USER MOD reduce.3.24.130724 H: found=0, std=0, add=1075, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 1071 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 Single : A 1 MET CE :methyl -176:sc= 0 (180deg=-0.018) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 HIS : no HD1:sc= -0.238 X(o=-0.24,f=-0.22) USER MOD Single : A 11 GLN : amide:sc= 0.156 X(o=0.16,f=-0.0013) USER MOD Single : A 12 ASN : amide:sc= -0.877 K(o=-0.88,f=-1.7) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 GLN : amide:sc= 0.973 K(o=0.97,f=-6.4!) USER MOD Single : A 26 SER OG : rot -41:sc= 0.0404 USER MOD Single : A 28 LYS NZ :NH3+ -144:sc= 1.25 (180deg=0.666) USER MOD Single : A 33 ASN : amide:sc= -0.177 K(o=-0.18,f=-0.9) USER MOD Single : A 38 ASN : amide:sc= -0.177 K(o=-0.18,f=-2) USER MOD Single : A 39 CYS SG : rot 16:sc= 0.32 USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 CYS SG : rot 180:sc= -0.699 USER MOD Single : A 45 ASN : amide:sc= -0.232 K(o=-0.23,f=-3.5!) USER MOD Single : A 49 CYS SG : rot 22:sc= 1.1 USER MOD Single : A 52 CYS SG : rot 68:sc= 0.0429 USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 60 MET CE :methyl -171:sc= 0 (180deg=-0.0713) USER MOD Single : A 61 GLN : amide:sc= -0.0762 X(o=-0.076,f=-0.1) USER MOD Single : A 64 CYS SG : rot 180:sc= -0.839 USER MOD Single : A 65 THR OG1 : rot 180:sc= 0.00117 USER MOD Single : A 66 CYS SG : rot 147:sc= 0.394 USER MOD Single : A 70 HIS : no HE2:sc= -1.86 K(o=-1.9,f=-2.9) USER MOD Single : A 74 THR OG1 : rot -82:sc= 1.71 USER MOD Single : A 75 GLN : amide:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 81 GLN : amide:sc= 0.466 K(o=0.47,f=-0.075) USER MOD Single : A 84 GLN : amide:sc= 0 X(o=0,f=-0.4) USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00595) USER MOD Single : A 104 SER OG : rot 180:sc= 0.255 USER MOD Single : A 105 CYS SG : rot 160:sc= -0.333 USER MOD Single : A 108 CYS SG : rot -37:sc= -0.201 USER MOD Single : A 116 LYS NZ :NH3+ -120:sc= 0.392 (180deg=0) USER MOD Single : A 117 ASN : amide:sc= -0.407 K(o=-0.41,f=-11!) USER MOD Single : A 124 MET CE :methyl -122:sc= 0 (180deg=-0.115) USER MOD Single : A 128 ASN :FLIP amide:sc= -0.136 F(o=-1,f=-0.14) USER MOD Single : A 133 MET CE :methyl 175:sc= 0 (180deg=-0.0307) USER MOD Single : A 135 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -3.286 2.765 -39.312 1.00 0.00 N ATOM 2 CA MET A 1 -2.678 3.692 -40.315 1.00 0.00 C ATOM 3 C MET A 1 -1.147 3.513 -40.359 1.00 0.00 C ATOM 4 O MET A 1 -0.520 3.545 -39.296 1.00 0.00 O ATOM 5 CB MET A 1 -3.069 5.161 -40.018 1.00 0.00 C ATOM 6 CG MET A 1 -2.640 6.152 -41.115 1.00 0.00 C ATOM 7 SD MET A 1 -3.011 7.899 -40.771 1.00 0.00 S ATOM 8 CE MET A 1 -4.823 7.907 -40.893 1.00 0.00 C ATOM 0 H1 MET A 1 -4.317 2.899 -39.296 1.00 0.00 H new ATOM 0 H2 MET A 1 -3.069 1.782 -39.572 1.00 0.00 H new ATOM 0 H3 MET A 1 -2.896 2.968 -38.370 1.00 0.00 H new ATOM 0 HA MET A 1 -3.072 3.441 -41.300 1.00 0.00 H new ATOM 0 HB2 MET A 1 -4.150 5.221 -39.890 1.00 0.00 H new ATOM 0 HB3 MET A 1 -2.619 5.463 -39.072 1.00 0.00 H new ATOM 0 HG2 MET A 1 -1.567 6.050 -41.274 1.00 0.00 H new ATOM 0 HG3 MET A 1 -3.129 5.870 -42.048 1.00 0.00 H new ATOM 0 HE1 MET A 1 -5.191 8.926 -40.776 1.00 0.00 H new ATOM 0 HE2 MET A 1 -5.124 7.522 -41.867 1.00 0.00 H new ATOM 0 HE3 MET A 1 -5.243 7.277 -40.109 1.00 0.00 H new ATOM 18 N PRO A 2 -0.530 3.326 -41.550 1.00 0.00 N ATOM 19 CA PRO A 2 0.919 3.168 -41.695 1.00 0.00 C ATOM 20 C PRO A 2 1.659 4.509 -41.554 1.00 0.00 C ATOM 21 O PRO A 2 1.096 5.570 -41.822 1.00 0.00 O ATOM 22 CB PRO A 2 1.122 2.559 -43.087 1.00 0.00 C ATOM 23 CG PRO A 2 -0.044 3.136 -43.887 1.00 0.00 C ATOM 24 CD PRO A 2 -1.174 3.195 -42.858 1.00 0.00 C ATOM 0 HA PRO A 2 1.330 2.532 -40.911 1.00 0.00 H new ATOM 0 HB2 PRO A 2 2.084 2.841 -43.515 1.00 0.00 H new ATOM 0 HB3 PRO A 2 1.093 1.470 -43.059 1.00 0.00 H new ATOM 0 HG2 PRO A 2 0.190 4.123 -44.286 1.00 0.00 H new ATOM 0 HG3 PRO A 2 -0.304 2.503 -44.735 1.00 0.00 H new ATOM 0 HD2 PRO A 2 -1.834 4.040 -43.053 1.00 0.00 H new ATOM 0 HD3 PRO A 2 -1.787 2.295 -42.901 1.00 0.00 H new ATOM 32 N VAL A 3 2.938 4.451 -41.162 1.00 0.00 N ATOM 33 CA VAL A 3 3.843 5.613 -41.027 1.00 0.00 C ATOM 34 C VAL A 3 5.244 5.221 -41.516 1.00 0.00 C ATOM 35 O VAL A 3 5.746 4.152 -41.161 1.00 0.00 O ATOM 36 CB VAL A 3 3.912 6.130 -39.564 1.00 0.00 C ATOM 37 CG1 VAL A 3 4.843 7.352 -39.433 1.00 0.00 C ATOM 38 CG2 VAL A 3 2.532 6.530 -39.012 1.00 0.00 C ATOM 0 H VAL A 3 3.391 3.570 -40.921 1.00 0.00 H new ATOM 0 HA VAL A 3 3.447 6.425 -41.637 1.00 0.00 H new ATOM 0 HB VAL A 3 4.304 5.294 -38.985 1.00 0.00 H new ATOM 0 HG11 VAL A 3 4.864 7.684 -38.395 1.00 0.00 H new ATOM 0 HG12 VAL A 3 5.850 7.077 -39.747 1.00 0.00 H new ATOM 0 HG13 VAL A 3 4.474 8.160 -40.065 1.00 0.00 H new ATOM 0 HG21 VAL A 3 2.639 6.884 -37.987 1.00 0.00 H new ATOM 0 HG22 VAL A 3 2.110 7.324 -39.628 1.00 0.00 H new ATOM 0 HG23 VAL A 3 1.868 5.666 -39.030 1.00 0.00 H new ATOM 48 N ARG A 4 5.869 6.091 -42.320 1.00 0.00 N ATOM 49 CA ARG A 4 7.193 5.889 -42.938 1.00 0.00 C ATOM 50 C ARG A 4 7.803 7.200 -43.472 1.00 0.00 C ATOM 51 O ARG A 4 7.101 8.203 -43.620 1.00 0.00 O ATOM 52 CB ARG A 4 7.117 4.804 -44.040 1.00 0.00 C ATOM 53 CG ARG A 4 6.186 5.166 -45.214 1.00 0.00 C ATOM 54 CD ARG A 4 6.228 4.085 -46.301 1.00 0.00 C ATOM 55 NE ARG A 4 5.398 4.463 -47.459 1.00 0.00 N ATOM 56 CZ ARG A 4 5.235 3.759 -48.574 1.00 0.00 C ATOM 57 NH1 ARG A 4 5.826 2.596 -48.761 1.00 0.00 N ATOM 58 NH2 ARG A 4 4.460 4.222 -49.531 1.00 0.00 N ATOM 0 H ARG A 4 5.454 6.989 -42.569 1.00 0.00 H new ATOM 0 HA ARG A 4 7.867 5.538 -42.156 1.00 0.00 H new ATOM 0 HB2 ARG A 4 8.120 4.624 -44.427 1.00 0.00 H new ATOM 0 HB3 ARG A 4 6.775 3.870 -43.593 1.00 0.00 H new ATOM 0 HG2 ARG A 4 5.165 5.282 -44.851 1.00 0.00 H new ATOM 0 HG3 ARG A 4 6.485 6.125 -45.638 1.00 0.00 H new ATOM 0 HD2 ARG A 4 7.258 3.929 -46.623 1.00 0.00 H new ATOM 0 HD3 ARG A 4 5.876 3.139 -45.891 1.00 0.00 H new ATOM 0 HE ARG A 4 4.900 5.351 -47.398 1.00 0.00 H new ATOM 0 HH11 ARG A 4 6.431 2.209 -48.037 1.00 0.00 H new ATOM 0 HH12 ARG A 4 5.678 2.083 -49.630 1.00 0.00 H new ATOM 0 HH21 ARG A 4 3.987 5.118 -49.415 1.00 0.00 H new ATOM 0 HH22 ARG A 4 4.332 3.685 -50.389 1.00 0.00 H new ATOM 72 N ARG A 5 9.109 7.174 -43.785 1.00 0.00 N ATOM 73 CA ARG A 5 9.859 8.221 -44.518 1.00 0.00 C ATOM 74 C ARG A 5 9.978 9.559 -43.749 1.00 0.00 C ATOM 75 O ARG A 5 10.108 10.626 -44.358 1.00 0.00 O ATOM 76 CB ARG A 5 9.299 8.404 -45.950 1.00 0.00 C ATOM 77 CG ARG A 5 9.364 7.114 -46.786 1.00 0.00 C ATOM 78 CD ARG A 5 8.741 7.326 -48.170 1.00 0.00 C ATOM 79 NE ARG A 5 8.783 6.087 -48.969 1.00 0.00 N ATOM 80 CZ ARG A 5 8.227 5.901 -50.163 1.00 0.00 C ATOM 81 NH1 ARG A 5 7.542 6.849 -50.770 1.00 0.00 N ATOM 82 NH2 ARG A 5 8.358 4.742 -50.770 1.00 0.00 N ATOM 0 H ARG A 5 9.704 6.387 -43.524 1.00 0.00 H new ATOM 0 HA ARG A 5 10.885 7.863 -44.604 1.00 0.00 H new ATOM 0 HB2 ARG A 5 8.264 8.741 -45.890 1.00 0.00 H new ATOM 0 HB3 ARG A 5 9.861 9.189 -46.457 1.00 0.00 H new ATOM 0 HG2 ARG A 5 10.402 6.798 -46.895 1.00 0.00 H new ATOM 0 HG3 ARG A 5 8.840 6.312 -46.266 1.00 0.00 H new ATOM 0 HD2 ARG A 5 7.708 7.656 -48.060 1.00 0.00 H new ATOM 0 HD3 ARG A 5 9.275 8.118 -48.695 1.00 0.00 H new ATOM 0 HE ARG A 5 9.287 5.296 -48.567 1.00 0.00 H new ATOM 0 HH11 ARG A 5 7.425 7.759 -50.324 1.00 0.00 H new ATOM 0 HH12 ARG A 5 7.129 6.673 -51.686 1.00 0.00 H new ATOM 0 HH21 ARG A 5 8.884 3.990 -50.325 1.00 0.00 H new ATOM 0 HH22 ARG A 5 7.933 4.595 -51.686 1.00 0.00 H new ATOM 96 N GLY A 6 9.920 9.517 -42.410 1.00 0.00 N ATOM 97 CA GLY A 6 10.012 10.677 -41.509 1.00 0.00 C ATOM 98 C GLY A 6 10.831 10.408 -40.244 1.00 0.00 C ATOM 99 O GLY A 6 11.149 9.263 -39.919 1.00 0.00 O ATOM 0 H GLY A 6 9.803 8.639 -41.904 1.00 0.00 H new ATOM 0 HA2 GLY A 6 10.458 11.512 -42.050 1.00 0.00 H new ATOM 0 HA3 GLY A 6 9.006 10.984 -41.222 1.00 0.00 H new ATOM 103 N HIS A 7 11.156 11.478 -39.523 1.00 0.00 N ATOM 104 CA HIS A 7 11.813 11.439 -38.208 1.00 0.00 C ATOM 105 C HIS A 7 10.815 11.143 -37.055 1.00 0.00 C ATOM 106 O HIS A 7 9.598 11.113 -37.268 1.00 0.00 O ATOM 107 CB HIS A 7 12.588 12.761 -38.015 1.00 0.00 C ATOM 108 CG HIS A 7 11.763 14.019 -38.170 1.00 0.00 C ATOM 109 ND1 HIS A 7 11.844 14.919 -39.210 1.00 0.00 N ATOM 110 CD2 HIS A 7 10.814 14.494 -37.303 1.00 0.00 C ATOM 111 CE1 HIS A 7 10.962 15.906 -38.978 1.00 0.00 C ATOM 112 NE2 HIS A 7 10.304 15.693 -37.822 1.00 0.00 N ATOM 0 H HIS A 7 10.966 12.428 -39.843 1.00 0.00 H new ATOM 0 HA HIS A 7 12.518 10.608 -38.176 1.00 0.00 H new ATOM 0 HB2 HIS A 7 13.036 12.759 -37.021 1.00 0.00 H new ATOM 0 HB3 HIS A 7 13.407 12.792 -38.734 1.00 0.00 H new ATOM 0 HD2 HIS A 7 10.511 14.025 -36.378 1.00 0.00 H new ATOM 0 HE1 HIS A 7 10.803 16.753 -39.629 1.00 0.00 H new ATOM 0 HE2 HIS A 7 9.582 16.283 -37.409 1.00 0.00 H new ATOM 120 N VAL A 8 11.317 10.924 -35.827 1.00 0.00 N ATOM 121 CA VAL A 8 10.499 10.555 -34.647 1.00 0.00 C ATOM 122 C VAL A 8 9.395 11.585 -34.345 1.00 0.00 C ATOM 123 O VAL A 8 9.650 12.786 -34.251 1.00 0.00 O ATOM 124 CB VAL A 8 11.371 10.263 -33.397 1.00 0.00 C ATOM 125 CG1 VAL A 8 12.137 11.482 -32.851 1.00 0.00 C ATOM 126 CG2 VAL A 8 10.549 9.624 -32.267 1.00 0.00 C ATOM 0 H VAL A 8 12.313 10.998 -35.619 1.00 0.00 H new ATOM 0 HA VAL A 8 9.994 9.625 -34.909 1.00 0.00 H new ATOM 0 HB VAL A 8 12.121 9.557 -33.753 1.00 0.00 H new ATOM 0 HG11 VAL A 8 12.719 11.185 -31.979 1.00 0.00 H new ATOM 0 HG12 VAL A 8 12.807 11.865 -33.621 1.00 0.00 H new ATOM 0 HG13 VAL A 8 11.428 12.260 -32.567 1.00 0.00 H new ATOM 0 HG21 VAL A 8 11.195 9.435 -31.410 1.00 0.00 H new ATOM 0 HG22 VAL A 8 9.746 10.300 -31.974 1.00 0.00 H new ATOM 0 HG23 VAL A 8 10.122 8.683 -32.615 1.00 0.00 H new ATOM 136 N ALA A 9 8.160 11.097 -34.192 1.00 0.00 N ATOM 137 CA ALA A 9 6.977 11.900 -33.877 1.00 0.00 C ATOM 138 C ALA A 9 6.783 12.072 -32.349 1.00 0.00 C ATOM 139 O ALA A 9 7.171 11.176 -31.586 1.00 0.00 O ATOM 140 CB ALA A 9 5.762 11.220 -34.528 1.00 0.00 C ATOM 0 H ALA A 9 7.951 10.103 -34.287 1.00 0.00 H new ATOM 0 HA ALA A 9 7.100 12.907 -34.275 1.00 0.00 H new ATOM 0 HB1 ALA A 9 4.863 11.796 -34.311 1.00 0.00 H new ATOM 0 HB2 ALA A 9 5.908 11.169 -35.607 1.00 0.00 H new ATOM 0 HB3 ALA A 9 5.652 10.212 -34.129 1.00 0.00 H new ATOM 146 N PRO A 10 6.152 13.175 -31.887 1.00 0.00 N ATOM 147 CA PRO A 10 5.811 13.364 -30.480 1.00 0.00 C ATOM 148 C PRO A 10 4.804 12.297 -30.035 1.00 0.00 C ATOM 149 O PRO A 10 3.835 12.008 -30.741 1.00 0.00 O ATOM 150 CB PRO A 10 5.249 14.786 -30.369 1.00 0.00 C ATOM 151 CG PRO A 10 4.704 15.068 -31.768 1.00 0.00 C ATOM 152 CD PRO A 10 5.667 14.304 -32.676 1.00 0.00 C ATOM 0 HA PRO A 10 6.674 13.252 -29.823 1.00 0.00 H new ATOM 0 HB2 PRO A 10 4.466 14.850 -29.613 1.00 0.00 H new ATOM 0 HB3 PRO A 10 6.022 15.502 -30.088 1.00 0.00 H new ATOM 0 HG2 PRO A 10 3.679 14.715 -31.880 1.00 0.00 H new ATOM 0 HG3 PRO A 10 4.700 16.135 -31.992 1.00 0.00 H new ATOM 0 HD2 PRO A 10 5.163 13.961 -33.579 1.00 0.00 H new ATOM 0 HD3 PRO A 10 6.492 14.941 -32.994 1.00 0.00 H new ATOM 160 N GLN A 11 5.048 11.698 -28.865 1.00 0.00 N ATOM 161 CA GLN A 11 4.216 10.620 -28.321 1.00 0.00 C ATOM 162 C GLN A 11 2.885 11.172 -27.813 1.00 0.00 C ATOM 163 O GLN A 11 1.811 10.866 -28.335 1.00 0.00 O ATOM 164 CB GLN A 11 4.937 9.908 -27.162 1.00 0.00 C ATOM 165 CG GLN A 11 6.181 9.099 -27.582 1.00 0.00 C ATOM 166 CD GLN A 11 7.472 9.927 -27.615 1.00 0.00 C ATOM 167 OE1 GLN A 11 8.115 10.156 -26.596 1.00 0.00 O ATOM 168 NE2 GLN A 11 7.909 10.424 -28.757 1.00 0.00 N ATOM 0 H GLN A 11 5.834 11.949 -28.265 1.00 0.00 H new ATOM 0 HA GLN A 11 4.031 9.907 -29.124 1.00 0.00 H new ATOM 0 HB2 GLN A 11 5.236 10.653 -26.425 1.00 0.00 H new ATOM 0 HB3 GLN A 11 4.232 9.237 -26.670 1.00 0.00 H new ATOM 0 HG2 GLN A 11 6.312 8.266 -26.892 1.00 0.00 H new ATOM 0 HG3 GLN A 11 6.009 8.671 -28.570 1.00 0.00 H new ATOM 0 HE21 GLN A 11 7.394 10.249 -29.620 1.00 0.00 H new ATOM 0 HE22 GLN A 11 8.762 10.983 -28.777 1.00 0.00 H new ATOM 177 N ASN A 12 2.986 11.976 -26.758 1.00 0.00 N ATOM 178 CA ASN A 12 1.904 12.509 -25.966 1.00 0.00 C ATOM 179 C ASN A 12 2.249 13.912 -25.432 1.00 0.00 C ATOM 180 O ASN A 12 3.386 14.394 -25.507 1.00 0.00 O ATOM 181 CB ASN A 12 1.604 11.503 -24.841 1.00 0.00 C ATOM 182 CG ASN A 12 2.753 11.257 -23.856 1.00 0.00 C ATOM 183 OD1 ASN A 12 3.844 11.803 -23.943 1.00 0.00 O ATOM 184 ND2 ASN A 12 2.529 10.409 -22.874 1.00 0.00 N ATOM 0 H ASN A 12 3.895 12.289 -26.418 1.00 0.00 H new ATOM 0 HA ASN A 12 1.009 12.638 -26.574 1.00 0.00 H new ATOM 0 HB2 ASN A 12 0.738 11.857 -24.282 1.00 0.00 H new ATOM 0 HB3 ASN A 12 1.325 10.551 -25.293 1.00 0.00 H new ATOM 0 HD21 ASN A 12 3.262 10.212 -22.193 1.00 0.00 H new ATOM 0 HD22 ASN A 12 1.622 9.949 -22.794 1.00 0.00 H new ATOM 191 N THR A 13 1.213 14.562 -24.907 1.00 0.00 N ATOM 192 CA THR A 13 1.198 15.980 -24.496 1.00 0.00 C ATOM 193 C THR A 13 0.423 16.202 -23.200 1.00 0.00 C ATOM 194 O THR A 13 0.972 16.780 -22.265 1.00 0.00 O ATOM 195 CB THR A 13 0.632 16.862 -25.620 1.00 0.00 C ATOM 196 OG1 THR A 13 -0.629 16.363 -26.026 1.00 0.00 O ATOM 197 CG2 THR A 13 1.560 16.864 -26.837 1.00 0.00 C ATOM 0 H THR A 13 0.317 14.102 -24.746 1.00 0.00 H new ATOM 0 HA THR A 13 2.232 16.268 -24.304 1.00 0.00 H new ATOM 0 HB THR A 13 0.540 17.878 -25.235 1.00 0.00 H new ATOM 0 HG1 THR A 13 -0.989 16.928 -26.742 1.00 0.00 H new ATOM 0 HG21 THR A 13 1.135 17.496 -27.617 1.00 0.00 H new ATOM 0 HG22 THR A 13 2.537 17.251 -26.549 1.00 0.00 H new ATOM 0 HG23 THR A 13 1.669 15.847 -27.213 1.00 0.00 H new ATOM 205 N PHE A 14 -0.819 15.712 -23.116 1.00 0.00 N ATOM 206 CA PHE A 14 -1.655 15.816 -21.914 1.00 0.00 C ATOM 207 C PHE A 14 -1.282 14.756 -20.873 1.00 0.00 C ATOM 208 O PHE A 14 -1.067 15.069 -19.704 1.00 0.00 O ATOM 209 CB PHE A 14 -3.126 15.684 -22.322 1.00 0.00 C ATOM 210 CG PHE A 14 -4.087 16.186 -21.261 1.00 0.00 C ATOM 211 CD1 PHE A 14 -4.478 17.539 -21.251 1.00 0.00 C ATOM 212 CD2 PHE A 14 -4.566 15.314 -20.264 1.00 0.00 C ATOM 213 CE1 PHE A 14 -5.347 18.016 -20.254 1.00 0.00 C ATOM 214 CE2 PHE A 14 -5.433 15.793 -19.265 1.00 0.00 C ATOM 215 CZ PHE A 14 -5.823 17.143 -19.259 1.00 0.00 C ATOM 0 H PHE A 14 -1.277 15.227 -23.888 1.00 0.00 H new ATOM 0 HA PHE A 14 -1.487 16.788 -21.450 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -3.292 16.239 -23.245 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -3.345 14.638 -22.536 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -4.109 18.212 -22.011 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -4.267 14.276 -20.266 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -5.649 19.053 -20.252 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -5.799 15.122 -18.502 1.00 0.00 H new ATOM 0 HZ PHE A 14 -6.488 17.510 -18.491 1.00 0.00 H new ATOM 225 N LEU A 15 -1.156 13.498 -21.314 1.00 0.00 N ATOM 226 CA LEU A 15 -0.752 12.363 -20.479 1.00 0.00 C ATOM 227 C LEU A 15 0.659 12.564 -19.909 1.00 0.00 C ATOM 228 O LEU A 15 0.918 12.198 -18.767 1.00 0.00 O ATOM 229 CB LEU A 15 -0.878 11.078 -21.320 1.00 0.00 C ATOM 230 CG LEU A 15 -0.393 9.807 -20.597 1.00 0.00 C ATOM 231 CD1 LEU A 15 -1.244 9.468 -19.365 1.00 0.00 C ATOM 232 CD2 LEU A 15 -0.422 8.612 -21.561 1.00 0.00 C ATOM 0 H LEU A 15 -1.336 13.237 -22.283 1.00 0.00 H new ATOM 0 HA LEU A 15 -1.407 12.280 -19.612 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -1.921 10.945 -21.607 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -0.307 11.201 -22.240 1.00 0.00 H new ATOM 0 HG LEU A 15 0.624 10.006 -20.260 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -0.858 