USER MOD reduce.3.24.130724 H: found=0, std=0, add=987, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 981 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 79 THR OG1 : rot 67:sc= -0.888! USER MOD Set 1.2: A 80 HIS : no HD1:sc= -8.52! C(o=-13!,f=-22!) USER MOD Set 1.3: A 102 HIS : no HD1:sc= -3.5! K(o=-13!,f=-11) USER MOD Set 2.1: A 47 TYR OH : rot -30:sc= -1.58 USER MOD Set 2.2: A 49 CYS SG : rot 159:sc= -1.95 USER MOD Set 3.1: A 44 CYS SG : rot 47:sc= 1.09 USER MOD Set 3.2: A 118 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 33:sc= 0.314 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 42:sc= 0.639 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 29:sc= 0.0163 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 12 CYS SG : rot 180:sc= 0 USER MOD Single : A 13 ASN : amide:sc= 0 X(o=0,f=-0.16) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 16 ASN : amide:sc= -0.0103 X(o=-0.01,f=-0.018) USER MOD Single : A 17 SER OG : rot 67:sc= 1.21 USER MOD Single : A 18 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.137) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc= -0.0475 X(o=-0.047,f=-0.54) USER MOD Single : A 28 ASN : amide:sc= -0.365 K(o=-0.37,f=-1.2) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 35 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 52 SER OG : rot 39:sc= 0.738 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ 137:sc= 0.955 (180deg=-0.626!) USER MOD Single : A 64 ASN : amide:sc= -0.146 K(o=-0.15,f=-1.7!) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 72 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 73 GLN : amide:sc= -1.24 K(o=-1.2,f=-5.4!) USER MOD Single : A 75 ASN : amide:sc= -6.12! C(o=-6.1!,f=-9.6!) USER MOD Single : A 86 TYR OH : rot 180:sc= 0 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 GLN : amide:sc= 0.129 X(o=0.13,f=0) USER MOD Single : A 95 ASN : amide:sc= 0 X(o=0,f=0.23) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 SER OG : rot -131:sc= 0.427! USER MOD Single : A 99 HIS : no HD1:sc=-0.00115 X(o=-0.0012,f=0) USER MOD Single : A 107 LYS NZ :NH3+ 155:sc= -0.0178 (180deg=-0.0292) USER MOD Single : A 112 CYS SG : rot -159:sc= -8.6! USER MOD Single : A 114 SER OG : rot -150:sc= -0.547 USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 TYR OH : rot 180:sc= 0 USER MOD Single : A 120 SER OG : rot 180:sc= 0 USER MOD Single : A 124 TYR OH : rot -115:sc= -2.01! USER MOD Single : A 126 HIS : no HD1:sc= -0.414 X(o=-0.41,f=0) USER MOD Single : A 127 SER OG : rot 180:sc= 0 USER MOD Single : A 130 SER OG : rot 180:sc= 0 USER MOD Single : A 131 SER OG : rot 40:sc= 0.605 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -36.343 12.660 18.930 1.00 0.00 N ATOM 2 CA GLY A 1 -34.960 13.106 18.921 1.00 0.00 C ATOM 3 C GLY A 1 -34.411 13.163 17.495 1.00 0.00 C ATOM 4 O GLY A 1 -35.005 13.794 16.621 1.00 0.00 O ATOM 0 H1 GLY A 1 -36.692 12.630 19.909 1.00 0.00 H new ATOM 0 H2 GLY A 1 -36.924 13.320 18.376 1.00 0.00 H new ATOM 0 H3 GLY A 1 -36.404 11.710 18.512 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -34.889 14.092 19.381 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -34.352 12.429 19.522 1.00 0.00 H new ATOM 8 N SER A 2 -33.282 12.495 17.302 1.00 0.00 N ATOM 9 CA SER A 2 -32.646 12.462 15.996 1.00 0.00 C ATOM 10 C SER A 2 -33.062 11.196 15.244 1.00 0.00 C ATOM 11 O SER A 2 -32.843 10.085 15.723 1.00 0.00 O ATOM 12 CB SER A 2 -31.123 12.528 16.123 1.00 0.00 C ATOM 13 OG SER A 2 -30.596 11.398 16.813 1.00 0.00 O ATOM 0 H SER A 2 -32.792 11.973 18.028 1.00 0.00 H new ATOM 0 HA SER A 2 -32.974 13.336 15.433 1.00 0.00 H new ATOM 0 HB2 SER A 2 -30.678 12.586 15.129 1.00 0.00 H new ATOM 0 HB3 SER A 2 -30.842 13.439 16.652 1.00 0.00 H new ATOM 0 HG SER A 2 -31.142 10.609 16.613 1.00 0.00 H new ATOM 19 N SER A 3 -33.654 11.407 14.077 1.00 0.00 N ATOM 20 CA SER A 3 -34.102 10.296 13.254 1.00 0.00 C ATOM 21 C SER A 3 -32.974 9.276 13.092 1.00 0.00 C ATOM 22 O SER A 3 -31.805 9.648 13.001 1.00 0.00 O ATOM 23 CB SER A 3 -34.578 10.783 11.884 1.00 0.00 C ATOM 24 OG SER A 3 -35.997 10.904 11.824 1.00 0.00 O ATOM 0 H SER A 3 -33.834 12.330 13.682 1.00 0.00 H new ATOM 0 HA SER A 3 -34.945 9.819 13.753 1.00 0.00 H new ATOM 0 HB2 SER A 3 -34.122 11.748 11.664 1.00 0.00 H new ATOM 0 HB3 SER A 3 -34.240 10.088 11.115 1.00 0.00 H new ATOM 0 HG SER A 3 -36.261 11.219 10.934 1.00 0.00 H new ATOM 30 N GLY A 4 -33.363 8.010 13.062 1.00 0.00 N ATOM 31 CA GLY A 4 -32.399 6.934 12.913 1.00 0.00 C ATOM 32 C GLY A 4 -32.661 6.136 11.634 1.00 0.00 C ATOM 33 O GLY A 4 -33.643 5.400 11.547 1.00 0.00 O ATOM 0 H GLY A 4 -34.333 7.705 13.138 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -31.390 7.346 12.889 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -32.452 6.271 13.777 1.00 0.00 H new ATOM 37 N SER A 5 -31.766 6.308 10.672 1.00 0.00 N ATOM 38 CA SER A 5 -31.888 5.614 9.402 1.00 0.00 C ATOM 39 C SER A 5 -30.703 5.961 8.499 1.00 0.00 C ATOM 40 O SER A 5 -30.700 7.004 7.847 1.00 0.00 O ATOM 41 CB SER A 5 -33.206 5.964 8.707 1.00 0.00 C ATOM 42 OG SER A 5 -33.340 7.366 8.494 1.00 0.00 O ATOM 0 H SER A 5 -30.953 6.919 10.747 1.00 0.00 H new ATOM 0 HA SER A 5 -31.885 4.542 9.597 1.00 0.00 H new ATOM 0 HB2 SER A 5 -33.260 5.445 7.750 1.00 0.00 H new ATOM 0 HB3 SER A 5 -34.040 5.607 9.311 1.00 0.00 H new ATOM 0 HG SER A 5 -32.486 7.733 8.184 1.00 0.00 H new ATOM 48 N SER A 6 -29.725 5.068 8.490 1.00 0.00 N ATOM 49 CA SER A 6 -28.537 5.267 7.678 1.00 0.00 C ATOM 50 C SER A 6 -27.779 3.947 7.526 1.00 0.00 C ATOM 51 O SER A 6 -27.589 3.461 6.412 1.00 0.00 O ATOM 52 CB SER A 6 -27.626 6.335 8.287 1.00 0.00 C ATOM 53 OG SER A 6 -26.988 7.126 7.288 1.00 0.00 O ATOM 0 H SER A 6 -29.731 4.204 9.032 1.00 0.00 H new ATOM 0 HA SER A 6 -28.851 5.614 6.693 1.00 0.00 H new ATOM 0 HB2 SER A 6 -28.212 6.981 8.941 1.00 0.00 H new ATOM 0 HB3 SER A 6 -26.869 5.855 8.907 1.00 0.00 H new ATOM 0 HG SER A 6 -26.417 7.797 7.717 1.00 0.00 H new ATOM 59 N GLY A 7 -27.367 3.404 8.662 1.00 0.00 N ATOM 60 CA GLY A 7 -26.634 2.149 8.669 1.00 0.00 C ATOM 61 C GLY A 7 -25.408 2.235 9.581 1.00 0.00 C ATOM 62 O GLY A 7 -25.502 2.712 10.711 1.00 0.00 O ATOM 0 H GLY A 7 -27.527 3.810 9.584 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -27.287 1.344 9.007 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -26.321 1.901 7.655 1.00 0.00 H new ATOM 66 N SER A 8 -24.286 1.766 9.055 1.00 0.00 N ATOM 67 CA SER A 8 -23.043 1.784 9.807 1.00 0.00 C ATOM 68 C SER A 8 -21.860 1.991 8.859 1.00 0.00 C ATOM 69 O SER A 8 -21.962 1.715 7.665 1.00 0.00 O ATOM 70 CB SER A 8 -22.863 0.492 10.605 1.00 0.00 C ATOM 71 OG SER A 8 -23.419 0.590 11.914 1.00 0.00 O ATOM 0 H SER A 8 -24.212 1.371 8.117 1.00 0.00 H new ATOM 0 HA SER A 8 -23.084 2.613 10.514 1.00 0.00 H new ATOM 0 HB2 SER A 8 -23.336 -0.332 10.071 1.00 0.00 H new ATOM 0 HB3 SER A 8 -21.801 0.257 10.679 1.00 0.00 H new ATOM 0 HG SER A 8 -24.173 1.216 11.903 1.00 0.00 H new ATOM 77 N GLU A 9 -20.765 2.476 9.426 1.00 0.00 N ATOM 78 CA GLU A 9 -19.565 2.723 8.646 1.00 0.00 C ATOM 79 C GLU A 9 -18.372 2.972 9.572 1.00 0.00 C ATOM 80 O GLU A 9 -18.487 3.704 10.554 1.00 0.00 O ATOM 81 CB GLU A 9 -19.767 3.896 7.685 1.00 0.00 C ATOM 82 CG GLU A 9 -19.989 5.201 8.451 1.00 0.00 C ATOM 83 CD GLU A 9 -20.887 6.156 7.662 1.00 0.00 C ATOM 84 OE1 GLU A 9 -20.502 6.480 6.517 1.00 0.00 O ATOM 85 OE2 GLU A 9 -21.937 6.539 8.220 1.00 0.00 O ATOM 0 H GLU A 9 -20.684 2.704 10.417 1.00 0.00 H new ATOM 0 HA GLU A 9 -19.356 1.837 8.046 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -18.896 3.994 7.037 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -20.623 3.699 7.040 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -20.443 4.986 9.418 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -19.029 5.679 8.648 1.00 0.00 H new ATOM 92 N SER A 10 -17.255 2.350 9.225 1.00 0.00 N ATOM 93 CA SER A 10 -16.042 2.495 10.013 1.00 0.00 C ATOM 94 C SER A 10 -15.643 3.970 10.091 1.00 0.00 C ATOM 95 O SER A 10 -15.870 4.729 9.149 1.00 0.00 O ATOM 96 CB SER A 10 -14.900 1.666 9.423 1.00 0.00 C ATOM 97 OG SER A 10 -13.987 1.226 10.425 1.00 0.00 O ATOM 0 H SER A 10 -17.164 1.745 8.409 1.00 0.00 H new ATOM 0 HA SER A 10 -16.240 2.125 11.019 1.00 0.00 H new ATOM 0 HB2 SER A 10 -15.311 0.801 8.902 1.00 0.00 H new ATOM 0 HB3 SER A 10 -14.366 2.260 8.682 1.00 0.00 H new ATOM 0 HG SER A 10 -13.274 0.699 10.009 1.00 0.00 H new ATOM 103 N ILE A 11 -15.054 4.332 11.221 1.00 0.00 N ATOM 104 CA ILE A 11 -14.621 5.702 11.434 1.00 0.00 C ATOM 105 C ILE A 11 -13.621 6.092 10.343 1.00 0.00 C ATOM 106 O ILE A 11 -12.626 5.401 10.132 1.00 0.00 O ATOM 107 CB ILE A 11 -14.080 5.879 12.854 1.00 0.00 C ATOM 108 CG1 ILE A 11 -13.666 7.330 13.107 1.00 0.00 C ATOM 109 CG2 ILE A 11 -12.937 4.900 13.131 1.00 0.00 C ATOM 110 CD1 ILE A 11 -14.861 8.171 13.558 1.00 0.00 C ATOM 0 H ILE A 11 -14.866 3.700 11.999 1.00 0.00 H new ATOM 0 HA ILE A 11 -15.466 6.385 11.352 1.00 0.00 H new ATOM 0 HB ILE A 11 -14.881 5.646 13.556 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -12.887 7.362 13.868 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -13.241 7.754 12.197 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -12.570 5.047 14.147 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -13.299 3.878 13.020 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -12.127 5.077 12.424 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -14.539 9.198 13.731 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -15.629 8.157 12.784 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -15.269 7.758 14.481 1.00 0.00 H new ATOM 122 N CYS A 12 -13.922 7.197 9.677 1.00 0.00 N ATOM 123 CA CYS A 12 -13.063 7.687 8.613 1.00 0.00 C ATOM 124 C CYS A 12 -12.796 9.174 8.856 1.00 0.00 C ATOM 125 O CYS A 12 -13.731 9.961 8.997 1.00 0.00 O ATOM 126 CB CYS A 12 -13.673 7.435 7.232 1.00 0.00 C ATOM 127 SG CYS A 12 -12.434 6.657 6.133 1.00 0.00 S ATOM 0 H CYS A 12 -14.749 7.767 9.854 1.00 0.00 H new ATOM 0 HA CYS A 12 -12.119 7.143 8.626 1.00 0.00 H new ATOM 0 HB2 CYS A 12 -14.546 6.789 7.323 1.00 0.00 H new ATOM 0 HB3 CYS A 12 -14.015 8.375 6.800 1.00 0.00 H new ATOM 0 HG CYS A 12 -12.963 6.445 4.964 1.00 0.00 H new ATOM 133 N ASN A 13 -11.516 9.513 8.898 1.00 0.00 N ATOM 134 CA ASN A 13 -11.114 10.892 9.122 1.00 0.00 C ATOM 135 C ASN A 13 -11.228 11.671 7.811 1.00 0.00 C ATOM 136 O ASN A 13 -10.917 11.145 6.743 1.00 0.00 O ATOM 137 CB ASN A 13 -9.662 10.972 9.596 1.00 0.00 C ATOM 138 CG ASN A 13 -9.511 10.394 11.004 1.00 0.00 C ATOM 139 OD1 ASN A 13 -10.257 10.711 11.916 1.00 0.00 O ATOM 140 ND2 ASN A 13 -8.507 9.530 11.130 1.00 0.00 N ATOM 0 H ASN A 13 -10.744 8.857 8.781 1.00 0.00 H new ATOM 0 HA ASN A 13 -11.766 11.314 9.887 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -9.020 10.427 8.905 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -9.330 12.010 9.588 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -8.324 9.089 12.031 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -7.920 9.309 10.325 1.00 0.00 H new ATOM 147 N SER A 14 -11.674 12.913 7.934 1.00 0.00 N ATOM 148 CA SER A 14 -11.833 13.770 6.772 1.00 0.00 C ATOM 149 C SER A 14 -11.070 15.080 6.980 1.00 0.00 C ATOM 150 O SER A 14 -11.356 15.827 7.915 1.00 0.00 O ATOM 151 CB SER A 14 -13.310 14.053 6.494 1.00 0.00 C ATOM 152 OG SER A 14 -13.500 14.728 5.253 1.00 0.00 O ATOM 0 H SER A 14 -11.930 13.346 8.821 1.00 0.00 H new ATOM 0 HA SER A 14 -11.422 13.252 5.906 1.00 0.00 H new ATOM 0 HB2 SER A 14 -13.863 13.114 6.484 1.00 0.00 H new ATOM 0 HB3 SER A 14 -13.722 14.657 7.302 1.00 0.00 H new ATOM 0 HG SER A 14 -14.456 14.889 5.111 1.00 0.00 H new ATOM 158 N LEU A 15 -10.116 15.320 6.093 1.00 0.00 N ATOM 159 CA LEU A 15 -9.311 16.527 6.168 1.00 0.00 C ATOM 160 C LEU A 15 -8.303 16.535 5.017 1.00 0.00 C ATOM 161 O LEU A 15 -7.471 15.636 4.909 1.00 0.00 O ATOM 162 CB LEU A 15 -8.666 16.656 7.550 1.00 0.00 C ATOM 163 CG LEU A 15 -9.159 17.819 8.413 1.00 0.00 C ATOM 164 CD1 LEU A 15 -9.351 17.380 9.866 1.00 0.00 C ATOM 165 CD2 LEU A 15 -8.223 19.023 8.298 1.00 0.00 C ATOM 0 H LEU A 15 -9.882 14.699 5.318 1.00 0.00 H new ATOM 0 HA LEU A 15 -9.938 17.411 6.050 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -8.834 15.728 8.096 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -7.589 16.758 7.418 1.00 0.00 H new ATOM 0 HG LEU A 15 -10.134 18.132 8.039 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -9.702 18.225 10.458 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -10.086 16.577 9.909 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -8.402 17.025 10.267 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -8.597 19.835 8.921 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -7.224 18.740 8.631 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -8.180 19.353 7.260 1.00 0.00 H new ATOM 177 N ASN A 16 -8.412 17.560 4.185 1.00 0.00 N ATOM 178 CA ASN A 16 -7.521 17.698 3.045 1.00 0.00 C ATOM 179 C ASN A 16 -6.216 18.354 3.500 1.00 0.00 C ATOM 180 O ASN A 16 -6.121 19.579 3.560 1.00 0.00 O ATOM 181 CB ASN A 16 -8.143 18.582 1.963 1.00 0.00 C ATOM 182 CG ASN A 16 -8.958 17.747 0.974 1.00 0.00 C ATOM 183 OD1 ASN A 16 -9.756 16.901 1.345 1.00 0.00 O ATOM 184 ND2 ASN A 16 -8.715 18.030 -0.303 1.00 0.00 N ATOM 0 H ASN A 16 -9.104 18.303 4.277 1.00 0.00 H new ATOM 0 HA ASN A 16 -7.339 16.704 2.637 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -8.784 19.332 2.426 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -7.357 19.118 1.431 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -9.209 17.527 -1.040 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -8.034 18.750 -0.545 1.00 0.00 H new ATOM 191 N SER A 17 -5.242 17.510 3.808 1.00 0.00 N ATOM 192 CA SER A 17 -3.947 17.993 4.256 1.00 0.00 C ATOM 193 C SER A 17 -3.049 16.812 4.630 1.00 0.00 C ATOM 194 O SER A 17 -3.541 15.742 4.985 1.00 0.00 O ATOM 195 CB SER A 17 -4.094 18.945 5.444 1.00 0.00 C ATOM 196 OG SER A 17 -4.131 20.309 5.034 1.00 0.00 O ATOM 0 H SER A 17 -5.324 16.495 3.756 1.00 0.00 H new ATOM 0 HA SER A 17 -3.487 18.546 3.437 1.00 0.00 H new ATOM 0 HB2 SER A 17 -5.007 18.706 5.990 1.00 0.00 H new ATOM 0 HB3 SER A 17 -3.263 18.796 6.133 1.00 0.00 H new ATOM 0 HG SER A 17 -4.953 20.476 4.528 1.00 0.00 H new ATOM 202 N LYS A 18 -1.748 17.046 4.538 1.00 0.00 N ATOM 203 CA LYS A 18 -0.777 16.015 4.863 1.00 0.00 C ATOM 204 C LYS A 18 -1.239 15.261 6.111 1.00 0.00 C ATOM 205 O LYS A 18 -1.801 15.857 7.029 1.00 0.00 O ATOM 206 CB LYS A 18 0.623 16.619 4.992 1.00 0.00 C ATOM 207 CG LYS A 18 1.540 16.122 3.873 1.00 0.00 C ATOM 208 CD LYS A 18 2.844 16.922 3.837 1.00 0.00 C ATOM 209 CE LYS A 18 3.989 16.131 4.472 1.00 0.00 C ATOM 210 NZ LYS A 18 3.762 15.966 5.925 1.00 0.00 N ATOM 