USER MOD reduce.3.24.130724 H: found=0, std=0, add=778, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 778 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 63 GLN : amide:sc= -0.414 K(o=-0.8,f=-7.7!) USER MOD Set 1.2: A 84 ASN : amide:sc= -3.94! C(o=-0.8!,f=-8.9!) USER MOD Set 1.3: A 85 SER OG : rot 116:sc= 2.37 USER MOD Set 1.4: A 89 TYR OH : rot 57:sc= 1.19 USER MOD Set 2.1: A 23 ASN : amide:sc= -0.839 K(o=2.9,f=0.68) USER MOD Set 2.2: A 59 TYR OH : rot 35:sc= 1.39 USER MOD Set 2.3: A 95 LYS NZ :NH3+ -174:sc= 2.38 (180deg=1.02) USER MOD Set 3.1: A 25 ASN :FLIP amide:sc= -1.32 F(o=-8.1!,f=-7.5) USER MOD Set 3.2: A 49 HIS : +bothHN:sc= -6.16! C(o=-7.5!,f=-11!) USER MOD Set 4.1: A 35 GLN : amide:sc= 0.996 K(o=5.7,f=-2.9) USER MOD Set 4.2: A 37 LYS NZ :NH3+ -174:sc= 3.63 (180deg=1.21) USER MOD Set 4.3: A 78 ASN : amide:sc= 1.05 K(o=5.7,f=-12!) USER MOD Set 5.1: A 18 SER OG : rot -124:sc= 0.117 USER MOD Set 5.2: A 27 TYR OH : rot -99:sc= 0.288 USER MOD Set 6.1: A 5 TYR OH : rot 155:sc= 1.71 USER MOD Set 6.2: A 8 GLN : amide:sc= 2 K(o=3.5,f=0.52) USER MOD Set 6.3: A 12 CYS SG : rot 180:sc= 0 USER MOD Set 6.4: A 13 CYS SG : rot 13:sc= -0.184 USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 ASN : amide:sc= 0.759 K(o=0.76,f=0) USER MOD Single : A 7 GLN : amide:sc=-0.00645 X(o=-0.0065,f=0) USER MOD Single : A 26 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.0771) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot -74:sc= 0.378 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 152:sc= -0.892! (180deg=-5.6!) USER MOD Single : A 46 MET CE :methyl -176:sc= -0.662 (180deg=-0.75) USER MOD Single : A 48 LYS NZ :NH3+ 139:sc= -0.15 (180deg=-1.65!) USER MOD Single : A 50 ASN : amide:sc= -0.131 X(o=-0.13,f=0) USER MOD Single : A 66 SER OG : rot 180:sc= 0.154 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ -158:sc= 0.618 (180deg=0.158) USER MOD Single : A 76 ASN : amide:sc= -1.08 K(o=-1.1,f=-2.1!) USER MOD Single : A 81 TYR OH : rot -90:sc= -3.07! USER MOD Single : A 83 MET CE :methyl -160:sc= -0.105 (180deg=-0.622) USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 88 ASN : amide:sc= 0.44 K(o=0.44,f=-2.1!) USER MOD Single : A 94 LYS NZ :NH3+ -178:sc= 1.11 (180deg=1.07) USER MOD Single : A 97 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 5.405 -27.039 14.595 1.00 0.00 N ATOM 2 CA ALA A 1 4.025 -27.582 14.445 1.00 0.00 C ATOM 3 C ALA A 1 3.610 -27.650 12.973 1.00 0.00 C ATOM 4 O ALA A 1 3.228 -28.713 12.481 1.00 0.00 O ATOM 5 CB ALA A 1 3.034 -26.740 15.241 1.00 0.00 C ATOM 0 H1 ALA A 1 5.657 -27.005 15.603 1.00 0.00 H new ATOM 0 H2 ALA A 1 6.076 -27.653 14.091 1.00 0.00 H new ATOM 0 H3 ALA A 1 5.446 -26.080 14.196 1.00 0.00 H new ATOM 0 HA ALA A 1 4.019 -28.598 14.840 1.00 0.00 H new ATOM 0 HB1 ALA A 1 2.031 -27.149 15.121 1.00 0.00 H new ATOM 0 HB2 ALA A 1 3.309 -26.755 16.296 1.00 0.00 H new ATOM 0 HB3 ALA A 1 3.053 -25.713 14.876 