USER MOD reduce.3.24.130724 H: found=0, std=0, add=811, rem=0, adj=35 USER MOD reduce.3.24.130724 removed 811 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 35 THR OG1 : rot -136:sc= -0.198! USER MOD Set 1.2: A 56 GLN : amide:sc= -2.56 K(o=-2.7,f=-7.1!) USER MOD Set 1.3: A 81 SER OG : rot 147:sc= 0.0224 USER MOD Set 2.1: A 39 GLN : amide:sc= -4.25! C(o=-6.6!,f=-10!) USER MOD Set 2.2: A 50 SER OG : rot -44:sc= -2.29! USER MOD Set 2.3: A 52 THR OG1 : rot -174:sc= -0.0807! USER MOD Set 3.1: A 4 MET CE :methyl -173:sc= -3.85 (180deg=-1.73) USER MOD Set 3.2: A 27 MET CE :methyl -113:sc= -5.09! (180deg=-5.55!) USER MOD Set 3.3: A 34 HIS : no HE2:sc= -11.6! C(o=-21!,f=-19!) USER MOD Set 4.1: A 24 THR OG1 : rot 180:sc= 0.0385 USER MOD Set 4.2: A 59 HIS : no HD1:sc= -0.129 X(o=-0.09,f=-0.41) USER MOD Set 5.1: A 12 THR OG1 : rot 19:sc= 0.858 USER MOD Set 5.2: A 19 SER OG : rot 35:sc= 0.995 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 132:sc= 0.0267 (180deg=0) USER MOD Single : A 3 GLN : amide:sc= -1.1 X(o=-1.1,f=-1.1) USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 10 ASN : amide:sc= -3.89 K(o=-3.9,f=-6.4!) USER MOD Single : A 13 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.0913) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 18 TYR OH : rot 116:sc= 1.2 USER MOD Single : A 25 MET CE :methyl 173:sc= -0.459 (180deg=-0.517) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 HIS : no HD1:sc= -0.0372 X(o=-0.037,f=-0.0092) USER MOD Single : A 40 TYR OH : rot -27:sc= -0.0101 USER MOD Single : A 42 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0888) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 ASN : amide:sc= -3.93 K(o=-3.9,f=-9.5!) USER MOD Single : A 60 SER OG : rot 180:sc= -0.371 USER MOD Single : A 61 MET CE :methyl 144:sc= -6.44! (180deg=-11.8!) USER MOD Single : A 69 SER OG : rot 180:sc= -0.0952 USER MOD Single : A 70 THR OG1 : rot 79:sc= 0.00374 USER MOD Single : A 72 TYR OH : rot 169:sc= -0.706 USER MOD Single : A 80 THR OG1 : rot 56:sc= 0.116 USER MOD Single : A 83 THR OG1 : rot -35:sc= 0.371 USER MOD Single : A 85 TYR OH : rot 50:sc= -0.191 USER MOD Single : A 86 ASN : amide:sc= -7.63! K(o=-7.6!,f=-1) USER MOD Single : A 90 SER OG : rot -66:sc= -1.78 USER MOD Single : A 93 SER OG : rot 130:sc= -0.537 USER MOD Single : A 97 SER OG : rot -130:sc= 2.31 USER MOD Single : A 100 THR OG1 : rot 139:sc= 0.934 USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 9.919 0.767 -11.867 1.00 0.00 N ATOM 2 CA MET A 1 11.131 1.628 -11.907 1.00 0.00 C ATOM 3 C MET A 1 10.774 3.065 -12.271 1.00 0.00 C ATOM 4 O MET A 1 9.815 3.309 -13.003 1.00 0.00 O ATOM 5 CB MET A 1 12.106 1.051 -12.933 1.00 0.00 C ATOM 6 CG MET A 1 13.486 1.684 -12.883 1.00 0.00 C ATOM 7 SD MET A 1 14.475 1.311 -14.343 1.00 0.00 S ATOM 8 CE MET A 1 14.098 2.726 -15.377 1.00 0.00 C ATOM 0 H1 MET A 1 10.096 -0.107 -12.403 1.00 0.00 H new ATOM 0 H2 MET A 1 9.695 0.529 -10.880 1.00 0.00 H new ATOM 0 H3 MET A 1 9.117 1.276 -12.291 1.00 0.00 H new ATOM 0 HA MET A 1 11.591 1.644 -10.919 1.00 0.00 H new ATOM 0 HB2 MET A 1 12.201 -0.022 -12.768 1.00 0.00 H new ATOM 0 HB3 MET A 1 11.690 1.184 -13.932 1.00 0.00 H new ATOM 0 HG2 MET A 1 13.382 2.765 -12.786 1.00 0.00 H new ATOM 0 HG3 MET A 1 14.010 1.333 -11.994 1.00 0.00 H new ATOM 0 HE1 MET A 1 14.637 2.641 -16.321 1.00 0.00 H new ATOM 0 HE2 MET A 1 13.026 2.758 -15.573 1.00 0.00 H new ATOM 0 HE3 MET A 1 14.401 3.640 -14.867 1.00 0.00 H new ATOM 20 N ILE A 2 11.551 4.013 -11.756 1.00 0.00 N ATOM 21 CA ILE A 2 11.315 5.427 -12.029 1.00 0.00 C ATOM 22 C ILE A 2 12.354 6.299 -11.333 1.00 0.00 C ATOM 23 O ILE A 2 12.891 5.930 -10.288 1.00 0.00 O ATOM 24 CB ILE A 2 9.907 5.860 -11.574 1.00 0.00 C ATOM 25 CG1 ILE A 2 9.687 7.351 -11.851 1.00 0.00 C ATOM 26 CG2 ILE A 2 9.713 5.554 -10.097 1.00 0.00 C ATOM 27 CD1 ILE A 2 8.230 7.760 -11.855 1.00 0.00 C ATOM 0 H ILE A 2 12.349 3.828 -11.148 1.00 0.00 H new ATOM 0 HA ILE A 2 11.395 5.560 -13.108 1.00 0.00 H new ATOM 0 HB ILE A 2 9.169 5.296 -12.144 1.00 0.00 H new ATOM 0 HG12 ILE A 2 10.217 7.934 -11.097 1.00 0.00 H new ATOM 0 HG13 ILE A 2 10.128 7.601 -12.816 1.00 0.00 H new ATOM 0 HG21 ILE A 2 8.715 5.865 -9.789 1.00 0.00 H new ATOM 0 HG22 ILE A 2 9.828 4.483 -9.929 1.00 0.00 H new ATOM 0 HG23 ILE A 2 10.458 6.094 -9.513 1.00 0.00 H new ATOM 0 HD11 ILE A 2 8.153 8.828 -12.058 1.00 0.00 H new ATOM 0 HD12 ILE A 2 7.698 7.205 -12.628 1.00 0.00 H new ATOM 0 HD13 ILE A 2 7.788 7.542 -10.883 1.00 0.00 H new ATOM 39 N GLN A 3 12.633 7.459 -11.919 1.00 0.00 N ATOM 40 CA GLN A 3 13.609 8.386 -11.356 1.00 0.00 C ATOM 41 C GLN A 3 12.947 9.688 -10.926 1.00 0.00 C ATOM 42 O GLN A 3 13.384 10.339 -9.978 1.00 0.00 O ATOM 43 CB GLN A 3 14.716 8.675 -12.371 1.00 0.00 C ATOM 44 CG GLN A 3 14.197 9.011 -13.760 1.00 0.00 C ATOM 45 CD GLN A 3 13.925 7.777 -14.597 1.00 0.00 C ATOM 46 OE1 GLN A 3 14.753 6.870 -14.673 1.00 0.00 O ATOM 47 NE2 GLN A 3 12.758 7.738 -15.230 1.00 0.00 N ATOM 0 H GLN A 3 12.197 7.780 -12.784 1.00 0.00 H new ATOM 0 HA GLN A 3 14.046 7.916 -10.475 1.00 0.00 H new ATOM 0 HB2 GLN A 3 15.322 9.505 -12.008 1.00 0.00 H new ATOM 0 HB3 GLN A 3 15.372 7.807 -12.438 1.00 0.00 H new ATOM 0 HG2 GLN A 3 13.280 9.593 -13.670 1.00 0.00 H new ATOM 0 HG3 GLN A 3 14.925 9.640 -14.273 1.00 0.00 H new ATOM 0 HE21 GLN A 3 12.102 8.513 -15.138 1.00 0.00 H new ATOM 0 HE22 GLN A 3 12.518 6.933 -15.808 1.00 0.00 H new ATOM 56 N MET A 4 11.890 10.058 -11.634 1.00 0.00 N ATOM 57 CA MET A 4 11.156 11.283 -11.340 1.00 0.00 C ATOM 58 C MET A 4 9.744 10.965 -10.851 1.00 0.00 C ATOM 59 O MET A 4 9.482 9.866 -10.363 1.00 0.00 O ATOM 60 CB MET A 4 11.095 12.173 -12.585 1.00 0.00 C ATOM 61 CG MET A 4 11.363 13.642 -12.299 1.00 0.00 C ATOM 62 SD MET A 4 11.685 14.593 -13.798 1.00 0.00 S ATOM 63 CE MET A 4 10.181 15.561 -13.920 1.00 0.00 C ATOM 0 H MET A 4 11.519 9.525 -12.421 1.00 0.00 H new ATOM 0 HA MET A 4 11.682 11.816 -10.548 1.00 0.00 H new ATOM 0 HB2 MET A 4 11.823 11.815 -13.313 1.00 0.00 H new ATOM 0 HB3 MET A 4 10.111 12.075 -13.043 1.00 0.00 H new ATOM 0 HG2 MET A 4 10.506 14.069 -11.779 1.00 0.00 H new ATOM 0 HG3 MET A 4 12.218 13.728 -11.628 1.00 0.00 H new ATOM 0 HE1 MET A 4 10.175 16.107 -14.863 1.00 0.00 H new ATOM 0 HE2 MET A 4 9.317 14.898 -13.880 1.00 0.00 H new ATOM 0 HE3 MET A 4 10.135 16.268 -13.091 1.00 0.00 H new ATOM 73 N ALA A 5 8.840 11.931 -10.986 1.00 0.00 N ATOM 74 CA ALA A 5 7.459 11.754 -10.563 1.00 0.00 C ATOM 75 C ALA A 5 6.528 12.614 -11.415 1.00 0.00 C ATOM 76 O ALA A 5 6.684 13.834 -11.473 1.00 0.00 O ATOM 77 CB ALA A 5 7.314 12.108 -9.090 1.00 0.00 C ATOM 0 H ALA A 5 9.043 12.847 -11.387 1.00 0.00 H new ATOM 0 HA ALA A 5 7.181 10.709 -10.699 1.00 0.00 H new ATOM 0 HB1 ALA A 5 6.277 11.972 -8.784 1.00 0.00 H new ATOM 0 HB2 ALA A 5 7.956 11.459 -8.495 1.00 0.00 H new ATOM 0 HB3 ALA A 5 7.605 13.147 -8.935 1.00 0.00 H new ATOM 83 N PRO A 6 5.550 11.996 -12.099 1.00 0.00 N ATOM 84 CA PRO A 6 4.610 12.727 -12.952 1.00 0.00 C ATOM 85 C PRO A 6 3.829 13.783 -12.175 1.00 0.00 C ATOM 86 O PRO A 6 3.485 13.580 -11.010 1.00 0.00 O ATOM 87 CB PRO A 6 3.672 11.636 -13.480 1.00 0.00 C ATOM 88 CG PRO A 6 4.431 10.364 -13.322 1.00 0.00 C ATOM 89 CD PRO A 6 5.286 10.548 -12.103 1.00 0.00 C ATOM 0 HA PRO A 6 5.120 13.276 -13.743 1.00 0.00 H new ATOM 0 HB2 PRO A 6 2.739 11.611 -12.917 1.00 0.00 H new ATOM 0 HB3 PRO A 6 3.410 11.812 -14.523 1.00 0.00 H new ATOM 0 HG2 PRO A 6 3.755 9.517 -13.202 1.00 0.00 H new ATOM 0 HG3 PRO A 6 5.042 10.161 -14.202 1.00 0.00 H new ATOM 0 HD2 PRO A 6 4.771 10.229 -11.197 1.00 0.00 H new ATOM 0 HD3 PRO A 6 6.208 9.970 -12.166 1.00 0.00 H new ATOM 97 N PRO A 7 3.540 14.932 -12.811 1.00 0.00 N ATOM 98 CA PRO A 7 2.799 16.025 -12.173 1.00 0.00 C ATOM 99 C PRO A 7 1.384 15.621 -11.783 1.00 0.00 C ATOM 100 O PRO A 7 0.939 14.510 -12.075 1.00 0.00 O ATOM 101 CB PRO A 7 2.762 17.117 -13.248 1.00 0.00 C ATOM 102 CG PRO A 7 3.004 16.402 -14.532 1.00 0.00 C ATOM 103 CD PRO A 7 3.913 15.257 -14.198 1.00 0.00 C ATOM 0 HA PRO A 7 3.273 16.340 -11.243 1.00 0.00 H new ATOM 0 HB2 PRO A 7 1.800 17.630 -13.257 1.00 0.00 H new ATOM 0 HB3 PRO A 7 3.525 17.874 -13.068 1.00 0.00 H new ATOM 0 HG2 PRO A 7 2.069 16.045 -14.963 1.00 0.00 H new ATOM 0 HG3 PRO A 7 3.462 17.063 -15.267 1.00 0.00 H new ATOM 0 HD2 PRO A 7 3.758 14.410 -14.867 1.00 0.00 H new ATOM 0 HD3 PRO A 7 4.963 15.538 -14.278 1.00 0.00 H new ATOM 111 N SER A 8 0.678 16.536 -11.129 1.00 0.00 N ATOM 112 CA SER A 8 -0.693 16.286 -10.705 1.00 0.00 C ATOM 113 C SER A 8 -1.646 16.482 -11.876 1.00 0.00 C ATOM 114 O SER A 8 -1.263 17.033 -12.909 1.00 0.00 O ATOM 115 CB SER A 8 -1.076 17.218 -9.554 1.00 0.00 C ATOM 116 OG SER A 8 -1.057 18.573 -9.966 1.00 0.00 O ATOM 0 H SER A 8 1.034 17.459 -10.881 1.00 0.00 H new ATOM 0 HA SER A 8 -0.766 15.256 -10.356 1.00 0.00 H new ATOM 0 HB2 SER A 8 -2.070 16.960 -9.189 1.00 0.00 H new ATOM 0 HB3 SER A 8 -0.385 17.078 -8.723 1.00 0.00 H new ATOM 0 HG SER A 8 -1.307 19.148 -9.213 1.00 0.00 H new ATOM 122 N LEU A 9 -2.884 16.030 -11.722 1.00 0.00 N ATOM 123 CA LEU A 9 -3.866 16.165 -12.787 1.00 0.00 C ATOM 124 C LEU A 9 -5.259 16.446 -12.238 1.00 0.00 C ATOM 125 O LEU A 9 -5.690 15.845 -11.255 1.00 0.00 O ATOM 126 CB LEU A 9 -3.887 14.905 -13.650 1.00 0.00 C ATOM 127 CG LEU A 9 -3.560 15.134 -15.125 1.00 0.00 C ATOM 128 CD1 LEU A 9 -3.811 13.870 -15.933 1.00 0.00 C ATOM 129 CD2 LEU A 9 -4.375 16.293 -15.677 1.00 0.00 C ATOM 0 H LEU A 9 -3.228 15.571 -10.879 1.00 0.00 H new ATOM 0 HA LEU A 9 -3.572 17.017 -13.400 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -3.174 14.189 -13.241 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -4.874 14.448 -13.578 1.00 0.00 H new ATOM 0 HG LEU A 9 -2.503 15.387 -15.207 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -3.572 14.054 -16.980 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -3.182 13.065 -15.554 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -4.859 13.584 -15.845 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -4.130 16.442 -16.728 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -5.437 16.069 -15.581 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -4.143 17.200 -15.118 1.00 0.00 H new ATOM 141 N ASN A 10 -5.957 17.360 -12.899 1.00 0.00 N ATOM 142 CA ASN A 10 -7.311 17.734 -12.510 1.00 0.00 C ATOM 143 C ASN A 10 -8.057 18.315 -13.706 1.00 0.00 C ATOM 144 O ASN A 10 -7.550 19.204 -14.391 1.00 0.00 O ATOM 145 CB ASN A 10 -7.292 18.742 -11.357 1.00 0.00 C ATOM 146 CG ASN A 10 -6.129 19.711 -11.444 1.00 0.00 C ATOM 147 OD1 ASN A 10 -4.971 19.302 -11.532 1.00 0.00 O ATOM 148 ND2 ASN A 10 -6.433 21.004 -11.418 1.00 0.00 N ATOM 0 H ASN A 10 -5.604 17.860 -13.715 1.00 0.00 H new ATOM 0 HA ASN A 10 -7.829 16.838 -12.168 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -8.227 19.303 -11.355 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -7.241 18.204 -10.411 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -5.692 21.703 -11.472 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -7.407 21.297 -11.344 1.00 0.00 H new ATOM 155 N VAL A 11 -9.253 17.795 -13.961 1.00 0.00 N ATOM 156 CA VAL A 11 -10.058 18.253 -15.085 1.00 0.00 C ATOM 157 C VAL A 11 -10.884 19.484 -14.729 1.00 0.00 C ATOM 158 O VAL A 11 -11.750 19.434 -13.856 1.00 0.00 O ATOM 159 CB VAL A 11 -11.006 17.145 -15.582 1.00 0.00 C ATOM 160 CG1 VAL A 11 -11.724 17.587 -16.848 1.00 0.00 C ATOM 161 CG2 VAL A 11 -10.241 15.852 -15.818 1.00 0.00 C ATOM 0 H VAL A 11 -9.685 17.057 -13.405 1.00 0.00 H new ATOM 0 HA VAL A 11 -9.357 18.516 -15.877 1.00 0.00 H new ATOM 0 HB VAL A 11 -11.755 16.960 -14.812 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -12.389 16.792 -17.185 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -12.307 18.485 -16.641 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -10.991 17.801 -17.626 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -10.928 15.082 -16.169 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -9.468 16.018 -16.569 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -9.778 15.528 -14.886 1.00 0.00 H new ATOM 171 N THR A 12 -10.618 20.584 -15.427 1.00 0.00 N ATOM 172 CA THR A 12 -11.342 21.830 -15.205 1.00 0.00 C ATOM 173 C THR A 12 -12.167 22.186 -16.427 1.00 0.00 C ATOM 174 O THR A 12 -11.638 22.379 -17.521 1.00 0.00 O ATOM 175 CB THR A 12 -10.378 22.968 -14.873 1.00 0.00 C ATOM 176 OG1 THR A 12 -9.643 23.353 -16.021 1.00 0.00 O ATOM 177 CG2 THR A 12 -9.382 22.618 -13.787 1.00 0.00 C ATOM 0 