 1.00 0.00 N ATOM 402 CA TRP A 29 -6.282 -1.371 -8.507 1.00 0.00 C ATOM 403 C TRP A 29 -7.227 -0.722 -9.510 1.00 0.00 C ATOM 404 O TRP A 29 -7.089 0.457 -9.828 1.00 0.00 O ATOM 405 CB TRP A 29 -6.203 -0.505 -7.254 1.00 0.00 C ATOM 406 CG TRP A 29 -7.548 -0.169 -6.698 1.00 0.00 C ATOM 407 CD1 TRP A 29 -8.248 -0.900 -5.797 1.00 0.00 C ATOM 408 CD2 TRP A 29 -8.361 0.965 -7.020 1.00 0.00 C ATOM 409 NE1 TRP A 29 -9.451 -0.292 -5.520 1.00 0.00 N ATOM 410 CE2 TRP A 29 -9.542 0.858 -6.262 1.00 0.00 C ATOM 411 CE3 TRP A 29 -8.202 2.063 -7.872 1.00 0.00 C ATOM 412 CZ2 TRP A 29 -10.558 1.805 -6.330 1.00 0.00 C ATOM 413 CZ3 TRP A 29 -9.214 3.002 -7.939 1.00 0.00 C ATOM 414 CH2 TRP A 29 -10.377 2.869 -7.173 1.00 0.00 C ATOM 0 H TRP A 29 -4.362 -0.704 -8.973 1.00 0.00 H new ATOM 0 HA TRP A 29 -6.657 -2.358 -8.238 1.00 0.00 H new ATOM 0 HB2 TRP A 29 -5.620 -1.026 -6.494 1.00 0.00 H new ATOM 0 HB3 TRP A 29 -5.671 0.417 -7.488 1.00 0.00 H new ATOM 0 HD1 TRP A 29 -7.910 -1.827 -5.359 1.00 0.00 H new ATOM 0 HE1 TRP A 29 -10.157 -0.639 -4.871 1.00 0.00 H new ATOM 0 HE3 TRP A 29 -7.307 2.175 -8.465 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 -11.457 1.705 -5.740 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 -9.105 3.853 -8.594 1.00 0.00 H new ATOM 0 HH2 TRP A 29 -11.148 3.621 -7.248 1.00 0.00 H new ATOM 425 N ARG A 30 -8.185 -1.492 -10.003 1.00 0.00 N ATOM 426 CA ARG A 30 -9.148 -0.979 -10.972 1.00 0.00 C ATOM 427 C ARG A 30 -10.521 -0.809 -10.336 1.00 0.00 C ATOM 428 O ARG A 30 -11.060 -1.744 -9.750 1.00 0.00 O ATOM 429 CB ARG A 30 -9.243 -1.920 -12.174 1.00 0.00 C ATOM 430 CG ARG A 30 -10.174 -1.418 -13.267 1.00 0.00 C ATOM 431 CD ARG A 30 -9.399 -0.805 -14.423 1.00 0.00 C ATOM 432 NE ARG A 30 -10.054 -1.043 -15.708 1.00 0.00 N ATOM 433 CZ ARG A 30 -9.438 -0.940 -16.883 1.00 0.00 C ATOM 434 NH1 ARG A 30 -8.156 -0.602 -16.942 1.00 0.00 N ATOM 435 NH2 ARG A 30 -10.108 -1.173 -18.004 1.00 0.00 N ATOM 0 H ARG A 30 -8.318 -2.471 -9.751 1.00 0.00 H new ATOM 0 HA ARG A 30 -8.801 -0.002 -11.310 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -8.247 -2.062 -12.593 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -9.588 -2.896 -11.834 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -10.784 -2.243 -13.634 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -10.857 -0.677 -12.852 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -9.296 0.268 -14.262 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -8.392 -1.222 -14.446 1.00 0.00 H new ATOM 0 HE ARG A 30 -11.040 -1.303 -15.704 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -7.637 -0.419 -16.083 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -7.690 -0.525 -17.846 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -11.094 -1.431 -17.965 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -9.637 -1.094 -18.905 1.00 0.00 H new ATOM 449 N SER A 31 -11.092 0.385 -10.459 1.00 0.00 N ATOM 450 CA SER A 31 -12.411 0.659 -9.892 1.00 0.00 C ATOM 451 C SER A 31 -13.401 -0.427 -10.301 1.00 0.00 C ATOM 452 O SER A 31 -13.208 -1.101 -11.313 1.00 0.00 O ATOM 453 CB SER A 31 -12.915 2.026 -10.358 1.00 0.00 C ATOM 454 OG SER A 31 -14.309 2.157 -10.140 1.00 0.00 O ATOM 0 H SER A 31 -10.666 1.175 -10.943 1.00 0.00 H new ATOM 0 HA SER A 31 -12.325 0.666 -8.805 1.00 0.00 H new ATOM 0 HB2 SER A 31 -12.385 2.814 -9.824 1.00 0.00 H new ATOM 0 HB3 SER A 31 -12.696 2.156 -11.418 1.00 0.00 H new ATOM 0 HG SER A 31 -14.606 3.040 -10.445 1.00 0.00 H new ATOM 460 N THR A 32 -14.458 -0.594 -9.517 1.00 0.00 N ATOM 461 CA THR A 32 -15.466 -1.598 -9.815 1.00 0.00 C ATOM 462 C THR A 32 -16.275 -1.158 -11.020 1.00 0.00 C ATOM 463 O THR A 32 -16.645 -1.964 -11.874 1.00 0.00 O ATOM 464 CB THR A 32 -16.383 -1.815 -8.609 1.00 0.00 C ATOM 465 OG1 THR A 32 -15.663 -2.366 -7.521 1.00 0.00 O ATOM 466 CG2 THR A 32 -17.542 -2.739 -8.902 1.00 0.00 C ATOM 0 H THR A 32 -14.638 -0.049 -8.674 1.00 0.00 H new ATOM 0 HA THR A 32 -14.971 -2.543 -10.039 1.00 0.00 H new ATOM 0 HB THR A 32 -16.774 -0.828 -8.363 1.00 0.00 H new ATOM 0 HG1 THR A 32 -15.689 -1.745 -6.764 1.00 0.00 H new ATOM 0 HG21 THR A 32 -18.153 -2.851 -8.007 1.00 0.00 H new ATOM 0 HG22 THR A 32 -18.148 -2.319 -9.705 1.00 0.00 H new ATOM 0 HG23 THR A 32 -17.162 -3.714 -9.206 1.00 0.00 H new ATOM 474 N ASP A 33 -16.531 0.135 -11.075 1.00 0.00 N ATOM 475 CA ASP A 33 -17.283 0.723 -12.168 1.00 0.00 C ATOM 476 C ASP A 33 -16.408 0.901 -13.407 1.00 0.00 C ATOM 477 O ASP A 33 -16.905 1.215 -14.488 1.00 0.00 O ATOM 478 CB ASP A 33 -17.872 2.070 -11.745 1.00 0.00 C ATOM 479 CG ASP A 33 -19.258 2.299 -12.315 1.00 0.00 C ATOM 480 OD1 ASP A 33 -20.095 1.376 -12.229 1.00 0.00 O ATOM 481 OD2 ASP A 33 -19.506 3.401 -12.848 1.00 0.00 O ATOM 0 H ASP A 33 -16.226 0.804 -10.368 1.00 0.00 H new ATOM 0 HA ASP A 33 -18.096 0.042 -12.419 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -17.917 2.118 -10.657 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -17.210 2.872 -12.073 1.00 0.00 H new ATOM 486 N GLY A 34 -15.101 0.702 -13.245 1.00 0.00 N ATOM 487 CA GLY A 34 -14.187 0.849 -14.361 1.00 0.00 C ATOM 488 C GLY A 34 -14.040 2.291 -14.796 1.00 0.00 C ATOM 489 O GLY A 34 -14.026 2.589 -15.991 1.00 0.00 O ATOM 0 H GLY A 34 -14.662 0.442 -12.362 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -13.210 0.454 -14.082 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -14.544 0.253 -15.201 1.00 0.00 H new ATOM 493 N ASP A 35 -13.936 3.192 -13.824 1.00 0.00 N ATOM 494 CA ASP A 35 -13.796 4.613 -14.113 1.00 0.00 C ATOM 495 C ASP A 35 -12.351 5.070 -13.952 1.00 0.00 C ATOM 496 O ASP A 35 -11.942 6.077 -14.529 1.00 0.00 O ATOM 497 CB ASP A 35 -14.708 5.434 -13.200 1.00 0.00 C ATOM 498 CG ASP A 35 -15.311 6.631 -13.910 1.00 0.00 C ATOM 499 OD1 ASP A 35 -14.674 7.704 -13.908 1.00 0.00 O ATOM 500 OD2 ASP A 35 -16.420 6.493 -14.469 1.00 0.00 O ATOM 0 H ASP A 35 -13.946 2.962 -12.830 1.00 0.00 H new ATOM 0 HA ASP A 35 -14.090 4.773 -15.150 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -15.508 4.797 -12.823 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -14.139 5.776 -12.336 1.00 0.00 H new ATOM 505 N LYS A 36 -11.582 4.330 -13.162 1.00 0.00 N ATOM 506 CA LYS A 36 -10.185 4.673 -12.929 1.00 0.00 C ATOM 507 C LYS A 36 -9.442 3.542 -12.238 1.00 0.00 C ATOM 508 O LYS A 36 -10.034 2.715 -11.547 1.00 0.00 O ATOM 509 CB LYS A 36 -10.082 5.960 -12.105 1.00 0.00 C ATOM 510 CG LYS A 36 -11.169 6.113 -11.050 1.00 0.00 C ATOM 511 CD LYS A 36 -10.803 5.397 -9.761 1.00 0.00 C ATOM 512 CE LYS A 36 -9.824 6.210 -8.930 1.00 0.00 C ATOM 513 NZ LYS A 36 -10.241 7.635 -8.813 1.00 0.00 N ATOM 0 H LYS A 36 -11.900 3.493 -12.674 1.00 0.00 H new ATOM 0 HA LYS A 36 -9.716 4.836 -13.899 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -9.109 5.988 -11.615 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -10.123 6.815 -12.780 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -11.332 7.171 -10.845 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -12.108 5.715 -11.434 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -11.706 5.208 -9.180 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -10.365 4.427 -9.994 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -9.743 5.773 -7.935 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -8.834 6.158 -9.383 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -9.849 8.041 -7.939 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -9.886 8.169 -9.632 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -11.279 7.692 -8.786 1.00 0.00 H new ATOM 527 N VAL A 37 -8.136 3.508 -12.461 1.00 0.00 N ATOM 528 CA VAL A 37 -7.281 2.479 -11.903 1.00 0.00 C ATOM 529 C VAL A 37 -5.942 3.061 -11.455 1.00 0.00 C ATOM 530 O VAL A 37 -5.501 4.093 -11.959 1.00 0.00 O ATOM 531 CB VAL A 37 -7.045 1.367 -12.947 1.00 0.00 C ATOM 532 CG1 VAL A 37 -6.946 1.968 -14.345 1.00 0.00 C ATOM 533 CG2 VAL A 37 -5.803 0.536 -12.621 1.00 0.00 C ATOM 0 H VAL A 37 -7.643 4.193 -13.033 1.00 0.00 H new ATOM 0 HA VAL A 37 -7.781 2.058 -11.030 1.00 0.00 H new ATOM 0 HB VAL A 37 -7.900 0.692 -12.915 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -6.780 1.173 -15.072 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -7.873 2.489 -14.583 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -6.115 2.672 -14.380 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -5.672 -0.236 -13.380 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -4.926 1.183 -12.606 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -5.925 0.068 -11.644 1.00 0.00 H new ATOM 543 N HIS A 38 -5.300 2.385 -10.509 1.00 0.00 N ATOM 544 CA HIS A 38 -4.010 2.826 -9.995 1.00 0.00 C ATOM 545 C HIS A 38 -3.018 1.668 -9.978 1.00 0.00 C ATOM 546 O HIS A 38 -3.263 0.637 -9.351 1.00 0.00 O ATOM 547 CB HIS A 38 -4.166 3.404 -8.589 1.00 0.00 C ATOM 548 CG HIS A 38 -4.835 4.743 -8.563 1.00 0.00 C ATOM 549 ND1 HIS A 38 -4.737 5.653 -9.594 1.00 0.00 N ATOM 550 CD2 HIS A 38 -5.618 5.326 -7.622 1.00 0.00 C ATOM 551 CE1 HIS A 38 -5.428 6.737 -9.289 1.00 0.00 C ATOM 552 NE2 HIS A 38 -5.972 6.564 -8.099 1.00 0.00 N ATOM 0 H HIS A 38 -5.653 1.528 -10.082 1.00 0.00 H new ATOM 0 HA HIS A 38 -3.626 3.605 -10.654 1.00 0.00 H new ATOM 0 HB2 HIS A 38 -4.742 2.707 -7.981 1.00 0.00 H new ATOM 0 HB3 HIS A 38 -3.182 3.490 -8.129 1.00 0.00 H new ATOM 0 HD2 HIS A 38 -5.909 4.897 -6.675 1.00 0.00 H new ATOM 0 HE1 HIS A 38 -5.530 7.616 -9.908 1.00 0.00 H new ATOM 0 HE2 HIS A 38 -6.560 7.240 -7.612 1.00 0.00 H new ATOM 561 N THR A 39 -1.900 1.840 -10.674 1.00 0.00 N ATOM 562 CA THR A 39 -0.876 0.804 -10.741 1.00 0.00 C ATOM 563 C THR A 39 0.224 1.056 -9.716 1.00 0.00 C ATOM 564 O THR A 39 0.798 2.145 -9.659 1.00 0.00 O ATOM 565 CB THR A 39 -0.275 0.739 -12.146 1.00 0.00 C ATOM 566 OG1 THR A 39 -1.152 1.322 -13.094 1.00 0.00 O ATOM 567 CG2 THR A 39 0.021 -0.673 -12.604 1.00 0.00 C ATOM 0 H THR A 39 -1.680 2.686 -11.199 1.00 0.00 H new ATOM 0 HA THR A 39 -1.348 -0.151 -10.511 1.00 0.00 H new ATOM 0 HB THR A 39 0.664 1.290 -12.085 1.00 0.00 H new ATOM 0 HG1 THR A 39 -0.749 1.272 -13.986 1.00 0.00 H new ATOM 0 HG21 THR A 39 0.445 -0.649 -13.608 1.00 0.00 H new ATOM 0 HG22 THR A 39 0.733 -1.136 -11.920 1.00 0.00 H new ATOM 0 HG23 THR A 39 -0.902 -1.253 -12.614 1.00 0.00 H new ATOM 575 N VAL A 40 0.510 0.044 -8.906 1.00 0.00 N ATOM 576 CA VAL A 40 1.537 0.148 -7.880 1.00 0.00 C ATOM 577 C VAL A 40 2.715 -0.766 -8.187 1.00 0.00 C ATOM 578 O VAL A 40 2.531 -1.912 -8.591 1.00 0.00 O ATOM 579 CB VAL A 40 0.970 -0.210 -6.482 1.00 0.00 C ATOM 580 CG1 VAL A 40 1.756 -1.339 -5.820 1.00 0.00 C ATOM 581 CG2 VAL A 40 0.955 1.008 -5.582 1.00 0.00 C ATOM 0 H VAL A 40 0.042 -0.862 -8.941 1.00 0.00 H new ATOM 0 HA VAL A 40 1.878 1.183 -7.874 1.00 0.00 H new ATOM 0 HB VAL A 40 -0.053 -0.557 -6.630 1.00 0.00 H new ATOM 0 HG11 VAL A 40 1.325 -1.558 -4.843 1.00 0.00 H new ATOM 0 HG12 VAL A 40 1.709 -2.231 -6.445 1.00 0.00 H new ATOM 0 HG13 VAL A 40 2.796 -1.036 -5.698 1.00 0.00 H new ATOM 0 HG21 VAL A 40 0.554 0.734 -4.606 1.00 0.00 H new ATOM 0 HG22 VAL A 40 1.971 1.385 -5.464 1.00 0.00 H new ATOM 0 HG23 VAL A 40 0.330 1.782 -6.028 1.00 0.00 H new ATOM 591 N VAL A 41 3.918 -0.263 -7.958 1.00 0.00 N ATOM 592 CA VAL A 41 5.123 -1.046 -8.170 1.00 0.00 C ATOM 593 C VAL A 41 5.669 -1.501 -6.823 1.00 0.00 C ATOM 594 O VAL A 41 6.378 -0.756 -6.149 1.00 0.00 O ATOM 595 CB VAL A 41 6.203 -0.245 -8.923 1.00 0.00 C ATOM 596 CG1 VAL A 41 7.414 -1.118 -9.213 1.00 0.00 C ATOM 597 CG2 VAL A 41 5.636 0.334 -10.209 1.00 0.00 C ATOM 0 H VAL A 41 4.085 0.686 -7.625 1.00 0.00 H new ATOM 0 HA VAL A 41 4.862 -1.908 -8.784 1.00 0.00 H new ATOM 0 HB VAL A 41 6.524 0.581 -8.288 1.00 0.00 H new ATOM 0 HG11 VAL A 41 8.165 -0.534 -9.745 1.00 0.00 H new ATOM 0 HG12 VAL A 41 7.834 -1.481 -8.275 1.00 0.00 H new ATOM 0 HG13 VAL A 41 7.112 -1.966 -9.827 1.00 0.00 H new ATOM 0 HG21 VAL A 41 6.412 0.896 -10.728 1.00 0.00 H new ATOM 0 HG22 VAL A 41 5.285 -0.476 -10.849 1.00 0.00 H new ATOM 0 HG23 VAL A 41 4.803 0.997 -9.974 1.00 0.00 H new ATOM 607 N LEU A 42 5.315 -2.725 -6.429 1.00 0.00 N ATOM 608 CA LEU A 42 5.743 -3.288 -5.149 1.00 0.00 C ATOM 609 C LEU A 42 7.212 -2.974 -4.846 1.00 0.00 C ATOM 610 O LEU A 42 7.617 -2.933 -3.685 1.00 0.00 O ATOM 611 CB LEU A 42 5.519 -4.803 -5.141 1.00 0.00 C ATOM 612 CG LEU A 42 4.063 -5.273 -5.004 1.00 0.00 C ATOM 613 CD1 LEU A 42 3.638 -5.322 -3.550 1.00 0.00 C ATOM 614 CD2 LEU A 42 3.109 -4.387 -5.777 1.00 0.00 C ATOM 0 H LEU A 42 4.729 -3.349 -6.983 1.00 0.00 H new ATOM 0 HA LEU A 42 5.140 -2.824 -4.368 1.00 0.00 H new ATOM 0 HB2 LEU A 42 5.926 -5.214 -6.065 1.00 0.00 H new ATOM 0 HB3 LEU A 42 6.095 -5.230 -4.320 1.00 0.00 H new ATOM 0 HG LEU A 42 4.019 -6.278 -5.425 1.00 0.00 H new ATOM 0 HD11 LEU A 42 2.603 -5.658 -3.485 1.00 0.00 H new ATOM 0 HD12 LEU A 42 4.280 -6.015 -3.007 1.00 0.00 H new ATOM 0 HD13 LEU A 42 3.725 -4.328 -3.112 1.00 0.00 H new ATOM 0 HD21 LEU A 42 2.090 -4.754 -5.653 1.00 0.00 H new ATOM 0 HD22 LEU A 42 3.175 -3.366 -5.401 1.00 0.00 H new ATOM 0 HD23 LEU A 42 3.374 -4.402 -6.834 1.00 0.00 H new ATOM 626 N SER A 43 8.001 -2.740 -5.892 1.00 0.00 N ATOM 627 CA SER A 43 9.413 -2.417 -5.726 1.00 0.00 C ATOM 628 C SER A 43 9.558 -0.979 -5.263 1.00 0.00 C ATOM 629 O SER A 43 10.255 -0.696 -4.290 1.00 0.00 O ATOM 630 CB SER A 43 10.173 -2.630 -7.034 1.00 0.00 C ATOM 631 OG SER A 43 11.338 -1.823 -7.092 1.00 0.00 O ATOM 0 H SER A 43 7.686 -2.768 -6.862 1.00 0.00 H new ATOM 0 HA SER A 43 9.838 -3.081 -4.973 1.00 0.00 H new ATOM 0 HB2 SER A 43 10.451 -3.680 -7.129 1.00 0.00 H new ATOM 0 HB3 SER A 43 9.523 -2.395 -7.877 1.00 0.00 H new ATOM 0 HG SER A 43 11.959 -2.193 -7.754 1.00 0.00 H new ATOM 637 N THR A 44 8.867 -0.073 -5.948 1.00 0.00 N ATOM 638 CA THR A 44 8.896 1.322 -5.583 1.00 0.00 C ATOM 639 C THR A 44 8.268 1.486 -4.209 1.00 0.00 C ATOM 640 O THR A 44 8.615 2.396 -3.457 1.00 0.00 O ATOM 641 CB THR A 44 8.139 2.144 -6.619 1.00 0.00 C ATOM 642 OG1 THR A 44 6.748 1.883 -6.552 1.00 0.00 O ATOM 643 CG2 THR A 44 8.592 1.884 -8.040 1.00 0.00 C ATOM 0 H THR A 44 8.284 -0.289 -6.756 1.00 0.00 H new ATOM 0 HA THR A 44 9.926 1.676 -5.551 1.00 0.00 H new ATOM 0 HB THR A 44 8.355 3.184 -6.373 1.00 0.00 H new ATOM 0 HG1 THR A 44 6.601 0.979 -6.204 1.00 0.00 H new ATOM 0 HG21 THR A 44 8.012 2.502 -8.726 1.00 0.00 H new ATOM 0 HG22 THR A 44 9.649 2.131 -8.136 1.00 0.00 H new ATOM 0 HG23 THR A 44 8.441 0.832 -8.283 1.00 0.00 H new ATOM 651 N ILE A 45 7.351 0.574 -3.878 1.00 0.00 N ATOM 652 CA ILE A 45 6.691 0.596 -2.583 1.00 0.00 C ATOM 653 C ILE A 45 7.723 0.547 -1.456 1.00 0.00 C ATOM 654 O ILE A 45 8.348 -0.487 -1.220 1.00 0.00 O ATOM 655 CB ILE A 45 5.727 -0.598 -2.430 1.00 0.00 C ATOM 656 CG1 ILE A 45 4.624 -0.535 -3.489 1.00 0.00 C ATOM 657 CG2 ILE A 45 5.131 -0.633 -1.029 1.00 0.00 C ATOM 658 CD1 ILE A 45 3.712 0.663 -3.351 1.00 0.00 C ATOM 0 H ILE A 45 7.053 -0.185 -4.491 1.00 0.00 H new ATOM 0 HA ILE A 45 6.122 1.524 -2.521 1.00 0.00 H new ATOM 0 HB ILE A 45 6.292 -1.518 -2.579 1.00 0.00 H new ATOM 0 HG12 ILE A 45 5.083 -0.518 -4.477 1.00 0.00 H new ATOM 0 HG13 ILE A 45 4.025 -1.444 -3.431 1.00 0.00 H new ATOM 0 HG21 ILE A 45 4.454 -1.483 -0.943 1.00 0.00 H new ATOM 0 HG22 ILE A 45 5.931 -0.731 -0.295 1.00 0.00 H new ATOM 0 HG23 ILE A 45 4.580 0.290 -0.845 1.00 0.00 H new ATOM 0 HD11 ILE A 45 2.957 0.638 -4.137 1.00 0.00 H new ATOM 0 HD12 ILE A 45 3.223 0.638 -2.377 1.00 0.00 H new ATOM 0 HD13 ILE A 45 4.297 1.578 -3.440 1.00 0.00 H new ATOM 670 N ASP A 46 7.899 1.669 -0.762 1.00 0.00 N ATOM 671 CA ASP A 46 8.857 1.749 0.339 1.00 0.00 C ATOM 672 C ASP A 46 8.689 0.575 1.302 1.00 0.00 C ATOM 673 O ASP A 46 9.663 0.084 1.874 1.00 0.00 O ATOM 674 CB ASP A 46 8.687 3.068 1.095 1.00 0.00 C ATOM 675 CG ASP A 46 9.816 3.321 2.076 1.00 0.00 C ATOM 676 OD1 ASP A 46 10.514 2.354 2.440 1.00 0.00 O ATOM 677 OD2 ASP A 46 9.999 4.488 2.480 1.00 0.00 O ATOM 0 H ASP A 46 7.391 2.535 -0.942 1.00 0.00 H new ATOM 0 HA ASP A 46 9.860 1.704 -0.086 1.00 0.00 H new ATOM 0 HB2 ASP A 46 8.639 3.890 0.380 1.00 0.00 H new ATOM 0 HB3 ASP A 46 7.738 3.057 1.632 1.00 0.00 H new ATOM 682 N LYS A 47 7.449 0.127 1.471 1.00 0.00 N ATOM 683 CA LYS A 47 7.154 -0.990 2.360 1.00 0.00 C ATOM 684 C LYS A 47 5.695 -1.416 2.231 1.00 0.00 C ATOM 685 O LYS A 47 4.872 -0.691 1.675 1.00 0.00 O ATOM 686 CB LYS A 47 7.467 -0.617 3.811 1.00 0.00 C ATOM 687 CG LYS A 47 6.544 0.446 4.385 1.00 0.00 C ATOM 688 CD LYS A 47 6.737 0.600 5.887 1.00 0.00 C ATOM 689 CE LYS A 47 6.840 2.063 6.289 1.00 0.00 C ATOM 690 NZ LYS A 47 7.652 2.243 7.524 1.00 0.00 N ATOM 0 H LYS A 47 6.632 0.521 1.004 1.00 0.00 H new ATOM 0 HA LYS A 47 7.785 -1.829 2.069 1.00 0.00 H new ATOM 0 HB2 LYS A 47 7.402 -1.513 4.429 1.00 0.00 H new ATOM 0 HB3 LYS A 47 8.496 -0.262 3.871 1.00 0.00 H new ATOM 0 HG2 LYS A 47 6.735 1.400 3.893 1.00 0.00 H new ATOM 0 HG3 LYS A 47 5.508 0.181 4.175 1.00 0.00 H new ATOM 0 HD2 LYS A 47 5.902 0.135 6.412 1.00 0.00 H new ATOM 0 HD3 LYS A 47 7.640 0.073 6.195 1.00 0.00 H new ATOM 0 HE2 LYS A 47 7.287 2.633 5.474 1.00 0.00 H new ATOM 0 HE3 LYS A 47 5.840 2.467 6.450 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 7.698 3.254 7.765 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 7.212 1.720 8.308 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 8.614 1.881 7.363 1.00 0.00 H new ATOM 704 N LEU A 48 5.383 -2.599 2.747 1.00 0.00 N ATOM 705 CA LEU A 48 4.024 -3.128 2.687 1.00 0.00 C ATOM 706 C LEU A 48 3.377 -3.118 4.072 1.00 0.00 C ATOM 707 O LEU A 48 3.862 -3.771 4.996 1.00 0.00 O ATOM 708 CB LEU A 48 4.041 -4.555 2.137 1.00 0.00 C ATOM 709 CG LEU A 48 2.693 -5.278 2.170 1.00 0.00 C ATOM 710 CD1 LEU A 48 1.884 -4.949 0.926 1.00 0.00 C ATOM 711 CD2 LEU A 48 2.898 -6.780 2.298 1.00 0.00 C ATOM 0 H LEU A 48 6.053 -3.211 3.212 1.00 0.00 H new ATOM 0 HA LEU A 48 3.438 -2.491 2.024 1.00 0.00 H new ATOM 0 HB2 LEU A 48 4.396 -4.527 1.107 1.00 0.00 H new ATOM 0 HB3 LEU A 48 4.763 -5.139 2.707 1.00 0.00 H new ATOM 0 HG LEU A 48 2.136 -4.934 3.041 1.00 0.00 H new ATOM 0 HD11 LEU A 48 0.928 -5.471 0.965 1.00 0.00 H new ATOM 0 HD12 LEU A 48 1.709 -3.874 0.880 1.00 0.00 H new ATOM 0 HD13 LEU A 48 2.434 -5.265 0.040 1.00 0.00 H new ATOM 0 HD21 LEU A 48 1.929 -7.279 2.320 1.00 0.00 H new ATOM 0 HD22 LEU A 48 3.474 -7.143 1.446 1.00 0.00 H new ATOM 0 HD23 LEU A 48 3.438 -6.996 3.220 1.00 0.00 H new ATOM 723 N GLN A 49 2.277 -2.384 4.207 1.00 0.00 N ATOM 724 CA GLN A 49 1.563 -2.304 5.476 1.00 0.00 C ATOM 725 C GLN A 49 0.171 -2.906 5.341 1.00 0.00 C ATOM 726 O GLN A 49 -0.442 -2.829 4.282 1.00 0.00 O ATOM 727 CB GLN A 49 1.451 -0.850 5.931 1.00 0.00 C ATOM 728 CG GLN A 49 2.737 -0.056 5.763 1.00 0.00 C ATOM 729 CD GLN A 49 2.867 1.065 6.776 1.00 0.00 C ATOM 730 OE1 GLN A 49 3.938 1.286 7.340 1.00 0.00 O ATOM 731 NE2 GLN A 49 1.772 1.779 7.013 1.00 0.00 N ATOM 0 H GLN A 49 1.861 -1.836 3.454 1.00 0.00 H new ATOM 0 HA GLN A 49 2.124 -2.869 6.221 1.00 0.00 H new ATOM 0 HB2 GLN A 49 0.657 -0.362 5.366 1.00 0.00 H new ATOM 0 HB3 GLN A 49 1.156 -0.829 6.980 1.00 0.00 H new ATOM 0 HG2 GLN A 49 3.590 -0.728 5.859 1.00 0.00 H new ATOM 0 HG3 GLN A 49 2.773 0.362 4.757 1.00 0.00 H new ATOM 0 HE21 GLN A 49 0.905 1.561 6.522 1.00 0.00 H new ATOM 0 HE22 GLN A 49 1.799 2.545 7.686 1.00 0.00 H new ATOM 740 N ALA A 50 -0.324 -3.513 6.411 1.00 0.00 N ATOM 741 CA ALA A 50 -1.643 -4.127 6.394 1.00 0.00 C ATOM 742 C ALA A 50 -2.210 -4.243 7.807 1.00 0.00 C ATOM 743 O ALA A 50 -1.459 -4.396 8.770 1.00 0.00 O ATOM 744 CB ALA A 50 -1.555 -5.487 5.734 1.00 0.00 C ATOM 0 H ALA A 50 0.168 -3.593 7.301 1.00 0.00 H new ATOM 0 HA ALA A 50 -2.322 -3.495 5.821 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -2.542 -5.949 5.720 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -1.193 -5.373 4.712 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -0.866 -6.119 6.294 1.00 0.00 H new ATOM 750 N THR A 51 -3.535 -4.169 7.933 1.00 0.00 N ATOM 751 CA THR A 51 -4.176 -4.268 9.241 1.00 0.00 C ATOM 752 C THR A 51 -3.740 -5.543 9.965 1.00 0.00 C ATOM 753 O THR A 51 -3.628 -6.604 9.353 1.00 0.00 O ATOM 754 CB THR A 51 -5.698 -4.242 9.096 1.00 0.00 C ATOM 755 OG1 THR A 51 -6.108 -5.003 7.974 1.00 0.00 O ATOM 756 CG2 THR A 51 -6.260 -2.846 8.933 1.00 0.00 C ATOM 0 H THR A 51 -4.179 -4.042 7.152 1.00 0.00 H new ATOM 0 HA THR A 51 -3.865 -3.409 9.835 1.00 0.00 H new ATOM 0 HB THR A 51 -6.083 -4.666 10.023 1.00 0.00 H new ATOM 0 HG1 THR A 51 -6.886 -5.548 8.215 1.00 0.00 H new ATOM 0 HG21 THR A 51 -7.344 -2.899 8.835 1.00 0.00 H new ATOM 0 HG22 THR A 51 -6.003 -2.246 9.806 1.00 0.00 H new ATOM 0 HG23 THR A 51 -5.838 -2.386 8.040 1.00 0.00 H new ATOM 764 N PRO A 52 -3.482 -5.454 11.284 1.00 0.00 N ATOM 765 CA PRO A 52 -3.050 -6.606 12.083 1.00 0.00 C ATOM 766 C PRO A 52 -4.154 -7.645 12.255 1.00 0.00 C ATOM 767 O PRO A 52 -5.330 -7.360 12.031 1.00 0.00 O ATOM 768 CB PRO A 52 -2.684 -5.988 13.435 1.00 0.00 C ATOM 769 CG PRO A 52 -3.482 -4.733 13.507 1.00 0.00 C ATOM 770 CD PRO A 52 -3.584 -4.226 12.096 1.00 0.00 C ATOM 0 HA PRO A 52 -2.229 -7.142 11.607 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -2.929 -6.661 14.257 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -1.616 -5.782 13.500 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -4.470 -4.922 13.926 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -2.998 -3.999 14.151 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -4.527 -3.707 11.923 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -2.785 -3.522 11.863 1.00 0.00 H new ATOM 778 N ALA A 53 -3.763 -8.852 12.654 1.00 0.00 N ATOM 779 CA ALA A 53 -4.716 -9.937 12.858 1.00 0.00 C ATOM 780 C ALA A 53 -5.638 -9.643 14.036 1.00 0.00 C ATOM 781 O ALA A 53 -6.799 -10.053 14.046 1.00 0.00 O ATOM 782 CB ALA A 53 -3.980 -11.250 13.077 1.00 0.00 C ATOM 0 H ALA A 53 -2.792 -9.103 12.842 1.00 0.00 H new ATOM 0 HA ALA A 53 -5.330 -10.022 11.962 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -4.703 -12.052 13.228 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -3.367 -11.474 12.204 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -3.341 -11.167 13.956 1.00 0.00 H new ATOM 788 N SER A 54 -5.116 -8.927 15.027 1.00 0.00 N ATOM 789 CA SER A 54 -5.896 -8.576 16.208 1.00 0.00 C ATOM 790 C SER A 54 -6.965 -7.541 15.868 1.00 0.00 C ATOM 791 O SER A 54 -7.954 -7.396 16.586 1.00 0.00 O ATOM 792 CB SER A 54 -4.981 -8.038 17.310 1.00 0.00 C ATOM 793 OG SER A 54 -3.825 -7.430 16.761 1.00 0.00 O ATOM 0 H SER A 54 -4.157 -8.579 15.036 1.00 0.00 H new ATOM 0 HA SER A 54 -6.391 -9.479 16.566 1.00 0.00 H new ATOM 0 HB2 SER A 54 -5.524 -7.313 17.916 1.00 0.00 H new ATOM 0 HB3 SER A 54 -4.688 -8.852 17.973 1.00 0.00 H new ATOM 0 HG SER A 54 -3.257 -7.093 17.485 1.00 0.00 H new ATOM 799 N SER A 55 -6.760 -6.829 14.765 1.00 0.00 N ATOM 800 CA SER A 55 -7.703 -5.811 14.323 1.00 0.00 C ATOM 801 C SER A 55 -8.691 -6.391 13.322 1.00 0.00 C ATOM 802 O SER A 55 -8.311 -6.807 12.228 1.00 0.00 O ATOM 803 CB SER A 55 -6.957 -4.633 13.694 1.00 0.00 C ATOM 804 OG SER A 55 -6.276 -3.875 14.680 1.00 0.00 O ATOM 0 H SER A 55 -5.946 -6.940 14.160 1.00 0.00 H new ATOM 0 HA SER A 55 -8.256 -5.458 15.194 1.00 0.00 H new ATOM 0 HB2 SER A 55 -6.243 -5.002 12.957 1.00 0.00 H new ATOM 0 HB3 SER A 55 -7.662 -3.994 13.162 1.00 0.00 H new ATOM 0 HG SER A 55 -6.893 -3.659 15.410 1.00 0.00 H new ATOM 810 N GLU A 56 -9.965 -6.407 13.701 1.00 0.00 N ATOM 811 CA GLU A 56 -11.012 -6.926 12.832 1.00 0.00 C ATOM 812 C GLU A 56 -11.002 -6.204 11.487 1.00 0.00 C ATOM 813 O GLU A 56 -11.552 -6.698 10.502 1.00 0.00 O ATOM 814 CB GLU A 56 -12.381 -6.774 13.496 1.00 0.00 C ATOM 815 CG GLU A 56 -13.373 -7.857 13.104 1.00 0.00 C ATOM 816 CD GLU A 56 -14.699 -7.723 13.826 1.00 0.00 C ATOM 817 OE1 GLU A 56 -14.702 -7.237 14.976 1.00 0.00 O ATOM 818 OE2 GLU A 56 -15.734 -8.105 13.241 1.00 0.00 O ATOM 0 H GLU A 56 -10.296 -6.066 14.604 1.00 0.00 H new ATOM 0 HA GLU A 56 -10.818 -7.985 12.661 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -12.253 -6.785 14.578 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -12.796 -5.801 13.234 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -13.544 -7.816 12.028 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -12.943 -8.835 13.321 1.00 0.00 H new ATOM 825 N LYS A 57 -10.369 -5.035 11.452 1.00 0.00 N ATOM 826 CA LYS A 57 -10.285 -4.248 10.228 1.00 0.00 C ATOM 827 C LYS A 57 -9.414 -4.950 9.190 1.00 0.00 C ATOM 828 O LYS A 57 -8.285 -5.348 9.478 1.00 0.00 O ATOM 829 CB LYS A 57 -9.720 -2.859 10.527 1.00 0.00 C ATOM 830 CG LYS A 57 -10.490 -2.106 11.599 1.00 0.00 C ATOM 831 CD LYS A 57 -11.873 -1.703 11.112 1.00 0.00 C ATOM 832 CE LYS A 57 -12.234 -0.296 11.562 1.00 0.00 C ATOM 833 NZ LYS A 57 -13.707 -0.106 11.664 1.00 0.00 N ATOM 0 H