1.00 0.00 H new ATOM 13 N LEU A 2 3.688 -26.514 12.276 1.00 0.00 N ATOM 14 CA LEU A 2 3.321 -26.452 10.862 1.00 0.00 C ATOM 15 C LEU A 2 4.458 -25.860 10.022 1.00 0.00 C ATOM 16 O LEU A 2 5.316 -25.144 10.542 1.00 0.00 O ATOM 17 CB LEU A 2 2.041 -25.627 10.681 1.00 0.00 C ATOM 18 CG LEU A 2 2.167 -24.137 11.014 1.00 0.00 C ATOM 19 CD1 LEU A 2 1.879 -23.288 9.786 1.00 0.00 C ATOM 20 CD2 LEU A 2 1.230 -23.763 12.153 1.00 0.00 C ATOM 0 H LEU A 2 4.002 -25.626 12.668 1.00 0.00 H new ATOM 0 HA LEU A 2 3.139 -27.469 10.515 1.00 0.00 H new ATOM 0 HB2 LEU A 2 1.710 -25.724 9.647 1.00 0.00 H new ATOM 0 HB3 LEU A 2 1.260 -26.057 11.308 1.00 0.00 H new ATOM 0 HG LEU A 2 3.191 -23.943 11.333 1.00 0.00 H new ATOM 0 HD11 LEU A 2 1.974 -22.233 10.043 1.00 0.00 H new ATOM 0 HD12 LEU A 2 2.590 -23.535 8.998 1.00 0.00 H new ATOM 0 HD13 LEU A 2 0.866 -23.487 9.436 1.00 0.00 H new ATOM 0 HD21 LEU A 2 1.334 -22.701 12.375 1.00 0.00 H new ATOM 0 HD22 LEU A 2 0.201 -23.974 11.862 1.00 0.00 H new ATOM 0 HD23 LEU A 2 1.483 -24.346 13.039 1.00 0.00 H new ATOM 32 N PRO A 3 4.477 -26.156 8.705 1.00 0.00 N ATOM 33 CA PRO A 3 5.506 -25.656 7.793 1.00 0.00 C ATOM 34 C PRO A 3 5.164 -24.280 7.212 1.00 0.00 C ATOM 35 O PRO A 3 4.210 -23.632 7.646 1.00 0.00 O ATOM 36 CB PRO A 3 5.521 -26.721 6.695 1.00 0.00 C ATOM 37 CG PRO A 3 4.117 -27.237 6.639 1.00 0.00 C ATOM 38 CD PRO A 3 3.494 -27.005 8.001 1.00 0.00 C ATOM 0 HA PRO A 3 6.466 -25.510 8.289 1.00 0.00 H new ATOM 0 HB2 PRO A 3 5.824 -26.297 5.738 1.00 0.00 H new ATOM 0 HB3 PRO A 3 6.226 -27.519 6.928 1.00 0.00 H new ATOM 0 HG2 PRO A 3 3.549 -26.721 5.864 1.00 0.00 H new ATOM 0 HG3 PRO A 3 4.108 -28.298 6.388 1.00 0.00 H new ATOM 0 HD2 PRO A 3 2.526 -26.510 7.918 1.00 0.00 H new ATOM 0 HD3 PRO A 3 3.327 -27.944 8.529 1.00 0.00 H new ATOM 46 N LEU A 4 5.952 -23.842 6.227 1.00 0.00 N ATOM 47 CA LEU A 4 5.736 -22.545 5.582 1.00 0.00 C ATOM 48 C LEU A 4 4.411 -22.524 4.812 1.00 0.00 C ATOM 49 O LEU A 4 3.783 -23.566 4.610 1.00 0.00 O ATOM 50 CB LEU A 4 6.900 -22.213 4.640 1.00 0.00 C ATOM 51 CG LEU A 4 7.169 -23.243 3.536 1.00 0.00 C ATOM 52 CD1 LEU A 4 6.811 -22.673 2.172 1.00 0.00 C ATOM 53 CD2 LEU A 4 8.624 -23.686 3.561 1.00 0.00 C ATOM 0 H LEU A 4 6.745 -24.367 5.859 1.00 0.00 H new ATOM 0 HA LEU A 4 5.688 -21.787 6.364 1.00 0.00 H new ATOM 0 HB2 LEU A 4 6.703 -21.248 4.173 1.00 0.00 H new ATOM 0 HB3 LEU A 4 7.806 -22.099 5.236 1.00 0.00 H new ATOM 0 HG LEU A 4 6.540 -24.114 3.721 1.00 0.00 H new ATOM 0 HD11 LEU A 4 7.009 -23.419 1.402 1.00 0.00 H new ATOM 0 HD12 LEU A 4 5.754 -22.406 2.155 1.00 0.00 H new ATOM 0 HD13 LEU A 4 7.413 -21.785 1.980 1.00 0.00 H new ATOM 0 HD21 LEU A 4 8.795 -24.417 2.771 1.00 0.00 H new ATOM 0 HD22 LEU A 4 9.270 -22.822 3.403 1.00 0.00 H new ATOM 0 HD23 LEU A 4 8.851 -24.137 4.527 1.00 0.00 H new ATOM 65 N TYR A 5 3.993 -21.327 4.388 1.00 0.00 N ATOM 66 CA TYR A 5 2.743 -21.161 3.644 1.00 0.00 C ATOM 67 C TYR A 5 