H THR A 12 -9.904 20.637 -16.153 1.00 0.00 H new ATOM 0 HA THR A 12 -12.011 21.687 -14.356 1.00 0.00 H new ATOM 0 HB THR A 12 -11.008 23.782 -14.514 1.00 0.00 H new ATOM 0 HG1 THR A 12 -10.107 23.042 -16.826 1.00 0.00 H new ATOM 0 HG21 THR A 12 -8.730 23.472 -13.603 1.00 0.00 H new ATOM 0 HG22 THR A 12 -9.916 22.365 -12.871 1.00 0.00 H new ATOM 0 HG23 THR A 12 -8.782 21.765 -14.104 1.00 0.00 H new ATOM 185 N LYS A 13 -13.469 22.261 -16.223 1.00 0.00 N ATOM 186 CA LYS A 13 -14.396 22.583 -17.302 1.00 0.00 C ATOM 187 C LYS A 13 -14.973 23.987 -17.136 1.00 0.00 C ATOM 188 O LYS A 13 -15.126 24.480 -16.019 1.00 0.00 O ATOM 189 CB LYS A 13 -15.521 21.540 -17.363 1.00 0.00 C ATOM 190 CG LYS A 13 -16.660 21.785 -16.383 1.00 0.00 C ATOM 191 CD LYS A 13 -17.366 20.490 -16.018 1.00 0.00 C ATOM 192 CE LYS A 13 -18.805 20.738 -15.606 1.00 0.00 C ATOM 193 NZ LYS A 13 -18.901 21.730 -14.501 1.00 0.00 N ATOM 0 H LYS A 13 -13.914 22.103 -15.319 1.00 0.00 H new ATOM 0 HA LYS A 13 -13.844 22.561 -18.242 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -15.926 21.520 -18.375 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -15.097 20.555 -17.170 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -16.270 22.256 -15.480 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -17.376 22.480 -16.821 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -17.342 19.809 -16.869 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -16.832 20.001 -15.203 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -19.373 21.095 -16.465 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -19.260 19.799 -15.292 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -19.865 21.723 -14.111 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -18.223 21.482 -13.752 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -18.682 22.679 -14.866 1.00 0.00 H new ATOM 207 N ASP A 14 -15.294 24.622 -18.259 1.00 0.00 N ATOM 208 CA ASP A 14 -15.859 25.966 -18.245 1.00 0.00 C ATOM 209 C ASP A 14 -17.014 26.069 -19.234 1.00 0.00 C ATOM 210 O ASP A 14 -17.184 27.087 -19.904 1.00 0.00 O ATOM 211 CB ASP A 14 -14.786 27.000 -18.588 1.00 0.00 C ATOM 212 CG ASP A 14 -14.221 26.807 -19.983 1.00 0.00 C ATOM 213 OD1 ASP A 14 -15.011 26.810 -20.949 1.00 0.00 O ATOM 214 OD2 ASP A 14 -12.987 26.654 -20.107 1.00 0.00 O ATOM 0 H ASP A 14 -15.172 24.226 -19.191 1.00 0.00 H new ATOM 0 HA ASP A 14 -16.235 26.168 -17.242 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -15.210 28.001 -18.506 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -13.978 26.936 -17.860 1.00 0.00 H new ATOM 219 N GLY A 15 -17.799 25.002 -19.323 1.00 0.00 N ATOM 220 CA GLY A 15 -18.924 24.982 -20.236 1.00 0.00 C ATOM 221 C GLY A 15 -18.753 23.934 -21.315 1.00 0.00 C ATOM 222 O GLY A 15 -18.596 24.261 -22.492 1.00 0.00 O ATOM 0 H GLY A 15 -17.675 24.149 -18.778 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -19.840 24.785 -19.680 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -19.036 25.963 -20.697 1.00 0.00 H new ATOM 226 N ASP A 16 -18.771 22.667 -20.909 1.00 0.00 N ATOM 227 CA ASP A 16 -18.605 21.548 -21.837 1.00 0.00 C ATOM 228 C ASP A 16 -17.129 21.328 -22.151 1.00 0.00 C ATOM 229 O ASP A 16 -16.597 20.235 -21.952 1.00 0.00 O ATOM 230 CB ASP A 16 -19.387 21.787 -23.134 1.00 0.00 C ATOM 231 CG ASP A 16 -20.116 20.545 -23.608 1.00 0.00 C ATOM 232 OD1 ASP A 16 -20.920 19.994 -22.826 1.00 0.00 O ATOM 233 OD2 ASP A 16 -19.884 20.122 -24.760 1.00 0.00 O ATOM 0 H ASP A 16 -18.900 22.387 -19.937 1.00 0.00 H new ATOM 0 HA ASP A 16 -19.002 20.654 -21.356 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -20.107 22.590 -22.978 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -18.701 22.121 -23.912 1.00 0.00 H new ATOM 238 N SER A 17 -16.468 22.375 -22.637 1.00 0.00 N ATOM 239 CA SER A 17 -15.052 22.297 -22.973 1.00 0.00 C ATOM 240 C SER A 17 -14.216 22.015 -21.727 1.00 0.00 C ATOM 241 O SER A 17 -14.062 22.879 -20.863 1.00 0.00 O ATOM 242 CB SER A 17 -14.591 23.600 -23.629 1.00 0.00 C ATOM 243 OG SER A 17 -15.364 23.894 -24.779 1.00 0.00 O ATOM 0 H SER A 17 -16.892 23.287 -22.807 1.00 0.00 H new ATOM 0 HA SER A 17 -14.912 21.476 -23.677 1.00 0.00 H new ATOM 0 HB2 SER A 17 -14.671 24.419 -22.914 1.00 0.00 H new ATOM 0 HB3 SER A 17 -13.540 23.520 -23.905 1.00 0.00 H new ATOM 0 HG SER A 17 -15.050 24.732 -25.178 1.00 0.00 H new ATOM 249 N TYR A 18 -13.686 20.800 -21.638 1.00 0.00 N ATOM 250 CA TYR A 18 -12.871 20.402 -20.495 1.00 0.00 C ATOM 251 C TYR A 18 -11.396 20.715 -20.732 1.00 0.00 C ATOM 252 O TYR A 18 -10.960 20.887 -21.870 1.00 0.00 O ATOM 253 CB TYR A 18 -13.043 18.908 -20.216 1.00 0.00 C ATOM 254 CG TYR A 18 -14.395 18.551 -19.639 1.00 0.00 C ATOM 255 CD1 TYR A 18 -15.475 18.278 -20.467 1.00 0.00 C ATOM 256 CD2 TYR A 18 -14.587 18.488 -18.266 1.00 0.00 C ATOM 257 CE1 TYR A 18 -16.712 17.953 -19.941 1.00 0.00 C ATOM 258 CE2 TYR A 18 -15.819 18.164 -17.732 1.00 0.00 C ATOM 259 CZ TYR A 18 -16.878 17.897 -18.573 1.00 0.00 C ATOM 260 OH TYR A 18 -18.107 17.576 -18.046 1.00 0.00 O ATOM 0 H TYR A 18 -13.806 20.073 -22.344 1.00 0.00 H new ATOM 0 HA TYR A 18 -13.209 20.973 -19.630 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -12.896 18.354 -21.143 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -12.265 18.584 -19.524 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -15.347 18.320 -21.539 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -13.759 18.696 -17.604 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -17.543 17.744 -20.598 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -15.952 18.120 -16.661 1.00 0.00 H new ATOM 0 HH TYR A 18 -18.042 16.729 -17.557 1.00 0.00 H new ATOM 270 N SER A 19 -10.631 20.782 -19.646 1.00 0.00 N ATOM 271 CA SER A 19 -9.202 21.068 -19.726 1.00 0.00 C ATOM 272 C SER A 19 -8.492 20.609 -18.457 1.00 0.00 C ATOM 273 O SER A 19 -9.000 20.794 -17.352 1.00 0.00 O ATOM 274 CB SER A 19 -8.969 22.564 -19.944 1.00 0.00 C ATOM 275 OG SER A 19 -10.075 23.325 -19.490 1.00 0.00 O ATOM 0 H SER A 19 -10.978 20.642 -18.697 1.00 0.00 H new ATOM 0 HA SER A 19 -8.791 20.520 -20.574 1.00 0.00 H new ATOM 0 HB2 SER A 19 -8.068 22.875 -19.415 1.00 0.00 H new ATOM 0 HB3 SER A 19 -8.800 22.758 -21.003 1.00 0.00 H new ATOM 0 HG SER A 19 -10.459 22.902 -18.694 1.00 0.00 H new ATOM 281 N LEU A 20 -7.317 20.006 -18.618 1.00 0.00 N ATOM 282 CA LEU A 20 -6.550 19.521 -17.472 1.00 0.00 C ATOM 283 C LEU A 20 -5.614 20.602 -16.947 1.00 0.00 C ATOM 284 O LEU A 20 -5.273 21.545 -17.662 1.00 0.00 O ATOM 285 CB LEU A 20 -5.736 18.267 -17.831 1.00 0.00 C ATOM 286 CG LEU A 20 -5.966 17.696 -19.233 1.00 0.00 C ATOM 287 CD1 LEU A 20 -5.047 16.510 -19.483 1.00 0.00 C ATOM 288 CD2 LEU A 20 -7.420 17.290 -19.412 1.00 0.00 C ATOM 0 H LEU A 20 -6.877 19.842 -19.523 1.00 0.00 H new ATOM 0 HA LEU A 20 -7.267 19.260 -16.693 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -4.677 18.503 -17.726 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -5.963 17.489 -17.102 1.00 0.00 H new ATOM 0 HG LEU A 20 -5.733 18.472 -19.962 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -5.224 16.117 -20.484 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -4.009 16.830 -19.397 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -5.249 15.732 -18.747 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -7.564 16.887 -20.414 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -7.679 16.531 -18.674 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -8.060 18.161 -19.276 1.00 0.00 H new ATOM 300 N ARG A 21 -5.199 20.457 -15.694 1.00 0.00 N ATOM 301 CA ARG A 21 -4.296 21.418 -15.071 1.00 0.00 C ATOM 302 C ARG A 21 -3.264 20.708 -14.203 1.00 0.00 C ATOM 303 O ARG A 21 -3.472 20.508 -13.007 1.00 0.00 O ATOM 304 CB ARG A 21 -5.084 22.419 -14.234 1.00 0.00 C ATOM 305 CG ARG A 21 -4.246 23.576 -13.718 1.00 0.00 C ATOM 306 CD ARG A 21 -5.068 24.850 -13.604 1.00 0.00 C ATOM 307 NE ARG A 21 -4.311 26.031 -14.007 1.00 0.00 N ATOM 308 CZ ARG A 21 -3.471 26.678 -13.205 1.00 0.00 C ATOM 309 NH1 ARG A 21 -3.273 26.252 -11.964 1.00 0.00 N ATOM 310 NH2 ARG A 21 -2.826 27.749 -13.643 1.00 0.00 N ATOM 0 H ARG A 21 -5.473 19.683 -15.089 1.00 0.00 H new ATOM 0 HA ARG A 21 -3.771 21.953 -15.862 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -5.904 22.815 -14.833 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -5.531 21.899 -13.387 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -3.832 23.320 -12.743 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -3.403 23.744 -14.388 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -5.959 24.762 -14.225 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -5.407 24.971 -12.575 1.00 0.00 H new ATOM 0 HE ARG A 21 -4.433 26.380 -14.958 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -3.766 25.426 -11.623 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -2.628 26.750 -11.351 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -2.973 28.078 -14.597 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -2.182 28.244 -13.026 1.00 0.00 H new ATOM 324 N TRP A 22 -2.154 20.331 -14.819 1.00 0.00 N ATOM 325 CA TRP A 22 -1.080 19.640 -14.114 1.00 0.00 C ATOM 326 C TRP A 22 0.011 20.618 -13.687 1.00 0.00 C ATOM 327 O TRP A 22 0.092 21.734 -14.200 1.00 0.00 O ATOM 328 CB TRP A 22 -0.481 18.546 -15.000 1.00 0.00 C ATOM 329 CG TRP A 22 -0.082 19.035 -16.356 1.00 0.00 C ATOM 330 CD1 TRP A 22 1.136 19.530 -16.725 1.00 0.00 C ATOM 331 CD2 TRP A 22 -0.906 19.084 -17.527 1.00 0.00 C ATOM 332 NE1 TRP A 22 1.121 19.884 -18.050 1.00 0.00 N ATOM 333 CE2 TRP A 22 -0.121 19.622 -18.565 1.00 0.00 C ATOM 334 CE3 TRP A 22 -2.230 18.725 -17.803 1.00 0.00 C ATOM 335 CZ2 TRP A 22 -0.618 19.810 -19.850 1.00 0.00 C ATOM 336 CZ3 TRP A 22 -2.715 18.915 -19.082 1.00 0.00 C ATOM 337 CH2 TRP A 22 -1.914 19.451 -20.086 1.00 0.00 C ATOM 0 H TRP A 22 -1.971 20.492 -15.809 1.00 0.00 H new ATOM 0 HA TRP A 22 -1.503 19.183 -13.219 1.00 0.00 H new ATOM 0 HB2 TRP A 22 0.392 18.123 -14.503 1.00 0.00 H new ATOM 0 HB3 TRP A 22 -1.207 17.740 -15.111 1.00 0.00 H new ATOM 0 HD1 TRP A 22 1.988 19.628 -16.068 1.00 0.00 H new ATOM 0 HE1 TRP A 22 1.907 20.278 -18.568 1.00 0.00 H new ATOM 0 HE3 TRP A 22 -2.860 18.308 -17.031 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 -0.001 20.225 -20.633 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 -3.735 18.642 -19.307 1.00 0.00 H new ATOM 0 HH2 TRP A 22 -2.327 19.586 -21.075 1.00 0.00 H new ATOM 348 N GLU A 23 0.848 20.191 -12.746 1.00 0.00 N ATOM 349 CA GLU A 23 1.935 21.030 -12.251 1.00 0.00 C ATOM 350 C GLU A 23 3.145 20.183 -11.871 1.00 0.00 C ATOM 351 O GLU A 23 3.017 19.179 -11.170 1.00 0.00 O ATOM 352 CB GLU A 23 1.469 21.848 -11.043 1.00 0.00 C ATOM 353 CG GLU A 23 1.895 23.307 -11.095 1.00 0.00 C ATOM 354 CD GLU A 23 0.900 24.230 -10.416 1.00 0.00 C ATOM 355 OE1 GLU A 23 0.682 24.073 -9.196 1.00 0.00 O ATOM 356 OE2 GLU A 23 0.341 25.109 -11.104 1.00 0.00 O ATOM 0 H GLU A 23 0.795 19.270 -12.311 1.00 0.00 H new ATOM 0 HA GLU A 23 2.227 21.711 -13.050 1.00 0.00 H new ATOM 0 HB2 GLU A 23 0.382 21.798 -10.978 1.00 0.00 H new ATOM 0 HB3 GLU A 23 1.864 21.395 -10.134 1.00 0.00 H new ATOM 0 HG2 GLU A 23 2.869 23.414 -10.618 1.00 0.00 H new ATOM 0 HG3 GLU A 23 2.015 23.610 -12.135 1.00 0.00 H new ATOM 363 N THR A 24 4.321 20.591 -12.341 1.00 0.00 N ATOM 364 CA THR A 24 5.554 19.868 -12.051 1.00 0.00 C ATOM 365 C THR A 24 6.424 20.638 -11.061 1.00 0.00 C ATOM 366 O THR A 24 6.601 21.849 -11.185 1.00 0.00 O ATOM 367 CB THR A 24 6.346 19.622 -13.337 1.00 0.00 C ATOM 368 OG1 THR A 24 6.152 20.681 -14.258 1.00 0.00 O ATOM 369 CG2 THR A 24 5.978 18.333 -14.039 1.00 0.00 C ATOM 0 H THR A 24 4.445 21.419 -12.924 1.00 0.00 H new ATOM 0 HA THR A 24 5.278 18.912 -11.606 1.00 0.00 H new ATOM 0 HB THR A 24 7.387 19.557 -13.020 1.00 0.00 H new ATOM 0 HG1 THR A 24 6.668 20.505 -15.072 1.00 0.00 H new ATOM 0 HG21 THR A 24 6.579 18.226 -14.942 1.00 0.00 H new ATOM 0 HG22 THR A 24 6.167 17.490 -13.375 1.00 0.00 H new ATOM 0 HG23 THR A 24 4.922 18.353 -14.307 1.00 0.00 H new ATOM 377 N MET A 25 6.982 19.921 -10.091 1.00 0.00 N ATOM 378 CA MET A 25 7.855 20.531 -9.094 1.00 0.00 C ATOM 379 C MET A 25 9.018 19.609 -8.754 1.00 0.00 C ATOM 380 O MET A 25 9.672 19.774 -7.723 1.00 0.00 O ATOM 381 CB MET A 25 7.085 20.877 -7.822 1.00 0.00 C ATOM 382 CG MET A 25 6.075 21.997 -8.006 1.00 0.00 C ATOM 383 SD MET A 25 4.719 21.910 -6.821 1.00 0.00 S ATOM 384 CE MET A 25 3.311 21.886 -7.926 1.00 0.00 C ATOM 0 H MET