LYS A 57 -9.907 -4.613 12.257 1.00 0.00 H new ATOM 0 HA LYS A 57 -11.292 -4.144 9.823 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -8.681 -2.959 10.840 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -9.721 -2.270 9.610 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -10.584 -2.730 12.488 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -9.933 -1.216 11.892 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -11.907 -1.758 10.024 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -12.613 -2.408 11.490 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -11.774 -0.095 12.530 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -11.823 0.427 10.858 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -13.911 0.866 11.973 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -14.144 -0.272 10.735 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -14.097 -0.778 12.355 1.00 0.00 H new ATOM 847 N MET A 58 -9.948 -5.096 7.982 1.00 0.00 N ATOM 848 CA MET A 58 -9.221 -5.746 6.896 1.00 0.00 C ATOM 849 C MET A 58 -8.807 -4.724 5.844 1.00 0.00 C ATOM 850 O MET A 58 -9.610 -4.328 5.000 1.00 0.00 O ATOM 851 CB MET A 58 -10.084 -6.839 6.256 1.00 0.00 C ATOM 852 CG MET A 58 -11.553 -6.465 6.133 1.00 0.00 C ATOM 853 SD MET A 58 -12.492 -6.835 7.629 1.00 0.00 S ATOM 854 CE MET A 58 -12.958 -8.536 7.327 1.00 0.00 C ATOM 0 H MET A 58 -10.882 -4.773 7.730 1.00 0.00 H new ATOM 0 HA MET A 58 -8.323 -6.204 7.310 1.00 0.00 H new ATOM 0 HB2 MET A 58 -9.692 -7.065 5.265 1.00 0.00 H new ATOM 0 HB3 MET A 58 -9.999 -7.750 6.848 1.00 0.00 H new ATOM 0 HG2 MET A 58 -11.636 -5.401 5.911 1.00 0.00 H new ATOM 0 HG3 MET A 58 -11.991 -7.002 5.292 1.00 0.00 H new ATOM 0 HE1 MET A 58 -13.764 -8.818 8.005 1.00 0.00 H new ATOM 0 HE2 MET A 58 -13.296 -8.643 6.296 1.00 0.00 H new ATOM 0 HE3 MET A 58 -12.098 -9.184 7.496 1.00 0.00 H new ATOM 864 N MET A 59 -7.552 -4.289 5.908 1.00 0.00 N ATOM 865 CA MET A 59 -7.041 -3.300 4.969 1.00 0.00 C ATOM 866 C MET A 59 -5.550 -3.481 4.714 1.00 0.00 C ATOM 867 O MET A 59 -4.786 -3.797 5.627 1.00 0.00 O ATOM 868 CB MET A 59 -7.292 -1.895 5.510 1.00 0.00 C ATOM 869 CG MET A 59 -8.741 -1.639 5.889 1.00 0.00 C ATOM 870 SD MET A 59 -9.088 0.109 6.166 1.00 0.00 S ATOM 871 CE MET A 59 -8.625 0.275 7.887 1.00 0.00 C ATOM 0 H MET A 59 -6.873 -4.606 6.599 1.00 0.00 H new ATOM 0 HA MET A 59 -7.567 -3.439 4.025 1.00 0.00 H new ATOM 0 HB2 MET A 59 -6.662 -1.734 6.385 1.00 0.00 H new ATOM 0 HB3 MET A 59 -6.987 -1.166 4.759 1.00 0.00 H new ATOM 0 HG2 MET A 59 -9.391 -2.014 5.098 1.00 0.00 H new ATOM 0 HG3 MET A 59 -8.981 -2.201 6.792 1.00 0.00 H new ATOM 0 HE1 MET A 59 -8.457 1.327 8.119 1.00 0.00 H new ATOM 0 HE2 MET A 59 -9.425 -0.112 8.518 1.00 0.00 H new ATOM 0 HE3 MET A 59 -7.711 -0.288 8.074 1.00 0.00 H new ATOM 881 N LEU A 60 -5.139 -3.250 3.472 1.00 0.00 N ATOM 882 CA LEU A 60 -3.735 -3.360 3.093 1.00 0.00 C ATOM 883 C LEU A 60 -3.238 -2.035 2.521 1.00 0.00 C ATOM 884 O LEU A 60 -3.987 -1.314 1.864 1.00 0.00 O ATOM 885 CB LEU A 60 -3.529 -4.478 2.069 1.00 0.00 C ATOM 886 CG LEU A 60 -4.102 -5.845 2.455 1.00 0.00 C ATOM 887 CD1 LEU A 60 -3.635 -6.901 1.472 1.00 0.00 C ATOM 888 CD2 LEU A 60 -3.688 -6.236 3.864 1.00 0.00 C ATOM 0 H LEU A 60 -5.761 -2.984 2.708 1.00 0.00 H new ATOM 0 HA LEU A 60 -3.162 -3.603 3.988 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -3.979 -4.169 1.125 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -2.460 -4.590 1.891 1.00 0.00 H new ATOM 0 HG LEU A 60 -5.189 -5.775 2.424 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -4.048 -7.869 1.755 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -3.975 -6.641 0.470 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -2.546 -6.953 1.484 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -4.110 -7.211 4.110 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -2.601 -6.286 3.923 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -4.056 -5.493 4.571 1.00 0.00 H new ATOM 900 N ARG A 61 -1.977 -1.714 2.787 1.00 0.00 N ATOM 901 CA ARG A 61 -1.391 -0.467 2.307 1.00 0.00 C ATOM 902 C ARG A 61 0.048 -0.666 1.839 1.00 0.00 C ATOM 903 O ARG A 61 0.765 -1.525 2.348 1.00 0.00 O ATOM 904 CB ARG A 61 -1.419 0.579 3.422 1.00 0.00 C ATOM 905 CG ARG A 61 -1.115 1.991 2.948 1.00 0.00 C ATOM 906 CD ARG A 61 -0.366 2.784 4.008 1.00 0.00 C ATOM 907 NE ARG A 61 -1.242 3.200 5.101 1.00 0.00 N ATOM 908 CZ ARG A 61 -2.062 4.246 5.037 1.00 0.00 C ATOM 909 NH1 ARG A 61 -2.124 4.983 3.935 1.00 0.00 N ATOM 910 NH2 ARG A 61 -2.824 4.555 6.078 1.00 0.00 N ATOM 0 H ARG A 61 -1.342 -2.298 3.331 1.00 0.00 H new ATOM 0 HA ARG A 61 -1.982 -0.127 1.457 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -2.402 0.568 3.893 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -0.695 0.299 4.188 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -0.521 1.950 2.035 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -2.046 2.501 2.700 1.00 0.00 H new ATOM 0 HD2 ARG A 61 0.448 2.178 4.406 1.00 0.00 H new ATOM 0 HD3 ARG A 61 0.086 3.664 3.551 1.00 0.00 H new ATOM 0 HE ARG A 61 -1.224 2.657 5.964 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -1.541 4.749 3.131 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -2.754 5.784 3.892 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -2.781 3.991 6.927 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -3.453 5.357 6.030 1.00 0.00 H new ATOM 924 N LEU A 62 0.466 0.153 0.878 1.00 0.00 N ATOM 925 CA LEU A 62 1.827 0.093 0.353 1.00 0.00 C ATOM 926 C LEU A 62 2.461 1.479 0.391 1.00 0.00 C ATOM 927 O LEU A 62 1.981 2.407 -0.258 1.00 0.00 O ATOM 928 CB LEU A 62 1.835 -0.442 -1.081 1.00 0.00 C ATOM 929 CG LEU A 62 1.245 -1.842 -1.258 1.00 0.00 C ATOM 930 CD1 LEU A 62 -0.022 -1.770 -2.085 1.00 0.00 C ATOM 931 CD2 LEU A 62 2.254 -2.788 -1.901 1.00 0.00 C ATOM 0 H LEU A 62 -0.120 0.868 0.446 1.00 0.00 H new ATOM 0 HA LEU A 62 2.406 -0.587 0.978 1.00 0.00 H new ATOM 0 HB2 LEU A 62 1.280 0.251 -1.713 1.00 0.00 H new ATOM 0 HB3 LEU A 62 2.863 -0.450 -1.443 1.00 0.00 H new ATOM 0 HG LEU A 62 1.001 -2.238 -0.272 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -0.435 -2.771 -2.206 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -0.750 -1.136 -1.580 1.00 0.00 H new ATOM 0 HD13 LEU A 62 0.206 -1.351 -3.065 1.00 0.00 H new ATOM 0 HD21 LEU A 62 1.806 -3.775 -2.014 1.00 0.00 H new ATOM 0 HD22 LEU A 62 2.539 -2.405 -2.881 1.00 0.00 H new ATOM 0 HD23 LEU A 62 3.139 -2.861 -1.268 1.00 0.00 H new ATOM 943 N ILE A 63 3.537 1.618 1.156 1.00 0.00 N ATOM 944 CA ILE A 63 4.222 2.900 1.274 1.00 0.00 C ATOM 945 C ILE A 63 5.064 3.181 0.036 1.00 0.00 C ATOM 946 O ILE A 63 5.452 2.263 -0.677 1.00 0.00 O ATOM 947 CB ILE A 63 5.130 2.945 2.519 1.00 0.00 C ATOM 948 CG1 ILE A 63 4.388 2.401 3.742 1.00 0.00 C ATOM 949 CG2 ILE A 63 5.613 4.365 2.773 1.00 0.00 C ATOM 950 CD1 ILE A 63 3.141 3.183 4.091 1.00 0.00 C ATOM 0 H ILE A 63 3.953 0.863 1.702 1.00 0.00 H new ATOM 0 HA ILE A 63 3.451 3.664 1.373 1.00 0.00 H new ATOM 0 HB ILE A 63 6.000 2.314 2.337 1.00 0.00 H new ATOM 0 HG12 ILE A 63 4.116 1.362 3.559 1.00 0.00 H new ATOM 0 HG13 ILE A 63 5.062 2.407 4.598 1.00 0.00 H new ATOM 0 HG21 ILE A 63 6.253 4.379 3.655 1.00 0.00 H new ATOM 0 HG22 ILE A 63 6.178 4.717 1.910 1.00 0.00 H new ATOM 0 HG23 ILE A 63 4.755 5.017 2.936 1.00 0.00 H new ATOM 0 HD11 ILE A 63 2.667 2.741 4.967 1.00 0.00 H new ATOM 0 HD12 ILE A 63 3.409 4.217 4.307 1.00 0.00 H new ATOM 0 HD13 ILE A 63 2.447 3.155 3.251 1.00 0.00 H new ATOM 962 N GLY A 64 5.339 4.457 -0.214 1.00 0.00 N ATOM 963 CA GLY A 64 6.131 4.830 -1.372 1.00 0.00 C ATOM 964 C GLY A 64 7.417 5.538 -0.995 1.00 0.00 C ATOM 965 O GLY A 64 7.432 6.374 -0.092 1.00 0.00 O ATOM 0 H GLY A 64 5.028 5.238 0.363 1.00 0.00 H new ATOM 0 HA2 GLY A 64 6.368 3.936 -1.948 1.00 0.00 H new ATOM 0 HA3 GLY A 64 5.540 5.478 -2.018 1.00 0.00 H new ATOM 969 N LYS A 65 8.500 5.203 -1.690 1.00 0.00 N ATOM 970 CA LYS A 65 9.798 5.813 -1.425 1.00 0.00 C ATOM 971 C LYS A 65 9.736 7.324 -1.621 1.00 0.00 C ATOM 972 O LYS A 65 9.365 7.807 -2.690 1.00 0.00 O ATOM 973 CB LYS A 65 10.865 5.210 -2.341 1.00 0.00 C ATOM 974 CG LYS A 65 11.558 3.994 -1.749 1.00 0.00 C ATOM 975 CD LYS A 65 11.922 2.983 -2.823 1.00 0.00 C ATOM 976 CE LYS A 65 13.075 2.094 -2.384 1.00 0.00 C ATOM 977 NZ LYS A 65 13.417 1.076 -3.416 1.00 0.00 N ATOM 0 H LYS A 65 8.504 4.513 -2.441 1.00 0.00 H new ATOM 0 HA LYS A 65 10.064 5.609 -0.388 1.00 0.00 H new ATOM 0 HB2 LYS A 65 10.403 4.930 -3.288 1.00 0.00 H new ATOM 0 HB3 LYS A 65 11.613 5.971 -2.564 1.00 0.00 H new ATOM 0 HG2 LYS A 65 12.459 4.308 -1.223 1.00 0.00 H new ATOM 0 HG3 LYS A 65 10.906 3.525 -1.012 1.00 0.00 H new ATOM 0 HD2 LYS A 65 11.053 2.366 -3.053 1.00 0.00 H new ATOM 0 HD3 LYS A 65 12.193 3.506 -3.740 1.00 0.00 H new ATOM 0 HE2 LYS A 65 13.950 2.710 -2.178 1.00 0.00 H new ATOM 0 HE3 LYS A 65 12.812 1.592 -1.453 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 14.207 0.491 -3.078 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 12.590 0.471 -3.594 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 13.693 1.554 -4.297 1.00 0.00 H new ATOM 991 N VAL A 66 10.100 8.066 -0.580 1.00 0.00 N ATOM 992 CA VAL A 66 10.083 9.522 -0.637 1.00 0.00 C ATOM 993 C VAL A 66 11.484 10.084 -0.856 1.00 0.00 C ATOM 994 O VAL A 66 12.482 9.409 -0.602 1.00 0.00 O ATOM 995 CB VAL A 66 9.487 10.123 0.651 1.00 0.00 C ATOM 996 CG1 VAL A 66 10.386 9.845 1.847 1.00 0.00 C ATOM 997 CG2 VAL A 66 9.253 11.617 0.487 1.00 0.00 C ATOM 0 H VAL A 66 10.410 7.682 0.313 1.00 0.00 H new ATOM 0 HA VAL A 66 9.454 9.800 -1.483 1.00 0.00 H new ATOM 0 HB VAL A 66 8.525 9.645 0.835 1.00 0.00 H new ATOM 0 HG11 VAL A 66 9.944 10.279 2.744 1.00 0.00 H new ATOM 0 HG12 VAL A 66 10.492 8.768 1.980 1.00 0.00 H new ATOM 0 HG13 VAL A 66 11.367 10.288 1.676 1.00 0.00 H new ATOM 0 HG21 VAL A 66 8.832 12.022 1.407 1.00 0.00 H new ATOM 0 HG22 VAL A 66 10.200 12.112 0.272 1.00 0.00 H new ATOM 0 HG23 VAL A 66 8.559 11.788 -0.336 1.00 0.00 H new ATOM 1007 N ASP A 67 11.551 11.325 -1.328 1.00 0.00 N ATOM 1008 CA ASP A 67 12.828 11.980 -1.580 1.00 0.00 C ATOM 1009 C ASP A 67 13.210 12.890 -0.415 1.00 0.00 C ATOM 1010 O ASP A 67 13.586 14.046 -0.613 1.00 0.00 O ATOM 1011 CB ASP A 67 12.764 12.787 -2.877 1.00 0.00 C ATOM 1012 CG ASP A 67 12.796 11.905 -4.109 1.00 0.00 C ATOM 1013 OD1 ASP A 67 11.739 11.342 -4.465 1.00 0.00 O ATOM 1014 OD2 ASP A 67 13.878 11.776 -4.720 1.00 0.00 O ATOM 0 H ASP A 67 10.734 11.897 -1.544 1.00 0.00 H new ATOM 0 HA ASP A 67 13.592 11.209 -1.680 1.00 0.00 H new ATOM 0 HB2 ASP A 67 11.853 13.385 -2.885 1.00 0.00 H new ATOM 0 HB3 ASP A 67 13.602 13.483 -2.910 1.00 0.00 H new ATOM 1019 N GLU A 68 13.110 12.359 0.800 1.00 0.00 N ATOM 1020 CA GLU A 68 13.444 13.122 1.997 1.00 0.00 C ATOM 1021 C GLU A 68 14.895 13.595 1.965 1.00 0.00 C ATOM 1022 O GLU A 68 15.264 14.539 2.662 1.00 0.00 O ATOM 1023 CB GLU A 68 13.200 12.277 3.249 1.00 0.00 C ATOM 1024 CG GLU A 68 13.940 10.949 3.241 1.00 0.00 C ATOM 1025 CD GLU A 68 15.219 10.991 4.054 1.00 0.00 C ATOM 1026 OE1 GLU A 68 15.954 11.997 3.954 1.00 0.00 O ATOM 1027 OE2 GLU A 68 15.487 10.018 4.789 1.00 0.00 O ATOM 0 H GLU A 68 12.801 11.404 0.981 1.00 0.00 H new ATOM 0 HA GLU A 68 12.799 14.000 2.024 1.00 0.00 H new ATOM 0 HB2 GLU A 68 13.504 12.847 4.127 1.00 0.00 H new ATOM 0 HB3 GLU A 68 12.131 12.087 3.346 1.00 0.00 H new ATOM 0 HG2 GLU A 68 13.287 10.171 3.637 1.00 0.00 H new ATOM 0 HG3 GLU A 68 14.176 10.675 2.213 1.00 0.00 H new ATOM 1034 N SER A 69 15.711 12.936 1.151 1.00 0.00 N ATOM 1035 CA SER A 69 17.121 13.292 1.028 1.00 0.00 C ATOM 1036 C SER A 69 17.286 14.735 0.562 1.00 0.00 C ATOM 1037 O SER A 69 18.335 15.347 0.764 1.00 0.00 O ATOM 1038 CB SER A 69 17.825 12.345 0.056 1.00 0.00 C ATOM 1039 OG SER A 69 18.165 11.123 0.687 1.00 0.00 O ATOM 0 H SER A 69 15.421 12.152 0.566 1.00 0.00 H new ATOM 0 HA SER A 69 17.578 13.197 2.013 1.00 0.00 H new ATOM 0 HB2 SER A 69 17.177 12.148 -0.798 1.00 0.00 H new ATOM 0 HB3 SER A 69 18.726 12.821 -0.331 1.00 0.00 H new ATOM 0 HG SER A 69 18.612 10.535 0.043 1.00 0.00 H new ATOM 1045 N LYS A 70 16.245 15.273 -0.063 1.00 0.00 N ATOM 1046 CA LYS A 70 16.274 16.645 -0.557 1.00 0.00 C ATOM 1047 C LYS A 70 16.189 17.639 0.596 1.00 0.00 C ATOM 1048 O LYS A 70 17.146 18.360 0.879 1.00 0.00 O ATOM 1049 CB LYS A 70 15.125 16.881 -1.537 1.00 0.00 C