2.663 -22.126 2.459 1.00 0.00 C ATOM 68 O TYR A 5 3.428 -22.013 1.498 1.00 0.00 O ATOM 69 CB TYR A 5 2.601 -19.715 3.149 1.00 0.00 C ATOM 70 CG TYR A 5 1.173 -19.312 2.850 1.00 0.00 C ATOM 71 CD1 TYR A 5 0.508 -19.810 1.735 1.00 0.00 C ATOM 72 CD2 TYR A 5 0.491 -18.432 3.681 1.00 0.00 C ATOM 73 CE1 TYR A 5 -0.794 -19.444 1.458 1.00 0.00 C ATOM 74 CE2 TYR A 5 -0.813 -18.061 3.410 1.00 0.00 C ATOM 75 CZ TYR A 5 -1.451 -18.570 2.297 1.00 0.00 C ATOM 76 OH TYR A 5 -2.749 -18.203 2.020 1.00 0.00 O ATOM 0 H TYR A 5 4.504 -20.459 4.548 1.00 0.00 H new ATOM 0 HA TYR A 5 1.923 -21.390 4.325 1.00 0.00 H new ATOM 0 HB2 TYR A 5 3.009 -19.041 3.902 1.00 0.00 H new ATOM 0 HB3 TYR A 5 3.201 -19.588 2.248 1.00 0.00 H new ATOM 0 HD1 TYR A 5 1.019 -20.495 1.074 1.00 0.00 H new ATOM 0 HD2 TYR A 5 0.987 -18.031 4.553 1.00 0.00 H new ATOM 0 HE1 TYR A 5 -1.295 -19.841 0.588 1.00 0.00 H new ATOM 0 HE2 TYR A 5 -1.330 -17.376 4.066 1.00 0.00 H new ATOM 0 HH TYR A 5 -3.196 -17.932 2.849 1.00 0.00 H new ATOM 86 N ASN A 6 1.730 -23.074 2.540 1.00 0.00 N ATOM 87 CA ASN A 6 1.538 -24.066 1.484 1.00 0.00 C ATOM 88 C ASN A 6 0.050 -24.281 1.206 1.00 0.00 C ATOM 89 O ASN A 6 -0.425 -24.029 0.098 1.00 0.00 O ATOM 90 CB ASN A 6 2.198 -25.393 1.872 1.00 0.00 C ATOM 91 CG ASN A 6 3.640 -25.482 1.413 1.00 0.00 C ATOM 92 OD1 ASN A 6 3.922 -25.928 0.303 1.00 0.00 O ATOM 93 ND2 ASN A 6 4.564 -25.059 2.268 1.00 0.00 N ATOM 0 H ASN A 6 1.093 -23.176 3.330 1.00 0.00 H new ATOM 0 HA ASN A 6 2.008 -23.691 0.575 1.00 0.00 H new ATOM 0 HB2 ASN A 6 2.157 -25.512 2.955 1.00 0.00 H new ATOM 0 HB3 ASN A 6 1.631 -26.217 1.439 1.00 0.00 H new ATOM 0 HD21 ASN A 6 5.551 -25.097 2.013 1.00 0.00 H new ATOM 0 HD22 ASN A 6 4.287 -24.696 3.180 1.00 0.00 H new ATOM 100 N GLN A 7 -0.680 -24.744 2.222 1.00 0.00 N ATOM 101 CA GLN A 7 -2.114 -24.991 2.094 1.00 0.00 C ATOM 102 C GLN A 7 -2.897 -24.188 3.132 1.00 0.00 C ATOM 103 O GLN A 7 -2.852 -24.489 4.326 1.00 0.00 O ATOM 104 CB GLN A 7 -2.413 -26.486 2.251 1.00 0.00 C ATOM 105 CG GLN A 7 -1.745 -27.358 1.195 1.00 0.00 C ATOM 106 CD GLN A 7 -1.029 -28.557 1.790 1.00 0.00 C ATOM 107 OE1 GLN A 7 -1.423 -29.700 1.569 1.00 0.00 O ATOM 108 NE2 GLN A 7 0.029 -28.302 2.552 1.00 0.00 N ATOM 0 H GLN A 7 -0.299 -24.955 3.144 1.00 0.00 H new ATOM 0 HA GLN A 7 -2.427 -24.670 1.101 1.00 0.00 H new ATOM 0 HB2 GLN A 7 -2.086 -26.811 3.238 1.00 0.00 H new ATOM 0 HB3 GLN A 7 -3.491 -26.639 2.207 1.00 0.00 H new ATOM 0 HG2 GLN A 7 -2.498 -27.705 0.487 1.00 0.00 H new ATOM 0 HG3 GLN A 7 -1.031 -26.757 0.632 1.00 0.00 H new ATOM 0 HE21 GLN A 7 0.323 -27.338 2.710 1.00 0.00 H new ATOM 0 HE22 GLN A 7 0.547 -29.070 2.979 1.00 0.00 H new ATOM 117 N GLN A 8 -3.613 -23.165 2.667 1.00 0.00 N ATOM 118 CA GLN A 8 -4.408 -22.315 3.553 1.00 0.00 C ATOM 119 C GLN A 8 -5.816 -22.107 2.994 1.00 0.00 C ATOM 120 O GLN A 8 -5.983 -21.778 1.817 1.00 0.00 O ATOM 121 CB GLN A 8 -3.717 -20.962 3.753 1.00 0.00 C ATOM 122 