A 25 6.845 18.917 -9.974 1.00 0.00 H new ATOM 0 HA MET A 25 8.247 21.452 -9.525 1.00 0.00 H new ATOM 0 HB2 MET A 25 6.566 19.986 -7.468 1.00 0.00 H new ATOM 0 HB3 MET A 25 7.794 21.163 -7.045 1.00 0.00 H new ATOM 0 HG2 MET A 25 6.580 22.957 -7.904 1.00 0.00 H new ATOM 0 HG3 MET A 25 5.672 21.955 -9.018 1.00 0.00 H new ATOM 0 HE1 MET A 25 2.401 21.709 -7.352 1.00 0.00 H new ATOM 0 HE2 MET A 25 3.235 22.844 -8.439 1.00 0.00 H new ATOM 0 HE3 MET A 25 3.438 21.090 -8.660 1.00 0.00 H new ATOM 394 N LYS A 26 9.284 18.646 -9.632 1.00 0.00 N ATOM 395 CA LYS A 26 10.384 17.713 -9.431 1.00 0.00 C ATOM 396 C LYS A 26 11.669 18.260 -10.050 1.00 0.00 C ATOM 397 O LYS A 26 12.639 17.526 -10.242 1.00 0.00 O ATOM 398 CB LYS A 26 10.048 16.355 -10.051 1.00 0.00 C ATOM 399 CG LYS A 26 8.574 15.988 -9.976 1.00 0.00 C ATOM 400 CD LYS A 26 8.043 16.079 -8.554 1.00 0.00 C ATOM 401 CE LYS A 26 6.611 16.589 -8.530 1.00 0.00 C ATOM 402 NZ LYS A 26 5.662 15.555 -8.030 1.00 0.00 N ATOM 0 H LYS A 26 8.752 18.493 -10.489 1.00 0.00 H new ATOM 0 HA LYS A 26 10.535 17.587 -8.359 1.00 0.00 H new ATOM 0 HB2 LYS A 26 10.358 16.357 -11.096 1.00 0.00 H new ATOM 0 HB3 LYS A 26 10.630 15.583 -9.547 1.00 0.00 H new ATOM 0 HG2 LYS A 26 8.000 16.653 -10.622 1.00 0.00 H new ATOM 0 HG3 LYS A 26 8.431 14.975 -10.354 1.00 0.00 H new ATOM 0 HD2 LYS A 26 8.089 15.097 -8.083 1.00 0.00 H new ATOM 0 HD3 LYS A 26 8.678 16.744 -7.968 1.00 0.00 H new ATOM 0 HE2 LYS A 26 6.551 17.474 -7.896 1.00 0.00 H new ATOM 0 HE3 LYS A 26 6.318 16.896 -9.534 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 4.696 15.941 -8.029 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 5.700 14.720 -8.649 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 5.926 15.280 -7.062 1.00 0.00 H new ATOM 416 N MET A 27 11.665 19.554 -10.371 1.00 0.00 N ATOM 417 CA MET A 27 12.820 20.201 -10.976 1.00 0.00 C ATOM 418 C MET A 27 13.502 21.109 -9.965 1.00 0.00 C ATOM 419 O MET A 27 14.675 20.932 -9.643 1.00 0.00 O ATOM 420 CB MET A 27 12.393 21.020 -12.203 1.00 0.00 C ATOM 421 CG MET A 27 11.092 20.555 -12.845 1.00 0.00 C ATOM 422 SD MET A 27 11.045 18.772 -13.122 1.00 0.00 S ATOM 423 CE MET A 27 9.457 18.600 -13.927 1.00 0.00 C ATOM 0 H MET A 27 10.869 20.174 -10.220 1.00 0.00 H new ATOM 0 HA MET A 27 13.521 19.429 -11.293 1.00 0.00 H new ATOM 0 HB2 MET A 27 12.287 22.064 -11.909 1.00 0.00 H new ATOM 0 HB3 MET A 27 13.188 20.978 -12.948 1.00 0.00 H new ATOM 0 HG2 MET A 27 10.255 20.841 -12.207 1.00 0.00 H new ATOM 0 HG3 MET A 27 10.958 21.069 -13.797 1.00 0.00 H new ATOM 0 HE1 MET A 27 8.777 18.049 -13.277 1.00 0.00 H new ATOM 0 HE2 MET A 27 9.043 19.588 -14.130 1.00 0.00 H new ATOM 0 HE3 MET A 27 9.581 18.058 -14.865 1.00 0.00 H new ATOM 433 N ARG A 28 12.751 22.079 -9.458 1.00 0.00 N ATOM 434 CA ARG A 28 13.275 23.014 -8.470 1.00 0.00 C ATOM 435 C ARG A 28 14.398 23.880 -9.035 1.00 0.00 C ATOM 436 O ARG A 28 15.072 24.586 -8.286 1.00 0.00 O ATOM 437 CB ARG A 28 13.800 22.254 -7.256 1.00 0.00 C ATOM 438 CG ARG A 28 12.799 22.167 -6.114 1.00 0.00 C ATOM 439 CD ARG A 28 13.126 21.025 -5.165 1.00 0.00 C ATOM 440 NE ARG A 28 12.104 20.863 -4.136 1.00 0.00 N ATOM 441 CZ ARG A 28 12.212 20.019 -3.115 1.00 0.00 C ATOM 442 NH1 ARG A 28 13.291 19.259 -2.991 1.00 0.00 N ATOM 443 NH2 ARG A 28 11.241 19.935 -2.216 1.00 0.00 N ATOM 0 H ARG A 28 11.777 22.239 -9.715 1.00 0.00 H new ATOM 0 HA ARG A 28 12.452 23.668 -8.182 1.00 0.00 H new ATOM 0 HB2 ARG A 28 14.079 21.246 -7.562 1.00 0.00 H new ATOM 0 HB3 ARG A 28 14.707 22.741 -6.897 1.00 0.00 H new ATOM 0 HG2 ARG A 28 12.793 23.107 -5.563 1.00 0.00 H new ATOM 0 HG3 ARG A 28 11.796 22.028 -6.519 1.00 0.00 H new ATOM 0 HD2 ARG A 28 13.221 20.098 -5.731 1.00 0.00 H new ATOM 0 HD3 ARG A 28 14.091 21.210 -4.693 1.00 0.00 H new ATOM 0 HE ARG A 28 11.259 21.430 -4.204 1.00 0.00 H new ATOM 0 HH11 ARG A 28 14.041 19.321 -3.680 1.00 0.00 H new ATOM 0 HH12 ARG A 28 13.372 18.612 -2.207 1.00 0.00 H new ATOM 0 HH21 ARG A 28 10.409 20.519 -2.307 1.00 0.00 H new ATOM 0 HH22 ARG A 28 11.326 19.287 -1.433 1.00 0.00 H new ATOM 457 N TYR A 29 14.610 23.830 -10.346 1.00 0.00 N ATOM 458 CA TYR A 29 15.669 24.625 -10.952 1.00 0.00 C ATOM 459 C TYR A 29 15.142 25.465 -12.121 1.00 0.00 C ATOM 460 O TYR A 29 13.934 25.661 -12.254 1.00 0.00 O ATOM 461 CB TYR A 29 16.852 23.737 -11.379 1.00 0.00 C ATOM 462 CG TYR A 29 16.574 22.249 -11.430 1.00 0.00 C ATOM 463 CD1 TYR A 29 15.699 21.709 -12.364 1.00 0.00 C ATOM 464 CD2 TYR A 29 17.211 21.381 -10.551 1.00 0.00 C ATOM 465 CE1 TYR A 29 15.465 20.346 -12.417 1.00 0.00 C ATOM 466 CE2 TYR A 29 16.982 20.020 -10.597 1.00 0.00 C ATOM 467 CZ TYR A 29 16.109 19.507 -11.532 1.00 0.00 C ATOM 468 OH TYR A 29 15.880 18.151 -11.582 1.00 0.00 O ATOM 0 H TYR A 29 14.073 23.258 -10.998 1.00 0.00 H new ATOM 0 HA TYR A 29 16.035 25.321 -10.197 1.00 0.00 H new ATOM 0 HB2 TYR A 29 17.186 24.059 -12.365 1.00 0.00 H new ATOM 0 HB3 TYR A 29 17.679 23.910 -10.690 1.00 0.00 H new ATOM 0 HD1 TYR A 29 15.194 22.363 -13.059 1.00 0.00 H new ATOM 0 HD2 TYR A 29 17.898 21.778 -9.818 1.00 0.00 H new ATOM 0 HE1 TYR A 29 14.781 19.941 -13.148 1.00 0.00 H new ATOM 0 HE2 TYR A 29 17.484 19.361 -9.904 1.00 0.00 H new ATOM 0 HH TYR A 29 16.412 17.704 -10.892 1.00 0.00 H new ATOM 478 N GLU A 30 16.057 25.984 -12.947 1.00 0.00 N ATOM 479 CA GLU A 30 15.699 26.831 -14.087 1.00 0.00 C ATOM 480 C GLU A 30 14.424 26.361 -14.778 1.00 0.00 C ATOM 481 O GLU A 30 14.016 25.208 -14.640 1.00 0.00 O ATOM 482 CB GLU A 30 16.845 26.861 -15.100 1.00 0.00 C ATOM 483 CG GLU A 30 17.901 27.911 -14.794 1.00 0.00 C ATOM 484 CD GLU A 30 18.945 28.023 -15.887 1.00 0.00 C ATOM 485 OE1 GLU A 30 18.670 27.570 -17.020 1.00 0.00 O ATOM 486 OE2 GLU A 30 20.037 28.561 -15.613 1.00 0.00 O ATOM 0 H GLU A 30 17.060 25.829 -12.844 1.00 0.00 H new ATOM 0 HA GLU A 30 15.517 27.833 -13.698 1.00 0.00 H new ATOM 0 HB2 GLU A 30 17.318 25.880 -15.129 1.00 0.00 H new ATOM 0 HB3 GLU A 30 16.436 27.048 -16.093 1.00 0.00 H new ATOM 0 HG2 GLU A 30 17.418 28.878 -14.658 1.00 0.00 H new ATOM 0 HG3 GLU A 30 18.391 27.664 -13.852 1.00 0.00 H new ATOM 493 N HIS A 31 13.806 27.266 -15.533 1.00 0.00 N ATOM 494 CA HIS A 31 12.586 26.951 -16.262 1.00 0.00 C ATOM 495 C HIS A 31 12.891 25.978 -17.393 1.00 0.00 C ATOM 496 O HIS A 31 12.742 26.309 -18.569 1.00 0.00 O ATOM 497 CB HIS A 31 11.956 28.225 -16.828 1.00 0.00 C ATOM 498 CG HIS A 31 11.434 29.154 -15.777 1.00 0.00 C ATOM 499 ND1 HIS A 31 10.097 29.475 -15.651 1.00 0.00 N ATOM 500 CD2 HIS A 31 12.076 29.836 -14.799 1.00 0.00 C ATOM 501 CE1 HIS A 31 9.940 30.313 -14.642 1.00 0.00 C ATOM 502 NE2 HIS A 31 11.125 30.547 -14.109 1.00 0.00 N ATOM 0 H HIS A 31 14.133 28.225 -15.654 1.00 0.00 H new ATOM 0 HA HIS A 31 11.880 26.489 -15.572 1.00 0.00 H new ATOM 0 HB2 HIS A 31 12.698 28.751 -17.430 1.00 0.00 H new ATOM 0 HB3 HIS A 31 11.140 27.951 -17.496 1.00 0.00 H new ATOM 0 HD2 HIS A 31 13.137 29.823 -14.599 1.00 0.00 H new ATOM 0 HE1 HIS A 31 9.003 30.735 -14.310 1.00 0.00 H new ATOM 0 HE2 HIS A 31 11.305 31.158 -13.312 1.00 0.00 H new ATOM 511 N ILE A 32 13.326 24.780 -17.027 1.00 0.00 N ATOM 512 CA ILE A 32 13.658 23.760 -18.009 1.00 0.00 C ATOM 513 C ILE A 32 12.477 23.507 -18.939 1.00 0.00 C ATOM 514 O ILE A 32 11.325 23.730 -18.567 1.00 0.00 O ATOM 515 CB ILE A 32 14.053 22.431 -17.335 1.00 0.00 C ATOM 516 CG1 ILE A 32 15.131 22.642 -16.264 1.00 0.00 C ATOM 517 CG2 ILE A 32 14.532 21.436 -18.379 1.00 0.00 C ATOM 518 CD1 ILE A 32 15.454 21.378 -15.496 1.00 0.00 C ATOM 0 H ILE A 32 13.457 24.492 -16.057 1.00 0.00 H new ATOM 0 HA ILE A 32 14.508 24.132 -18.581 1.00 0.00 H new ATOM 0 HB ILE A 32 13.168 22.030 -16.840 1.00 0.00 H new ATOM 0 HG12 ILE A 32 16.039 23.015 -16.738 1.00 0.00 H new ATOM 0 HG13 ILE A 32 14.797 23.410 -15.566 1.00 0.00 H new ATOM 0 HG21 ILE A 32 14.808 20.501 -17.891 1.00 0.00 H new ATOM 0 HG22 ILE A 32 13.733 21.249 -19.096 1.00 0.00 H new ATOM 0 HG23 ILE A 32 15.399 21.844 -18.899 1.00 0.00 H new ATOM 0 HD11 ILE A 32 16.223 21.590 -14.753 1.00 0.00 H new ATOM 0 HD12 ILE A 32 14.556 21.017 -14.996 1.00 0.00 H new ATOM 0 HD13 ILE A 32 15.817 20.616 -16.186 1.00 0.00 H new ATOM 530 N ASP A 33 12.767 23.037 -20.146 1.00 0.00 N ATOM 531 CA ASP A 33 11.720 22.749 -21.122 1.00 0.00 C ATOM 532 C ASP A 33 10.638 21.871 -20.501 1.00 0.00 C ATOM 533 O ASP A 33 9.528 22.329 -20.229 1.00 0.00 O ATOM 534 CB ASP A 33 12.317 22.058 -22.351 1.00 0.00 C ATOM 535 CG ASP A 33 11.256 21.598 -23.333 1.00 0.00 C ATOM 536 OD1 ASP A 33 10.110 22.085 -23.241 1.00 0.00 O ATOM 537 OD2 ASP A 33 11.572 20.748 -24.192 1.00 0.00 O ATOM 0 H ASP A 33 13.714 22.847 -20.473 1.00 0.00 H new ATOM 0 HA ASP A 33 11.268 23.691 -21.432 1.00 0.00 H new ATOM 0 HB2 ASP A 33 12.999 22.744 -22.853 1.00 0.00 H new ATOM 0 HB3 ASP A 33 12.907 21.199 -22.030 1.00 0.00 H new ATOM 542 N HIS A 34 10.977 20.608 -20.277 1.00 0.00 N ATOM 543 CA HIS A 34 10.048 19.653 -19.683 1.00 0.00 C ATOM 544 C HIS A 34 8.804 19.483 -20.544 1.00 0.00 C ATOM 545 O HIS A 34 7.879 20.292 -20.487 1.00 0.00 O ATOM 546 CB HIS A 34 9.649 20.096 -18.274 1.00 0.00 C ATOM 547 CG HIS A 34 10.675 19.770 -17.236 1.00 0.00 C ATOM 548 ND1 HIS A 34 11.348 20.732 -16.514 1.00 0.00 N ATOM 549 CD2 HIS A 34 11.159 18.579 -16.810 1.00 0.00 C ATOM 550 CE1 HIS A 34 12.201 20.146 -15.693 1.00 0.00 C ATOM 551 NE2 HIS A 34 12.104 18.841 -15.854 1.00 0.00 N ATOM 0 H HIS A 34 11.893 20.219 -20.499 1.00 0.00 H new ATOM 0 HA HIS A 34 10.557 18.691 -19.623 1.00 0.00 H new ATOM 0 HB2 HIS A 34 9.474 21.172 -18.275 1.00 0.00 H new ATOM 0 HB3 HIS A 34 8.706 19.620 -18.005 1.00 0.00 H new ATOM 0 HD1 HIS A 34 11.209 21.739 -16.600 1.00 0.00 H new ATOM 0 HD2 HIS A 34 10.856 17.603 -17.160 1.00 0.00 H new ATOM 0 HE1 HIS A 34 12.865 20.650 -15.007 1.00 0.00 H new ATOM 560 N THR A 35 8.789 18.417 -21.335 1.00 0.00 N ATOM 561 CA THR A 35 7.658 18.127 -22.204 1.00 0.00 C ATOM 562 C THR A 35 6.629 17.280 -21.464 1.00 0.00 C ATOM 563 O THR A 35 6.946 16.636 -20.465 1.00 0.00 O ATOM 564 CB THR A 35 8.131 17.401 -23.464 1.00 0.00 C ATOM 565 OG1 THR A 35 8.944 18.250 -24.256 1.00 0.00 O ATOM 566 CG2 THR A 35 6.997 16.909 -24.336 1.00 0.00 C ATOM 0 H THR A 35 9.549 17.739 -21.392 1.00 0.00 H new ATOM 0 HA THR A 35 7.192 19.068 -22.497 1.00 0.00 H new ATOM 0 HB THR A 35 8.691 16.537 -23.105 1.00 0.00 H new ATOM 0 HG1 THR A 35 8.683 18.168 -25.197 1.00 0.00 H new ATOM 0 HG21 THR A 35 7.404 16.404 -25.212 1.00 0.00 H new ATOM 0 HG22 THR A 35 6.379 16.212 -23.770 1.00 0.00 H new ATOM 0 HG23 THR A 35 6.390 17.756 -24.655 1.00 0.00 H new ATOM 574 N PHE A 36 5.395 17.288 -21.954 1.00 0.00 N ATOM 575 CA PHE A 36 4.326 16.521 -21.326 1.00 0.00 C ATOM 576 C PHE A 36 3.459 15.823 -22.366 1.00 0.00 C ATOM 577 O PHE A 36 2.726 16.471 -23.114 1.00 0.00 O ATOM 578 CB PHE A 36 3.460 17.435 -20.461 1.00 0.00 C ATOM 579 CG PHE A 36 4.247 18.290 -19.512 1.00 0.00 C ATOM 580 CD1 PHE A 36 4.818 17.738 -18.378 1.00 0.00 C ATOM 581 CD2 PHE A 36 4.414 19.643 -19.753 1.00 0.00 C ATOM 582 CE1 PHE A 36 5.541 18.519 -17.500 1.00 0.00 C ATOM 583 CE2 PHE A 36 5.138 20.432 -18.879 1.00 0.00 C ATOM 584 CZ PHE A 36 5.702 19.868 -17.749 1.00 0.00 C ATOM 0 H PHE A 36 5.111 17.814 -22.780 1.00 0.00 H new ATOM 0 HA PHE A 36 4.787 15.758 -20.699 1.00 0.00 H new ATOM 0 HB2 PHE A 36 2.866 18.079 -21.110 1.00 0.00 H new ATOM 0 HB3 PHE A 36 2.760 16.825 -19.891 1.00 0.00 H new ATOM 0 HD1 PHE A 36 4.696 16.684 -18.178 1.00 0.00 H new ATOM 0 HD2 PHE A 36 3.974 20.087 -20.634 1.00 0.00 H new ATOM 0 HE1 PHE A 36 5.981 18.076 -16.619 1.00 0.00 H new ATOM 0 HE2 PHE A 36 5.263 21.486 -19.078 1.00 0.00 H new ATOM 0 HZ PHE A 36 6.267 20.481 -17.063 1.00 0.00 H new ATOM 594 N GLU A 37 3.539 14.498 -22.401 1.00 0.00 N ATOM 595 CA GLU A 37 2.751 13.710 -23.340 1.00 0.00 C ATOM 596 C GLU A 37 1.367 13.428 -22.765 1.00 0.00 C ATOM 597 O GLU A 37 1.212 12.582 -21.883 1.00 0.00 O ATOM 598 CB GLU A 37 3.462 12.394 -23.664 1.00 0.00 C ATOM 599 CG GLU A 37 3.712 12.187 -25.149 1.00 0.00 C ATOM 600 CD GLU A 37 4.577 13.278 -25.750 1.00 0.00 C ATOM 601 OE1 GLU A 37 4.792 14.305 -25.073 1.00 0.00 O ATOM 602 OE2 GLU A 37 5.040 13.103 -26.897 1.00 0.00 O ATOM 0 H GLU A 37 4.142 13.947 -21.790 1.00 0.00 H new ATOM 0 HA GLU A 37 2.640 14.283 -24.261 1.00 0.00 H new ATOM 0 HB2 GLU A 37 4.415 12.366 -23.136 1.00 0.00 H new ATOM 0 HB3 GLU A 37 2.864 11.565 -23.286 1.00 0.00 H new ATOM 0 HG2 GLU A 37 4.193 11.221 -25.302 1.00 0.00 H new ATOM 0 HG3 GLU A 37 2.757 12.154 -25.674 1.00 