8.564 -18.894 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -1.201 10.294 -18.655 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -2.278 9.305 -19.670 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -0.078 7.717 -21.042 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -1.441 8.456 -21.916 1.00 0.00 H new ATOM 0 HD23 LEU A 15 0.232 8.813 -22.410 1.00 0.00 H new ATOM 244 N ASP A 16 1.545 13.221 -20.659 1.00 0.00 N ATOM 245 CA ASP A 16 2.894 13.599 -20.212 1.00 0.00 C ATOM 246 C ASP A 16 2.895 14.428 -18.911 1.00 0.00 C ATOM 247 O ASP A 16 3.794 14.290 -18.077 1.00 0.00 O ATOM 248 CB ASP A 16 3.550 14.405 -21.337 1.00 0.00 C ATOM 249 CG ASP A 16 5.061 14.585 -21.111 1.00 0.00 C ATOM 250 OD1 ASP A 16 5.801 13.573 -21.123 1.00 0.00 O ATOM 251 OD2 ASP A 16 5.506 15.744 -20.927 1.00 0.00 O ATOM 0 H ASP A 16 1.344 13.513 -21.615 1.00 0.00 H new ATOM 0 HA ASP A 16 3.447 12.686 -19.991 1.00 0.00 H new ATOM 0 HB2 ASP A 16 3.383 13.901 -22.289 1.00 0.00 H new ATOM 0 HB3 ASP A 16 3.075 15.383 -21.407 1.00 0.00 H new ATOM 256 N THR A 17 1.847 15.244 -18.724 1.00 0.00 N ATOM 257 CA THR A 17 1.612 16.073 -17.528 1.00 0.00 C ATOM 258 C THR A 17 1.098 15.233 -16.361 1.00 0.00 C ATOM 259 O THR A 17 1.309 15.595 -15.208 1.00 0.00 O ATOM 260 CB THR A 17 0.617 17.202 -17.855 1.00 0.00 C ATOM 261 OG1 THR A 17 1.054 17.906 -19.001 1.00 0.00 O ATOM 262 CG2 THR A 17 0.449 18.222 -16.726 1.00 0.00 C ATOM 0 H THR A 17 1.113 15.350 -19.424 1.00 0.00 H new ATOM 0 HA THR A 17 2.564 16.512 -17.228 1.00 0.00 H new ATOM 0 HB THR A 17 -0.344 16.712 -18.014 1.00 0.00 H new ATOM 0 HG1 THR A 17 0.418 18.622 -19.207 1.00 0.00 H new ATOM 0 HG21 THR A 17 -0.267 18.986 -17.030 1.00 0.00 H new ATOM 0 HG22 THR A 17 0.084 17.718 -15.831 1.00 0.00 H new ATOM 0 HG23 THR A 17 1.410 18.690 -16.512 1.00 0.00 H new ATOM 270 N ILE A 18 0.465 14.091 -16.635 1.00 0.00 N ATOM 271 CA ILE A 18 0.002 13.139 -15.612 1.00 0.00 C ATOM 272 C ILE A 18 1.152 12.237 -15.159 1.00 0.00 C ATOM 273 O ILE A 18 1.337 12.032 -13.964 1.00 0.00 O ATOM 274 CB ILE A 18 -1.197 12.315 -16.137 1.00 0.00 C ATOM 275 CG1 ILE A 18 -2.253 13.176 -16.866 1.00 0.00 C ATOM 276 CG2 ILE A 18 -1.847 11.514 -14.995 1.00 0.00 C ATOM 277 CD1 ILE A 18 -2.821 14.354 -16.063 1.00 0.00 C ATOM 0 H ILE A 18 0.254 13.793 -17.587 1.00 0.00 H new ATOM 0 HA ILE A 18 -0.341 13.699 -14.742 1.00 0.00 H new ATOM 0 HB ILE A 18 -0.796 11.623 -16.878 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -1.808 13.565 -17.782 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -3.080 12.530 -17.163 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -2.688 10.941 -15.385 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -1.113 10.833 -14.565 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -2.201 12.200 -14.225 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -3.552 14.889 -16.669 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -3.303 13.980 -15.160 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -2.012 15.031 -15.789 1.00 0.00 H new ATOM 289 N ILE A 19 1.975 11.757 -16.097 1.00 0.00 N ATOM 290 CA ILE A 19 3.159 10.927 -15.805 1.00 0.00 C ATOM 291 C ILE A 19 4.078 11.632 -14.797 1.00 0.00 C ATOM 292 O ILE A 19 4.439 11.034 -13.783 1.00 0.00 O ATOM 293 CB ILE A 19 3.871 10.548 -17.129 1.00 0.00 C ATOM 294 CG1 ILE A 19 2.990 9.561 -17.937 1.00 0.00 C ATOM 295 CG2 ILE A 19 5.257 9.925 -16.866 1.00 0.00 C ATOM 296 CD1 ILE A 19 3.423 9.388 -19.398 1.00 0.00 C ATOM 0 H ILE A 19 1.840 11.933 -17.093 1.00 0.00 H new ATOM 0 HA ILE A 19 2.853 9.995 -15.331 1.00 0.00 H new ATOM 0 HB ILE A 19 4.019 11.461 -17.706 1.00 0.00 H new ATOM 0 HG12 ILE A 19 3.009 8.588 -17.446 1.00 0.00 H new ATOM 0 HG13 ILE A 19 1.958 9.910 -17.914 1.00 0.00 H new ATOM 0 HG21 ILE A 19 5.728 9.671 -17.816 1.00 0.00 H new ATOM 0 HG22 ILE A 19 5.882 10.640 -16.331 1.00 0.00 H new ATOM 0 HG23 ILE A 19 5.142 9.023 -16.265 1.00 0.00 H new ATOM 0 HD11 ILE A 19 2.757 8.682 -19.894 1.00 0.00 H new ATOM 0 HD12 ILE A 19 3.377 10.350 -19.908 1.00 0.00 H new ATOM 0 HD13 ILE A 19 4.444 9.008 -19.432 1.00 0.00 H new ATOM 308 N ARG A 20 4.399 12.916 -15.010 1.00 0.00 N ATOM 309 CA ARG A 20 5.296 13.664 -14.115 1.00 0.00 C ATOM 310 C ARG A 20 4.737 13.890 -12.695 1.00 0.00 C ATOM 311 O ARG A 20 5.515 14.130 -11.772 1.00 0.00 O ATOM 312 CB ARG A 20 5.757 14.971 -14.779 1.00 0.00 C ATOM 313 CG ARG A 20 4.671 16.053 -14.847 1.00 0.00 C ATOM 314 CD ARG A 20 5.182 17.317 -15.546 1.00 0.00 C ATOM 315 NE ARG A 20 4.213 18.421 -15.417 1.00 0.00 N ATOM 316 CZ ARG A 20 4.327 19.632 -15.955 1.00 0.00 C ATOM 317 NH1 ARG A 20 5.325 19.951 -16.753 1.00 0.00 N ATOM 318 NH2 ARG A 20 3.427 20.554 -15.689 1.00 0.00 N ATOM 0 H ARG A 20 4.049 13.461 -15.798 1.00 0.00 H new ATOM 0 HA ARG A 20 6.169 13.030 -13.959 1.00 0.00 H new ATOM 0 HB2 ARG A 20 6.613 15.364 -14.230 1.00 0.00 H new ATOM 0 HB3 ARG A 20 6.101 14.752 -15.790 1.00 0.00 H new ATOM 0 HG2 ARG A 20 3.803 15.666 -15.381 1.00 0.00 H new ATOM 0 HG3 ARG A 20 4.340 16.302 -13.839 1.00 0.00 H new ATOM 0 HD2 ARG A 20 6.137 17.615 -15.114 1.00 0.00 H new ATOM 0 HD3 ARG A 20 5.361 17.107 -16.600 1.00 0.00 H new ATOM 0 HE ARG A 20 3.376 18.239 -14.863 1.00 0.00 H new ATOM 0 HH11 ARG A 20 6.041 19.260 -16.976 1.00 0.00 H new ATOM 0 HH12 ARG A 20 5.382 20.889 -17.149 1.00 0.00 H new ATOM 0 HH21 ARG A 20 2.644 20.339 -15.071 1.00 0.00 H new ATOM 0 HH22 ARG A 20 3.512 21.484 -16.100 1.00 0.00 H new ATOM 332 N LYS A 21 3.417 13.786 -12.480 1.00 0.00 N ATOM 333 CA LYS A 21 2.807 13.817 -11.139 1.00 0.00 C ATOM 334 C LYS A 21 2.971 12.480 -10.386 1.00 0.00 C ATOM 335 O LYS A 21 3.120 12.484 -9.161 1.00 0.00 O ATOM 336 CB LYS A 21 1.319 14.173 -11.293 1.00 0.00 C ATOM 337 CG LYS A 21 1.106 15.620 -11.773 1.00 0.00 C ATOM 338 CD LYS A 21 -0.317 15.861 -12.295 1.00 0.00 C ATOM 339 CE LYS A 21 -1.434 15.470 -11.316 1.00 0.00 C ATOM 340 NZ LYS A 21 -1.610 16.463 -10.219 1.00 0.00 N ATOM 0 H LYS A 21 2.738 13.678 -13.234 1.00 0.00 H new ATOM 0 HA LYS A 21 3.320 14.569 -10.540 1.00 0.00 H new ATOM 0 HB2 LYS A 21 0.856 13.487 -12.002 1.00 0.00 H new ATOM 0 HB3 LYS A 21 0.814 14.033 -10.337 1.00 0.00 H new ATOM 0 HG2 LYS A 21 1.309 16.306 -10.951 1.00 0.00 H new ATOM 0 HG3 LYS A 21 1.823 15.847 -12.562 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -0.424 16.917 -12.544 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -0.450 15.300 -13.220 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -2.372 15.368 -11.863 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -1.209 14.494 -10.885 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -2.375 16.151 -9.588 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -0.726 16.543 -9.678 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -1.852 17.389 -10.625 1.00 0.00 H new ATOM 354 N PHE A 22 2.966 11.354 -11.111 1.00 0.00 N ATOM 355 CA PHE A 22 3.137 9.997 -10.569 1.00 0.00 C ATOM 356 C PHE A 22 4.593 9.490 -10.576 1.00 0.00 C ATOM 357 O PHE A 22 4.888 8.494 -9.911 1.00 0.00 O ATOM 358 CB PHE A 22 2.189 9.041 -11.311 1.00 0.00 C ATOM 359 CG PHE A 22 0.745 9.187 -10.865 1.00 0.00 C ATOM 360 CD1 PHE A 22 0.334 8.616 -9.645 1.00 0.00 C ATOM 361 CD2 PHE A 22 -0.179 9.916 -11.635 1.00 0.00 C ATOM 362 CE1 PHE A 22 -0.991 8.771 -9.198 1.00 0.00 C ATOM 363 CE2 PHE A 22 -1.503 10.077 -11.189 1.00 0.00 C ATOM 364 CZ PHE A 22 -1.910 9.504 -9.969 1.00 0.00 C ATOM 0 H PHE A 22 2.839 11.361 -12.123 1.00 0.00 H new ATOM 0 HA PHE A 22 2.876 10.032 -9.511 1.00 0.00 H new ATOM 0 HB2 PHE A 22 2.255 9.229 -12.383 1.00 0.00 H new ATOM 0 HB3 PHE A 22 2.514 8.014 -11.147 1.00 0.00 H new ATOM 0 HD1 PHE A 22 1.040 8.056 -9.049 1.00 0.00 H new ATOM 0 HD2 PHE A 22 0.130 10.354 -12.573 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -1.302 8.327 -8.264 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -2.208 10.640 -11.783 1.00 0.00 H new ATOM 0 HZ PHE A 22 -2.927 9.627 -9.626 1.00 0.00 H new ATOM 374 N GLU A 23 5.513 10.174 -11.269 1.00 0.00 N ATOM 375 CA GLU A 23 6.963 9.982 -11.111 1.00 0.00 C ATOM 376 C GLU A 23 7.456 10.258 -9.665 1.00 0.00 C ATOM 377 O GLU A 23 6.753 10.832 -8.824 1.00 0.00 O ATOM 378 CB GLU A 23 7.737 10.841 -12.125 1.00 0.00 C ATOM 379 CG GLU A 23 7.810 10.241 -13.535 1.00 0.00 C ATOM 380 CD GLU A 23 8.690 11.079 -14.486 1.00 0.00 C ATOM 381 OE1 GLU A 23 9.103 12.213 -14.137 1.00 0.00 O ATOM 382 OE2 GLU A 23 8.997 10.586 -15.598 1.00 0.00 O ATOM 0 H GLU A 23 5.271 10.883 -11.961 1.00 0.00 H new ATOM 0 HA GLU A 23 7.163 8.929 -11.311 1.00 0.00 H new ATOM 0 HB2 GLU A 23 7.268 11.823 -12.185 1.00 0.00 H new ATOM 0 HB3 GLU A 23 8.751 10.994 -11.755 1.00 0.00 H new ATOM 0 HG2 GLU A 23 8.207 9.228 -13.476 1.00 0.00 H new ATOM 0 HG3 GLU A 23 6.804 10.166 -13.947 1.00 0.00 H new ATOM 389 N GLY A 24 8.684 9.813 -9.366 1.00 0.00 N ATOM 390 CA GLY A 24 9.239 9.661 -8.015 1.00 0.00 C ATOM 391 C GLY A 24 10.098 10.831 -7.544 1.00 0.00 C ATOM 392 O GLY A 24 11.143 10.603 -6.935 1.00 0.00 O ATOM 0 H GLY A 24 9.346 9.537 -10.091 1.00 0.00 H new ATOM 0 HA2 GLY A 24 8.417 9.525 -7.312 1.00 0.00 H new ATOM 0 HA3 GLY A 24 9.839 8.751 -7.983 1.00 0.00 H new ATOM 396 N GLN A 25 9.677 12.075 -7.792 1.00 0.00 N ATOM 397 CA GLN A 25 10.332 13.303 -7.312 1.00 0.00 C ATOM 398 C GLN A 25 10.079 13.521 -5.801 1.00 0.00 C ATOM 399 O GLN A 25 9.449 14.491 -5.383 1.00 0.00 O ATOM 400 CB GLN A 25 9.909 14.521 -8.162 1.00 0.00 C ATOM 401 CG GLN A 25 10.471 14.540 -9.600 1.00 0.00 C ATOM 402 CD GLN A 25 9.686 13.703 -10.614 1.00 0.00 C ATOM 403 OE1 GLN A 25 8.618 13.176 -10.338 1.00 0.00 O ATOM 404 NE2 GLN A 25 10.183 13.561 -11.830 1.00 0.00 N ATOM 0 H GLN A 25 8.844 12.265 -8.350 1.00 0.00 H new ATOM 0 HA GLN A 25 11.409 13.187 -7.434 1.00 0.00 H new ATOM 0 HB2 GLN A 25 8.821 14.549 -8.213 1.00 0.00 H new ATOM 0 HB3 GLN A 25 10.228 15.430 -7.651 1.00 0.00 H new ATOM 0 HG2 GLN A 25 10.500 15.572 -9.949 1.00 0.00 H new ATOM 0 HG3 GLN A 25 11.500 14.183 -9.576 1.00 0.00 H new ATOM 0 HE21 GLN A 25 11.073 13.996 -12.071 1.00 0.00 H new ATOM 0 HE22 GLN A 25 9.676 13.016 -12.528 1.00 0.00 H new ATOM 413 N SER A 26 10.558 12.575 -4.986 1.00 0.00 N ATOM 414 CA SER A 26 10.740 12.617 -3.513 1.00 0.00 C ATOM 415 C SER A 26 9.564 12.003 -2.721 1.00 0.00 C ATOM 416 O SER A 26 9.613 11.926 -1.489 1.00 0.00 O ATOM 417 CB SER A 26 11.080 14.038 -3.011 1.00 0.00 C ATOM 418 OG SER A 26 11.776 14.027 -1.767 1.00 0.00 O ATOM 0 H SER A 26 10.858 11.676 -5.364 1.00 0.00 H new ATOM 0 HA SER A 26 11.599 11.977 -3.313 1.00 0.00 H new ATOM 0 HB2 SER A 26 11.687 14.548 -3.759 1.00 0.00 H new ATOM 0 HB3 SER A 26 10.159 14.611 -2.903 1.00 0.00 H new ATOM 0 HG SER A 26 11.384 13.348 -1.179 1.00 0.00 H new ATOM 424 N ARG A 27 8.505 11.547 -3.410 1.00 0.00 N ATOM 425 CA ARG A 27 7.333 10.908 -2.792 1.00 0.00 C ATOM 426 C ARG A 27 7.584 9.416 -2.507 1.00 0.00 C ATOM 427 O ARG A 27 8.530 8.804 -3.006 1.00 0.00 O ATOM 428 CB ARG A 27 6.064 11.110 -3.644 1.00 0.00 C ATOM 429 CG ARG A 27 5.524 12.551 -3.699 1.00 0.00 C ATOM 430 CD ARG A 27 6.359 13.534 -4.533 1.00 0.00 C ATOM 431 NE ARG A 27 5.685 14.838 -4.658 1.00 0.00 N ATOM 432 CZ ARG A 27 4.738 15.180 -5.528 1.00 0.00 C ATOM 433 NH1 ARG A 27 4.274 14.340 -6.432 1.00 0.00 N ATOM 434 NH2 ARG A 27 4.235 16.395 -5.492 1.00 0.00 N ATOM 0 H ARG A 27 8.439 11.613 -4.426 1.00 0.00 H new ATOM 0 HA ARG A 27 7.167 11.399 -1.833 1.00 0.00 H new ATOM 0 HB2 ARG A 27 6.275 10.781 -4.661 1.00 0.00 H new ATOM 0 HB3 ARG A 27 5.279 10.461 -3.255 1.00 0.00 H new ATOM 0 HG2 ARG A 27 4.512 12.527 -4.102 1.00 0.00 H new ATOM 0 HG3 ARG A 27 5.452 12.934 -2.681 1.00 0.00 H new ATOM 0 HD2 ARG A 27 7.335 13.670 -4.068 1.00 0.00 H new ATOM 0 HD3 ARG A 27 6.533 13.116 -5.524 1.00 0.00 H new ATOM 0 HE ARG A 27 5.978 15.562 -4.002 1.00 0.00 H new ATOM 0 HH11 ARG A 27 4.642 13.390 -6.482 1.00 0.00 H new ATOM 0 HH12 ARG A 27 3.547 14.640 -7.082 1.00 0.00 H new ATOM 0 HH21 ARG A 27 4.571 17.066 -4.801 1.00 0.00 H new ATOM 0 HH22 ARG A 27 3.509 16.666 -6.155 1.00 0.00 H new ATOM 448 N LYS A 28 6.716 8.820 -1.688 1.00 0.00 N ATOM 449 CA LYS A 28 6.855 7.463 -1.146 1.00 0.00 C ATOM 450 C LYS A 28 6.016 6.457 -1.952 1.00 0.00 C ATOM 451 O LYS A 28 4.869 6.739 -2.290 1.00 0.00 O ATOM 452 CB LYS A 28 6.433 7.477 0.340 1.00 0.00 C ATOM 453 CG LYS A 28 7.050 8.617 1.177 1.00 0.00 C ATOM 454 CD LYS A 28 6.079 9.805 1.347 1.00 0.00 C ATOM 455 CE LYS A 28 6.829 11.004 1.935 1.00 0.00 C ATOM 456 NZ LYS A 28 5.968 12.212 2.075 1.00 0.00 N ATOM 0 H LYS A 28 5.865 9.284 -1.371 1.00 0.00 H new ATOM 0 HA LYS A 28 7.895 7.145 -1.224 1.00 0.00 H new ATOM 0 HB2 LYS A 28 5.347 7.552 0.394 1.00 0.00 H new ATOM 0 HB3 LYS A 28 6.709 6.524 0.791 1.00 0.00 H new ATOM 0 HG2 LYS A 28 7.330 8.235 2.159 1.00 0.00 H new ATOM 0 HG3 LYS A 28 7.965 8.964 0.697 1.00 0.00 H new ATOM 0 HD2 LYS A 28 5.644 10.072 0.384 1.00 0.00 H new ATOM 0 HD3 LYS A 28 5.255 9.523 2.002 1.00 0.00 H new ATOM 0 HE2 LYS A 28 7.228 10.733 2.912 1.00 0.00 H new ATOM 0 HE3 LYS A 28 7.680 11.242 1.298 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 6.530 13.064 1.876 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 5.177 12.154 1.403 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 5.595 12.262 3.045 1.00 0.00 H new ATOM 470 N PHE A 29 6.558 5.267 -2.224 1.00 0.00 N ATOM 471 CA PHE A 29 5.876 4.199 -2.965 1.00 0.00 C ATOM 472 C PHE A 29 6.525 2.820 -2.790 1.00 0.00 C ATOM 473 O PHE A 29 7.692 2.708 -2.415 1.00 0.00 O ATOM 474 CB PHE A 29 5.764 4.572 -4.461 1.00 0.00 C ATOM 475 CG PHE A 29 7.093 4.796 -5.159 1.00 0.00 C ATOM 476 CD1 PHE A 29 7.816 3.703 -5.678 1.00 0.00 C ATOM 477 CD2 PHE A 29 7.612 6.099 -5.286 1.00 0.00 C ATOM 478 CE1 PHE A 29 9.058 3.912 -6.304 1.00 0.00 C ATOM 479 CE2 PHE A 29 8.852 6.307 -5.915 1.00 0.00 C ATOM 480 CZ PHE A 29 9.578 5.214 -6.421 1.00 0.00 C ATOM 0 H PHE A 29 7.501 5.013 -1.930 1.00 0.00 H new ATOM 0 HA PHE A 29 4.877 4.113 -2.537 1.00 0.00 H new ATOM 0 HB2 PHE A 29 5.225 3.779 -4.980 1.00 0.00 H new ATOM 0 HB3 PHE A 29 5.164 5.477 -4.552 1.00 0.00 H new ATOM 0 HD1 PHE A 29 7.416 2.703 -5.595 1.00 0.00 H new ATOM 0 HD2 PHE A 29 7.056 6.940 -4.899 1.00 0.00 H new ATOM 0 HE1 PHE A 29 9.613 3.072 -6.695 1.00 0.00 H new ATOM 0 HE2 PHE A 29 9.248 7.307 -6.010 1.00 0.00 H new ATOM 0 HZ PHE A 29 10.533 5.374 -6.899 1.00 0.00 H new ATOM 490 N ILE A 30 5.762 1.772 -3.115 1.00 0.00 N ATOM 491 CA ILE A 30 6.182 0.359 -3.154 1.00 0.00 C ATOM 492 C ILE A 30 5.545 -0.355 -4.355 1.00 0.00 C ATOM 493 O ILE A 30 4.520 0.092 -4.863 1.00 0.00 O ATOM 494 CB ILE A 30 5.840 -0.352 -1.821 1.00 0.00 C ATOM 495 CG1 ILE A 30 4.319 -0.419 -1.560 1.00 0.00 C ATOM 496 CG2 ILE A 30 6.552 0.324 -0.639 1.00 0.00 C ATOM 497 CD1 ILE A 30 3.972 -1.024 -0.196 1.00 0.00 C ATOM 0 H ILE A 30 4.782 1.888 -3.372 1.00 0.00 H new ATOM 0 HA ILE A 30 7.264 0.319 -3.277 1.00 0.00 H new ATOM 0 HB ILE A 30 6.200 -1.377 -1.914 1.00 0.00 H new ATOM 0 HG12 ILE A 30 3.901 0.586 -1.623 1.00 0.00 H new ATOM 0 HG13 ILE A 30 3.847 -1.011 -2.344 1.00 0.00 H new ATOM 0 HG21 ILE A 30 6.295 -0.194 0.285 1.00 0.00 H new ATOM 0 HG22 ILE A 30 7.630 0.281 -0.791 1.00 0.00 H new ATOM 0 HG23 ILE A 30 6.236 1.365 -0.571 1.00 0.00 H new ATOM 0 HD11 ILE A 30 2.889 -1.044 -0.072 1.00 0.00 H new ATOM 0 HD12 ILE A 30 4.363 -2.040 -0.139 1.00 0.00 H new ATOM 0 HD13 ILE A 30 4.417 -0.419 0.594 1.00 0.00 H new ATOM 509 N ILE A 31 6.133 -1.457 -4.817 1.00 0.00 N ATOM 510 CA ILE A 31 5.690 -2.251 -5.974 1.00 0.00 C ATOM 511 C ILE A 31 5.357 -3.671 -5.508 1.00 0.00 C ATOM 512 O ILE A 31 6.146 -4.283 -4.787 1.00 0.00 O ATOM 513 CB