CG GLN A 8 -4.204 -20.200 4.977 1.00 0.00 C ATOM 123 CD GLN A 8 -4.696 -18.805 4.640 1.00 0.00 C ATOM 124 OE1 GLN A 8 -3.904 -17.873 4.504 1.00 0.00 O ATOM 125 NE2 GLN A 8 -6.007 -18.655 4.499 1.00 0.00 N ATOM 0 H GLN A 8 -3.659 -22.905 1.682 1.00 0.00 H new ATOM 0 HA GLN A 8 -4.492 -22.817 4.517 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -2.642 -21.122 3.840 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -3.877 -20.348 2.867 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -5.009 -20.760 5.452 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -3.394 -20.130 5.703 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -6.628 -19.455 4.621 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -6.394 -17.740 4.269 1.00 0.00 H new ATOM 134 N VAL A 9 -6.827 -22.304 3.843 1.00 0.00 N ATOM 135 CA VAL A 9 -8.221 -22.141 3.434 1.00 0.00 C ATOM 136 C VAL A 9 -9.008 -21.336 4.470 1.00 0.00 C ATOM 137 O VAL A 9 -9.312 -21.835 5.555 1.00 0.00 O ATOM 138 CB VAL A 9 -8.912 -23.507 3.221 1.00 0.00 C ATOM 139 CG1 VAL A 9 -10.303 -23.320 2.631 1.00 0.00 C ATOM 140 CG2 VAL A 9 -8.069 -24.406 2.327 1.00 0.00 C ATOM 0 H VAL A 9 -6.705 -22.577 4.818 1.00 0.00 H new ATOM 0 HA VAL A 9 -8.212 -21.599 2.488 1.00 0.00 H new ATOM 0 HB VAL A 9 -9.013 -23.990 4.193 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -10.772 -24.294 2.489 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -10.909 -22.721 3.311 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -10.225 -22.811 1.670 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -8.575 -25.362 2.191 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -7.930 -23.928 1.357 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -7.097 -24.573 2.792 1.00 0.00 H new ATOM 150 N GLY A 10 -9.332 -20.089 4.127 1.00 0.00 N ATOM 151 CA GLY A 10 -10.080 -19.231 5.033 1.00 0.00 C ATOM 152 C GLY A 10 -10.189 -17.803 4.530 1.00 0.00 C ATOM 153 O GLY A 10 -9.832 -17.512 3.386 1.00 0.00 O ATOM 0 H GLY A 10 -9.089 -19.657 3.235 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -11.081 -19.640 5.172 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -9.597 -19.232 6.010 1.00 0.00 H new ATOM 157 N ASP A 11 -10.679 -16.908 5.385 1.00 0.00 N ATOM 158 CA ASP A 11 -10.830 -15.502 5.022 1.00 0.00 C ATOM 159 C ASP A 11 -9.588 -14.701 5.421 1.00 0.00 C ATOM 160 O ASP A 11 -9.665 -13.762 6.218 1.00 0.00 O ATOM 161 CB ASP A 11 -12.083 -14.906 5.676 1.00 0.00 C ATOM 162 CG ASP A 11 -12.579 -13.666 4.953 1.00 0.00 C ATOM 163 OD1 ASP A 11 -12.109 -12.556 5.281 1.00 0.00 O ATOM 164 OD2 ASP A 11 -13.432 -13.807 4.053 1.00 0.00 O ATOM 0 H ASP A 11 -10.978 -17.132 6.334 1.00 0.00 H new ATOM 0 HA ASP A 11 -10.943 -15.443 3.940 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -12.874 -15.656 5.690 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -11.863 -14.655 6.714 1.00 0.00 H new ATOM 169 N CYS A 12 -8.441 -15.079 4.858 1.00 0.00 N ATOM 