0 H LYS A 18 -1.344 17.935 4.243 1.00 0.00 H new ATOM 0 HA LYS A 18 -0.711 15.286 4.056 1.00 0.00 H new ATOM 0 HB2 LYS A 18 0.558 17.707 4.958 1.00 0.00 H new ATOM 0 HB3 LYS A 18 1.049 16.355 5.960 1.00 0.00 H new ATOM 0 HG2 LYS A 18 1.761 15.065 4.022 1.00 0.00 H new ATOM 0 HG3 LYS A 18 1.029 16.209 2.914 1.00 0.00 H new ATOM 0 HD2 LYS A 18 3.095 17.168 2.805 1.00 0.00 H new ATOM 0 HD3 LYS A 18 2.711 17.865 4.367 1.00 0.00 H new ATOM 0 HE2 LYS A 18 4.070 15.153 3.997 1.00 0.00 H new ATOM 0 HE3 LYS A 18 4.934 16.647 4.302 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 4.608 15.548 6.363 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 3.572 16.894 6.354 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 2.946 15.340 6.080 1.00 0.00 H new ATOM 224 N LEU A 19 -0.985 13.960 6.106 1.00 0.00 N ATOM 225 CA LEU A 19 -1.368 13.118 7.226 1.00 0.00 C ATOM 226 C LEU A 19 -0.462 11.886 7.265 1.00 0.00 C ATOM 227 O LEU A 19 0.140 11.521 6.256 1.00 0.00 O ATOM 228 CB LEU A 19 -2.859 12.783 7.160 1.00 0.00 C ATOM 229 CG LEU A 19 -3.777 13.634 8.040 1.00 0.00 C ATOM 230 CD1 LEU A 19 -5.228 13.550 7.560 1.00 0.00 C ATOM 231 CD2 LEU A 19 -3.638 13.247 9.514 1.00 0.00 C ATOM 0 H LEU A 19 -0.518 13.469 5.343 1.00 0.00 H new ATOM 0 HA LEU A 19 -1.226 13.649 8.167 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -3.188 12.881 6.125 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -2.989 11.737 7.438 1.00 0.00 H new ATOM 0 HG LEU A 19 -3.467 14.675 7.950 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -5.860 14.164 8.202 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -5.293 13.912 6.534 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -5.566 12.514 7.602 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -4.301 13.867 10.117 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -3.906 12.198 9.642 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -2.607 13.400 9.835 1.00 0.00 H new ATOM 243 N GLU A 20 -0.393 11.278 8.441 1.00 0.00 N ATOM 244 CA GLU A 20 0.429 10.094 8.624 1.00 0.00 C ATOM 245 C GLU A 20 0.227 9.122 7.460 1.00 0.00 C ATOM 246 O GLU A 20 -0.833 9.107 6.837 1.00 0.00 O ATOM 247 CB GLU A 20 0.126 9.418 9.963 1.00 0.00 C ATOM 248 CG GLU A 20 1.401 9.243 10.790 1.00 0.00 C ATOM 249 CD GLU A 20 1.593 7.781 11.198 1.00 0.00 C ATOM 250 OE1 GLU A 20 1.102 6.913 10.446 1.00 0.00 O ATOM 251 OE2 GLU A 20 2.227 7.566 12.254 1.00 0.00 O ATOM 0 H GLU A 20 -0.893 11.583 9.276 1.00 0.00 H new ATOM 0 HA GLU A 20 1.475 10.400 8.638 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -0.595 10.016 10.521 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -0.334 8.446 9.788 1.00 0.00 H new ATOM 0 HG2 GLU A 20 2.262 9.579 10.213 1.00 0.00 H new ATOM 0 HG3 GLU A 20 1.350 9.869 11.681 1.00 0.00 H new ATOM 258 N PRO A 21 1.287 8.312 7.197 1.00 0.00 N ATOM 259 CA PRO A 21 1.236 7.339 6.119 1.00 0.00 C ATOM 260 C PRO A 21 0.371 6.138 6.506 1.00 0.00 C ATOM 261 O PRO A 21 0.885 5.038 6.709 1.00 0.00 O ATOM 262 CB PRO A 21 2.686 6.967 5.856 1.00 0.00 C ATOM 263 CG PRO A 21 3.456 7.389 7.097 1.00 0.00 C ATOM 264 CD PRO A 21 2.558 8.302 7.915 1.00 0.00 C ATOM 0 HA PRO A 21 0.771 7.735 5.216 1.00 0.00 H new ATOM 0 HB2 PRO A 21 2.788 5.897 5.678 1.00 0.00 H new ATOM 0 HB3 PRO A 21 3.065 7.475 4.969 1.00 0.00 H new ATOM 0 HG2 PRO A 21 3.746 6.516 7.681 1.00 0.00 H new ATOM 0 HG3 PRO A 21 4.374 7.906 6.819 1.00 0.00 H new ATOM 0 HD2 PRO A 21 2.435 7.929 8.932 1.00 0.00 H new ATOM 0 HD3 PRO A 21 2.977 9.305 7.992 1.00 0.00 H new ATOM 272 N THR A 22 -0.927 6.388 6.596 1.00 0.00 N ATOM 273 CA THR A 22 -1.868 5.341 6.955 1.00 0.00 C ATOM 274 C THR A 22 -2.827 5.066 5.796 1.00 0.00 C ATOM 275 O THR A 22 -3.115 5.958 4.999 1.00 0.00 O ATOM 276 CB THR A 22 -2.577 5.763 8.244 1.00 0.00 C ATOM 277 OG1 THR A 22 -3.242 6.973 7.893 1.00 0.00 O ATOM 278 CG2 THR A 22 -1.596 6.181 9.341 1.00 0.00 C ATOM 0 H THR A 22 -1.349 7.301 6.426 1.00 0.00 H new ATOM 0 HA THR A 22 -1.356 4.397 7.143 1.00 0.00 H new ATOM 0 HB THR A 22 -3.196 4.941 8.605 1.00 0.00 H new ATOM 0 HG1 THR A 22 -3.729 7.316 8.671 1.00 0.00 H new ATOM 0 HG21 THR A 22 -2.150 6.471 10.234 1.00 0.00 H new ATOM 0 HG22 THR A 22 -0.938 5.345 9.578 1.00 0.00 H new ATOM 0 HG23 THR A 22 -1.000 7.025 8.994 1.00 0.00 H new ATOM 286 N LEU A 23 -3.296 3.828 5.738 1.00 0.00 N ATOM 287 CA LEU A 23 -4.217 3.424 4.689 1.00 0.00 C ATOM 288 C LEU A 23 -5.306 4.488 4.536 1.00 0.00 C ATOM 289 O LEU A 23 -5.393 5.148 3.502 1.00 0.00 O ATOM 290 CB LEU A 23 -4.761 2.021 4.965 1.00 0.00 C ATOM 291 CG LEU A 23 -4.918 1.111 3.746 1.00 0.00 C ATOM 292 CD1 LEU A 23 -5.963 1.666 2.777 1.00 0.00 C ATOM 293 CD2 LEU A 23 -3.570 0.875 3.061 1.00 0.00 C ATOM 0 H LEU A 23 -3.055 3.091 6.401 1.00 0.00 H new ATOM 0 HA LEU A 23 -3.700 3.357 3.732 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -4.098 1.530 5.677 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -5.733 2.118 5.449 1.00 0.00 H new ATOM 0 HG LEU A 23 -5.280 0.142 4.089 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -6.054 0.999 1.919 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -6.925 1.740 3.283 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -5.655 2.655 2.437 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -3.710 0.225 2.197 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -3.156 1.829 2.734 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -2.883 0.403 3.763 1.00 0.00 H new ATOM 305 N GLU A 24 -6.110 4.620 5.581 1.00 0.00 N ATOM 306 CA GLU A 24 -7.190 5.592 5.576 1.00 0.00 C ATOM 307 C GLU A 24 -6.748 6.873 4.865 1.00 0.00 C ATOM 308 O GLU A 24 -7.261 7.204 3.798 1.00 0.00 O ATOM 309 CB GLU A 24 -7.666 5.890 6.999 1.00 0.00 C ATOM 310 CG GLU A 24 -8.438 4.703 7.579 1.00 0.00 C ATOM 311 CD GLU A 24 -8.288 4.643 9.101 1.00 0.00 C ATOM 312 OE1 GLU A 24 -7.299 4.023 9.549 1.00 0.00 O ATOM 313 OE2 GLU A 24 -9.164 5.218 9.781 1.00 0.00 O ATOM 0 H GLU A 24 -6.035 4.070 6.437 1.00 0.00 H new ATOM 0 HA GLU A 24 -8.032 5.168 5.028 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -6.809 6.116 7.633 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -8.302 6.775 6.996 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -9.493 4.787 7.317 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -8.073 3.776 7.137 1.00 0.00 H new ATOM 320 N ASN A 25 -5.801 7.559 5.487 1.00 0.00 N ATOM 321 CA ASN A 25 -5.284 8.797 4.928 1.00 0.00 C ATOM 322 C ASN A 25 -4.249 8.471 3.849 1.00 0.00 C ATOM 323 O ASN A 25 -3.079 8.829 3.978 1.00 0.00 O ATOM 324 CB ASN A 25 -4.596 9.642 6.002 1.00 0.00 C ATOM 325 CG ASN A 25 -5.444 9.707 7.274 1.00 0.00 C ATOM 326 OD1 ASN A 25 -6.662 9.665 7.242 1.00 0.00 O ATOM 327 ND2 ASN A 25 -4.732 9.813 8.393 1.00 0.00 N ATOM 0 H ASN A 25 -5.378 7.281 6.373 1.00 0.00 H new ATOM 0 HA ASN A 25 -6.123 9.355 4.513 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -3.619 9.218 6.233 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -4.425 10.649 5.623 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -5.205 9.864 9.295 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -3.713 9.843 8.348 1.00 0.00 H new ATOM 334 N LEU A 26 -4.717 7.795 2.810 1.00 0.00 N ATOM 335 CA LEU A 26 -3.847 7.417 1.709 1.00 0.00 C ATOM 336 C LEU A 26 -4.001 8.429 0.573 1.00 0.00 C ATOM 337 O LEU A 26 -3.082 8.619 -0.223 1.00 0.00 O ATOM 338 CB LEU A 26 -4.116 5.972 1.286 1.00 0.00 C ATOM 339 CG LEU A 26 -3.634 5.581 -0.112 1.00 0.00 C ATOM 340 CD1 LEU A 26 -2.115 5.719 -0.227 1.00 0.00 C ATOM 341 CD2 LEU A 26 -4.112 4.177 -0.485 1.00 0.00 C ATOM 0 H LEU A 26 -5.688 7.499 2.707 1.00 0.00 H new ATOM 0 HA LEU A 26 -2.803 7.444 2.021 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -3.643 5.309 2.010 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -5.190 5.792 1.342 1.00 0.00 H new ATOM 0 HG LEU A 26 -4.075 6.272 -0.830 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -1.799 5.435 -1.231 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -1.828 6.753 -0.035 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -1.634 5.068 0.503 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -3.755 3.925 -1.484 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -3.720 3.457 0.233 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -5.202 4.148 -0.471 1.00 0.00 H new ATOM 353 N GLU A 27 -5.169 9.053 0.532 1.00 0.00 N ATOM 354 CA GLU A 27 -5.455 10.041 -0.494 1.00 0.00 C ATOM 355 C GLU A 27 -4.724 11.350 -0.189 1.00 0.00 C ATOM 356 O GLU A 27 -4.038 11.898 -1.051 1.00 0.00 O ATOM 357 CB GLU A 27 -6.961 10.273 -0.629 1.00 0.00 C ATOM 358 CG GLU A 27 -7.693 8.963 -0.929 1.00 0.00 C ATOM 359 CD GLU A 27 -9.205 9.184 -1.003 1.00 0.00 C ATOM 360 OE1 GLU A 27 -9.641 10.273 -0.572 1.00 0.00 O ATOM 361 OE2 GLU A 27 -9.890 8.259 -1.490 1.00 0.00 O ATOM 0 H GLU A 27 -5.929 8.893 1.193 1.00 0.00 H new ATOM 0 HA GLU A 27 -5.093 9.659 -1.449 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -7.349 10.708 0.292 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -7.152 10.991 -1.426 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -7.336 8.550 -1.873 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -7.467 8.230 -0.155 1.00 0.00 H new ATOM 368 N ASN A 28 -4.896 11.814 1.040 1.00 0.00 N ATOM 369 CA ASN A 28 -4.261 13.048 1.470 1.00 0.00 C ATOM 370 C ASN A 28 -2.749 12.835 1.558 1.00 0.00 C ATOM 371 O ASN A 28 -1.978 13.791 1.488 1.00 0.00 O ATOM 372 CB ASN A 28 -4.761 13.472 2.853 1.00 0.00 C ATOM 373 CG ASN A 28 -6.289 13.523 2.892 1.00 0.00 C ATOM 374 OD1 ASN A 28 -6.922 14.390 2.312 1.00 0.00 O ATOM 375 ND2 ASN A 28 -6.845 12.549 3.606 1.00 0.00 N ATOM 0 H ASN A 28 -5.466 11.357 1.752 1.00 0.00 H new ATOM 0 HA ASN A 28 -4.506 13.824 0.745 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -4.398 12.772 3.605 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -4.354 14.451 3.106 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -7.860 12.496 3.693 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -6.257 11.855 4.067 1.00 0.00 H new ATOM 382 N LEU A 29 -2.369 11.575 1.711 1.00 0.00 N ATOM 383 CA LEU A 29 -0.962 11.224 1.809 1.00 0.00 C ATOM 384 C LEU A 29 -0.219 11.768 0.588 1.00 0.00 C ATOM 385 O LEU A 29 -0.719 11.690 -0.533 1.00 0.00 O ATOM 386 CB LEU A 29 -0.799 9.716 2.008 1.00 0.00 C ATOM 387 CG LEU A 29 0.571 9.137 1.649 1.00 0.00 C ATOM 388 CD1 LEU A 29 1.508 9.156 2.859 1.00 0.00 C ATOM 389 CD2 LEU A 29 0.435 7.735 1.052 1.00 0.00 C ATOM 0 H LEU A 29 -3.011 10.784 1.770 1.00 0.00 H new ATOM 0 HA LEU A 29 -0.513 11.688 2.687 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -1.008 9.483 3.052 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -1.555 9.207 1.410 1.00 0.00 H new ATOM 0 HG LEU A 29 1.019 9.770 0.884 1.00 0.00 H new ATOM 0 HD11 LEU A 29 2.475 8.739 2.577 1.00 0.00 H new ATOM 0 HD12 LEU A 29 1.641 10.183 3.200 1.00 0.00 H new ATOM 0 HD13 LEU A 29 1.076 8.560 3.663 1.00 0.00 H new ATOM 0 HD21 LEU A 29 1.423 7.347 0.806 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -0.044 7.076 1.776 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -0.172 7.782 0.148 1.00 0.00 H new ATOM 401 N ASP A 30 0.964 12.306 0.846 1.00 0.00 N ATOM 402 CA ASP A 30 1.782 12.863 -0.218 1.00 0.00 C ATOM 403 C ASP A 30 2.953 11.920 -0.502 1.00 0.00 C ATOM 404 O ASP A 30 3.936 11.907 0.236 1.00 0.00 O ATOM 405 CB ASP A 30 2.356 14.223 0.182 1.00 0.00 C ATOM 406 CG ASP A 30 3.402 14.792 -0.779 1.00 0.00 C ATOM 407 OD1 ASP A 30 3.330 14.432 -1.974 1.00 0.00 O ATOM 408 OD2 ASP A 30 4.250 15.574 -0.297 1.00 0.00 O ATOM 0 H ASP A 30 1.376 12.368 1.777 1.00 0.00 H new ATOM 0 HA ASP A 30 1.152 12.983 -1.099 1.00 0.00 H new ATOM 0 HB2 ASP A 30 1.536 14.936 0.266 1.00 0.00 H new ATOM 0 HB3 ASP A 30 2.804 14.134 1.172 1.00 0.00 H new ATOM 413 N VAL A 31 2.808 11.154 -1.573 1.00 0.00 N ATOM 414 CA VAL A 31 3.842 10.211 -1.964 1.00 0.00 C ATOM 415 C VAL A 31 5.162 10.959 -2.158 1.00 0.00 C ATOM 416 O VAL A 31 6.236 10.368 -2.054 1.00 0.00 O ATOM 417 CB VAL A 31 3.403 9.439 -3.210 1.00 0.00 C ATOM 418 CG1 VAL A 31 3.177 10.387 -4.390 1.00 0.00 C ATOM 419 CG2 VAL A 31 4.417 8.351 -3.567 1.00 0.00 C ATOM 0 H VAL A 31 1.990 11.167 -2.182 1.00 0.00 H new ATOM 0 HA VAL A 31 4.000 9.471 -1.179 1.00 0.00 H new ATOM 0 HB VAL A 31 2.455 8.951 -2.985 1.00 0.00 H new ATOM 0 HG11 VAL A 31 2.866 9.813 -5.263 1.00 0.00 H new ATOM 0 HG12 VAL A 31 2.401 11.108 -4.134 1.00 0.00 H new ATOM 0 HG13 VAL A 31 4.103 10.916 -4.615 1.00 0.00 H new ATOM 0 HG21 VAL A 31 4.081 7.818 -4.456 1.00 0.00 H new ATOM 0 HG22 VAL A 31 5.387 8.808 -3.763 1.00 0.00 H new ATOM 0 HG23 VAL A 31 4.507 7.651 -2.736 1.00 0.00 H new ATOM 429 N SER A 32 5.039 12.248 -2.437 1.00 0.00 N ATOM 430 CA SER A 32 6.210 13.083 -2.647 1.00 0.00 C ATOM 431 C SER A 32 6.821 13.476 -1.300 1.00 0.00 C ATOM 432 O SER A 32 7.773 14.254 -1.250 1.00 0.00 O ATOM 433 CB SER A 32 5.857 14.334 -3.454 1.00 0.00 C ATOM 434 OG SER A 32 6.752 14.536 -4.545 1.00 0.00 O ATOM 0 H SER A 32 4.147 12.735 -2.523 1.00 0.00 H new ATOM 0 HA SER A 32 6.941 12.510 -3.217 1.00 0.00 H new ATOM 0 HB2 SER A 32 4.838 14.246 -3.832 1.00 0.00 H new ATOM 0 HB3 SER A 32 5.880 15.206 -2.800 1.00 0.00 H new ATOM 0 HG SER A 32 6.492 15.343 -5.036 1.00 0.00 H new ATOM 440 N ALA A 33 6.249 12.920 -0.242 1.00 0.00 N ATOM 441 CA ALA A 33 6.725 13.203 1.101 1.00 0.00 C ATOM 442 C ALA A 33 7.753 12.144 1.506 1.00 0.00 C ATOM 443 O ALA A 33 8.787 12.468 2.087 1.00 0.00 O ATOM 444 CB ALA A 33 5.537 13.260 2.063 1.00 0.00 C ATOM 0 H ALA A 33 5.460 12.275 -0.288 1.00 0.00 H new ATOM 0 HA ALA A 33 7.219 14.174 1.136 1.00 0.00 H new ATOM 0 HB1 ALA A 33 5.895 13.472 3.071 1.00 0.00 H new ATOM 0 HB2 ALA A 33 4.851 14.047 1.748 1.00 0.00 H new ATOM 0 HB3 ALA A 33 5.018 12.302 2.057 1.00 0.00 H new ATOM 450 N PHE A 34 7.431 10.900 1.184 1.00 0.00 N ATOM 451 CA PHE A 34 8.313 9.791 1.507 1.00 0.00 C ATOM 452 C PHE A 34 9.748 10.085 1.064 1.00 0.00 C ATOM 453 O PHE A 34 9.979 10.494 -0.072 1.00 0.00 O ATOM 454 CB PHE A 34 7.797 8.571 0.743 1.00 0.00 C ATOM 455 CG PHE A 34 6.401 8.114 1.171 1.00 0.00 C ATOM 456 CD1 PHE A 34 6.178 7.717 2.452 1.00 0.00 C ATOM 457 CD2 PHE A 34 5.382 8.104 0.269 1.00 0.00 C ATOM 458 CE1 PHE A 34 4.882 7.293 2.850 1.00 0.00 C ATOM 459 CE2 PHE A 34 4.086 7.680 0.666 1.00 0.00 C ATOM 460 CZ PHE A 34 3.864 7.284 1.948 1.00 0.00 C ATOM 0 H PHE A 34 6.572 10.635 0.703 1.00 0.00 H new ATOM 0 HA PHE A 34 8.320 9.623 2.584 1.00 0.00 H new ATOM 0 HB2 PHE A 34 7.782 8.802 -0.322 1.00 0.00 H new ATOM 0 HB3 PHE A 34 8.496 7.746 0.881 1.00 0.00 H new ATOM 0 HD1 PHE A 34 6.987 7.724 3.168 1.00 0.00 H new ATOM 0 HD2 PHE A 34 5.559 8.419 -0.749 1.00 0.00 H new ATOM 0 HE1 PHE A 34 4.705 6.978 3.868 1.00 0.00 H new ATOM 0 HE2 PHE A 34 3.277 7.672 -0.050 