0.00 H new ATOM 609 N ILE A 38 0.366 14.147 -23.263 1.00 0.00 N ATOM 610 CA ILE A 38 -1.001 13.977 -22.791 1.00 0.00 C ATOM 611 C ILE A 38 -1.733 12.907 -23.594 1.00 0.00 C ATOM 612 O ILE A 38 -1.427 12.669 -24.762 1.00 0.00 O ATOM 613 CB ILE A 38 -1.791 15.301 -22.862 1.00 0.00 C ATOM 614 CG1 ILE A 38 -1.122 16.358 -21.982 1.00 0.00 C ATOM 615 CG2 ILE A 38 -3.238 15.092 -22.433 1.00 0.00 C ATOM 616 CD1 ILE A 38 -0.630 17.566 -22.746 1.00 0.00 C ATOM 0 H ILE A 38 0.477 14.852 -23.992 1.00 0.00 H new ATOM 0 HA ILE A 38 -0.939 13.660 -21.750 1.00 0.00 H new ATOM 0 HB ILE A 38 -1.791 15.649 -23.895 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -1.831 16.685 -21.221 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -0.281 15.903 -21.460 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -3.775 16.039 -22.491 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -3.712 14.365 -23.093 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -3.264 14.723 -21.408 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -0.168 18.271 -22.054 1.00 0.00 H new ATOM 0 HD12 ILE A 38 0.104 17.253 -23.489 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -1.470 18.047 -23.246 1.00 0.00 H new ATOM 628 N GLN A 39 -2.701 12.269 -22.951 1.00 0.00 N ATOM 629 CA GLN A 39 -3.490 11.223 -23.585 1.00 0.00 C ATOM 630 C GLN A 39 -4.836 11.085 -22.884 1.00 0.00 C ATOM 631 O GLN A 39 -4.891 10.874 -21.674 1.00 0.00 O ATOM 632 CB GLN A 39 -2.735 9.894 -23.543 1.00 0.00 C ATOM 633 CG GLN A 39 -3.445 8.767 -24.272 1.00 0.00 C ATOM 634 CD GLN A 39 -3.058 8.686 -25.736 1.00 0.00 C ATOM 635 OE1 GLN A 39 -3.829 9.066 -26.617 1.00 0.00 O ATOM 636 NE2 GLN A 39 -1.858 8.183 -26.003 1.00 0.00 N ATOM 0 H GLN A 39 -2.960 12.460 -21.983 1.00 0.00 H new ATOM 0 HA GLN A 39 -3.662 11.495 -24.626 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -1.747 10.033 -23.982 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -2.584 9.604 -22.503 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -3.211 7.820 -23.785 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -4.523 8.909 -24.192 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -1.251 7.880 -25.241 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -1.544 8.100 -26.970 1.00 0.00 H new ATOM 645 N TYR A 40 -5.919 11.216 -23.642 1.00 0.00 N ATOM 646 CA TYR A 40 -7.255 11.115 -23.070 1.00 0.00 C ATOM 647 C TYR A 40 -8.081 10.036 -23.763 1.00 0.00 C ATOM 648 O TYR A 40 -8.448 10.170 -24.930 1.00 0.00 O ATOM 649 CB TYR A 40 -7.973 12.466 -23.149 1.00 0.00 C ATOM 650 CG TYR A 40 -8.002 13.070 -24.535 1.00 0.00 C ATOM 651 CD1 TYR A 40 -6.837 13.523 -25.141 1.00 0.00 C ATOM 652 CD2 TYR A 40 -9.195 13.193 -25.235 1.00 0.00 C ATOM 653 CE1 TYR A 40 -6.859 14.078 -26.406 1.00 0.00 C ATOM 654 CE2 TYR A 40 -9.226 13.748 -26.500 1.00 0.00 C ATOM 655 CZ TYR A 40 -8.056 14.188 -27.081 1.00 0.00 C ATOM 656 OH TYR A 40 -8.084 14.740 -28.342 1.00 0.00 O ATOM 0 H TYR A 40 -5.898 11.391 -24.647 1.00 0.00 H new ATOM 0 HA TYR A 40 -7.147 10.831 -22.023 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -8.997 12.342 -22.797 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -7.485 13.165 -22.470 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -5.898 13.440 -24.614 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -10.114 12.849 -24.783 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -5.944 14.424 -26.863 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -10.162 13.837 -27.031 1.00 0.00 H new ATOM 0 HH TYR A 40 -7.335 15.364 -28.442 1.00 0.00 H new ATOM 666 N ARG A 41 -8.378 8.972 -23.024 1.00 0.00 N ATOM 667 CA ARG A 41 -9.171 7.867 -23.543 1.00 0.00 C ATOM 668 C ARG A 41 -10.581 7.933 -22.976 1.00 0.00 C ATOM 669 O ARG A 41 -10.992 8.966 -22.446 1.00 0.00 O ATOM 670 CB ARG A 41 -8.519 6.527 -23.185 1.00 0.00 C ATOM 671 CG ARG A 41 -8.654 6.152 -21.719 1.00 0.00 C ATOM 672 CD ARG A 41 -9.745 5.116 -21.505 1.00 0.00 C ATOM 673 NE ARG A 41 -9.414 4.190 -20.426 1.00 0.00 N ATOM 674 CZ ARG A 41 -10.001 3.008 -20.264 1.00 0.00 C ATOM 675 NH1 ARG A 41 -10.942 2.611 -21.108 1.00 0.00 N ATOM 676 NH2 ARG A 41 -9.647 2.224 -19.256 1.00 0.00 N ATOM 0 H ARG A 41 -8.078 8.853 -22.056 1.00 0.00 H new ATOM 0 HA ARG A 41 -9.220 7.948 -24.629 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -8.967 5.742 -23.794 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -7.461 6.568 -23.444 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -7.704 5.762 -21.354 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -8.878 7.044 -21.134 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -10.684 5.620 -21.275 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -9.901 4.557 -22.428 1.00 0.00 H new ATOM 0 HE ARG A 41 -8.692 4.465 -19.760 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -11.218 3.213 -21.884 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -11.391 1.704 -20.982 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -8.924 2.527 -18.604 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -10.098 1.317 -19.132 1.00 0.00 H new ATOM 690 N LYS A 42 -11.323 6.839 -23.084 1.00 0.00 N ATOM 691 CA LYS A 42 -12.686 6.806 -22.571 1.00 0.00 C ATOM 692 C LYS A 42 -13.024 5.447 -21.978 1.00 0.00 C ATOM 693 O LYS A 42 -12.504 4.418 -22.409 1.00 0.00 O ATOM 694 CB LYS A 42 -13.686 7.146 -23.675 1.00 0.00 C ATOM 695 CG LYS A 42 -13.202 8.229 -24.624 1.00 0.00 C ATOM 696 CD LYS A 42 -12.547 7.630 -25.858 1.00 0.00 C ATOM 697 CE LYS A 42 -11.928 8.705 -26.734 1.00 0.00 C ATOM 698 NZ LYS A 42 -10.949 8.139 -27.702 1.00 0.00 N ATOM 0 H LYS A 42 -11.008 5.971 -23.518 1.00 0.00 H new ATOM 0 HA LYS A 42 -12.754 7.554 -21.781 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -13.903 6.244 -24.247 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -14.622 7.467 -23.219 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -14.042 8.855 -24.924 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -12.491 8.875 -24.109 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -11.779 6.919 -25.555 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -13.288 7.074 -26.431 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -12.715 9.227 -27.278 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -11.431 9.444 -26.105 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -10.463 8.914 -28.198 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -10.250 7.563 -27.192 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -11.449 7.545 -28.394 1.00 0.00 H new ATOM 712 N ASP A 43 -13.914 5.455 -20.994 1.00 0.00 N ATOM 713 CA ASP A 43 -14.346 4.228 -20.343 1.00 0.00 C ATOM 714 C ASP A 43 -14.965 3.276 -21.367 1.00 0.00 C ATOM 715 O ASP A 43 -14.988 2.062 -21.166 1.00 0.00 O ATOM 716 CB ASP A 43 -15.343 4.561 -19.225 1.00 0.00 C ATOM 717 CG ASP A 43 -16.120 3.352 -18.734 1.00 0.00 C ATOM 718 OD1 ASP A 43 -15.481 2.379 -18.279 1.00 0.00 O ATOM 719 OD2 ASP A 43 -17.367 3.380 -18.802 1.00 0.00 O ATOM 0 H ASP A 43 -14.351 6.301 -20.629 1.00 0.00 H new ATOM 0 HA ASP A 43 -13.484 3.729 -19.901 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -14.804 5.003 -18.387 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -16.045 5.313 -19.585 1.00 0.00 H new ATOM 724 N THR A 44 -15.457 3.837 -22.470 1.00 0.00 N ATOM 725 CA THR A 44 -16.064 3.041 -23.529 1.00 0.00 C ATOM 726 C THR A 44 -14.994 2.522 -24.483 1.00 0.00 C ATOM 727 O THR A 44 -15.052 1.379 -24.938 1.00 0.00 O ATOM 728 CB THR A 44 -17.089 3.876 -24.298 1.00 0.00 C ATOM 729 OG1 THR A 44 -17.774 3.080 -25.248 1.00 0.00 O ATOM 730 CG2 THR A 44 -16.474 5.046 -25.036 1.00 0.00 C ATOM 0 H THR A 44 -15.446 4.841 -22.651 1.00 0.00 H new ATOM 0 HA THR A 44 -16.571 2.190 -23.074 1.00 0.00 H new ATOM 0 HB THR A 44 -17.772 4.263 -23.542 1.00 0.00 H new ATOM 0 HG1 THR A 44 -18.426 3.632 -25.728 1.00 0.00 H new ATOM 0 HG21 THR A 44 -17.255 5.597 -25.560 1.00 0.00 H new ATOM 0 HG22 THR A 44 -15.980 5.707 -24.323 1.00 0.00 H new ATOM 0 HG23 THR A 44 -15.743 4.678 -25.756 1.00 0.00 H new ATOM 738 N ALA A 45 -14.014 3.370 -24.776 1.00 0.00 N ATOM 739 CA ALA A 45 -12.923 3.004 -25.667 1.00 0.00 C ATOM 740 C ALA A 45 -11.683 2.611 -24.871 1.00 0.00 C ATOM 741 O ALA A 45 -11.775 2.274 -23.690 1.00 0.00 O ATOM 742 CB ALA A 45 -12.606 4.153 -26.611 1.00 0.00 C ATOM 0 H ALA A 45 -13.954 4.319 -24.407 1.00 0.00 H new ATOM 0 HA ALA A 45 -13.236 2.142 -26.257 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -11.788 3.866 -27.272 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -13.488 4.389 -27.206 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -12.314 5.029 -26.032 1.00 0.00 H new ATOM 748 N THR A 46 -10.524 2.657 -25.519 1.00 0.00 N ATOM 749 CA THR A 46 -9.272 2.304 -24.861 1.00 0.00 C ATOM 750 C THR A 46 -8.166 3.289 -25.228 1.00 0.00 C ATOM 751 O THR A 46 -8.283 4.036 -26.198 1.00 0.00 O ATOM 752 CB THR A 46 -8.857 0.882 -25.238 1.00 0.00 C ATOM 753 OG1 THR A 46 -8.868 0.714 -26.645 1.00 0.00 O ATOM 754 CG2 THR A 46 -9.753 -0.182 -24.642 1.00 0.00 C ATOM 0 H THR A 46 -10.426 2.934 -26.496 1.00 0.00 H new ATOM 0 HA THR A 46 -9.430 2.353 -23.784 1.00 0.00 H new ATOM 0 HB THR A 46 -7.853 0.757 -24.832 1.00 0.00 H new ATOM 0 HG1 THR A 46 -8.598 -0.202 -26.867 1.00 0.00 H new ATOM 0 HG21 THR A 46 -9.402 -1.167 -24.949 1.00 0.00 H new ATOM 0 HG22 THR A 46 -9.728 -0.111 -23.555 1.00 0.00 H new ATOM 0 HG23 THR A 46 -10.775 -0.035 -24.992 1.00 0.00 H new ATOM 762 N TRP A 47 -7.091 3.283 -24.445 1.00 0.00 N ATOM 763 CA TRP A 47 -5.961 4.174 -24.686 1.00 0.00 C ATOM 764 C TRP A 47 -5.518 4.113 -26.145 1.00 0.00 C ATOM 765 O TRP A 47 -4.956 5.071 -26.675 1.00 0.00 O ATOM 766 CB TRP A 47 -4.792 3.805 -23.772 1.00 0.00 C ATOM 767 CG TRP A 47 -5.073 4.043 -22.321 1.00 0.00 C ATOM 768 CD1 TRP A 47 -5.198 3.099 -21.343 1.00 0.00 C ATOM 769 CD2 TRP A 47 -5.268 5.311 -21.682 1.00 0.00 C ATOM 770 NE1 TRP A 47 -5.459 3.701 -20.135 1.00 0.00 N ATOM 771 CE2 TRP A 47 -5.507 5.058 -20.318 1.00 0.00 C ATOM 772 CE3 TRP A 47 -5.264 6.635 -22.131 1.00 0.00 C ATOM 773 CZ2 TRP A 47 -5.737 6.081 -19.400 1.00 0.00 C ATOM 774 CZ3 TRP A 47 -5.493 7.648 -21.219 1.00 0.00 C ATOM 775 CH2 TRP A 47 -5.726 7.367 -19.868 1.00 0.00 C ATOM 0 H TRP A 47 -6.979 2.670 -23.637 1.00 0.00 H new ATOM 0 HA TRP A 47 -6.281 5.192 -24.465 1.00 0.00 H new ATOM 0 HB2 TRP A 47 -4.544 2.754 -23.919 1.00 0.00 H new ATOM 0 HB3 TRP A 47 -3.915 4.383 -24.064 1.00 0.00 H new ATOM 0 HD1 TRP A 47 -5.105 2.034 -21.496 1.00 0.00 H new ATOM 0 HE1 TRP A 47 -5.595 3.217 -19.248 1.00 0.00 H new ATOM 0 HE3 TRP A 47 -5.085 6.862 -23.172 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 -5.917 5.867 -18.357 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 -5.492 8.674 -21.555 1.00 0.00 H new ATOM 0 HH2 TRP A 47 -5.901 8.182 -19.181 1.00 0.00 H new ATOM 786 N LYS A 48 -5.775 2.980 -26.788 1.00 0.00 N ATOM 787 CA LYS A 48 -5.403 2.793 -28.186 1.00 0.00 C ATOM 788 C LYS A 48 -6.082 3.832 -29.071 1.00 0.00 C ATOM 789 O LYS A 48 -5.457 4.416 -29.956 1.00 0.00 O ATOM 790 CB LYS A 48 -5.786 1.387 -28.650 1.00 0.00 C ATOM 791 CG LYS A 48 -4.626 0.407 -28.640 1.00 0.00 C ATOM 792 CD LYS A 48 -3.744 0.576 -29.866 1.00 0.00 C ATOM 793 CE LYS A 48 -4.378 -0.049 -31.097 1.00 0.00 C ATOM 794 NZ LYS A 48 -3.353 -0.566 -32.047 1.00 0.00 N ATOM 0 H LYS A 48 -6.239 2.177 -26.364 1.00 0.00 H new ATOM 0 HA LYS A 48 -4.323 2.917 -28.271 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -6.579 1.005 -28.008 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -6.193 1.445 -29.659 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -4.031 0.555 -27.739 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -5.010 -0.613 -28.604 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -3.567 1.637 -30.045 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -2.772 0.117 -29.683 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -5.035 -0.864 -30.793 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -5.000 0.691 -31.601 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -3.825 -0.985 -32.874 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -2.741 0.216 -32.357 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -2.776 -1.291 -31.574 1.00 0.00 H new ATOM 808 N ASP A 49 -7.367 4.055 -28.824 1.00 0.00 N ATOM 809 CA ASP A 49 -8.140 5.022 -29.594 1.00 0.00 C ATOM 810 C ASP A 49 -7.904 6.437 -29.081 1.00 0.00 C ATOM 811 O ASP A 49 -8.036 7.410 -29.823 1.00 0.00 O ATOM 812 CB ASP A 49 -9.628 4.682 -29.519 1.00 0.00 C