170 CA CYS A 12 -7.183 -14.398 5.147 1.00 0.00 C ATOM 171 C CYS A 12 -6.070 -14.864 4.213 1.00 0.00 C ATOM 172 O CYS A 12 -6.059 -16.011 3.764 1.00 0.00 O ATOM 173 CB CYS A 12 -6.770 -14.626 6.602 1.00 0.00 C ATOM 174 SG CYS A 12 -6.587 -16.368 7.060 1.00 0.00 S ATOM 0 H CYS A 12 -8.359 -15.853 4.199 1.00 0.00 H new ATOM 0 HA CYS A 12 -7.342 -13.332 4.984 1.00 0.00 H new ATOM 0 HB2 CYS A 12 -5.825 -14.113 6.784 1.00 0.00 H new ATOM 0 HB3 CYS A 12 -7.513 -14.167 7.255 1.00 0.00 H new ATOM 0 HG CYS A 12 -6.234 -16.454 8.308 1.00 0.00 H new ATOM 180 N CYS A 13 -5.134 -13.961 3.926 1.00 0.00 N ATOM 181 CA CYS A 13 -4.008 -14.267 3.048 1.00 0.00 C ATOM 182 C CYS A 13 -2.834 -13.319 3.314 1.00 0.00 C ATOM 183 O CYS A 13 -2.896 -12.476 4.211 1.00 0.00 O ATOM 184 CB CYS A 13 -4.443 -14.176 1.582 1.00 0.00 C ATOM 185 SG CYS A 13 -3.878 -15.556 0.558 1.00 0.00 S ATOM 0 H CYS A 13 -5.134 -13.008 4.291 1.00 0.00 H new ATOM 0 HA CYS A 13 -3.677 -15.284 3.257 1.00 0.00 H new ATOM 0 HB2 CYS A 13 -5.531 -14.127 1.539 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -4.065 -13.245 1.159 1.00 0.00 H new ATOM 0 HG CYS A 13 -3.441 -16.513 1.322 1.00 0.00 H new ATOM 191 N ILE A 14 -1.772 -13.453 2.523 1.00 0.00 N ATOM 192 CA ILE A 14 -0.597 -12.598 2.667 1.00 0.00 C ATOM 193 C ILE A 14 -0.379 -11.775 1.408 1.00 0.00 C ATOM 194 O ILE A 14 -0.352 -12.313 0.299 1.00 0.00 O ATOM 195 CB ILE A 14 0.700 -13.387 2.979 1.00 0.00 C ATOM 196 CG1 ILE A 14 0.494 -14.903 2.861 1.00 0.00 C ATOM 197 CG2 ILE A 14 1.208 -13.030 4.366 1.00 0.00 C ATOM 198 CD1 ILE A 14 0.660 -15.428 1.451 1.00 0.00 C ATOM 0 H ILE A 14 -1.701 -14.145 1.777 1.00 0.00 H new ATOM 0 HA ILE A 14 -0.803 -11.949 3.518 1.00 0.00 H new ATOM 0 HB ILE A 14 1.445 -13.102 2.236 1.00 0.00 H new ATOM 0 HG12 ILE A 14 1.204 -15.410 3.515 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -0.504 -15.155 3.219 1.00 0.00 H new ATOM 0 HG21 ILE A 14 2.120 -13.590 4.575 1.00 0.00 H new ATOM 0 HG22 ILE A 14 1.420 -11.962 4.412 1.00 0.00 H new ATOM 0 HG23 ILE A 14 0.450 -13.282 5.107 1.00 0.00 H new ATOM 0 HD11 ILE A 14 0.500 -16.506 1.443 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -0.068 -14.949 0.796 1.00 0.00 H new ATOM 0 HD13 ILE A 14 1.667 -15.208 1.097 1.00 0.00 H new ATOM 210 N ILE A 15 -0.235 -10.469 1.587 1.00 0.00 N ATOM 211 CA ILE A 15 -0.030 -9.568 0.463 1.00 0.00 C ATOM 212 C ILE A 15 1.227 -8.730 0.639 1.00 0.00 C ATOM 213 O ILE A 15 1.480 -8.191 1.717 1.00 0.00 O ATOM 214 CB ILE A 15 -1.214 -8.604 0.259 1.00 0.00 C ATOM 215 CG1 ILE A 15 -2.530 -9.192 0.772 1.00 0.00 C ATOM 216 CG2 ILE A 15 -1.347 -8.238 -1.210 1.00 0.00 C ATOM 217 CD1 ILE A 15 -3.630 -8.161 0.861 1.00 0.00 C ATOM 0 H ILE A 15 -0.256 -10.011 2.498 1.00 0.00 H new ATOM 0 HA ILE A 15 0.066 -10.213 -0.411 1.00 0.00 H new ATOM 0 HB ILE A 15 -1.005 -7.706 0.841 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -2.846 -9.999 0.111 