1.00 0.00 H new ATOM 0 HZ PHE A 34 2.878 6.962 2.250 1.00 0.00 H new ATOM 470 N GLN A 35 10.674 9.866 1.986 1.00 0.00 N ATOM 471 CA GLN A 35 12.080 10.102 1.705 1.00 0.00 C ATOM 472 C GLN A 35 12.758 8.805 1.260 1.00 0.00 C ATOM 473 O GLN A 35 13.929 8.810 0.884 1.00 0.00 O ATOM 474 CB GLN A 35 12.789 10.702 2.921 1.00 0.00 C ATOM 475 CG GLN A 35 14.281 10.364 2.908 1.00 0.00 C ATOM 476 CD GLN A 35 15.034 11.161 3.976 1.00 0.00 C ATOM 477 OE1 GLN A 35 15.027 10.833 5.151 1.00 0.00 O ATOM 478 NE2 GLN A 35 15.680 12.222 3.504 1.00 0.00 N ATOM 0 H GLN A 35 10.478 9.528 2.928 1.00 0.00 H new ATOM 0 HA GLN A 35 12.151 10.824 0.891 1.00 0.00 H new ATOM 0 HB2 GLN A 35 12.658 11.784 2.926 1.00 0.00 H new ATOM 0 HB3 GLN A 35 12.334 10.322 3.836 1.00 0.00 H new ATOM 0 HG2 GLN A 35 14.417 9.297 3.082 1.00 0.00 H new ATOM 0 HG3 GLN A 35 14.698 10.582 1.925 1.00 0.00 H new ATOM 0 HE21 GLN A 35 15.644 12.440 2.508 1.00 0.00 H new ATOM 0 HE22 GLN A 35 16.212 12.819 4.138 1.00 0.00 H new ATOM 487 N ALA A 36 11.993 7.725 1.317 1.00 0.00 N ATOM 488 CA ALA A 36 12.505 6.423 0.925 1.00 0.00 C ATOM 489 C ALA A 36 13.312 6.566 -0.367 1.00 0.00 C ATOM 490 O ALA A 36 13.241 7.595 -1.038 1.00 0.00 O ATOM 491 CB ALA A 36 11.342 5.439 0.780 1.00 0.00 C ATOM 0 H ALA A 36 11.022 7.725 1.629 1.00 0.00 H new ATOM 0 HA ALA A 36 13.173 6.027 1.690 1.00 0.00 H new ATOM 0 HB1 ALA A 36 11.726 4.462 0.486 1.00 0.00 H new ATOM 0 HB2 ALA A 36 10.819 5.351 1.732 1.00 0.00 H new ATOM 0 HB3 ALA A 36 10.651 5.801 0.019 1.00 0.00 H new ATOM 497 N PRO A 37 14.080 5.490 -0.687 1.00 0.00 N ATOM 498 CA PRO A 37 14.900 5.486 -1.886 1.00 0.00 C ATOM 499 C PRO A 37 14.041 5.286 -3.137 1.00 0.00 C ATOM 500 O PRO A 37 12.898 4.841 -3.044 1.00 0.00 O ATOM 501 CB PRO A 37 15.905 4.366 -1.672 1.00 0.00 C ATOM 502 CG PRO A 37 15.323 3.487 -0.577 1.00 0.00 C ATOM 503 CD PRO A 37 14.190 4.254 0.083 1.00 0.00 C ATOM 0 HA PRO A 37 15.410 6.435 -2.049 1.00 0.00 H new ATOM 0 HB2 PRO A 37 16.057 3.797 -2.589 1.00 0.00 H new ATOM 0 HB3 PRO A 37 16.876 4.764 -1.378 1.00 0.00 H new ATOM 0 HG2 PRO A 37 14.957 2.549 -0.995 1.00 0.00 H new ATOM 0 HG3 PRO A 37 16.089 3.232 0.155 1.00 0.00 H new ATOM 0 HD2 PRO A 37 13.260 3.687 0.056 1.00 0.00 H new ATOM 0 HD3 PRO A 37 14.408 4.459 1.131 1.00 0.00 H new ATOM 511 N GLU A 38 14.624 5.624 -4.277 1.00 0.00 N ATOM 512 CA GLU A 38 13.926 5.488 -5.544 1.00 0.00 C ATOM 513 C GLU A 38 14.007 4.043 -6.041 1.00 0.00 C ATOM 514 O GLU A 38 13.550 3.735 -7.141 1.00 0.00 O ATOM 515 CB GLU A 38 14.486 6.458 -6.586 1.00 0.00 C ATOM 516 CG GLU A 38 13.973 7.879 -6.343 1.00 0.00 C ATOM 517 CD GLU A 38 13.199 8.397 -7.557 1.00 0.00 C ATOM 518 OE1 GLU A 38 13.825 8.484 -8.635 1.00 0.00 O ATOM 519 OE2 GLU A 38 11.997 8.693 -7.380 1.00 0.00 O ATOM 0 H GLU A 38 15.572 5.992 -4.350 1.00 0.00 H new ATOM 0 HA GLU A 38 12.877 5.741 -5.388 1.00 0.00 H new ATOM 0 HB2 GLU A 38 15.575 6.449 -6.548 1.00 0.00 H new ATOM 0 HB3 GLU A 38 14.199 6.130 -7.585 1.00 0.00 H new ATOM 0 HG2 GLU A 38 13.329 7.892 -5.464 1.00 0.00 H new ATOM 0 HG3 GLU A 38 14.812 8.542 -6.132 1.00 0.00 H new ATOM 526 N ASP A 39 14.591 3.195 -5.207 1.00 0.00 N ATOM 527 CA ASP A 39 14.737 1.791 -5.548 1.00 0.00 C ATOM 528 C ASP A 39 14.261 0.933 -4.374 1.00 0.00 C ATOM 529 O ASP A 39 14.571 -0.255 -4.303 1.00 0.00 O ATOM 530 CB ASP A 39 16.200 1.441 -5.827 1.00 0.00 C ATOM 531 CG ASP A 39 17.045 2.590 -6.379 1.00 0.00 C ATOM 532 OD1 ASP A 39 16.968 2.814 -7.606 1.00 0.00 O ATOM 533 OD2 ASP A 39 17.751 3.219 -5.561 1.00 0.00 O ATOM 0 H ASP A 39 14.969 3.454 -4.296 1.00 0.00 H new ATOM 0 HA ASP A 39 14.143 1.598 -6.442 1.00 0.00 H new ATOM 0 HB2 ASP A 39 16.656 1.086 -4.903 1.00 0.00 H new ATOM 0 HB3 ASP A 39 16.231 0.614 -6.536 1.00 0.00 H new ATOM 538 N LEU A 40 13.516 1.569 -3.482 1.00 0.00 N ATOM 539 CA LEU A 40 12.995 0.879 -2.314 1.00 0.00 C ATOM 540 C LEU A 40 12.548 -0.528 -2.716 1.00 0.00 C ATOM 541 O LEU A 40 13.179 -1.515 -2.340 1.00 0.00 O ATOM 542 CB LEU A 40 11.894 1.707 -1.649 1.00 0.00 C ATOM 543 CG LEU A 40 11.270 1.105 -0.388 1.00 0.00 C ATOM 544 CD1 LEU A 40 12.295 1.024 0.745 1.00 0.00 C ATOM 545 CD2 LEU A 40 10.017 1.879 0.027 1.00 0.00 C ATOM 0 H LEU A 40 13.261 2.555 -3.544 1.00 0.00 H new ATOM 0 HA LEU A 40 13.774 0.764 -1.561 1.00 0.00 H new ATOM 0 HB2 LEU A 40 12.305 2.684 -1.396 1.00 0.00 H new ATOM 0 HB3 LEU A 40 11.101 1.874 -2.379 1.00 0.00 H new ATOM 0 HG LEU A 40 10.958 0.085 -0.614 1.00 0.00 H new ATOM 0 HD11 LEU A 40 11.826 0.593 1.630 1.00 0.00 H new ATOM 0 HD12 LEU A 40 13.131 0.397 0.435 1.00 0.00 H new ATOM 0 HD13 LEU A 40 12.659 2.025 0.979 1.00 0.00 H new ATOM 0 HD21 LEU A 40 9.593 1.431 0.926 1.00 0.00 H new ATOM 0 HD22 LEU A 40 10.281 2.917 0.229 1.00 0.00 H new ATOM 0 HD23 LEU A 40 9.283 1.842 -0.778 1.00 0.00 H new ATOM 557 N LEU A 41 11.463 -0.576 -3.474 1.00 0.00 N ATOM 558 CA LEU A 41 10.924 -1.845 -3.931 1.00 0.00 C ATOM 559 C LEU A 41 11.636 -2.263 -5.219 1.00 0.00 C ATOM 560 O LEU A 41 10.988 -2.625 -6.201 1.00 0.00 O ATOM 561 CB LEU A 41 9.402 -1.764 -4.067 1.00 0.00 C ATOM 562 CG LEU A 41 8.682 -0.888 -3.040 1.00 0.00 C ATOM 563 CD1 LEU A 41 7.530 -0.117 -3.687 1.00 0.00 C ATOM 564 CD2 LEU A 41 8.216 -1.719 -1.843 1.00 0.00 C ATOM 0 H LEU A 41 10.942 0.244 -3.783 1.00 0.00 H new ATOM 0 HA LEU A 41 11.113 -2.626 -3.195 1.00 0.00 H new ATOM 0 HB2 LEU A 41 9.166 -1.390 -5.063 1.00 0.00 H new ATOM 0 HB3 LEU A 41 8.997 -2.774 -4.001 1.00 0.00 H new ATOM 0 HG LEU A 41 9.390 -0.150 -2.664 1.00 0.00 H new ATOM 0 HD11 LEU A 41 7.036 0.497 -2.935 1.00 0.00 H new ATOM 0 HD12 LEU A 41 7.920 0.523 -4.479 1.00 0.00 H new ATOM 0 HD13 LEU A 41 6.813 -0.821 -4.109 1.00 0.00 H new ATOM 0 HD21 LEU A 41 7.707 -1.073 -1.128 1.00 0.00 H new ATOM 0 HD22 LEU A 41 7.530 -2.495 -2.183 1.00 0.00 H new ATOM 0 HD23 LEU A 41 9.078 -2.182 -1.364 1.00 0.00 H new ATOM 576 N ASP A 42 12.958 -2.198 -5.174 1.00 0.00 N ATOM 577 CA ASP A 42 13.765 -2.565 -6.326 1.00 0.00 C ATOM 578 C ASP A 42 13.536 -4.042 -6.654 1.00 0.00 C ATOM 579 O ASP A 42 13.668 -4.902 -5.785 1.00 0.00 O ATOM 580 CB ASP A 42 15.255 -2.370 -6.039 1.00 0.00 C ATOM 581 CG ASP A 42 16.196 -3.190 -6.924 1.00 0.00 C ATOM 582 OD1 ASP A 42 16.467 -4.349 -6.543 1.00 0.00 O ATOM 583 OD2 ASP A 42 16.624 -2.639 -7.961 1.00 0.00 O ATOM 0 H ASP A 42 13.491 -1.897 -4.358 1.00 0.00 H new ATOM 0 HA ASP A 42 13.472 -1.927 -7.160 1.00 0.00 H new ATOM 0 HB2 ASP A 42 15.497 -1.314 -6.157 1.00 0.00 H new ATOM 0 HB3 ASP A 42 15.446 -2.626 -4.997 1.00 0.00 H new ATOM 588 N GLY A 43 13.196 -4.290 -7.910 1.00 0.00 N ATOM 589 CA GLY A 43 12.948 -5.648 -8.364 1.00 0.00 C ATOM 590 C GLY A 43 11.919 -6.345 -7.471 1.00 0.00 C ATOM 591 O GLY A 43 12.061 -7.526 -7.159 1.00 0.00 O ATOM 0 H GLY A 43 13.086 -3.574 -8.628 1.00 0.00 H new ATOM 0 HA2 GLY A 43 12.590 -5.632 -9.393 1.00 0.00 H new ATOM 0 HA3 GLY A 43 13.880 -6.213 -8.360 1.00 0.00 H new ATOM 595 N CYS A 44 10.906 -5.583 -7.085 1.00 0.00 N ATOM 596 CA CYS A 44 9.853 -6.113 -6.235 1.00 0.00 C ATOM 597 C CYS A 44 8.514 -5.910 -6.945 1.00 0.00 C ATOM 598 O CYS A 44 7.992 -4.797 -6.988 1.00 0.00 O ATOM 599 CB CYS A 44 9.868 -5.466 -4.848 1.00 0.00 C ATOM 600 SG CYS A 44 11.527 -5.635 -4.096 1.00 0.00 S ATOM 0 H CYS A 44 10.792 -4.603 -7.345 1.00 0.00 H new ATOM 0 HA CYS A 44 10.017 -7.178 -6.070 1.00 0.00 H new ATOM 0 HB2 CYS A 44 9.601 -4.412 -4.926 1.00 0.00 H new ATOM 0 HB3 CYS A 44 9.121 -5.937 -4.210 1.00 0.00 H new ATOM 0 HG CYS A 44 12.433 -5.295 -4.964 1.00 0.00 H new ATOM 606 N ARG A 45 7.995 -7.003 -7.486 1.00 0.00 N ATOM 607 CA ARG A 45 6.726 -6.959 -8.192 1.00 0.00 C ATOM 608 C ARG A 45 5.567 -7.155 -7.214 1.00 0.00 C ATOM 609 O ARG A 45 5.495 -8.173 -6.527 1.00 0.00 O ATOM 610 CB ARG A 45 6.660 -8.039 -9.274 1.00 0.00 C ATOM 611 CG ARG A 45 7.621 -7.724 -10.423 1.00 0.00 C ATOM 612 CD ARG A 45 7.774 -8.928 -11.355 1.00 0.00 C ATOM 613 NE ARG A 45 9.178 -9.397 -11.349 1.00 0.00 N ATOM 614 CZ ARG A 45 10.204 -8.699 -11.854 1.00 0.00 C ATOM 615 NH1 ARG A 45 9.991 -7.498 -12.408 1.00 0.00 N ATOM 616 NH2 ARG A 45 11.445 -9.204 -11.806 1.00 0.00 N ATOM 0 H ARG A 45 8.431 -7.925 -7.449 1.00 0.00 H new ATOM 0 HA ARG A 45 6.644 -5.981 -8.666 1.00 0.00 H new ATOM 0 HB2 ARG A 45 6.910 -9.008 -8.841 1.00 0.00 H new ATOM 0 HB3 ARG A 45 5.642 -8.114 -9.657 1.00 0.00 H new ATOM 0 HG2 ARG A 45 7.251 -6.868 -10.987 1.00 0.00 H new ATOM 0 HG3 ARG A 45 8.595 -7.444 -10.021 1.00 0.00 H new ATOM 0 HD2 ARG A 45 7.112 -9.732 -11.035 1.00 0.00 H new ATOM 0 HD3 ARG A 45 7.477 -8.655 -12.368 1.00 0.00 H new ATOM 0 HE ARG A 45 9.377 -10.308 -10.935 1.00 0.00 H new ATOM 0 HH11 ARG A 45 9.047 -7.114 -12.446 1.00 0.00 H new ATOM 0 HH12 ARG A 45 10.773 -6.968 -12.792 1.00 0.00 H new ATOM 0 HH21 ARG A 45 11.607 -10.119 -11.385 1.00 0.00 H new ATOM 0 HH22 ARG A 45 12.227 -8.673 -12.190 1.00 0.00 H new ATOM 630 N ILE A 46 4.687 -6.165 -7.182 1.00 0.00 N ATOM 631 CA ILE A 46 3.535 -6.216 -6.299 1.00 0.00 C ATOM 632 C ILE A 46 2.254 -6.138 -7.133 1.00 0.00 C ATOM 633 O ILE A 46 2.273 -5.649 -8.261 1.00 0.00 O ATOM 634 CB ILE A 46 3.635 -5.132 -5.224 1.00 0.00 C ATOM 635 CG1 ILE A 46 5.048 -5.065 -4.642 1.00 0.00 C ATOM 636 CG2 ILE A 46 2.577 -5.337 -4.137 1.00 0.00 C ATOM 637 CD1 ILE A 46 5.698 -3.711 -4.933 1.00 0.00 C ATOM 0 H ILE A 46 4.749 -5.323 -7.754 1.00 0.00 H new ATOM 0 HA ILE A 46 3.509 -7.164 -5.762 1.00 0.00 H new ATOM 0 HB ILE A 46 3.433 -4.168 -5.692 1.00 0.00 H new ATOM 0 HG12 ILE A 46 5.010 -5.230 -3.565 1.00 0.00 H new ATOM 0 HG13 ILE A 46 5.658 -5.863 -5.065 1.00 0.00 H new ATOM 0 HG21 ILE A 46 2.671 -4.553 -3.386 1.00 0.00 H new ATOM 0 HG22 ILE A 46 1.584 -5.295 -4.584 1.00 0.00 H new ATOM 0 HG23 ILE A 46 2.722 -6.309 -3.667 1.00 0.00 H new ATOM 0 HD11 ILE A 46 6.702 -3.690 -4.508 1.00 0.00 H new ATOM 0 HD12 ILE A 46 5.757 -3.560 -6.011 1.00 0.00 H new ATOM 0 HD13 ILE A 46 5.099 -2.917 -4.488 1.00 0.00 H new ATOM 649 N TYR A 47 1.173 -6.628 -6.546 1.00 0.00 N ATOM 650 CA TYR A 47 -0.114 -6.620 -7.221 1.00 0.00 C ATOM 651 C TYR A 47 -1.116 -5.732 -6.481 1.00 0.00 C ATOM 652 O TYR A 47 -1.478 -6.016 -5.340 1.00 0.00 O ATOM 653 CB TYR A 47 -0.614 -8.066 -7.193 1.00 0.00 C ATOM 654 CG TYR A 47 -2.018 -8.251 -7.772 1.00 0.00 C ATOM 655 CD1 TYR A 47 -2.199 -8.297 -9.140 1.00 0.00 C ATOM 656 CD2 TYR A 47 -3.103 -8.371 -6.928 1.00 0.00 C ATOM 657 CE1 TYR A 47 -3.520 -8.470 -9.685 1.00 0.00 C ATOM 658 CE2 TYR A 47 -4.424 -8.544 -7.473 1.00 0.00 C ATOM 659 CZ TYR A 47 -4.567 -8.586 -8.825 1.00 0.00 C ATOM 660 OH TYR A 47 -5.815 -8.750 -9.340 1.00 0.00 O ATOM 0 H TYR A 47 1.161 -7.033 -5.610 1.00 0.00 H new ATOM 0 HA TYR A 47 -0.013 -6.232 -8.235 1.00 0.00 H new ATOM 0 HB2 TYR A 47 0.083 -8.691 -7.751 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -0.607 -8.422 -6.163 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -1.350 -8.203 -9.801 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -2.961 -8.335 -5.858 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -3.676 -8.507 -10.753 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -5.282 -8.638 -6.823 1.00 0.00 H new ATOM 0 HH TYR A 47 -5.870 -8.305 -10.211 1.00 0.00 H new ATOM 670 N LEU A 48 -1.537 -4.675 -7.160 1.00 0.00 N ATOM 671 CA LEU A 48 -2.490 -3.744 -6.581 1.00 0.00 C ATOM 672 C LEU A 48 -3.907 -4.287 -6.773 1.00 0.00 C ATOM 673 O LEU A 48 -4.355 -4.478 -7.903 1.00 0.00 O ATOM 674 CB LEU A 48 -2.286 -2.341 -7.157 1.00 0.00 C ATOM 675 CG LEU A 48 -1.029 -1.603 -6.693 1.00 0.00 C ATOM 676 CD1 LEU A 48 -0.922 -0.230 -7.359 1.00 0.00 C ATOM 677 CD2 LEU A 48 -0.982 -1.504 -5.167 1.00 0.00 C ATOM 0 H LEU A 48 -1.235 -4.443 -8.106 1.00 0.00 H new ATOM 0 HA LEU A 48 -2.327 -3.650 -5.507 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -2.259 -2.416 -8.244 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -3.155 -1.735 -6.901 1.00 0.00 H new ATOM 0 HG LEU A 48 -0.160 -2.182 -7.005 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -0.020 0.273 -7.012 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -0.875 -0.353 -8.441 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -1.795 0.369 -7.099 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -0.078 -0.975 -4.864 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -1.857 -0.961 -4.811 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -0.977 -2.506 -4.737 1.00 0.00 H new ATOM 689 N CYS A 49 -4.574 -4.520 -5.652 1.00 0.00 N ATOM 690 CA CYS A 49 -5.932 -5.037 -5.683 1.00 0.00 C ATOM 691 C CYS A 49 -6.781 -4.215 -4.711 1.00 0.00 C ATOM 692 O CYS A 49 -6.398 -4.020 -3.559 1.00 0.00 O ATOM 693 CB CYS A 49 -5.976 -6.531 -5.355 1.00 0.00 C ATOM 694 SG CYS A 49 -7.399 -7.315 -6.197 1.00 0.00 S ATOM 0 H CYS A 49 -4.200 -4.360 -4.717 1.00 0.00 H new ATOM 0 HA CYS A 49 -6.338 -4.941 -6.690 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -5.048 -7.008 -5.670 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -6.057 -6.673 -4.277 1.00 0.00 H new ATOM 0 HG CYS A 49 -7.194 -8.595 -6.295 1.00 0.00 H new ATOM 700 N GLY A 50 -7.918 -3.756 -5.213 1.00 0.00 N ATOM 701 CA GLY A 50 -8.825 -2.959 -4.403 1.00 0.00 C ATOM 702 C GLY A 50 -8.331 -1.516 -4.287 1.00 0.00 C ATOM 703 O GLY A 50 -8.199 -0.988 -3.184 1.00 0.00 O ATOM 0 H GLY A 50 -8.232 -3.920 -6.169 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -9.821 -2.972 -4.846 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -8.913 -3.398 -3.409 1.00 0.00 H new ATOM 707 N PHE A 51 -8.072 -0.918 -5.441 1.00 0.00 N ATOM 708 CA PHE A 51 -7.596 0.455 -5.482 1.00 0.00 C ATOM 709 C PHE A 51 -8.135 1.185 -6.715 1.00 0.00 C ATOM 710 O PHE A 51 -8.145 0.631 -7.813 1.00 0.00 O ATOM 711 CB PHE A 51 -6.070 0.396 -5.565 1.00 0.00 C ATOM 712 CG PHE A 51 -5.391 -0.019 -4.258 1.00 0.00 C ATOM 713 CD1 PHE A 51 -5.607 0.698 -3.123 1.00 0.00 C ATOM 714 CD2 PHE A 51 -4.572 -1.104 -4.232 1.00 0.00 C ATOM 715 CE1 PHE A 51 -4.976 0.313 -1.910 1.00 0.00 C ATOM 716 CE2 PHE A 51 -3.942 -1.489 -3.019 1.00 0.00 C ATOM 717 CZ PHE A 51 -4.158 -0.772 -1.884 1.00 0.00 C ATOM 0 H PHE A 51 -8.183 -1.359 -6.354 1.00 0.00 H new ATOM 0 HA PHE A 51 -7.935 0.994 -4.597 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -5.786 -0.306 -6.349 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -5.694 1.375 -5.863 1.00 0.00 H new ATOM 0 HD1 PHE A 51 -6.258 1.560 -3.144 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -4.401 -1.673 -5.134 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -5.146 0.883 -1.008 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -3.292 -2.351 -2.998 1.00 0.00 H new ATOM 0 HZ PHE A 51 -3.679 -1.065 -0.961 1.00 0.00 H new ATOM 727 N SER A 52 -8.569 2.416 -6.490 1.00 0.00 N ATOM 728 CA SER A 52 -9.107 3.228 -7.569 1.00 0.00 C ATOM 729 C SER A 52 -9.193 4.691 -7.130 1.00 0.00 C