ILE A 31 6.785 -2.294 -7.069 1.00 0.00 C ATOM 514 CG1 ILE A 31 7.381 -0.890 -7.342 1.00 0.00 C ATOM 515 CG2 ILE A 31 6.220 -2.932 -8.356 1.00 0.00 C ATOM 516 CD1 ILE A 31 8.425 -0.836 -8.464 1.00 0.00 C ATOM 0 H ILE A 31 6.970 -1.843 -4.379 1.00 0.00 H new ATOM 0 HA ILE A 31 4.804 -1.785 -6.404 1.00 0.00 H new ATOM 0 HB ILE A 31 7.605 -2.914 -6.708 1.00 0.00 H new ATOM 0 HG12 ILE A 31 6.567 -0.208 -7.590 1.00 0.00 H new ATOM 0 HG13 ILE A 31 7.837 -0.521 -6.424 1.00 0.00 H new ATOM 0 HG21 ILE A 31 6.997 -2.958 -9.120 1.00 0.00 H new ATOM 0 HG22 ILE A 31 5.887 -3.948 -8.143 1.00 0.00 H new ATOM 0 HG23 ILE A 31 5.377 -2.341 -8.715 1.00 0.00 H new ATOM 0 HD11 ILE A 31 8.783 0.187 -8.579 1.00 0.00 H new ATOM 0 HD12 ILE A 31 9.263 -1.487 -8.213 1.00 0.00 H new ATOM 0 HD13 ILE A 31 7.973 -1.170 -9.398 1.00 0.00 H new ATOM 528 N ALA A 32 4.226 -4.215 -5.952 1.00 0.00 N ATOM 529 CA ALA A 32 3.729 -5.539 -5.588 1.00 0.00 C ATOM 530 C ALA A 32 3.205 -6.317 -6.807 1.00 0.00 C ATOM 531 O ALA A 32 2.748 -5.724 -7.786 1.00 0.00 O ATOM 532 CB ALA A 32 2.657 -5.335 -4.514 1.00 0.00 C ATOM 0 H ALA A 32 3.608 -3.727 -6.600 1.00 0.00 H new ATOM 0 HA ALA A 32 4.538 -6.155 -5.195 1.00 0.00 H new ATOM 0 HB1 ALA A 32 2.256 -6.303 -4.211 1.00 0.00 H new ATOM 0 HB2 ALA A 32 3.098 -4.838 -3.650 1.00 0.00 H new ATOM 0 HB3 ALA A 32 1.852 -4.719 -4.915 1.00 0.00 H new ATOM 538 N ASN A 33 3.277 -7.650 -6.764 1.00 0.00 N ATOM 539 CA ASN A 33 2.926 -8.527 -7.880 1.00 0.00 C ATOM 540 C ASN A 33 1.402 -8.760 -8.021 1.00 0.00 C ATOM 541 O ASN A 33 0.775 -9.450 -7.219 1.00 0.00 O ATOM 542 CB ASN A 33 3.763 -9.819 -7.777 1.00 0.00 C ATOM 543 CG ASN A 33 3.734 -10.590 -6.451 1.00 0.00 C ATOM 544 OD1 ASN A 33 2.891 -10.409 -5.585 1.00 0.00 O ATOM 545 ND2 ASN A 33 4.677 -11.495 -6.262 1.00 0.00 N ATOM 0 H ASN A 33 3.587 -8.158 -5.936 1.00 0.00 H new ATOM 0 HA ASN A 33 3.182 -8.034 -8.818 1.00 0.00 H new ATOM 0 HB2 ASN A 33 3.431 -10.496 -8.564 1.00 0.00 H new ATOM 0 HB3 ASN A 33 4.800 -9.563 -7.992 1.00 0.00 H new ATOM 0 HD21 ASN A 33 4.698 -12.037 -5.398 1.00 0.00 H new ATOM 0 HD22 ASN A 33 5.384 -11.652 -6.980 1.00 0.00 H new ATOM 552 N ALA A 34 0.791 -8.232 -9.090 1.00 0.00 N ATOM 553 CA ALA A 34 -0.671 -8.244 -9.291 1.00 0.00 C ATOM 554 C ALA A 34 -1.258 -9.653 -9.508 1.00 0.00 C ATOM 555 O ALA A 34 -2.432 -9.890 -9.225 1.00 0.00 O ATOM 556 CB ALA A 34 -1.001 -7.344 -10.492 1.00 0.00 C ATOM 0 H ALA A 34 1.300 -7.779 -9.849 1.00 0.00 H new ATOM 0 HA ALA A 34 -1.131 -7.871 -8.376 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -2.078 -7.339 -10.658 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -0.660 -6.328 -10.290 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -0.499 -7.725 -11.381 1.00 0.00 H new ATOM 562 N ARG A 35 -0.432 -10.590 -9.998 1.00 0.00 N ATOM 563 CA ARG A 35 -0.846 -11.947 -10.396 1.00 0.00 C ATOM 564 C ARG A 35 -0.909 -12.965 -9.235 1.00 0.00 C ATOM 565 O ARG A 35 -1.296 -14.112 -9.457 1.00 0.00 O ATOM 566 CB ARG A 35 0.074 -12.449 -11.529 1.00 0.00 C ATOM 567 CG ARG A 35 0.112 -11.479 -12.728 1.00 0.00 C ATOM 568 CD ARG A 35 0.762 -12.104 -13.967 1.00 0.00 C ATOM 569 NE ARG A 35 2.174 -12.466 -13.731 1.00 0.00 N ATOM 570 CZ ARG A 35 2.855 -13.436 -14.335 1.00 0.00 C ATOM 571 NH1 ARG A 35 2.320 -14.194 -15.270 1.00 0.00 N ATOM 572 NH2 ARG A 35 4.109 -13.659 -14.002 1.00 0.00 N ATOM 0 H ARG A 35 0.565 -10.423 -10.132 1.00 0.00 H new ATOM 0 HA ARG A 35 -1.874 -11.869 -10.749 1.00 0.00 H new ATOM 0 HB2 ARG A 35 1.084 -12.583 -11.141 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -0.270 -13.427 -11.867 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -0.904 -11.168 -12.972 1.00 0.00 H new ATOM 0 HG3 ARG A 35 0.662 -10.581 -12.447 1.00 0.00 H new ATOM 0 HD2 ARG A 35 0.204 -12.994 -14.259 1.00 0.00 H new ATOM 0 HD3 ARG A 35 0.702 -11.403 -14.800 1.00 0.00 H new ATOM 0 HE ARG A 35 2.678 -11.917 -13.035 1.00 0.00 H new ATOM 0 HH11 ARG A 35 1.351 -14.047 -15.554 1.00 0.00 H new ATOM 0 HH12 ARG A 35 2.874 -14.928 -15.710 1.00 0.00 H new ATOM 0 HH21 ARG A 35 4.555 -13.089 -13.283 1.00 0.00 H new ATOM 0 HH22 ARG A 35 4.635 -14.402 -14.463 1.00 0.00 H new ATOM 586 N VAL A 36 -0.532 -12.567 -8.013 1.00 0.00 N ATOM 587 CA VAL A 36 -0.566 -13.401 -6.790 1.00 0.00 C ATOM 588 C VAL A 36 -1.677 -12.883 -5.870 1.00 0.00 C ATOM 589 O VAL A 36 -1.807 -11.673 -5.696 1.00 0.00 O ATOM 590 CB VAL A 36 0.800 -13.390 -6.059 1.00 0.00 C ATOM 591 CG1 VAL A 36 0.807 -14.347 -4.856 1.00 0.00 C ATOM 592 CG2 VAL A 36 1.949 -13.793 -7.002 1.00 0.00 C ATOM 0 H VAL A 36 -0.182 -11.625 -7.836 1.00 0.00 H new ATOM 0 HA VAL A 36 -0.770 -14.434 -7.070 1.00 0.00 H new ATOM 0 HB VAL A 36 0.950 -12.367 -5.713 1.00 0.00 H new ATOM 0 HG11 VAL A 36 1.781 -14.312 -4.369 1.00 0.00 H new ATOM 0 HG12 VAL A 36 0.036 -14.046 -4.147 1.00 0.00 H new ATOM 0 HG13 VAL A 36 0.609 -15.363 -5.198 1.00 0.00 H new ATOM 0 HG21 VAL A 36 2.892 -13.774 -6.455 1.00 0.00 H new ATOM 0 HG22 VAL A 36 1.771 -14.798 -7.384 1.00 0.00 H new ATOM 0 HG23 VAL A 36 1.999 -13.092 -7.835 1.00 0.00 H new ATOM 602 N GLU A 37 -2.460 -13.787 -5.270 1.00 0.00 N ATOM 603 CA GLU A 37 -3.660 -13.457 -4.478 1.00 0.00 C ATOM 604 C GLU A 37 -3.378 -12.470 -3.325 1.00 0.00 C ATOM 605 O GLU A 37 -4.143 -11.529 -3.105 1.00 0.00 O ATOM 606 CB GLU A 37 -4.259 -14.769 -3.939 1.00 0.00 C ATOM 607 CG GLU A 37 -5.615 -14.575 -3.250 1.00 0.00 C ATOM 608 CD GLU A 37 -6.212 -15.926 -2.829 1.00 0.00 C ATOM 609 OE1 GLU A 37 -5.910 -16.405 -1.710 1.00 0.00 O ATOM 610 OE2 GLU A 37 -6.992 -16.521 -3.611 1.00 0.00 O ATOM 0 H GLU A 37 -2.277 -14.789 -5.320 1.00 0.00 H new ATOM 0 HA GLU A 37 -4.368 -12.948 -5.131 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -4.375 -15.474 -4.763 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -3.560 -15.217 -3.232 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -5.495 -13.937 -2.374 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -6.301 -14.064 -3.925 1.00 0.00 H new ATOM 617 N ASN A 38 -2.258 -12.653 -2.617 1.00 0.00 N ATOM 618 CA ASN A 38 -1.826 -11.778 -1.517 1.00 0.00 C ATOM 619 C ASN A 38 -1.181 -10.448 -1.974 1.00 0.00 C ATOM 620 O ASN A 38 -1.040 -9.556 -1.143 1.00 0.00 O ATOM 621 CB ASN A 38 -0.892 -12.571 -0.583 1.00 0.00 C ATOM 622 CG ASN A 38 0.339 -13.141 -1.286 1.00 0.00 C ATOM 623 OD1 ASN A 38 1.109 -12.426 -1.911 1.00 0.00 O ATOM 624 ND2 ASN A 38 0.534 -14.447 -1.241 1.00 0.00 N ATOM 0 H ASN A 38 -1.615 -13.425 -2.794 1.00 0.00 H new ATOM 0 HA ASN A 38 -2.723 -11.470 -0.979 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -0.567 -11.921 0.229 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -1.453 -13.389 -0.131 1.00 0.00 H new ATOM 0 HD21 ASN A 38 1.329 -14.861 -1.728 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -0.110 -15.041 -0.719 1.00 0.00 H new ATOM 631 N CYS A 39 -0.785 -10.302 -3.250 1.00 0.00 N ATOM 632 CA CYS A 39 -0.058 -9.137 -3.791 1.00 0.00 C ATOM 633 C CYS A 39 1.170 -8.754 -2.931 1.00 0.00 C ATOM 634 O CYS A 39 1.236 -7.664 -2.359 1.00 0.00 O ATOM 635 CB CYS A 39 -1.033 -7.965 -4.011 1.00 0.00 C ATOM 636 SG CYS A 39 -2.176 -8.335 -5.374 1.00 0.00 S ATOM 0 H CYS A 39 -0.967 -11.014 -3.957 1.00 0.00 H new ATOM 0 HA CYS A 39 0.355 -9.410 -4.762 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -1.596 -7.777 -3.097 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -0.474 -7.056 -4.234 1.00 0.00 H new ATOM 0 HG CYS A 39 -2.150 -9.610 -5.629 1.00 0.00 H new ATOM 642 N ALA A 40 2.140 -9.662 -2.813 1.00 0.00 N ATOM 643 CA ALA A 40 3.367 -9.443 -2.050 1.00 0.00 C ATOM 644 C ALA A 40 4.194 -8.256 -2.591 1.00 0.00 C ATOM 645 O ALA A 40 4.402 -8.155 -3.802 1.00 0.00 O ATOM 646 CB ALA A 40 4.191 -10.735 -2.050 1.00 0.00 C ATOM 0 H ALA A 40 2.094 -10.582 -3.251 1.00 0.00 H new ATOM 0 HA ALA A 40 3.093 -9.180 -1.028 1.00 0.00 H new ATOM 0 HB1 ALA A 40 5.109 -10.581 -1.483 1.00 0.00 H new ATOM 0 HB2 ALA A 40 3.611 -11.536 -1.592 1.00 0.00 H new ATOM 0 HB3 ALA A 40 4.440 -11.008 -3.076 1.00 0.00 H new ATOM 652 N VAL A 41 4.713 -7.398 -1.702 1.00 0.00 N ATOM 653 CA VAL A 41 5.697 -6.349 -2.055 1.00 0.00 C ATOM 654 C VAL A 41 6.956 -7.016 -2.619 1.00 0.00 C ATOM 655 O VAL A 41 7.606 -7.805 -1.930 1.00 0.00 O ATOM 656 CB VAL A 41 6.080 -5.405 -0.880 1.00 0.00 C ATOM 657 CG1 VAL A 41 7.022 -4.288 -1.338 1.00 0.00 C ATOM 658 CG2 VAL A 41 4.830 -4.743 -0.279 1.00 0.00 C ATOM 0 H VAL A 41 4.465 -7.407 -0.713 1.00 0.00 H new ATOM 0 HA VAL A 41 5.218 -5.712 -2.798 1.00 0.00 H new ATOM 0 HB VAL A 41 6.579 -6.026 -0.135 1.00 0.00 H new ATOM 0 HG11 VAL A 41 7.268 -3.649 -0.490 1.00 0.00 H new ATOM 0 HG12 VAL A 41 7.936 -4.725 -1.740 1.00 0.00 H new ATOM 0 HG13 VAL A 41 6.534 -3.694 -2.111 1.00 0.00 H new ATOM 0 HG21 VAL A 41 5.124 -4.088 0.541 1.00 0.00 H new ATOM 0 HG22 VAL A 41 4.323 -4.159 -1.047 1.00 0.00 H new ATOM 0 HG23 VAL A 41 4.155 -5.513 0.096 1.00 0.00 H new ATOM 668 N ILE A 42 7.282 -6.688 -3.871 1.00 0.00 N ATOM 669 CA ILE A 42 8.490 -7.139 -4.589 1.00 0.00 C ATOM 670 C ILE A 42 9.587 -6.067 -4.614 1.00 0.00 C ATOM 671 O ILE A 42 10.748 -6.389 -4.870 1.00 0.00 O ATOM 672 CB ILE A 42 8.153 -7.585 -6.033 1.00 0.00 C ATOM 673 CG1 ILE A 42 7.478 -6.477 -6.876 1.00 0.00 C ATOM 674 CG2 ILE A 42 7.299 -8.860 -5.994 1.00 0.00 C ATOM 675 CD1 ILE A 42 7.322 -6.832 -8.358 1.00 0.00 C ATOM 0 H ILE A 42 6.694 -6.078 -4.439 1.00 0.00 H new ATOM 0 HA ILE A 42 8.874 -7.996 -4.036 1.00 0.00 H new ATOM 0 HB ILE A 42 9.097 -7.796 -6.536 1.00 0.00 H new ATOM 0 HG12 ILE A 42 6.494 -6.265 -6.458 1.00 0.00 H new ATOM 0 HG13 ILE A 42 8.064 -5.562 -6.792 1.00 0.00 H new ATOM 0 HG21 ILE A 42 7.063 -9.171 -7.012 1.00 0.00 H new ATOM 0 HG22 ILE A 42 7.852 -9.653 -5.491 1.00 0.00 H new ATOM 0 HG23 ILE A 42 6.374 -8.662 -5.452 1.00 0.00 H new ATOM 0 HD11 ILE A 42 6.841 -6.006 -8.881 1.00 0.00 H new ATOM 0 HD12 ILE A 42 8.304 -7.015 -8.794 1.00 0.00 H new ATOM 0 HD13 ILE A 42 6.710 -7.728 -8.455 1.00 0.00 H new ATOM 687 N TYR A 43 9.229 -4.808 -4.343 1.00 0.00 N ATOM 688 CA TYR A 43 10.155 -3.680 -4.298 1.00 0.00 C ATOM 689 C TYR A 43 9.606 -2.516 -3.465 1.00 0.00 C ATOM 690 O TYR A 43 8.409 -2.243 -3.478 1.00 0.00 O ATOM 691 CB TYR A 43 10.459 -3.203 -5.728 1.00 0.00 C ATOM 692 CG TYR A 43 11.720 -2.366 -5.820 1.00 0.00 C ATOM 693 CD1 TYR A 43 12.981 -2.979 -5.698 1.00 0.00 C ATOM 694 CD2 TYR A 43 11.632 -0.966 -5.963 1.00 0.00 C ATOM 695 CE1 TYR A 43 14.153 -2.201 -5.721 1.00 0.00 C ATOM 696 CE2 TYR A 43 12.802 -0.181 -5.989 1.00 0.00 C ATOM 697 CZ TYR A 43 14.068 -0.798 -5.865 1.00 0.00 C ATOM 698 OH TYR A 43 15.207 -0.047 -5.868 1.00 0.00 O ATOM 0 H TYR A 43 8.264 -4.542 -4.145 1.00 0.00 H new ATOM 0 HA TYR A 43 11.071 -4.022 -3.817 1.00 0.00 H new ATOM 0 HB2 TYR A 43 10.557 -4.070 -6.381 1.00 0.00 H new ATOM 0 HB3 TYR A 43 9.615 -2.620 -6.097 1.00 0.00 H new ATOM 0 HD1 TYR A 43 13.049 -4.051 -5.586 1.00 0.00 H new ATOM 0 HD2 TYR A 43 10.665 -0.494 -6.053 1.00 0.00 H new ATOM 0 HE1 TYR A 43 15.118 -2.676 -5.629 1.00 0.00 H new ATOM 0 HE2 TYR A 43 12.732 0.891 -6.104 1.00 0.00 H new ATOM 0 HH TYR A 43 14.975 0.899 -5.977 1.00 0.00 H new ATOM 708 N CYS A 44 10.483 -1.780 -2.789 1.00 0.00 N ATOM 709 CA CYS A 44 10.135 -0.594 -1.992 1.00 0.00 C ATOM 710 C CYS A 44 11.048 0.603 -2.313 1.00 0.00 C ATOM 711 O CYS A 44 12.203 0.389 -2.681 1.00 0.00 O ATOM 712 CB CYS A 44 10.206 -0.937 -0.491 1.00 0.00 C ATOM 713 SG CYS A 44 9.774 -2.652 -0.071 1.00 0.00 S ATOM 0 H CYS A 44 11.481 -1.991 -2.776 1.00 0.00 H new ATOM 0 HA CYS A 44 9.117 -0.302 -2.252 1.00 0.00 H new ATOM 0 HB2 CYS A 44 11.217 -0.736 -0.136 1.00 0.00 H new ATOM 0 HB3 CYS A 44 9.538 -0.267 0.051 1.00 0.00 H new ATOM 0 HG CYS A 44 9.871 -2.822 1.214 1.00 0.00 H new ATOM 719 N ASN A 45 10.584 1.843 -2.115 1.00 0.00 N ATOM 720 CA ASN A 45 11.471 3.025 -2.178 1.00 0.00 C ATOM 721 C ASN A 45 12.333 3.166 -0.890 1.00 0.00 C ATOM 722 O ASN A 45 12.379 2.260 -0.059 1.00 0.00 O ATOM 723 CB ASN A 45 10.624 4.283 -2.495 1.00 0.00 C ATOM 724 CG ASN A 45 11.422 5.459 -3.071 1.00 0.00 C ATOM 725 OD1 ASN A 45 12.622 5.382 -3.306 1.00 0.00 O ATOM 726 ND2 ASN A 45 10.801 6.606 -3.271 1.00 0.00 N ATOM 0 H ASN A 45 9.608 2.059 -1.911 1.00 0.00 H new ATOM 0 HA ASN A 45 12.191 2.899 -2.987 1.00 0.00 H new ATOM 0 HB2 ASN A 45 9.842 4.010 -3.203 1.00 0.00 H new ATOM 0 HB3 ASN A 45 10.127 4.610 -1.582 1.00 0.00 H new ATOM 0 HD21 ASN A 45 11.320 7.413 -3.617 1.00 0.00 H new ATOM 0 HD22 ASN A 45 9.802 6.685 -3.080 1.00 0.00 H new ATOM 733 N ASP A 46 12.982 4.314 -0.679 1.00 0.00 N ATOM 734 CA ASP A 46 13.658 4.698 0.575 1.00 0.00 C ATOM 735 C ASP A 46 12.875 5.759 1.374 1.00 0.00 C ATOM 736 O ASP A 46 13.076 5.893 2.581 1.00 0.00 O ATOM 737 CB ASP A 46 15.062 5.224 0.242 1.00 0.00 C ATOM 738 CG ASP A 46 15.981 4.121 -0.308 1.00 0.00 C ATOM 739 OD1 ASP A 46 16.485 3.302 0.498 1.00 0.00 O ATOM 740 OD2 ASP A 46 16.221 4.091 -1.539 1.00 0.00 O ATOM 0 H ASP A 46 13.057 5.032 -1.400 1.00 0.00 H new ATOM 0 HA ASP A 46 13.718 3.811 1.206 1.00 0.00 H new ATOM 0 HB2 ASP A 46 14.983 6.027 -0.491 1.00 0.00 H new ATOM 0 HB3 ASP A 46 15.509 5.653 1.139 1.00 0.00 H new ATOM 745 N GLY A 47 11.947 6.488 0.732 1.00 0.00 N ATOM 746 CA GLY A 47 11.143 7.533 1.377 1.00 0.00 C ATOM 747 C GLY A 47 10.040 6.960 2.262 1.00 0.00 C ATOM 748 O GLY A 47 9.753 7.499 3.329 1.00 0.00 O ATOM 0 H GLY A 47 11.734 6.365 -0.258 1.00 0.00 H new ATOM 0 HA2 GLY A 47 11.794 8.168 1.978 1.00 0.00 H new ATOM 0 HA3 GLY A 47 10.697 8.168 0.611 1.00 0.00 H new ATOM 752 N PHE A 48 9.443 5.835 1.841 1.00 0.00 N ATOM 753 CA PHE A 48 8.370 5.158 2.582 1.00 0.00 C ATOM 754 C PHE A 48 8.875 4.603 3.935 1.00 0.00 C ATOM 755 O PHE A 48 8.155 4.675 4.929 1.00 0.00 O ATOM 756 CB PHE A 48 7.711 4.094 1.675 1.00 0.00 C ATOM 757 CG PHE A 48 8.242 2.694 1.875 1.00 0.00 C ATOM 758 CD1 PHE A 48 9.552 2.368 1.487 1.00 0.00 C ATOM 759 CD2 PHE A 48 7.470 1.761 2.583 1.00 0.00 C ATOM 760 CE1 PHE A 48 10.115 1.146 1.892 1.00 0.00 C ATOM 761 CE2 PHE A 48 8.028 0.532 2.956 1.00 0.00 C ATOM 762 CZ PHE A 48 9.358 0.229 2.636 1.00 0.00 C ATOM 0 H PHE A 48 9.694 5.367 0.970 1.00 0.00 H new ATOM 0 HA PHE A 48 7.596 5.878 2.848 1.00 0.00 H new ATOM 0 HB2 PHE A 48 6.636 4.092 1.858 1.00 0.00 H new ATOM 0 HB3 PHE A 48 7.857 4.380 0.633 1.00 0.00 H new ATOM 0 HD1 PHE A 48 10.124 3.054 0.880 1.00 0.00 H new ATOM 0 HD2 PHE A 48 6.446 1.990 2.840 1.00 0.00 H new ATOM 0 HE1 PHE A 48 11.136 0.912 1.629 1.00 0.00 H new ATOM 0 HE2 PHE A 48 7.429 -0.188 3.494 1.00 0.00 H new ATOM 0 HZ PHE A 48 9.797 -0.703 2.960 1.00 0.00 H new ATOM 772 N CYS A 49 10.138 4.144 3.996 1.00 0.00 N ATOM 773 CA CYS A 49 10.830 3.730 5.224 1.00 0.00 C ATOM 774 C CYS A 49 10.744 4.806 6.318 1.00 0.00 C ATOM 775 O CYS A 49 10.294 4.525 7.426 1.00 0.00 O ATOM 776 CB CYS A 49 12.300 3.400 4.901 1.00 0.00 C ATOM 777 SG CYS A 49 12.450 1.809 4.048 1.00 0.00 S ATOM 0 H CYS A 49 10.721 4.049 3.164 1.00 0.00 H new ATOM 0 HA CYS A 49 10.335 2.840 5.611 1.00 0.00 H new ATOM 0 HB2 CYS A 49 12.723 4.189 4.279 1.00 0.00 H new ATOM 0 HB3 CYS A 49 12.880 3.376 5.824 1.00 0.00 H new ATOM 0 HG CYS A 49 11.316 1.509 3.487 1.00 0.00 H new ATOM 783 N GLU A 50 11.119 6.045 5.989 1.00 0.00 N ATOM 784 CA GLU A 50 11.112 7.178 6.926 1.00 0.00 C ATOM 785 C GLU A 50 9.697 7.673 7.278 1.00 0.00 C ATOM 786 O GLU A 50 9.515 8.324 8.310 1.00 0.00 O ATOM 787 CB GLU A 50 11.936 8.339 6.351 1.00 0.00 C ATOM 788 CG GLU A 50 13.408 7.958 6.162 1.00 0.00 C ATOM 789 CD GLU A 50 14.260 9.196 5.846 1.00 0.00 C ATOM 790 OE1 GLU A 50 14.306 9.627 4.669 1.00 0.00 O ATOM 791 OE2 GLU A 50 14.896 9.751 6.775 1.00 0.00 O ATOM 0 H GLU A 