ATOM 813 CG ASP A 49 -9.889 3.197 -29.689 1.00 0.00 C ATOM 814 OD1 ASP A 49 -9.389 2.616 -30.675 1.00 0.00 O ATOM 815 OD2 ASP A 49 -10.591 2.615 -28.836 1.00 0.00 O ATOM 0 H ASP A 49 -7.897 3.578 -28.095 1.00 0.00 H new ATOM 0 HA ASP A 49 -7.812 4.973 -30.632 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -10.026 5.011 -28.559 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -10.164 5.234 -30.292 1.00 0.00 H new ATOM 820 N SER A 50 -7.555 6.541 -27.805 1.00 0.00 N ATOM 821 CA SER A 50 -7.299 7.832 -27.180 1.00 0.00 C ATOM 822 C SER A 50 -6.349 8.676 -28.025 1.00 0.00 C ATOM 823 O SER A 50 -5.494 8.145 -28.733 1.00 0.00 O ATOM 824 CB SER A 50 -6.716 7.628 -25.784 1.00 0.00 C ATOM 825 OG SER A 50 -5.338 7.312 -25.846 1.00 0.00 O ATOM 0 H SER A 50 -7.442 5.743 -27.180 1.00 0.00 H new ATOM 0 HA SER A 50 -8.246 8.365 -27.102 1.00 0.00 H new ATOM 0 HB2 SER A 50 -6.858 8.532 -25.192 1.00 0.00 H new ATOM 0 HB3 SER A 50 -7.253 6.827 -25.276 1.00 0.00 H new ATOM 0 HG SER A 50 -5.186 6.650 -26.552 1.00 0.00 H new ATOM 831 N LYS A 51 -6.507 9.994 -27.940 1.00 0.00 N ATOM 832 CA LYS A 51 -5.665 10.916 -28.691 1.00 0.00 C ATOM 833 C LYS A 51 -4.500 11.401 -27.839 1.00 0.00 C ATOM 834 O LYS A 51 -4.690 11.878 -26.719 1.00 0.00 O ATOM 835 CB LYS A 51 -6.486 12.109 -29.180 1.00 0.00 C ATOM 836 CG LYS A 51 -6.802 12.059 -30.665 1.00 0.00 C ATOM 837 CD LYS A 51 -6.443 13.364 -31.355 1.00 0.00 C ATOM 838 CE LYS A 51 -6.475 13.219 -32.866 1.00 0.00 C ATOM 839 NZ LYS A 51 -6.030 14.463 -33.553 1.00 0.00 N ATOM 0 H LYS A 51 -7.212 10.446 -27.357 1.00 0.00 H new ATOM 0 HA LYS A 51 -5.265 10.383 -29.554 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -7.420 12.152 -28.619 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -5.942 13.028 -28.963 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -6.253 11.239 -31.127 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -7.863 11.852 -30.806 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -7.140 14.143 -31.048 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -5.450 13.683 -31.040 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -5.833 12.390 -33.165 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -7.487 12.970 -33.185 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -6.066 14.323 -34.583 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -6.657 15.249 -33.288 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -5.055 14.687 -33.268 1.00 0.00 H new ATOM 853 N THR A 52 -3.296 11.270 -28.378 1.00 0.00 N ATOM 854 CA THR A 52 -2.094 11.687 -27.673 1.00 0.00 C ATOM 855 C THR A 52 -1.760 13.145 -27.967 1.00 0.00 C ATOM 856 O THR A 52 -1.445 13.504 -29.102 1.00 0.00 O ATOM 857 CB THR A 52 -0.920 10.794 -28.071 1.00 0.00 C ATOM 858 OG1 THR A 52 -1.320 9.437 -28.139 1.00 0.00 O ATOM 859 CG2 THR A 52 0.248 10.881 -27.114 1.00 0.00 C ATOM 0 H THR A 52 -3.126 10.877 -29.304 1.00 0.00 H new ATOM 0 HA THR A 52 -2.278 11.590 -26.603 1.00 0.00 H new ATOM 0 HB THR A 52 -0.598 11.159 -29.047 1.00 0.00 H new ATOM 0 HG1 THR A 52 -0.536 8.872 -28.302 1.00 0.00 H new ATOM 0 HG21 THR A 52 1.047 10.223 -27.455 1.00 0.00 H new ATOM 0 HG22 THR A 52 0.613 11.907 -27.078 1.00 0.00 H new ATOM 0 HG23 THR A 52 -0.074 10.576 -26.118 1.00 0.00 H new ATOM 867 N GLU A 53 -1.821 13.979 -26.935 1.00 0.00 N ATOM 868 CA GLU A 53 -1.514 15.397 -27.080 1.00 0.00 C ATOM 869 C GLU A 53 -0.078 15.672 -26.655 1.00 0.00 C ATOM 870 O GLU A 53 0.444 15.028 -25.746 1.00 0.00 O ATOM 871 CB GLU A 53 -2.481 16.240 -26.248 1.00 0.00 C ATOM 872 CG GLU A 53 -3.427 17.082 -27.087 1.00 0.00 C ATOM 873 CD GLU A 53 -4.377 16.240 -27.918 1.00 0.00 C ATOM 874 OE1 GLU A 53 -3.925 15.223 -28.487 1.00 0.00 O ATOM 875 OE2 GLU A 53 -5.571 16.595 -27.999 1.00 0.00 O ATOM 0 H GLU A 53 -2.080 13.698 -25.989 1.00 0.00 H new ATOM 0 HA GLU A 53 -1.628 15.670 -28.129 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -3.066 15.581 -25.607 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -1.908 16.896 -25.593 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -4.004 17.735 -26.432 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -2.846 17.726 -27.747 1.00 0.00 H new ATOM 882 N THR A 54 0.563 16.624 -27.323 1.00 0.00 N ATOM 883 CA THR A 54 1.944 16.968 -27.014 1.00 0.00 C ATOM 884 C THR A 54 2.117 18.473 -26.843 1.00 0.00 C ATOM 885 O THR A 54 1.837 19.249 -27.758 1.00 0.00 O ATOM 886 CB THR A 54 2.870 16.461 -28.119 1.00 0.00 C ATOM 887 OG1 THR A 54 2.120 15.983 -29.222 1.00 0.00 O ATOM 888 CG2 THR A 54 3.784 15.342 -27.668 1.00 0.00 C ATOM 0 H THR A 54 0.150 17.169 -28.079 1.00 0.00 H new ATOM 0 HA THR A 54 2.206 16.488 -26.071 1.00 0.00 H new ATOM 0 HB THR A 54 3.482 17.319 -28.398 1.00 0.00 H new ATOM 0 HG1 THR A 54 2.731 15.665 -29.919 1.00 0.00 H new ATOM 0 HG21 THR A 54 4.414 15.029 -28.500 1.00 0.00 H new ATOM 0 HG22 THR A 54 4.412 15.693 -26.849 1.00 0.00 H new ATOM 0 HG23 THR A 54 3.185 14.497 -27.329 1.00 0.00 H new ATOM 896 N LEU A 55 2.593 18.876 -25.670 1.00 0.00 N ATOM 897 CA LEU A 55 2.818 20.287 -25.380 1.00 0.00 C ATOM 898 C LEU A 55 4.115 20.473 -24.600 1.00 0.00 C ATOM 899 O LEU A 55 4.531 19.590 -23.849 1.00 0.00 O ATOM 900 CB LEU A 55 1.638 20.878 -24.611 1.00 0.00 C ATOM 901 CG LEU A 55 0.874 19.893 -23.742 1.00 0.00 C ATOM 902 CD1 LEU A 55 1.643 19.670 -22.455 1.00 0.00 C ATOM 903 CD2 LEU A 55 -0.531 20.405 -23.465 1.00 0.00 C ATOM 0 H LEU A 55 2.831 18.245 -24.904 1.00 0.00 H new ATOM 0 HA LEU A 55 2.907 20.819 -26.327 1.00 0.00 H new ATOM 0 HB2 LEU A 55 2.005 21.687 -23.979 1.00 0.00 H new ATOM 0 HB3 LEU A 55 0.945 21.321 -25.326 1.00 0.00 H new ATOM 0 HG LEU A 55 0.776 18.941 -24.264 1.00 0.00 H new ATOM 0 HD11 LEU A 55 1.101 18.964 -21.825 1.00 0.00 H new ATOM 0 HD12 LEU A 55 2.629 19.268 -22.686 1.00 0.00 H new ATOM 0 HD13 LEU A 55 1.752 20.618 -21.927 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -1.064 19.687 -22.841 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -0.474 21.363 -22.948 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -1.064 20.533 -24.407 1.00 0.00 H new ATOM 915 N GLN A 56 4.760 21.618 -24.795 1.00 0.00 N ATOM 916 CA GLN A 56 6.019 21.906 -24.119 1.00 0.00 C ATOM 917 C GLN A 56 5.870 23.063 -23.137 1.00 0.00 C ATOM 918 O GLN A 56 5.277 24.093 -23.459 1.00 0.00 O ATOM 919 CB GLN A 56 7.107 22.231 -25.145 1.00 0.00 C ATOM 920 CG GLN A 56 7.104 21.308 -26.354 1.00 0.00 C ATOM 921 CD GLN A 56 7.988 20.091 -26.166 1.00 0.00 C ATOM 922 OE1 GLN A 56 7.505 18.961 -26.112 1.00 0.00 O ATOM 923 NE2 GLN A 56 9.293 20.317 -26.068 1.00 0.00 N ATOM 0 H GLN A 56 4.433 22.360 -25.414 1.00 0.00 H new ATOM 0 HA GLN A 56 6.307 21.018 -23.556 1.00 0.00 H new ATOM 0 HB2 GLN A 56 6.979 23.259 -25.484 1.00 0.00 H new ATOM 0 HB3 GLN A 56 8.081 22.175 -24.659 1.00 0.00 H new ATOM 0 HG2 GLN A 56 6.083 20.982 -26.554 1.00 0.00 H new ATOM 0 HG3 GLN A 56 7.439 21.863 -27.230 1.00 0.00 H new ATOM 0 HE21 GLN A 56 9.651 21.271 -26.118 1.00 0.00 H new ATOM 0 HE22 GLN A 56 9.938 19.537 -25.943 1.00 0.00 H new ATOM 932 N ASN A 57 6.420 22.884 -21.941 1.00 0.00 N ATOM 933 CA ASN A 57 6.362 23.908 -20.905 1.00 0.00 C ATOM 934 C ASN A 57 4.929 24.384 -20.674 1.00 0.00 C ATOM 935 O ASN A 57 4.690 25.569 -20.443 1.00 0.00 O ATOM 936 CB ASN A 57 7.249 25.097 -21.283 1.00 0.00 C ATOM 937 CG ASN A 57 8.686 24.690 -21.542 1.00 0.00 C ATOM 938 OD1 ASN A 57 9.525 24.729 -20.641 1.00 0.00 O ATOM 939 ND2 ASN A 57 8.978 24.300 -22.777 1.00 0.00 N ATOM 0 H ASN A 57 6.913 22.035 -21.664 1.00 0.00 H new ATOM 0 HA ASN A 57 6.728 23.465 -19.979 1.00 0.00 H new ATOM 0 HB2 ASN A 57 6.845 25.579 -22.173 1.00 0.00 H new ATOM 0 HB3 ASN A 57 7.223 25.835 -20.481 1.00 0.00 H new ATOM 0 HD21 ASN A 57 9.930 24.017 -23.011 1.00 0.00 H new ATOM 0 HD22 ASN A 57 8.251 24.283 -23.492 1.00 0.00 H new ATOM 946 N ALA A 58 3.979 23.455 -20.736 1.00 0.00 N ATOM 947 CA ALA A 58 2.573 23.788 -20.529 1.00 0.00 C ATOM 948 C ALA A 58 2.001 23.029 -19.337 1.00 0.00 C ATOM 949 O ALA A 58 2.452 21.929 -19.015 1.00 0.00 O ATOM 950 CB ALA A 58 1.766 23.498 -21.785 1.00 0.00 C ATOM 0 H ALA A 58 4.156 22.469 -20.927 1.00 0.00 H new ATOM 0 HA ALA A 58 2.506 24.854 -20.313 1.00 0.00 H new ATOM 0 HB1 ALA A 58 0.720 23.752 -21.612 1.00 0.00 H new ATOM 0 HB2 ALA A 58 2.153 24.094 -22.612 1.00 0.00 H new ATOM 0 HB3 ALA A 58 1.846 22.439 -22.033 1.00 0.00 H new ATOM 956 N HIS A 59 1.010 23.625 -18.681 1.00 0.00 N ATOM 957 CA HIS A 59 0.382 23.006 -17.520 1.00 0.00 C ATOM 958 C HIS A 59 -1.117 22.824 -17.733 1.00 0.00 C ATOM 959 O HIS A 59 -1.903 22.943 -16.792 1.00 0.00 O ATOM 960 CB HIS A 59 0.629 23.851 -16.269 1.00 0.00 C ATOM 961 CG HIS A 59 2.013 23.707 -15.718 1.00 0.00 C ATOM 962 ND1 HIS A 59 2.714 24.754 -15.158 1.00 0.00 N ATOM 963 CD2 HIS A 59 2.828 22.629 -15.645 1.00 0.00 C ATOM 964 CE1 HIS A 59 3.901 24.326 -14.766 1.00 0.00 C ATOM 965 NE2 HIS A 59 3.995 23.040 -15.049 1.00 0.00 N ATOM 0 H HIS A 59 0.625 24.535 -18.934 1.00 0.00 H new ATOM 0 HA HIS A 59 0.830 22.022 -17.384 1.00 0.00 H new ATOM 0 HB2 HIS A 59 0.448 24.899 -16.506 1.00 0.00 H new ATOM 0 HB3 HIS A 59 -0.091 23.569 -15.501 1.00 0.00 H new ATOM 0 HD2 HIS A 59 2.603 21.631 -15.991 1.00 0.00 H new ATOM 0 HE1 HIS A 59 4.665 24.926 -14.294 1.00 0.00 H new ATOM 0 HE2 HIS A 59 4.803 22.448 -14.856 1.00 0.00 H new ATOM 974 N SER A 60 -1.511 22.533 -18.968 1.00 0.00 N ATOM 975 CA SER A 60 -2.921 22.336 -19.283 1.00 0.00 C ATOM 976 C SER A 60 -3.127 22.034 -20.765 1.00 0.00 C ATOM 977 O SER A 60 -2.289 22.371 -21.602 1.00 0.00 O ATOM 978 CB SER A 60 -3.728 23.575 -18.892 1.00 0.00 C ATOM 979 OG SER A 60 -2.899 24.721 -18.815 1.00 0.00 O ATOM 0 H SER A 60 -0.879 22.429 -19.762 1.00 0.00 H new ATOM 0 HA SER A 60 -3.271 21.478 -18.710 1.00 0.00 H new ATOM 0 HB2 SER A 60 -4.519 23.743 -19.623 1.00 0.00 H new ATOM 0 HB3 SER A 60 -4.213 23.408 -17.930 1.00 0.00 H new ATOM 0 HG SER A 60 -3.439 25.499 -18.565 1.00 0.00 H new ATOM 985 N MET A 61 -4.255 21.403 -21.076 1.00 0.00 N ATOM 986 CA MET A 61 -4.594 21.057 -22.450 1.00 0.00 C ATOM 987 C MET A 61 -6.093 21.234 -22.676 1.00 0.00 C ATOM 988 O MET A 61 -6.889 21.087 -21.749 1.00 0.00 O ATOM 989 CB MET A 61 -4.171 19.615 -22.754 1.00 0.00 C ATOM 990 CG MET A 61 -4.738 19.065 -24.055 1.00 0.00 C ATOM 991 SD MET A 61 -6.166 17.996 -23.793 1.00 0.00 S ATOM 992 CE MET A 61 -5.643 16.516 -24.655 1.00 0.00 C ATOM 0 H MET A 61 -4.954 21.120 -20.389 1.00 0.00 H new ATOM 0 HA MET A 61 -4.057 21.722 -23.126 1.00 0.00 H new ATOM 0 HB2 MET A 61 -3.083 19.567 -22.795 1.00 0.00 H new ATOM 0 HB3 MET A 61 -4.487 18.973 -21.932 1.00 0.00 H new ATOM 0 HG2 MET A 61 -5.024 19.895 -24.702 1.00 0.00 H new ATOM 0 HG3 MET A 61 -3.962 18.506 -24.578 1.00 0.00 H new ATOM 0 HE1 MET A 61 -6.004 15.637 -24.121 1.00 0.00 H new ATOM 0 HE2 MET A 61 -6.051 16.520 -25.666 1.00 0.00 H new ATOM 0 HE3 MET A 61 -4.554 16.489 -24.704 1.00 0.00 H new ATOM 1002 N ALA A 62 -6.475 21.556 -23.907 1.00 0.00 N ATOM 1003 CA ALA A 62 -7.879 21.756 -24.236 1.00 0.00 C ATOM 1004 C ALA A 62 -8.460 20.538 -24.939 1.00 0.00 C ATOM 1005 O ALA A 62 -8.552 20.501 -26.167 1.00 0.00 O ATOM 1006 CB ALA A 62 -8.048 22.995 -25.101 1.00 0.00 C ATOM 0 H ALA A 62 -5.834 21.683 -24.690 1.00 0.00 H new ATOM 0 HA ALA A 62 -8.425 21.898 -23.304 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -9.103 23.132 -25.339 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -7.682 23.868 -24.561 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -7.481 22.875 -26.024 1.00 0.00 H new ATOM 1012 N LEU A 63 -8.857 19.540 -24.153 1.00 0.00 N ATOM 1013 CA LEU A 63 -9.439 18.316 -24.701 1.00 0.00 C ATOM 1014 C LEU A 63 -10.486 18.642 -25.767 1.00 0.00 C ATOM 1015 O LEU A 63 -11.600 19.055 -25.447 1.00 0.00 O ATOM 1016 CB LEU A 63 -10.079 17.491 -23.584 1.00 0.00 C ATOM 1017 CG LEU A 63 -9.156 17.157 -22.411 1.00 0.00 C ATOM 1018 CD1 LEU A 63 -9.927 17.185 -21.100 1.00 0.00 C ATOM 1019 CD2 LEU A 63 -8.505 15.799 -22.619 1.00 0.00 C ATOM 0 H LEU A 63 -8.787 19.554 -23.136 1.00 0.00 H new ATOM 0 HA LEU A 63 -8.640 17.737 -25.164 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -10.943 18.034 -23.202 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -10.451 16.559 -24.010 1.00 0.00 H new ATOM 0 HG LEU A 63 -8.371 17.912 -22.363 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -9.254 16.945 -20.277 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -10.348 18.179 -20.947 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -10.732 16.451 -21.136 