ATOM 1050 CG LYS A 70 15.268 16.113 -2.840 1.00 0.00 C ATOM 1051 CD LYS A 70 16.398 16.666 -3.692 1.00 0.00 C ATOM 1052 CE LYS A 70 16.017 17.993 -4.330 1.00 0.00 C ATOM 1053 NZ LYS A 70 17.187 18.907 -4.451 1.00 0.00 N ATOM 0 H LYS A 70 15.370 14.780 -0.240 1.00 0.00 H new ATOM 0 HA LYS A 70 17.220 16.799 -1.076 1.00 0.00 H new ATOM 0 HB2 LYS A 70 14.187 16.597 -1.059 1.00 0.00 H new ATOM 0 HB3 LYS A 70 15.061 17.946 -1.758 1.00 0.00 H new ATOM 0 HG2 LYS A 70 15.455 15.061 -2.625 1.00 0.00 H new ATOM 0 HG3 LYS A 70 14.333 16.163 -3.397 1.00 0.00 H new ATOM 0 HD2 LYS A 70 17.288 16.799 -3.076 1.00 0.00 H new ATOM 0 HD3 LYS A 70 16.654 15.947 -4.470 1.00 0.00 H new ATOM 0 HE2 LYS A 70 15.594 17.813 -5.318 1.00 0.00 H new ATOM 0 HE3 LYS A 70 15.241 18.473 -3.734 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 16.886 19.800 -4.890 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 17.576 19.100 -3.506 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 17.917 18.460 -5.041 1.00 0.00 H new ATOM 1067 N LYS A 71 15.037 17.674 1.258 1.00 0.00 N ATOM 1068 CA LYS A 71 14.826 18.581 2.379 1.00 0.00 C ATOM 1069 C LYS A 71 14.938 20.033 1.928 1.00 0.00 C ATOM 1070 O LYS A 71 16.032 20.592 1.866 1.00 0.00 O ATOM 1071 CB LYS A 71 15.839 18.301 3.490 1.00 0.00 C ATOM 1072 CG LYS A 71 15.809 16.868 3.996 1.00 0.00 C ATOM 1073 CD LYS A 71 16.186 16.787 5.466 1.00 0.00 C ATOM 1074 CE LYS A 71 17.045 15.567 5.753 1.00 0.00 C ATOM 1075 NZ LYS A 71 16.503 14.339 5.109 1.00 0.00 N ATOM 0 H LYS A 71 14.235 17.084 1.037 1.00 0.00 H new ATOM 0 HA LYS A 71 13.821 18.413 2.766 1.00 0.00 H new ATOM 0 HB2 LYS A 71 16.840 18.526 3.122 1.00 0.00 H new ATOM 0 HB3 LYS A 71 15.646 18.976 4.324 1.00 0.00 H new ATOM 0 HG2 LYS A 71 14.812 16.451 3.852 1.00 0.00 H new ATOM 0 HG3 LYS A 71 16.497 16.260 3.409 1.00 0.00 H new ATOM 0 HD2 LYS A 71 16.725 17.689 5.755 1.00 0.00 H new ATOM 0 HD3 LYS A 71 15.282 16.748 6.073 1.00 0.00 H new ATOM 0 HE2 LYS A 71 18.059 15.746 5.396 1.00 0.00 H new ATOM 0 HE3 LYS A 71 17.108 15.414 6.830 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 17.154 13.545 5.273 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 15.573 14.115 5.517 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 16.403 14.499 4.086 1.00 0.00 H new ATOM 1089 N ARG A 72 13.798 20.637 1.613 1.00 0.00 N ATOM 1090 CA ARG A 72 13.767 22.024 1.165 1.00 0.00 C ATOM 1091 C ARG A 72 13.402 22.957 2.314 1.00 0.00 C ATOM 1092 O ARG A 72 13.005 22.510 3.390 1.00 0.00 O ATOM 1093 CB ARG A 72 12.767 22.189 0.020 1.00 0.00 C ATOM 1094 CG ARG A 72 13.410 22.160 -1.358 1.00 0.00 C ATOM 1095 CD ARG A 72 13.634 23.562 -1.901 1.00 0.00 C ATOM 1096 NE ARG A 72 13.187 23.691 -3.286 1.00 0.00 N ATOM 1097 CZ ARG A 72 11.911 23.803 -3.645 1.00 0.00 C ATOM 1098 NH1 ARG A 72 10.953 23.803 -2.727 1.00 0.00 N ATOM 1099 NH2 ARG A 72 11.590 23.916 -4.927 1.00 0.00 N ATOM 0 H ARG A 72 12.883 20.188 1.660 1.00 0.00 H new ATOM 0 HA ARG A 72 14.763 22.288 0.809 1.00 0.00 H new ATOM 0 HB2 ARG A 72 12.023 21.395 0.081 1.00 0.00 H new ATOM 0 HB3 ARG A 72 12.237 23.133 0.145 1.00 0.00 H new ATOM 0 HG2 ARG A 72 14.363 21.634 -1.304 1.00 0.00 H new ATOM 0 HG3 ARG A 72 12.775 21.600 -2.045 1.00 0.00 H new ATOM 0 HD2 ARG A 72 13.100 24.281 -1.279 1.00 0.00 H new ATOM 0 HD3 ARG A 72 14.693 23.810 -1.837 1.00 0.00 H new ATOM 0 HE ARG A 72 13.895 23.695 -4.021 1.00 0.00 H new ATOM 0 HH11 ARG A 72 11.193 23.717 -1.739 1.00 0.00 H new ATOM 0 HH12 ARG A 72 9.977 23.889 -3.009 1.00 0.00 H new ATOM 0 HH21 ARG A 72 12.322 23.917 -5.638 1.00 0.00 H new ATOM 0 HH22 ARG A 72 10.612 24.002 -5.202 1.00 0.00 H new ATOM 1113 N LYS A 73 13.537 24.258 2.078 1.00 0.00 N ATOM 1114 CA LYS A 73 13.220 25.256 3.091 1.00 0.00 C ATOM 1115 C LYS A 73 12.366 26.373 2.500 1.00 0.00 C ATOM 1116 O LYS A 73 11.833 26.241 1.398 1.00 0.00 O ATOM 1117 CB LYS A 73 14.503 25.838 3.689 1.00 0.00 C ATOM 1118 CG LYS A 73 15.578 24.796 3.959 1.00 0.00 C ATOM 1119 CD LYS A 73 16.188 24.966 5.341 1.00 0.00 C ATOM 1120 CE LYS A 73 17.335 23.997 5.567 1.00 0.00 C ATOM 1121 NZ LYS A 73 18.101 24.320 6.802 1.00 0.00 N ATOM 0 H LYS A 73 13.864 24.645 1.193 1.00 0.00 H new ATOM 0 HA LYS A 73 12.653 24.767 3.883 1.00 0.00 H new ATOM 0 HB2 LYS A 73 14.902 26.591 3.009 1.00 0.00 H new ATOM 0 HB3 LYS A 73 14.260 26.347 4.622 1.00 0.00 H new ATOM 0 HG2 LYS A 73 15.149 23.798 3.871 1.00 0.00 H new ATOM 0 HG3 LYS A 73 16.360 24.875 3.203 1.00 0.00 H new ATOM 0 HD2 LYS A 73 16.546 25.989 5.458 1.00 0.00 H new ATOM 0 HD3 LYS A 73 15.422 24.808 6.100 1.00 0.00 H new ATOM 0 HE2 LYS A 73 16.944 22.982 5.638 1.00 0.00 H new ATOM 0 HE3 LYS A 73 18.005 24.021 4.708 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 18.875 23.635 6.920 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 18.496 25.279 6.725 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 17.468 24.272 7.626 1.00 0.00 H new ATOM 1135 N ASP A 74 12.238 27.471 3.236 1.00 0.00 N ATOM 1136 CA ASP A 74 11.449 28.608 2.781 1.00 0.00 C ATOM 1137 C ASP A 74 12.156 29.924 3.093 1.00 0.00 C ATOM 1138 O ASP A 74 13.320 29.934 3.492 1.00 0.00 O ATOM 1139 CB ASP A 74 10.065 28.587 3.431 1.00 0.00 C ATOM 1140 CG ASP A 74 8.969 29.013 2.475 1.00 0.00 C ATOM 1141 OD1 ASP A 74 9.151 28.845 1.250 1.00 0.00 O ATOM 1142 OD2 ASP A 74 7.928 29.513 2.949 1.00 0.00 O ATOM 0 H ASP A 74 12.671 27.597 4.151 1.00 0.00 H new ATOM 0 HA ASP A 74 11.334 28.530 1.700 1.00 0.00 H new ATOM 0 HB2 ASP A 74 9.854 27.582 3.796 1.00 0.00 H new ATOM 0 HB3 ASP A 74 10.064 29.248 4.298 1.00 0.00 H new ATOM 1147 N ASN A 75 11.445 31.031 2.909 1.00 0.00 N ATOM 1148 CA ASN A 75 12.004 32.353 3.170 1.00 0.00 C ATOM 1149 C ASN A 75 12.462 32.485 4.620 1.00 0.00 C ATOM 1150 O ASN A 75 13.289 33.339 4.943 1.00 0.00 O ATOM 1151 CB ASN A 75 10.974 33.437 2.847 1.00 0.00 C ATOM 1152 CG ASN A 75 11.623 34.747 2.444 1.00 0.00 C ATOM 1153 OD1 ASN A 75 12.592 35.190 3.059 1.00 0.00 O ATOM 1154 ND2 ASN A 75 11.087 35.376 1.403 1.00 0.00 N ATOM 0 H ASN A 75 10.480 31.039 2.580 1.00 0.00 H new ATOM 0 HA ASN A 75 12.874 32.481 2.526 1.00 0.00 H new ATOM 0 HB2 ASN A 75 10.327 33.092 2.041 1.00 0.00 H new ATOM 0 HB3 ASN A 75 10.338 33.602 3.717 1.00 0.00 H new ATOM 0 HD21 ASN A 75 11.479 36.262 1.085 1.00 0.00 H new ATOM 0 HD22 ASN A 75 10.283 34.972 0.922 1.00 0.00 H new ATOM 1161 N GLU A 76 11.921 31.639 5.489 1.00 0.00 N ATOM 1162 CA GLU A 76 12.276 31.666 6.903 1.00 0.00 C ATOM 1163 C GLU A 76 13.088 30.432 7.287 1.00 0.00 C ATOM 1164 O GLU A 76 13.041 29.978 8.430 1.00 0.00 O ATOM 1165 CB GLU A 76 11.015 31.749 7.765 1.00 0.00 C ATOM 1166 CG GLU A 76 10.238 33.043 7.583 1.00 0.00 C ATOM 1167 CD GLU A 76 8.756 32.876 7.859 1.00 0.00 C ATOM 1168 OE1 GLU A 76 8.405 32.066 8.741 1.00 0.00 O ATOM 1169 OE2 GLU A 76 7.948 33.554 7.191 1.00 0.00 O ATOM 0 H GLU A 76 11.235 30.926 5.240 1.00 0.00 H new ATOM 0 HA GLU A 76 12.889 32.550 7.080 1.00 0.00 H new ATOM 0 HB2 GLU A 76 10.365 30.908 7.525 1.00 0.00 H new ATOM 0 HB3 GLU A 76 11.294 31.647 8.814 1.00 0.00 H new ATOM 0 HG2 GLU A 76 10.645 33.804 8.249 1.00 0.00 H new ATOM 0 HG3 GLU A 76 10.376 33.405 6.564 1.00 0.00 H new ATOM 1176 N GLY A 77 13.832 29.894 6.326 1.00 0.00 N ATOM 1177 CA GLY A 77 14.643 28.717 6.585 1.00 0.00 C ATOM 1178 C GLY A 77 13.837 27.567 7.154 1.00 0.00 C ATOM 1179 O GLY A 77 14.373 26.712 7.859 1.00 0.00 O ATOM 0 H GLY A 77 13.888 30.252 5.372 1.00 0.00 H new ATOM 0 HA2 GLY A 77 15.120 28.398 5.658 1.00 0.00 H new ATOM 0 HA3 GLY A 77 15.441 28.976 7.281 1.00 0.00 H new ATOM 1183 N ASN A 78 12.543 27.546 6.850 1.00 0.00 N ATOM 1184 CA ASN A 78 11.659 26.493 7.336 1.00 0.00 C ATOM 1185 C ASN A 78 12.089 25.130 6.801 1.00 0.00 C ATOM 1186 O ASN A 78 13.208 24.969 6.311 1.00 0.00 O ATOM 1187 CB ASN A 78 10.213 26.790 6.931 1.00 0.00 C ATOM 1188 CG ASN A 78 9.803 28.213 7.252 1.00 0.00 C ATOM 1189 OD1 ASN A 78 9.365 28.958 6.375 1.00 0.00 O ATOM 1190 ND2 ASN A 78 9.942 28.597 8.515 1.00 0.00 N ATOM 0 H ASN A 78 12.083 28.247 6.269 1.00 0.00 H new ATOM 0 HA ASN A 78 11.724 26.467 8.424 1.00 0.00 H new ATOM 0 HB2 ASN A 78 10.095 26.613 5.862 1.00 0.00 H new ATOM 0 HB3 ASN A 78 9.545 26.098 7.444 1.00 0.00 H new ATOM 0 HD21 ASN A 78 9.681 29.543 8.792 1.00 0.00 H new ATOM 0 HD22 ASN A 78 10.309 27.946 9.209 1.00 0.00 H new ATOM 1197 N GLU A 79 11.196 24.150 6.896 1.00 0.00 N ATOM 1198 CA GLU A 79 11.482 22.802 6.421 1.00 0.00 C ATOM 1199 C GLU A 79 10.318 22.267 5.593 1.00 0.00 C ATOM 1200 O GLU A 79 9.215 22.077 6.105 1.00 0.00 O ATOM 1201 CB GLU A 79 11.757 21.868 7.601 1.00 0.00 C ATOM 1202 CG GLU A 79 12.508 20.604 7.215 1.00 0.00 C ATOM 1203 CD GLU A 79 12.464 19.547 8.301 1.00 0.00 C ATOM 1204 OE1 GLU A 79 11.348 19.165 8.713 1.00 0.00 O ATOM 1205 OE2 GLU A 79 13.546 19.101 8.739 1.00 0.00 O ATOM 0 H GLU A 79 10.266 24.265 7.299 1.00 0.00 H new ATOM 0 HA GLU A 79 12.370 22.843 5.790 1.00 0.00 H new ATOM 0 HB2 GLU A 79 12.333 22.407 8.354 1.00 0.00 H new ATOM 0 HB3 GLU A 79 10.809 21.591 8.063 1.00 0.00 H new ATOM 0 HG2 GLU A 79 12.080 20.197 6.299 1.00 0.00 H new ATOM 0 HG3 GLU A 79 13.546 20.854 6.998 1.00 0.00 H new ATOM 1212 N VAL A 80 10.572 22.033 4.312 1.00 0.00 N ATOM 1213 CA VAL A 80 9.545 21.528 3.412 1.00 0.00 C ATOM 1214 C VAL A 80 9.476 20.007 3.439 1.00 0.00 C ATOM 1215 O VAL A 80 8.449 19.433 3.799 1.00 0.00 O ATOM 1216 CB VAL A 80 9.800 21.996 1.977 1.00 0.00 C ATOM 1217 CG1 VAL A 80 8.769 21.412 1.021 1.00 0.00 C ATOM 1218 CG2 VAL A 80 9.812 23.516 1.912 1.00 0.00 C ATOM 0 H VAL A 80 11.480 22.185 3.874 1.00 0.00 H new ATOM 0 HA VAL A 80 8.592 21.927 3.760 1.00 0.00 H new ATOM 0 HB VAL A 80 10.779 21.633 1.664 1.00 0.00 H new ATOM 0 HG11 VAL A 80 8.973 21.760 0.009 1.00 0.00 H new ATOM 0 HG12 VAL A 80 8.823 20.324 1.048 1.00 0.00 H new ATOM 0 HG13 VAL A 80 7.772 21.733 1.321 1.00 0.00 H new ATOM 0 HG21 VAL A 80 9.994 23.835 0.886 1.00 0.00 H new ATOM 0 HG22 VAL A 80 8.849 23.902 2.246 1.00 0.00 H new ATOM 0 HG23 VAL A 80 10.601 23.902 2.557 1.00 0.00 H new ATOM 1228 N VAL A 81 10.579 19.366 3.061 1.00 0.00 N ATOM 1229 CA VAL A 81 10.670 17.913 3.035 1.00 0.00 C ATOM 1230 C VAL A 81 9.377 17.287 2.492 1.00 0.00 C ATOM 1231 O VAL A 81 8.404 17.101 3.224 1.00 0.00 O ATOM 1232 CB VAL A 81 11.009 17.392 4.450 1.00 0.00 C ATOM 1233 CG1 VAL A 81 10.208 16.152 4.834 1.00 0.00 C ATOM 1234 CG2 VAL A 81 12.502 17.117 4.564 1.00 0.00 C ATOM 0 H VAL A 81 11.432 19.840 2.765 1.00 0.00 H new ATOM 0 HA VAL A 81 11.471 17.617 2.357 1.00 0.00 H new ATOM 0 HB VAL A 81 10.727 18.176 5.153 1.00 0.00 H new ATOM 0 HG11 VAL A 81 10.490 15.833 5.838 1.00 0.00 H new ATOM 0 HG12 VAL A 81 9.144 16.386 4.813 1.00 0.00 H new ATOM 0 HG13 VAL A 81 10.418 15.350 4.126 1.00 0.00 H new ATOM 0 HG21 VAL A 81 12.729 16.750 5.565 1.00 0.00 H new ATOM 0 HG22 VAL A 81 12.791 16.366 3.828 1.00 0.00 H new ATOM 0 HG23 VAL A 81 13.057 18.037 4.380 1.00 0.00 H new ATOM 1244 N PRO A 82 9.344 16.968 1.185 1.00 0.00 N ATOM 1245 CA PRO A 82 8.165 16.380 0.546 1.00 0.00 C ATOM 1246 C PRO A 82 7.654 15.150 1.289 1.00 0.00 C ATOM 1247 O PRO A 82 8.437 14.320 1.750 1.00 0.00 O ATOM 1248 CB PRO A 82 8.647 15.998 -0.860 1.00 0.00 C ATOM 1249 CG PRO A 82 10.131 16.143 -0.832 1.00 0.00 C ATOM 1250 CD PRO A 82 10.436 17.164 0.224 1.00 0.00 C ATOM 0 HA PRO A 82 7.328 17.078 0.538 1.00 0.00 H new ATOM 0 HB2 PRO A 82 8.358 14.977 -1.109 1.00 0.00 H new ATOM 0 HB3 PRO A 82 8.204 16.647 -1.615 1.00 0.00 H new ATOM 0 HG2 PRO A 82 10.610 15.191 -0.602 1.00 0.00 H new ATOM 0 HG3 PRO A 82 10.508 16.464 -1.803 1.00 0.00 H new ATOM 0 HD2 PRO A 82 11.412 16.996 0.680 1.00 0.00 H new ATOM 0 HD3 PRO A 82 10.443 18.176 -0.181 1.00 0.00 H new ATOM 1258 N LYS A 83 6.334 15.041 1.403 1.00 0.00 N ATOM 1259 CA LYS A 83 5.716 13.913 2.091 1.00 0.00 C ATOM 1260 C LYS A 83 5.902 12.623 1.299 1.00 0.00 C ATOM 1261 O LYS A 83 6.108 12.649 0.085 1.00 0.00 O ATOM 1262 CB LYS A 83 4.228 14.177 2.319 1.00 0.00 C ATOM 1263 CG LYS A 83 3.953 15.380 3.207 1.00 0.00 C ATOM 1264 CD LYS A 83 3.904 14.989 4.675 1.00 0.00 C ATOM 1265 CE LYS A 83 2.474 14.811 5.158 1.00 0.00 C ATOM 1266 NZ LYS A 83 1.676 16.059 5.000 1.00 0.00 N ATOM 0 H LYS A 83 5.672 15.720 1.028 1.00 0.00 H new ATOM 0 HA LYS A 83 6.207 13.798 3.057 1.00 0.00 H new ATOM 0 HB2 LYS A 83 3.742 14.329 1.355 1.00 0.00 H new ATOM 0 HB3 LYS A 83 3.775 13.293 2.768 1.00 0.00 H new ATOM 0 