50 11.440 6.295 5.054 1.00 0.00 H new ATOM 0 HA GLU A 50 11.558 6.815 7.852 1.00 0.00 H new ATOM 0 HB2 GLU A 50 11.514 8.644 5.393 1.00 0.00 H new ATOM 0 HB3 GLU A 50 11.866 9.198 7.018 1.00 0.00 H new ATOM 0 HG2 GLU A 50 13.782 7.476 7.065 1.00 0.00 H new ATOM 0 HG3 GLU A 50 13.499 7.233 5.353 1.00 0.00 H new ATOM 798 N LEU A 51 8.694 7.357 6.447 1.00 0.00 N ATOM 799 CA LEU A 51 7.284 7.700 6.676 1.00 0.00 C ATOM 800 C LEU A 51 6.753 6.998 7.943 1.00 0.00 C ATOM 801 O LEU A 51 6.241 7.655 8.849 1.00 0.00 O ATOM 802 CB LEU A 51 6.459 7.324 5.418 1.00 0.00 C ATOM 803 CG LEU A 51 5.369 8.320 4.966 1.00 0.00 C ATOM 804 CD1 LEU A 51 4.431 7.619 3.970 1.00 0.00 C ATOM 805 CD2 LEU A 51 4.528 8.918 6.096 1.00 0.00 C ATOM 0 H LEU A 51 8.844 6.845 5.578 1.00 0.00 H new ATOM 0 HA LEU A 51 7.188 8.773 6.844 1.00 0.00 H new ATOM 0 HB2 LEU A 51 7.152 7.183 4.589 1.00 0.00 H new ATOM 0 HB3 LEU A 51 5.982 6.361 5.602 1.00 0.00 H new ATOM 0 HG LEU A 51 5.903 9.156 4.515 1.00 0.00 H new ATOM 0 HD11 LEU A 51 3.658 8.316 3.646 1.00 0.00 H new ATOM 0 HD12 LEU A 51 5.003 7.284 3.105 1.00 0.00 H new ATOM 0 HD13 LEU A 51 3.965 6.759 4.452 1.00 0.00 H new ATOM 0 HD21 LEU A 51 3.792 9.604 5.678 1.00 0.00 H new ATOM 0 HD22 LEU A 51 4.016 8.118 6.631 1.00 0.00 H new ATOM 0 HD23 LEU A 51 5.177 9.458 6.785 1.00 0.00 H new ATOM 817 N CYS A 52 6.895 5.667 8.019 1.00 0.00 N ATOM 818 CA CYS A 52 6.435 4.855 9.156 1.00 0.00 C ATOM 819 C CYS A 52 7.521 4.628 10.228 1.00 0.00 C ATOM 820 O CYS A 52 7.202 4.527 11.413 1.00 0.00 O ATOM 821 CB CYS A 52 5.912 3.528 8.586 1.00 0.00 C ATOM 822 SG CYS A 52 5.221 2.498 9.911 1.00 0.00 S ATOM 0 H CYS A 52 7.338 5.117 7.283 1.00 0.00 H new ATOM 0 HA CYS A 52 5.645 5.392 9.681 1.00 0.00 H new ATOM 0 HB2 CYS A 52 5.148 3.724 7.833 1.00 0.00 H new ATOM 0 HB3 CYS A 52 6.721 2.995 8.087 1.00 0.00 H new ATOM 0 HG CYS A 52 4.135 3.049 10.367 1.00 0.00 H new ATOM 828 N GLY A 53 8.795 4.541 9.831 1.00 0.00 N ATOM 829 CA GLY A 53 9.939 4.225 10.699 1.00 0.00 C ATOM 830 C GLY A 53 10.413 2.768 10.609 1.00 0.00 C ATOM 831 O GLY A 53 11.346 2.397 11.321 1.00 0.00 O ATOM 0 H GLY A 53 9.070 4.694 8.861 1.00 0.00 H new ATOM 0 HA2 GLY A 53 10.769 4.882 10.441 1.00 0.00 H new ATOM 0 HA3 GLY A 53 9.669 4.444 11.732 1.00 0.00 H new ATOM 835 N TYR A 54 9.797 1.943 9.753 1.00 0.00 N ATOM 836 CA TYR A 54 10.261 0.586 9.427 1.00 0.00 C ATOM 837 C TYR A 54 11.391 0.569 8.359 1.00 0.00 C ATOM 838 O TYR A 54 11.967 1.608 8.031 1.00 0.00 O ATOM 839 CB TYR A 54 9.042 -0.287 9.064 1.00 0.00 C ATOM 840 CG TYR A 54 8.045 0.217 8.031 1.00 0.00 C ATOM 841 CD1 TYR A 54 8.405 1.105 6.999 1.00 0.00 C ATOM 842 CD2 TYR A 54 6.722 -0.257 8.099 1.00 0.00 C ATOM 843 CE1 TYR A 54 7.448 1.525 6.057 1.00 0.00 C ATOM 844 CE2 TYR A 54 5.768 0.130 7.139 1.00 0.00 C ATOM 845 CZ TYR A 54 6.124 1.036 6.117 1.00 0.00 C ATOM 846 OH TYR A 54 5.208 1.430 5.188 1.00 0.00 O ATOM 0 H TYR A 54 8.945 2.204 9.257 1.00 0.00 H new ATOM 0 HA TYR A 54 10.737 0.152 10.306 1.00 0.00 H new ATOM 0 HB2 TYR A 54 9.420 -1.247 8.713 1.00 0.00 H new ATOM 0 HB3 TYR A 54 8.491 -0.479 9.985 1.00 0.00 H new ATOM 0 HD1 TYR A 54 9.421 1.465 6.930 1.00 0.00 H new ATOM 0 HD2 TYR A 54 6.435 -0.926 8.897 1.00 0.00 H new ATOM 0 HE1 TYR A 54 7.727 2.225 5.284 1.00 0.00 H new ATOM 0 HE2 TYR A 54 4.764 -0.266 7.184 1.00 0.00 H new ATOM 0 HH TYR A 54 4.347 1.000 5.374 1.00 0.00 H new ATOM 856 N SER A 55 11.689 -0.599 7.780 1.00 0.00 N ATOM 857 CA SER A 55 12.737 -0.792 6.757 1.00 0.00 C ATOM 858 C SER A 55 12.298 -1.808 5.687 1.00 0.00 C ATOM 859 O SER A 55 11.435 -2.655 5.953 1.00 0.00 O ATOM 860 CB SER A 55 14.042 -1.283 7.422 1.00 0.00 C ATOM 861 OG SER A 55 14.511 -0.412 8.451 1.00 0.00 O ATOM 0 H SER A 55 11.198 -1.463 8.012 1.00 0.00 H new ATOM 0 HA SER A 55 12.907 0.169 6.272 1.00 0.00 H new ATOM 0 HB2 SER A 55 13.877 -2.275 7.842 1.00 0.00 H new ATOM 0 HB3 SER A 55 14.815 -1.384 6.660 1.00 0.00 H new ATOM 0 HG SER A 55 15.337 -0.774 8.835 1.00 0.00 H new ATOM 867 N ARG A 56 12.932 -1.794 4.500 1.00 0.00 N ATOM 868 CA ARG A 56 12.642 -2.733 3.397 1.00 0.00 C ATOM 869 C ARG A 56 12.587 -4.187 3.881 1.00 0.00 C ATOM 870 O ARG A 56 11.593 -4.856 3.641 1.00 0.00 O ATOM 871 CB ARG A 56 13.657 -2.544 2.243 1.00 0.00 C ATOM 872 CG ARG A 56 13.449 -3.576 1.114 1.00 0.00 C ATOM 873 CD ARG A 56 14.452 -3.476 -0.038 1.00 0.00 C ATOM 874 NE ARG A 56 14.151 -2.367 -0.961 1.00 0.00 N ATOM 875 CZ ARG A 56 15.045 -1.800 -1.775 1.00 0.00 C ATOM 876 NH1 ARG A 56 16.293 -2.218 -1.843 1.00 0.00 N ATOM 877 NH2 ARG A 56 14.712 -0.797 -2.553 1.00 0.00 N ATOM 0 H ARG A 56 13.668 -1.124 4.276 1.00 0.00 H new ATOM 0 HA ARG A 56 11.649 -2.501 3.011 1.00 0.00 H new ATOM 0 HB2 ARG A 56 13.560 -1.537 1.836 1.00 0.00 H new ATOM 0 HB3 ARG A 56 14.671 -2.634 2.634 1.00 0.00 H new ATOM 0 HG2 ARG A 56 13.506 -4.577 1.541 1.00 0.00 H new ATOM 0 HG3 ARG A 56 12.443 -3.457 0.713 1.00 0.00 H new ATOM 0 HD2 ARG A 56 15.454 -3.342 0.369 1.00 0.00 H new ATOM 0 HD3 ARG A 56 14.456 -4.414 -0.593 1.00 0.00 H new ATOM 0 HE ARG A 56 13.196 -2.009 -0.979 1.00 0.00 H new ATOM 0 HH11 ARG A 56 16.602 -2.998 -1.263 1.00 0.00 H new ATOM 0 HH12 ARG A 56 16.950 -1.762 -2.476 1.00 0.00 H new ATOM 0 HH21 ARG A 56 13.757 -0.438 -2.542 1.00 0.00 H new ATOM 0 HH22 ARG A 56 15.408 -0.376 -3.168 1.00 0.00 H new ATOM 891 N ALA A 57 13.578 -4.658 4.642 1.00 0.00 N ATOM 892 CA ALA A 57 13.631 -6.031 5.177 1.00 0.00 C ATOM 893 C ALA A 57 12.390 -6.443 6.005 1.00 0.00 C ATOM 894 O ALA A 57 12.062 -7.629 6.066 1.00 0.00 O ATOM 895 CB ALA A 57 14.915 -6.153 6.007 1.00 0.00 C ATOM 0 H ALA A 57 14.382 -4.091 4.911 1.00 0.00 H new ATOM 0 HA ALA A 57 13.632 -6.723 4.334 1.00 0.00 H new ATOM 0 HB1 ALA A 57 14.987 -7.159 6.420 1.00 0.00 H new ATOM 0 HB2 ALA A 57 15.779 -5.958 5.371 1.00 0.00 H new ATOM 0 HB3 ALA A 57 14.893 -5.428 6.821 1.00 0.00 H new ATOM 901 N GLU A 58 11.684 -5.476 6.605 1.00 0.00 N ATOM 902 CA GLU A 58 10.472 -5.695 7.406 1.00 0.00 C ATOM 903 C GLU A 58 9.196 -5.648 6.550 1.00 0.00 C ATOM 904 O GLU A 58 8.243 -6.380 6.831 1.00 0.00 O ATOM 905 CB GLU A 58 10.362 -4.612 8.494 1.00 0.00 C ATOM 906 CG GLU A 58 11.659 -4.385 9.277 1.00 0.00 C ATOM 907 CD GLU A 58 12.123 -5.642 10.032 1.00 0.00 C ATOM 908 OE1 GLU A 58 11.410 -6.096 10.959 1.00 0.00 O ATOM 909 OE2 GLU A 58 13.214 -6.173 9.720 1.00 0.00 O ATOM 0 H GLU A 58 11.947 -4.492 6.545 1.00 0.00 H new ATOM 0 HA GLU A 58 10.558 -6.687 7.850 1.00 0.00 H new ATOM 0 HB2 GLU A 58 10.061 -3.673 8.029 1.00 0.00 H new ATOM 0 HB3 GLU A 58 9.572 -4.890 9.191 1.00 0.00 H new ATOM 0 HG2 GLU A 58 12.443 -4.069 8.589 1.00 0.00 H new ATOM 0 HG3 GLU A 58 11.512 -3.572 9.988 1.00 0.00 H new ATOM 916 N VAL A 59 9.171 -4.780 5.528 1.00 0.00 N ATOM 917 CA VAL A 59 8.003 -4.559 4.649 1.00 0.00 C ATOM 918 C VAL A 59 8.047 -5.426 3.372 1.00 0.00 C ATOM 919 O VAL A 59 7.045 -5.566 2.670 1.00 0.00 O ATOM 920 CB VAL A 59 7.797 -3.052 4.341 1.00 0.00 C ATOM 921 CG1 VAL A 59 6.453 -2.818 3.617 1.00 0.00 C ATOM 922 CG2 VAL A 59 7.800 -2.249 5.651 1.00 0.00 C ATOM 0 H VAL A 59 9.973 -4.200 5.281 1.00 0.00 H new ATOM 0 HA VAL A 59 7.124 -4.892 5.201 1.00 0.00 H new ATOM 0 HB VAL A 59 8.612 -2.723 3.696 1.00 0.00 H new ATOM 0 HG11 VAL A 59 6.331 -1.755 3.412 1.00 0.00 H new ATOM 0 HG12 VAL A 59 6.444 -3.372 2.678 1.00 0.00 H new ATOM 0 HG13 VAL A 59 5.634 -3.162 4.249 1.00 0.00 H new ATOM 0 HG21 VAL A 59 7.655 -1.192 5.430 1.00 0.00 H new ATOM 0 HG22 VAL A 59 6.993 -2.599 6.294 1.00 0.00 H new ATOM 0 HG23 VAL A 59 8.754 -2.386 6.159 1.00 0.00 H new ATOM 932 N MET A 60 9.177 -6.078 3.082 1.00 0.00 N ATOM 933 CA MET A 60 9.272 -7.084 2.010 1.00 0.00 C ATOM 934 C MET A 60 8.472 -8.347 2.358 1.00 0.00 C ATOM 935 O MET A 60 8.404 -8.756 3.517 1.00 0.00 O ATOM 936 CB MET A 60 10.740 -7.422 1.704 1.00 0.00 C ATOM 937 CG MET A 60 11.364 -6.344 0.809 1.00 0.00 C ATOM 938 SD MET A 60 10.757 -6.264 -0.901 1.00 0.00 S ATOM 939 CE MET A 60 11.471 -7.790 -1.567 1.00 0.00 C ATOM 0 H MET A 60 10.053 -5.926 3.581 1.00 0.00 H new ATOM 0 HA MET A 60 8.832 -6.655 1.110 1.00 0.00 H new ATOM 0 HB2 MET A 60 11.303 -7.501 2.634 1.00 0.00 H new ATOM 0 HB3 MET A 60 10.801 -8.392 1.211 1.00 0.00 H new ATOM 0 HG2 MET A 60 11.198 -5.373 1.276 1.00 0.00 H new ATOM 0 HG3 MET A 60 12.442 -6.504 0.782 1.00 0.00 H new ATOM 0 HE1 MET A 60 11.330 -7.816 -2.648 1.00 0.00 H new ATOM 0 HE2 MET A 60 12.536 -7.823 -1.339 1.00 0.00 H new ATOM 0 HE3 MET A 60 10.977 -8.650 -1.116 1.00 0.00 H new ATOM 949 N GLN A 61 7.836 -8.941 1.337 1.00 0.00 N ATOM 950 CA GLN A 61 6.963 -10.130 1.424 1.00 0.00 C ATOM 951 C GLN A 61 5.604 -9.857 2.112 1.00 0.00 C ATOM 952 O GLN A 61 4.794 -10.767 2.291 1.00 0.00 O ATOM 953 CB GLN A 61 7.738 -11.320 2.048 1.00 0.00 C ATOM 954 CG GLN A 61 7.282 -12.714 1.577 1.00 0.00 C ATOM 955 CD GLN A 61 7.609 -12.977 0.104 1.00 0.00 C ATOM 956 OE1 GLN A 61 6.788 -12.789 -0.786 1.00 0.00 O ATOM 957 NE2 GLN A 61 8.819 -13.391 -0.220 1.00 0.00 N ATOM 0 H GLN A 61 7.918 -8.592 0.382 1.00 0.00 H new ATOM 0 HA GLN A 61 6.689 -10.406 0.406 1.00 0.00 H new ATOM 0 HB2 GLN A 61 8.797 -11.204 1.818 1.00 0.00 H new ATOM 0 HB3 GLN A 61 7.639 -11.269 3.132 1.00 0.00 H new ATOM 0 HG2 GLN A 61 7.761 -13.475 2.193 1.00 0.00 H new ATOM 0 HG3 GLN A 61 6.207 -12.811 1.729 1.00 0.00 H new ATOM 0 HE21 GLN A 61 9.515 -13.552 0.508 1.00 0.00 H new ATOM 0 HE22 GLN A 61 9.059 -13.550 -1.199 1.00 0.00 H new ATOM 966 N ARG A 62 5.318 -8.594 2.450 1.00 0.00 N ATOM 967 CA ARG A 62 4.019 -8.147 2.988 1.00 0.00 C ATOM 968 C ARG A 62 2.980 -8.052 1.862 1.00 0.00 C ATOM 969 O ARG A 62 3.378 -7.768 0.731 1.00 0.00 O ATOM 970 CB ARG A 62 4.140 -6.765 3.660 1.00 0.00 C ATOM 971 CG ARG A 62 5.048 -6.724 4.890 1.00 0.00 C ATOM 972 CD ARG A 62 4.513 -7.451 6.124 1.00 0.00 C ATOM 973 NE ARG A 62 5.523 -7.364 7.191 1.00 0.00 N ATOM 974 CZ ARG A 62 5.356 -7.541 8.494 1.00 0.00 C ATOM 975 NH1 ARG A 62 4.206 -7.911 9.019 1.00 0.00 N ATOM 976 NH2 ARG A 62 6.383 -7.342 9.289 1.00 0.00 N ATOM 0 H ARG A 62 5.994 -7.836 2.357 1.00 0.00 H new ATOM 0 HA ARG A 62 3.703 -8.881 3.729 1.00 0.00 H new ATOM 0 HB2 ARG A 62 4.515 -6.052 2.926 1.00 0.00 H new ATOM 0 HB3 ARG A 62 3.144 -6.430 3.950 1.00 0.00 H new ATOM 0 HG2 ARG A 62 6.012 -7.157 4.624 1.00 0.00 H new ATOM 0 HG3 ARG A 62 5.228 -5.682 5.153 1.00 0.00 H new ATOM 0 HD2 ARG A 62 3.576 -7.001 6.452 1.00 0.00 H new ATOM 0 HD3 ARG A 62 4.301 -8.494 5.887 1.00 0.00 H new ATOM 0 HE ARG A 62 6.471 -7.139 6.890 1.00 0.00 H new ATOM 0 HH11 ARG A 62 3.399 -8.073 8.417 1.00 0.00 H new ATOM 0 HH12 ARG A 62 4.122 -8.035 10.028 1.00 0.00 H new ATOM 0 HH21 ARG A 62 7.282 -7.058 8.900 1.00 0.00 H new ATOM 0 HH22 ARG A 62 6.281 -7.471 10.296 1.00 0.00 H new ATOM 990 N PRO A 63 1.670 -8.158 2.155 1.00 0.00 N ATOM 991 CA PRO A 63 0.596 -8.062 1.160 1.00 0.00 C ATOM 992 C PRO A 63 0.282 -6.643 0.625 1.00 0.00 C ATOM 993 O PRO A 63 -0.755 -6.463 -0.011 1.00 0.00 O ATOM 994 CB PRO A 63 -0.615 -8.731 1.829 1.00 0.00 C ATOM 995 CG PRO A 63 -0.383 -8.540 3.322 1.00 0.00 C ATOM 996 CD PRO A 63 1.135 -8.559 3.456 1.00 0.00 C ATOM 0 HA PRO A 63 0.906 -8.559 0.241 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -1.549 -8.269 1.511 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -0.678 -9.788 1.570 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -0.805 -7.599 3.676 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -0.847 -9.336 3.905 1.00 0.00 H new ATOM 0 HD2 PRO A 63 1.464 -7.875 4.239 1.00 0.00 H new ATOM 0 HD3 PRO A 63 1.488 -9.553 3.731 1.00 0.00 H new ATOM 1004 N CYS A 64 1.128 -5.623 0.879 1.00 0.00 N ATOM 1005 CA CYS A 64 1.094 -4.271 0.266 1.00 0.00 C ATOM 1006 C CYS A 64 -0.031 -3.356 0.811 1.00 0.00 C ATOM 1007 O CYS A 64 0.109 -2.131 0.819 1.00 0.00 O ATOM 1008 CB CYS A 64 1.045 -4.427 -1.267 1.00 0.00 C ATOM 1009 SG CYS A 64 1.601 -2.925 -2.107 1.00 0.00 S ATOM 0 H CYS A 64 1.891 -5.720 1.549 1.00 0.00 H new ATOM 0 HA CYS A 64 2.007 -3.748 0.551 1.00 0.00 H new ATOM 0 HB2 CYS A 64 1.672 -5.266 -1.568 1.00 0.00 H new ATOM 0 HB3 CYS A 64 0.027 -4.662 -1.577 1.00 0.00 H new ATOM 0 HG CYS A 64 1.545 -3.102 -3.394 1.00 0.00 H new ATOM 1015 N THR A 65 -1.096 -3.956 1.356 1.00 0.00 N ATOM 1016 CA THR A 65 -2.230 -3.318 2.050 1.00 0.00 C ATOM 1017 C THR A 65 -1.829 -2.602 3.338 1.00 0.00 C ATOM 1018 O THR A 65 -2.571 -1.726 3.782 1.00 0.00 O ATOM 1019 CB THR A 65 -3.285 -4.377 2.396 1.00 0.00 C ATOM 1020 OG1 THR A 65 -2.646 -5.420 3.108 1.00 0.00 O ATOM 1021 CG2 THR A 65 -3.950 -4.972 1.154 1.00 0.00 C ATOM 0 H THR A 65 -1.199 -4.970 1.324 1.00 0.00 H new ATOM 0 HA THR A 65 -2.624 -2.568 1.364 1.00 0.00 H new ATOM 0 HB THR A 65 -4.064 -3.895 2.987 1.00 0.00 H new ATOM 0 HG1 THR A 65 -3.304 -6.108 3.341 1.00 0.00 H new ATOM 0 HG21 THR A 65 -4.687 -5.715 1.457 1.00 0.00 H new ATOM 0 HG22 THR A 65 -4.443 -4.180 0.591 1.00 0.00 H new ATOM 0 HG23 THR A 65 -3.194 -5.445 0.528 1.00 0.00 H new ATOM 1029 N CYS A 66 -0.683 -2.970 3.937 1.00 0.00 N ATOM 1030 CA CYS A 66 -0.167 -2.396 5.191 1.00 0.00 C ATOM 1031 C CYS A 66 -1.135 -2.574 6.386 1.00 0.00 C ATOM 1032 O CYS A 66 -1.222 -1.717 7.265 1.00 0.00 O ATOM 1033 CB CYS A 66 0.279 -0.945 4.944 1.00 0.00 C ATOM 1034 SG CYS A 66 1.680 -0.932 3.788 1.00 0.00 S ATOM 0 H CYS A 66 -0.075 -3.693 3.552 1.00 0.00 H new ATOM 0 HA CYS A 66 0.714 -2.959 5.500 1.00 0.00 H new ATOM 0 HB2 CYS A 66 -0.548 -0.363 4.537 1.00 0.00 H new ATOM 0 HB3 CYS A 66 0.566 -0.476 5.885 1.00 0.00 H new ATOM 0 HG CYS A 66 1.627 0.140 3.055 1.00 0.00 H new ATOM 1040 N ASP A 67 -1.830 -3.717 6.443 1.00 0.00 N ATOM 1041 CA ASP A 67 -2.756 -4.110 7.520 1.00 0.00 C ATOM 1042 C ASP A 67 -2.114 -4.004 8.914 1.00 0.00 C ATOM 1043 O ASP A 67 -2.750 -3.578 9.878 1.00 0.00 O ATOM 1044 CB ASP A 67 -3.215 -5.551 7.252 1.00 0.00 C ATOM 1045 CG ASP A 67 -4.075 -6.113 8.396 1.00 0.00 C ATOM 1046 OD1 ASP A 67 -5.257 -5.715 8.513 1.00 0.00 O ATOM 1047 OD2 ASP A 67 -3.569 -6.964 9.167 1.00 0.00 O ATOM 0 H ASP A 67 -1.762 -4.424 5.711 1.00 0.00 H new ATOM 0 HA ASP A 67 -3.604 -3.425 7.519 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -3.785 -5.581 6.323 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -2.342 -6.188 7.111 1.00 0.00 H new ATOM 1052 N PHE A 68 -0.821 -4.329 9.000 1.00 0.00 N ATOM 1053 CA PHE A 68 -0.030 -4.274 10.225 1.00 0.00 C ATOM 1054 C PHE A 68 0.194 -2.842 10.767 1.00 0.00 C ATOM 1055 O PHE A 68 0.621 -2.692 11.914 1.00 0.00 O ATOM 1056 CB PHE A 68 1.282 -5.045 9.999 1.00 0.00 C ATOM 1057 CG PHE A 68 2.194 -4.482 8.922 1.00 0.00 C ATOM 1058 CD1 PHE A 68 1.991 -4.808 7.566 1.00 0.00 C ATOM 1059 CD2 PHE A 68 3.262 -3.640 9.281 1.00 0.00 C ATOM 1060 CE1 PHE A 68 2.833 -4.271 6.575 1.00 0.00 C ATOM 1061 CE2 PHE A 68 4.112 -3.122 8.291 1.00 0.00 C ATOM 1062 CZ PHE A 68 3.894 -3.426 6.938 1.00 0.00 C ATOM 0 H PHE A 68 -0.283 -4.647 8.194 1.00 0.00 H new ATOM 0 HA PHE A 68 -0.599 -4.757 11.020 1.00 0.00 H new ATOM 0 HB2 PHE A 68 1.833 -5.073 10.939 1.00 0.00 H new ATOM 0 HB3 PHE A 68 1.038 -6.076 9.742 1.00 0.00 H new ATOM 0 HD1 PHE A 68 1.186 -5.472 7.287 1.00 0.00 H new ATOM 0 HD2 PHE A 68 3.428 -3.392 10.319 1.00 0.00 H new ATOM 0 HE1 PHE A 68 2.663 -4.509 5.535 1.00 0.00 H new ATOM 0 HE2 PHE A 68 4.938 -2.486 8.572 1.00 0.00 H new ATOM 0 HZ PHE A 68 4.540 -3.011 6.179 1.00 0.00 H new ATOM 1072 N LEU A 69 -0.128 -1.796 9.988 1.00 0.00 N ATOM 1073 CA LEU A 69 -0.133 -0.387 10.424 1.00 0.00 C ATOM 1074 C LEU A 69 -1.506 0.103 10.910 1.00 0.00 C ATOM 1075 O LEU A 69 -1.630 1.259 11.313 1.00 0.00 O ATOM 1076 CB LEU A 69 0.352 0.526 9.278 1.00 0.00 C ATOM 1077 CG LEU A 69 1.727 0.196 8.670 1.00 0.00 