ATOM 730 O SER A 52 -9.416 4.978 -5.955 1.00 0.00 O ATOM 731 CB SER A 52 -10.484 2.722 -8.003 1.00 0.00 C ATOM 732 OG SER A 52 -10.395 1.774 -9.063 1.00 0.00 O ATOM 0 H SER A 52 -8.559 2.871 -5.577 1.00 0.00 H new ATOM 0 HA SER A 52 -8.435 3.151 -8.424 1.00 0.00 H new ATOM 0 HB2 SER A 52 -10.988 2.266 -7.151 1.00 0.00 H new ATOM 0 HB3 SER A 52 -11.096 3.566 -8.322 1.00 0.00 H new ATOM 0 HG SER A 52 -9.625 1.186 -8.912 1.00 0.00 H new ATOM 738 N GLY A 53 -9.012 5.577 -8.098 1.00 0.00 N ATOM 739 CA GLY A 53 -9.066 7.004 -7.826 1.00 0.00 C ATOM 740 C GLY A 53 -7.717 7.516 -7.318 1.00 0.00 C ATOM 741 O GLY A 53 -6.717 7.457 -8.032 1.00 0.00 O ATOM 0 H GLY A 53 -8.828 5.335 -9.072 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -9.345 7.541 -8.733 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -9.839 7.208 -7.085 1.00 0.00 H new ATOM 745 N ARG A 54 -7.732 8.008 -6.087 1.00 0.00 N ATOM 746 CA ARG A 54 -6.523 8.531 -5.475 1.00 0.00 C ATOM 747 C ARG A 54 -5.687 7.389 -4.893 1.00 0.00 C ATOM 748 O ARG A 54 -4.498 7.272 -5.188 1.00 0.00 O ATOM 749 CB ARG A 54 -6.855 9.529 -4.364 1.00 0.00 C ATOM 750 CG ARG A 54 -7.151 10.914 -4.942 1.00 0.00 C ATOM 751 CD ARG A 54 -8.075 11.708 -4.017 1.00 0.00 C ATOM 752 NE ARG A 54 -9.302 12.104 -4.744 1.00 0.00 N ATOM 753 CZ ARG A 54 -10.133 13.075 -4.342 1.00 0.00 C ATOM 754 NH1 ARG A 54 -9.875 13.755 -3.217 1.00 0.00 N ATOM 755 NH2 ARG A 54 -11.223 13.366 -5.066 1.00 0.00 N ATOM 0 H ARG A 54 -8.563 8.055 -5.497 1.00 0.00 H new ATOM 0 HA ARG A 54 -5.954 9.045 -6.250 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -7.717 9.175 -3.798 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -6.020 9.593 -3.666 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -6.218 11.459 -5.085 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -7.614 10.811 -5.923 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -8.337 11.106 -3.147 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -7.559 12.594 -3.648 1.00 0.00 H new ATOM 0 HE ARG A 54 -9.529 11.606 -5.605 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -9.046 13.534 -2.666 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -10.508 14.494 -2.911 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -11.419 12.848 -5.923 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -11.856 14.105 -4.760 1.00 0.00 H new ATOM 769 N LYS A 55 -6.341 6.577 -4.075 1.00 0.00 N ATOM 770 CA LYS A 55 -5.673 5.449 -3.449 1.00 0.00 C ATOM 771 C LYS A 55 -4.759 4.771 -4.471 1.00 0.00 C ATOM 772 O LYS A 55 -3.563 4.610 -4.231 1.00 0.00 O ATOM 773 CB LYS A 55 -6.696 4.504 -2.817 1.00 0.00 C ATOM 774 CG LYS A 55 -7.479 5.207 -1.706 1.00 0.00 C ATOM 775 CD LYS A 55 -7.827 4.232 -0.579 1.00 0.00 C ATOM 776 CE LYS A 55 -7.579 4.866 0.791 1.00 0.00 C ATOM 777 NZ LYS A 55 -8.791 4.768 1.634 1.00 0.00 N ATOM 0 H LYS A 55 -7.326 6.678 -3.832 1.00 0.00 H new ATOM 0 HA LYS A 55 -5.039 5.789 -2.630 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -7.385 4.145 -3.581 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -6.187 3.630 -2.411 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -6.890 6.033 -1.308 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -8.393 5.636 -2.116 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -8.872 3.933 -0.662 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -7.228 3.327 -0.679 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -6.745 4.367 1.284 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -7.297 5.912 0.669 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -8.606 5.203 2.560 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -9.578 5.265 1.170 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -9.042 3.767 1.766 1.00 0.00 H new ATOM 791 N LEU A 56 -5.356 4.391 -5.591 1.00 0.00 N ATOM 792 CA LEU A 56 -4.611 3.734 -6.652 1.00 0.00 C ATOM 793 C LEU A 56 -3.485 4.656 -7.125 1.00 0.00 C ATOM 794 O LEU A 56 -2.309 4.313 -7.014 1.00 0.00 O ATOM 795 CB LEU A 56 -5.553 3.288 -7.772 1.00 0.00 C ATOM 796 CG LEU A 56 -4.908 2.508 -8.919 1.00 0.00 C ATOM 797 CD1 LEU A 56 -3.885 1.501 -8.391 1.00 0.00 C ATOM 798 CD2 LEU A 56 -5.972 1.839 -9.793 1.00 0.00 C ATOM 0 H LEU A 56 -6.348 4.526 -5.787 1.00 0.00 H new ATOM 0 HA LEU A 56 -4.142 2.823 -6.280 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -6.338 2.671 -7.335 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -6.037 4.172 -8.187 1.00 0.00 H new ATOM 0 HG LEU A 56 -4.368 3.214 -9.551 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -3.442 0.960 -9.227 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -3.103 2.029 -7.845 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -4.380 0.795 -7.724 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -5.487 1.291 -10.601 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -6.559 1.149 -9.187 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -6.629 2.601 -10.214 1.00 0.00 H new ATOM 810 N ASP A 57 -3.886 5.808 -7.643 1.00 0.00 N ATOM 811 CA ASP A 57 -2.926 6.781 -8.134 1.00 0.00 C ATOM 812 C ASP A 57 -1.731 6.839 -7.179 1.00 0.00 C ATOM 813 O ASP A 57 -0.582 6.868 -7.618 1.00 0.00 O ATOM 814 CB ASP A 57 -3.544 8.179 -8.201 1.00 0.00 C ATOM 815 CG ASP A 57 -3.545 8.819 -9.590 1.00 0.00 C ATOM 816 OD1 ASP A 57 -3.478 8.047 -10.571 1.00 0.00 O ATOM 817 OD2 ASP A 57 -3.614 10.067 -9.641 1.00 0.00 O ATOM 0 H ASP A 57 -4.862 6.089 -7.733 1.00 0.00 H new ATOM 0 HA ASP A 57 -2.617 6.474 -9.133 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -4.572 8.123 -7.842 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -3.003 8.832 -7.517 1.00 0.00 H new ATOM 822 N LYS A 58 -2.043 6.853 -5.892 1.00 0.00 N ATOM 823 CA LYS A 58 -1.009 6.907 -4.872 1.00 0.00 C ATOM 824 C LYS A 58 -0.077 5.704 -5.034 1.00 0.00 C ATOM 825 O LYS A 58 1.056 5.850 -5.491 1.00 0.00 O ATOM 826 CB LYS A 58 -1.635 7.017 -3.480 1.00 0.00 C ATOM 827 CG LYS A 58 -2.292 8.384 -3.281 1.00 0.00 C ATOM 828 CD LYS A 58 -1.237 9.484 -3.139 1.00 0.00 C ATOM 829 CE LYS A 58 -1.891 10.835 -2.844 1.00 0.00 C ATOM 830 NZ LYS A 58 -0.915 11.933 -3.025 1.00 0.00 N ATOM 0 H LYS A 58 -2.997 6.828 -5.532 1.00 0.00 H new ATOM 0 HA LYS A 58 -0.399 7.802 -4.994 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -2.378 6.230 -3.348 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -0.869 6.863 -2.720 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -2.942 8.606 -4.127 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -2.922 8.363 -2.392 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -0.545 9.228 -2.337 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -0.651 9.552 -4.056 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -2.744 10.985 -3.506 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -2.274 10.845 -1.824 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -1.369 12.721 -3.529 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -0.585 12.261 -2.095 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -0.104 11.589 -3.578 1.00 0.00 H new ATOM 844 N LEU A 59 -0.588 4.544 -4.650 1.00 0.00 N ATOM 845 CA LEU A 59 0.185 3.317 -4.746 1.00 0.00 C ATOM 846 C LEU A 59 0.980 3.322 -6.053 1.00 0.00 C ATOM 847 O LEU A 59 2.148 2.939 -6.075 1.00 0.00 O ATOM 848 CB LEU A 59 -0.724 2.097 -4.584 1.00 0.00 C ATOM 849 CG LEU A 59 -0.551 1.299 -3.290 1.00 0.00 C ATOM 850 CD1 LEU A 59 -0.075 2.201 -2.149 1.00 0.00 C ATOM 851 CD2 LEU A 59 -1.837 0.552 -2.930 1.00 0.00 C ATOM 0 H LEU A 59 -1.528 4.427 -4.272 1.00 0.00 H new ATOM 0 HA LEU A 59 0.908 3.257 -3.932 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -1.760 2.430 -4.647 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -0.553 1.427 -5.426 1.00 0.00 H new ATOM 0 HG LEU A 59 0.223 0.549 -3.453 1.00 0.00 H new ATOM 0 HD11 LEU A 59 0.040 1.609 -1.241 1.00 0.00 H new ATOM 0 HD12 LEU A 59 0.883 2.648 -2.414 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -0.808 2.989 -1.978 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -1.687 -0.007 -2.006 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -2.647 1.268 -2.793 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -2.094 -0.138 -3.734 1.00 0.00 H new ATOM 863 N ARG A 60 0.314 3.760 -7.112 1.00 0.00 N ATOM 864 CA ARG A 60 0.944 3.820 -8.420 1.00 0.00 C ATOM 865 C ARG A 60 2.227 4.652 -8.354 1.00 0.00 C ATOM 866 O ARG A 60 3.281 4.212 -8.810 1.00 0.00 O ATOM 867 CB ARG A 60 0.001 4.430 -9.458 1.00 0.00 C ATOM 868 CG ARG A 60 -0.846 3.349 -10.132 1.00 0.00 C ATOM 869 CD ARG A 60 -2.098 3.953 -10.771 1.00 0.00 C ATOM 870 NE ARG A 60 -2.786 2.935 -11.597 1.00 0.00 N ATOM 871 CZ ARG A 60 -2.295 2.439 -12.741 1.00 0.00 C ATOM 872 NH1 ARG A 60 -1.110 2.863 -13.202 1.00 0.00 N ATOM 873 NH2 ARG A 60 -2.989 1.518 -13.424 1.00 0.00 N ATOM 0 H ARG A 60 -0.655 4.077 -7.091 1.00 0.00 H new ATOM 0 HA ARG A 60 1.184 2.800 -8.720 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -0.650 5.161 -8.978 1.00 0.00 H new ATOM 0 HB3 ARG A 60 0.580 4.965 -10.211 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -0.254 2.840 -10.893 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -1.135 2.597 -9.397 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -2.771 4.320 -9.996 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -1.825 4.809 -11.387 1.00 0.00 H new ATOM 0 HE ARG A 60 -3.690 2.590 -11.275 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -0.581 3.563 -12.682 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -0.737 2.485 -14.073 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -3.891 1.195 -13.073 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -2.616 1.140 -14.295 1.00 0.00 H new ATOM 887 N ARG A 61 2.094 5.840 -7.782 1.00 0.00 N ATOM 888 CA ARG A 61 3.229 6.737 -7.651 1.00 0.00 C ATOM 889 C ARG A 61 4.226 6.187 -6.628 1.00 0.00 C ATOM 890 O ARG A 61 5.436 6.258 -6.836 1.00 0.00 O ATOM 891 CB ARG A 61 2.780 8.133 -7.214 1.00 0.00 C ATOM 892 CG ARG A 61 1.941 8.805 -8.303 1.00 0.00 C ATOM 893 CD ARG A 61 1.826 10.311 -8.056 1.00 0.00 C ATOM 894 NE ARG A 61 1.374 10.992 -9.289 1.00 0.00 N ATOM 895 CZ ARG A 61 1.238 12.320 -9.407 1.00 0.00 C ATOM 896 NH1 ARG A 61 1.518 13.117 -8.366 1.00 0.00 N ATOM 897 NH2 ARG A 61 0.822 12.851 -10.564 1.00 0.00 N ATOM 0 H ARG A 61 1.218 6.202 -7.404 1.00 0.00 H new ATOM 0 HA ARG A 61 3.708 6.810 -8.628 1.00 0.00 H new ATOM 0 HB2 ARG A 61 2.199 8.061 -6.295 1.00 0.00 H new ATOM 0 HB3 ARG A 61 3.653 8.747 -6.992 1.00 0.00 H new ATOM 0 HG2 ARG A 61 2.394 8.626 -9.278 1.00 0.00 H new ATOM 0 HG3 ARG A 61 0.946 8.360 -8.327 1.00 0.00 H new ATOM 0 HD2 ARG A 61 1.122 10.502 -7.246 1.00 0.00 H new ATOM 0 HD3 ARG A 61 2.790 10.711 -7.742 1.00 0.00 H new ATOM 0 HE ARG A 61 1.152 10.415 -10.100 1.00 0.00 H new ATOM 0 HH11 ARG A 61 1.834 12.713 -7.485 1.00 0.00 H new ATOM 0 HH12 ARG A 61 1.415 14.128 -8.455 1.00 0.00 H new ATOM 0 HH21 ARG A 61 0.608 12.245 -11.356 1.00 0.00 H new ATOM 0 HH22 ARG A 61 0.719 13.862 -10.653 1.00 0.00 H new ATOM 911 N LEU A 62 3.680 5.650 -5.547 1.00 0.00 N ATOM 912 CA LEU A 62 4.506 5.088 -4.492 1.00 0.00 C ATOM 913 C LEU A 62 5.413 4.006 -5.083 1.00 0.00 C ATOM 914 O LEU A 62 6.632 4.167 -5.123 1.00 0.00 O ATOM 915 CB LEU A 62 3.635 4.595 -3.335 1.00 0.00 C ATOM 916 CG LEU A 62 3.330 5.622 -2.242 1.00 0.00 C ATOM 917 CD1 LEU A 62 2.005 6.337 -2.516 1.00 0.00 C ATOM 918 CD2 LEU A 62 3.354 4.972 -0.857 1.00 0.00 C ATOM 0 H LEU A 62 2.676 5.592 -5.379 1.00 0.00 H new ATOM 0 HA LEU A 62 5.156 5.854 -4.068 1.00 0.00 H new ATOM 0 HB2 LEU A 62 2.690 4.237 -3.744 1.00 0.00 H new ATOM 0 HB3 LEU A 62 4.128 3.739 -2.874 1.00 0.00 H new ATOM 0 HG LEU A 62 4.114 6.379 -2.256 1.00 0.00 H new ATOM 0 HD11 LEU A 62 1.812 7.061 -1.725 1.00 0.00 H new ATOM 0 HD12 LEU A 62 2.061 6.853 -3.474 1.00 0.00 H new ATOM 0 HD13 LEU A 62 1.196 5.607 -2.544 1.00 0.00 H new ATOM 0 HD21 LEU A 62 3.134 5.723 -0.099 1.00 0.00 H new ATOM 0 HD22 LEU A 62 2.604 4.182 -0.813 1.00 0.00 H new ATOM 0 HD23 LEU A 62 4.340 4.547 -0.672 1.00 0.00 H new ATOM 930 N ILE A 63 4.783 2.928 -5.526 1.00 0.00 N ATOM 931 CA ILE A 63 5.518 1.820 -6.113 1.00 0.00 C ATOM 932 C ILE A 63 6.642 2.369 -6.994 1.00 0.00 C ATOM 933 O ILE A 63 7.809 2.029 -6.801 1.00 0.00 O ATOM 934 CB ILE A 63 4.566 0.875 -6.849 1.00 0.00 C ATOM 935 CG1 ILE A 63 3.749 0.040 -5.860 1.00 0.00 C ATOM 936 CG2 ILE A 63 5.325 0.000 -7.848 1.00 0.00 C ATOM 937 CD1 ILE A 63 2.387 -0.331 -6.450 1.00 0.00 C ATOM 0 H ILE A 63 3.772 2.798 -5.490 1.00 0.00 H new ATOM 0 HA ILE A 63 5.987 1.219 -5.334 1.00 0.00 H new ATOM 0 HB ILE A 63 3.861 1.478 -7.421 1.00 0.00 H new ATOM 0 HG12 ILE A 63 4.297 -0.866 -5.604 1.00 0.00 H new ATOM 0 HG13 ILE A 63 3.609 0.600 -4.935 1.00 0.00 H new ATOM 0 HG21 ILE A 63 4.625 -0.662 -8.357 1.00 0.00 H new ATOM 0 HG22 ILE A 63 5.824 0.634 -8.581 1.00 0.00 H new ATOM 0 HG23 ILE A 63 6.068 -0.596 -7.318 1.00 0.00 H new ATOM 0 HD11 ILE A 63 1.827 -0.924 -5.727 1.00 0.00 H new ATOM 0 HD12 ILE A 63 1.831 0.578 -6.682 1.00 0.00 H new ATOM 0 HD13 ILE A 63 2.531 -0.911 -7.361 1.00 0.00 H new ATOM 949 N ASN A 64 6.252 3.209 -7.941 1.00 0.00 N ATOM 950 CA ASN A 64 7.213 3.808 -8.852 1.00 0.00 C ATOM 951 C ASN A 64 8.284 4.543 -8.045 1.00 0.00 C ATOM 952 O ASN A 64 9.468 4.479 -8.374 1.00 0.00 O ATOM 953 CB ASN A 64 6.537 4.823 -9.776 1.00 0.00 C ATOM 954 CG ASN A 64 7.140 4.772 -11.181 1.00 0.00 C ATOM 955 OD1 ASN A 64 8.146 4.129 -11.430 1.00 0.00 O ATOM 956 ND2 ASN A 64 6.471 5.485 -12.083 1.00 0.00 N ATOM 0 H ASN A 64 5.284 3.489 -8.097 1.00 0.00 H new ATOM 0 HA ASN A 64 7.652 3.011 -9.452 1.00 0.00 H new ATOM 0 HB2 ASN A 64 5.468 4.617 -9.828 1.00 0.00 H new ATOM 0 HB3 ASN A 64 6.649 5.826 -9.364 1.00 0.00 H new ATOM 0 HD21 ASN A 64 6.794 5.516 -13.050 1.00 0.00 H new ATOM 0 HD22 ASN A 64 5.635 6.001 -11.808 1.00 0.00 H new ATOM 963 N SER A 65 7.831 5.225 -7.003 1.00 0.00 N ATOM 964 CA SER A 65 8.737 5.972 -6.146 1.00 0.00 C ATOM 965 C SER A 65 9.669 5.011 -5.407 1.00 0.00 C ATOM 966 O SER A 65 10.698 5.425 -4.874 1.00 0.00 O ATOM 967 CB SER A 65 7.963 6.835 -5.148 1.00 0.00 C ATOM 968 OG SER A 65 8.731 7.948 -4.698 1.00 0.00 O ATOM 0 H SER A 65 6.849 5.276 -6.733 1.00 0.00 H new ATOM 0 HA SER A 65 9.333 6.635 -6.773 1.00 0.00 H new ATOM 0 HB2 SER A 65 7.045 7.193 -5.614 1.00 0.00 H new ATOM 0 HB3 SER A 65 7.671 6.226 -4.292 1.00 0.00 H new ATOM 0 HG SER A 65 8.202 8.475 -4.064 1.00 0.00 H new ATOM 974 N GLY A 66 9.277 3.746 -5.397 1.00 0.00 N ATOM 975 CA GLY A 66 10.065 2.722 -4.732 1.00 0.00 C ATOM 976 C GLY A 66 10.820 1.864 -5.749 1.00 0.00 C ATOM 977 O GLY A 66 11.683 1.070 -5.377 1.00 0.00 O ATOM 0 H GLY A 66 8.423 3.406 -5.839 1.00 0.00 H new ATOM 0 HA2 GLY A 66 10.774 3.190 -4.049 1.00 0.00 H new ATOM 0 HA3 GLY A 66 9.412 2.089 -4.130 1.00 0.00 H new ATOM 981 N