HG2 LYS A 83 4.729 16.131 3.055 1.00 0.00 H new ATOM 0 HG3 LYS A 83 3.006 15.837 2.919 1.00 0.00 H new ATOM 0 HD2 LYS A 83 4.457 14.062 4.824 1.00 0.00 H new ATOM 0 HD3 LYS A 83 4.398 15.755 5.273 1.00 0.00 H new ATOM 0 HE2 LYS A 83 2.000 14.004 4.600 1.00 0.00 H new ATOM 0 HE3 LYS A 83 2.479 14.513 6.207 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 0.935 16.092 5.729 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 2.299 16.885 5.102 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 1.236 16.073 4.058 1.00 0.00 H new ATOM 1280 N PRO A 84 5.847 11.474 1.988 1.00 0.00 N ATOM 1281 CA PRO A 84 6.023 10.160 1.379 1.00 0.00 C ATOM 1282 C PRO A 84 4.725 9.610 0.795 1.00 0.00 C ATOM 1283 O PRO A 84 3.633 9.958 1.244 1.00 0.00 O ATOM 1284 CB PRO A 84 6.496 9.288 2.559 1.00 0.00 C ATOM 1285 CG PRO A 84 6.525 10.195 3.756 1.00 0.00 C ATOM 1286 CD PRO A 84 5.629 11.346 3.426 1.00 0.00 C ATOM 0 HA PRO A 84 6.719 10.187 0.541 1.00 0.00 H new ATOM 0 HB2 PRO A 84 5.819 8.449 2.721 1.00 0.00 H new ATOM 0 HB3 PRO A 84 7.483 8.868 2.363 1.00 0.00 H new ATOM 0 HG2 PRO A 84 6.178 9.674 4.648 1.00 0.00 H new ATOM 0 HG3 PRO A 84 7.539 10.537 3.961 1.00 0.00 H new ATOM 0 HD2 PRO A 84 4.587 11.138 3.667 1.00 0.00 H new ATOM 0 HD3 PRO A 84 5.906 12.251 3.966 1.00 0.00 H new ATOM 1294 N GLN A 85 4.854 8.747 -0.208 1.00 0.00 N ATOM 1295 CA GLN A 85 3.692 8.147 -0.853 1.00 0.00 C ATOM 1296 C GLN A 85 3.164 6.974 -0.033 1.00 0.00 C ATOM 1297 O GLN A 85 3.898 6.372 0.748 1.00 0.00 O ATOM 1298 CB GLN A 85 4.053 7.677 -2.265 1.00 0.00 C ATOM 1299 CG GLN A 85 3.821 8.733 -3.333 1.00 0.00 C ATOM 1300 CD GLN A 85 5.105 9.174 -4.008 1.00 0.00 C ATOM 1301 OE1 GLN A 85 5.882 9.946 -3.445 1.00 0.00 O ATOM 1302 NE2 GLN A 85 5.335 8.685 -5.221 1.00 0.00 N ATOM 0 H GLN A 85 5.751 8.448 -0.591 1.00 0.00 H new ATOM 0 HA GLN A 85 2.910 8.904 -0.919 1.00 0.00 H new ATOM 0 HB2 GLN A 85 5.101 7.378 -2.283 1.00 0.00 H new ATOM 0 HB3 GLN A 85 3.464 6.792 -2.506 1.00 0.00 H new ATOM 0 HG2 GLN A 85 3.137 8.340 -4.085 1.00 0.00 H new ATOM 0 HG3 GLN A 85 3.336 9.599 -2.883 1.00 0.00 H new ATOM 0 HE21 GLN A 85 4.664 8.048 -5.650 1.00 0.00 H new ATOM 0 HE22 GLN A 85 6.183 8.946 -5.724 1.00 0.00 H new ATOM 1311 N ARG A 86 1.885 6.659 -0.215 1.00 0.00 N ATOM 1312 CA ARG A 86 1.257 5.561 0.513 1.00 0.00 C ATOM 1313 C ARG A 86 -0.055 5.152 -0.149 1.00 0.00 C ATOM 1314 O ARG A 86 -0.983 5.955 -0.246 1.00 0.00 O ATOM 1315 CB ARG A 86 0.987 5.972 1.963 1.00 0.00 C ATOM 1316 CG ARG A 86 2.187 5.810 2.883 1.00 0.00 C ATOM 1317 CD ARG A 86 2.783 7.155 3.269 1.00 0.00 C ATOM 1318 NE ARG A 86 3.936 7.010 4.154 1.00 0.00 N ATOM 1319 CZ ARG A 86 3.843 6.780 5.461 1.00 0.00 C ATOM 1320 NH1 ARG A 86 2.654 6.670 6.040 1.00 0.00 N ATOM 1321 NH2 ARG A 86 4.943 6.661 6.193 1.00 0.00 N ATOM 0 H ARG A 86 1.264 7.148 -0.860 1.00 0.00 H new ATOM 0 HA ARG A 86 1.941 4.712 0.497 1.00 0.00 H new ATOM 0 HB2 ARG A 86 0.665 7.013 1.981 1.00 0.00 H new ATOM 0 HB3 ARG A 86 0.161 5.376 2.351 1.00 0.00 H new ATOM 0 HG2 ARG A 86 1.886 5.273 3.783 1.00 0.00 H new ATOM 0 HG3 ARG A 86 2.946 5.204 2.389 1.00 0.00 H new ATOM 0 HD2 ARG A 86 3.083 7.690 2.368 1.00 0.00 H new ATOM 0 HD3 ARG A 86 2.022 7.761 3.761 1.00 0.00 H new ATOM 0 HE ARG A 86 4.867 7.090 3.746 1.00 0.00 H new ATOM 0 HH11 ARG A 86 1.805 6.762 5.482 1.00 0.00 H new ATOM 0 HH12 ARG A 86 2.589 6.494 7.043 1.00 0.00 H new ATOM 0 HH21 ARG A 86 5.860 6.746 5.754 1.00 0.00 H new ATOM 0 HH22 ARG A 86 4.872 6.485 7.195 1.00 0.00 H new ATOM 1335 N HIS A 87 -0.139 3.899 -0.594 1.00 0.00 N ATOM 1336 CA HIS A 87 -1.353 3.409 -1.229 1.00 0.00 C ATOM 1337 C HIS A 87 -2.238 2.726 -0.197 1.00 0.00 C ATOM 1338 O HIS A 87 -1.892 1.668 0.325 1.00 0.00 O ATOM 1339 CB HIS A 87 -1.006 2.439 -2.358 1.00 0.00 C ATOM 1340 CG HIS A 87 0.086 2.938 -3.252 1.00 0.00 C ATOM 1341 ND1 HIS A 87 -0.146 3.746 -4.346 1.00 0.00 N ATOM 1342 CD2 HIS A 87 1.425 2.748 -3.204 1.00 0.00 C ATOM 1343 CE1 HIS A 87 1.003 4.030 -4.931 1.00 0.00 C ATOM 1344 NE2 HIS A 87 1.972 3.437 -4.258 1.00 0.00 N ATOM 0 H HIS A 87 0.613 3.214 -0.526 1.00 0.00 H new ATOM 0 HA HIS A 87 -1.895 4.253 -1.654 1.00 0.00 H new ATOM 0 HB2 HIS A 87 -0.706 1.484 -1.928 1.00 0.00 H new ATOM 0 HB3 HIS A 87 -1.899 2.253 -2.955 1.00 0.00 H new ATOM 0 HD2 HIS A 87 1.963 2.163 -2.473 1.00 0.00 H new ATOM 0 HE1 HIS A 87 1.129 4.643 -5.811 1.00 0.00 H new ATOM 0 HE2 HIS A 87 2.965 3.483 -4.484 1.00 0.00 H new ATOM 1353 N MET A 88 -3.375 3.342 0.105 1.00 0.00 N ATOM 1354 CA MET A 88 -4.298 2.794 1.090 1.00 0.00 C ATOM 1355 C MET A 88 -5.374 1.947 0.426 1.00 0.00 C ATOM 1356 O MET A 88 -6.243 2.463 -0.277 1.00 0.00 O ATOM 1357 CB MET A 88 -4.945 3.922 1.895 1.00 0.00 C ATOM 1358 CG MET A 88 -5.107 3.599 3.372 1.00 0.00 C ATOM 1359 SD MET A 88 -6.648 4.234 4.058 1.00 0.00 S ATOM 1360 CE MET A 88 -6.803 3.227 5.531 1.00 0.00 C ATOM 0 H MET A 88 -3.679 4.219 -0.317 1.00 0.00 H new ATOM 0 HA MET A 88 -3.728 2.154 1.763 1.00 0.00 H new ATOM 0 HB2 MET A 88 -4.341 4.823 1.793 1.00 0.00 H new ATOM 0 HB3 MET A 88 -5.924 4.145 1.471 1.00 0.00 H new ATOM 0 HG2 MET A 88 -5.071 2.518 3.509 1.00 0.00 H new ATOM 0 HG3 MET A 88 -4.267 4.019 3.926 1.00 0.00 H new ATOM 0 HE1 MET A 88 -7.583 3.638 6.172 1.00 0.00 H new ATOM 0 HE2 MET A 88 -7.065 2.207 5.249 1.00 0.00 H new ATOM 0 HE3 MET A 88 -5.856 3.223 6.070 1.00 0.00 H new ATOM 1370 N PHE A 89 -5.311 0.641 0.659 1.00 0.00 N ATOM 1371 CA PHE A 89 -6.281 -0.283 0.090 1.00 0.00 C ATOM 1372 C PHE A 89 -7.107 -0.937 1.192 1.00 0.00 C ATOM 1373 O PHE A 89 -6.575 -1.665 2.030 1.00 0.00 O ATOM 1374 CB PHE A 89 -5.570 -1.354 -0.739 1.00 0.00 C ATOM 1375 CG PHE A 89 -4.791 -0.799 -1.898 1.00 0.00 C ATOM 1376 CD1 PHE A 89 -5.427 -0.470 -3.084 1.00 0.00 C ATOM 1377 CD2 PHE A 89 -3.421 -0.612 -1.803 1.00 0.00 C ATOM 1378 CE1 PHE A 89 -4.711 0.035 -4.153 1.00 0.00 C ATOM 1379 CE2 PHE A 89 -2.701 -0.106 -2.869 1.00 0.00 C ATOM 1380 CZ PHE A 89 -3.346 0.218 -4.045 1.00 0.00 C ATOM 0 H PHE A 89 -4.597 0.199 1.239 1.00 0.00 H new ATOM 0 HA PHE A 89 -6.951 0.279 -0.560 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -4.894 -1.913 -0.092 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -6.309 -2.061 -1.114 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -6.494 -0.610 -3.174 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -2.910 -0.865 -0.886 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -5.219 0.286 -5.073 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -1.634 0.036 -2.781 1.00 0.00 H new ATOM 0 HZ PHE A 89 -2.785 0.614 -4.879 1.00 0.00 H new ATOM 1390 N SER A 90 -8.410 -0.677 1.185 1.00 0.00 N ATOM 1391 CA SER A 90 -9.307 -1.245 2.185 1.00 0.00 C ATOM 1392 C SER A 90 -10.075 -2.425 1.608 1.00 0.00 C ATOM 1393 O SER A 90 -10.885 -2.265 0.695 1.00 0.00 O ATOM 1394 CB SER A 90 -10.287 -0.182 2.687 1.00 0.00 C ATOM 1395 OG SER A 90 -9.722 1.115 2.604 1.00 0.00 O ATOM 0 H SER A 90 -8.868 -0.077 0.499 1.00 0.00 H new ATOM 0 HA SER A 90 -8.704 -1.596 3.023 1.00 0.00 H new ATOM 0 HB2 SER A 90 -11.203 -0.221 2.098 1.00 0.00 H new ATOM 0 HB3 SER A 90 -10.563 -0.396 3.720 1.00 0.00 H new ATOM 0 HG SER A 90 -10.369 1.775 2.929 1.00 0.00 H new ATOM 1401 N PHE A 91 -9.816 -3.610 2.142 1.00 0.00 N ATOM 1402 CA PHE A 91 -10.482 -4.817 1.673 1.00 0.00 C ATOM 1403 C PHE A 91 -11.712 -5.128 2.518 1.00 0.00 C ATOM 1404 O PHE A 91 -11.679 -5.025 3.744 1.00 0.00 O ATOM 1405 CB PHE A 91 -9.511 -5.997 1.700 1.00 0.00 C ATOM 1406 CG PHE A 91 -8.343 -5.829 0.770 1.00 0.00 C ATOM 1407 CD1 PHE A 91 -7.441 -4.792 0.947 1.00 0.00 C ATOM 1408 CD2 PHE A 91 -8.150 -6.706 -0.284 1.00 0.00 C ATOM 1409 CE1 PHE A 91 -6.368 -4.635 0.090 1.00 0.00 C ATOM 1410 CE2 PHE A 91 -7.081 -6.555 -1.143 1.00 0.00 C ATOM 1411 CZ PHE A 91 -6.188 -5.518 -0.957 1.00 0.00 C ATOM 0 H PHE A 91 -9.150 -3.762 2.900 1.00 0.00 H new ATOM 0 HA PHE A 91 -10.810 -4.648 0.647 1.00 0.00 H new ATOM 0 HB2 PHE A 91 -9.141 -6.130 2.716 1.00 0.00 H new ATOM 0 HB3 PHE A 91 -10.049 -6.907 1.435 1.00 0.00 H new ATOM 0 HD1 PHE A 91 -7.578 -4.099 1.764 1.00 0.00 H new ATOM 0 HD2 PHE A 91 -8.845 -7.519 -0.436 1.00 0.00 H new ATOM 0 HE1 PHE A 91 -5.671 -3.823 0.239 1.00 0.00 H new ATOM 0 HE2 PHE A 91 -6.943 -7.247 -1.960 1.00 0.00 H new ATOM 0 HZ PHE A 91 -5.351 -5.398 -1.629 1.00 0.00 H new ATOM 1421 N ASN A 92 -12.798 -5.512 1.851 1.00 0.00 N ATOM 1422 CA ASN A 92 -14.043 -5.843 2.537 1.00 0.00 C ATOM 1423 C ASN A 92 -14.129 -7.342 2.805 1.00 0.00 C ATOM 1424 O ASN A 92 -15.186 -7.954 2.648 1.00 0.00 O ATOM 1425 CB ASN A 92 -15.243 -5.389 1.705 1.00 0.00 C ATOM 1426 CG ASN A 92 -15.650 -3.960 2.006 1.00 0.00 C ATOM 1427 OD1 ASN A 92 -16.335 -3.692 2.992 1.00 0.00 O ATOM 1428 ND2 ASN A 92 -15.226 -3.033 1.154 1.00 0.00 N ATOM 0 H ASN A 92 -12.840 -5.601 0.836 1.00 0.00 H new ATOM 0 HA ASN A 92 -14.057 -5.319 3.493 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -15.002 -5.479 0.646 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -16.086 -6.052 1.898 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -15.467 -2.053 1.305 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -14.660 -3.301 0.349 1.00 0.00 H new ATOM 1435 N ASN A 93 -13.006 -7.927 3.207 1.00 0.00 N ATOM 1436 CA ASN A 93 -12.938 -9.355 3.496 1.00 0.00 C ATOM 1437 C ASN A 93 -11.520 -9.749 3.885 1.00 0.00 C ATOM 1438 O ASN A 93 -10.596 -9.664 3.076 1.00 0.00 O ATOM 1439 CB ASN A 93 -13.395 -10.168 2.281 1.00 0.00 C ATOM 1440 CG ASN A 93 -14.694 -10.907 2.533 1.00 0.00 C ATOM 1441 OD1 ASN A 93 -15.381 -10.662 3.525 1.00 0.00 O ATOM 1442 ND2 ASN A 93 -15.036 -11.820 1.631 1.00 0.00 N ATOM 0 H ASN A 93 -12.125 -7.431 3.341 1.00 0.00 H new ATOM 0 HA ASN A 93 -13.604 -9.570 4.332 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -13.520 -9.501 1.428 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -12.618 -10.885 2.015 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -15.899 -12.351 1.745 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -14.436 -11.990 0.824 1.00 0.00 H new ATOM 1449 N ARG A 94 -11.356 -10.187 5.128 1.00 0.00 N ATOM 1450 CA ARG A 94 -10.049 -10.601 5.622 1.00 0.00 C ATOM 1451 C ARG A 94 -9.478 -11.728 4.767 1.00 0.00 C ATOM 1452 O ARG A 94 -8.282 -12.008 4.816 1.00 0.00 O ATOM 1453 CB ARG A 94 -10.148 -11.046 7.083 1.00 0.00 C ATOM 1454 CG ARG A 94 -9.258 -10.248 8.023 1.00 0.00 C ATOM 1455 CD ARG A 94 -7.987 -11.008 8.365 1.00 0.00 C ATOM 1456 NE ARG A 94 -8.086 -11.689 9.654 1.00 0.00 N ATOM 1457 CZ ARG A 94 -7.289 -12.687 10.029 1.00 0.00 C ATOM 1458 NH1 ARG A 94 -6.333 -13.123 9.218 1.00 0.00 N ATOM 1459 NH2 ARG A 94 -7.448 -13.250 11.218 1.00 0.00 N ATOM 0 H ARG A 94 -12.110 -10.264 5.810 1.00 0.00 H new ATOM 0 HA ARG A 94 -9.376 -9.746 5.559 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -11.183 -10.956 7.412 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -9.882 -12.101 7.152 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -9.000 -9.295 7.561 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -9.805 -10.021 8.938 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -7.781 -11.739 7.584 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -7.145 -10.316 8.384 1.00 0.00 H new ATOM 0 HE ARG A 94 -8.809 -11.381 10.305 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -6.206 -12.693 8.302 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -5.725 -13.888 9.511 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -8.181 -12.919 11.845 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -6.838 -14.015 11.506 1.00 0.00 H new ATOM 1473 N THR A 95 -10.335 -12.369 3.977 1.00 0.00 N ATOM 1474 CA THR A 95 -9.899 -13.453 3.113 1.00 0.00 C ATOM 1475 C THR A 95 -9.104 -12.899 1.938 1.00 0.00 C ATOM 1476 O THR A 95 -8.037 -13.408 1.596 1.00 0.00 O ATOM 1477 CB THR A 95 -11.112 -14.248 2.630 1.00 0.00 C ATOM 1478 OG1 THR A 95 -11.263 -15.437 3.383 1.00 0.00 O ATOM 1479 CG2 THR A 95 -11.056 -14.635 1.169 1.00 0.00 C ATOM 0 H THR A 95 -11.331 -12.155 3.920 1.00 0.00 H new ATOM 0 HA THR A 95 -9.249 -14.124 3.674 1.00 0.00 H new ATOM 0 HB THR A 95 -11.958 -13.575 2.768 1.00 0.00 H new ATOM 0 HG1 THR A 95 -12.045 -15.931 3.060 1.00 0.00 H new ATOM 0 HG21 THR A 95 -11.953 -15.196 0.907 1.00 0.00 H new ATOM 0 HG22 THR A 95 -10.998 -13.735 0.556 1.00 0.00 H new ATOM 0 HG23 THR A 95 -10.176 -15.253 0.990 1.00 0.00 H new ATOM 1487 N VAL A 96 -9.629 -11.839 1.339 1.00 0.00 N ATOM 1488 CA VAL A 96 -8.963 -11.194 0.214 1.00 0.00 C ATOM 1489 C VAL A 96 -7.653 -10.591 0.682 1.00 0.00 C ATOM 1490 O VAL A 96 -6.601 -10.810 0.083 1.00 0.00 O ATOM 1491 CB VAL A 96 -9.823 -10.074 -0.414 1.00 0.00 C ATOM 1492 CG1 VAL A 96 -9.648 -10.039 -1.925 1.00 0.00 C ATOM 1493 CG2 VAL A 96 -11.287 -10.229 -0.039 1.00 0.00 C ATOM 0 H VAL A 96 -10.512 -11.408 1.612 1.00 0.00 H new ATOM 0 HA VAL A 96 -8.795 -11.959 -0.544 1.00 0.00 H new ATOM 0 HB VAL A 96 -9.477 -9.122 -0.011 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -10.263 -9.243 -2.344 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -8.601 -9.854 -2.166 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -9.954 -10.995 -2.349 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -11.866 -9.427 -0.496 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -11.654 -11.191 -0.397 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -11.392 -10.181 1.045 1.00 0.00 H new ATOM 1503 N MET A 97 -7.732 -9.833 1.768 1.00 0.00 N ATOM 1504 CA MET A 97 -6.554 -9.198 2.337 1.00 0.00 C ATOM 1505 C MET A 97 -5.552 -10.250 2.801 1.00 0.00 C ATOM 1506 O MET A 97 -4.342 -10.064 2.682 1.00 0.00 O ATOM 1507 CB MET A 97 -6.952 -8.281 3.496 1.00 0.00 C ATOM 1508 CG MET A 97 -7.144 -8.995 4.823 1.00 0.00 C ATOM 1509 SD MET A 97 -5.650 -9.008 5.828 1.00 0.00 S ATOM 1510 CE MET A 97 -6.136 -7.900 7.146 1.00 0.00 C ATOM 0 H MET A 97 -8.599 -9.644 2.271 1.00 0.00 H new ATOM 0 HA MET A 97 -6.079 -8.591 1.566 1.00 0.00 H new ATOM 0 HB2 MET A 97 -6.186 -7.515 3.617 1.00 0.00 H new ATOM 0 HB3 MET A 97 -7.878 -7.768 3.236 1.00 0.00 H new ATOM 0 HG2 MET A 97 -7.947 -8.510 5.379 1.00 0.00 H new ATOM 0 HG3 MET A 97 -7.460 -10.021 4.636 1.00 0.00 H new ATOM 0 HE1 MET A 97 -5.316 -7.800 7.858 1.00 0.00 H new ATOM 0 HE2 MET A 97 -6.377 -6.922 6.729 1.00 0.00 H new ATOM 0 HE3 MET A 97 -7.012 -8.302 7.655 1.00 0.00 H new ATOM 1520 N ASP A 98 -6.066 -11.360 3.324 1.00 0.00 N ATOM 1521 CA ASP A 98 -5.207 -12.443 3.794 1.00 0.00 C ATOM 1522 C ASP A 98 -4.548 -13.140 2.614 1.00 0.00 C ATOM 1523 O ASP A 98 -3.399 -13.576 2.694 1.00 0.00 O ATOM 1524 CB ASP A 98 -6.008 -13.450 4.624 1.00 0.00 C ATOM 1525 CG ASP A 98 -5.162 -14.616 5.099 1.00 0.00 C ATOM 1526 OD1 ASP A 98 -4.224 -14.385 5.890 1.00 0.00 O ATOM 1527 OD2 ASP A 98 -5.438 -15.759 4.680 1.00 0.00 O ATOM 0 H ASP A 98 -7.065 -11.533 3.433 1.00 0.00 H new ATOM 0 HA ASP A 98 -4.432 -12.015 4.430 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -6.439 -12.943 5.487 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -6.839 -13.827 4.028 1.00 0.00 H new ATOM 1532 N ASN A 99 -5.284 -13.230 1.517 1.00 0.00 N ATOM 1533 CA ASN A 99 -4.781 -13.860 0.304 1.00 0.00 C ATOM 1534 C ASN A 99 -3.916 -12.882 -0.486 1.00 0.00 C ATOM 1535 O ASN A 99 -3.020 -13.288 -1.223 1.00 0.00 O ATOM 1536 CB ASN A 99 -5.943 -14.350 -0.563 1.00 0.00 C ATOM 1537 CG ASN A 99 -6.579 -15.613 -0.015 1.00 0.00 C ATOM 1538 OD1 ASN A 99 -5.888 -16.570 0.335 1.00 0.00 O ATOM 1539 ND2 ASN A 99 -7.905 -15.622 0.061 1.00 0.00 N ATOM 0 H ASN A 99 -6.236 -12.873 1.441 1.00 0.00 H new ATOM 0 HA ASN A 99 -4.170 -14.716 0.590 1.00 0.00 H new ATOM 0 HB2 ASN A 99 -6.698 -13.566 -0.631 1.00 0.00 H new ATOM 0 HB3 ASN A 99 -5.584 -14.536 -1.575 1.00 0.00 H new ATOM 0 HD21 ASN A 99 -8.390 -16.444 0.421 1.00 0.00 H new ATOM 0 HD22 ASN A 99 -8.439 -14.807 -0.240 1.00 0.00 H new ATOM 1546 N ILE A 100 -4.200 -11.593 -0.323 1.00 0.00 N ATOM 1547 CA ILE A 100 -3.459 -10.543 -1.013 1.00 0.00 C ATOM 1548 C ILE A 100 -2.213 -10.151 -0.230 1.00 0.00 C ATOM 1549 O ILE A 100 -1.094 -10.245 -0.734 1.00 0.00 O ATOM 1550 CB ILE A 100 -4.344 -9.292 -1.219 1.00 0.00 C ATOM 1551 CG1 ILE A 100 -5.352 -9.546 -2.343 1.00 0.00 C ATOM 1552 CG2 ILE A 100 -3.497 -8.057 -1.517 1.00 0.00 C ATOM 1553 CD1 ILE A 100 -4.909 -9.015 -3.687 1.00 0.00 C ATOM 0 H ILE A 100 -4.943 -11.250 0.285 1.00 0.00 H new ATOM 0 HA ILE A 100 -3.161 -10.937 -1.984 1.00 0.00 H new ATOM 0 HB ILE A 100 -4.888 -9.099 -0.295 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -5.528 -10.619 -2.426 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -6.304 -9.087 -2.076 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -4.148 -7.194 -1.657 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -2.821 -7.870 -0.683 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -2.917 -8.224 -2.424 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -5.673 -9.232 -4.434 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -4.761 -7.937 -3.621 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -3.973 -9.493 -3.976 1.00 0.00 H new ATOM 1565 N LYS A 101 -2.420 -9.700 1.004 1.00 0.00 N ATOM 1566 CA LYS A 101 -1.323 -9.278 1.869 1.00 0.00 C ATOM 1567 C LYS A 101 -0.160 -10.263 1.805 1.00 0.00 C ATOM 1568 O LYS A 101 0.998 -9.877 1.948 1.00 0.00 O ATOM 1569 CB LYS A 101 -1.815 -9.154 3.311 1.00 0.00 C ATOM 1570 CG LYS A 101 -0.757 -8.635 4.273 1.00 0.00 C ATOM 1571 CD LYS A 101 -0.603 -9.545 5.480 1.00 0.00 C ATOM 1572 CE LYS A 101 -1.696 -9.297 6.507 1.00 0.00 C ATOM 1573 NZ LYS A 101 -1.298 -9.761 7.865 1.00 0.00 N ATOM 0 H LYS A 101 -3.343 -9.617 1.429 1.00 0.00 H new ATOM 0 HA LYS A 101 -0.970 -8.308 1.518 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -2.676 -8.486 3.336 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -2.159 -10.130 3.654 1.00 0.00 H new ATOM 0 HG2 LYS A 101 0.198 -8.553 3.754 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -1.027 -7.632 4.605 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -0.634 -10.586 5.158 1.00 0.00 H new ATOM 0 HD3 LYS A 101 0.372 -9.382 5.938 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -1.928 -8.232 6.541 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -2.606 -9.812 6.200 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -2.123 -9.732 8.497 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -0.940 -10.736 7.808 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -0.553 -9.140 8.240 1.00 0.00 H new ATOM 1587 N MET A 102 -0.476 -11.534 1.580 1.00 0.00 N ATOM 1588 CA MET A 102 0.542 -12.569 1.492 1.00 0.00 C ATOM 1589 C MET A 102 1.228 -12.522 0.136 1.00 0.00 C ATOM 1590 O MET A 102 2.443 -12.693 0.037 1.00 0.00 O ATOM 1591 CB MET A 102 -0.074 -13.951 1.720 1.00 0.00 C ATOM 1592 CG MET A 102 -1.173 -14.303 0.730 1.00 0.00 C ATOM 1593 SD MET A 102 -1.669 -16.034 0.829 1.00 0.00 S ATOM 1594 CE MET A 102 -2.351 -16.099 2.485 1.00 0.00 C ATOM 0 H MET A 102 -1.431 -11.870 1.455 1.00 0.00 H new ATOM 0 HA MET A 102 1.284 -12.386 2.269 1.00 0.00 H new ATOM 0 HB2 MET A 102 0.712 -14.704 1.659 1.00 0.00 H new ATOM 0 HB3 MET A 102 -0.480 -13.995 2.731 1.00 0.00 H new ATOM 0 HG2 MET A 102 -2.040 -13.669 0.916 1.00 0.00 H new ATOM 0 HG3 MET A 102 -0.829 -14.085 -0.281 1.00 0.00 H new ATOM 0 HE1 MET A 102 -2.117 -17.063 2.937 1.00 0.00 H new ATOM 0 HE2 MET A 102 -1.919 -15.300 3.088 1.00 0.00 H new ATOM 0 HE3 MET A 102 -3.433 -15.974 2.438 1.00 0.00 H new ATOM 1604 N THR A 103 0.442 -12.283 -0.908 1.00 0.00 N ATOM 1605 CA THR A 103 0.974 -12.206 -2.252 1.00 0.00 C ATOM 1606 C THR A 103 2.003 -11.093 -2.362 1.00 0.00 C ATOM 1607 O THR A 103 3.125 -11.312 -2.816 1.00 0.00 O ATOM 1608 CB THR A 103 -0.158 -11.973 -3.248 1.00 0.00 C ATOM 1609 OG1 THR A 103 -1.415 -12.230 -2.651 1.00 0.00 O ATOM 1610 CG2 THR A 103 -0.053 -12.836 -4.477 1.00 0.00 C ATOM 0 H THR A 103 -0.566 -12.140 -0.843 1.00 0.00 H new ATOM 0 HA THR A 103 1.465 -13.151 -2.483 1.00 0.00 H new ATOM 0 HB THR A 103 -0.070 -10.928 -3.545 1.00 0.00 H new ATOM 0 HG1 THR A 103 -1.973 -12.743 -3.272 1.00 0.00 H new ATOM 0 HG21 THR A 103 -0.888 -12.622 -5.144 1.00 0.00 H new ATOM 0 HG22 THR A 103 0.885 -12.626 -4.990 1.00 0.00 H new ATOM 0 HG23 THR A 103 -0.081 -13.886 -4.187 1.00 0.00 H new ATOM 1618 N LEU A 104 1.615 -9.895 -1.937 1.00 0.00 N ATOM 1619 CA LEU A 104 2.512 -8.749 -1.983 1.00 0.00 C ATOM 1620 C LEU A 104 3.843 -9.090 -1.322 1.00 0.00 C ATOM 1621 O LEU A 104 4.894 -9.031 -1.959 1.00 0.00 O ATOM 1622 CB LEU A 104 1.875 -7.541 -1.293 1.00 0.00 C ATOM 1623 CG LEU A 104 0.488 -7.149 -1.809 1.00 0.00 C ATOM 1624 CD1 LEU A 104 -0.296 -6.421 -0.728 1.00 0.00 C ATOM 1625 CD2 LEU A 104 0.602 -6.280 -3.050 1.00 0.00 C ATOM 0 H LEU A 104 0.689 -9.694 -1.559 1.00 0.00 H new ATOM 0 HA LEU A 104 2.694 -8.497 -3.028 1.00 0.00 H new ATOM 0 HB2 LEU A 104 1.802 -7.750 -0.226 1.00 0.00 H new ATOM 0 HB3 LEU A 104 2.541 -6.686 -1.406 1.00 0.00 H new ATOM 0 HG LEU A 104 -0.046 -8.061 -2.074 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -1.279 -6.150 -1.112 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -0.412 -7.072 0.138 1.00 0.00 H new ATOM 0 HD13 LEU A 104 0.240 -5.519 -0.435 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -0.395 -6.013 -3.400 1.00 0.00 H new ATOM 0 HD22 LEU A 104 1.157 -5.373 -2.810 1.00 0.00 H new ATOM 0 HD23 LEU A 104 1.126 -6.829 -3.832 1.00 0.00 H new ATOM 1637 N GLN A 105 3.791 -9.459 -0.043 1.00 0.00 N ATOM 1638 CA GLN A 105 5.000 -9.817 0.691 1.00 0.00 C ATOM 1639 C GLN A 105 5.695 -11.009 0.044 1.00 0.00 C ATOM 1640 O GLN A 105 6.923 -11.086 0.039 1.00 0.00 O ATOM 1641 CB GLN A 105 4.686 -10.123 2.158 1.00 0.00 C ATOM 1642 CG GLN A 105 3.569 -11.135 2.358 1.00 0.00 C ATOM 1643 CD GLN A 105 2.847 -10.947 3.679 1.00 0.00 C ATOM 1644 OE1 GLN A 105 2.627 -11.904 4.422 1.00 0.00 O ATOM 1645 NE2 GLN A 105 2.475 -9.707 3.978 1.00 0.00 N ATOM 0 H GLN A 105 2.931 -9.517 0.502 1.00 0.00 H new ATOM 0 HA GLN A 105 5.672 -8.960 0.656 1.00 0.00 H new ATOM 0 HB2 GLN A 105 5.589 -10.495 2.641 1.00 0.00 H new ATOM 0 HB3 GLN A 105 4.415 -9.195 2.661 1.00 0.00 H new ATOM 0 HG2 GLN A 105 2.853 -11.048 1.540 1.00 0.00 H new ATOM 0 HG3 GLN A 105 3.983 -12.142 2.314 1.00 0.00 H new ATOM 0 HE21 GLN A 105 2.678 -8.944 3.332 1.00 0.00 H new ATOM 0 HE22 GLN A 105 1.986 -9.518 4.853 1.00 0.00 H new ATOM 1654 N GLN A 106 4.914 -11.932 -0.516 1.00 0.00 N ATOM 1655 CA GLN A 106 5.483 -13.102 -1.176 1.00 0.00 C ATOM 1656 C GLN A 106 6.454 -12.661 -2.265 1.00 0.00 C ATOM 1657 O GLN A 106 7.490 -13.287 -2.488 1.00 0.00 O ATOM 1658 CB GLN A 106 4.374 -13.970 -1.777 1.00 0.00 C ATOM 1659 CG GLN A 106 3.949 -15.121 -0.881 1.00 0.00 C ATOM 1660 CD GLN A 106 3.073 -16.127 -1.600 1.00 0.00 C ATOM 1661 OE1 GLN A 106 3.551 -17.158 -2.073 1.00 0.00 O ATOM 1662 NE2 GLN A 106 1.781 -15.833 -1.686 1.00 0.00 N ATOM 0 H GLN A 106 3.895 -11.892 -0.525 1.00 0.00 H new ATOM 0 HA GLN A 106 6.022 -13.694 -0.437 1.00 0.00 H new ATOM 0 HB2 GLN A 106 3.507 -13.344 -1.986 1.00 0.00 H new ATOM 0 HB3 GLN A 106 4.715 -14.371 -2.732 1.00 0.00 H new ATOM 0 HG2 GLN A 106 4.836 -15.625 -0.498 1.00 0.00 H new ATOM 0 HG3 GLN A 106 3.410 -14.726 -0.019 1.00 0.00 H new ATOM 0 HE21 GLN A 106 1.427 -14.967 -1.280 1.00 0.00 H new ATOM 0 HE22 GLN A 106 1.143 -16.473 -2.158 1.00 0.00 H new ATOM 1671 N ILE A 107 6.106 -11.564 -2.924 1.00 0.00 N ATOM 1672 CA ILE A 107 6.931 -10.996 -3.982 1.00 0.00 C ATOM 1673 C ILE A 107 7.987 -10.072 -3.392 1.00 0.00 C ATOM 1674 O ILE A 107 9.174 -10.194 -3.690 1.00 0.00 O ATOM 1675 CB ILE A 107 6.074 -10.219 -4.994 1.00 0.00 C ATOM 1676 CG1 ILE A 107 4.833 -11.027 -5.385 1.00 0.00 C ATOM 1677 CG2 ILE A 107 6.899 -9.887 -6.217 1.00 0.00 C ATOM 1678 CD1 ILE A 107 3.674 -10.171 -5.844 1.00 0.00 C ATOM 0 H ILE A 107 5.247 -11.044 -2.741 1.00 0.00 H new ATOM 0 HA ILE A 107 7.421 -11.820 -4.501 1.00 0.00 H new ATOM 0 HB ILE A 107 5.740 -9.291 -4.531 1.00 0.00 H new ATOM 0 HG12 ILE A 107 5.098 -11.722 -6.181 1.00 0.00 H new ATOM 0 HG13 ILE A 107 4.516 -11.626 -4.531 1.00 0.00 H new ATOM 0 HG21 ILE A 107 6.286 -9.336 -6.931 1.00 0.00 H new ATOM 0 HG22 ILE A 107 7.753 -9.276 -5.925 1.00 0.00 H new ATOM 0 HG23 ILE A 107 7.253 -10.809 -6.678 1.00 0.00 H new ATOM 0 HD11 ILE A 107 2.830 -10.810 -6.105 1.00 0.00 H new ATOM 0 HD12 ILE A 107 3.382 -9.494 -5.042 1.00 0.00 H new ATOM 0 HD13 ILE A 107 3.973 -9.591 -6.717 1.00 0.00 H new ATOM 1690 N ILE A 108 7.539 -9.153 -2.543 1.00 0.00 N ATOM 1691 CA ILE A 108 8.429 -8.197 -1.881 1.00 0.00 C ATOM 1692 C ILE A 108 9.705 -8.866 -1.404 1.00 0.00 C ATOM 1693 O ILE A 108 10.807 -8.461 -1.766 1.00 0.00 O ATOM 1694 CB ILE A 108 7.749 -7.528 -0.669 1.00 0.00 C ATOM 1695 CG1 ILE A 108 6.390 -6.943 -1.080 1.00 0.00 C ATOM 1696 CG2 ILE A 108 8.664 -6.466 -0.068 1.00 0.00 C ATOM 1697 CD1 ILE A 108 6.198 -5.475 -0.743 1.00 0.00 C ATOM 0 H ILE A 108 6.556 -9.047 -2.293 1.00 0.00 H new ATOM 0 HA ILE A 108 8.668 -7.438 -2.626 1.00 0.00 H new ATOM 0 HB ILE A 108 7.567 -8.279 0.100 1.00 0.00 H new ATOM 0 HG12 ILE A 108 6.265 -7.073 -2.155 1.00 0.00 H new ATOM 0 HG13 ILE A 108 5.601 -7.518 -0.595 1.00 0.00 H new ATOM 0 HG21 ILE A 108 8.171 -6.002 0.786 1.00 0.00 H new ATOM 0 HG22 ILE A 108 9.595 -6.930 0.258 1.00 0.00 H new ATOM 0 HG23 ILE A 108 8.881 -5.706 -0.818 1.00 0.00 H new ATOM 0 HD11 ILE A 108 5.210 -5.153 -1.071 1.00 0.00 H new ATOM 0 HD12 ILE A 108 6.286 -5.334 0.334 1.00 0.00 H new ATOM 0 HD13 ILE A 108 6.960 -4.883 -1.250 1.00 0.00 H new ATOM 1709 N SER A 109 9.540 -9.894 -0.594 1.00 0.00 N ATOM 1710 CA SER A 109 10.676 -10.643 -0.054 1.00 0.00 C ATOM 1711 C SER A 109 11.688 -10.966 -1.147 1.00 0.00 C ATOM 1712 O SER A 109 12.883 -11.110 -0.884 1.00 0.00 O ATOM 1713 CB SER A 109 10.202 -11.938 0.603 1.00 0.00 C ATOM 1714 OG SER A 109 8.976 -12.377 0.044 1.00 0.00 O ATOM 0 H SER A 109 8.629 -10.237 -0.290 1.00 0.00 H new ATOM 0 HA SER A 109 11.159 -10.016 0.696 1.00 0.00 H new ATOM 0 HB2 SER A 109 10.960 -12.711 0.477 1.00 0.00 H new ATOM 0 HB3 SER A 109 10.081 -11.782 1.675 1.00 0.00 H new ATOM 0 HG SER A 109 8.234 -11.893 0.462 1.00 0.00 H new ATOM 1720 N ARG A 110 11.198 -11.082 -2.369 1.00 0.00 N ATOM 1721 CA ARG A 110 12.044 -11.391 -3.511 1.00 0.00 C ATOM 1722 C ARG A 110 12.907 -10.196 -3.902 1.00 0.00 C ATOM 1723 O ARG A 110 13.968 -10.360 -4.496 1.00 0.00 O ATOM 1724 CB ARG A 110 11.192 -11.838 -4.697 1.00 0.00 C ATOM 1725 CG ARG A 110 10.156 -12.891 -4.341 1.00 0.00 C ATOM 1726 CD ARG A 110 9.564 -13.533 -5.584 1.00 0.00 C ATOM 1727 NE ARG A 110 9.097 -14.894 -5.328 1.00 0.00 N ATOM 1728 CZ ARG A 110 8.856 -15.788 -6.285 1.00 0.00 C ATOM 1729 NH1 ARG A 110 9.034 -15.468 -7.560 1.00 0.00 N ATOM 1730 NH2 ARG A 110 8.435 -17.004 -5.965 1.00 0.00 N ATOM 0 H ARG A 110 10.211 -10.966 -2.598 1.00 0.00 H new ATOM 0 HA ARG A 110 12.709 -12.206 -3.224 1.00 0.00 H new ATOM 0 HB2 ARG A 110 10.685 -10.969 -5.117 1.00 0.00 H new ATOM 0 HB3 ARG A 110 11.846 -12.232 -5.475 1.00 0.00 H new ATOM 0 HG2 ARG A 110 10.615 -13.658 -3.718 1.00 0.00 H new ATOM 0 HG3 ARG A 110 9.360 -12.435 -3.752 1.00 0.00 H new ATOM 0 HD2 ARG A 110 8.733 -12.926 -5.945 1.00 0.00 H new ATOM 0 HD3 ARG A 110 10.313 -13.550 -6.375 1.00 0.00 H new ATOM 0 HE ARG A 110 8.947 -15.176 -4.359 1.00 0.00 H new ATOM 0 HH11 ARG A 110 9.357 -14.534 -7.811 1.00 0.00 H new ATOM 0 HH12 ARG A 110 8.848 -16.156 -8.289 1.00 0.00 H new ATOM 0 HH21 ARG A 110 8.296 -17.254 -4.986 1.00 0.00 H new ATOM 0 HH22 ARG A 110 8.250 -17.689 -6.698 1.00 0.00 H new ATOM 1744 N TYR A 111 12.448 -8.995 -3.566 1.00 0.00 N ATOM 1745 CA TYR A 111 13.193 -7.782 -3.888 1.00 0.00 C ATOM 1746 C TYR A 111 14.362 -7.630 -2.928 1.00 0.00 C ATOM 1747 O TYR A 111 15.440 -7.171 -3.307 1.00 0.00 O ATOM 1748 CB TYR A 111 12.310 -6.526 -3.810 1.00 0.00 C ATOM 1749 CG TYR A 111 10.856 -6.710 -4.214 1.00 0.00 C ATOM 1750 CD1 TYR A 111 10.418 -7.829 -4.918 1.00 0.00 C ATOM 1751 CD2 TYR A 111 9.915 -5.741 -3.881 1.00 0.00 C ATOM 1752 CE1 TYR A 111 9.093 -7.974 -5.271 1.00 0.00 C ATOM 1753 CE2 TYR A 111 8.587 -5.880 -4.233 1.00 0.00 C ATOM 1754 CZ TYR A 111 8.181 -6.998 -4.926 1.00 0.00 C ATOM 1755 OH TYR A 111 6.859 -7.137 -5.276 1.00 0.00 O ATOM 0 H TYR A 111 11.569 -8.835 -3.074 1.00 0.00 H new ATOM 0 HA TYR A 111 13.552 -7.879 -4.913 1.00 0.00 H new ATOM 0 HB2 TYR A 111 12.338 -6.149 -2.788 1.00 0.00 H new ATOM 0 HB3 TYR A 111 12.749 -5.757 -4.446 1.00 0.00 H new ATOM 0 HD1 TYR A 111 11.128 -8.596 -5.192 1.00 0.00 H new ATOM 0 HD2 TYR A 111 10.229 -4.863 -3.337 1.00 0.00 H new ATOM 0 HE1 TYR A 111 8.770 -8.849 -5.816 1.00 0.00 H new ATOM 0 HE2 TYR A 111 7.871 -5.116 -3.966 1.00 0.00 H new ATOM 0 HH TYR A 111 6.322 -7.288 -4.471 1.00 0.00 H new ATOM 1765 N LYS A 112 14.141 -8.042 -1.686 1.00 0.00 N ATOM 1766 CA LYS A 112 15.175 -7.978 -0.667 1.00 0.00 C ATOM 1767 C LYS A 112 16.075 -9.172 -0.843 1.00 0.00 C ATOM 1768 O LYS A 112 17.301 -9.075 -0.816 1.00 0.00 O ATOM 1769 CB LYS A 112 14.601 -7.971 0.756 1.00 0.00 C ATOM 1770 CG LYS A 112 13.132 -8.309 0.817 1.00 0.00 C ATOM 1771 CD LYS A 112 12.317 -7.211 0.180 1.00 0.00 C ATOM 1772 CE LYS A 112 12.306 -5.970 1.038 1.00 0.00 C ATOM 1773 NZ LYS A 112 11.135 -5.098 0.749 1.00 0.00 N ATOM 0 H LYS A 112 13.253 -8.424 -1.362 1.00 0.00 H new ATOM 0 HA LYS A 112 15.723 -7.044 -0.790 1.00 0.00 H new ATOM 0 HB2 LYS A 112 15.155 -8.685 1.366 1.00 0.00 H new ATOM 0 HB3 LYS A 112 14.757 -6.986 1.197 1.00 0.00 H new ATOM 0 HG2 LYS A 112 12.947 -9.253 0.304 1.00 0.00 H new ATOM 0 HG3 LYS A 112 12.825 -8.444 1.854 1.00 0.00 H new ATOM 0 HD2 LYS A 112 12.727 -6.974 -0.802 1.00 0.00 H new ATOM 0 HD3 LYS A 112 11.295 -7.557 0.024 1.00 0.00 H new ATOM 0 HE2 LYS A 112 12.292 -6.257 2.089 1.00 0.00 H new ATOM 0 HE3 LYS A 112 13.225 -5.408 0.873 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 11.403 -4.102 0.881 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 10.826 -5.246 -0.233 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 10.357 -5.336 1.397 1.00 0.00 H new ATOM 1787 N ASP A 113 15.425 -10.304 -1.058 1.00 0.00 N ATOM 1788 CA ASP A 113 16.123 -11.554 -1.287 1.00 0.00 C ATOM 1789 C ASP A 113 16.963 -11.432 -2.546 1.00 0.00 C ATOM 1790 O ASP A 113 18.033 -12.030 -2.661 1.00 0.00 O ATOM 1791 CB ASP A 113 15.131 -12.711 -1.419 1.00 0.00 C ATOM 1792 CG ASP A 113 15.818 -14.063 -1.439 1.00 0.00 C ATOM 1793 OD1 ASP A 113 17.036 -14.106 -1.713 1.00 0.00 O ATOM 1794 OD2 ASP A 113 15.138 -15.079 -1.181 1.00 0.00 O ATOM 0 H ASP A 113 14.408 -10.381 -1.078 1.00 0.00 H new ATOM 0 HA ASP A 113 16.771 -11.763 -0.436 1.00 0.00 H new ATOM 0 HB2 ASP A 113 14.425 -12.677 -0.589 1.00 0.00 H new ATOM 0 HB3 ASP A 113 14.552 -12.587 -2.334 1.00 0.00 H new ATOM 1799 N ALA A 114 16.472 -10.626 -3.482 1.00 0.00 N ATOM 1800 CA ALA A 114 17.175 -10.391 -4.729 1.00 0.00 C ATOM 1801 C ALA A 114 18.070 -9.161 -4.624 1.00 0.00 C ATOM 1802 O ALA A 114 18.996 -8.987 -5.414 1.00 0.00 O ATOM 1803 CB ALA A 114 16.197 -10.239 -5.883 1.00 0.00 C ATOM 0 H ALA A 114 15.587 -10.125 -3.396 1.00 0.00 H new ATOM 0 HA ALA A 114 17.805 -11.258 -4.926 1.00 0.00 H new ATOM 0 HB1 ALA A 114 16.749 -10.064 -6.807 1.00 0.00 H new ATOM 0 HB2 ALA A 114 15.605 -11.149 -5.981 1.00 0.00 H new ATOM 0 HB3 ALA A 114 15.535 -9.395 -5.690 1.00 0.00 H new ATOM 1809 N ASP A 115 17.785 -8.305 -3.641 1.00 0.00 N ATOM 1810 CA ASP A 115 18.572 -7.090 -3.439 1.00 0.00 C ATOM 1811 C ASP A 115 20.051 -7.420 -3.264 1.00 0.00 C ATOM 1812 O ASP A 115 20.361 -8.576 -2.908 1.00 0.00 O ATOM 1813 CB ASP A 115 18.061 -6.322 -2.218 1.00 0.00 C ATOM 1814 CG ASP A 115 17.156 -5.165 -2.596 1.00 0.00 C ATOM 1815 OD1 ASP A 115 16.737 -5.098 -3.771 1.00 0.00 O ATOM 1816 OD2 ASP A 115 16.864 -4.328 -1.717 1.00 0.00 O ATOM 0 H ASP A 115 17.021 -8.430 -2.977 1.00 0.00 H new ATOM 0 HA ASP A 115 18.461 -6.465 -4.325 1.00 0.00 H new ATOM 0 HB2 ASP A 115 17.518 -7.005 -1.564 1.00 0.00 H new ATOM 0 HB3 ASP A 115 18.910 -5.944 -1.649 1.00 0.00 H new TER 1821 ASP A 115 ATOM 1822 N ASP B 661 -9.826 9.225 15.175 1.00 0.00 N ATOM 1823 CA ASP B 661 -10.103 8.729 16.550 1.00 0.00 C ATOM 1824 C ASP B 661 -11.584 8.415 16.734 1.00 0.00 C ATOM 1825 O ASP B 661 -12.330 9.209 17.308 1.00 0.00 O ATOM 1826 CB ASP B 661 -9.660 9.797 17.551 1.00 0.00 C ATOM 1827 CG ASP B 661 -8.173 10.081 17.473 1.00 0.00 C ATOM 1828 OD1 ASP B 661 -7.397 9.126 17.262 1.00 0.00 O ATOM 1829 OD2 ASP B 661 -7.785 11.259 17.624 1.00 0.00 O ATOM 0 HA ASP B 661 -9.549 7.805 16.717 1.00 0.00 H new ATOM 0 HB2 ASP B 661 -10.213 10.718 17.365 1.00 0.00 H new ATOM 0 HB3 ASP B 661 -9.913 9.472 18.560 1.00 0.00 H new ATOM 1834 N LEU B 662 -12.004 7.253 16.243 1.00 0.00 N ATOM 1835 CA LEU B 662 -13.396 6.835 16.355 1.00 0.00 C ATOM 1836 C LEU B 662 -14.320 7.828 15.657 1.00 0.00 C ATOM 1837 O LEU B 662 -15.154 8.472 16.295 1.00 0.00 O ATOM 1838 CB LEU B 662 -13.791 6.695 17.826 1.00 0.00 C ATOM 1839 CG LEU B 662 -14.823 5.603 18.118 1.00 0.00 C ATOM 1840 CD1 LEU B 662 -14.160 4.236 18.151 1.00 0.00 C ATOM 1841 CD2 LEU B 662 -15.536 5.884 19.433 1.00 0.00 C ATOM 0 H LEU B 662 -11.400 6.585 15.764 1.00 0.00 H new ATOM 0 HA LEU B 662 -13.500 5.866 15.866 1.00 0.00 H new ATOM 0 HB2 LEU B 662 -12.893 6.491 18.410 1.00 0.00 H new ATOM 0 HB3 LEU B 662 -14.187 7.650 18.173 1.00 0.00 H new ATOM 0 HG LEU B 662 -15.563 5.605 17.317 1.00 0.00 H new ATOM 0 HD11 LEU B 662 -14.910 3.473 18.360 1.00 0.00 H new ATOM 0 HD12 LEU B 662 -13.695 4.034 17.186 1.00 0.00 H new ATOM 0 HD13 LEU B 662 -13.399 4.220 18.931 1.00 0.00 H new ATOM 0 HD21 LEU B 662 -16.266 5.098 19.626 1.00 0.00 H new ATOM 0 HD22 LEU B 662 -14.808 5.909 20.244 1.00 0.00 H new ATOM 0 HD23 LEU B 662 -16.045 6.846 19.373 1.00 0.00 H new ATOM 1853 N GLU B 663 -14.165 7.949 14.342 1.00 0.00 N ATOM 1854 CA GLU B 663 -14.984 8.863 13.557 1.00 0.00 C ATOM 1855 C GLU B 663 -14.661 8.742 12.071 1.00 0.00 C ATOM 1856 O GLU B 663 -13.721 9.366 11.577 1.00 0.00 O ATOM 1857 CB GLU B 663 -14.768 10.304 14.021 1.00 0.00 C ATOM 1858 CG GLU B 663 -15.814 11.276 13.499 1.00 0.00 C ATOM 1859 CD GLU B 663 -15.220 12.610 13.095 1.00 0.00 C ATOM 1860 OE1 GLU B 663 -14.297 13.084 13.790 1.00 0.00 O ATOM 1861 OE2 GLU B 663 -15.676 13.182 12.083 1.00 0.00 O ATOM 0 H GLU B 663 -13.479 7.425 13.799 1.00 0.00 H new ATOM 0 HA GLU B 663 -16.029 8.594 13.708 1.00 0.00 H new ATOM 0 HB2 GLU B 663 -14.772 10.330 15.111 1.00 0.00 H new ATOM 0 HB3 GLU B 663 -13.782 10.637 13.698 1.00 0.00 H new ATOM 0 HG2 GLU B 663 -16.320 10.833 12.641 1.00 0.00 H new ATOM 0 HG3 GLU B 663 -16.570 11.437 14.267 1.00 0.00 H new ATOM 1868 N VAL B 664 -15.446 7.936 11.363 1.00 0.00 N ATOM 1869 CA VAL B 664 -15.243 7.732 9.933 1.00 0.00 C ATOM 1870 C VAL B 664 -13.926 7.012 9.663 1.00 0.00 C ATOM 1871 O VAL B 664 -12.869 7.638 9.591 1.00 0.00 O ATOM 1872 CB VAL B 664 -15.252 9.068 9.167 1.00 0.00 C ATOM 1873 CG1 VAL B 664 -15.242 8.824 7.666 1.00 0.00 C ATOM 1874 CG2 VAL B 664 -16.455 9.907 9.570 1.00 0.00 C ATOM 0 H VAL B 664 -16.229 7.413 11.756 1.00 0.00 H new ATOM 0 HA VAL B 664 -16.070 7.116 9.581 1.00 0.00 H new ATOM 0 HB VAL B 664 -14.349 9.620 9.428 1.00 0.00 H new ATOM 0 HG11 VAL B 664 -15.249 9.780 7.142 1.00 0.00 H new ATOM 0 HG12 VAL B 664 -14.345 8.267 7.394 1.00 0.00 H new ATOM 0 HG13 VAL B 664 -16.125 8.250 7.385 1.00 0.00 H new ATOM 0 HG21 VAL B 664 -16.444 10.847 9.018 1.00 0.00 H new ATOM 0 HG22 VAL B 664 -17.371 9.363 9.341 1.00 0.00 H new ATOM 0 HG23 VAL B 664 -16.413 10.113 10.639 1.00 0.00 H new ATOM 1884 N LEU B 665 -13.999 5.693 9.515 1.00 0.00 N ATOM 1885 CA LEU B 665 -12.813 4.886 9.252 1.00 0.00 C ATOM 1886 C LEU B 665 -11.833 4.967 10.418 1.00 0.00 C ATOM 1887 O LEU B 665 -11.739 5.991 11.094 1.00 0.00 O ATOM 1888 CB LEU B 665 -12.131 5.347 7.961 1.00 0.00 C ATOM 1889 CG LEU B 665 -11.571 4.223 7.086 1.00 0.00 C ATOM 1890 CD1 LEU B 665 -10.382 3.560 7.765 1.00 0.00 C ATOM 1891 CD2 LEU B 665 -12.653 3.199 6.779 1.00 0.00 C ATOM 0 H LEU B 665 -14.867 5.160 9.573 1.00 0.00 H new ATOM 0 HA LEU B 665 -13.127 3.849 9.136 1.00 0.00 H new ATOM 0 HB2 LEU B 665 -12.849 5.920 7.374 1.00 0.00 H new ATOM 0 HB3 LEU B 665 -11.317 6.025 8.220 1.00 0.00 H new ATOM 0 HG LEU B 665 -11.230 4.655 6.145 1.00 0.00 H new ATOM 0 HD11 LEU B 665 -9.997 2.763 7.128 1.00 0.00 H new ATOM 0 HD12 LEU B 665 -9.600 4.300 7.933 1.00 0.00 H new ATOM 0 HD13 LEU B 665 -10.696 3.141 8.721 1.00 0.00 H new ATOM 0 HD21 LEU B 665 -12.238 2.407 6.156 1.00 0.00 H new ATOM 0 HD22 LEU B 665 -13.024 2.771 7.710 1.00 0.00 H new ATOM 0 HD23 LEU B 665 -13.474 3.684 6.250 1.00 0.00 H new ATOM 1903 N SER B 666 -11.104 3.879 10.647 1.00 0.00 N ATOM 1904 CA SER B 666 -10.130 3.825 11.732 1.00 0.00 C ATOM 1905 C SER B 666 -8.808 3.241 11.246 1.00 0.00 C ATOM 1906 O SER B 666 -8.479 2.092 11.542 1.00 0.00 O ATOM 1907 CB SER B 666 -10.675 2.994 12.893 1.00 0.00 C ATOM 1908 OG SER B 666 -10.046 3.347 14.113 1.00 0.00 O ATOM 0 H SER B 666 -11.169 3.023 10.096 1.00 0.00 H new ATOM 0 HA SER B 666 -9.950 4.843 12.078 1.00 0.00 H new ATOM 0 HB2 SER B 666 -11.751 3.145 12.978 1.00 0.00 H new ATOM 0 HB3 SER B 666 -10.516 1.935 12.692 1.00 0.00 H new ATOM 0 HG SER B 666 -10.413 2.802 14.840 1.00 0.00 H new ATOM 1914 N GLU B 667 -8.055 4.040 10.496 