C ATOM 1078 CD1 LEU A 69 2.106 1.339 7.716 1.00 0.00 C ATOM 1079 CD2 LEU A 69 2.805 0.009 9.749 1.00 0.00 C ATOM 0 H LEU A 69 -0.399 -1.909 9.011 1.00 0.00 H new ATOM 0 HA LEU A 69 0.546 -0.334 11.275 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -0.390 0.495 8.480 1.00 0.00 H new ATOM 0 HB3 LEU A 69 0.380 1.551 9.647 1.00 0.00 H new ATOM 0 HG LEU A 69 1.665 -0.750 8.132 1.00 0.00 H new ATOM 0 HD11 LEU A 69 3.078 1.132 7.269 1.00 0.00 H new ATOM 0 HD12 LEU A 69 1.355 1.421 6.930 1.00 0.00 H new ATOM 0 HD13 LEU A 69 2.154 2.276 8.271 1.00 0.00 H new ATOM 0 HD21 LEU A 69 3.759 -0.222 9.274 1.00 0.00 H new ATOM 0 HD22 LEU A 69 2.902 0.926 10.330 1.00 0.00 H new ATOM 0 HD23 LEU A 69 2.520 -0.810 10.410 1.00 0.00 H new ATOM 1091 N HIS A 70 -2.555 -0.720 10.843 1.00 0.00 N ATOM 1092 CA HIS A 70 -3.898 -0.319 11.252 1.00 0.00 C ATOM 1093 C HIS A 70 -4.020 -0.345 12.792 1.00 0.00 C ATOM 1094 O HIS A 70 -3.861 -1.393 13.429 1.00 0.00 O ATOM 1095 CB HIS A 70 -4.941 -1.221 10.574 1.00 0.00 C ATOM 1096 CG HIS A 70 -4.974 -1.183 9.057 1.00 0.00 C ATOM 1097 ND1 HIS A 70 -3.960 -0.829 8.189 1.00 0.00 N ATOM 1098 CD2 HIS A 70 -6.051 -1.515 8.278 1.00 0.00 C ATOM 1099 CE1 HIS A 70 -4.414 -0.958 6.932 1.00 0.00 C ATOM 1100 NE2 HIS A 70 -5.688 -1.377 6.933 1.00 0.00 N ATOM 0 H HIS A 70 -2.495 -1.680 10.504 1.00 0.00 H new ATOM 0 HA HIS A 70 -4.087 0.705 10.931 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -4.760 -2.249 10.887 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -5.927 -0.943 10.945 1.00 0.00 H new ATOM 0 HD1 HIS A 70 -3.025 -0.522 8.457 1.00 0.00 H new ATOM 0 HD2 HIS A 70 -7.018 -1.830 8.641 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -3.834 -0.753 6.044 1.00 0.00 H new ATOM 1108 N GLY A 71 -4.305 0.820 13.385 1.00 0.00 N ATOM 1109 CA GLY A 71 -4.497 1.036 14.825 1.00 0.00 C ATOM 1110 C GLY A 71 -5.968 1.296 15.193 1.00 0.00 C ATOM 1111 O GLY A 71 -6.857 1.032 14.377 1.00 0.00 O ATOM 0 H GLY A 71 -4.413 1.680 12.848 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -4.139 0.163 15.371 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -3.891 1.883 15.146 1.00 0.00 H new ATOM 1115 N PRO A 72 -6.248 1.847 16.393 1.00 0.00 N ATOM 1116 CA PRO A 72 -7.609 2.157 16.839 1.00 0.00 C ATOM 1117 C PRO A 72 -8.254 3.317 16.056 1.00 0.00 C ATOM 1118 O PRO A 72 -9.481 3.395 15.998 1.00 0.00 O ATOM 1119 CB PRO A 72 -7.480 2.483 18.331 1.00 0.00 C ATOM 1120 CG PRO A 72 -6.055 3.019 18.461 1.00 0.00 C ATOM 1121 CD PRO A 72 -5.284 2.189 17.435 1.00 0.00 C ATOM 0 HA PRO A 72 -8.275 1.313 16.659 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -8.217 3.223 18.645 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -7.633 1.598 18.949 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -6.002 4.085 18.240 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -5.662 2.883 19.469 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -4.448 2.755 17.024 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -4.867 1.291 17.892 1.00 0.00 H new ATOM 1129 N ARG A 73 -7.451 4.195 15.430 1.00 0.00 N ATOM 1130 CA ARG A 73 -7.934 5.310 14.599 1.00 0.00 C ATOM 1131 C ARG A 73 -8.226 4.902 13.141 1.00 0.00 C ATOM 1132 O ARG A 73 -8.816 5.689 12.395 1.00 0.00 O ATOM 1133 CB ARG A 73 -6.909 6.460 14.640 1.00 0.00 C ATOM 1134 CG ARG A 73 -6.790 7.079 16.043 1.00 0.00 C ATOM 1135 CD ARG A 73 -5.791 8.242 16.057 1.00 0.00 C ATOM 1136 NE ARG A 73 -5.727 8.882 17.385 1.00 0.00 N ATOM 1137 CZ ARG A 73 -5.012 8.496 18.439 1.00 0.00 C ATOM 1138 NH1 ARG A 73 -4.238 7.429 18.418 1.00 0.00 N ATOM 1139 NH2 ARG A 73 -5.073 9.194 19.552 1.00 0.00 N ATOM 0 H ARG A 73 -6.434 4.149 15.488 1.00 0.00 H new ATOM 0 HA ARG A 73 -8.886 5.636 15.019 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -5.934 6.088 14.325 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -7.201 7.231 13.928 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -7.768 7.433 16.371 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -6.473 6.316 16.754 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -4.802 7.877 15.779 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -6.080 8.981 15.309 1.00 0.00 H new ATOM 0 HE ARG A 73 -6.298 9.718 17.510 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -4.171 6.864 17.571 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -3.706 7.168 19.249 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -5.665 10.023 19.602 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -4.529 8.906 20.365 1.00 0.00 H new ATOM 1153 N THR A 74 -7.795 3.705 12.710 1.00 0.00 N ATOM 1154 CA THR A 74 -7.880 3.236 11.314 1.00 0.00 C ATOM 1155 C THR A 74 -9.303 2.794 10.963 1.00 0.00 C ATOM 1156 O THR A 74 -10.073 2.388 11.832 1.00 0.00 O ATOM 1157 CB THR A 74 -6.835 2.146 11.039 1.00 0.00 C ATOM 1158 OG1 THR A 74 -5.593 2.608 11.511 1.00 0.00 O ATOM 1159 CG2 THR A 74 -6.684 1.880 9.543 1.00 0.00 C ATOM 0 H THR A 74 -7.368 3.021 13.335 1.00 0.00 H new ATOM 0 HA THR A 74 -7.646 4.071 10.654 1.00 0.00 H new ATOM 0 HB THR A 74 -7.155 1.228 11.533 1.00 0.00 H new ATOM 0 HG1 THR A 74 -5.185 3.193 10.839 1.00 0.00 H new ATOM 0 HG21 THR A 74 -5.936 1.103 9.385 1.00 0.00 H new ATOM 0 HG22 THR A 74 -7.640 1.553 9.133 1.00 0.00 H new ATOM 0 HG23 THR A 74 -6.368 2.795 9.041 1.00 0.00 H new ATOM 1167 N GLN A 75 -9.657 2.910 9.679 1.00 0.00 N ATOM 1168 CA GLN A 75 -11.020 2.743 9.163 1.00 0.00 C ATOM 1169 C GLN A 75 -11.081 1.476 8.308 1.00 0.00 C ATOM 1170 O GLN A 75 -10.564 1.457 7.191 1.00 0.00 O ATOM 1171 CB GLN A 75 -11.513 3.988 8.380 1.00 0.00 C ATOM 1172 CG GLN A 75 -10.475 5.086 8.108 1.00 0.00 C ATOM 1173 CD GLN A 75 -11.132 6.394 7.674 1.00 0.00 C ATOM 1174 OE1 GLN A 75 -11.543 6.584 6.536 1.00 0.00 O ATOM 1175 NE2 GLN A 75 -11.275 7.330 8.589 1.00 0.00 N ATOM 0 H GLN A 75 -8.982 3.130 8.947 1.00 0.00 H new ATOM 0 HA GLN A 75 -11.699 2.638 10.009 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -11.912 3.652 7.423 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -12.341 4.432 8.933 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -9.884 5.258 9.007 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -9.786 4.751 7.333 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -10.933 7.173 9.537 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -11.728 8.212 8.350 1.00 0.00 H new ATOM 1184 N ARG A 76 -11.751 0.421 8.785 1.00 0.00 N ATOM 1185 CA ARG A 76 -11.870 -0.840 8.033 1.00 0.00 C ATOM 1186 C ARG A 76 -12.658 -0.685 6.720 1.00 0.00 C ATOM 1187 O ARG A 76 -12.376 -1.394 5.757 1.00 0.00 O ATOM 1188 CB ARG A 76 -12.440 -1.949 8.942 1.00 0.00 C ATOM 1189 CG ARG A 76 -11.417 -2.442 9.986 1.00 0.00 C ATOM 1190 CD ARG A 76 -10.295 -3.276 9.349 1.00 0.00 C ATOM 1191 NE ARG A 76 -9.257 -3.648 10.327 1.00 0.00 N ATOM 1192 CZ ARG A 76 -8.100 -4.235 10.035 1.00 0.00 C ATOM 1193 NH1 ARG A 76 -7.786 -4.590 8.808 1.00 0.00 N ATOM 1194 NH2 ARG A 76 -7.216 -4.478 10.975 1.00 0.00 N ATOM 0 H ARG A 76 -12.221 0.412 9.690 1.00 0.00 H new ATOM 0 HA ARG A 76 -10.868 -1.138 7.724 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -13.326 -1.574 9.455 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -12.760 -2.790 8.327 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -10.983 -1.584 10.500 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -11.929 -3.040 10.740 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -10.720 -4.179 8.910 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -9.840 -2.710 8.536 1.00 0.00 H new ATOM 0 HE ARG A 76 -9.441 -3.438 11.308 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -8.439 -4.417 8.044 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -6.889 -5.038 8.620 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -7.413 -4.216 11.941 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -6.332 -4.929 10.739 1.00 0.00 H new ATOM 1208 N ARG A 77 -13.534 0.326 6.623 1.00 0.00 N ATOM 1209 CA ARG A 77 -14.181 0.750 5.365 1.00 0.00 C ATOM 1210 C ARG A 77 -13.158 1.161 4.291 1.00 0.00 C ATOM 1211 O ARG A 77 -13.306 0.791 3.129 1.00 0.00 O ATOM 1212 CB ARG A 77 -15.167 1.895 5.681 1.00 0.00 C ATOM 1213 CG ARG A 77 -16.113 2.267 4.522 1.00 0.00 C ATOM 1214 CD ARG A 77 -17.100 1.153 4.139 1.00 0.00 C ATOM 1215 NE ARG A 77 -18.021 0.839 5.250 1.00 0.00 N ATOM 1216 CZ ARG A 77 -18.676 -0.301 5.453 1.00 0.00 C ATOM 1217 NH1 ARG A 77 -18.586 -1.322 4.626 1.00 0.00 N ATOM 1218 NH2 ARG A 77 -19.445 -0.425 6.513 1.00 0.00 N ATOM 0 H ARG A 77 -13.820 0.883 7.428 1.00 0.00 H new ATOM 0 HA ARG A 77 -14.725 -0.096 4.945 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -15.767 1.611 6.545 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -14.597 2.779 5.965 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -16.676 3.158 4.798 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -15.516 2.526 3.648 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -17.674 1.459 3.265 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -16.547 0.256 3.859 1.00 0.00 H new ATOM 0 HE ARG A 77 -18.171 1.577 5.937 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -17.998 -1.255 3.795 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -19.104 -2.180 4.816 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -19.535 0.349 7.171 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -19.951 -1.295 6.677 1.00 0.00 H new ATOM 1232 N ALA A 78 -12.091 1.865 4.682 1.00 0.00 N ATOM 1233 CA ALA A 78 -10.974 2.267 3.821 1.00 0.00 C ATOM 1234 C ALA A 78 -9.998 1.108 3.558 1.00 0.00 C ATOM 1235 O ALA A 78 -9.609 0.880 2.414 1.00 0.00 O ATOM 1236 CB ALA A 78 -10.281 3.457 4.494 1.00 0.00 C ATOM 0 H ALA A 78 -11.977 2.183 5.645 1.00 0.00 H new ATOM 0 HA ALA A 78 -11.347 2.556 2.839 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -9.442 3.784 3.880 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -10.991 4.277 4.605 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -9.916 3.158 5.477 1.00 0.00 H new ATOM 1242 N ALA A 79 -9.672 0.309 4.581 1.00 0.00 N ATOM 1243 CA ALA A 79 -8.842 -0.899 4.433 1.00 0.00 C ATOM 1244 C ALA A 79 -9.400 -1.861 3.365 1.00 0.00 C ATOM 1245 O ALA A 79 -8.654 -2.444 2.577 1.00 0.00 O ATOM 1246 CB ALA A 79 -8.770 -1.595 5.795 1.00 0.00 C ATOM 0 H ALA A 79 -9.976 0.480 5.539 1.00 0.00 H new ATOM 0 HA ALA A 79 -7.847 -0.606 4.096 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -8.160 -2.494 5.712 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -8.324 -0.920 6.525 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -9.775 -1.867 6.118 1.00 0.00 H new ATOM 1252 N ALA A 80 -10.732 -1.952 3.304 1.00 0.00 N ATOM 1253 CA ALA A 80 -11.478 -2.722 2.315 1.00 0.00 C ATOM 1254 C ALA A 80 -11.279 -2.160 0.910 1.00 0.00 C ATOM 1255 O ALA A 80 -10.960 -2.910 -0.007 1.00 0.00 O ATOM 1256 CB ALA A 80 -12.958 -2.668 2.693 1.00 0.00 C ATOM 0 H ALA A 80 -11.339 -1.472 3.969 1.00 0.00 H new ATOM 0 HA ALA A 80 -11.117 -3.751 2.310 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -13.540 -3.237 1.968 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -13.096 -3.097 3.686 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -13.295 -1.632 2.695 1.00 0.00 H new ATOM 1262 N GLN A 81 -11.413 -0.840 0.740 1.00 0.00 N ATOM 1263 CA GLN A 81 -11.209 -0.204 -0.556 1.00 0.00 C ATOM 1264 C GLN A 81 -9.771 -0.414 -1.053 1.00 0.00 C ATOM 1265 O GLN A 81 -9.603 -0.692 -2.233 1.00 0.00 O ATOM 1266 CB GLN A 81 -11.572 1.284 -0.498 1.00 0.00 C ATOM 1267 CG GLN A 81 -13.012 1.648 -0.097 1.00 0.00 C ATOM 1268 CD GLN A 81 -14.076 0.589 -0.404 1.00 0.00 C ATOM 1269 OE1 GLN A 81 -14.376 0.277 -1.549 1.00 0.00 O ATOM 1270 NE2 GLN A 81 -14.665 -0.014 0.610 1.00 0.00 N ATOM 0 H GLN A 81 -11.663 -0.194 1.489 1.00 0.00 H new ATOM 0 HA GLN A 81 -11.876 -0.679 -1.275 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -10.894 1.769 0.205 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -11.376 1.717 -1.479 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -13.030 1.855 0.973 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -13.288 2.572 -0.605 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -14.420 0.241 1.567 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -15.365 -0.735 0.437 1.00 0.00 H new ATOM 1279 N ILE A 82 -8.741 -0.375 -0.192 1.00 0.00 N ATOM 1280 CA ILE A 82 -7.360 -0.724 -0.600 1.00 0.00 C ATOM 1281 C ILE A 82 -7.254 -2.192 -1.043 1.00 0.00 C ATOM 1282 O ILE A 82 -6.676 -2.465 -2.093 1.00 0.00 O ATOM 1283 CB ILE A 82 -6.351 -0.375 0.521 1.00 0.00 C ATOM 1284 CG1 ILE A 82 -6.319 1.156 0.703 1.00 0.00 C ATOM 1285 CG2 ILE A 82 -4.931 -0.882 0.197 1.00 0.00 C ATOM 1286 CD1 ILE A 82 -5.584 1.633 1.952 1.00 0.00 C ATOM 0 H ILE A 82 -8.832 -0.107 0.788 1.00 0.00 H new ATOM 0 HA ILE A 82 -7.102 -0.120 -1.470 1.00 0.00 H new ATOM 0 HB ILE A 82 -6.676 -0.867 1.437 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -5.848 1.603 -0.172 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -7.344 1.526 0.737 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -4.255 -0.616 1.010 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -4.949 -1.966 0.081 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -4.583 -0.424 -0.729 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -5.612 2.722 1.997 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -6.066 1.220 2.838 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -4.547 1.298 1.914 1.00 0.00 H new ATOM 1298 N ALA A 83 -7.832 -3.136 -0.294 1.00 0.00 N ATOM 1299 CA ALA A 83 -7.811 -4.560 -0.648 1.00 0.00 C ATOM 1300 C ALA A 83 -8.591 -4.865 -1.944 1.00 0.00 C ATOM 1301 O ALA A 83 -8.145 -5.672 -2.759 1.00 0.00 O ATOM 1302 CB ALA A 83 -8.372 -5.355 0.538 1.00 0.00 C ATOM 0 H ALA A 83 -8.328 -2.935 0.575 1.00 0.00 H new ATOM 0 HA ALA A 83 -6.782 -4.856 -0.851 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -8.367 -6.418 0.298 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -7.755 -5.178 1.419 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -9.394 -5.034 0.741 1.00 0.00 H new ATOM 1308 N GLN A 84 -9.740 -4.216 -2.154 1.00 0.00 N ATOM 1309 CA GLN A 84 -10.548 -4.351 -3.368 1.00 0.00 C ATOM 1310 C GLN A 84 -9.947 -3.580 -4.556 1.00 0.00 C ATOM 1311 O GLN A 84 -10.149 -3.999 -5.695 1.00 0.00 O ATOM 1312 CB GLN A 84 -12.004 -3.916 -3.103 1.00 0.00 C ATOM 1313 CG GLN A 84 -12.899 -5.016 -2.495 1.00 0.00 C ATOM 1314 CD GLN A 84 -12.801 -5.199 -0.980 1.00 0.00 C ATOM 1315 OE1 GLN A 84 -13.562 -4.622 -0.213 1.00 0.00 O ATOM 1316 NE2 GLN A 84 -11.916 -6.046 -0.488 1.00 0.00 N ATOM 0 H GLN A 84 -10.141 -3.571 -1.473 1.00 0.00 H new ATOM 0 HA GLN A 84 -10.546 -5.406 -3.643 1.00 0.00 H new ATOM 0 HB2 GLN A 84 -11.997 -3.058 -2.431 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -12.447 -3.582 -4.041 1.00 0.00 H new ATOM 0 HG2 GLN A 84 -13.936 -4.794 -2.748 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -12.650 -5.964 -2.972 1.00 0.00 H new ATOM 0 HE21 GLN A 84 -11.275 -6.535 -1.113 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -11.873 -6.212 0.517 1.00 0.00 H new ATOM 1325 N ALA A 85 -9.159 -2.516 -4.340 1.00 0.00 N ATOM 1326 CA ALA A 85 -8.473 -1.798 -5.419 1.00 0.00 C ATOM 1327 C ALA A 85 -7.526 -2.716 -6.228 1.00 0.00 C ATOM 1328 O ALA A 85 -7.351 -2.523 -7.431 1.00 0.00 O ATOM 1329 CB ALA A 85 -7.716 -0.602 -4.848 1.00 0.00 C ATOM 0 H ALA A 85 -8.981 -2.131 -3.412 1.00 0.00 H new ATOM 0 HA ALA A 85 -9.233 -1.443 -6.115 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -7.209 -0.073 -5.655 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -8.418 0.072 -4.357 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -6.980 -0.950 -4.123 1.00 0.00 H new ATOM 1335 N LEU A 86 -6.966 -3.749 -5.578 1.00 0.00 N ATOM 1336 CA LEU A 86 -6.109 -4.787 -6.177 1.00 0.00 C ATOM 1337 C LEU A 86 -6.860 -5.712 -7.160 1.00 0.00 C ATOM 1338 O LEU A 86 -6.226 -6.457 -7.907 1.00 0.00 O ATOM 1339 CB LEU A 86 -5.477 -5.635 -5.054 1.00 0.00 C ATOM 1340 CG LEU A 86 -4.714 -4.861 -3.959 1.00 0.00 C ATOM 1341 CD1 LEU A 86 -4.297 -5.827 -2.843 1.00 0.00 C ATOM 1342 CD2 LEU A 86 -3.480 -4.131 -4.507 1.00 0.00 C ATOM 0 H LEU A 86 -7.104 -3.890 -4.577 1.00 0.00 H new ATOM 0 HA LEU A 86 -5.344 -4.271 -6.756 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -6.268 -6.213 -4.576 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -4.791 -6.349 -5.510 1.00 0.00 H new ATOM 0 HG LEU A 86 -5.388 -4.100 -3.566 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -3.758 -5.279 -2.070 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -5.185 -6.287 -2.409 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -3.651 -6.602 -3.255 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -2.980 -3.602 -3.696 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -2.794 -4.855 -4.946 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -3.789 -3.416 -5.270 1.00 0.00 H new ATOM 1354 N LEU A 87 -8.199 -5.683 -7.173 1.00 0.00 N ATOM 1355 CA LEU A 87 -9.034 -6.412 -8.138 1.00 0.00 C ATOM 1356 C LEU A 87 -9.292 -5.601 -9.424 1.00 0.00 C ATOM 1357 O LEU A 87 -9.764 -6.162 -10.416 1.00 0.00 O ATOM 1358 CB LEU A 87 -10.370 -6.804 -7.469 1.00 0.00 C ATOM 1359 CG LEU A 87 -10.251 -7.592 -6.146 1.00 0.00 C ATOM 1360 CD1 LEU A 87 -11.653 -7.842 -5.574 1.00 0.00 C ATOM 1361 CD2 LEU A 87 -9.518 -8.929 -6.332 1.00 0.00 C ATOM 0 H LEU A 87 -8.743 -5.142 -6.501 1.00 0.00 H new ATOM 0 HA LEU A 87 -8.492 -7.309 -8.437 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -10.940 -5.895 -7.279 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -10.947 -7.401 -8.175 1.00 0.00 H new ATOM 0 HG LEU A 87 -9.662 -6.992 -5.452 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -11.571 -8.398 -4.640 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -12.145 -6.888 -5.386 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -12.240 -8.418 -6.289 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -9.459 -9.448 -5.375 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -10.063 -9.546 -7.046 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -8.512 -8.743 -6.707 1.00 0.00 H new ATOM 1373 N GLY A 88 -9.000 -4.293 -9.417 1.00 0.00 N ATOM 1374 CA GLY A 88 -9.267 -3.363 -10.520 1.00 0.00 C ATOM 1375 C GLY A 88 -8.106 -3.240 -11.511 1.00 0.00 C ATOM 1376 O GLY A 88 -6.935 -3.274 -11.131 1.00 0.00 O ATOM 0 H GLY A 88 -8.557 -3.840 -8.617 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -10.157 -3.693 -11.055 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -9.489 -2.378 -10.109 1.00 0.00 H new ATOM 1380 N ALA A 89 -8.444 -3.032 -12.788 1.00 0.00 N ATOM 1381 CA ALA A 89 -7.495 -2.745 -13.873 1.00 0.00 C ATOM 1382 C ALA A 89 -7.157 -1.245 -14.023 1.00 0.00 C ATOM 1383 O ALA A 89 -6.288 -0.885 -14.817 1.00 0.00 O ATOM 1384 CB ALA A 89 -8.111 -3.290 -15.167 1.00 0.00 C ATOM 0 H ALA A 89 -9.413 -3.059 -13.106 1.00 0.00 H new ATOM 0 HA ALA A 89 -6.545 -3.227 -13.641 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -7.436 -3.097 -16.001 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -8.270 -4.364 -15.070 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -9.066 -2.797 -15.351 1.00 0.00 H new ATOM 1390 N GLU A 90 -7.860 -0.378 -13.287 1.00 0.00 N ATOM 1391 CA GLU A 90 -7.771 1.086 -13.341 1.00 0.00 C ATOM 1392 C GLU A 90 -7.312 1.673 -11.990 1.00 0.00 C ATOM 1393 O GLU A 90 -7.351 1.004 -10.954 1.00 0.00 O ATOM 1394 CB GLU A 90 -9.140 1.657 -13.753 1.00 0.00 C ATOM 1395 CG GLU A 90 -9.486 1.341 -15.214 1.00 0.00 C ATOM 1396 CD GLU A 90 -10.827 1.975 -15.609 1.00 0.00 C ATOM 1397 OE1 GLU A 90 -11.886 1.321 -15.446 1.00 0.00 O ATOM 1398 OE2 GLU A 90 -10.837 3.133 -16.093 1.00 0.00 O ATOM 0 H GLU A 90 -8.544 -0.696 -12.600 1.00 0.00 H new ATOM 0 HA GLU A 90 -7.022 1.368 -14.081 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -9.913 1.248 -13.102 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -9.140 2.737 -13.607 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -8.697 1.713 -15.867 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -9.534 0.261 -15.355 1.00 0.00 H new ATOM 1405 N GLU A 91 -6.848 2.927 -12.009 1.00 0.00 N ATOM 1406 CA GLU A 91 -6.277 3.624 -10.847 1.00 0.00 C ATOM 1407 C GLU A 91 -7.300 3.849 -9.722 1.00 0.00 C ATOM 1408 O GLU A 91 -8.467 4.172 -9.973 1.00 0.00 O ATOM 1409 CB GLU A 91 -5.699 4.983 -11.286 1.00 0.00 C ATOM 1410 CG GLU A 91 -4.483 4.865 -12.212 1.00 0.00 C ATOM 1411 CD GLU A 91 -4.206 6.201 -12.915 1.00 0.00 C ATOM 1412 OE1 GLU A 91 -3.590 7.100 -12.298 1.00 0.00 O ATOM 1413 OE2 GLU A 91 -4.610 6.362 -14.092 1.00 0.00 O ATOM 0 H GLU A 91 -6.858 3.501 -12.852 1.00 0.00 H new ATOM 0 HA GLU A 91 -5.491 2.982 -10.449 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -6.478 5.552 -11.794 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -5.416 5.551 -10.400 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -3.608 4.563 -11.636 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -4.659 4.087 -12.955 1.00 0.00 H new ATOM 1420 N ARG A 92 -6.829 3.735 -8.472 1.00 0.00 N ATOM 1421 CA ARG A 92 -7.608 3.981 -7.249 1.00 0.00 C ATOM 1422 C ARG A 92 -6.784 4.721 -6.199 1.00 0.00 C ATOM 1423 O ARG A 92 -5.680 4.297 -5.860 1.00 0.00 O ATOM 1424 CB ARG A 92 -8.085 2.646 -6.645 1.00 0.00 C ATOM 1425 CG ARG A 92 -9.311 2.022 -7.329 1.00 0.00 C ATOM 1426 CD ARG A 92 -10.569 2.886 -7.162 1.00 0.00 C ATOM 1427 NE ARG A 92 -11.774 2.157 -7.599 1.00 0.00 N ATOM 1428 CZ ARG A 92 -13.036 2.526 -7.411 1.00 0.00 C ATOM 1429 NH1 ARG A 92 -13.356 3.649 -6.798 1.00 0.00 N ATOM 1430 NH2 ARG A 92 -14.012 1.758 -7.846 1.00 0.00 N ATOM 0 H ARG A 92 -5.866 3.461 -8.278 1.00 0.00 H new ATOM 0 HA ARG A 92 -8.462 4.598 -7.528 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -7.263 1.932 -6.687 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -8.317 2.804 -5.592 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -9.103 1.887 -8.390 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -9.494 1.032 -6.911 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -10.676 3.180 -6.118 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -10.464 3.803 -7.742 1.00 0.00 H new ATOM 0 HE ARG A 92 -11.623 1.280 -8.097 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -12.623 4.267 -6.450 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -14.337 3.900 -6.672 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -13.798 0.883 -8.325 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -14.983 2.037 -7.704 1.00 0.00 H new ATOM 1444 N LYS A 93 -7.368 5.769 -5.620 1.00 0.00 N ATOM 1445 CA LYS A 93 -6.879 6.460 -4.424 1.00 0.00 C ATOM 1446 C LYS A 93 -7.830 6.193 -3.239 1.00 0.00 C ATOM 1447 O LYS A 93 -9.046 6.334 -3.382 1.00 0.00 O ATOM 1448 CB LYS A 93 -6.752 7.966 -4.713 1.00 0.00 C ATOM 1449 CG LYS A 93 -5.948 8.267 -5.994 1.00 0.00 C ATOM 1450 CD LYS A 93 -5.444 9.715 -6.059 1.00 0.00 C ATOM 1451 CE LYS A 93 -6.591 10.722 -5.883 1.00 0.00 C ATOM 1452 NZ LYS A 93 -6.134 12.128 -6.070 1.00 0.00 N ATOM 0 H LYS A 93 -8.229 6.177 -5.984 1.00 0.00 H new ATOM 0 HA LYS A 93 -5.893 6.080 -4.156 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -7.748 8.398 -4.806 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -6.271 8.454 -3.865 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -5.096 7.589 -6.050 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -6.573 8.066 -6.864 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -4.696 9.876 -5.283 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -4.952 9.887 -7.016 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -7.382 10.500 -6.600 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -7.022 10.610 -4.888 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -6.939 12.774 -5.943 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -5.398 12.350 -5.370 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -5.746 12.242 -7.028 1.00 0.00 H new ATOM 1466 N VAL A 94 -7.289 5.807 -2.082 1.00 0.00 N ATOM 1467 CA VAL A 94 -8.042 5.556 -0.830 1.00 0.00 C ATOM 1468 C VAL A 94 -7.327 6.268 0.317 1.00 0.00 C ATOM 1469 O VAL A 94 -6.099 6.236 0.391 1.00 0.00 O ATOM 1470 CB VAL A 94 -8.210 4.042 -0.523 1.00 0.00 C ATOM 1471 CG1 VAL A 94 -8.991 3.835 0.782 1.00 0.00 C ATOM 1472 CG2 VAL A 94 -8.908 3.328 -1.677 1.00 0.00 C ATOM 0 H VAL A 94 -6.286 5.653 -1.977 1.00 0.00 H new ATOM 0 HA VAL A 94 -9.051 5.950 -0.951 1.00 0.00 H new ATOM 0 HB VAL A 94 -7.216 3.612 -0.403 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -9.097 2.768 0.977 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -8.453 4.303 1.606 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -9.979 4.287 0.690 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -9.014 2.270 -1.439 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -9.894 3.766 -1.833 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -8.315 3.438 -2.585 1.00 0.00 H new ATOM 1482 N GLU A 95 -8.088 6.922 1.194 1.00 0.00 N ATOM 1483 CA GLU A 95 -7.566 7.660 2.344 1.00 0.00 C ATOM 1484 C GLU A 95 -7.746 6.850 3.639 1.00 0.00 C ATOM 1485 O GLU A 95 -8.836 6.341 3.900 1.00 0.00 O ATOM 1486 CB GLU A 95 -8.283 9.018 2.413 1.00 0.00 C ATOM 1487 CG GLU A 95 -7.688 9.963 3.457 1.00 0.00 C ATOM 1488 CD GLU A 95 -8.440 11.304 3.467 1.00 0.00 C ATOM 1489 OE1 GLU A 95 -8.279 12.106 2.517 1.00 0.00 O ATOM 1490 OE2 GLU A 95 -9.211 11.560 4.422 1.00 0.00 O ATOM 0 H GLU A 95 -9.105 6.954 1.124 1.00 0.00 H new ATOM 0 HA GLU A 95 -6.495 7.828 2.229 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -8.238 9.495 1.434 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -9.336 8.854 2.640 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -7.741 9.503 4.444 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -6.633 10.133 3.241 1.00 0.00 H new ATOM 1497 N ILE A 96 -6.694 6.715 4.457 1.00 0.00 N ATOM 1498 CA ILE A 96 -6.655 5.788 5.607 1.00 0.00 C ATOM 1499 C ILE A 96 -5.631 6.228 6.669 1.00 0.00 C ATOM 1500 O ILE A 96 -4.612 6.822 6.335 1.00 0.00 O ATOM 1501 CB ILE A 96 -6.401 4.344 5.090 1.00 0.00 C ATOM 1502 CG1 ILE A 96 -6.566 3.306 6.218 1.00 0.00 C ATOM 1503 CG2 ILE A 96 -5.036 4.206 4.390 1.00 0.00 C ATOM 1504 CD1 ILE A 96 -6.673 1.862 5.719 1.00 0.00 C ATOM 0 H ILE A 96 -5.834 7.251 4.342 1.00 0.00 H new ATOM 0 HA ILE A 96 -7.620 5.807 6.113 1.00 0.00 H new ATOM 0 HB ILE A 96 -7.162 4.139 4.337 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -5.717 3.384 6.897 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -7.459 3.548 6.794 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -4.905 3.180 4.047 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -4.995 4.882 3.536 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -4.240 4.458 5.091 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -6.787 1.190 6.570 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -7.538 1.767 5.063 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -5.770 1.600 5.168 1.00 0.00 H new ATOM 1516 N ALA A 97 -5.884 5.967 7.957 1.00 0.00 N ATOM 1517 CA ALA A 97 -4.947 6.313 9.034 1.00 0.00 C ATOM 1518 C ALA A 97 -3.939 5.182 9.301 1.00 0.00 C ATOM 1519 O ALA A 97 -4.344 4.055 9.587 1.00 0.00 O ATOM 1520 CB ALA A 97 -5.741 6.705 10.288 1.00 0.00 C ATOM 0 H ALA A 97 -6.738 5.513 8.281 1.00 0.00 H new ATOM 0 HA ALA A 97 -4.348 7.170 8.726 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -5.050 6.963 11.090 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -6.374 7.564 10.064 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -6.364 5.867 10.601 1.00 0.00 H new ATOM 1526 N PHE A 98 -2.641 5.487 9.233 1.00 0.00 N ATOM 1527 CA PHE A 98 -1.532 4.571 9.510 1.00 0.00 C ATOM 1528 C PHE A 98 -0.756 4.984 10.770 1.00 0.00 C ATOM 1529 O PHE A 98 -0.372 6.144 10.941 1.00 0.00 O ATOM 1530 CB PHE A 98 -0.576 4.550 8.303 1.00 0.00 C ATOM 1531 CG PHE A 98 -1.018 3.828 7.036 1.00 0.00 C ATOM 1532 CD1 PHE A 98 -2.150 2.986 7.002 1.00 0.00 C ATOM 1533 CD2 PHE A 98 -0.230 3.964 5.876 1.00 0.00 C ATOM 1534 CE1 PHE A 98 -2.470 2.275 5.832 1.00 0.00 C ATOM 1535 CE2 PHE A 98 -0.554 3.259 4.703 1.00 0.00 C ATOM 1536 CZ PHE A 98 -1.672 2.407 4.684 1.00 0.00 C ATOM 0 H PHE A 98 -2.320 6.419 8.972 1.00 0.00 H new ATOM 0 HA PHE A 98 -1.948 3.578 9.682 1.00 0.00 H new ATOM 0 HB2 PHE A 98 -0.357 5.584 8.036 1.00 0.00 H new ATOM 0 HB3 PHE A 98 0.361 4.100 8.631 1.00 0.00 H new ATOM 0 HD1 PHE A 98 -2.773 2.887 7.879 1.00 0.00 H new ATOM 0 HD2 PHE A 98 0.631 4.616 5.888 1.00 0.00 H new ATOM 0 HE1 PHE A 98 -3.332 1.625 5.816 1.00 0.00 H new ATOM 0 HE2 PHE A 98 0.055 3.372 3.818 1.00 0.00 H new ATOM 0 HZ PHE A 98 -1.917 1.855 3.788 1.00 0.00 H new ATOM 1546 N TYR A 99 -0.469 4.000 11.624 1.00 0.00 N ATOM 1547 CA TYR A 99 0.435 4.116 12.771 1.00 0.00 C ATOM 1548 C TYR A 99 1.920 4.179 12.344 1.00 0.00 C ATOM 1549 O TYR A 99 2.323 3.524 11.378 1.00 0.00 O ATOM 1550 CB TYR A 99 0.170 2.912 13.689 1.00 0.00 C ATOM 1551 CG TYR A 99 1.081 2.789 14.897 1.00 0.00 C ATOM 1552 CD1 TYR A 99 0.818 3.532 16.063 1.00 0.00 C ATOM 1553 CD2 TYR A 99 2.176 1.903 14.862 1.00 0.00 C ATOM 1554 CE1 TYR A 99 1.639 3.386 17.196 1.00 0.00 C ATOM 1555 CE2 TYR A 99 2.999 1.747 15.993 1.00 0.00 C ATOM 1556 CZ TYR A 99 2.730 2.486 17.168 1.00 0.00 C ATOM 1557 OH TYR A 99 3.505 2.320 18.277 1.00 0.00 O ATOM 0 H TYR A 99 -0.873 3.068 11.533 1.00 0.00 H new ATOM 0 HA TYR A 99 0.241 5.051 13.296 1.00 0.00 H new ATOM 0 HB2 TYR A 99 -0.861 2.966 14.039 1.00 0.00 H new ATOM 0 HB3 TYR A 99 0.258 2.001 13.097 1.00 0.00 H new ATOM 0 HD1 TYR A 99 -0.017 4.217 16.088 1.00 0.00 H new ATOM 0 HD2 TYR A 99 2.385 1.341 13.964 1.00 0.00 H new ATOM 0 HE1 TYR A 99 1.436 3.961 18.087 1.00 0.00 H new ATOM 0 HE2 TYR A 99 3.835 1.064 15.963 1.00 0.00 H new ATOM 0 HH TYR A 99 4.210 1.666 18.089 1.00 0.00 H new ATOM 1567 N ARG A 100 2.740 4.935 13.087 1.00 0.00 N ATOM 1568 CA ARG A 100 4.202 5.018 12.941 1.00 0.00 C ATOM 1569 C ARG A 100 4.948 4.543 14.195 1.00 0.00 C ATOM 1570 O ARG A 100 4.475 4.722 15.316 1.00 0.00 O ATOM 1571 CB ARG A 100 4.616 6.447 12.542 1.00 0.00 C ATOM 1572 CG ARG A 100 4.176 7.566 13.496 1.00 0.00 C ATOM 1573 CD ARG A 100 4.688 8.922 12.995 1.00 0.00 C ATOM 1574 NE ARG A 100 4.330 10.011 13.922 1.00 0.00 N ATOM 1575 CZ ARG A 100 3.180 10.675 13.988 1.00 0.00 C ATOM 1576 NH1 ARG A 100 2.148 10.357 13.241 1.00 0.00 N ATOM 1577 NH2 ARG A 100 3.048 11.673 14.834 1.00 0.00 N ATOM 0 H ARG A 100 2.390 5.530 13.837 1.00 0.00 H new ATOM 0 HA ARG A 100 4.492 4.335 12.142 1.00 0.00 H new ATOM 0 HB2 ARG A 100 5.702 6.478 12.454 1.00 0.00 H new ATOM 0 HB3 ARG A 100 4.210 6.659 11.553 1.00 0.00 H new ATOM 0 HG2 ARG A 100 3.089 7.584 13.569 1.00 0.00 H new ATOM 0 HG3 ARG A 100 4.560 7.372 14.497 1.00 0.00 H new ATOM 0 HD2 ARG A 100 5.771 8.883 12.879 1.00 0.00 H new ATOM 0 HD3 ARG A 100 4.269 9.129 12.010 1.00 0.00 H new ATOM 0 HE ARG A 100 5.049 10.287 14.591 1.00 0.00 H new ATOM 0 HH11 ARG A 100 2.214 9.579 12.585 1.00 0.00 H new ATOM 0 HH12 ARG A 100 1.280 10.888 13.317 1.00 0.00 H new ATOM 0 HH21 ARG A 100 3.827 11.936 15.438 1.00 0.00 H new ATOM 0 HH22 ARG A 100 2.167 12.184 14.886 1.00 0.00 H new ATOM 1591 N LYS A 101 6.160 4.010 14.009 1.00 0.00 N ATOM 1592 CA LYS A 101 7.047 3.480 15.066 1.00 0.00 C ATOM 1593 C LYS A 101 7.489 