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -7.851 15.576 -21.776 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -9.277 15.033 -22.692 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -7.919 15.813 -23.538 1.00 0.00 H new ATOM 1031 N PRO A 64 -10.134 18.482 -27.054 1.00 0.00 N ATOM 1032 CA PRO A 64 -11.035 18.782 -28.161 1.00 0.00 C ATOM 1033 C PRO A 64 -11.899 17.595 -28.587 1.00 0.00 C ATOM 1034 O PRO A 64 -13.112 17.729 -28.751 1.00 0.00 O ATOM 1035 CB PRO A 64 -10.063 19.158 -29.273 1.00 0.00 C ATOM 1036 CG PRO A 64 -8.848 18.325 -29.018 1.00 0.00 C ATOM 1037 CD PRO A 64 -8.821 18.022 -27.537 1.00 0.00 C ATOM 0 HA PRO A 64 -11.759 19.554 -27.899 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -10.486 18.949 -30.255 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -9.826 20.222 -29.248 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -8.883 17.404 -29.599 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -7.946 18.857 -29.319 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -8.678 16.958 -27.350 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -8.006 18.546 -27.037 1.00 0.00 H new ATOM 1045 N ALA A 65 -11.268 16.443 -28.789 1.00 0.00 N ATOM 1046 CA ALA A 65 -11.983 15.248 -29.226 1.00 0.00 C ATOM 1047 C ALA A 65 -12.622 14.492 -28.062 1.00 0.00 C ATOM 1048 O ALA A 65 -12.174 13.405 -27.696 1.00 0.00 O ATOM 1049 CB ALA A 65 -11.046 14.332 -29.996 1.00 0.00 C ATOM 0 H ALA A 65 -10.265 16.311 -28.658 1.00 0.00 H new ATOM 0 HA ALA A 65 -12.792 15.576 -29.878 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -11.589 13.443 -30.318 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -10.660 14.857 -30.870 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -10.216 14.037 -29.354 1.00 0.00 H new ATOM 1055 N LEU A 66 -13.683 15.058 -27.499 1.00 0.00 N ATOM 1056 CA LEU A 66 -14.392 14.417 -26.396 1.00 0.00 C ATOM 1057 C LEU A 66 -15.862 14.215 -26.750 1.00 0.00 C ATOM 1058 O LEU A 66 -16.385 14.865 -27.657 1.00 0.00 O ATOM 1059 CB LEU A 66 -14.264 15.241 -25.108 1.00 0.00 C ATOM 1060 CG LEU A 66 -12.852 15.742 -24.755 1.00 0.00 C ATOM 1061 CD1 LEU A 66 -12.722 15.922 -23.249 1.00 0.00 C ATOM 1062 CD2 LEU A 66 -11.770 14.798 -25.268 1.00 0.00 C ATOM 0 H LEU A 66 -14.071 15.957 -27.786 1.00 0.00 H new ATOM 0 HA LEU A 66 -13.936 13.442 -26.225 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -14.923 16.105 -25.188 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -14.630 14.637 -24.278 1.00 0.00 H new ATOM 0 HG LEU A 66 -12.710 16.704 -25.248 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -11.719 16.277 -23.010 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -13.456 16.651 -22.905 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -12.897 14.968 -22.752 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -10.789 15.188 -24.998 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -11.905 13.813 -24.821 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -11.842 14.717 -26.353 1.00 0.00 H new ATOM 1074 N GLU A 67 -16.526 13.304 -26.042 1.00 0.00 N ATOM 1075 CA GLU A 67 -17.934 13.017 -26.300 1.00 0.00 C ATOM 1076 C GLU A 67 -18.752 13.025 -25.007 1.00 0.00 C ATOM 1077 O GLU A 67 -18.354 12.421 -24.011 1.00 0.00 O ATOM 1078 CB GLU A 67 -18.080 11.659 -26.989 1.00 0.00 C ATOM 1079 CG GLU A 67 -17.546 11.635 -28.413 1.00 0.00 C ATOM 1080 CD GLU A 67 -17.595 10.249 -29.027 1.00 0.00 C ATOM 1081 OE1 GLU A 67 -17.170 9.286 -28.354 1.00 0.00 O ATOM 1082 OE2 GLU A 67 -18.058 10.127 -30.180 1.00 0.00 O ATOM 0 H GLU A 67 -16.113 12.754 -25.288 1.00 0.00 H new ATOM 0 HA GLU A 67 -18.316 13.801 -26.953 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -17.556 10.905 -26.401 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -19.133 11.379 -27.001 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -18.128 12.322 -29.028 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -16.517 11.995 -28.418 1.00 0.00 H new ATOM 1089 N PRO A 68 -19.916 13.704 -25.005 1.00 0.00 N ATOM 1090 CA PRO A 68 -20.789 13.773 -23.827 1.00 0.00 C ATOM 1091 C PRO A 68 -21.332 12.405 -23.427 1.00 0.00 C ATOM 1092 O PRO A 68 -21.330 11.468 -24.226 1.00 0.00 O ATOM 1093 CB PRO A 68 -21.942 14.683 -24.269 1.00 0.00 C ATOM 1094 CG PRO A 68 -21.451 15.383 -25.490 1.00 0.00 C ATOM 1095 CD PRO A 68 -20.476 14.449 -26.144 1.00 0.00 C ATOM 0 HA PRO A 68 -20.249 14.142 -22.955 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -22.840 14.103 -24.483 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -22.202 15.395 -23.486 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -22.276 15.618 -26.162 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -20.972 16.327 -25.231 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -20.967 13.787 -26.857 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -19.704 14.990 -26.691 1.00 0.00 H new ATOM 1103 N SER A 69 -21.800 12.298 -22.188 1.00 0.00 N ATOM 1104 CA SER A 69 -22.352 11.046 -21.680 1.00 0.00 C ATOM 1105 C SER A 69 -21.364 9.900 -21.865 1.00 0.00 C ATOM 1106 O SER A 69 -21.744 8.792 -22.242 1.00 0.00 O ATOM 1107 CB SER A 69 -23.671 10.717 -22.385 1.00 0.00 C ATOM 1108 OG SER A 69 -24.363 11.899 -22.751 1.00 0.00 O ATOM 0 H SER A 69 -21.808 13.065 -21.515 1.00 0.00 H new ATOM 0 HA SER A 69 -22.541 11.171 -20.614 1.00 0.00 H new ATOM 0 HB2 SER A 69 -23.472 10.118 -23.274 1.00 0.00 H new ATOM 0 HB3 SER A 69 -24.298 10.114 -21.728 1.00 0.00 H new ATOM 0 HG SER A 69 -25.201 11.662 -23.201 1.00 0.00 H new ATOM 1114 N THR A 70 -20.095 10.176 -21.593 1.00 0.00 N ATOM 1115 CA THR A 70 -19.047 9.173 -21.724 1.00 0.00 C ATOM 1116 C THR A 70 -17.916 9.452 -20.742 1.00 0.00 C ATOM 1117 O THR A 70 -17.523 10.601 -20.544 1.00 0.00 O ATOM 1118 CB THR A 70 -18.507 9.152 -23.157 1.00 0.00 C ATOM 1119 OG1 THR A 70 -19.500 8.698 -24.060 1.00 0.00 O ATOM 1120 CG2 THR A 70 -17.291 8.267 -23.333 1.00 0.00 C ATOM 0 H THR A 70 -19.766 11.089 -21.279 1.00 0.00 H new ATOM 0 HA THR A 70 -19.474 8.197 -21.495 1.00 0.00 H new ATOM 0 HB THR A 70 -18.218 10.182 -23.367 1.00 0.00 H new ATOM 0 HG1 THR A 70 -20.128 9.426 -24.249 1.00 0.00 H new ATOM 0 HG21 THR A 70 -16.964 8.301 -24.372 1.00 0.00 H new ATOM 0 HG22 THR A 70 -16.487 8.621 -22.687 1.00 0.00 H new ATOM 0 HG23 THR A 70 -17.546 7.241 -23.066 1.00 0.00 H new ATOM 1128 N ARG A 71 -17.393 8.394 -20.133 1.00 0.00 N ATOM 1129 CA ARG A 71 -16.304 8.535 -19.177 1.00 0.00 C ATOM 1130 C ARG A 71 -14.981 8.699 -19.908 1.00 0.00 C ATOM 1131 O ARG A 71 -14.631 7.888 -20.764 1.00 0.00 O ATOM 1132 CB ARG A 71 -16.242 7.323 -18.247 1.00 0.00 C ATOM 1133 CG ARG A 71 -16.451 7.670 -16.784 1.00 0.00 C ATOM 1134 CD ARG A 71 -16.646 6.424 -15.939 1.00 0.00 C ATOM 1135 NE ARG A 71 -15.743 6.396 -14.793 1.00 0.00 N ATOM 1136 CZ ARG A 71 -15.594 5.340 -14.001 1.00 0.00 C ATOM 1137 NH1 ARG A 71 -16.282 4.231 -14.236 1.00 0.00 N ATOM 1138 NH2 ARG A 71 -14.754 5.390 -12.977 1.00 0.00 N ATOM 0 H ARG A 71 -17.704 7.434 -20.284 1.00 0.00 H new ATOM 0 HA ARG A 71 -16.489 9.425 -18.575 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -17.000 6.601 -18.553 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -15.274 6.836 -18.362 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -15.592 8.230 -16.415 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -17.321 8.319 -16.684 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -17.677 6.380 -15.589 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -16.480 5.539 -16.553 1.00 0.00 H new ATOM 0 HE ARG A 71 -15.197 7.233 -14.589 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -16.926 4.188 -15.026 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -16.167 3.421 -13.627 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -14.221 6.240 -12.796 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -14.641 4.578 -12.370 1.00 0.00 H new ATOM 1152 N TYR A 72 -14.258 9.758 -19.574 1.00 0.00 N ATOM 1153 CA TYR A 72 -12.978 10.037 -20.210 1.00 0.00 C ATOM 1154 C TYR A 72 -11.832 9.950 -19.211 1.00 0.00 C ATOM 1155 O TYR A 72 -11.817 10.654 -18.200 1.00 0.00 O ATOM 1156 CB TYR A 72 -13.002 11.422 -20.859 1.00 0.00 C ATOM 1157 CG TYR A 72 -13.276 11.389 -22.346 1.00 0.00 C ATOM 1158 CD1 TYR A 72 -14.546 11.105 -22.830 1.00 0.00 C ATOM 1159 CD2 TYR A 72 -12.264 11.637 -23.265 1.00 0.00 C ATOM 1160 CE1 TYR A 72 -14.801 11.070 -24.188 1.00 0.00 C ATOM 1161 CE2 TYR A 72 -12.510 11.603 -24.625 1.00 0.00 C ATOM 1162 CZ TYR A 72 -13.781 11.319 -25.081 1.00 0.00 C ATOM 1163 OH TYR A 72 -14.033 11.281 -26.434 1.00 0.00 O ATOM 0 H TYR A 72 -14.535 10.438 -18.866 1.00 0.00 H new ATOM 0 HA TYR A 72 -12.815 9.282 -20.979 1.00 0.00 H new ATOM 0 HB2 TYR A 72 -13.764 12.030 -20.371 1.00 0.00 H new ATOM 0 HB3 TYR A 72 -12.044 11.912 -20.685 1.00 0.00 H new ATOM 0 HD1 TYR A 72 -15.348 10.908 -22.134 1.00 0.00 H new ATOM 0 HD2 TYR A 72 -11.268 11.860 -22.911 1.00 0.00 H new ATOM 0 HE1 TYR A 72 -15.795 10.849 -24.548 1.00 0.00 H new ATOM 0 HE2 TYR A 72 -11.712 11.798 -25.326 1.00 0.00 H new ATOM 0 HH TYR A 72 -13.264 11.646 -26.920 1.00 0.00 H new ATOM 1173 N TRP A 73 -10.869 9.087 -19.511 1.00 0.00 N ATOM 1174 CA TRP A 73 -9.705 8.902 -18.656 1.00 0.00 C ATOM 1175 C TRP A 73 -8.466 9.480 -19.329 1.00 0.00 C ATOM 1176 O TRP A 73 -8.125 9.100 -20.449 1.00 0.00 O ATOM 1177 CB TRP A 73 -9.508 7.417 -18.353 1.00 0.00 C ATOM 1178 CG TRP A 73 -10.678 6.802 -17.648 1.00 0.00 C ATOM 1179 CD1 TRP A 73 -11.984 6.816 -18.053 1.00 0.00 C ATOM 1180 CD2 TRP A 73 -10.650 6.087 -16.409 1.00 0.00 C ATOM 1181 NE1 TRP A 73 -12.767 6.156 -17.138 1.00 0.00 N ATOM 1182 CE2 TRP A 73 -11.971 5.698 -16.121 1.00 0.00 C ATOM 1183 CE3 TRP A 73 -9.634 5.737 -15.515 1.00 0.00 C ATOM 1184 CZ2 TRP A 73 -12.302 4.978 -14.977 1.00 0.00 C ATOM 1185 CZ3 TRP A 73 -9.965 5.023 -14.380 1.00 0.00 C ATOM 1186 CH2 TRP A 73 -11.289 4.650 -14.120 1.00 0.00 C ATOM 0 H TRP A 73 -10.873 8.501 -20.346 1.00 0.00 H new ATOM 0 HA TRP A 73 -9.866 9.429 -17.716 1.00 0.00 H new ATOM 0 HB2 TRP A 73 -9.331 6.882 -19.286 1.00 0.00 H new ATOM 0 HB3 TRP A 73 -8.615 7.292 -17.740 1.00 0.00 H new ATOM 0 HD1 TRP A 73 -12.346 7.278 -18.959 1.00 0.00 H new ATOM 0 HE1 TRP A 73 -13.777 6.028 -17.205 1.00 0.00 H new ATOM 0 HE3 TRP A 73 -8.610 6.020 -15.708 1.00 0.00 H new ATOM 0 HZ2 TRP A 73 -13.323 4.689 -14.774 1.00 0.00 H new ATOM 0 HZ3 TRP A 73 -9.189 4.748 -13.681 1.00 0.00 H new ATOM 0 HH2 TRP A 73 -11.515 4.091 -13.224 1.00 0.00 H new ATOM 1197 N ALA A 74 -7.805 10.418 -18.656 1.00 0.00 N ATOM 1198 CA ALA A 74 -6.621 11.058 -19.219 1.00 0.00 C ATOM 1199 C ALA A 74 -5.361 10.733 -18.425 1.00 0.00 C ATOM 1200 O ALA A 74 -5.414 10.081 -17.382 1.00 0.00 O ATOM 1201 CB ALA A 74 -6.824 12.564 -19.300 1.00 0.00 C ATOM 0 H ALA A 74 -8.067 10.749 -17.728 1.00 0.00 H new ATOM 0 HA ALA A 74 -6.482 10.660 -20.224 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -5.933 13.029 -19.722 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -7.682 12.782 -19.935 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -7.002 12.961 -18.301 1.00 0.00 H new ATOM 1207 N ARG A 75 -4.225 11.194 -18.940 1.00 0.00 N ATOM 1208 CA ARG A 75 -2.935 10.963 -18.303 1.00 0.00 C ATOM 1209 C ARG A 75 -1.858 11.836 -18.945 1.00 0.00 C ATOM 1210 O ARG A 75 -1.996 12.261 -20.091 1.00 0.00 O ATOM 1211 CB ARG A 75 -2.551 9.486 -18.420 1.00 0.00 C ATOM 1212 CG ARG A 75 -2.669 8.940 -19.835 1.00 0.00 C ATOM 1213 CD ARG A 75 -2.258 7.477 -19.908 1.00 0.00 C ATOM 1214 NE ARG A 75 -2.276 6.968 -21.277 1.00 0.00 N ATOM 1215 CZ ARG A 75 -2.169 5.679 -21.582 1.00 0.00 C ATOM 1216 NH1 ARG A 75 -2.057 4.776 -20.618 1.00 0.00 N ATOM 1217 NH2 ARG A 75 -2.177 5.292 -22.850 1.00 0.00 N ATOM 0 H ARG A 75 -4.173 11.734 -19.804 1.00 0.00 H new ATOM 0 HA ARG A 75 -3.015 11.228 -17.249 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -1.526 9.356 -18.073 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -3.188 8.899 -17.758 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -3.697 9.047 -20.182 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -2.043 9.528 -20.506 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -1.257 7.361 -19.492 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -2.931 6.881 -19.291 1.00 0.00 H new ATOM 0 HE ARG A 75 -2.376 7.638 -22.040 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -2.053 5.070 -19.641 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -1.975 3.787 -20.853 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -2.265 