GLY A 67 10.467 2.051 -7.012 1.00 0.00 N ATOM 982 CA GLY A 67 11.100 1.304 -8.085 1.00 0.00 C ATOM 983 C GLY A 67 10.404 -0.041 -8.301 1.00 0.00 C ATOM 984 O GLY A 67 10.789 -0.809 -9.181 1.00 0.00 O ATOM 0 H GLY A 67 9.750 2.710 -7.316 1.00 0.00 H new ATOM 0 HA2 GLY A 67 11.068 1.886 -9.006 1.00 0.00 H new ATOM 0 HA3 GLY A 67 12.151 1.140 -7.848 1.00 0.00 H new ATOM 988 N GLY A 68 9.391 -0.286 -7.482 1.00 0.00 N ATOM 989 CA GLY A 68 8.638 -1.525 -7.572 1.00 0.00 C ATOM 990 C GLY A 68 7.763 -1.544 -8.827 1.00 0.00 C ATOM 991 O GLY A 68 7.564 -0.512 -9.465 1.00 0.00 O ATOM 0 H GLY A 68 9.074 0.353 -6.753 1.00 0.00 H new ATOM 0 HA2 GLY A 68 9.324 -2.372 -7.590 1.00 0.00 H new ATOM 0 HA3 GLY A 68 8.013 -1.640 -6.687 1.00 0.00 H new ATOM 995 N VAL A 69 7.262 -2.730 -9.143 1.00 0.00 N ATOM 996 CA VAL A 69 6.413 -2.897 -10.309 1.00 0.00 C ATOM 997 C VAL A 69 5.053 -3.445 -9.870 1.00 0.00 C ATOM 998 O VAL A 69 4.974 -4.526 -9.288 1.00 0.00 O ATOM 999 CB VAL A 69 7.110 -3.785 -11.342 1.00 0.00 C ATOM 1000 CG1 VAL A 69 6.106 -4.344 -12.352 1.00 0.00 C ATOM 1001 CG2 VAL A 69 8.233 -3.025 -12.049 1.00 0.00 C ATOM 0 H VAL A 69 7.428 -3.584 -8.611 1.00 0.00 H new ATOM 0 HA VAL A 69 6.236 -1.936 -10.793 1.00 0.00 H new ATOM 0 HB VAL A 69 7.556 -4.627 -10.813 1.00 0.00 H new ATOM 0 HG11 VAL A 69 6.628 -4.971 -13.075 1.00 0.00 H new ATOM 0 HG12 VAL A 69 5.357 -4.939 -11.829 1.00 0.00 H new ATOM 0 HG13 VAL A 69 5.617 -3.521 -12.873 1.00 0.00 H new ATOM 0 HG21 VAL A 69 8.712 -3.679 -12.778 1.00 0.00 H new ATOM 0 HG22 VAL A 69 7.819 -2.155 -12.559 1.00 0.00 H new ATOM 0 HG23 VAL A 69 8.970 -2.699 -11.315 1.00 0.00 H new ATOM 1011 N ARG A 70 4.017 -2.674 -10.166 1.00 0.00 N ATOM 1012 CA ARG A 70 2.665 -3.069 -9.809 1.00 0.00 C ATOM 1013 C ARG A 70 2.043 -3.906 -10.929 1.00 0.00 C ATOM 1014 O ARG A 70 2.047 -3.498 -12.089 1.00 0.00 O ATOM 1015 CB ARG A 70 1.784 -1.845 -9.548 1.00 0.00 C ATOM 1016 CG ARG A 70 1.675 -0.972 -10.799 1.00 0.00 C ATOM 1017 CD ARG A 70 2.284 0.411 -10.558 1.00 0.00 C ATOM 1018 NE ARG A 70 3.426 0.628 -11.473 1.00 0.00 N ATOM 1019 CZ ARG A 70 4.053 1.802 -11.627 1.00 0.00 C ATOM 1020 NH1 ARG A 70 3.653 2.872 -10.927 1.00 0.00 N ATOM 1021 NH2 ARG A 70 5.081 1.906 -12.481 1.00 0.00 N ATOM 0 H ARG A 70 4.087 -1.778 -10.649 1.00 0.00 H new ATOM 0 HA ARG A 70 2.723 -3.662 -8.896 1.00 0.00 H new ATOM 0 HB2 ARG A 70 0.790 -2.167 -9.237 1.00 0.00 H new ATOM 0 HB3 ARG A 70 2.201 -1.261 -8.728 1.00 0.00 H new ATOM 0 HG2 ARG A 70 2.185 -1.458 -11.631 1.00 0.00 H new ATOM 0 HG3 ARG A 70 0.628 -0.868 -11.084 1.00 0.00 H new ATOM 0 HD2 ARG A 70 1.530 1.182 -10.716 1.00 0.00 H new ATOM 0 HD3 ARG A 70 2.615 0.496 -9.523 1.00 0.00 H new ATOM 0 HE ARG A 70 3.757 -0.166 -12.021 1.00 0.00 H new ATOM 0 HH11 ARG A 70 2.871 2.793 -10.277 1.00 0.00 H new ATOM 0 HH12 ARG A 70 4.130 3.766 -11.044 1.00 0.00 H new ATOM 0 HH21 ARG A 70 5.386 1.091 -13.014 1.00 0.00 H new ATOM 0 HH22 ARG A 70 5.558 2.800 -12.598 1.00 0.00 H new ATOM 1035 N PHE A 71 1.523 -5.062 -10.541 1.00 0.00 N ATOM 1036 CA PHE A 71 0.899 -5.960 -11.498 1.00 0.00 C ATOM 1037 C PHE A 71 -0.624 -5.822 -11.466 1.00 0.00 C ATOM 1038 O PHE A 71 -1.256 -6.103 -10.449 1.00 0.00 O ATOM 1039 CB PHE A 71 1.279 -7.384 -11.088 1.00 0.00 C ATOM 1040 CG PHE A 71 2.369 -8.012 -11.959 1.00 0.00 C ATOM 1041 CD1 PHE A 71 3.605 -7.448 -12.013 1.00 0.00 C ATOM 1042 CD2 PHE A 71 2.102 -9.135 -12.678 1.00 0.00 C ATOM 1043 CE1 PHE A 71 4.617 -8.031 -12.822 1.00 0.00 C ATOM 1044 CE2 PHE A 71 3.113 -9.718 -13.487 1.00 0.00 C ATOM 1045 CZ PHE A 71 4.350 -9.154 -13.541 1.00 0.00 C ATOM 0 H PHE A 71 1.521 -5.397 -9.578 1.00 0.00 H new ATOM 0 HA PHE A 71 1.237 -5.723 -12.507 1.00 0.00 H new ATOM 0 HB2 PHE A 71 1.617 -7.375 -10.052 1.00 0.00 H new ATOM 0 HB3 PHE A 71 0.389 -8.012 -11.128 1.00 0.00 H new ATOM 0 HD1 PHE A 71 3.817 -6.557 -11.441 1.00 0.00 H new ATOM 0 HD2 PHE A 71 1.121 -9.584 -12.634 1.00 0.00 H new ATOM 0 HE1 PHE A 71 5.598 -7.582 -12.866 1.00 0.00 H new ATOM 0 HE2 PHE A 71 2.900 -10.609 -14.059 1.00 0.00 H new ATOM 0 HZ PHE A 71 5.120 -9.598 -14.155 1.00 0.00 H new ATOM 1055 N ASN A 72 -1.171 -5.390 -12.593 1.00 0.00 N ATOM 1056 CA ASN A 72 -2.608 -5.211 -12.707 1.00 0.00 C ATOM 1057 C ASN A 72 -3.290 -6.581 -12.698 1.00 0.00 C ATOM 1058 O ASN A 72 -4.485 -6.681 -12.423 1.00 0.00 O ATOM 1059 CB ASN A 72 -2.974 -4.509 -14.017 1.00 0.00 C ATOM 1060 CG ASN A 72 -2.627 -3.021 -13.957 1.00 0.00 C ATOM 1061 OD1 ASN A 72 -1.485 -2.616 -14.102 1.00 0.00 O ATOM 1062 ND2 ASN A 72 -3.673 -2.230 -13.734 1.00 0.00 N ATOM 0 H ASN A 72 -0.644 -5.159 -13.435 1.00 0.00 H new ATOM 0 HA ASN A 72 -2.940 -4.601 -11.867 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -2.442 -4.977 -14.845 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -4.039 -4.630 -14.213 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -3.545 -1.220 -13.675 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -4.603 -2.634 -13.622 1.00 0.00 H new ATOM 1069 N GLN A 73 -2.502 -7.601 -13.003 1.00 0.00 N ATOM 1070 CA GLN A 73 -3.015 -8.960 -13.034 1.00 0.00 C ATOM 1071 C GLN A 73 -2.207 -9.853 -12.090 1.00 0.00 C ATOM 1072 O GLN A 73 -0.995 -9.689 -11.959 1.00 0.00 O ATOM 1073 CB GLN A 73 -3.005 -9.518 -14.458 1.00 0.00 C ATOM 1074 CG GLN A 73 -3.839 -8.642 -15.396 1.00 0.00 C ATOM 1075 CD GLN A 73 -2.941 -7.767 -16.272 1.00 0.00 C ATOM 1076 OE1 GLN A 73 -2.175 -6.945 -15.795 1.00 0.00 O ATOM 1077 NE2 GLN A 73 -3.077 -7.987 -17.576 1.00 0.00 N ATOM 0 H GLN A 73 -1.512 -7.514 -13.231 1.00 0.00 H new ATOM 0 HA GLN A 73 -4.050 -8.945 -12.693 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -1.980 -9.574 -14.823 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -3.399 -10.534 -14.457 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -4.465 -9.273 -16.027 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -4.508 -8.011 -14.811 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -3.737 -8.690 -17.908 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -2.522 -7.453 -18.244 1.00 0.00 H new ATOM 1086 N LEU A 74 -2.911 -10.780 -11.456 1.00 0.00 N ATOM 1087 CA LEU A 74 -2.275 -11.699 -10.528 1.00 0.00 C ATOM 1088 C LEU A 74 -1.655 -12.858 -11.310 1.00 0.00 C ATOM 1089 O LEU A 74 -2.328 -13.499 -12.117 1.00 0.00 O ATOM 1090 CB LEU A 74 -3.267 -12.145 -9.451 1.00 0.00 C ATOM 1091 CG LEU A 74 -2.670 -12.453 -8.077 1.00 0.00 C ATOM 1092 CD1 LEU A 74 -1.201 -12.865 -8.197 1.00 0.00 C ATOM 1093 CD2 LEU A 74 -2.859 -11.275 -7.120 1.00 0.00 C ATOM 0 H LEU A 74 -3.916 -10.914 -11.567 1.00 0.00 H new ATOM 0 HA LEU A 74 -1.464 -11.202 -9.996 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -4.019 -11.365 -9.332 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -3.785 -13.035 -9.808 1.00 0.00 H new ATOM 0 HG LEU A 74 -3.208 -13.301 -7.653 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -0.801 -13.078 -7.206 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -1.123 -13.756 -8.820 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -0.632 -12.054 -8.651 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -2.426 -11.521 -6.151 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -2.364 -10.393 -7.526 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -3.923 -11.071 -7.000 1.00 0.00 H new ATOM 1105 N ASN A 75 -0.378 -13.093 -11.045 1.00 0.00 N ATOM 1106 CA ASN A 75 0.341 -14.164 -11.714 1.00 0.00 C ATOM 1107 C ASN A 75 1.528 -14.594 -10.849 1.00 0.00 C ATOM 1108 O ASN A 75 1.684 -14.121 -9.724 1.00 0.00 O ATOM 1109 CB ASN A 75 0.885 -13.701 -13.067 1.00 0.00 C ATOM 1110 CG ASN A 75 1.154 -12.195 -13.063 1.00 0.00 C ATOM 1111 OD1 ASN A 75 1.655 -11.630 -12.105 1.00 0.00 O ATOM 1112 ND2 ASN A 75 0.793 -11.579 -14.186 1.00 0.00 N ATOM 0 H ASN A 75 0.177 -12.560 -10.376 1.00 0.00 H new ATOM 0 HA ASN A 75 -0.352 -14.991 -11.868 1.00 0.00 H new ATOM 0 HB2 ASN A 75 1.806 -14.238 -13.296 1.00 0.00 H new ATOM 0 HB3 ASN A 75 0.170 -13.944 -13.853 1.00 0.00 H new ATOM 0 HD21 ASN A 75 0.931 -10.573 -14.283 1.00 0.00 H new ATOM 0 HD22 ASN A 75 0.379 -12.113 -14.950 1.00 0.00 H new ATOM 1119 N GLU A 76 2.334 -15.485 -11.407 1.00 0.00 N ATOM 1120 CA GLU A 76 3.502 -15.983 -10.701 1.00 0.00 C ATOM 1121 C GLU A 76 4.672 -15.010 -10.858 1.00 0.00 C ATOM 1122 O GLU A 76 5.800 -15.324 -10.481 1.00 0.00 O ATOM 1123 CB GLU A 76 3.883 -17.382 -11.191 1.00 0.00 C ATOM 1124 CG GLU A 76 2.643 -18.263 -11.350 1.00 0.00 C ATOM 1125 CD GLU A 76 2.981 -19.556 -12.096 1.00 0.00 C ATOM 1126 OE1 GLU A 76 3.526 -20.466 -11.436 1.00 0.00 O ATOM 1127 OE2 GLU A 76 2.686 -19.603 -13.310 1.00 0.00 O ATOM 0 H GLU A 76 2.201 -15.875 -12.340 1.00 0.00 H new ATOM 0 HA GLU A 76 3.257 -16.058 -9.641 1.00 0.00 H new ATOM 0 HB2 GLU A 76 4.405 -17.308 -12.145 1.00 0.00 H new ATOM 0 HB3 GLU A 76 4.573 -17.843 -10.485 1.00 0.00 H new ATOM 0 HG2 GLU A 76 2.234 -18.502 -10.368 1.00 0.00 H new ATOM 0 HG3 GLU A 76 1.872 -17.717 -11.893 1.00 0.00 H new ATOM 1134 N ASP A 77 4.364 -13.848 -11.415 1.00 0.00 N ATOM 1135 CA ASP A 77 5.376 -12.827 -11.627 1.00 0.00 C ATOM 1136 C ASP A 77 5.447 -11.923 -10.394 1.00 0.00 C ATOM 1137 O ASP A 77 6.531 -11.649 -9.883 1.00 0.00 O ATOM 1138 CB ASP A 77 5.033 -11.954 -12.835 1.00 0.00 C ATOM 1139 CG ASP A 77 5.453 -12.529 -14.189 1.00 0.00 C ATOM 1140 OD1 ASP A 77 4.741 -13.440 -14.664 1.00 0.00 O ATOM 1141 OD2 ASP A 77 6.477 -12.045 -14.718 1.00 0.00 O ATOM 0 H ASP A 77 3.427 -13.591 -11.726 1.00 0.00 H new ATOM 0 HA ASP A 77 6.328 -13.327 -11.803 1.00 0.00 H new ATOM 0 HB2 ASP A 77 3.956 -11.784 -12.848 1.00 0.00 H new ATOM 0 HB3 ASP A 77 5.508 -10.981 -12.708 1.00 0.00 H new ATOM 1146 N VAL A 78 4.277 -11.484 -9.953 1.00 0.00 N ATOM 1147 CA VAL A 78 4.192 -10.617 -8.791 1.00 0.00 C ATOM 1148 C VAL A 78 4.698 -11.371 -7.560 1.00 0.00 C ATOM 1149 O VAL A 78 4.545 -12.588 -7.466 1.00 0.00 O ATOM 1150 CB VAL A 78 2.762 -10.097 -8.628 1.00 0.00 C ATOM 1151 CG1 VAL A 78 1.745 -11.224 -8.817 1.00 0.00 C ATOM 1152 CG2 VAL A 78 2.579 -9.413 -7.272 1.00 0.00 C ATOM 0 H VAL A 78 3.380 -11.713 -10.380 1.00 0.00 H new ATOM 0 HA VAL A 78 4.828 -9.742 -8.921 1.00 0.00 H new ATOM 0 HB VAL A 78 2.585 -9.353 -9.404 1.00 0.00 H new ATOM 0 HG11 VAL A 78 0.737 -10.828 -8.696 1.00 0.00 H new ATOM 0 HG12 VAL A 78 1.852 -11.647 -9.816 1.00 0.00 H new ATOM 0 HG13 VAL A 78 1.921 -12.001 -8.074 1.00 0.00 H new ATOM 0 HG21 VAL A 78 1.554 -9.053 -7.182 1.00 0.00 H new ATOM 0 HG22 VAL A 78 2.784 -10.126 -6.474 1.00 0.00 H new ATOM 0 HG23 VAL A 78 3.268 -8.572 -7.193 1.00 0.00 H new ATOM 1162 N THR A 79 5.291 -10.616 -6.646 1.00 0.00 N ATOM 1163 CA THR A 79 5.820 -11.198 -5.424 1.00 0.00 C ATOM 1164 C THR A 79 4.978 -10.770 -4.221 1.00 0.00 C ATOM 1165 O THR A 79 4.913 -11.481 -3.219 1.00 0.00 O ATOM 1166 CB THR A 79 7.292 -10.798 -5.309 1.00 0.00 C ATOM 1167 OG1 THR A 79 7.261 -9.375 -5.239 1.00 0.00 O ATOM 1168 CG2 THR A 79 8.081 -11.091 -6.587 1.00 0.00 C ATOM 0 H THR A 79 5.417 -9.607 -6.727 1.00 0.00 H new ATOM 0 HA THR A 79 5.765 -12.286 -5.448 1.00 0.00 H new ATOM 0 HB THR A 79 7.747 -11.328 -4.472 1.00 0.00 H new ATOM 0 HG1 THR A 79 6.836 -9.098 -4.401 1.00 0.00 H new ATOM 0 HG21 THR A 79 9.119 -10.788 -6.451 1.00 0.00 H new ATOM 0 HG22 THR A 79 8.040 -12.159 -6.803 1.00 0.00 H new ATOM 0 HG23 THR A 79 7.647 -10.535 -7.418 1.00 0.00 H new ATOM 1176 N HIS A 80 4.354 -9.609 -4.359 1.00 0.00 N ATOM 1177 CA HIS A 80 3.519 -9.077 -3.295 1.00 0.00 C ATOM 1178 C HIS A 80 2.139 -8.725 -3.854 1.00 0.00 C ATOM 1179 O HIS A 80 1.993 -8.488 -5.053 1.00 0.00 O ATOM 1180 CB HIS A 80 4.201 -7.892 -2.610 1.00 0.00 C ATOM 1181 CG HIS A 80 5.617 -8.171 -2.165 1.00 0.00 C ATOM 1182 ND1 HIS A 80 6.512 -8.901 -2.928 1.00 0.00 N ATOM 1183 CD2 HIS A 80 6.282 -7.811 -1.030 1.00 0.00 C ATOM 1184 CE1 HIS A 80 7.661 -8.971 -2.271 1.00 0.00 C ATOM 1185 NE2 HIS A 80 7.516 -8.296 -1.095 1.00 0.00 N ATOM 0 H HIS A 80 4.410 -9.022 -5.191 1.00 0.00 H new ATOM 0 HA HIS A 80 3.378 -9.835 -2.524 1.00 0.00 H new ATOM 0 HB2 HIS A 80 4.207 -7.044 -3.295 1.00 0.00 H new ATOM 0 HB3 HIS A 80 3.610 -7.598 -1.743 1.00 0.00 H new ATOM 0 HD2 HIS A 80 5.874 -7.230 -0.216 1.00 0.00 H new ATOM 0 HE1 HIS A 80 8.555 -9.474 -2.608 1.00 0.00 H new ATOM 0 HE2 HIS A 80 8.237 -8.182 -0.383 1.00 0.00 H new ATOM 1193 N VAL A 81 1.162 -8.701 -2.960 1.00 0.00 N ATOM 1194 CA VAL A 81 -0.201 -8.381 -3.349 1.00 0.00 C ATOM 1195 C VAL A 81 -0.812 -7.432 -2.316 1.00 0.00 C ATOM 1196 O VAL A 81 -1.293 -7.871 -1.272 1.00 0.00 O ATOM 1197 CB VAL A 81 -1.009 -9.668 -3.530 1.00 0.00 C ATOM 1198 CG1 VAL A 81 -2.493 -9.359 -3.734 1.00 0.00 C ATOM 1199 CG2 VAL A 81 -0.458 -10.502 -4.688 1.00 0.00 C ATOM 0 H VAL A 81 1.287 -8.898 -1.967 1.00 0.00 H new ATOM 0 HA VAL A 81 -0.213 -7.867 -4.310 1.00 0.00 H new ATOM 0 HB VAL A 81 -0.912 -10.256 -2.618 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -3.045 -10.291 -3.860 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -2.876 -8.825 -2.864 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -2.617 -8.741 -4.623 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -1.050 -11.411 -4.795 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -0.511 -9.924 -5.610 1.00 0.00 H new ATOM 0 HG23 VAL A 81 0.580 -10.766 -4.484 1.00 0.00 H new ATOM 1209 N ILE A 82 -0.773 -6.149 -2.643 1.00 0.00 N ATOM 1210 CA ILE A 82 -1.318 -5.134 -1.756 1.00 0.00 C ATOM 1211 C ILE A 82 -2.843 -5.127 -1.872 1.00 0.00 C ATOM 1212 O ILE A 82 -3.394 -4.593 -2.833 1.00 0.00 O ATOM 1213 CB ILE A 82 -0.673 -3.775 -2.038 1.00 0.00 C ATOM 1214 CG1 ILE A 82 0.853 -3.885 -2.052 1.00 0.00 C ATOM 1215 CG2 ILE A 82 -1.163 -2.720 -1.044 1.00 0.00 C ATOM 1216 CD1 ILE A 82 1.444 -3.492 -0.697 1.00 0.00 C ATOM 0 H ILE A 82 -0.373 -5.789 -3.509 1.00 0.00 H new ATOM 0 HA ILE A 82 -1.078 -5.366 -0.718 1.00 0.00 H new ATOM 0 HB ILE A 82 -0.981 -3.449 -3.032 1.00 0.00 H new ATOM 0 HG12 ILE A 82 1.145 -4.906 -2.298 1.00 0.00 H new ATOM 0 HG13 ILE A 82 1.260 -3.241 -2.831 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -0.690 -1.763 -1.266 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -2.245 -2.617 -1.126 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -0.904 -3.027 -0.031 1.00 0.00 H new ATOM 0 HD11 ILE A 82 2.530 -3.579 -0.735 1.00 0.00 H new ATOM 0 HD12 ILE A 82 1.170 -2.463 -0.465 1.00 0.00 H new ATOM 0 HD13 ILE A 82 1.053 -4.154 0.076 1.00 0.00 H new ATOM 1228 N VAL A 83 -3.483 -5.726 -0.878 1.00 0.00 N ATOM 1229 CA VAL A 83 -4.934 -5.796 -0.856 1.00 0.00 C ATOM 1230 C VAL A 83 -5.490 -4.547 -0.169 1.00 0.00 C ATOM 1231 O VAL A 83 -5.393 -4.410 1.050 1.00 0.00 O ATOM 1232 CB VAL A 83 -5.386 -7.097 -0.190 1.00 0.00 C ATOM 1233 CG1 VAL A 83 -6.909 -7.144 -0.056 1.00 0.00 C ATOM 1234 CG2 VAL A 83 -4.865 -8.315 -0.955 1.00 0.00 C ATOM 0 H VAL A 