4.529 16.114 1.00 0.00 C ATOM 1594 O LYS A 101 7.963 4.160 17.189 1.00 0.00 O ATOM 1595 CB LYS A 101 8.282 2.815 14.414 1.00 0.00 C ATOM 1596 CG LYS A 101 8.093 1.338 14.033 1.00 0.00 C ATOM 1597 CD LYS A 101 7.335 1.130 12.713 1.00 0.00 C ATOM 1598 CE LYS A 101 7.140 -0.356 12.371 1.00 0.00 C ATOM 1599 NZ LYS A 101 6.232 -1.070 13.317 1.00 0.00 N ATOM 0 H LYS A 101 6.573 3.930 13.080 1.00 0.00 H new ATOM 0 HA LYS A 101 6.462 2.747 15.621 1.00 0.00 H new ATOM 0 HB2 LYS A 101 8.548 3.376 13.518 1.00 0.00 H new ATOM 0 HB3 LYS A 101 9.125 2.893 15.101 1.00 0.00 H new ATOM 0 HG2 LYS A 101 9.072 0.864 13.958 1.00 0.00 H new ATOM 0 HG3 LYS A 101 7.554 0.832 14.834 1.00 0.00 H new ATOM 0 HD2 LYS A 101 6.361 1.615 12.777 1.00 0.00 H new ATOM 0 HD3 LYS A 101 7.881 1.617 11.904 1.00 0.00 H new ATOM 0 HE2 LYS A 101 6.738 -0.439 11.361 1.00 0.00 H new ATOM 0 HE3 LYS A 101 8.111 -0.851 12.369 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 6.117 -2.057 13.010 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 6.641 -1.050 14.273 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 5.304 -0.601 13.328 1.00 0.00 H new ATOM 1613 N ASP A 102 7.290 5.824 15.841 1.00 0.00 N ATOM 1614 CA ASP A 102 7.458 6.917 16.812 1.00 0.00 C ATOM 1615 C ASP A 102 6.408 6.878 17.945 1.00 0.00 C ATOM 1616 O ASP A 102 6.572 7.563 18.958 1.00 0.00 O ATOM 1617 CB ASP A 102 7.397 8.264 16.077 1.00 0.00 C ATOM 1618 CG ASP A 102 8.530 8.422 15.052 1.00 0.00 C ATOM 1619 OD1 ASP A 102 9.663 8.776 15.460 1.00 0.00 O ATOM 1620 OD2 ASP A 102 8.277 8.200 13.845 1.00 0.00 O ATOM 0 H ASP A 102 7.001 6.151 14.919 1.00 0.00 H new ATOM 0 HA ASP A 102 8.432 6.789 17.285 1.00 0.00 H new ATOM 0 HB2 ASP A 102 6.436 8.355 15.570 1.00 0.00 H new ATOM 0 HB3 ASP A 102 7.452 9.074 16.804 1.00 0.00 H new ATOM 1625 N GLY A 103 5.348 6.071 17.788 1.00 0.00 N ATOM 1626 CA GLY A 103 4.318 5.831 18.804 1.00 0.00 C ATOM 1627 C GLY A 103 3.043 6.637 18.574 1.00 0.00 C ATOM 1628 O GLY A 103 2.372 6.998 19.541 1.00 0.00 O ATOM 0 H GLY A 103 5.181 5.554 16.925 1.00 0.00 H new ATOM 0 HA2 GLY A 103 4.071 4.769 18.817 1.00 0.00 H new ATOM 0 HA3 GLY A 103 4.722 6.076 19.786 1.00 0.00 H new ATOM 1632 N SER A 104 2.706 6.945 17.318 1.00 0.00 N ATOM 1633 CA SER A 104 1.563 7.811 16.981 1.00 0.00 C ATOM 1634 C SER A 104 0.995 7.499 15.582 1.00 0.00 C ATOM 1635 O SER A 104 1.323 6.469 14.995 1.00 0.00 O ATOM 1636 CB SER A 104 1.987 9.278 17.170 1.00 0.00 C ATOM 1637 OG SER A 104 0.884 10.173 17.078 1.00 0.00 O ATOM 0 H SER A 104 3.216 6.603 16.503 1.00 0.00 H new ATOM 0 HA SER A 104 0.732 7.612 17.657 1.00 0.00 H new ATOM 0 HB2 SER A 104 2.466 9.393 18.142 1.00 0.00 H new ATOM 0 HB3 SER A 104 2.729 9.540 16.416 1.00 0.00 H new ATOM 0 HG SER A 104 1.197 11.093 17.206 1.00 0.00 H new ATOM 1643 N CYS A 105 0.117 8.347 15.039 1.00 0.00 N ATOM 1644 CA CYS A 105 -0.712 8.067 13.862 1.00 0.00 C ATOM 1645 C CYS A 105 -0.957 9.334 13.015 1.00 0.00 C ATOM 1646 O CYS A 105 -0.792 10.456 13.498 1.00 0.00 O ATOM 1647 CB CYS A 105 -2.009 7.429 14.399 1.00 0.00 C ATOM 1648 SG CYS A 105 -3.045 6.736 13.076 1.00 0.00 S ATOM 0 H CYS A 105 -0.042 9.280 15.420 1.00 0.00 H new ATOM 0 HA CYS A 105 -0.215 7.383 13.174 1.00 0.00 H new ATOM 0 HB2 CYS A 105 -1.756 6.641 15.108 1.00 0.00 H new ATOM 0 HB3 CYS A 105 -2.579 8.179 14.947 1.00 0.00 H new ATOM 0 HG CYS A 105 -3.870 5.867 13.581 1.00 0.00 H new ATOM 1654 N PHE A 106 -1.350 9.149 11.754 1.00 0.00 N ATOM 1655 CA PHE A 106 -1.761 10.200 10.808 1.00 0.00 C ATOM 1656 C PHE A 106 -2.490 9.628 9.581 1.00 0.00 C ATOM 1657 O PHE A 106 -2.424 8.428 9.317 1.00 0.00 O ATOM 1658 CB PHE A 106 -0.581 11.127 10.431 1.00 0.00 C ATOM 1659 CG PHE A 106 0.767 10.531 10.052 1.00 0.00 C ATOM 1660 CD1 PHE A 106 0.905 9.259 9.459 1.00 0.00 C ATOM 1661 CD2 PHE A 106 1.918 11.315 10.270 1.00 0.00 C ATOM 1662 CE1 PHE A 106 2.178 8.767 9.124 1.00 0.00 C ATOM 1663 CE2 PHE A 106 3.190 10.827 9.929 1.00 0.00 C ATOM 1664 CZ PHE A 106 3.319 9.550 9.361 1.00 0.00 C ATOM 0 H PHE A 106 -1.394 8.218 11.339 1.00 0.00 H new ATOM 0 HA PHE A 106 -2.491 10.826 11.321 1.00 0.00 H new ATOM 0 HB2 PHE A 106 -0.909 11.744 9.594 1.00 0.00 H new ATOM 0 HB3 PHE A 106 -0.413 11.797 11.275 1.00 0.00 H new ATOM 0 HD1 PHE A 106 0.028 8.660 9.261 1.00 0.00 H new ATOM 0 HD2 PHE A 106 1.821 12.300 10.703 1.00 0.00 H new ATOM 0 HE1 PHE A 106 2.279 7.786 8.684 1.00 0.00 H new ATOM 0 HE2 PHE A 106 4.067 11.433 10.103 1.00 0.00 H new ATOM 0 HZ PHE A 106 4.297 9.169 9.106 1.00 0.00 H new ATOM 1674 N LEU A 107 -3.202 10.481 8.834 1.00 0.00 N ATOM 1675 CA LEU A 107 -3.884 10.096 7.595 1.00 0.00 C ATOM 1676 C LEU A 107 -2.897 10.030 6.431 1.00 0.00 C ATOM 1677 O LEU A 107 -2.270 11.029 6.085 1.00 0.00 O ATOM 1678 CB LEU A 107 -4.996 11.107 7.257 1.00 0.00 C ATOM 1679 CG LEU A 107 -6.417 10.804 7.770 1.00 0.00 C ATOM 1680 CD1 LEU A 107 -6.915 9.419 7.340 1.00 0.00 C ATOM 1681 CD2 LEU A 107 -6.513 10.931 9.294 1.00 0.00 C ATOM 0 H LEU A 107 -3.321 11.465 9.075 1.00 0.00 H new ATOM 0 HA LEU A 107 -4.323 9.110 7.748 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -4.697 12.079 7.650 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -5.044 11.203 6.172 1.00 0.00 H new ATOM 0 HG LEU A 107 -7.061 11.555 7.311 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -7.921 9.257 7.728 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -6.932 9.360 6.252 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -6.247 8.653 7.734 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -7.531 10.709 9.614 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -5.824 10.228 9.762 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -6.252 11.947 9.592 1.00 0.00 H new ATOM 1693 N CYS A 108 -2.847 8.886 5.763 1.00 0.00 N ATOM 1694 CA CYS A 108 -2.145 8.651 4.510 1.00 0.00 C ATOM 1695 C CYS A 108 -3.169 8.521 3.361 1.00 0.00 C ATOM 1696 O CYS A 108 -4.192 7.841 3.489 1.00 0.00 O ATOM 1697 CB CYS A 108 -1.345 7.354 4.692 1.00 0.00 C ATOM 1698 SG CYS A 108 -0.231 7.137 3.281 1.00 0.00 S ATOM 0 H CYS A 108 -3.323 8.049 6.101 1.00 0.00 H new ATOM 0 HA CYS A 108 -1.476 9.474 4.257 1.00 0.00 H new ATOM 0 HB2 CYS A 108 -0.773 7.393 5.619 1.00 0.00 H new ATOM 0 HB3 CYS A 108 -2.022 6.503 4.770 1.00 0.00 H new ATOM 0 HG CYS A 108 -0.818 7.551 2.197 1.00 0.00 H new ATOM 1704 N LEU A 109 -2.894 9.143 2.217 1.00 0.00 N ATOM 1705 CA LEU A 109 -3.521 8.821 0.942 1.00 0.00 C ATOM 1706 C LEU A 109 -2.694 7.711 0.278 1.00 0.00 C ATOM 1707 O LEU A 109 -1.488 7.876 0.088 1.00 0.00 O ATOM 1708 CB LEU A 109 -3.589 10.092 0.070 1.00 0.00 C ATOM 1709 CG LEU A 109 -4.610 9.989 -1.083 1.00 0.00 C ATOM 1710 CD1 LEU A 109 -6.063 9.993 -0.582 1.00 0.00 C ATOM 1711 CD2 LEU A 109 -4.411 11.160 -2.055 1.00 0.00 C ATOM 0 H LEU A 109 -2.214 9.901 2.151 1.00 0.00 H new ATOM 0 HA LEU A 109 -4.543 8.466 1.077 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -3.848 10.943 0.700 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -2.601 10.292 -0.346 1.00 0.00 H new ATOM 0 HG LEU A 109 -4.434 9.038 -1.585 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -6.741 9.919 -1.432 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -6.221 9.144 0.083 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -6.259 10.919 -0.041 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -5.133 11.085 -2.868 1.00 0.00 H new ATOM 0 HD22 LEU A 109 -4.558 12.101 -1.525 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -3.401 11.127 -2.463 1.00 0.00 H new ATOM 1723 N VAL A 110 -3.338 6.588 -0.043 1.00 0.00 N ATOM 1724 CA VAL A 110 -2.741 5.431 -0.725 1.00 0.00 C ATOM 1725 C VAL A 110 -3.289 5.364 -2.151 1.00 0.00 C ATOM 1726 O VAL A 110 -4.495 5.175 -2.322 1.00 0.00 O ATOM 1727 CB VAL A 110 -3.046 4.108 0.015 1.00 0.00 C ATOM 1728 CG1 VAL A 110 -2.383 2.927 -0.689 1.00 0.00 C ATOM 1729 CG2 VAL A 110 -2.579 4.155 1.481 1.00 0.00 C ATOM 0 H VAL A 110 -4.326 6.451 0.171 1.00 0.00 H new ATOM 0 HA VAL A 110 -1.658 5.557 -0.736 1.00 0.00 H new ATOM 0 HB VAL A 110 -4.128 3.978 0.000 1.00 0.00 H new ATOM 0 HG11 VAL A 110 -2.612 2.007 -0.150 1.00 0.00 H new ATOM 0 HG12 VAL A 110 -2.760 2.853 -1.709 1.00 0.00 H new ATOM 0 HG13 VAL A 110 -1.303 3.076 -0.711 1.00 0.00 H new ATOM 0 HG21 VAL A 110 -2.811 3.207 1.967 1.00 0.00 H new ATOM 0 HG22 VAL A 110 -1.503 4.327 1.515 1.00 0.00 H new ATOM 0 HG23 VAL A 110 -3.092 4.964 2.000 1.00 0.00 H new ATOM 1739 N ASP A 111 -2.428 5.506 -3.163 1.00 0.00 N ATOM 1740 CA ASP A 111 -2.806 5.504 -4.571 1.00 0.00 C ATOM 1741 C ASP A 111 -2.223 4.256 -5.242 1.00 0.00 C ATOM 1742 O ASP A 111 -1.005 4.139 -5.361 1.00 0.00 O ATOM 1743 CB ASP A 111 -2.293 6.784 -5.255 1.00 0.00 C ATOM 1744 CG ASP A 111 -2.586 8.085 -4.487 1.00 0.00 C ATOM 1745 OD1 ASP A 111 -3.613 8.155 -3.776 1.00 0.00 O ATOM 1746 OD2 ASP A 111 -1.793 9.048 -4.633 1.00 0.00 O ATOM 0 H ASP A 111 -1.426 5.628 -3.018 1.00 0.00 H new ATOM 0 HA ASP A 111 -3.892 5.483 -4.664 1.00 0.00 H new ATOM 0 HB2 ASP A 111 -1.216 6.697 -5.397 1.00 0.00 H new ATOM 0 HB3 ASP A 111 -2.741 6.854 -6.246 1.00 0.00 H new ATOM 1751 N VAL A 112 -3.070 3.318 -5.674 1.00 0.00 N ATOM 1752 CA VAL A 112 -2.618 2.167 -6.471 1.00 0.00 C ATOM 1753 C VAL A 112 -2.646 2.524 -7.949 1.00 0.00 C ATOM 1754 O VAL A 112 -3.694 2.846 -8.509 1.00 0.00 O ATOM 1755 CB VAL A 112 -3.341 0.841 -6.169 1.00 0.00 C ATOM 1756 CG1 VAL A 112 -4.851 0.902 -6.101 1.00 0.00 C ATOM 1757 CG2 VAL A 112 -2.948 -0.281 -7.140 1.00 0.00 C ATOM 0 H VAL A 112 -4.073 3.330 -5.487 1.00 0.00 H new ATOM 0 HA VAL A 112 -1.590 1.965 -6.169 1.00 0.00 H new ATOM 0 HB VAL A 112 -2.990 0.622 -5.161 1.00 0.00 H new ATOM 0 HG11 VAL A 112 -5.246 -0.090 -5.883 1.00 0.00 H new ATOM 0 HG12 VAL A 112 -5.152 1.593 -5.314 1.00 0.00 H new ATOM 0 HG13 VAL A 112 -5.245 1.247 -7.057 1.00 0.00 H new ATOM 0 HG21 VAL A 112 -3.487 -1.192 -6.881 1.00 0.00 H new ATOM 0 HG22 VAL A 112 -3.202 0.014 -8.158 1.00 0.00 H new ATOM 0 HG23 VAL A 112 -1.875 -0.462 -7.072 1.00 0.00 H new ATOM 1767 N VAL A 113 -1.468 2.436 -8.560 1.00 0.00 N ATOM 1768 CA VAL A 113 -1.239 2.643 -9.989 1.00 0.00 C ATOM 1769 C VAL A 113 -1.041 1.259 -10.629 1.00 0.00 C ATOM 1770 O VAL A 113 -0.044 0.601 -10.318 1.00 0.00 O ATOM 1771 CB VAL A 113 -0.021 3.568 -10.221 1.00 0.00 C ATOM 1772 CG1 VAL A 113 0.262 3.752 -11.722 1.00 0.00 C ATOM 1773 CG2 VAL A 113 -0.235 4.949 -9.581 1.00 0.00 C ATOM 0 H VAL A 113 -0.612 2.210 -8.054 1.00 0.00 H new ATOM 0 HA VAL A 113 -2.092 3.141 -10.451 1.00 0.00 H new ATOM 0 HB VAL A 113 0.834 3.084 -9.750 1.00 0.00 H new ATOM 0 HG11 VAL A 113 1.123 4.407 -11.852 1.00 0.00 H new ATOM 0 HG12 VAL A 113 0.472 2.783 -12.174 1.00 0.00 H new ATOM 0 HG13 VAL A 113 -0.608 4.197 -12.204 1.00 0.00 H new ATOM 0 HG21 VAL A 113 0.639 5.574 -9.763 1.00 0.00 H new ATOM 0 HG22 VAL A 113 -1.115 5.420 -10.019 1.00 0.00 H new ATOM 0 HG23 VAL A 113 -0.381 4.834 -8.507 1.00 0.00 H new ATOM 1783 N PRO A 114 -1.975 0.781 -11.476 1.00 0.00 N ATOM 1784 CA PRO A 114 -1.843 -0.493 -12.168 1.00 0.00 C ATOM 1785 C PRO A 114 -0.823 -0.354 -13.299 1.00 0.00 C ATOM 1786 O PRO A 114 -0.975 0.483 -14.188 1.00 0.00 O ATOM 1787 CB PRO A 114 -3.245 -0.831 -12.685 1.00 0.00 C ATOM 1788 CG PRO A 114 -3.893 0.537 -12.887 1.00 0.00 C ATOM 1789 CD PRO A 114 -3.252 1.401 -11.803 1.00 0.00 C ATOM 0 HA PRO A 114 -1.480 -1.293 -11.523 1.00 0.00 H new ATOM 0 HB2 PRO A 114 -3.203 -1.396 -13.616 1.00 0.00 H new ATOM 0 HB3 PRO A 114 -3.801 -1.436 -11.969 1.00 0.00 H new ATOM 0 HG2 PRO A 114 -3.695 0.931 -13.884 1.00 0.00 H new ATOM 0 HG3 PRO A 114 -4.976 0.489 -12.773 1.00 0.00 H new ATOM 0 HD2 PRO A 114 -3.108 2.422 -12.157 1.00 0.00 H new ATOM 0 HD3 PRO A 114 -3.892 1.456 -10.923 1.00 0.00 H new ATOM 1797 N VAL A 115 0.216 -1.189 -13.260 1.00 0.00 N ATOM 1798 CA VAL A 115 1.228 -1.279 -14.325 1.00 0.00 C ATOM 1799 C VAL A 115 0.825 -2.402 -15.275 1.00 0.00 C ATOM 1800 O VAL A 115 0.766 -3.566 -14.875 1.00 0.00 O ATOM 1801 CB VAL A 115 2.646 -1.532 -13.765 1.00 0.00 C ATOM 1802 CG1 VAL A 115 3.704 -1.598 -14.880 1.00 0.00 C ATOM 1803 CG2 VAL A 115 3.049 -0.443 -12.761 1.00 0.00 C ATOM 0 H VAL A 115 0.384 -1.829 -12.484 1.00 0.00 H new ATOM 0 HA VAL A 115 1.267 -0.325 -14.851 1.00 0.00 H new ATOM 0 HB VAL A 115 2.608 -2.498 -13.261 1.00 0.00 H new ATOM 0 HG11 VAL A 115 4.685 -1.777 -14.440 1.00 0.00 H new ATOM 0 HG12 VAL A 115 3.460 -2.409 -15.566 1.00 0.00 H new ATOM 0 HG13 VAL A 115 3.718 -0.654 -15.425 1.00 0.00 H new ATOM 0 HG21 VAL A 115 4.051 -0.648 -12.384 1.00 0.00 H new ATOM 0 HG22 VAL A 115 3.039 0.529 -13.255 1.00 0.00 H new ATOM 0 HG23 VAL A 115 2.344 -0.435 -11.930 1.00 0.00 H new ATOM 1813 N LYS A 116 0.568 -2.057 -16.539 1.00 0.00 N ATOM 1814 CA LYS A 116 0.322 -3.042 -17.595 1.00 0.00 C ATOM 1815 C LYS A 116 1.637 -3.475 -18.269 1.00 0.00 C ATOM 1816 O LYS A 116 2.592 -2.700 -18.376 1.00 0.00 O ATOM 1817 CB LYS A 116 -0.691 -2.521 -18.629 1.00 0.00 C ATOM 1818 CG LYS A 116 -1.984 -1.995 -17.987 1.00 0.00 C ATOM 1819 CD LYS A 116 -3.178 -2.041 -18.953 1.00 0.00 C ATOM 1820 CE LYS A 116 -3.902 -3.396 -18.869 1.00 0.00 C ATOM 1821 NZ LYS A 116 -5.171 -3.376 -19.655 1.00 0.00 N ATOM 0 H LYS A 116 0.525 -1.089 -16.859 1.00 0.00 H new ATOM 0 HA LYS A 116 -0.117 -3.923 -17.126 1.00 0.00 H new ATOM 0 HB2 LYS A 116 -0.230 -1.723 -19.212 1.00 0.00 H new ATOM 0 HB3 LYS A 116 -0.937 -3.323 -19.325 1.00 0.00 H new ATOM 0 HG2 LYS A 116 -2.214 -2.587 -17.101 1.00 0.00 H new ATOM 0 HG3 LYS A 116 -1.829 -0.969 -17.653 1.00 0.00 H new ATOM 0 HD2 LYS A 116 -3.874 -1.237 -18.715 1.00 0.00 H new ATOM 0 HD3 LYS A 116 -2.832 -1.872 -19.973 1.00 0.00 H new ATOM 0 HE2 LYS A 116 -3.250 -4.184 -19.245 1.00 0.00 H new ATOM 0 HE3 LYS A 116 -4.119 -3.632 -17.827 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 -5.974 -3.569 -19.023 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 -5.293 -2.441 -20.094 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 -5.132 -4.104 -20.396 1.00 0.00 H new ATOM 1835 N ASN A 117 1.678 -4.722 -18.739 1.00 0.00 N ATOM 1836 CA ASN A 117 2.792 -5.301 -19.489 1.00 0.00 C ATOM 1837 C ASN A 117 2.802 -4.835 -20.963 1.00 0.00 C ATOM 1838 O ASN A 117 1.989 -4.011 -21.392 1.00 0.00 O ATOM 1839 CB ASN A 117 2.727 -6.841 -19.336 1.00 0.00 C ATOM 1840 CG ASN A 117 1.450 -7.454 -19.906 1.00 0.00 C ATOM 1841 OD1 ASN A 117 0.771 -6.861 -20.725 1.00 0.00 O ATOM 1842 ND2 ASN A 117 1.051 -8.634 -19.493 1.00 0.00 N ATOM 0 H ASN A 117 0.910 -5.379 -18.603 1.00 0.00 H new ATOM 0 HA ASN A 117 3.740 -4.948 -19.083 1.00 0.00 H new ATOM 0 HB2 ASN A 117 3.588 -7.285 -19.835 1.00 0.00 H new ATOM 0 HB3 ASN A 117 2.804 -7.097 -18.279 1.00 0.00 H new ATOM 0 HD21 ASN A 117 0.188 -9.037 -19.857 1.00 0.00 H new ATOM 0 HD22 ASN A 117 1.604 -9.148 -18.808 1.00 0.00 H new ATOM 1849 N GLU A 118 3.703 -5.423 -21.749 1.00 0.00 N ATOM 1850 CA GLU A 118 3.820 -5.210 -23.201 1.00 0.00 C ATOM 1851 C GLU A 118 2.619 -5.727 -24.031 1.00 0.00 C ATOM 1852 O GLU A 118 2.473 -5.339 -25.191 1.00 0.00 O ATOM 1853 CB GLU A 118 5.133 -5.839 -23.702 1.00 0.00 C ATOM 1854 CG GLU A 118 5.241 -7.344 -23.410 1.00 0.00 C ATOM 1855 CD GLU A 118 6.488 -7.943 -24.074 1.00 0.00 C ATOM 1856 OE1 GLU A 118 7.577 -7.932 -23.450 1.00 0.00 O ATOM 1857 OE2 GLU A 118 6.394 -8.436 -25.224 1.00 0.00 O ATOM 0 H GLU A 118 4.394 -6.081 -21.388 1.00 0.00 H new ATOM 0 HA GLU A 118 3.823 -4.131 -23.353 1.00 0.00 H new ATOM 0 HB2 GLU A 118 5.217 -5.678 -24.777 1.00 0.00 H new ATOM 0 HB3 GLU A 118 5.974 -5.325 -23.236 1.00 0.00 H new ATOM 0 HG2 GLU A 118 5.284 -7.507 -22.333 1.00 0.00 H new ATOM 0 HG3 GLU A 118 4.349 -7.854 -23.775 1.00 0.00 H new