5.984 -23.594 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -2.095 4.302 -23.082 1.00 0.00 H new ATOM 1231 N VAL A 76 -0.785 12.100 -18.203 1.00 0.00 N ATOM 1232 CA VAL A 76 0.309 12.920 -18.712 1.00 0.00 C ATOM 1233 C VAL A 76 1.660 12.420 -18.208 1.00 0.00 C ATOM 1234 O VAL A 76 1.819 12.113 -17.028 1.00 0.00 O ATOM 1235 CB VAL A 76 0.142 14.410 -18.324 1.00 0.00 C ATOM 1236 CG1 VAL A 76 0.433 14.639 -16.845 1.00 0.00 C ATOM 1237 CG2 VAL A 76 1.042 15.281 -19.184 1.00 0.00 C ATOM 0 H VAL A 76 -0.651 11.759 -17.251 1.00 0.00 H new ATOM 0 HA VAL A 76 0.277 12.835 -19.798 1.00 0.00 H new ATOM 0 HB VAL A 76 -0.897 14.688 -18.503 1.00 0.00 H new ATOM 0 HG11 VAL A 76 0.306 15.695 -16.609 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -0.256 14.047 -16.243 1.00 0.00 H new ATOM 0 HG13 VAL A 76 1.457 14.339 -16.625 1.00 0.00 H new ATOM 0 HG21 VAL A 76 0.915 16.326 -18.901 1.00 0.00 H new ATOM 0 HG22 VAL A 76 2.081 14.988 -19.035 1.00 0.00 H new ATOM 0 HG23 VAL A 76 0.776 15.154 -20.233 1.00 0.00 H new ATOM 1247 N ARG A 77 2.632 12.352 -19.108 1.00 0.00 N ATOM 1248 CA ARG A 77 3.975 11.905 -18.753 1.00 0.00 C ATOM 1249 C ARG A 77 4.974 13.037 -18.961 1.00 0.00 C ATOM 1250 O ARG A 77 4.954 13.708 -19.993 1.00 0.00 O ATOM 1251 CB ARG A 77 4.380 10.681 -19.578 1.00 0.00 C ATOM 1252 CG ARG A 77 3.722 10.614 -20.945 1.00 0.00 C ATOM 1253 CD ARG A 77 4.462 9.663 -21.871 1.00 0.00 C ATOM 1254 NE ARG A 77 4.255 8.265 -21.503 1.00 0.00 N ATOM 1255 CZ ARG A 77 4.782 7.243 -22.169 1.00 0.00 C ATOM 1256 NH1 ARG A 77 5.540 7.463 -23.235 1.00 0.00 N ATOM 1257 NH2 ARG A 77 4.551 6.000 -21.771 1.00 0.00 N ATOM 0 H ARG A 77 2.517 12.601 -20.090 1.00 0.00 H new ATOM 0 HA ARG A 77 3.975 11.619 -17.701 1.00 0.00 H new ATOM 0 HB2 ARG A 77 5.462 10.684 -19.707 1.00 0.00 H new ATOM 0 HB3 ARG A 77 4.128 9.779 -19.020 1.00 0.00 H new ATOM 0 HG2 ARG A 77 2.688 10.288 -20.837 1.00 0.00 H new ATOM 0 HG3 ARG A 77 3.697 11.610 -21.388 1.00 0.00 H new ATOM 0 HD2 ARG A 77 4.126 9.821 -22.896 1.00 0.00 H new ATOM 0 HD3 ARG A 77 5.528 9.890 -21.846 1.00 0.00 H new ATOM 0 HE ARG A 77 3.674 8.062 -20.690 1.00 0.00 H new ATOM 0 HH11 ARG A 77 5.719 8.418 -23.545 1.00 0.00 H new ATOM 0 HH12 ARG A 77 5.944 6.677 -23.745 1.00 0.00 H new ATOM 0 HH21 ARG A 77 3.968 5.827 -20.952 1.00 0.00 H new ATOM 0 HH22 ARG A 77 4.956 5.217 -22.283 1.00 0.00 H new ATOM 1271 N VAL A 78 5.837 13.263 -17.975 1.00 0.00 N ATOM 1272 CA VAL A 78 6.818 14.334 -18.067 1.00 0.00 C ATOM 1273 C VAL A 78 8.235 13.800 -18.259 1.00 0.00 C ATOM 1274 O VAL A 78 8.548 12.675 -17.873 1.00 0.00 O ATOM 1275 CB VAL A 78 6.788 15.226 -16.812 1.00 0.00 C ATOM 1276 CG1 VAL A 78 7.087 14.408 -15.566 1.00 0.00 C ATOM 1277 CG2 VAL A 78 7.773 16.376 -16.952 1.00 0.00 C ATOM 0 H VAL A 78 5.876 12.723 -17.111 1.00 0.00 H new ATOM 0 HA VAL A 78 6.545 14.923 -18.942 1.00 0.00 H new ATOM 0 HB VAL A 78 5.787 15.644 -16.711 1.00 0.00 H new ATOM 0 HG11 VAL A 78 7.061 15.056 -14.690 1.00 0.00 H new ATOM 0 HG12 VAL A 78 6.339 13.623 -15.458 1.00 0.00 H new ATOM 0 HG13 VAL A 78 8.076 13.958 -15.655 1.00 0.00 H new ATOM 0 HG21 VAL A 78 7.738 16.996 -16.056 1.00 0.00 H new ATOM 0 HG22 VAL A 78 8.780 15.979 -17.080 1.00 0.00 H new ATOM 0 HG23 VAL A 78 7.508 16.979 -17.821 1.00 0.00 H new ATOM 1287 N ARG A 79 9.093 14.623 -18.855 1.00 0.00 N ATOM 1288 CA ARG A 79 10.481 14.247 -19.092 1.00 0.00 C ATOM 1289 C ARG A 79 11.370 15.488 -19.165 1.00 0.00 C ATOM 1290 O ARG A 79 10.885 16.614 -19.063 1.00 0.00 O ATOM 1291 CB ARG A 79 10.607 13.424 -20.383 1.00 0.00 C ATOM 1292 CG ARG A 79 10.628 14.260 -21.658 1.00 0.00 C ATOM 1293 CD ARG A 79 10.571 13.385 -22.899 1.00 0.00 C ATOM 1294 NE ARG A 79 11.587 13.750 -23.885 1.00 0.00 N ATOM 1295 CZ ARG A 79 11.406 14.663 -24.838 1.00 0.00 C ATOM 1296 NH1 ARG A 79 10.262 15.331 -24.922 1.00 0.00 N ATOM 1297 NH2 ARG A 79 12.377 14.912 -25.706 1.00 0.00 N ATOM 0 H ARG A 79 8.849 15.557 -19.183 1.00 0.00 H new ATOM 0 HA ARG A 79 10.814 13.632 -18.256 1.00 0.00 H new ATOM 0 HB2 ARG A 79 11.521 12.832 -20.335 1.00 0.00 H new ATOM 0 HB3 ARG A 79 9.775 12.722 -20.436 1.00 0.00 H new ATOM 0 HG2 ARG A 79 9.782 14.948 -21.657 1.00 0.00 H new ATOM 0 HG3 ARG A 79 11.533 14.867 -21.681 1.00 0.00 H new ATOM 0 HD2 ARG A 79 10.706 12.342 -22.612 1.00 0.00 H new ATOM 0 HD3 ARG A 79 9.583 13.466 -23.352 1.00 0.00 H new ATOM 0 HE ARG A 79 12.489 13.277 -23.840 1.00 0.00 H new ATOM 0 HH11 ARG A 79 9.514 15.147 -24.254 1.00 0.00 H new ATOM 0 HH12 ARG A 79 10.131 16.029 -25.655 1.00 0.00 H new ATOM 0 HH21 ARG A 79 13.260 14.405 -25.643 1.00 0.00 H new ATOM 0 HH22 ARG A 79 12.241 15.611 -26.437 1.00 0.00 H new ATOM 1311 N THR A 80 12.664 15.273 -19.366 1.00 0.00 N ATOM 1312 CA THR A 80 13.615 16.371 -19.476 1.00 0.00 C ATOM 1313 C THR A 80 14.203 16.388 -20.876 1.00 0.00 C ATOM 1314 O THR A 80 15.380 16.097 -21.074 1.00 0.00 O ATOM 1315 CB THR A 80 14.729 16.230 -18.439 1.00 0.00 C ATOM 1316 OG1 THR A 80 15.271 14.922 -18.461 1.00 0.00 O ATOM 1317 CG2 THR A 80 14.270 16.516 -17.025 1.00 0.00 C ATOM 0 H THR A 80 13.079 14.346 -19.456 1.00 0.00 H new ATOM 0 HA THR A 80 13.094 17.310 -19.287 1.00 0.00 H new ATOM 0 HB THR A 80 15.478 16.972 -18.716 1.00 0.00 H new ATOM 0 HG1 THR A 80 15.579 14.711 -19.367 1.00 0.00 H new ATOM 0 HG21 THR A 80 15.109 16.398 -16.339 1.00 0.00 H new ATOM 0 HG22 THR A 80 13.893 17.537 -16.964 1.00 0.00 H new ATOM 0 HG23 THR A 80 13.477 15.819 -16.752 1.00 0.00 H new ATOM 1325 N SER A 81 13.356 16.705 -21.844 1.00 0.00 N ATOM 1326 CA SER A 81 13.748 16.732 -23.248 1.00 0.00 C ATOM 1327 C SER A 81 15.155 17.291 -23.473 1.00 0.00 C ATOM 1328 O SER A 81 15.795 16.960 -24.470 1.00 0.00 O ATOM 1329 CB SER A 81 12.743 17.538 -24.068 1.00 0.00 C ATOM 1330 OG SER A 81 11.434 17.419 -23.537 1.00 0.00 O ATOM 0 H SER A 81 12.380 16.950 -21.681 1.00 0.00 H new ATOM 0 HA SER A 81 13.757 15.694 -23.579 1.00 0.00 H new ATOM 0 HB2 SER A 81 13.039 18.587 -24.081 1.00 0.00 H new ATOM 0 HB3 SER A 81 12.752 17.191 -25.101 1.00 0.00 H new ATOM 0 HG SER A 81 10.948 18.259 -23.673 1.00 0.00 H new ATOM 1336 N ARG A 82 15.631 18.153 -22.577 1.00 0.00 N ATOM 1337 CA ARG A 82 16.957 18.743 -22.748 1.00 0.00 C ATOM 1338 C ARG A 82 17.799 18.658 -21.479 1.00 0.00 C ATOM 1339 O ARG A 82 17.512 17.870 -20.581 1.00 0.00 O ATOM 1340 CB ARG A 82 16.827 20.191 -23.204 1.00 0.00 C ATOM 1341 CG ARG A 82 15.841 20.355 -24.342 1.00 0.00 C ATOM 1342 CD ARG A 82 15.491 21.815 -24.589 1.00 0.00 C ATOM 1343 NE ARG A 82 15.318 22.564 -23.346 1.00 0.00 N ATOM 1344 CZ ARG A 82 15.473 23.883 -23.249 1.00 0.00 C ATOM 1345 NH1 ARG A 82 15.786 24.602 -24.318 1.00 0.00 N ATOM 1346 NH2 ARG A 82 15.307 24.485 -22.079 1.00 0.00 N ATOM 0 H ARG A 82 15.130 18.454 -21.741 1.00 0.00 H new ATOM 0 HA ARG A 82 17.476 18.165 -23.513 1.00 0.00 H new ATOM 0 HB2 ARG A 82 16.511 20.807 -22.362 1.00 0.00 H new ATOM 0 HB3 ARG A 82 17.804 20.559 -23.518 1.00 0.00 H new ATOM 0 HG2 ARG A 82 16.262 19.925 -25.251 1.00 0.00 H new ATOM 0 HG3 ARG A 82 14.932 19.798 -24.117 1.00 0.00 H new ATOM 0 HD2 ARG A 82 16.278 22.279 -25.183 1.00 0.00 H new ATOM 0 HD3 ARG A 82 14.574 21.872 -25.175 1.00 0.00 H new ATOM 0 HE ARG A 82 15.064 22.047 -22.504 1.00 0.00 H new ATOM 0 HH11 ARG A 82 15.909 24.145 -25.222 1.00 0.00 H new ATOM 0 HH12 ARG A 82 15.903 25.612 -24.237 1.00 0.00 H new ATOM 0 HH21 ARG A 82 15.061 23.938 -21.254 1.00 0.00 H new ATOM 0 HH22 ARG A 82 15.426 25.495 -22.004 1.00 0.00 H new ATOM 1360 N THR A 83 18.862 19.460 -21.443 1.00 0.00 N ATOM 1361 CA THR A 83 19.793 19.480 -20.324 1.00 0.00 C ATOM 1362 C THR A 83 20.659 18.236 -20.356 1.00 0.00 C ATOM 1363 O THR A 83 20.645 17.411 -19.441 1.00 0.00 O ATOM 1364 CB THR A 83 19.073 19.598 -18.988 1.00 0.00 C ATOM 1365 OG1 THR A 83 18.635 18.334 -18.521 1.00 0.00 O ATOM 1366 CG2 THR A 83 17.875 20.520 -19.026 1.00 0.00 C ATOM 0 H THR A 83 19.099 20.113 -22.190 1.00 0.00 H new ATOM 0 HA THR A 83 20.424 20.363 -20.427 1.00 0.00 H new ATOM 0 HB THR A 83 19.815 20.023 -18.311 1.00 0.00 H new ATOM 0 HG1 THR A 83 18.367 17.779 -19.283 1.00 0.00 H new ATOM 0 HG21 THR A 83 17.412 20.555 -18.040 1.00 0.00 H new ATOM 0 HG22 THR A 83 18.196 21.522 -19.312 1.00 0.00 H new ATOM 0 HG23 THR A 83 17.153 20.148 -19.753 1.00 0.00 H new ATOM 1374 N GLY A 84 21.407 18.113 -21.437 1.00 0.00 N ATOM 1375 CA GLY A 84 22.280 16.970 -21.626 1.00 0.00 C ATOM 1376 C GLY A 84 21.588 15.661 -21.304 1.00 0.00 C ATOM 1377 O GLY A 84 22.193 14.759 -20.725 1.00 0.00 O ATOM 0 H GLY A 84 21.427 18.792 -22.198 1.00 0.00 H new ATOM 0 HA2 GLY A 84 22.630 16.949 -22.658 1.00 0.00 H new ATOM 0 HA3 GLY A 84 23.160 17.079 -20.993 1.00 0.00 H new ATOM 1381 N TYR A 85 20.309 15.557 -21.667 1.00 0.00 N ATOM 1382 CA TYR A 85 19.544 14.347 -21.390 1.00 0.00 C ATOM 1383 C TYR A 85 19.578 13.380 -22.576 1.00 0.00 C ATOM 1384 O TYR A 85 20.121 13.690 -23.637 1.00 0.00 O ATOM 1385 CB TYR A 85 18.099 14.718 -20.986 1.00 0.00 C ATOM 1386 CG TYR A 85 17.000 14.138 -21.860 1.00 0.00 C ATOM 1387 CD1 TYR A 85 16.616 14.774 -23.033 1.00 0.00 C ATOM 1388 CD2 TYR A 85 16.352 12.961 -21.507 1.00 0.00 C ATOM 1389 CE1 TYR A 85 15.615 14.253 -23.830 1.00 0.00 C ATOM 1390 CE2 TYR A 85 15.353 12.433 -22.298 1.00 0.00 C ATOM 1391 CZ TYR A 85 14.986 13.083 -23.459 1.00 0.00 C ATOM 1392 OH TYR A 85 13.988 12.564 -24.251 1.00 0.00 O ATOM 0 H TYR A 85 19.788 16.290 -22.149 1.00 0.00 H new ATOM 0 HA TYR A 85 20.006 13.825 -20.552 1.00 0.00 H new ATOM 0 HB2 TYR A 85 17.933 14.390 -19.960 1.00 0.00 H new ATOM 0 HB3 TYR A 85 18.007 15.804 -20.992 1.00 0.00 H new ATOM 0 HD1 TYR A 85 17.107 15.690 -23.327 1.00 0.00 H new ATOM 0 HD2 TYR A 85 16.635 12.451 -20.598 1.00 0.00 H new ATOM 0 HE1 TYR A 85 15.326 14.759 -24.739 1.00 0.00 H new ATOM 0 HE2 TYR A 85 14.861 11.516 -22.010 1.00 0.00 H new ATOM 0 HH TYR A 85 14.297 12.521 -25.180 1.00 0.00 H new ATOM 1402 N ASN A 86 18.987 12.207 -22.372 1.00 0.00 N ATOM 1403 CA ASN A 86 18.937 11.174 -23.406 1.00 0.00 C ATOM 1404 C ASN A 86 17.521 11.025 -24.001 1.00 0.00 C ATOM 1405 O ASN A 86 17.066 11.903 -24.733 1.00 0.00 O ATOM 1406 CB ASN A 86 19.467 9.836 -22.871 1.00 0.00 C ATOM 1407 CG ASN A 86 19.066 9.559 -21.435 1.00 0.00 C ATOM 1408 OD1 ASN A 86 19.797 8.904 -20.694 1.00 0.00 O ATOM 1409 ND2 ASN A 86 17.904 10.055 -21.030 1.00 0.00 N ATOM 0 H ASN A 86 18.534 11.945 -21.497 1.00 0.00 H new ATOM 0 HA ASN A 86 19.590 11.491 -24.219 1.00 0.00 H new ATOM 0 HB2 ASN A 86 19.100 9.029 -23.505 1.00 0.00 H new ATOM 0 HB3 ASN A 86 20.555 9.829 -22.944 1.00 0.00 H new ATOM 0 HD21 ASN A 86 17.588 9.898 -20.073 1.00 0.00 H new ATOM 0 HD22 ASN A 86 17.326 10.593 -21.676 1.00 0.00 H new ATOM 1416 N GLY A 87 16.824 9.924 -23.687 1.00 0.00 N ATOM 1417 CA GLY A 87 15.484 9.721 -24.207 1.00 0.00 C ATOM 1418 C GLY A 87 14.576 9.014 -23.214 1.00 0.00 C ATOM 1419 O GLY A 87 13.645 8.313 -23.605 1.00 0.00 O ATOM 0 H GLY A 87 17.168 9.176 -23.084 1.00 0.00 H new ATOM 0 HA2 GLY A 87 15.049 10.686 -24.469 1.00 0.00 H new ATOM 0 HA3 GLY A 87 15.539 9.136 -25.125 1.00 0.00 H new ATOM 1423 N ILE A 88 14.856 9.196 -21.925 1.00 0.00 N ATOM 1424 CA ILE A 88 14.076 8.576 -20.871 1.00 0.00 C ATOM 1425 C ILE A 88 12.907 9.466 -20.449 1.00 0.00 C ATOM 1426 O ILE A 88 12.965 10.689 -20.588 1.00 0.00 O ATOM 1427 CB ILE A 88 14.967 8.288 -19.649 1.00 0.00 C ATOM 1428 CG1 ILE A 88 14.196 7.490 -18.612 1.00 0.00 C ATOM 1429 CG2 ILE A 88 15.479 9.588 -19.045 1.00 0.00 C ATOM 1430 CD1 ILE A 88 13.951 6.050 -19.004 1.00 0.00 C ATOM 0 H ILE A 88 15.626 9.775 -21.589 1.00 0.00 H new ATOM 0 HA ILE A 88 13.676 7.640 -21.261 1.00 0.00 H new ATOM 0 HB ILE A 88 15.824 7.699 -19.976 1.00 0.00 H new ATOM 0 HG12 ILE A 88 14.744 7.512 -17.670 1.00 0.00 H new ATOM 0 HG13 ILE A 88 13.237 7.976 -18.434 1.00 0.00 H new ATOM 0 HG21 ILE A 88 16.107 9.366 -18.182 1.00 0.00 H new ATOM 0 HG22 ILE A 88 16.063 10.130 -19.789 1.00 0.00 H new ATOM 0 HG23 ILE A 88 14.634 10.201 -18.731 1.00 0.00 H new ATOM 0 HD11 ILE A 88 13.395 5.547 -18.213 1.00 0.00 H new ATOM 0 HD12 ILE A 88 13.375 6.018 -19.929 1.00 0.00 H new ATOM 0 HD13 ILE A 88 14.906 5.546 -19.153 1.00 0.00 H new ATOM 1442 N TRP A 89 11.847 8.847 -19.936 1.00 0.00 N ATOM 1443 CA TRP A 89 10.665 9.581 -19.497 1.00 0.00 C ATOM 1444 C TRP A 89 10.400 9.378 -18.008 1.00 0.00 C ATOM 1445 O TRP A 89 11.172 8.720 -17.310 1.00 0.00 O ATOM 1446 CB TRP A 89 9.446 9.134 -20.298 1.00 0.00 C ATOM 1447 CG TRP A 89 9.408 9.701 -21.679 1.00 0.00 C ATOM 1448 CD1 TRP A 89 10.237 9.386 -22.714 