83 -3.023 -6.167 -0.082 1.00 0.00 H new ATOM 0 HA VAL A 83 -5.331 -5.812 -1.871 1.00 0.00 H new ATOM 0 HB VAL A 83 -4.960 -7.125 0.813 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -7.204 -8.079 0.420 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -7.247 -6.305 0.552 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -7.363 -7.082 -1.045 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -5.201 -9.226 -0.460 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -5.247 -8.294 -1.976 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -3.775 -8.293 -0.975 1.00 0.00 H new ATOM 1244 N GLY A 84 -6.060 -3.668 -0.980 1.00 0.00 N ATOM 1245 CA GLY A 84 -6.632 -2.436 -0.464 1.00 0.00 C ATOM 1246 C GLY A 84 -8.148 -2.561 -0.299 1.00 0.00 C ATOM 1247 O GLY A 84 -8.779 -1.715 0.332 1.00 0.00 O ATOM 0 H GLY A 84 -6.138 -3.784 -1.990 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -6.177 -2.194 0.497 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -6.403 -1.613 -1.141 1.00 0.00 H new ATOM 1251 N ASP A 85 -8.688 -3.624 -0.878 1.00 0.00 N ATOM 1252 CA ASP A 85 -10.118 -3.871 -0.803 1.00 0.00 C ATOM 1253 C ASP A 85 -10.428 -5.237 -1.418 1.00 0.00 C ATOM 1254 O ASP A 85 -10.879 -5.319 -2.559 1.00 0.00 O ATOM 1255 CB ASP A 85 -10.901 -2.812 -1.582 1.00 0.00 C ATOM 1256 CG ASP A 85 -11.662 -1.805 -0.718 1.00 0.00 C ATOM 1257 OD1 ASP A 85 -11.427 -1.818 0.510 1.00 0.00 O ATOM 1258 OD2 ASP A 85 -12.461 -1.044 -1.304 1.00 0.00 O ATOM 0 H ASP A 85 -8.161 -4.324 -1.401 1.00 0.00 H new ATOM 0 HA ASP A 85 -10.412 -3.837 0.246 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -10.208 -2.267 -2.223 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -11.612 -3.316 -2.237 1.00 0.00 H new ATOM 1263 N TYR A 86 -10.174 -6.274 -0.634 1.00 0.00 N ATOM 1264 CA TYR A 86 -10.421 -7.633 -1.087 1.00 0.00 C ATOM 1265 C TYR A 86 -9.609 -7.946 -2.346 1.00 0.00 C ATOM 1266 O TYR A 86 -9.536 -7.129 -3.262 1.00 0.00 O ATOM 1267 CB TYR A 86 -11.911 -7.700 -1.427 1.00 0.00 C ATOM 1268 CG TYR A 86 -12.833 -7.454 -0.231 1.00 0.00 C ATOM 1269 CD1 TYR A 86 -12.999 -6.175 0.261 1.00 0.00 C ATOM 1270 CD2 TYR A 86 -13.499 -8.510 0.357 1.00 0.00 C ATOM 1271 CE1 TYR A 86 -13.867 -5.943 1.386 1.00 0.00 C ATOM 1272 CE2 TYR A 86 -14.367 -8.279 1.482 1.00 0.00 C ATOM 1273 CZ TYR A 86 -14.508 -7.006 1.941 1.00 0.00 C ATOM 1274 OH TYR A 86 -15.328 -6.787 3.005 1.00 0.00 O ATOM 0 H TYR A 86 -9.800 -6.201 0.312 1.00 0.00 H new ATOM 0 HA TYR A 86 -10.135 -8.352 -0.319 1.00 0.00 H new ATOM 0 HB2 TYR A 86 -12.131 -6.963 -2.200 1.00 0.00 H new ATOM 0 HB3 TYR A 86 -12.133 -8.680 -1.849 1.00 0.00 H new ATOM 0 HD1 TYR A 86 -12.478 -5.348 -0.198 1.00 0.00 H new ATOM 0 HD2 TYR A 86 -13.369 -9.511 -0.027 1.00 0.00 H new ATOM 0 HE1 TYR A 86 -14.006 -4.947 1.780 1.00 0.00 H new ATOM 0 HE2 TYR A 86 -14.894 -9.097 1.951 1.00 0.00 H new ATOM 0 HH TYR A 86 -15.719 -7.637 3.297 1.00 0.00 H new ATOM 1284 N ASP A 87 -9.019 -9.133 -2.350 1.00 0.00 N ATOM 1285 CA ASP A 87 -8.215 -9.565 -3.481 1.00 0.00 C ATOM 1286 C ASP A 87 -8.871 -10.785 -4.130 1.00 0.00 C ATOM 1287 O ASP A 87 -8.188 -11.743 -4.489 1.00 0.00 O ATOM 1288 CB ASP A 87 -6.808 -9.965 -3.035 1.00 0.00 C ATOM 1289 CG ASP A 87 -6.755 -10.956 -1.871 1.00 0.00 C ATOM 1290 OD1 ASP A 87 -7.557 -10.770 -0.930 1.00 0.00 O ATOM 1291 OD2 ASP A 87 -5.915 -11.878 -1.948 1.00 0.00 O ATOM 0 H ASP A 87 -9.082 -9.809 -1.588 1.00 0.00 H new ATOM 0 HA ASP A 87 -8.147 -8.735 -4.184 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -6.283 -10.399 -3.886 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -6.264 -9.064 -2.751 1.00 0.00 H new ATOM 1296 N ASP A 88 -10.187 -10.711 -4.261 1.00 0.00 N ATOM 1297 CA ASP A 88 -10.942 -11.798 -4.861 1.00 0.00 C ATOM 1298 C ASP A 88 -10.160 -12.361 -6.050 1.00 0.00 C ATOM 1299 O ASP A 88 -10.269 -13.545 -6.364 1.00 0.00 O ATOM 1300 CB ASP A 88 -12.297 -11.309 -5.375 1.00 0.00 C ATOM 1301 CG ASP A 88 -13.355 -11.080 -4.294 1.00 0.00 C ATOM 1302 OD1 ASP A 88 -13.397 -9.944 -3.773 1.00 0.00 O ATOM 1303 OD2 ASP A 88 -14.097 -12.045 -4.012 1.00 0.00 O ATOM 0 H ASP A 88 -10.750 -9.915 -3.962 1.00 0.00 H new ATOM 0 HA ASP A 88 -11.100 -12.561 -4.098 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -12.147 -10.376 -5.919 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -12.681 -12.036 -6.090 1.00 0.00 H new ATOM 1308 N GLU A 89 -9.389 -11.486 -6.678 1.00 0.00 N ATOM 1309 CA GLU A 89 -8.590 -11.881 -7.825 1.00 0.00 C ATOM 1310 C GLU A 89 -7.602 -12.980 -7.431 1.00 0.00 C ATOM 1311 O GLU A 89 -7.580 -14.048 -8.040 1.00 0.00 O ATOM 1312 CB GLU A 89 -7.860 -10.677 -8.426 1.00 0.00 C ATOM 1313 CG GLU A 89 -8.035 -10.632 -9.945 1.00 0.00 C ATOM 1314 CD GLU A 89 -7.992 -12.039 -10.544 1.00 0.00 C ATOM 1315 OE1 GLU A 89 -6.906 -12.653 -10.473 1.00 0.00 O ATOM 1316 OE2 GLU A 89 -9.047 -12.468 -11.060 1.00 0.00 O ATOM 0 H GLU A 89 -9.301 -10.505 -6.414 1.00 0.00 H new ATOM 0 HA GLU A 89 -9.259 -12.278 -8.589 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -8.244 -9.757 -7.985 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -6.799 -10.730 -8.180 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -8.985 -10.157 -10.191 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -7.249 -10.020 -10.387 1.00 0.00 H new ATOM 1323 N LEU A 90 -6.808 -12.680 -6.413 1.00 0.00 N ATOM 1324 CA LEU A 90 -5.820 -13.630 -5.929 1.00 0.00 C ATOM 1325 C LEU A 90 -6.423 -15.036 -5.941 1.00 0.00 C ATOM 1326 O LEU A 90 -5.849 -15.957 -6.521 1.00 0.00 O ATOM 1327 CB LEU A 90 -5.288 -13.200 -4.561 1.00 0.00 C ATOM 1328 CG LEU A 90 -3.791 -13.412 -4.326 1.00 0.00 C ATOM 1329 CD1 LEU A 90 -3.206 -12.288 -3.469 1.00 0.00 C ATOM 1330 CD2 LEU A 90 -3.521 -14.792 -3.723 1.00 0.00 C ATOM 0 H LEU A 90 -6.829 -11.793 -5.910 1.00 0.00 H new ATOM 0 HA LEU A 90 -4.953 -13.649 -6.590 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -5.511 -12.142 -4.423 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -5.837 -13.744 -3.792 1.00 0.00 H new ATOM 0 HG LEU A 90 -3.285 -13.377 -5.291 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -2.141 -12.463 -3.317 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -3.348 -11.333 -3.975 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -3.711 -12.266 -2.503 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -2.450 -14.917 -3.566 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -4.040 -14.880 -2.769 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -3.880 -15.563 -4.404 1.00 0.00 H new ATOM 1342 N LYS A 91 -7.572 -15.158 -5.293 1.00 0.00 N ATOM 1343 CA LYS A 91 -8.258 -16.437 -5.221 1.00 0.00 C ATOM 1344 C LYS A 91 -8.153 -17.144 -6.573 1.00 0.00 C ATOM 1345 O LYS A 91 -7.928 -18.352 -6.630 1.00 0.00 O ATOM 1346 CB LYS A 91 -9.697 -16.246 -4.737 1.00 0.00 C ATOM 1347 CG LYS A 91 -9.731 -15.834 -3.264 1.00 0.00 C ATOM 1348 CD LYS A 91 -11.044 -15.129 -2.921 1.00 0.00 C ATOM 1349 CE LYS A 91 -11.752 -15.825 -1.756 1.00 0.00 C ATOM 1350 NZ LYS A 91 -12.975 -16.512 -2.229 1.00 0.00 N ATOM 0 H LYS A 91 -8.045 -14.392 -4.813 1.00 0.00 H new ATOM 0 HA LYS A 91 -7.781 -17.084 -4.485 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -10.190 -15.485 -5.342 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -10.256 -17.172 -4.872 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -9.612 -16.715 -2.634 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -8.892 -15.172 -3.049 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -10.846 -14.089 -2.662 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -11.696 -15.121 -3.795 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -11.079 -16.546 -1.292 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -12.012 -15.093 -0.991 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -13.443 -16.979 -1.426 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -13.623 -15.816 -2.651 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -12.719 -17.224 -2.943 1.00 0.00 H new ATOM 1364 N GLN A 92 -8.321 -16.361 -7.629 1.00 0.00 N ATOM 1365 CA GLN A 92 -8.248 -16.898 -8.978 1.00 0.00 C ATOM 1366 C GLN A 92 -6.841 -17.428 -9.262 1.00 0.00 C ATOM 1367 O GLN A 92 -6.683 -18.540 -9.766 1.00 0.00 O ATOM 1368 CB GLN A 92 -8.656 -15.844 -10.009 1.00 0.00 C ATOM 1369 CG GLN A 92 -9.975 -15.176 -9.619 1.00 0.00 C ATOM 1370 CD GLN A 92 -11.090 -15.550 -10.598 1.00 0.00 C ATOM 1371 OE1 GLN A 92 -11.746 -16.571 -10.471 1.00 0.00 O ATOM 1372 NE2 GLN A 92 -11.266 -14.670 -11.579 1.00 0.00 N ATOM 0 H GLN A 92 -8.507 -15.359 -7.578 1.00 0.00 H new ATOM 0 HA GLN A 92 -8.950 -17.728 -9.058 1.00 0.00 H new ATOM 0 HB2 GLN A 92 -7.873 -15.090 -10.092 1.00 0.00 H new ATOM 0 HB3 GLN A 92 -8.756 -16.309 -10.990 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -10.256 -15.479 -8.610 1.00 0.00 H new ATOM 0 HG3 GLN A 92 -9.848 -14.094 -9.603 1.00 0.00 H new ATOM 0 HE21 GLN A 92 -10.682 -13.835 -11.626 1.00 0.00 H new ATOM 0 HE22 GLN A 92 -11.985 -14.830 -12.284 1.00 0.00 H new ATOM 1381 N PHE A 93 -5.855 -16.609 -8.927 1.00 0.00 N ATOM 1382 CA PHE A 93 -4.467 -16.982 -9.140 1.00 0.00 C ATOM 1383 C PHE A 93 -4.106 -18.233 -8.336 1.00 0.00 C ATOM 1384 O PHE A 93 -3.126 -18.910 -8.642 1.00 0.00 O ATOM 1385 CB PHE A 93 -3.610 -15.813 -8.652 1.00 0.00 C ATOM 1386 CG PHE A 93 -2.108 -16.104 -8.643 1.00 0.00 C ATOM 1387 CD1 PHE A 93 -1.514 -16.650 -9.738 1.00 0.00 C ATOM 1388 CD2 PHE A 93 -1.366 -15.816 -7.540 1.00 0.00 C ATOM 1389 CE1 PHE A 93 -0.120 -16.920 -9.729 1.00 0.00 C ATOM 1390 CE2 PHE A 93 0.028 -16.086 -7.531 1.00 0.00 C ATOM 1391 CZ PHE A 93 0.621 -16.632 -8.626 1.00 0.00 C ATOM 0 H PHE A 93 -5.990 -15.688 -8.509 1.00 0.00 H new ATOM 0 HA PHE A 93 -4.298 -17.199 -10.195 1.00 0.00 H new ATOM 0 HB2 PHE A 93 -3.798 -14.948 -9.288 1.00 0.00 H new ATOM 0 HB3 PHE A 93 -3.923 -15.542 -7.644 1.00 0.00 H new ATOM 0 HD1 PHE A 93 -2.103 -16.878 -10.614 1.00 0.00 H new ATOM 0 HD2 PHE A 93 -1.837 -15.382 -6.671 1.00 0.00 H new ATOM 0 HE1 PHE A 93 0.352 -17.354 -10.598 1.00 0.00 H new ATOM 0 HE2 PHE A 93 0.617 -15.858 -6.655 1.00 0.00 H new ATOM 0 HZ PHE A 93 1.681 -16.837 -8.620 1.00 0.00 H new ATOM 1401 N TRP A 94 -4.918 -18.503 -7.325 1.00 0.00 N ATOM 1402 CA TRP A 94 -4.697 -19.661 -6.475 1.00 0.00 C ATOM 1403 C TRP A 94 -5.274 -20.886 -7.186 1.00 0.00 C ATOM 1404 O TRP A 94 -4.871 -22.015 -6.910 1.00 0.00 O ATOM 1405 CB TRP A 94 -5.293 -19.441 -5.083 1.00 0.00 C ATOM 1406 CG TRP A 94 -4.388 -18.652 -4.136 1.00 0.00 C ATOM 1407 CD1 TRP A 94 -3.054 -18.531 -4.179 1.00 0.00 C ATOM 1408 CD2 TRP A 94 -4.807 -17.874 -2.995 1.00 0.00 C ATOM 1409 NE1 TRP A 94 -2.585 -17.735 -3.154 1.00 0.00 N ATOM 1410 CE2 TRP A 94 -3.685 -17.323 -2.411 1.00 0.00 C ATOM 1411 CE3 TRP A 94 -6.092 -17.643 -2.473 1.00 0.00 C ATOM 1412 CZ2 TRP A 94 -3.734 -16.506 -1.275 1.00 0.00 C ATOM 1413 CZ3 TRP A 94 -6.125 -16.825 -1.338 1.00 0.00 C ATOM 1414 CH2 TRP A 94 -5.004 -16.262 -0.738 1.00 0.00 C ATOM 0 H TRP A 94 -5.731 -17.940 -7.075 1.00 0.00 H new ATOM 0 HA TRP A 94 -3.631 -19.823 -6.313 1.00 0.00 H new ATOM 0 HB2 TRP A 94 -6.242 -18.915 -5.185 1.00 0.00 H new ATOM 0 HB3 TRP A 94 -5.512 -20.410 -4.636 1.00 0.00 H new ATOM 0 HD1 TRP A 94 -2.425 -18.998 -4.923 1.00 0.00 H new ATOM 0 HE1 TRP A 94 -1.610 -17.493 -2.975 1.00 0.00 H new ATOM 0 HE3 TRP A 94 -6.984 -18.064 -2.914 1.00 0.00 H new ATOM 0 HZ2 TRP A 94 -2.841 -16.087 -0.837 1.00 0.00 H new ATOM 0 HZ3 TRP A 94 -7.089 -16.616 -0.897 1.00 0.00 H new ATOM 0 HH2 TRP A 94 -5.112 -15.640 0.138 1.00 0.00 H new ATOM 1425 N ASN A 95 -6.208 -20.622 -8.087 1.00 0.00 N ATOM 1426 CA ASN A 95 -6.845 -21.690 -8.840 1.00 0.00 C ATOM 1427 C ASN A 95 -6.232 -21.756 -10.241 1.00 0.00 C ATOM 1428 O ASN A 95 -6.694 -22.517 -11.089 1.00 0.00 O ATOM 1429 CB ASN A 95 -8.346 -21.437 -8.992 1.00 0.00 C ATOM 1430 CG ASN A 95 -9.109 -21.898 -7.748 1.00 0.00 C ATOM 1431 OD1 ASN A 95 -9.087 -21.264 -6.706 1.00 0.00 O ATOM 1432 ND2 ASN A 95 -9.782 -23.032 -7.915 1.00 0.00 N ATOM 0 H ASN A 95 -6.539 -19.684 -8.313 1.00 0.00 H new ATOM 0 HA ASN A 95 -6.690 -22.623 -8.299 1.00 0.00 H new ATOM 0 HB2 ASN A 95 -8.524 -20.375 -9.159 1.00 0.00 H new ATOM 0 HB3 ASN A 95 -8.720 -21.965 -9.869 1.00 0.00 H new ATOM 0 HD21 ASN A 95 -10.323 -23.422 -7.143 1.00 0.00 H new ATOM 0 HD22 ASN A 95 -9.757 -23.512 -8.815 1.00 0.00 H new ATOM 1439 N LYS A 96 -5.201 -20.948 -10.439 1.00 0.00 N ATOM 1440 CA LYS A 96 -4.520 -20.905 -11.722 1.00 0.00 C ATOM 1441 C LYS A 96 -3.142 -21.555 -11.585 1.00 0.00 C ATOM 1442 O LYS A 96 -2.942 -22.691 -12.012 1.00 0.00 O ATOM 1443 CB LYS A 96 -4.474 -19.473 -12.257 1.00 0.00 C ATOM 1444 CG LYS A 96 -5.872 -18.988 -12.648 1.00 0.00 C ATOM 1445 CD LYS A 96 -5.893 -18.481 -14.091 1.00 0.00 C ATOM 1446 CE LYS A 96 -7.305 -18.058 -14.503 1.00 0.00 C ATOM 1447 NZ LYS A 96 -7.700 -18.728 -15.761 1.00 0.00 N ATOM 0 H LYS A 96 -4.821 -20.318 -9.733 1.00 0.00 H new ATOM 0 HA LYS A 96 -5.072 -21.480 -12.465 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -4.054 -18.811 -11.499 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -3.813 -19.426 -13.123 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -6.588 -19.802 -12.534 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -6.186 -18.191 -11.974 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -5.212 -17.636 -14.193 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -5.534 -19.263 -14.760 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -8.012 -18.310 -13.712 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -7.344 -16.976 -14.632 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -8.660 -18.430 -16.026 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -7.035 -18.467 -16.517 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -7.683 -19.759 -15.626 1.00 0.00 H new ATOM 1461 N SER A 97 -2.227 -20.806 -10.988 1.00 0.00 N ATOM 1462 CA SER A 97 -0.873 -21.294 -10.790 1.00 0.00 C ATOM 1463 C SER A 97 -0.631 -21.577 -9.306 1.00 0.00 C ATOM 1464 O SER A 97 -1.324 -21.036 -8.446 1.00 0.00 O ATOM 1465 CB SER A 97 0.157 -20.292 -11.313 1.00 0.00 C ATOM 1466 OG SER A 97 0.155 -20.218 -12.737 1.00 0.00 O ATOM 0 H SER A 97 -2.397 -19.864 -10.635 1.00 0.00 H new ATOM 0 HA SER A 97 -0.758 -22.219 -11.354 1.00 0.00 H new ATOM 0 HB2 SER A 97 -0.053 -19.306 -10.898 1.00 0.00 H new ATOM 0 HB3 SER A 97 1.150 -20.578 -10.966 1.00 0.00 H new ATOM 0 HG SER A 97 1.073 -20.296 -13.070 1.00 0.00 H new ATOM 1472 N ALA A 98 0.355 -22.425 -9.051 1.00 0.00 N ATOM 1473 CA ALA A 98 0.697 -22.787 -7.685 1.00 0.00 C ATOM 1474 C ALA A 98 1.739 -21.804 -7.148 1.00 0.00 C ATOM 1475 O ALA A 98 2.933 -21.958 -7.405 1.00 0.00 O ATOM 1476 CB ALA A 98 1.187 -24.235 -7.648 1.00 0.00 C ATOM 0 H ALA A 98 0.928 -22.872 -9.767 1.00 0.00 H new ATOM 0 HA ALA A 98 -0.179 -22.724 -7.040 1.00 0.00 H new ATOM 0 HB1 ALA A 98 1.443 -24.506 -6.624 1.00 0.00 H new ATOM 0 HB2 ALA A 98 0.400 -24.895 -8.012 1.00 0.00 H new ATOM 0 HB3 ALA A 98 2.068 -24.337 -8.282 1.00 0.00 H new ATOM 1482 N HIS A 99 1.251 -20.816 -6.413 1.00 0.00 N ATOM 1483 CA HIS A 99 2.126 -19.809 -5.837 1.00 0.00 C ATOM 1484 C HIS A 99 1.345 -18.970 -4.823 1.00 0.00 C ATOM 1485 O HIS A 99 0.176 -18.657 -5.040 1.00 0.00 O ATOM 1486 CB HIS A 99 2.774 -18.961 -6.934 1.00 0.00 C ATOM 1487 CG HIS A 99 3.683 -17.873 -6.413 1.00 0.00 C ATOM 1488 ND1 HIS A 99 4.943 -18.130 -5.903 1.00 0.00 N ATOM 1489 CD2 HIS A 99 3.501 -16.524 -6.330 1.00 0.00 C ATOM 1490 CE1 HIS A 99 5.486 -16.980 -5.532 1.00 0.00 C ATOM 1491 NE2 HIS A 99 4.591 -15.986 -5.797 1.00 0.00 N ATOM 0 H HIS A 99 0.261 -20.691 -6.203 1.00 0.00 H new ATOM 0 HA HIS A 99 2.943 -20.294 -5.303 1.00 0.00 H new ATOM 0 HB2 HIS A 99 3.346 -19.614 -7.593 1.00 0.00 H new ATOM 0 HB3 HIS A 99 1.989 -18.506 -7.539 1.00 0.00 H new ATOM 0 HD2 HIS A 99 2.620 -15.985 -6.645 1.00 0.00 H new ATOM 0 HE1 HIS A 99 6.466 -16.852 -5.096 1.00 0.00 H new ATOM 0 HE2 HIS A 99 4.735 -14.993 -5.616 1.00 0.00 H new ATOM 1499 N ARG A 100 2.024 -18.630 -3.737 1.00 0.00 N ATOM 1500 CA ARG A 100 1.409 -17.834 -2.689 1.00 0.00 C ATOM 1501 C ARG A 100 2.174 -16.522 -2.501 1.00 0.00 C ATOM 1502 O ARG A 100 3.199 -16.489 -1.822 1.00 0.00 O ATOM 1503 CB ARG A 100 1.382 -18.596 -1.362 1.00 0.00 C ATOM 1504 CG ARG A 100 0.025 -18.446 -0.672 1.00 0.00 C ATOM 1505 CD ARG A 100 -0.842 -19.687 -0.894 1.00 0.00 C ATOM 1506 NE ARG A 100 -1.542 -20.046 0.360 1.00 0.00 N ATOM 1507 CZ ARG A 100 -1.012 -20.813 1.323 1.00 0.00 C ATOM 1508 NH1 ARG A 100 0.226 -21.305 1.182 1.00 0.00 N ATOM 1509 NH2 ARG A 100 -1.721 -21.087 2.427 1.00 0.00 N ATOM 0 H ARG A 100 2.994 -18.891 -3.561 1.00 0.00 H new ATOM 0 HA ARG A 100 0.384 -17.621 -2.993 1.00 0.00 H new ATOM 0 HB2 ARG A 100 1.589 -19.651 -1.540 1.00 0.00 H new ATOM 0 HB3 ARG A 100 2.170 -18.223 -0.708 1.00 0.00 H new ATOM 0 HG2 ARG A 100 0.172 -18.287 0.396 1.00 0.00 H new ATOM 0 HG3 ARG A 100 -0.488 -17.565 -1.058 1.00 0.00 H new ATOM 0 HD2 ARG A 100 -1.568 -19.497 -1.684 1.00 0.00 H new ATOM 0 HD3 ARG A 100 -0.222 -20.520 -1.225 1.00 0.00 H new ATOM 0 HE ARG A 100 -2.487 -19.687 0.500 1.00 0.00 H new ATOM 0 HH11 ARG A 100 0.765 -21.096 0.342 1.00 0.00 H new ATOM 0 HH12 ARG A 100 0.629 -21.889 1.915 1.00 0.00 H new ATOM 0 HH21 ARG A 100 -2.663 -20.712 2.534 1.00 0.00 H new ATOM 0 HH22 ARG A 100 -1.318 -21.671 3.160 1.00 0.00 H new ATOM 1523 N PRO A 101 1.632 -15.445 -3.130 1.00 0.00 N ATOM 1524 CA PRO A 101 2.252 -14.135 -3.039 1.00 0.00 C ATOM 1525 C PRO A 101 2.001 -13.503 -1.668 1.00 0.00 C ATOM 1526 O PRO A 101 1.103 -13.926 -0.941 1.00 0.00 O ATOM 1527 CB PRO A 101 1.649 -13.333 -4.181 1.00 0.00 C ATOM 1528 CG PRO A 101 0.380 -14.068 -4.581 1.00 0.00 C ATOM 1529 CD PRO A 101 0.419 -15.447 -3.942 1.00 0.00 C ATOM 0 HA PRO A 101 3.337 -14.177 -3.129 1.00 0.00 H new ATOM 0 HB2 PRO A 101 1.427 -12.313 -3.868 1.00 0.00 H new ATOM 0 HB3 PRO A 101 2.342 -13.265 -5.020 1.00 0.00 H new ATOM 0 HG2 PRO A 101 -0.501 -13.518 -4.249 1.00 0.00 H new ATOM 0 HG3 PRO A 101 0.313 -14.152 -5.666 1.00 0.00 H new ATOM 0 HD2 PRO A 101 -0.466 -15.626 -3.331 1.00 0.00 H new ATOM 0 HD3 PRO A 101 0.449 -16.233 -4.697 1.00 0.00 H new ATOM 1537 N HIS A 102 2.810 -12.502 -1.355 1.00 0.00 N ATOM 1538 CA HIS A 102 2.686 -11.808 -0.085 1.00 0.00 C ATOM 1539 C HIS A 102 1.466 -10.886 -0.120 1.00 0.00 C ATOM 1540 O HIS A 102 1.477 -9.861 -0.800 1.00 0.00 O ATOM 1541 CB HIS A 102 3.980 -11.066 0.257 1.00 0.00 C ATOM 1542 CG HIS A 102 5.227 -11.902 0.098 1.00 0.00 C ATOM 1543 ND1 HIS A 102 5.332 -13.193 0.585 1.00 0.00 N ATOM 1544 CD2 HIS A 102 6.420 -11.618 -0.500 1.00 0.00 C ATOM 1545 CE1 HIS A 102 6.538 -13.655 0.290 1.00 0.00 C ATOM 1546 NE2 HIS A 102 7.211 -12.678 -0.382 1.00 0.00 N ATOM 0 H HIS A 102 3.555 -12.155 -1.960 1.00 0.00 H new ATOM 0 HA HIS A 102 2.528 -12.532 0.715 1.00 0.00 H new ATOM 0 HB2 HIS A 102 4.061 -10.186 -0.380 1.00 0.00 H new ATOM 0 HB3 HIS A 102 3.922 -10.710 1.286 1.00 0.00 H new ATOM 0 HD2 HIS A 102 6.677 -10.689 -0.987 1.00 0.00 H new ATOM 0 HE1 HIS A 102 6.921 -14.634 0.538 1.00 0.00 H new ATOM 0 HE2 HIS A 102 8.165 -12.750 -0.736 1.00 0.00 H new ATOM 1554 N VAL A 103 0.442 -11.284 0.622 1.00 0.00 N ATOM 1555 CA VAL A 103 -0.783 -10.506 0.685 1.00 0.00 C ATOM 1556 C VAL A 103 -0.733 -9.580 1.901 1.00 0.00 C ATOM 1557 O VAL A 103 -0.804 -10.040 3.040 1.00 0.00 O ATOM 1558 CB VAL A 103 -1.996 -11.440 0.694 1.00 0.00 C ATOM 1559 CG1 VAL A 103 -3.300 -10.645 0.599 1.00 0.00 C ATOM 1560 CG2 VAL A 103 -1.900 -12.474 -0.430 1.00 0.00 C ATOM 0 H VAL A 103 0.436 -12.135 1.184 1.00 0.00 H new ATOM 0 HA VAL A 103 -0.881 -9.876 -0.199 1.00 0.00 H new ATOM 0 HB VAL A 103 -1.999 -11.977 1.643 1.00 0.00 H new ATOM 0 HG11 VAL A 103 -4.146 -11.332 0.607 1.00 0.00 H new ATOM 0 HG12 VAL A 103 -3.375 -9.966 1.449 1.00 0.00 H new ATOM 0 HG13 VAL A 103 -3.309 -10.070 -0.327 1.00 0.00 H new ATOM 0 HG21 VAL A 103 -2.774 -13.125 -0.401 1.00 0.00 H new ATOM 0 HG22 VAL A 103 -1.860 -11.963 -1.392 1.00 0.00 H new ATOM 0 HG23 VAL A 103 -0.998 -13.072 -0.299 1.00 0.00 H new ATOM 1570 N VAL A 104 -0.610 -8.291 1.619 1.00 0.00 N ATOM 1571 CA VAL A 104 -0.550 -7.296 2.676 1.00 0.00 C ATOM 1572 C VAL A 104 -1.375 -6.074 2.268 1.00 0.00 C ATOM 1573 O VAL A 104 -1.931 -6.034 1.172 1.00 0.00 O ATOM 1574 CB VAL A 104 0.908 -6.954 2.990 1.00 0.00 C ATOM 1575 CG1 VAL A 104 1.672 -8.194 3.461 1.00 0.00 C ATOM 1576 CG2 VAL A 104 1.594 -6.314 1.782 1.00 0.00 C ATOM 0 H VAL A 104 -0.550 -7.913 0.674 1.00 0.00 H new ATOM 0 HA VAL A 104 -0.984 -7.689 3.595 1.00 0.00 H new ATOM 0 HB VAL A 104 0.914 -6.227 3.802 1.00 0.00 H new ATOM 0 HG11 VAL A 104 2.706 -7.924 3.678 1.00 0.00 H new ATOM 0 HG12 VAL A 104 1.204 -8.589 4.362 1.00 0.00 H new ATOM 0 HG13 VAL A 104 1.652 -8.953 2.679 1.00 0.00 H new ATOM 0 HG21 VAL A 104 2.629 -6.081 2.032 1.00 0.00 H new ATOM 0 HG22 VAL A 104 1.571 -7.007 0.941 1.00 0.00 H new ATOM 0 HG23 VAL A 104 1.071 -5.397 1.510 1.00 0.00 H new ATOM 1586 N GLY A 105 -1.429 -5.107 3.172 1.00 0.00 N ATOM 1587 CA GLY A 105 -2.177 -3.887 2.921 1.00 0.00 C ATOM 1588 C GLY A 105 -1.237 -2.725 2.595 1.00 0.00 C ATOM 1589 O GLY A 105 -0.106 -2.683 3.077 1.00 0.00 O ATOM 0 H GLY A 105 -0.966 -5.144 4.080 1.00 0.00 H new ATOM 0 HA2 GLY A 105 -2.868 -4.044 2.093 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -2.779 -3.639 3.795 1.00 0.00 H new ATOM 1593 N ALA A 106 -1.740 -1.810 1.779 1.00 0.00 N ATOM 1594 CA ALA A 106 -0.959 -0.650 1.383 1.00 0.00 C ATOM 1595 C ALA A 106 -0.216 -0.101 2.602 1.00 0.00 C ATOM 1596 O ALA A 106 0.910 0.380 2.482 1.00 0.00 O ATOM 1597 CB ALA A 106 -1.880 0.391 0.743 1.00 0.00 C ATOM 0 H ALA A 106 -2.679 -1.848 1.381 1.00 0.00 H new ATOM 0 HA ALA A 106 -0.212 -0.926 0.639 1.00 0.00 H new ATOM 0 HB1 ALA A 106 -1.295 1.261 0.446 1.00 0.00 H new ATOM 0 HB2 ALA A 106 -2.361 -0.040 -0.135 1.00 0.00 H new ATOM 0 HB3 ALA A 106 -2.641 0.694 1.462 1.00 0.00 H new ATOM 1603 N LYS A 107 -0.876 -0.191 3.748 1.00 0.00 N ATOM 1604 CA LYS A 107 -0.292 0.291 4.988 1.00 0.00 C ATOM 1605 C LYS A 107 1.199 -0.052 5.011 1.00 0.00 C ATOM 1606 O LYS A 107 2.035 0.811 5.274 1.00 0.00 O ATOM 1607 CB LYS A 107 -1.067 -0.249 6.191 1.00 0.00 C ATOM 1608 CG LYS A 107 -0.957 0.700 7.385 1.00 0.00 C ATOM 1609 CD LYS A 107 -2.196 0.605 8.277 1.00 0.00 C ATOM 1610 CE LYS A 107 -1.932 1.223 9.652 1.00 0.00 C ATOM 1611 NZ LYS A 107 -2.998 2.190 9.998 1.00 0.00 N ATOM 0 H LYS A 107 -1.810 -0.591 3.843 1.00 0.00 H new ATOM 0 HA LYS A 107 -0.371 1.376 5.050 1.00 0.00 H new ATOM 0 HB2 LYS A 107 -2.115 -0.382 5.923 1.00 0.00 H new ATOM 0 HB3 LYS A 107 -0.681 -1.231 6.466 1.00 0.00 H new ATOM 0 HG2 LYS A 107 -0.067 0.458 7.966 1.00 0.00 H new ATOM 0 HG3 LYS A 107 -0.837 1.724 7.031 1.00 0.00 H new ATOM 0 HD2 LYS A 107 -3.032 1.116 7.799 1.00 0.00 H new ATOM 0 HD3 LYS A 107 -2.485 -0.439 8.393 1.00 0.00 H new ATOM 0 HE2 LYS A 107 -1.885 0.438 10.407 1.00 0.00 H new ATOM 0 HE3 LYS A 107 -0.964 1.724 9.652 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 -3.063 2.279 11.032 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 -2.773 3.117 9.584 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 -3.907 1.854 9.621 1.00 0.00 H new ATOM 1625 N TRP A 108 1.487 -1.315 4.733 1.00 0.00 N ATOM 1626 CA TRP A 108 2.863 -1.784 4.720 1.00 0.00 C ATOM 1627 C TRP A 108 3.636 -0.949 3.697 1.00 0.00 C ATOM 1628 O TRP A 108 4.584 -0.249 4.051 1.00 0.00 O ATOM 1629 CB TRP A 108 2.927 -3.286 4.437 1.00 0.00 C ATOM 1630 CG TRP A 108 4.320 -3.786 4.046 1.00 0.00 C ATOM 1631 CD1 TRP A 108 5.316 -4.170 4.856 1.00 0.00 C ATOM 1632 CD2 TRP A 108 4.832 -3.942 2.706 1.00 0.00 C ATOM 1633 NE1 TRP A 108 6.429 -4.560 4.139 1.00 0.00 N ATOM 1634 CE2 TRP A 108 6.125 -4.417 2.790 1.00 0.00 C ATOM 1635 CE3 TRP A 108 4.224 -3.690 1.464 1.00 0.00 C ATOM 1636 CZ2 TRP A 108 6.919 -4.681 1.668 1.00 0.00 C ATOM 1637 CZ3 TRP A 108 5.031 -3.959 0.352 1.00 0.00 C ATOM 1638 CH2 TRP A 108 6.334 -4.437 0.419 1.00 0.00 C ATOM 0 H TRP A 108 0.791 -2.028 4.515 1.00 0.00 H new ATOM 0 HA TRP A 108 3.326 -1.653 5.698 1.00 0.00 H new ATOM 0 HB2 TRP A 108 2.593 -3.827 5.322 1.00 0.00 H new ATOM 0 HB3 TRP A 108 2.228 -3.525 3.635 1.00 0.00 H new ATOM 0 HD1 TRP A 108 5.255 -4.174 5.934 1.00 0.00 H new ATOM 0 HE1 TRP A 108 7.312 -4.892 4.527 1.00 0.00 H new ATOM 0 HE3 TRP A 108 3.214 -3.318 1.375 1.00 0.00 H new ATOM 0 HZ2 TRP A 108 7.929 -5.053 1.760 1.00 0.00 H new ATOM 0 HZ3 TRP A 108 4.611 -3.782 -0.627 1.00 0.00 H new ATOM 0 HH2 TRP A 108 6.893 -4.619 -0.487 1.00 0.00 H new ATOM 1649 N LEU A 109 3.203 -1.049 2.449 1.00 0.00 N ATOM 1650 CA LEU A 109 3.843 -0.312 1.373 1.00 0.00 C ATOM 1651 C LEU A 109 4.196 1.094 1.863 1.00 0.00 C ATOM 1652 O LEU A 109 5.297 1.583 1.615 1.00 0.00 O ATOM 1653 CB LEU A 109 2.966 -0.324 0.120 1.00 0.00 C ATOM 1654 CG LEU A 109 3.631 -0.836 -1.160 1.00 0.00 C ATOM 1655 CD1 LEU A 109 2.894 -0.329 -2.401 1.00 0.00 C ATOM 1656 CD2 LEU A 109 5.117 -0.474 -1.187 1.00 0.00 C ATOM 0 H LEU A 109 2.416 -1.630 2.159 1.00 0.00 H new ATOM 0 HA LEU A 109 4.777 -0.794 1.085 1.00 0.00 H new ATOM 0 HB2 LEU A 109 2.089 -0.939 0.321 1.00 0.00 H new ATOM 0 HB3 LEU A 109 2.610 0.690 -0.060 1.00 0.00 H new ATOM 0 HG LEU A 109 3.564 -1.924 -1.169 1.00 0.00 H new ATOM 0 HD11 LEU A 109 3.387 -0.707 -3.297 1.00 0.00 H new ATOM 0 HD12 LEU A 109 1.862 -0.679 -2.380 1.00 0.00 H new ATOM 0 HD13 LEU A 109 2.907 0.761 -2.412 1.00 0.00 H new ATOM 0 HD21 LEU A 109 5.566 -0.849 -2.107 1.00 0.00 H new ATOM 0 HD22 LEU A 109 5.228 0.609 -1.144 1.00 0.00 H new ATOM 0 HD23 LEU A 109 5.617 -0.924 -0.329 1.00 0.00 H new ATOM 1668 N LEU A 110 3.241 1.703 2.551 1.00 0.00 N ATOM 1669 CA LEU A 110 3.437 3.043 3.078 1.00 0.00 C ATOM 1670 C LEU A 110 4.666 3.053 3.990 1.00 0.00 C ATOM 1671 O LEU A 110 5.654 3.725 3.698 1.00 0.00 O ATOM 1672 CB LEU A 110 2.162 3.543 3.759 1.00 0.00 C ATOM 1673 CG LEU A 110 0.904 3.571 2.889 1.00 0.00 C ATOM 1674 CD1 LEU A 110 -0.299 4.088 3.681 1.00 0.00 C ATOM 1675 CD2 LEU A 110 1.139 4.379 1.611 1.00 0.00 C ATOM 0 H LEU A 110 2.330 1.293 2.756 1.00 0.00 H new ATOM 0 HA LEU A 110 3.634 3.746 2.268 1.00 0.00 H new ATOM 0 HB2 LEU A 110 1.966 2.913 4.626 1.00 0.00 H new ATOM 0 HB3 LEU A 110 2.344 4.551 4.132 1.00 0.00 H new ATOM 0 HG LEU A 110 0.675 2.549 2.586 1.00 0.00 H new ATOM 0 HD11 LEU A 110 -1.180 4.098 3.039 1.00 0.00 H new ATOM 0 HD12 LEU A 110 -0.480 3.436 4.535 1.00 0.00 H new ATOM 0 HD13 LEU A 110 -0.095 5.099 4.033 1.00 0.00 H new ATOM 0 HD21 LEU A 110 0.229 4.383 1.011 1.00 0.00 H new ATOM 0 HD22 LEU A 110 1.406 5.403 1.872 1.00 0.00 H new ATOM 0 HD23 LEU A 110 1.949 3.927 1.039 1.00 0.00 H new ATOM 1687 N GLU A 111 4.564 2.299 5.075 1.00 0.00 N ATOM 1688 CA GLU A 111 5.654 2.213 6.031 1.00 0.00 C ATOM 1689 C GLU A 111 6.986 2.021 5.302 1.00 0.00 C ATOM 1690 O GLU A 111 7.960 2.715 5.588 1.00 0.00 O ATOM 1691 CB GLU A 111 5.413 1.086 7.037 1.00 0.00 C ATOM 1692 CG GLU A 111 3.986 1.138 7.587 1.00 0.00 C ATOM 1693 CD GLU A 111 3.988 1.185 9.116 1.00 0.00 C ATOM 1694 OE1 GLU A 111 5.003 0.743 9.696 1.00 0.00 O ATOM 1695 OE2 GLU A 111 2.975 1.662 9.671 1.00 0.00 O ATOM 0 H GLU A 111 3.743 1.742 5.313 1.00 0.00 H new ATOM 0 HA GLU A 111 5.698 3.149 6.587 1.00 0.00 H new ATOM 0 HB2 GLU A 111 5.587 0.123 6.558 1.00 0.00 H new ATOM 0 HB3 GLU A 111 6.126 1.167 7.857 1.00 0.00 H new ATOM 0 HG2 GLU A 111 3.473 2.015 7.194 1.00 0.00 H new ATOM 0 HG3 GLU A 111 3.430 0.264 7.247 1.00 0.00 H new ATOM 1702 N CYS A 112 6.984 1.075 4.374 1.00 0.00 N ATOM 1703 CA CYS A 112 8.180 0.783 3.602 1.00 0.00 C ATOM 1704 C CYS A 112 8.848 2.108 3.231 1.00 0.00 C ATOM 1705 O CYS A 112 10.009 2.337 3.565 1.00 0.00 O ATOM 1706 CB CYS A 112 7.863 -0.062 2.366 1.00 0.00 C ATOM 1707 SG CYS A 112 7.257 -1.712 2.875 1.00 0.00 S ATOM 0 H CYS A 112 6.174 0.501 4.140 1.00 0.00 H new ATOM 0 HA CYS A 112 8.867 0.187 4.203 1.00 0.00 H new ATOM 0 HB2 CYS A 112 7.111 0.439 1.756 1.00 0.00 H new ATOM 0 HB3 CYS A 112 8.755 -0.168 1.749 1.00 0.00 H new ATOM 0 HG CYS A 112 7.409 -2.552 1.894 1.00 0.00 H new ATOM 1713 N PHE A 113 8.086 2.946 2.544 1.00 0.00 N ATOM 1714 CA PHE A 113 8.589 4.243 2.124 1.00 0.00 C ATOM 1715 C PHE A 113 8.889 5.133 3.332 1.00 0.00 C ATOM 1716 O PHE A 113 10.023 5.570 3.518 1.00 0.00 O ATOM 1717 CB PHE A 113 7.491 4.898 1.283 1.00 0.00 C ATOM 1718 CG PHE A 113 7.301 4.263 -0.096 1.00 0.00 C ATOM 1719 CD1 PHE A 113 8.249 4.426 -1.057 1.00 0.00 C ATOM 1720 CD2 PHE A 113 6.183 3.535 -0.360 1.00 0.00 C ATOM 1721 CE1 PHE A 113 8.072 3.836 -2.336 1.00 0.00 C ATOM 1722 CE2 PHE A 113 6.005 2.945 -1.640 1.00 0.00 C ATOM 1723 CZ PHE A 113 6.954 3.108 -2.601 1.00 0.00 C ATOM 0 H PHE A 113 7.124 2.752 2.268 1.00 0.00 H new ATOM 0 HA PHE A 113 9.514 4.118 1.560 1.00 0.00 H new ATOM 0 HB2 PHE A 113 6.549 4.845 1.829 1.00 0.00 H new ATOM 0 HB3 PHE A 113 7.727 5.955 1.156 1.00 0.00 H new ATOM 0 HD1 PHE A 113 9.137 5.004 -0.847 1.00 0.00 H new ATOM 0 HD2 PHE A 113 5.430 3.405 0.404 1.00 0.00 H new ATOM 0 HE1 PHE A 113 8.825 3.965 -3.099 1.00 0.00 H new ATOM 0 HE2 PHE A 113 5.117 2.367 -1.850 1.00 0.00 H new ATOM 0 HZ PHE A 113 6.820 2.659 -3.574 1.00 0.00 H new ATOM 1733 N SER A 114 7.852 5.374 4.121 1.00 0.00 N ATOM 1734 CA SER A 114 7.991 6.203 5.306 1.00 0.00 C ATOM 1735 C SER A 114 9.230 5.781 6.098 1.00 0.00 C ATOM 1736 O SER A 114 10.041 6.622 6.482 1.00 0.00 O ATOM 1737 CB SER A 114 6.743 6.117 6.187 1.00 0.00 C ATOM 1738 OG SER A 114 6.596 7.266 7.018 1.00 0.00 O ATOM 0 H SER A 114 6.912 5.010 3.963 1.00 0.00 H new ATOM 0 HA SER A 114 8.107 7.239 4.987 1.00 0.00 H new ATOM 0 HB2 SER A 114 5.861 