ATOM 1864 N ASP A 119 1.752 -6.581 -23.466 1.00 0.00 N ATOM 1865 CA ASP A 119 0.567 -7.144 -24.145 1.00 0.00 C ATOM 1866 C ASP A 119 -0.740 -6.382 -23.825 1.00 0.00 C ATOM 1867 O ASP A 119 -1.736 -6.514 -24.541 1.00 0.00 O ATOM 1868 CB ASP A 119 0.447 -8.621 -23.734 1.00 0.00 C ATOM 1869 CG ASP A 119 -0.646 -9.366 -24.517 1.00 0.00 C ATOM 1870 OD1 ASP A 119 -0.492 -9.541 -25.750 1.00 0.00 O ATOM 1871 OD2 ASP A 119 -1.641 -9.808 -23.893 1.00 0.00 O ATOM 0 H ASP A 119 1.854 -6.908 -22.505 1.00 0.00 H new ATOM 0 HA ASP A 119 0.707 -7.044 -25.221 1.00 0.00 H new ATOM 0 HB2 ASP A 119 1.404 -9.117 -23.893 1.00 0.00 H new ATOM 0 HB3 ASP A 119 0.230 -8.681 -22.668 1.00 0.00 H new ATOM 1876 N GLY A 120 -0.737 -5.578 -22.754 1.00 0.00 N ATOM 1877 CA GLY A 120 -1.898 -4.862 -22.214 1.00 0.00 C ATOM 1878 C GLY A 120 -2.728 -5.692 -21.229 1.00 0.00 C ATOM 1879 O GLY A 120 -3.953 -5.572 -21.222 1.00 0.00 O ATOM 0 H GLY A 120 0.112 -5.402 -22.217 1.00 0.00 H new ATOM 0 HA2 GLY A 120 -1.555 -3.956 -21.714 1.00 0.00 H new ATOM 0 HA3 GLY A 120 -2.537 -4.548 -23.040 1.00 0.00 H new ATOM 1883 N ALA A 121 -2.080 -6.466 -20.352 1.00 0.00 N ATOM 1884 CA ALA A 121 -2.648 -6.990 -19.098 1.00 0.00 C ATOM 1885 C ALA A 121 -1.901 -6.387 -17.892 1.00 0.00 C ATOM 1886 O ALA A 121 -0.731 -6.037 -18.018 1.00 0.00 O ATOM 1887 CB ALA A 121 -2.574 -8.526 -19.104 1.00 0.00 C ATOM 0 H ALA A 121 -1.113 -6.757 -20.497 1.00 0.00 H new ATOM 0 HA ALA A 121 -3.696 -6.702 -19.015 1.00 0.00 H new ATOM 0 HB1 ALA A 121 -2.994 -8.914 -18.176 1.00 0.00 H new ATOM 0 HB2 ALA A 121 -3.141 -8.914 -19.950 1.00 0.00 H new ATOM 0 HB3 ALA A 121 -1.534 -8.840 -19.190 1.00 0.00 H new ATOM 1893 N VAL A 122 -2.550 -6.240 -16.735 1.00 0.00 N ATOM 1894 CA VAL A 122 -1.928 -5.685 -15.509 1.00 0.00 C ATOM 1895 C VAL A 122 -1.162 -6.777 -14.753 1.00 0.00 C ATOM 1896 O VAL A 122 -1.709 -7.839 -14.464 1.00 0.00 O ATOM 1897 CB VAL A 122 -2.933 -4.905 -14.624 1.00 0.00 C ATOM 1898 CG1 VAL A 122 -4.195 -5.706 -14.298 1.00 0.00 C ATOM 1899 CG2 VAL A 122 -2.310 -4.367 -13.326 1.00 0.00 C ATOM 0 H VAL A 122 -3.528 -6.501 -16.611 1.00 0.00 H new ATOM 0 HA VAL A 122 -1.198 -4.936 -15.814 1.00 0.00 H new ATOM 0 HB VAL A 122 -3.222 -4.052 -15.237 1.00 0.00 H new ATOM 0 HG11 VAL A 122 -4.857 -5.104 -13.676 1.00 0.00 H new ATOM 0 HG12 VAL A 122 -4.707 -5.971 -15.223 1.00 0.00 H new ATOM 0 HG13 VAL A 122 -3.921 -6.615 -13.762 1.00 0.00 H new ATOM 0 HG21 VAL A 122 -3.067 -3.831 -12.754 1.00 0.00 H new ATOM 0 HG22 VAL A 122 -1.928 -5.199 -12.734 1.00 0.00 H new ATOM 0 HG23 VAL A 122 -1.492 -3.689 -13.569 1.00 0.00 H new ATOM 1909 N ILE A 123 0.120 -6.513 -14.459 1.00 0.00 N ATOM 1910 CA ILE A 123 1.048 -7.506 -13.859 1.00 0.00 C ATOM 1911 C ILE A 123 1.712 -7.039 -12.556 1.00 0.00 C ATOM 1912 O ILE A 123 2.015 -7.863 -11.696 1.00 0.00 O ATOM 1913 CB ILE A 123 2.085 -8.010 -14.898 1.00 0.00 C ATOM 1914 CG1 ILE A 123 3.292 -7.083 -15.179 1.00 0.00 C ATOM 1915 CG2 ILE A 123 1.403 -8.443 -16.209 1.00 0.00 C ATOM 1916 CD1 ILE A 123 3.014 -5.649 -15.639 1.00 0.00 C ATOM 0 H ILE A 123 0.552 -5.604 -14.628 1.00 0.00 H new ATOM 0 HA ILE A 123 0.426 -8.352 -13.566 1.00 0.00 H new ATOM 0 HB ILE A 123 2.531 -8.876 -14.408 1.00 0.00 H new ATOM 0 HG12 ILE A 123 3.890 -7.030 -14.269 1.00 0.00 H new ATOM 0 HG13 ILE A 123 3.910 -7.562 -15.939 1.00 0.00 H new ATOM 0 HG21 ILE A 123 2.158 -8.790 -16.914 1.00 0.00 H new ATOM 0 HG22 ILE A 123 0.699 -9.250 -16.004 1.00 0.00 H new ATOM 0 HG23 ILE A 123 0.868 -7.596 -16.638 1.00 0.00 H new ATOM 0 HD11 ILE A 123 3.958 -5.127 -15.794 1.00 0.00 H new ATOM 0 HD12 ILE A 123 2.453 -5.669 -16.573 1.00 0.00 H new ATOM 0 HD13 ILE A 123 2.433 -5.129 -14.878 1.00 0.00 H new ATOM 1928 N MET A 124 1.876 -5.729 -12.365 1.00 0.00 N ATOM 1929 CA MET A 124 2.319 -5.110 -11.102 1.00 0.00 C ATOM 1930 C MET A 124 1.399 -3.960 -10.668 1.00 0.00 C ATOM 1931 O MET A 124 0.828 -3.248 -11.494 1.00 0.00 O ATOM 1932 CB MET A 124 3.764 -4.603 -11.240 1.00 0.00 C ATOM 1933 CG MET A 124 4.778 -5.750 -11.308 1.00 0.00 C ATOM 1934 SD MET A 124 6.457 -5.226 -11.743 1.00 0.00 S ATOM 1935 CE MET A 124 6.224 -4.915 -13.513 1.00 0.00 C ATOM 0 H MET A 124 1.701 -5.045 -13.101 1.00 0.00 H new ATOM 0 HA MET A 124 2.272 -5.877 -10.329 1.00 0.00 H new ATOM 0 HB2 MET A 124 3.848 -3.993 -12.139 1.00 0.00 H new ATOM 0 HB3 MET A 124 4.003 -3.959 -10.394 1.00 0.00 H new ATOM 0 HG2 MET A 124 4.805 -6.255 -10.342 1.00 0.00 H new ATOM 0 HG3 MET A 124 4.435 -6.481 -12.040 1.00 0.00 H new ATOM 0 HE1 MET A 124 6.914 -5.536 -14.085 1.00 0.00 H new ATOM 0 HE2 MET A 124 5.199 -5.158 -13.793 1.00 0.00 H new ATOM 0 HE3 MET A 124 6.419 -3.864 -13.727 1.00 0.00 H new ATOM 1945 N PHE A 125 1.312 -3.746 -9.358 1.00 0.00 N ATOM 1946 CA PHE A 125 0.722 -2.566 -8.729 1.00 0.00 C ATOM 1947 C PHE A 125 1.828 -1.744 -8.073 1.00 0.00 C ATOM 1948 O PHE A 125 2.650 -2.291 -7.342 1.00 0.00 O ATOM 1949 CB PHE A 125 -0.297 -3.027 -7.672 1.00 0.00 C ATOM 1950 CG PHE A 125 -1.541 -3.678 -8.242 1.00 0.00 C ATOM 1951 CD1 PHE A 125 -2.363 -2.958 -9.130 1.00 0.00 C ATOM 1952 CD2 PHE A 125 -1.892 -4.991 -7.873 1.00 0.00 C ATOM 1953 CE1 PHE A 125 -3.516 -3.556 -9.667 1.00 0.00 C ATOM 1954 CE2 PHE A 125 -3.050 -5.584 -8.406 1.00 0.00 C ATOM 1955 CZ PHE A 125 -3.851 -4.872 -9.315 1.00 0.00 C ATOM 0 H PHE A 125 1.665 -4.418 -8.677 1.00 0.00 H new ATOM 0 HA PHE A 125 0.217 -1.950 -9.473 1.00 0.00 H new ATOM 0 HB2 PHE A 125 0.191 -3.732 -6.998 1.00 0.00 H new ATOM 0 HB3 PHE A 125 -0.594 -2.167 -7.073 1.00 0.00 H new ATOM 0 HD1 PHE A 125 -2.107 -1.944 -9.399 1.00 0.00 H new ATOM 0 HD2 PHE A 125 -1.272 -5.542 -7.181 1.00 0.00 H new ATOM 0 HE1 PHE A 125 -4.144 -3.003 -10.350 1.00 0.00 H new ATOM 0 HE2 PHE A 125 -3.324 -6.588 -8.117 1.00 0.00 H new ATOM 0 HZ PHE A 125 -4.726 -5.339 -9.743 1.00 0.00 H new ATOM 1965 N ILE A 126 1.834 -0.429 -8.289 1.00 0.00 N ATOM 1966 CA ILE A 126 2.633 0.510 -7.484 1.00 0.00 C ATOM 1967 C ILE A 126 1.667 1.192 -6.515 1.00 0.00 C ATOM 1968 O ILE A 126 0.727 1.835 -6.979 1.00 0.00 O ATOM 1969 CB ILE A 126 3.375 1.552 -8.358 1.00 0.00 C ATOM 1970 CG1 ILE A 126 4.161 0.913 -9.526 1.00 0.00 C ATOM 1971 CG2 ILE A 126 4.330 2.373 -7.467 1.00 0.00 C ATOM 1972 CD1 ILE A 126 4.615 1.942 -10.569 1.00 0.00 C ATOM 0 H ILE A 126 1.288 0.020 -9.024 1.00 0.00 H new ATOM 0 HA ILE A 126 3.414 -0.030 -6.948 1.00 0.00 H new ATOM 0 HB ILE A 126 2.620 2.197 -8.808 1.00 0.00 H new ATOM 0 HG12 ILE A 126 5.034 0.394 -9.130 1.00 0.00 H new ATOM 0 HG13 ILE A 126 3.537 0.162 -10.011 1.00 0.00 H new ATOM 0 HG21 ILE A 126 4.855 3.108 -8.077 1.00 0.00 H new ATOM 0 HG22 ILE A 126 3.757 2.885 -6.695 1.00 0.00 H new ATOM 0 HG23 ILE A 126 5.054 1.706 -6.999 1.00 0.00 H new ATOM 0 HD11 ILE A 126 5.162 1.436 -11.365 1.00 0.00 H new ATOM 0 HD12 ILE A 126 3.743 2.443 -10.989 1.00 0.00 H new ATOM 0 HD13 ILE A 126 5.264 2.679 -10.095 1.00 0.00 H new ATOM 1984 N LEU A 127 1.880 1.054 -5.206 1.00 0.00 N ATOM 1985 CA LEU A 127 1.096 1.717 -4.157 1.00 0.00 C ATOM 1986 C LEU A 127 1.910 2.922 -3.682 1.00 0.00 C ATOM 1987 O LEU A 127 3.047 2.755 -3.247 1.00 0.00 O ATOM 1988 CB LEU A 127 0.814 0.721 -3.006 1.00 0.00 C ATOM 1989 CG LEU A 127 -0.398 -0.225 -3.185 1.00 0.00 C ATOM 1990 CD1 LEU A 127 -1.716 0.481 -2.898 1.00 0.00 C ATOM 1991 CD2 LEU A 127 -0.431 -0.944 -4.539 1.00 0.00 C ATOM 0 H LEU A 127 2.622 0.462 -4.833 1.00 0.00 H new ATOM 0 HA LEU A 127 0.128 2.054 -4.529 1.00 0.00 H new ATOM 0 HB2 LEU A 127 1.704 0.109 -2.860 1.00 0.00 H new ATOM 0 HB3 LEU A 127 0.667 1.293 -2.090 1.00 0.00 H new ATOM 0 HG LEU A 127 -0.263 -1.007 -2.438 1.00 0.00 H new ATOM 0 HD11 LEU A 127 -2.541 -0.218 -3.035 1.00 0.00 H new ATOM 0 HD12 LEU A 127 -1.717 0.846 -1.871 1.00 0.00 H new ATOM 0 HD13 LEU A 127 -1.835 1.321 -3.582 1.00 0.00 H new ATOM 0 HD21 LEU A 127 -1.309 -1.588 -4.588 1.00 0.00 H new ATOM 0 HD22 LEU A 127 -0.476 -0.207 -5.341 1.00 0.00 H new ATOM 0 HD23 LEU A 127 0.469 -1.549 -4.652 1.00 0.00 H new ATOM 2003 N ASN A 128 1.372 4.135 -3.815 1.00 0.00 N ATOM 2004 CA ASN A 128 2.049 5.387 -3.457 1.00 0.00 C ATOM 2005 C ASN A 128 1.425 5.959 -2.178 1.00 0.00 C ATOM 2006 O ASN A 128 0.210 6.123 -2.122 1.00 0.00 O ATOM 2007 CB ASN A 128 2.017 6.461 -4.574 1.00 0.00 C ATOM 2008 CG ASN A 128 1.714 6.028 -6.009 1.00 0.00 C ATOM 2009 OD1 ASN A 128 2.200 4.895 -6.477 1.00 0.00 O flip ATOM 2010 ND2 ASN A 128 1.037 6.732 -6.746 1.00 0.00 N flip ATOM 0 H ASN A 128 0.432 4.280 -4.183 1.00 0.00 H new ATOM 0 HA ASN A 128 3.098 5.136 -3.303 1.00 0.00 H new ATOM 0 HB2 ASN A 128 1.275 7.208 -4.292 1.00 0.00 H new ATOM 0 HB3 ASN A 128 2.986 6.960 -4.578 1.00 0.00 H new ATOM 0 HD21 ASN A 128 0.653 7.612 -6.400 1.00 0.00 H new ATOM 0 HD22 ASN A 128 0.856 6.439 -7.706 1.00 0.00 H new ATOM 2017 N PHE A 129 2.245 6.271 -1.173 1.00 0.00 N ATOM 2018 CA PHE A 129 1.822 6.791 0.126 1.00 0.00 C ATOM 2019 C PHE A 129 2.109 8.297 0.224 1.00 0.00 C ATOM 2020 O PHE A 129 3.217 8.734 -0.081 1.00 0.00 O ATOM 2021 CB PHE A 129 2.572 6.015 1.228 1.00 0.00 C ATOM 2022 CG PHE A 129 2.421 4.499 1.242 1.00 0.00 C ATOM 2023 CD1 PHE A 129 1.301 3.858 0.670 1.00 0.00 C ATOM 2024 CD2 PHE A 129 3.419 3.721 1.860 1.00 0.00 C ATOM 2025 CE1 PHE A 129 1.189 2.457 0.712 1.00 0.00 C ATOM 2026 CE2 PHE A 129 3.308 2.320 1.897 1.00 0.00 C ATOM 2027 CZ PHE A 129 2.192 1.689 1.322 1.00 0.00 C ATOM 0 H PHE A 129 3.257 6.164 -1.245 1.00 0.00 H new ATOM 0 HA PHE A 129 0.748 6.655 0.249 1.00 0.00 H new ATOM 0 HB2 PHE A 129 3.633 6.247 1.141 1.00 0.00 H new ATOM 0 HB3 PHE A 129 2.240 6.396 2.194 1.00 0.00 H new ATOM 0 HD1 PHE A 129 0.527 4.446 0.198 1.00 0.00 H new ATOM 0 HD2 PHE A 129 4.275 4.204 2.308 1.00 0.00 H new ATOM 0 HE1 PHE A 129 0.329 1.971 0.274 1.00 0.00 H new ATOM 0 HE2 PHE A 129 4.080 1.729 2.367 1.00 0.00 H new ATOM 0 HZ PHE A 129 2.106 0.613 1.350 1.00 0.00 H new ATOM 2037 N GLU A 130 1.144 9.089 0.698 1.00 0.00 N ATOM 2038 CA GLU A 130 1.322 10.516 0.978 1.00 0.00 C ATOM 2039 C GLU A 130 0.546 10.896 2.240 1.00 0.00 C ATOM 2040 O GLU A 130 -0.672 10.766 2.276 1.00 0.00 O ATOM 2041 CB GLU A 130 0.856 11.364 -0.226 1.00 0.00 C ATOM 2042 CG GLU A 130 2.023 11.851 -1.098 1.00 0.00 C ATOM 2043 CD GLU A 130 2.877 12.905 -0.376 1.00 0.00 C ATOM 2044 OE1 GLU A 130 2.548 14.112 -0.456 1.00 0.00 O ATOM 2045 OE2 GLU A 130 3.877 12.532 0.284 1.00 0.00 O ATOM 0 H GLU A 130 0.203 8.752 0.901 1.00 0.00 H new ATOM 0 HA GLU A 130 2.380 10.717 1.143 1.00 0.00 H new ATOM 0 HB2 GLU A 130 0.173 10.774 -0.837 1.00 0.00 H new ATOM 0 HB3 GLU A 130 0.296 12.225 0.137 1.00 0.00 H new ATOM 0 HG2 GLU A 130 2.649 11.002 -1.373 1.00 0.00 H new ATOM 0 HG3 GLU A 130 1.633 12.272 -2.024 1.00 0.00 H new ATOM 2052 N VAL A 131 1.227 11.371 3.286 1.00 0.00 N ATOM 2053 CA VAL A 131 0.557 11.832 4.517 1.00 0.00 C ATOM 2054 C VAL A 131 -0.235 13.114 4.221 1.00 0.00 C ATOM 2055 O VAL A 131 0.331 14.142 3.850 1.00 0.00 O ATOM 2056 CB VAL A 131 1.511 11.943 5.731 1.00 0.00 C ATOM 2057 CG1 VAL A 131 2.779 12.748 5.442 1.00 0.00 C ATOM 2058 CG2 VAL A 131 0.798 12.500 6.973 1.00 0.00 C ATOM 0 H VAL A 131 2.244 11.449 3.310 1.00 0.00 H new ATOM 0 HA VAL A 131 -0.156 11.069 4.829 1.00 0.00 H new ATOM 0 HB VAL A 131 1.826 10.920 5.937 1.00 0.00 H new ATOM 0 HG11 VAL A 131 3.399 12.784 6.338 1.00 0.00 H new ATOM 0 HG12 VAL A 131 3.335 12.273 4.634 1.00 0.00 H new ATOM 0 HG13 VAL A 131 2.507 13.762 5.148 1.00 0.00 H new ATOM 0 HG21 VAL A 131 1.504 12.561 7.801 1.00 0.00 H new ATOM 0 HG22 VAL A 131 0.409 13.494 6.754 1.00 0.00 H new ATOM 0 HG23 VAL A 131 -0.025 11.840 7.246 1.00 0.00 H new ATOM 2068 N VAL A 132 -1.560 13.010 4.344 1.00 0.00 N ATOM 2069 CA VAL A 132 -2.538 14.027 3.914 1.00 0.00 C ATOM 2070 C VAL A 132 -3.048 14.909 5.069 1.00 0.00 C ATOM 2071 O VAL A 132 -3.378 16.070 4.828 1.00 0.00 O ATOM 2072 CB VAL A 132 -3.694 13.372 3.119 1.00 0.00 C ATOM 2073 CG1 VAL A 132 -4.693 12.583 3.959 1.00 0.00 C ATOM 2074 CG2 VAL A 132 -4.428 14.387 2.228 1.00 0.00 C ATOM 0 H VAL A 132 -2.002 12.190 4.759 1.00 0.00 H new ATOM 0 HA VAL A 132 -2.013 14.710 3.246 1.00 0.00 H new ATOM 0 HB VAL A 132 -3.193 12.637 2.490 1.00 0.00 H new ATOM 0 HG11 VAL A 132 -5.463 12.164 3.311 1.00 0.00 H new ATOM 0 HG12 VAL A 132 -4.175 11.775 4.476 1.00 0.00 H new ATOM 0 HG13 VAL A 132 -5.156 13.245 4.691 1.00 0.00 H new ATOM 0 HG21 VAL A 132 -5.231 13.884 1.689 1.00 0.00 H new ATOM 0 HG22 VAL A 132 -4.848 15.179 2.848 1.00 0.00 H new ATOM 0 HG23 VAL A 132 -3.726 14.819 1.514 1.00 0.00 H new ATOM 2084 N MET A 133 -3.044 14.405 6.315 1.00 0.00 N ATOM 2085 CA MET A 133 -3.277 15.205 7.534 1.00 0.00 C ATOM 2086 C MET A 133 -2.781 14.509 8.809 1.00 0.00 C ATOM 2087 O MET A 133 -2.818 13.286 8.905 1.00 0.00 O ATOM 2088 CB MET A 133 -4.744 15.669 7.666 1.00 0.00 C ATOM 2089 CG MET A 133 -5.760 14.536 7.834 1.00 0.00 C ATOM 2090 SD MET A 133 -7.478 15.064 8.062 1.00 0.00 S ATOM 2091 CE MET A 133 -7.858 15.611 6.378 1.00 0.00 C ATOM 0 H MET A 133 -2.877 13.418 6.508 1.00 0.00 H new ATOM 0 HA MET A 133 -2.671 16.103 7.417 1.00 0.00 H new ATOM 0 HB2 MET A 133 -4.823 16.340 8.522 1.00 0.00 H new ATOM 0 HB3 MET A 133 -5.009 16.248 6.781 1.00 0.00 H new ATOM 0 HG2 MET A 133 -5.709 13.891 6.957 1.00 0.00 H new ATOM 0 HG3 MET A 133 -5.466 13.931 8.692 1.00 0.00 H new ATOM 0 HE1 MET A 133 -8.910 15.888 6.314 1.00 0.00 H new ATOM 0 HE2 MET A 133 -7.240 16.473 6.127 1.00 0.00 H new ATOM 0 HE3 MET A 133 -7.653 14.802 5.677 1.00 0.00 H new ATOM 2101 N GLU A 134 -2.330 15.282 9.797 1.00 0.00 N ATOM 2102 CA GLU A 134 -1.814 14.769 11.069 1.00 0.00 C ATOM 2103 C GLU A 134 -2.944 14.646 12.105 1.00 0.00 C ATOM 2104 O GLU A 134 -3.702 15.598 12.322 1.00 0.00 O ATOM 2105 CB GLU A 134 -0.679 15.682 11.561 1.00 0.00 C ATOM 2106 CG GLU A 134 0.037 15.119 12.794 1.00 0.00 C ATOM 2107 CD GLU A 134 1.216 16.016 13.196 1.00 0.00 C ATOM 2108 OE1 GLU A 134 1.002 17.029 13.904 1.00 0.00 O ATOM 2109 OE2 GLU A 134 2.371 15.716 12.809 1.00 0.00 O ATOM 0 H GLU A 134 -2.312 16.300 9.736 1.00 0.00 H new ATOM 0 HA GLU A 134 -1.410 13.767 10.923 1.00 0.00 H new ATOM 0 HB2 GLU A 134 0.044 15.822 10.758 1.00 0.00 H new ATOM 0 HB3 GLU A 134 -1.085 16.665 11.799 1.00 0.00 H new ATOM 0 HG2 GLU A 134 -0.665 15.040 13.624 1.00 0.00 H new ATOM 0 HG3 GLU A 134 0.396 14.112 12.583 1.00 0.00 H new ATOM 2116 N LYS A 135 -3.048 13.475 12.752 1.00 0.00 N ATOM 2117 CA LYS A 135 -4.000 13.211 13.849 1.00 0.00 C ATOM 2118 C LYS A 135 -3.467 13.661 15.219 1.00 0.00 C ATOM 2119 O LYS A 135 -2.290 13.387 15.552 1.00 0.00 O ATOM 2120 CB LYS A 135 -4.387 11.721 13.868 1.00 0.00 C ATOM 2121 CG LYS A 135 -5.234 11.268 12.661 1.00 0.00 C ATOM 2122 CD LYS A 135 -6.756 11.440 12.848 1.00 0.00 C ATOM 2123 CE LYS A 135 -7.219 12.906 12.826 1.00 0.00 C ATOM 2124 NZ LYS A 135 -8.705 13.019 12.853 1.00 0.00 N ATOM 2125 OXT LYS A 135 -4.248 14.289 15.972 1.00 0.00 O ATOM 0 H LYS A 135 -2.464 12.670 12.526 1.00 0.00 H new ATOM 0 HA LYS A 135 -4.891 13.808 13.656 1.00 0.00 H new ATOM 0 HB2 LYS A 135 -3.477 11.122 13.903 1.00 0.00 H new ATOM 0 HB3 LYS A 135 -4.941 11.513 14.784 1.00 0.00 H new ATOM 0 HG2 LYS A 135 -4.922 11.832 11.782 1.00 0.00 H new ATOM 0 HG3 LYS A 135 -5.022 10.218 12.458 1.00 0.00 H new ATOM 0 HD2 LYS A 135 -7.274 10.893 12.061 1.00 0.00 H new ATOM 0 HD3 LYS A 135 -7.050 10.989 13.796 1.00 0.00 H new ATOM 0 HE2 LYS A 135 -6.799 13.432 13.683 1.00 0.00 H new ATOM 0 HE3 LYS A 135 -6.834 13.395 11.931 1.00 0.00 H new ATOM 0 HZ1 LYS A 135 -8.977 14.023 12.837 1.00 0.00 H new ATOM 0 HZ2 LYS A 135 -9.105 12.539 12.022 1.00 0.00 H new ATOM 0 HZ3 LYS A 135 -9.071 12.575 13.719 1.00 0.00 H new TER 2139 LYS A 135