1.00 0.00 C ATOM 1449 CD2 TRP A 89 8.499 10.687 -22.173 1.00 0.00 C ATOM 1450 NE1 TRP A 89 9.897 10.114 -23.827 1.00 0.00 N ATOM 1451 CE2 TRP A 89 8.831 10.921 -23.520 1.00 0.00 C ATOM 1452 CE3 TRP A 89 7.434 11.395 -21.607 1.00 0.00 C ATOM 1453 CZ2 TRP A 89 8.134 11.832 -24.311 1.00 0.00 C ATOM 1454 CZ3 TRP A 89 6.746 12.299 -22.391 1.00 0.00 C ATOM 1455 CH2 TRP A 89 7.097 12.511 -23.731 1.00 0.00 C ATOM 0 H TRP A 89 11.783 7.836 -19.814 1.00 0.00 H new ATOM 0 HA TRP A 89 10.851 10.641 -19.668 1.00 0.00 H new ATOM 0 HB2 TRP A 89 9.439 8.046 -20.359 1.00 0.00 H new ATOM 0 HB3 TRP A 89 8.542 9.430 -19.766 1.00 0.00 H new ATOM 0 HD1 TRP A 89 11.043 8.669 -22.666 1.00 0.00 H new ATOM 0 HE1 TRP A 89 10.361 10.063 -24.734 1.00 0.00 H new ATOM 0 HE3 TRP A 89 7.155 11.237 -20.576 1.00 0.00 H new ATOM 0 HZ2 TRP A 89 8.402 11.996 -25.344 1.00 0.00 H new ATOM 0 HZ3 TRP A 89 5.923 12.853 -21.964 1.00 0.00 H new ATOM 0 HH2 TRP A 89 6.538 13.225 -24.318 1.00 0.00 H new ATOM 1466 N SER A 90 9.294 9.947 -17.532 1.00 0.00 N ATOM 1467 CA SER A 90 8.906 9.830 -16.130 1.00 0.00 C ATOM 1468 C SER A 90 7.646 8.983 -15.989 1.00 0.00 C ATOM 1469 O SER A 90 6.898 9.125 -15.022 1.00 0.00 O ATOM 1470 CB SER A 90 8.663 11.212 -15.525 1.00 0.00 C ATOM 1471 OG SER A 90 7.426 11.754 -15.963 1.00 0.00 O ATOM 0 H SER A 90 8.649 10.496 -18.101 1.00 0.00 H new ATOM 0 HA SER A 90 9.722 9.344 -15.595 1.00 0.00 H new ATOM 0 HB2 SER A 90 8.667 11.142 -14.437 1.00 0.00 H new ATOM 0 HB3 SER A 90 9.476 11.882 -15.804 1.00 0.00 H new ATOM 0 HG SER A 90 7.466 11.924 -16.927 1.00 0.00 H new ATOM 1477 N GLU A 91 7.412 8.109 -16.962 1.00 0.00 N ATOM 1478 CA GLU A 91 6.236 7.248 -16.947 1.00 0.00 C ATOM 1479 C GLU A 91 4.960 8.083 -16.989 1.00 0.00 C ATOM 1480 O GLU A 91 5.012 9.310 -17.089 1.00 0.00 O ATOM 1481 CB GLU A 91 6.238 6.365 -15.697 1.00 0.00 C ATOM 1482 CG GLU A 91 7.604 5.789 -15.358 1.00 0.00 C ATOM 1483 CD GLU A 91 8.316 5.225 -16.572 1.00 0.00 C ATOM 1484 OE1 GLU A 91 7.969 4.102 -16.995 1.00 0.00 O ATOM 1485 OE2 GLU A 91 9.220 5.906 -17.098 1.00 0.00 O ATOM 0 H GLU A 91 8.021 7.978 -17.770 1.00 0.00 H new ATOM 0 HA GLU A 91 6.268 6.611 -17.831 1.00 0.00 H new ATOM 0 HB2 GLU A 91 5.879 6.949 -14.850 1.00 0.00 H new ATOM 0 HB3 GLU A 91 5.533 5.546 -15.840 1.00 0.00 H new ATOM 0 HG2 GLU A 91 8.221 6.567 -14.908 1.00 0.00 H new ATOM 0 HG3 GLU A 91 7.488 5.003 -14.612 1.00 0.00 H new ATOM 1492 N TRP A 92 3.819 7.412 -16.912 1.00 0.00 N ATOM 1493 CA TRP A 92 2.530 8.090 -16.940 1.00 0.00 C ATOM 1494 C TRP A 92 2.156 8.603 -15.552 1.00 0.00 C ATOM 1495 O TRP A 92 2.545 8.019 -14.541 1.00 0.00 O ATOM 1496 CB TRP A 92 1.446 7.138 -17.444 1.00 0.00 C ATOM 1497 CG TRP A 92 1.456 6.955 -18.929 1.00 0.00 C ATOM 1498 CD1 TRP A 92 1.833 5.836 -19.614 1.00 0.00 C ATOM 1499 CD2 TRP A 92 1.070 7.919 -19.914 1.00 0.00 C ATOM 1500 NE1 TRP A 92 1.699 6.044 -20.965 1.00 0.00 N ATOM 1501 CE2 TRP A 92 1.233 7.315 -21.174 1.00 0.00 C ATOM 1502 CE3 TRP A 92 0.599 9.233 -19.852 1.00 0.00 C ATOM 1503 CZ2 TRP A 92 0.942 7.981 -22.361 1.00 0.00 C ATOM 1504 CZ3 TRP A 92 0.312 9.894 -21.032 1.00 0.00 C ATOM 1505 CH2 TRP A 92 0.482 9.266 -22.272 1.00 0.00 C ATOM 0 H TRP A 92 3.760 6.397 -16.830 1.00 0.00 H new ATOM 0 HA TRP A 92 2.609 8.941 -17.617 1.00 0.00 H new ATOM 0 HB2 TRP A 92 1.575 6.167 -16.965 1.00 0.00 H new ATOM 0 HB3 TRP A 92 0.470 7.517 -17.139 1.00 0.00 H new ATOM 0 HD1 TRP A 92 2.185 4.921 -19.160 1.00 0.00 H new ATOM 0 HE1 TRP A 92 1.912 5.363 -21.694 1.00 0.00 H new ATOM 0 HE3 TRP A 92 0.462 9.723 -18.900 1.00 0.00 H new ATOM 0 HZ2 TRP A 92 1.075 7.500 -23.319 1.00 0.00 H new ATOM 0 HZ3 TRP A 92 -0.049 10.911 -20.997 1.00 0.00 H new ATOM 0 HH2 TRP A 92 0.245 9.807 -23.176 1.00 0.00 H new ATOM 1516 N SER A 93 1.399 9.695 -15.509 1.00 0.00 N ATOM 1517 CA SER A 93 0.976 10.278 -14.241 1.00 0.00 C ATOM 1518 C SER A 93 -0.305 9.625 -13.738 1.00 0.00 C ATOM 1519 O SER A 93 -0.991 8.921 -14.480 1.00 0.00 O ATOM 1520 CB SER A 93 0.753 11.785 -14.388 1.00 0.00 C ATOM 1521 OG SER A 93 -0.403 12.055 -15.161 1.00 0.00 O ATOM 0 H SER A 93 1.067 10.193 -16.335 1.00 0.00 H new ATOM 0 HA SER A 93 1.771 10.100 -13.516 1.00 0.00 H new ATOM 0 HB2 SER A 93 0.650 12.239 -13.402 1.00 0.00 H new ATOM 0 HB3 SER A 93 1.624 12.241 -14.859 1.00 0.00 H new ATOM 0 HG SER A 93 -0.971 12.698 -14.687 1.00 0.00 H new ATOM 1527 N GLU A 94 -0.625 9.871 -12.471 1.00 0.00 N ATOM 1528 CA GLU A 94 -1.829 9.316 -11.858 1.00 0.00 C ATOM 1529 C GLU A 94 -3.039 9.481 -12.776 1.00 0.00 C ATOM 1530 O GLU A 94 -3.457 10.599 -13.077 1.00 0.00 O ATOM 1531 CB GLU A 94 -2.099 9.998 -10.516 1.00 0.00 C ATOM 1532 CG GLU A 94 -2.431 11.476 -10.643 1.00 0.00 C ATOM 1533 CD GLU A 94 -2.218 12.236 -9.348 1.00 0.00 C ATOM 1534 OE1 GLU A 94 -1.632 11.658 -8.409 1.00 0.00 O ATOM 1535 OE2 GLU A 94 -2.637 13.411 -9.274 1.00 0.00 O ATOM 0 H GLU A 94 -0.066 10.453 -11.847 1.00 0.00 H new ATOM 0 HA GLU A 94 -1.664 8.251 -11.695 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -2.925 9.490 -10.019 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -1.223 9.884 -9.877 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -1.813 11.917 -11.425 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -3.469 11.586 -10.958 1.00 0.00 H new ATOM 1542 N ALA A 95 -3.595 8.358 -13.219 1.00 0.00 N ATOM 1543 CA ALA A 95 -4.754 8.374 -14.103 1.00 0.00 C ATOM 1544 C ALA A 95 -5.996 8.877 -13.376 1.00 0.00 C ATOM 1545 O ALA A 95 -6.155 8.660 -12.176 1.00 0.00 O ATOM 1546 CB ALA A 95 -5.002 6.984 -14.670 1.00 0.00 C ATOM 0 H ALA A 95 -3.261 7.424 -12.980 1.00 0.00 H new ATOM 0 HA ALA A 95 -4.543 9.060 -14.923 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -5.870 7.009 -15.329 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -4.128 6.660 -15.234 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -5.186 6.286 -13.854 1.00 0.00 H new ATOM 1552 N ARG A 96 -6.875 9.550 -14.114 1.00 0.00 N ATOM 1553 CA ARG A 96 -8.104 10.083 -13.539 1.00 0.00 C ATOM 1554 C ARG A 96 -9.238 10.067 -14.560 1.00 0.00 C ATOM 1555 O ARG A 96 -9.008 10.209 -15.764 1.00 0.00 O ATOM 1556 CB ARG A 96 -7.881 11.508 -13.030 1.00 0.00 C ATOM 1557 CG ARG A 96 -6.902 11.598 -11.871 1.00 0.00 C ATOM 1558 CD ARG A 96 -7.495 11.030 -10.590 1.00 0.00 C ATOM 1559 NE ARG A 96 -6.807 11.529 -9.401 1.00 0.00 N ATOM 1560 CZ ARG A 96 -7.121 11.168 -8.162 1.00 0.00 C ATOM 1561 NH1 ARG A 96 -8.106 10.306 -7.949 1.00 0.00 N ATOM 1562 NH2 ARG A 96 -6.450 11.670 -7.132 1.00 0.00 N ATOM 0 H ARG A 96 -6.758 9.738 -15.110 1.00 0.00 H new ATOM 0 HA ARG A 96 -8.386 9.446 -12.701 1.00 0.00 H new ATOM 0 HB2 ARG A 96 -7.515 12.124 -13.851 1.00 0.00 H new ATOM 0 HB3 ARG A 96 -8.838 11.927 -12.719 1.00 0.00 H new ATOM 0 HG2 ARG A 96 -5.990 11.056 -12.122 1.00 0.00 H new ATOM 0 HG3 ARG A 96 -6.621 12.639 -11.712 1.00 0.00 H new ATOM 0 HD2 ARG A 96 -8.552 11.290 -10.533 1.00 0.00 H new ATOM 0 HD3 ARG A 96 -7.435 9.942 -10.614 1.00 0.00 H new ATOM 0 HE ARG A 96 -6.043 12.192 -9.530 1.00 0.00 H new ATOM 0 HH11 ARG A 96 -8.624 9.919 -8.738 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -8.345 10.030 -6.997 1.00 0.00 H new ATOM 0 HH21 ARG A 96 -5.692 12.334 -7.292 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -6.692 11.392 -6.181 1.00 0.00 H new ATOM 1576 N SER A 97 -10.461 9.896 -14.067 1.00 0.00 N ATOM 1577 CA SER A 97 -11.639 9.862 -14.925 1.00 0.00 C ATOM 1578 C SER A 97 -12.553 11.047 -14.634 1.00 0.00 C ATOM 1579 O SER A 97 -12.598 11.546 -13.510 1.00 0.00 O ATOM 1580 CB SER A 97 -12.405 8.552 -14.719 1.00 0.00 C ATOM 1581 OG SER A 97 -11.764 7.732 -13.759 1.00 0.00 O ATOM 0 H SER A 97 -10.662 9.778 -13.074 1.00 0.00 H new ATOM 0 HA SER A 97 -11.308 9.924 -15.962 1.00 0.00 H new ATOM 0 HB2 SER A 97 -13.423 8.769 -14.395 1.00 0.00 H new ATOM 0 HB3 SER A 97 -12.480 8.018 -15.666 1.00 0.00 H new ATOM 0 HG SER A 97 -11.652 6.829 -14.123 1.00 0.00 H new ATOM 1587 N TRP A 98 -13.286 11.492 -15.652 1.00 0.00 N ATOM 1588 CA TRP A 98 -14.201 12.618 -15.495 1.00 0.00 C ATOM 1589 C TRP A 98 -15.382 12.498 -16.455 1.00 0.00 C ATOM 1590 O TRP A 98 -15.272 11.890 -17.520 1.00 0.00 O ATOM 1591 CB TRP A 98 -13.464 13.944 -15.718 1.00 0.00 C ATOM 1592 CG TRP A 98 -13.172 14.246 -17.157 1.00 0.00 C ATOM 1593 CD1 TRP A 98 -13.950 14.968 -18.016 1.00 0.00 C ATOM 1594 CD2 TRP A 98 -12.021 13.839 -17.905 1.00 0.00 C ATOM 1595 NE1 TRP A 98 -13.351 15.033 -19.251 1.00 0.00 N ATOM 1596 CE2 TRP A 98 -12.167 14.346 -19.205 1.00 0.00 C ATOM 1597 CE3 TRP A 98 -10.881 13.094 -17.604 1.00 0.00 C ATOM 1598 CZ2 TRP A 98 -11.213 14.131 -20.193 1.00 0.00 C ATOM 1599 CZ3 TRP A 98 -9.938 12.882 -18.589 1.00 0.00 C ATOM 1600 CH2 TRP A 98 -10.112 13.402 -19.871 1.00 0.00 C ATOM 0 H TRP A 98 -13.264 11.092 -16.590 1.00 0.00 H new ATOM 0 HA TRP A 98 -14.587 12.601 -14.476 1.00 0.00 H new ATOM 0 HB2 TRP A 98 -14.062 14.755 -15.302 1.00 0.00 H new ATOM 0 HB3 TRP A 98 -12.525 13.924 -15.164 1.00 0.00 H new ATOM 0 HD1 TRP A 98 -14.897 15.421 -17.762 1.00 0.00 H new ATOM 0 HE1 TRP A 98 -13.727 15.514 -20.068 1.00 0.00 H new ATOM 0 HE3 TRP A 98 -10.738 12.688 -16.613 1.00 0.00 H new ATOM 0 HZ2 TRP A 98 -11.343 14.532 -21.188 1.00 0.00 H new ATOM 0 HZ3 TRP A 98 -9.053 12.305 -18.364 1.00 0.00 H new ATOM 0 HH2 TRP A 98 -9.357 13.222 -20.622 1.00 0.00 H new ATOM 1611 N ASP A 99 -16.512 13.079 -16.068 1.00 0.00 N ATOM 1612 CA ASP A 99 -17.717 13.036 -16.890 1.00 0.00 C ATOM 1613 C ASP A 99 -17.715 14.154 -17.925 1.00 0.00 C ATOM 1614 O ASP A 99 -17.199 15.243 -17.678 1.00 0.00 O ATOM 1615 CB ASP A 99 -18.962 13.145 -16.011 1.00 0.00 C ATOM 1616 CG ASP A 99 -19.055 12.022 -14.997 1.00 0.00 C ATOM 1617 OD1 ASP A 99 -18.545 10.919 -15.288 1.00 0.00 O ATOM 1618 OD2 ASP A 99 -19.637 12.244 -13.915 1.00 0.00 O ATOM 0 H ASP A 99 -16.619 13.586 -15.189 1.00 0.00 H new ATOM 0 HA ASP A 99 -17.731 12.081 -17.415 1.00 0.00 H new ATOM 0 HB2 ASP A 99 -18.952 14.102 -15.489 1.00 0.00 H new ATOM 0 HB3 ASP A 99 -19.851 13.135 -16.642 1.00 0.00 H new ATOM 1623 N THR A 100 -18.302 13.876 -19.083 1.00 0.00 N ATOM 1624 CA THR A 100 -18.373 14.859 -20.158 1.00 0.00 C ATOM 1625 C THR A 100 -19.761 15.484 -20.235 1.00 0.00 C ATOM 1626 O THR A 100 -20.177 15.974 -21.285 1.00 0.00 O ATOM 1627 CB THR A 100 -18.028 14.209 -21.489 1.00 0.00 C ATOM 1628 OG1 THR A 100 -18.442 12.855 -21.511 1.00 0.00 O ATOM 1629 CG2 THR A 100 -16.550 14.245 -21.795 1.00 0.00 C ATOM 0 H THR A 100 -18.735 12.979 -19.302 1.00 0.00 H new ATOM 0 HA THR A 100 -17.650 15.646 -19.943 1.00 0.00 H new ATOM 0 HB THR A 100 -18.557 14.790 -22.245 1.00 0.00 H new ATOM 0 HG1 THR A 100 -18.825 12.644 -22.388 1.00 0.00 H new ATOM 0 HG21 THR A 100 -16.366 13.767 -22.757 1.00 0.00 H new ATOM 0 HG22 THR A 100 -16.212 15.280 -21.834 1.00 0.00 H new ATOM 0 HG23 THR A 100 -16.004 13.714 -21.015 1.00 0.00 H new ATOM 1637 N GLU A 101 -20.469 15.464 -19.116 1.00 0.00 N ATOM 1638 CA GLU A 101 -21.813 16.028 -19.042 1.00 0.00 C ATOM 1639 C GLU A 101 -22.816 15.150 -19.785 1.00 0.00 C ATOM 1640 O GLU A 101 -22.986 15.276 -20.998 1.00 0.00 O ATOM 1641 CB GLU A 101 -21.829 17.444 -19.619 1.00 0.00 C ATOM 1642 CG GLU A 101 -22.301 18.497 -18.631 1.00 0.00 C ATOM 1643 CD GLU A 101 -23.697 18.221 -18.106 1.00 0.00 C ATOM 1644 OE1 GLU A 101 -24.634 18.139 -18.928 1.00 0.00 O ATOM 1645 OE2 GLU A 101 -23.852 18.085 -16.874 1.00 0.00 O ATOM 0 H GLU A 101 -20.135 15.061 -18.240 1.00 0.00 H new ATOM 0 HA GLU A 101 -22.104 16.069 -17.992 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -20.826 17.700 -19.959 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -22.477 17.463 -20.495 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -21.604 18.542 -17.794 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -22.285 19.475 -19.112 1.00 0.00 H new ATOM 1652 N SER A 102 -23.478 14.264 -19.048 1.00 0.00 N ATOM 1653 CA SER A 102 -24.464 13.365 -19.635 1.00 0.00 C ATOM 1654 C SER A 102 -25.726 14.123 -20.032 1.00 0.00 C ATOM 1655 O SER A 102 -26.465 14.557 -19.122 1.00 0.00 O ATOM 1656 CB SER A 102 -24.816 12.248 -18.651 1.00 0.00 C ATOM 1657 OG SER A 102 -25.533 11.209 -19.293 1.00 0.00 O ATOM 1658 OXT SER A 102 -25.967 14.276 -21.248 1.00 0.00 O ATOM 0 H SER A 102 -23.349 14.150 -18.043 1.00 0.00 H new ATOM 0 HA SER A 102 -24.028 12.927 -20.533 1.00 0.00 H new ATOM 0 HB2 SER A 102 -23.903 11.846 -18.211 1.00 0.00 H new ATOM 0 HB3 SER A 102 -25.412 12.654 -17.834 1.00 0.00 H new ATOM 0 HG SER A 102 -25.744 10.507 -18.643 1.00 0.00 H new TER 1664 SER A 102