6.010 5.556 1.00 0.00 H new ATOM 0 HB3 SER A 114 6.799 5.224 6.810 1.00 0.00 H new ATOM 0 HG SER A 114 6.138 7.014 7.847 1.00 0.00 H new ATOM 1744 N LYS A 115 9.337 4.479 6.319 1.00 0.00 N ATOM 1745 CA LYS A 115 10.464 3.936 7.059 1.00 0.00 C ATOM 1746 C LYS A 115 11.723 4.016 6.193 1.00 0.00 C ATOM 1747 O LYS A 115 12.835 4.088 6.713 1.00 0.00 O ATOM 1748 CB LYS A 115 10.148 2.524 7.555 1.00 0.00 C ATOM 1749 CG LYS A 115 8.840 2.502 8.350 1.00 0.00 C ATOM 1750 CD LYS A 115 9.102 2.201 9.827 1.00 0.00 C ATOM 1751 CE LYS A 115 8.507 0.848 10.225 1.00 0.00 C ATOM 1752 NZ LYS A 115 8.225 0.813 11.677 1.00 0.00 N ATOM 0 H LYS A 115 8.662 3.784 5.999 1.00 0.00 H new ATOM 0 HA LYS A 115 10.654 4.529 7.954 1.00 0.00 H new ATOM 0 HB2 LYS A 115 10.073 1.845 6.706 1.00 0.00 H new ATOM 0 HB3 LYS A 115 10.964 2.163 8.181 1.00 0.00 H new ATOM 0 HG2 LYS A 115 8.336 3.464 8.255 1.00 0.00 H new ATOM 0 HG3 LYS A 115 8.170 1.749 7.935 1.00 0.00 H new ATOM 0 HD2 LYS A 115 10.175 2.200 10.017 1.00 0.00 H new ATOM 0 HD3 LYS A 115 8.670 2.988 10.445 1.00 0.00 H new ATOM 0 HE2 LYS A 115 7.589 0.669 9.666 1.00 0.00 H new ATOM 0 HE3 LYS A 115 9.200 0.048 9.964 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 7.822 -0.112 11.930 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 9.108 0.962 12.206 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 7.547 1.564 11.917 1.00 0.00 H new ATOM 1766 N GLY A 116 11.505 4.000 4.886 1.00 0.00 N ATOM 1767 CA GLY A 116 12.609 4.070 3.943 1.00 0.00 C ATOM 1768 C GLY A 116 13.168 2.676 3.650 1.00 0.00 C ATOM 1769 O GLY A 116 14.083 2.528 2.841 1.00 0.00 O ATOM 0 H GLY A 116 10.581 3.940 4.458 1.00 0.00 H new ATOM 0 HA2 GLY A 116 12.271 4.533 3.016 1.00 0.00 H new ATOM 0 HA3 GLY A 116 13.398 4.705 4.347 1.00 0.00 H new ATOM 1773 N TYR A 117 12.595 1.690 4.324 1.00 0.00 N ATOM 1774 CA TYR A 117 13.025 0.313 4.146 1.00 0.00 C ATOM 1775 C TYR A 117 11.834 -0.645 4.203 1.00 0.00 C ATOM 1776 O TYR A 117 10.804 -0.327 4.795 1.00 0.00 O ATOM 1777 CB TYR A 117 13.965 0.010 5.315 1.00 0.00 C ATOM 1778 CG TYR A 117 13.274 -0.637 6.516 1.00 0.00 C ATOM 1779 CD1 TYR A 117 12.084 -0.122 6.989 1.00 0.00 C ATOM 1780 CD2 TYR A 117 13.840 -1.738 7.127 1.00 0.00 C ATOM 1781 CE1 TYR A 117 11.434 -0.732 8.120 1.00 0.00 C ATOM 1782 CE2 TYR A 117 13.190 -2.348 8.258 1.00 0.00 C ATOM 1783 CZ TYR A 117 12.019 -1.814 8.699 1.00 0.00 C ATOM 1784 OH TYR A 117 11.405 -2.390 9.767 1.00 0.00 O ATOM 0 H TYR A 117 11.837 1.817 4.994 1.00 0.00 H new ATOM 0 HA TYR A 117 13.508 0.184 3.177 1.00 0.00 H new ATOM 0 HB2 TYR A 117 14.760 -0.650 4.967 1.00 0.00 H new ATOM 0 HB3 TYR A 117 14.438 0.937 5.637 1.00 0.00 H new ATOM 0 HD1 TYR A 117 11.640 0.739 6.511 1.00 0.00 H new ATOM 0 HD2 TYR A 117 14.771 -2.142 6.757 1.00 0.00 H new ATOM 0 HE1 TYR A 117 10.503 -0.339 8.500 1.00 0.00 H new ATOM 0 HE2 TYR A 117 13.622 -3.210 8.745 1.00 0.00 H new ATOM 0 HH TYR A 117 11.936 -3.153 10.077 1.00 0.00 H new ATOM 1794 N MET A 118 12.014 -1.800 3.579 1.00 0.00 N ATOM 1795 CA MET A 118 10.967 -2.807 3.551 1.00 0.00 C ATOM 1796 C MET A 118 10.796 -3.458 4.925 1.00 0.00 C ATOM 1797 O MET A 118 11.776 -3.704 5.626 1.00 0.00 O ATOM 1798 CB MET A 118 11.318 -3.880 2.518 1.00 0.00 C ATOM 1799 CG MET A 118 11.191 -3.333 1.095 1.00 0.00 C ATOM 1800 SD MET A 118 11.813 -4.528 -0.076 1.00 0.00 S ATOM 1801 CE MET A 118 10.326 -5.466 -0.382 1.00 0.00 C ATOM 0 H MET A 118 12.870 -2.061 3.089 1.00 0.00 H new ATOM 0 HA MET A 118 10.029 -2.322 3.280 1.00 0.00 H new ATOM 0 HB2 MET A 118 12.335 -4.233 2.686 1.00 0.00 H new ATOM 0 HB3 MET A 118 10.658 -4.739 2.642 1.00 0.00 H new ATOM 0 HG2 MET A 118 10.148 -3.106 0.876 1.00 0.00 H new ATOM 0 HG3 MET A 118 11.747 -2.400 1.004 1.00 0.00 H new ATOM 0 HE1 MET A 118 10.538 -6.260 -1.098 1.00 0.00 H new ATOM 0 HE2 MET A 118 9.973 -5.904 0.552 1.00 0.00 H new ATOM 0 HE3 MET A 118 9.558 -4.808 -0.787 1.00 0.00 H new ATOM 1811 N LEU A 119 9.543 -3.718 5.269 1.00 0.00 N ATOM 1812 CA LEU A 119 9.230 -4.335 6.546 1.00 0.00 C ATOM 1813 C LEU A 119 8.639 -5.726 6.305 1.00 0.00 C ATOM 1814 O LEU A 119 8.493 -6.152 5.160 1.00 0.00 O ATOM 1815 CB LEU A 119 8.329 -3.420 7.377 1.00 0.00 C ATOM 1816 CG LEU A 119 8.474 -1.919 7.117 1.00 0.00 C ATOM 1817 CD1 LEU A 119 8.116 -1.576 5.670 1.00 0.00 C ATOM 1818 CD2 LEU A 119 7.652 -1.106 8.119 1.00 0.00 C ATOM 0 H LEU A 119 8.733 -3.512 4.685 1.00 0.00 H new ATOM 0 HA LEU A 119 10.137 -4.471 7.135 1.00 0.00 H new ATOM 0 HB2 LEU A 119 7.292 -3.702 7.195 1.00 0.00 H new ATOM 0 HB3 LEU A 119 8.529 -3.607 8.432 1.00 0.00 H new ATOM 0 HG LEU A 119 9.519 -1.647 7.263 1.00 0.00 H new ATOM 0 HD11 LEU A 119 8.227 -0.503 5.512 1.00 0.00 H new ATOM 0 HD12 LEU A 119 8.781 -2.113 4.994 1.00 0.00 H new ATOM 0 HD13 LEU A 119 7.084 -1.867 5.472 1.00 0.00 H new ATOM 0 HD21 LEU A 119 7.773 -0.043 7.911 1.00 0.00 H new ATOM 0 HD22 LEU A 119 6.600 -1.375 8.030 1.00 0.00 H new ATOM 0 HD23 LEU A 119 7.997 -1.320 9.131 1.00 0.00 H new ATOM 1830 N SER A 120 8.316 -6.395 7.402 1.00 0.00 N ATOM 1831 CA SER A 120 7.744 -7.728 7.324 1.00 0.00 C ATOM 1832 C SER A 120 6.331 -7.658 6.741 1.00 0.00 C ATOM 1833 O SER A 120 5.598 -6.703 6.993 1.00 0.00 O ATOM 1834 CB SER A 120 7.718 -8.398 8.699 1.00 0.00 C ATOM 1835 OG SER A 120 9.029 -8.700 9.170 1.00 0.00 O ATOM 0 H SER A 120 8.440 -6.039 8.350 1.00 0.00 H new ATOM 0 HA SER A 120 8.372 -8.331 6.668 1.00 0.00 H new ATOM 0 HB2 SER A 120 7.218 -7.743 9.412 1.00 0.00 H new ATOM 0 HB3 SER A 120 7.132 -9.315 8.644 1.00 0.00 H new ATOM 0 HG SER A 120 8.970 -9.125 10.051 1.00 0.00 H new ATOM 1841 N GLU A 121 5.990 -8.683 5.974 1.00 0.00 N ATOM 1842 CA GLU A 121 4.678 -8.750 5.353 1.00 0.00 C ATOM 1843 C GLU A 121 3.723 -9.573 6.220 1.00 0.00 C ATOM 1844 O GLU A 121 2.520 -9.608 5.963 1.00 0.00 O ATOM 1845 CB GLU A 121 4.769 -9.327 3.939 1.00 0.00 C ATOM 1846 CG GLU A 121 5.490 -8.359 2.998 1.00 0.00 C ATOM 1847 CD GLU A 121 5.287 -8.763 1.536 1.00 0.00 C ATOM 1848 OE1 GLU A 121 4.238 -8.371 0.979 1.00 0.00 O ATOM 1849 OE2 GLU A 121 6.185 -9.454 1.008 1.00 0.00 O ATOM 0 H GLU A 121 6.600 -9.474 5.768 1.00 0.00 H new ATOM 0 HA GLU A 121 4.284 -7.737 5.272 1.00 0.00 H new ATOM 0 HB2 GLU A 121 5.300 -10.279 3.964 1.00 0.00 H new ATOM 0 HB3 GLU A 121 3.767 -9.530 3.560 1.00 0.00 H new ATOM 0 HG2 GLU A 121 5.116 -7.347 3.155 1.00 0.00 H new ATOM 0 HG3 GLU A 121 6.555 -8.345 3.231 1.00 0.00 H new ATOM 1856 N GLU A 122 4.293 -10.214 7.229 1.00 0.00 N ATOM 1857 CA GLU A 122 3.507 -11.034 8.135 1.00 0.00 C ATOM 1858 C GLU A 122 2.675 -10.148 9.065 1.00 0.00 C ATOM 1859 O GLU A 122 1.494 -10.412 9.286 1.00 0.00 O ATOM 1860 CB GLU A 122 4.404 -11.980 8.936 1.00 0.00 C ATOM 1861 CG GLU A 122 4.827 -13.182 8.090 1.00 0.00 C ATOM 1862 CD GLU A 122 5.442 -14.278 8.963 1.00 0.00 C ATOM 1863 OE1 GLU A 122 4.662 -15.133 9.434 1.00 0.00 O ATOM 1864 OE2 GLU A 122 6.679 -14.236 9.139 1.00 0.00 O ATOM 0 H GLU A 122 5.291 -10.182 7.439 1.00 0.00 H new ATOM 0 HA GLU A 122 2.827 -11.646 7.543 1.00 0.00 H new ATOM 0 HB2 GLU A 122 5.288 -11.444 9.280 1.00 0.00 H new ATOM 0 HB3 GLU A 122 3.874 -12.324 9.824 1.00 0.00 H new ATOM 0 HG2 GLU A 122 3.963 -13.579 7.557 1.00 0.00 H new ATOM 0 HG3 GLU A 122 5.548 -12.865 7.336 1.00 0.00 H new ATOM 1871 N PRO A 123 3.341 -9.090 9.599 1.00 0.00 N ATOM 1872 CA PRO A 123 2.676 -8.164 10.500 1.00 0.00 C ATOM 1873 C PRO A 123 1.737 -7.231 9.733 1.00 0.00 C ATOM 1874 O PRO A 123 1.100 -6.361 10.325 1.00 0.00 O ATOM 1875 CB PRO A 123 3.801 -7.425 11.207 1.00 0.00 C ATOM 1876 CG PRO A 123 5.038 -7.630 10.347 1.00 0.00 C ATOM 1877 CD PRO A 123 4.740 -8.747 9.360 1.00 0.00 C ATOM 0 HA PRO A 123 2.034 -8.668 11.222 1.00 0.00 H new ATOM 0 HB2 PRO A 123 3.568 -6.365 11.310 1.00 0.00 H new ATOM 0 HB3 PRO A 123 3.955 -7.817 12.212 1.00 0.00 H new ATOM 0 HG2 PRO A 123 5.292 -6.711 9.818 1.00 0.00 H new ATOM 0 HG3 PRO A 123 5.896 -7.888 10.968 1.00 0.00 H new ATOM 0 HD2 PRO A 123 4.897 -8.420 8.332 1.00 0.00 H new ATOM 0 HD3 PRO A 123 5.392 -9.605 9.525 1.00 0.00 H new ATOM 1885 N TYR A 124 1.681 -7.444 8.426 1.00 0.00 N ATOM 1886 CA TYR A 124 0.831 -6.633 7.571 1.00 0.00 C ATOM 1887 C TYR A 124 0.039 -7.507 6.597 1.00 0.00 C ATOM 1888 O TYR A 124 -0.185 -7.119 5.451 1.00 0.00 O ATOM 1889 CB TYR A 124 1.774 -5.728 6.776 1.00 0.00 C ATOM 1890 CG TYR A 124 2.326 -4.547 7.577 1.00 0.00 C ATOM 1891 CD1 TYR A 124 1.598 -3.379 7.675 1.00 0.00 C ATOM 1892 CD2 TYR A 124 3.553 -4.650 8.201 1.00 0.00 C ATOM 1893 CE1 TYR A 124 2.118 -2.268 8.429 1.00 0.00 C ATOM 1894 CE2 TYR A 124 4.073 -3.539 8.954 1.00 0.00 C ATOM 1895 CZ TYR A 124 3.330 -2.402 9.031 1.00 0.00 C ATOM 1896 OH TYR A 124 3.821 -1.353 9.743 1.00 0.00 O ATOM 0 H TYR A 124 2.211 -8.167 7.939 1.00 0.00 H new ATOM 0 HA TYR A 124 0.114 -6.069 8.167 1.00 0.00 H new ATOM 0 HB2 TYR A 124 2.608 -6.325 6.407 1.00 0.00 H new ATOM 0 HB3 TYR A 124 1.244 -5.346 5.903 1.00 0.00 H new ATOM 0 HD1 TYR A 124 0.638 -3.298 7.186 1.00 0.00 H new ATOM 0 HD2 TYR A 124 4.123 -5.564 8.124 1.00 0.00 H new ATOM 0 HE1 TYR A 124 1.558 -1.349 8.515 1.00 0.00 H new ATOM 0 HE2 TYR A 124 5.032 -3.606 9.447 1.00 0.00 H new ATOM 0 HH TYR A 124 4.634 -1.017 9.311 1.00 0.00 H new ATOM 1906 N ILE A 125 -0.362 -8.670 7.088 1.00 0.00 N ATOM 1907 CA ILE A 125 -1.124 -9.603 6.274 1.00 0.00 C ATOM 1908 C ILE A 125 -2.589 -9.164 6.240 1.00 0.00 C ATOM 1909 O ILE A 125 -3.101 -8.620 7.218 1.00 0.00 O ATOM 1910 CB ILE A 125 -0.923 -11.036 6.772 1.00 0.00 C ATOM 1911 CG1 ILE A 125 0.555 -11.429 6.729 1.00 0.00 C ATOM 1912 CG2 ILE A 125 -1.799 -12.016 5.989 1.00 0.00 C ATOM 1913 CD1 ILE A 125 1.023 -11.648 5.289 1.00 0.00 C ATOM 0 H ILE A 125 -0.174 -8.988 8.039 1.00 0.00 H new ATOM 0 HA ILE A 125 -0.764 -9.594 5.245 1.00 0.00 H new ATOM 0 HB ILE A 125 -1.239 -11.083 7.814 1.00 0.00 H new ATOM 0 HG12 ILE A 125 1.156 -10.649 7.196 1.00 0.00 H new ATOM 0 HG13 ILE A 125 0.710 -12.340 7.308 1.00 0.00 H new ATOM 0 HG21 ILE A 125 -1.637 -13.027 6.363 1.00 0.00 H new ATOM 0 HG22 ILE A 125 -2.848 -11.746 6.114 1.00 0.00 H new ATOM 0 HG23 ILE A 125 -1.537 -11.974 4.932 1.00 0.00 H new ATOM 0 HD11 ILE A 125 2.077 -11.926 5.287 1.00 0.00 H new ATOM 0 HD12 ILE A 125 0.436 -12.446 4.833 1.00 0.00 H new ATOM 0 HD13 ILE A 125 0.890 -10.728 4.719 1.00 0.00 H new ATOM 1925 N HIS A 126 -3.223 -9.416 5.104 1.00 0.00 N ATOM 1926 CA HIS A 126 -4.619 -9.053 4.929 1.00 0.00 C ATOM 1927 C HIS A 126 -5.484 -10.315 4.959 1.00 0.00 C ATOM 1928 O HIS A 126 -5.435 -11.127 4.037 1.00 0.00 O ATOM 1929 CB HIS A 126 -4.811 -8.232 3.653 1.00 0.00 C ATOM 1930 CG HIS A 126 -6.103 -7.451 3.614 1.00 0.00 C ATOM 1931 ND1 HIS A 126 -6.221 -6.170 4.123 1.00 0.00 N ATOM 1932 CD2 HIS A 126 -7.331 -7.784 3.121 1.00 0.00 C ATOM 1933 CE1 HIS A 126 -7.467 -5.760 3.940 1.00 0.00 C ATOM 1934 NE2 HIS A 126 -8.154 -6.762 3.320 1.00 0.00 N ATOM 0 H HIS A 126 -2.795 -9.867 4.295 1.00 0.00 H new ATOM 0 HA HIS A 126 -4.939 -8.415 5.753 1.00 0.00 H new ATOM 0 HB2 HIS A 126 -3.976 -7.539 3.550 1.00 0.00 H new ATOM 0 HB3 HIS A 126 -4.777 -8.902 2.794 1.00 0.00 H new ATOM 0 HD2 HIS A 126 -7.589 -8.720 2.649 1.00 0.00 H new ATOM 0 HE1 HIS A 126 -7.869 -4.801 4.231 1.00 0.00 H new ATOM 0 HE2 HIS A 126 -9.138 -6.731 3.053 1.00 0.00 H new ATOM 1942 N SER A 127 -6.257 -10.439 6.028 1.00 0.00 N ATOM 1943 CA SER A 127 -7.132 -11.587 6.190 1.00 0.00 C ATOM 1944 C SER A 127 -8.595 -11.144 6.123 1.00 0.00 C ATOM 1945 O SER A 127 -8.890 -9.952 6.190 1.00 0.00 O ATOM 1946 CB SER A 127 -6.855 -12.309 7.510 1.00 0.00 C ATOM 1947 OG SER A 127 -5.903 -13.357 7.357 1.00 0.00 O ATOM 0 H SER A 127 -6.295 -9.763 6.791 1.00 0.00 H new ATOM 0 HA SER A 127 -6.934 -12.286 5.377 1.00 0.00 H new ATOM 0 HB2 SER A 127 -6.489 -11.592 8.245 1.00 0.00 H new ATOM 0 HB3 SER A 127 -7.786 -12.720 7.901 1.00 0.00 H new ATOM 0 HG SER A 127 -5.753 -13.791 8.222 1.00 0.00 H new ATOM 1953 N GLY A 128 -9.472 -12.128 5.991 1.00 0.00 N ATOM 1954 CA GLY A 128 -10.897 -11.855 5.914 1.00 0.00 C ATOM 1955 C GLY A 128 -11.690 -12.823 6.794 1.00 0.00 C ATOM 1956 O GLY A 128 -11.369 -14.008 6.864 1.00 0.00 O ATOM 0 H GLY A 128 -9.223 -13.116 5.935 1.00 0.00 H new ATOM 0 HA2 GLY A 128 -11.092 -10.830 6.228 1.00 0.00 H new ATOM 0 HA3 GLY A 128 -11.232 -11.941 4.880 1.00 0.00 H new ATOM 1960 N PRO A 129 -12.737 -12.268 7.462 1.00 0.00 N ATOM 1961 CA PRO A 129 -13.577 -13.069 8.334 1.00 0.00 C ATOM 1962 C PRO A 129 -14.521 -13.958 7.522 1.00 0.00 C ATOM 1963 O PRO A 129 -14.677 -13.766 6.317 1.00 0.00 O ATOM 1964 CB PRO A 129 -14.311 -12.063 9.206 1.00 0.00 C ATOM 1965 CG PRO A 129 -14.208 -10.731 8.481 1.00 0.00 C ATOM 1966 CD PRO A 129 -13.146 -10.868 7.403 1.00 0.00 C ATOM 0 HA PRO A 129 -13.004 -13.764 8.947 1.00 0.00 H new ATOM 0 HB2 PRO A 129 -15.353 -12.353 9.345 1.00 0.00 H new ATOM 0 HB3 PRO A 129 -13.862 -12.004 10.197 1.00 0.00 H new ATOM 0 HG2 PRO A 129 -15.167 -10.462 8.040 1.00 0.00 H new ATOM 0 HG3 PRO A 129 -13.944 -9.936 9.178 1.00 0.00 H new ATOM 0 HD2 PRO A 129 -13.543 -10.613 6.421 1.00 0.00 H new ATOM 0 HD3 PRO A 129 -12.304 -10.201 7.589 1.00 0.00 H new ATOM 1974 N SER A 130 -15.127 -14.911 8.214 1.00 0.00 N ATOM 1975 CA SER A 130 -16.052 -15.830 7.572 1.00 0.00 C ATOM 1976 C SER A 130 -16.647 -16.784 8.610 1.00 0.00 C ATOM 1977 O SER A 130 -16.055 -17.007 9.665 1.00 0.00 O ATOM 1978 CB SER A 130 -15.360 -16.620 6.460 1.00 0.00 C ATOM 1979 OG SER A 130 -15.927 -16.349 5.181 1.00 0.00 O ATOM 0 H SER A 130 -14.996 -15.067 9.213 1.00 0.00 H new ATOM 0 HA SER A 130 -16.855 -15.247 7.121 1.00 0.00 H new ATOM 0 HB2 SER A 130 -14.299 -16.373 6.446 1.00 0.00 H new ATOM 0 HB3 SER A 130 -15.436 -17.687 6.672 1.00 0.00 H new ATOM 0 HG SER A 130 -15.457 -16.871 4.498 1.00 0.00 H new ATOM 1985 N SER A 131 -17.811 -17.322 8.274 1.00 0.00 N ATOM 1986 CA SER A 131 -18.492 -18.247 9.164 1.00 0.00 C ATOM 1987 C SER A 131 -18.208 -19.688 8.737 1.00 0.00 C ATOM 1988 O SER A 131 -18.742 -20.159 7.734 1.00 0.00 O ATOM 1989 CB SER A 131 -19.999 -17.985 9.180 1.00 0.00 C ATOM 1990 OG SER A 131 -20.573 -18.088 7.879 1.00 0.00 O ATOM 0 H SER A 131 -18.299 -17.135 7.398 1.00 0.00 H new ATOM 0 HA SER A 131 -18.113 -18.093 10.174 1.00 0.00 H new ATOM 0 HB2 SER A 131 -20.484 -18.697 9.848 1.00 0.00 H new ATOM 0 HB3 SER A 131 -20.190 -16.990 9.583 1.00 0.00 H new ATOM 0 HG SER A 131 -20.169 -18.842 7.402 1.00 0.00 H new ATOM 1996 N GLY A 132 -17.367 -20.348 9.520 1.00 0.00 N ATOM 1997 CA GLY A 132 -17.006 -21.727 9.236 1.00 0.00 C ATOM 1998 C GLY A 132 -15.487 -21.913 9.268 1.00 0.00 C ATOM 1999 O GLY A 132 -14.740 -21.020 8.871 1.00 0.00 O ATOM 0 H GLY A 132 -16.925 -19.954 10.351 1.00 0.00 H new ATOM 0 HA2 GLY A 132 -17.472 -22.387 9.967 1.00 0.00 H new ATOM 0 HA3 GLY A 132 -17.391 -22.013 8.257 1.00 0.00 H new TER 2003 GLY A 132