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -2.368 -9.632 1.756 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -2.187 -7.556 -1.340 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -0.431 -7.754 -1.549 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -1.518 -9.141 -1.796 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -4.541 -8.632 1.230 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -3.330 -7.366 1.544 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -3.814 -7.739 -0.127 1.00 0.00 H new ATOM 229 N ARG A 16 1.990 -8.600 -0.441 1.00 0.00 N ATOM 230 CA ARG A 16 3.207 -7.801 -0.432 1.00 0.00 C ATOM 231 C ARG A 16 2.870 -6.364 -0.821 1.00 0.00 C ATOM 232 O ARG A 16 2.642 -6.066 -1.993 1.00 0.00 O ATOM 233 CB ARG A 16 4.239 -8.408 -1.387 1.00 0.00 C ATOM 234 CG ARG A 16 5.669 -7.975 -1.115 1.00 0.00 C ATOM 235 CD ARG A 16 6.627 -9.158 -1.127 1.00 0.00 C ATOM 236 NE ARG A 16 6.507 -9.951 -2.355 1.00 0.00 N ATOM 237 CZ ARG A 16 6.930 -9.550 -3.556 1.00 0.00 C ATOM 238 NH1 ARG A 16 7.519 -8.370 -3.707 1.00 0.00 N ATOM 239 NH2 ARG A 16 6.762 -10.334 -4.609 1.00 0.00 N ATOM 0 H ARG A 16 1.784 -9.041 -1.338 1.00 0.00 H new ATOM 0 HA ARG A 16 3.640 -7.797 0.568 1.00 0.00 H new ATOM 0 HB2 ARG A 16 4.182 -9.495 -1.323 1.00 0.00 H new ATOM 0 HB3 ARG A 16 3.977 -8.135 -2.409 1.00 0.00 H new ATOM 0 HG2 ARG A 16 5.978 -7.248 -1.866 1.00 0.00 H new ATOM 0 HG3 ARG A 16 5.720 -7.475 -0.148 1.00 0.00 H new ATOM 0 HD2 ARG A 16 7.650 -8.796 -1.028 1.00 0.00 H new ATOM 0 HD3 ARG A 16 6.428 -9.794 -0.264 1.00 0.00 H new ATOM 0 HE ARG A 16 6.071 -10.871 -2.287 1.00 0.00 H new ATOM 0 HH11 ARG A 16 7.652 -7.760 -2.901 1.00 0.00 H new ATOM 0 HH12 ARG A 16 7.838 -8.074 -4.629 1.00 0.00 H new ATOM 0 HH21 ARG A 16 6.310 -11.242 -4.502 1.00 0.00 H new ATOM 0 HH22 ARG A 16 7.084 -10.030 -5.528 1.00 0.00 H new ATOM 253 N VAL A 17 2.806 -5.488 0.182 1.00 0.00 N ATOM 254 CA VAL A 17 2.458 -4.083 -0.038 1.00 0.00 C ATOM 255 C VAL A 17 3.689 -3.229 -0.367 1.00 0.00 C ATOM 256 O VAL A 17 4.792 -3.501 0.111 1.00 0.00 O ATOM 257 CB VAL A 17 1.759 -3.472 1.205 1.00 0.00 C ATOM 258 CG1 VAL A 17 2.677 -3.480 2.421 1.00 0.00 C ATOM 259 CG2 VAL A 17 1.279 -2.057 0.911 1.00 0.00 C ATOM 0 H VAL A 17 2.991 -5.727 1.156 1.00 0.00 H new ATOM 0 HA VAL A 17 1.777 -4.073 -0.889 1.00 0.00 H new ATOM 0 HB VAL A 17 0.894 -4.094 1.435 1.00 0.00 H new ATOM 0 HG11 VAL A 17 2.155 -3.045 3.274 1.00 0.00 H new ATOM 0 HG12 VAL A 17 2.962 -4.506 2.655 1.00 0.00 H new ATOM 0 HG13 VAL A 17 3.571 -2.895 2.206 1.00 0.00 H new ATOM 0 HG21 VAL A 17 0.792 -1.647 1.796 1.00 0.00 H new ATOM 0 HG22 VAL A 17 2.131 -1.432 0.643 1.00 0.00 H new ATOM 0 HG23 VAL A 17 0.570 -2.078 0.083 1.00 0.00 H new ATOM 269 N SER A 18 3.481 -2.181 -1.167 1.00 0.00 N ATOM 270 CA SER A 18 4.557 -1.260 -1.546 1.00 0.00 C ATOM 271 C SER A 18 4.039 0.177 -1.613 1.00 0.00 C ATOM 272 O SER A 18 3.075 0.464 -2.318 1.00 0.00 O ATOM 273 CB SER A 18 5.162 -1.653 -2.896 1.00 0.00 C ATOM 274 OG SER A 18 4.157 -1.784 -3.889 1.00 0.00 O ATOM 0 H SER A 18 2.572 -1.947 -1.567 1.00 0.00 H new ATOM 0 HA SER A 18 5.332 -1.323 -0.782 1.00 0.00 H new ATOM 0 HB2 SER A 18 5.887 -0.900 -3.206 1.00 0.00 H new ATOM 0 HB3 SER A 18 5.703 -2.594 -2.795 1.00 0.00 H new ATOM 0 HG SER A 18 4.201 -2.680 -4.283 1.00 0.00 H new ATOM 280 N LEU A 19 4.684 1.078 -0.877 1.00 0.00 N ATOM 281 CA LEU A 19 4.276 2.484 -0.861 1.00 0.00 C ATOM 282 C LEU A 19 5.026 3.283 -1.929 1.00 0.00 C ATOM 283 O LEU A 19 6.243 3.151 -2.069 1.00 0.00 O ATOM 284 CB LEU A 19 4.514 3.095 0.521 1.00 0.00 C ATOM 285 CG LEU A 19 3.367 2.905 1.517 1.00 0.00 C ATOM 286 CD1 LEU A 19 3.791 2.001 2.666 1.00 0.00 C ATOM 287 CD2 LEU A 19 2.894 4.250 2.041 1.00 0.00 C ATOM 0 H LEU A 19 5.487 0.864 -0.286 1.00 0.00 H new ATOM 0 HA LEU A 19 3.210 2.529 -1.085 1.00 0.00 H new ATOM 0 HB2 LEU A 19 5.419 2.659 0.944 1.00 0.00 H new ATOM 0 HB3 LEU A 19 4.700 4.163 0.403 1.00 0.00 H new ATOM 0 HG LEU A 19 2.538 2.424 0.997 1.00 0.00 H new ATOM 0 HD11 LEU A 19 2.959 1.881 3.360 1.00 0.00 H new ATOM 0 HD12 LEU A 19 4.080 1.026 2.274 1.00 0.00 H new ATOM 0 HD13 LEU A 19 4.637 2.448 3.187 1.00 0.00 H new ATOM 0 HD21 LEU A 19 2.078 4.099 2.748 1.00 0.00 H new ATOM 0 HD22 LEU A 19 3.719 4.756 2.542 1.00 0.00 H new ATOM 0 HD23 LEU A 19 2.545 4.862 1.209 1.00 0.00 H new ATOM 299 N ASP A 20 4.291 4.104 -2.688 1.00 0.00 N ATOM 300 CA ASP A 20 4.898 4.908 -3.750 1.00 0.00 C ATOM 301 C ASP A 20 4.114 6.200 -4.021 1.00 0.00 C ATOM 302 O ASP A 20 3.533 6.376 -5.095 1.00 0.00 O ATOM 303 CB ASP A 20 5.002 4.074 -5.032 1.00 0.00 C ATOM 304 CG ASP A 20 5.781 4.775 -6.130 1.00 0.00 C ATOM 305 OD1 ASP A 20 6.970 5.093 -5.909 1.00 0.00 O ATOM 306 OD2 ASP A 20 5.201 5.005 -7.212 1.00 0.00 O ATOM 0 H ASP A 20 3.284 4.227 -2.587 1.00 0.00 H new ATOM 0 HA ASP A 20 5.894 5.200 -3.416 1.00 0.00 H new ATOM 0 HB2 ASP A 20 5.482 3.123 -4.803 1.00 0.00 H new ATOM 0 HB3 ASP A 20 3.999 3.846 -5.394 1.00 0.00 H new ATOM 311 N VAL A 21 4.120 7.109 -3.047 1.00 0.00 N ATOM 312 CA VAL A 21 3.430 8.397 -3.182 1.00 0.00 C ATOM 313 C VAL A 21 4.133 9.472 -2.352 1.00 0.00 C ATOM 314 O VAL A 21 4.980 10.203 -2.868 1.00 0.00 O ATOM 315 CB VAL A 21 1.937 8.303 -2.777 1.00 0.00 C ATOM 316 CG1 VAL A 21 1.263 9.667 -2.860 1.00 0.00 C ATOM 317 CG2 VAL A 21 1.208 7.303 -3.655 1.00 0.00 C ATOM 0 H VAL A 21 4.595 6.980 -2.154 1.00 0.00 H new ATOM 0 HA VAL A 21 3.469 8.674 -4.236 1.00 0.00 H new ATOM 0 HB VAL A 21 1.890 7.960 -1.743 1.00 0.00 H new ATOM 0 HG11 VAL A 21 0.216 9.574 -2.571 1.00 0.00 H new ATOM 0 HG12 VAL A 21 1.765 10.362 -2.187 1.00 0.00 H new ATOM 0 HG13 VAL A 21 1.325 10.042 -3.882 1.00 0.00 H new ATOM 0 HG21 VAL A 21 0.161 7.251 -3.355 1.00 0.00 H new ATOM 0 HG22 VAL A 21 1.272 7.618 -4.696 1.00 0.00 H new ATOM 0 HG23 VAL A 21 1.666 6.320 -3.545 1.00 0.00 H new ATOM 327 N ASP A 22 3.793 9.551 -1.068 1.00 0.00 N ATOM 