1.00 0.00 N ATOM 1915 CA GLU B 667 -6.767 3.603 9.966 1.00 0.00 C ATOM 1916 C GLU B 667 -5.619 4.011 10.879 1.00 0.00 C ATOM 1917 O GLU B 667 -4.461 4.054 10.464 1.00 0.00 O ATOM 1918 CB GLU B 667 -6.546 4.153 8.556 1.00 0.00 C ATOM 1919 CG GLU B 667 -6.412 5.666 8.507 1.00 0.00 C ATOM 1920 CD GLU B 667 -5.332 6.125 7.549 1.00 0.00 C ATOM 1921 OE1 GLU B 667 -5.394 5.748 6.359 1.00 0.00 O ATOM 1922 OE2 GLU B 667 -4.423 6.861 7.986 1.00 0.00 O ATOM 0 H GLU B 667 -8.314 4.993 10.241 1.00 0.00 H new ATOM 0 HA GLU B 667 -6.786 2.514 9.918 1.00 0.00 H new ATOM 0 HB2 GLU B 667 -5.646 3.703 8.137 1.00 0.00 H new ATOM 0 HB3 GLU B 667 -7.379 3.850 7.922 1.00 0.00 H new ATOM 0 HG2 GLU B 667 -7.366 6.102 8.209 1.00 0.00 H new ATOM 0 HG3 GLU B 667 -6.189 6.040 9.506 1.00 0.00 H new ATOM 1929 N GLU B 668 -5.955 4.308 12.119 1.00 0.00 N ATOM 1930 CA GLU B 668 -4.965 4.715 13.110 1.00 0.00 C ATOM 1931 C GLU B 668 -4.283 3.504 13.747 1.00 0.00 C ATOM 1932 O GLU B 668 -3.425 3.655 14.618 1.00 0.00 O ATOM 1933 CB GLU B 668 -5.624 5.570 14.194 1.00 0.00 C ATOM 1934 CG GLU B 668 -4.669 6.545 14.863 1.00 0.00 C ATOM 1935 CD GLU B 668 -4.885 6.637 16.361 1.00 0.00 C ATOM 1936 OE1 GLU B 668 -6.048 6.801 16.785 1.00 0.00 O ATOM 1937 OE2 GLU B 668 -3.890 6.546 17.111 1.00 0.00 O ATOM 0 H GLU B 668 -6.912 4.276 12.471 1.00 0.00 H new ATOM 0 HA GLU B 668 -4.203 5.303 12.598 1.00 0.00 H new ATOM 0 HB2 GLU B 668 -6.450 6.128 13.753 1.00 0.00 H new ATOM 0 HB3 GLU B 668 -6.051 4.914 14.953 1.00 0.00 H new ATOM 0 HG2 GLU B 668 -3.643 6.236 14.666 1.00 0.00 H new ATOM 0 HG3 GLU B 668 -4.795 7.533 14.420 1.00 0.00 H new ATOM 1944 N LEU B 669 -4.664 2.305 13.313 1.00 0.00 N ATOM 1945 CA LEU B 669 -4.082 1.078 13.848 1.00 0.00 C ATOM 1946 C LEU B 669 -3.406 0.265 12.746 1.00 0.00 C ATOM 1947 O LEU B 669 -3.182 -0.936 12.901 1.00 0.00 O ATOM 1948 CB LEU B 669 -5.160 0.235 14.531 1.00 0.00 C ATOM 1949 CG LEU B 669 -6.501 0.179 13.799 1.00 0.00 C ATOM 1950 CD1 LEU B 669 -6.340 -0.481 12.439 1.00 0.00 C ATOM 1951 CD2 LEU B 669 -7.533 -0.562 14.635 1.00 0.00 C ATOM 0 H LEU B 669 -5.372 2.158 12.594 1.00 0.00 H new ATOM 0 HA LEU B 669 -3.326 1.356 14.582 1.00 0.00 H new ATOM 0 HB2 LEU B 669 -4.785 -0.782 14.647 1.00 0.00 H new ATOM 0 HB3 LEU B 669 -5.327 0.630 15.533 1.00 0.00 H new ATOM 0 HG LEU B 669 -6.852 1.199 13.645 1.00 0.00 H new ATOM 0 HD11 LEU B 669 -7.305 -0.512 11.933 1.00 0.00 H new ATOM 0 HD12 LEU B 669 -5.633 0.091 11.838 1.00 0.00 H new ATOM 0 HD13 LEU B 669 -5.966 -1.497 12.569 1.00 0.00 H new ATOM 0 HD21 LEU B 669 -8.482 -0.592 14.099 1.00 0.00 H new ATOM 0 HD22 LEU B 669 -7.188 -1.579 14.821 1.00 0.00 H new ATOM 0 HD23 LEU B 669 -7.670 -0.046 15.585 1.00 0.00 H new ATOM 1963 N PHE B 670 -3.083 0.922 11.637 1.00 0.00 N ATOM 1964 CA PHE B 670 -2.433 0.253 10.516 1.00 0.00 C ATOM 1965 C PHE B 670 -1.057 -0.269 10.917 1.00 0.00 C ATOM 1966 O PHE B 670 -0.195 0.494 11.351 1.00 0.00 O ATOM 1967 CB PHE B 670 -2.306 1.211 9.328 1.00 0.00 C ATOM 1968 CG PHE B 670 -3.323 0.969 8.250 1.00 0.00 C ATOM 1969 CD1 PHE B 670 -4.615 1.454 8.378 1.00 0.00 C ATOM 1970 CD2 PHE B 670 -2.987 0.259 7.109 1.00 0.00 C ATOM 1971 CE1 PHE B 670 -5.553 1.233 7.388 1.00 0.00 C ATOM 1972 CE2 PHE B 670 -3.921 0.034 6.116 1.00 0.00 C ATOM 1973 CZ PHE B 670 -5.205 0.523 6.255 1.00 0.00 C ATOM 0 H PHE B 670 -3.260 1.916 11.491 1.00 0.00 H new ATOM 0 HA PHE B 670 -3.050 -0.596 10.223 1.00 0.00 H new ATOM 0 HB2 PHE B 670 -2.405 2.236 9.686 1.00 0.00 H new ATOM 0 HB3 PHE B 670 -1.307 1.117 8.902 1.00 0.00 H new ATOM 0 HD1 PHE B 670 -4.892 2.011 9.261 1.00 0.00 H new ATOM 0 HD2 PHE B 670 -1.983 -0.123 6.994 1.00 0.00 H new ATOM 0 HE1 PHE B 670 -6.557 1.615 7.500 1.00 0.00 H new ATOM 0 HE2 PHE B 670 -3.647 -0.523 5.232 1.00 0.00 H new ATOM 0 HZ PHE B 670 -5.936 0.351 5.479 1.00 0.00 H new ATOM 1983 N GLU B 671 -0.860 -1.575 10.768 1.00 0.00 N ATOM 1984 CA GLU B 671 0.411 -2.200 11.114 1.00 0.00 C ATOM 1985 C GLU B 671 1.243 -2.469 9.866 1.00 0.00 C ATOM 1986 O GLU B 671 0.762 -2.320 8.742 1.00 0.00 O ATOM 1987 CB GLU B 671 0.170 -3.508 11.872 1.00 0.00 C ATOM 1988 CG GLU B 671 1.236 -3.813 12.912 1.00 0.00 C ATOM 1989 CD GLU B 671 0.764 -4.804 13.957 1.00 0.00 C ATOM 1990 OE1 GLU B 671 -0.220 -4.499 14.663 1.00 0.00 O ATOM 1991 OE2 GLU B 671 1.377 -5.887 14.069 1.00 0.00 O ATOM 0 H GLU B 671 -1.564 -2.221 10.410 1.00 0.00 H new ATOM 0 HA GLU B 671 0.963 -1.512 11.755 1.00 0.00 H new ATOM 0 HB2 GLU B 671 -0.802 -3.460 12.363 1.00 0.00 H new ATOM 0 HB3 GLU B 671 0.126 -4.330 11.157 1.00 0.00 H new ATOM 0 HG2 GLU B 671 2.121 -4.209 12.414 1.00 0.00 H new ATOM 0 HG3 GLU B 671 1.534 -2.887 13.403 1.00 0.00 H new ATOM 1998 N ASP B 672 2.496 -2.865 10.069 1.00 0.00 N ATOM 1999 CA ASP B 672 3.396 -3.155 8.959 1.00 0.00 C ATOM 2000 C ASP B 672 3.770 -4.633 8.932 1.00 0.00 C ATOM 2001 O ASP B 672 4.450 -5.127 9.831 1.00 0.00 O ATOM 2002 CB ASP B 672 4.659 -2.300 9.063 1.00 0.00 C ATOM 2003 CG ASP B 672 5.430 -2.560 10.342 1.00 0.00 C ATOM 2004 OD1 ASP B 672 6.268 -3.488 10.352 1.00 0.00 O ATOM 2005 OD2 ASP B 672 5.196 -1.840 11.334 1.00 0.00 O ATOM 0 H ASP B 672 2.911 -2.992 10.992 1.00 0.00 H new ATOM 0 HA ASP B 672 2.877 -2.914 8.031 1.00 0.00 H new ATOM 0 HB2 ASP B 672 5.303 -2.502 8.207 1.00 0.00 H new ATOM 0 HB3 ASP B 672 4.386 -1.246 9.015 1.00 0.00 H new ATOM 2010 N VAL B 673 3.322 -5.334 7.896 1.00 0.00 N ATOM 2011 CA VAL B 673 3.610 -6.756 7.754 1.00 0.00 C ATOM 2012 C VAL B 673 5.103 -6.993 7.531 1.00 0.00 C ATOM 2013 O VAL B 673 5.795 -6.151 6.959 1.00 0.00 O ATOM 2014 CB VAL B 673 2.820 -7.377 6.586 1.00 0.00 C ATOM 2015 CG1 VAL B 673 1.323 -7.261 6.834 1.00 0.00 C ATOM 2016 CG2 VAL B 673 3.202 -6.721 5.266 1.00 0.00 C ATOM 0 H VAL B 673 2.758 -4.940 7.143 1.00 0.00 H new ATOM 0 HA VAL B 673 3.303 -7.237 8.683 1.00 0.00 H new ATOM 0 HB VAL B 673 3.076 -8.435 6.523 1.00 0.00 H new ATOM 0 HG11 VAL B 673 0.780 -7.705 5.999 1.00 0.00 H new ATOM 0 HG12 VAL B 673 1.065 -7.785 7.754 1.00 0.00 H new ATOM 0 HG13 VAL B 673 1.050 -6.210 6.927 1.00 0.00 H new ATOM 0 HG21 VAL B 673 2.632 -7.175 4.456 1.00 0.00 H new ATOM 0 HG22 VAL B 673 2.981 -5.655 5.312 1.00 0.00 H new ATOM 0 HG23 VAL B 673 4.267 -6.863 5.084 1.00 0.00 H new ATOM 2026 N PRO B 674 5.621 -8.148 7.986 1.00 0.00 N ATOM 2027 CA PRO B 674 7.039 -8.490 7.837 1.00 0.00 C ATOM 2028 C PRO B 674 7.408 -8.836 6.399 1.00 0.00 C ATOM 2029 O PRO B 674 6.557 -9.249 5.611 1.00 0.00 O ATOM 2030 CB PRO B 674 7.203 -9.714 8.740 1.00 0.00 C ATOM 2031 CG PRO B 674 5.852 -10.339 8.774 1.00 0.00 C ATOM 2032 CD PRO B 674 4.866 -9.206 8.684 1.00 0.00 C ATOM 0 HA PRO B 674 7.688 -7.656 8.101 1.00 0.00 H new ATOM 0 HB2 PRO B 674 7.949 -10.403 8.343 1.00 0.00 H new ATOM 0 HB3 PRO B 674 7.533 -9.428 9.739 1.00 0.00 H new ATOM 0 HG2 PRO B 674 5.723 -11.034 7.945 1.00 0.00 H new ATOM 0 HG3 PRO B 674 5.709 -10.908 9.692 1.00 0.00 H new ATOM 0 HD2 PRO B 674 3.973 -9.494 8.130 1.00 0.00 H new ATOM 0 HD3 PRO B 674 4.537 -8.880 9.671 1.00 0.00 H new ATOM 2040 N THR B 675 8.684 -8.668 6.066 1.00 0.00 N ATOM 2041 CA THR B 675 9.172 -8.964 4.723 1.00 0.00 C ATOM 2042 C THR B 675 10.530 -9.657 4.782 1.00 0.00 C ATOM 2043 O THR B 675 11.510 -9.084 5.259 1.00 0.00 O ATOM 2044 CB THR B 675 9.271 -7.680 3.898 1.00 0.00 C ATOM 2045 OG1 THR B 675 9.363 -6.546 4.743 1.00 0.00 O ATOM 2046 CG2 THR B 675 8.088 -7.471 2.976 1.00 0.00 C ATOM 0 H THR B 675 9.400 -8.328 6.708 1.00 0.00 H new ATOM 0 HA THR B 675 8.462 -9.637 4.243 1.00 0.00 H new ATOM 0 HB THR B 675 10.170 -7.794 3.292 1.00 0.00 H new ATOM 0 HG1 THR B 675 9.427 -5.735 4.196 1.00 0.00 H new ATOM 0 HG21 THR B 675 8.220 -6.543 2.419 1.00 0.00 H new ATOM 0 HG22 THR B 675 8.018 -8.306 2.278 1.00 0.00 H new ATOM 0 HG23 THR B 675 7.173 -7.414 3.565 1.00 0.00 H new ATOM 2054 N LYS B 676 10.578 -10.894 4.296 1.00 0.00 N ATOM 2055 CA LYS B 676 11.815 -11.669 4.295 1.00 0.00 C ATOM 2056 C LYS B 676 12.927 -10.926 3.562 1.00 0.00 C ATOM 2057 O LYS B 676 12.795 -10.595 2.384 1.00 0.00 O ATOM 2058 CB LYS B 676 11.583 -13.034 3.645 1.00 0.00 C ATOM 2059 CG LYS B 676 12.713 -14.022 3.884 1.00 0.00 C ATOM 2060 CD LYS B 676 12.197 -15.450 3.966 1.00 0.00 C ATOM 2061 CE LYS B 676 12.932 -16.246 5.032 1.00 0.00 C ATOM 2062 NZ LYS B 676 12.068 -17.301 5.631 1.00 0.00 N ATOM 0 H LYS B 676 9.775 -11.381 3.898 1.00 0.00 H new ATOM 0 HA LYS B 676 12.124 -11.813 5.330 1.00 0.00 H new ATOM 0 HB2 LYS B 676 10.655 -13.457 4.029 1.00 0.00 H new ATOM 0 HB3 LYS B 676 11.451 -12.898 2.572 1.00 0.00 H new ATOM 0 HG2 LYS B 676 13.443 -13.943 3.078 1.00 0.00 H new ATOM 0 HG3 LYS B 676 13.231 -13.767 4.809 1.00 0.00 H new ATOM 0 HD2 LYS B 676 11.130 -15.440 4.188 1.00 0.00 H new ATOM 0 HD3 LYS B 676 12.317 -15.938 2.999 1.00 0.00 H new ATOM 0 HE2 LYS B 676 13.818 -16.707 4.595 1.00 0.00 H new ATOM 0 HE3 LYS B 676 13.277 -15.571 5.815 1.00 0.00 H new ATOM 0 HZ1 LYS B 676 12.606 -17.821 6.353 1.00 0.00 H new ATOM 0 HZ2 LYS B 676 11.235 -16.860 6.071 1.00 0.00 H new ATOM 0 HZ3 LYS B 676 11.759 -17.960 4.888 1.00 0.00 H new ATOM 2076 N SER B 677 14.025 -10.672 4.267 1.00 0.00 N ATOM 2077 CA SER B 677 15.162 -9.970 3.683 1.00 0.00 C ATOM 2078 C SER B 677 16.469 -10.415 4.324 1.00 0.00 C ATOM 2079 O SER B 677 17.463 -10.655 3.640 1.00 0.00 O ATOM 2080 CB SER B 677 14.991 -8.458 3.838 1.00 0.00 C ATOM 2081 OG SER B 677 16.037 -7.756 3.187 1.00 0.00 O ATOM 0 H SER B 677 14.151 -10.942 5.243 1.00 0.00 H new ATOM 0 HA SER B 677 15.200 -10.217 2.622 1.00 0.00 H new ATOM 0 HB2 SER B 677 14.031 -8.153 3.422 1.00 0.00 H new ATOM 0 HB3 SER B 677 14.977 -8.197 4.896 1.00 0.00 H new ATOM 0 HG SER B 677 16.657 -7.398 3.856 1.00 0.00 H new ATOM 2087 N GLN B 678 16.453 -10.520 5.642 1.00 0.00 N ATOM 2088 CA GLN B 678 17.631 -10.936 6.395 1.00 0.00 C ATOM 2089 C GLN B 678 17.331 -12.176 7.232 1.00 0.00 C ATOM 2090 O GLN B 678 16.170 -12.515 7.462 1.00 0.00 O ATOM 2091 CB GLN B 678 18.110 -9.800 7.300 1.00 0.00 C ATOM 2092 CG GLN B 678 19.115 -8.874 6.634 1.00 0.00 C ATOM 2093 CD GLN B 678 18.494 -7.565 6.187 1.00 0.00 C ATOM 2094 OE1 GLN B 678 17.777 -7.514 5.189 1.00 0.00 O ATOM 2095 NE2 GLN B 678 18.770 -6.496 6.926 1.00 0.00 N ATOM 0 H GLN B 678 15.635 -10.323 6.218 1.00 0.00 H new ATOM 0 HA GLN B 678 18.419 -11.182 5.683 1.00 0.00 H new ATOM 0 HB2 GLN B 678 17.248 -9.216 7.622 1.00 0.00 H new ATOM 0 HB3 GLN B 678 18.560 -10.226 8.197 1.00 0.00 H new ATOM 0 HG2 GLN B 678 19.929 -8.667 7.329 1.00 0.00 H new ATOM 0 HG3 GLN B 678 19.552 -9.378 5.772 1.00 0.00 H new ATOM 0 HE21 GLN B 678 19.370 -6.584 7.746 1.00 0.00 H new ATOM 0 HE22 GLN B 678 18.382 -5.587 6.673 1.00 0.00 H new ATOM 2104 N ILE B 679 18.385 -12.847 7.684 1.00 0.00 N ATOM 2105 CA ILE B 679 18.235 -14.049 8.496 1.00 0.00 C ATOM 2106 C ILE B 679 18.000 -13.704 9.963 1.00 0.00 C ATOM 2107 O ILE B 679 17.489 -14.522 10.727 1.00 0.00 O ATOM 2108 CB ILE B 679 19.472 -14.960 8.386 1.00 0.00 C ATOM 2109 CG1 ILE B 679 20.744 -14.168 8.697 1.00 0.00 C ATOM 2110 CG2 ILE B 679 19.554 -15.580 6.999 1.00 0.00 C ATOM 2111 CD1 ILE B 679 21.946 -15.042 8.981 1.00 0.00 C ATOM 0 H ILE B 679 19.352 -12.579 7.502 1.00 0.00 H new ATOM 0 HA ILE B 679 17.365 -14.580 8.110 1.00 0.00 H new ATOM 0 HB ILE B 679 19.378 -15.764 9.116 1.00 0.00 H new ATOM 0 HG12 ILE B 679 20.971 -13.515 7.854 1.00 0.00 H new ATOM 0 HG13 ILE B 679 20.561 -13.525 9.558 1.00 0.00 H new ATOM 0 HG21 ILE B 679 20.434 -16.221 6.938 1.00 0.00 H new ATOM 0 HG22 ILE B 679 18.659 -16.174 6.812 1.00 0.00 H new ATOM 0 HG23 ILE B 679 19.628 -14.790 6.251 1.00 0.00 H new ATOM 0 HD11 ILE B 679 22.811 -14.413 9.193 1.00 0.00 H new ATOM 0 HD12 ILE B 679 21.739 -15.677 9.843 1.00 0.00 H new ATOM 0 HD13 ILE B 679 22.155 -15.666 8.112 1.00 0.00 H new ATOM 2123 N SER B 680 18.375 -12.490 10.349 1.00 0.00 N ATOM 2124 CA SER B 680 18.203 -12.039 11.725 1.00 0.00 C ATOM 2125 C SER B 680 18.981 -12.929 12.690 1.00 0.00 C ATOM 2126 O SER B 680 19.592 -13.913 12.224 1.00 0.00 O ATOM 2127 CB SER B 680 16.720 -12.033 12.102 1.00 0.00 C ATOM 2128 OG SER B 680 15.947 -11.370 11.117 1.00 0.00 O ATOM 0 H SER B 680 18.800 -11.801 9.729 1.00 0.00 H new ATOM 0 HA SER B 680 18.593 -11.024 11.799 1.00 0.00 H new ATOM 0 HB2 SER B 680 16.367 -13.058 12.217 1.00 0.00 H new ATOM 0 HB3 SER B 680 16.588 -11.540 13.065 1.00 0.00 H new ATOM 0 HG SER B 680 15.003 -11.381 11.380 1.00 0.00 H new TER 2134 SER B 680