328 CA ASP A 22 4.406 10.522 -0.164 1.00 0.00 C ATOM 329 C ASP A 22 5.432 9.842 0.748 1.00 0.00 C ATOM 330 O ASP A 22 6.238 10.513 1.394 1.00 0.00 O ATOM 331 CB ASP A 22 3.330 11.217 0.678 1.00 0.00 C ATOM 332 CG ASP A 22 2.425 12.105 -0.153 1.00 0.00 C ATOM 333 OD1 ASP A 22 2.865 13.208 -0.538 1.00 0.00 O ATOM 334 OD2 ASP A 22 1.275 11.696 -0.418 1.00 0.00 O ATOM 0 H ASP A 22 3.094 8.952 -0.628 1.00 0.00 H new ATOM 0 HA ASP A 22 4.922 11.270 -0.765 1.00 0.00 H new ATOM 0 HB2 ASP A 22 2.728 10.464 1.185 1.00 0.00 H new ATOM 0 HB3 ASP A 22 3.810 11.816 1.452 1.00 0.00 H new ATOM 339 N ASN A 23 5.393 8.507 0.790 1.00 0.00 N ATOM 340 CA ASN A 23 6.311 7.728 1.615 1.00 0.00 C ATOM 341 C ASN A 23 6.818 6.506 0.843 1.00 0.00 C ATOM 342 O ASN A 23 6.366 5.384 1.071 1.00 0.00 O ATOM 343 CB ASN A 23 5.616 7.284 2.909 1.00 0.00 C ATOM 344 CG ASN A 23 4.777 8.384 3.542 1.00 0.00 C ATOM 345 OD1 ASN A 23 3.674 8.681 3.079 1.00 0.00 O ATOM 346 ND2 ASN A 23 5.289 8.995 4.605 1.00 0.00 N ATOM 0 H ASN A 23 4.730 7.944 0.258 1.00 0.00 H new ATOM 0 HA ASN A 23 7.164 8.356 1.872 1.00 0.00 H new ATOM 0 HB2 ASN A 23 4.979 6.426 2.696 1.00 0.00 H new ATOM 0 HB3 ASN A 23 6.369 6.952 3.624 1.00 0.00 H new ATOM 0 HD21 ASN A 23 4.765 9.738 5.067 1.00 0.00 H new ATOM 0 HD22 ASN A 23 6.206 8.721 4.959 1.00 0.00 H new ATOM 353 N GLY A 24 7.758 6.739 -0.077 1.00 0.00 N ATOM 354 CA GLY A 24 8.311 5.654 -0.878 1.00 0.00 C ATOM 355 C GLY A 24 9.038 4.623 -0.035 1.00 0.00 C ATOM 356 O GLY A 24 10.206 4.810 0.308 1.00 0.00 O ATOM 0 H GLY A 24 8.146 7.660 -0.281 1.00 0.00 H new ATOM 0 HA2 GLY A 24 7.507 5.167 -1.429 1.00 0.00 H new ATOM 0 HA3 GLY A 24 8.999 6.066 -1.616 1.00 0.00 H new ATOM 360 N ASN A 25 8.343 3.539 0.302 1.00 0.00 N ATOM 361 CA ASN A 25 8.924 2.476 1.121 1.00 0.00 C ATOM 362 C ASN A 25 9.108 1.184 0.322 1.00 0.00 C ATOM 363 O ASN A 25 8.563 1.029 -0.772 1.00 0.00 O ATOM 364 CB ASN A 25 8.044 2.214 2.345 1.00 0.00 C ATOM 365 CG ASN A 25 8.816 2.343 3.646 1.00 0.00 C ATOM 366 OD1 ASN A 25 8.568 3.418 4.385 1.00 0.00 O flip ATOM 367 ND2 ASN A 25 9.629 1.482 3.982 1.00 0.00 N flip ATOM 0 H ASN A 25 7.377 3.373 0.021 1.00 0.00 H new ATOM 0 HA ASN A 25 9.909 2.810 1.447 1.00 0.00 H new ATOM 0 HB2 ASN A 25 7.211 2.917 2.348 1.00 0.00 H new ATOM 0 HB3 ASN A 25 7.617 1.213 2.276 1.00 0.00 H new ATOM 0 HD21 ASN A 25 9.789 0.671 3.384 1.00 0.00 H new ATOM 0 HD22 ASN A 25 10.142 1.579 4.858 1.00 0.00 H new ATOM 374 N MET A 26 9.883 0.259 0.888 1.00 0.00 N ATOM 375 CA MET A 26 10.151 -1.027 0.244 1.00 0.00 C ATOM 376 C MET A 26 8.970 -1.989 0.406 1.00 0.00 C ATOM 377 O MET A 26 8.124 -1.805 1.287 1.00 0.00 O ATOM 378 CB MET A 26 11.424 -1.653 0.829 1.00 0.00 C ATOM 379 CG MET A 26 12.678 -1.347 0.024 1.00 0.00 C ATOM 380 SD MET A 26 12.777 -2.303 -1.501 1.00 0.00 S ATOM 381 CE MET A 26 13.555 -3.804 -0.910 1.00 0.00 C ATOM 0 H MET A 26 10.337 0.377 1.794 1.00 0.00 H new ATOM 0 HA MET A 26 10.294 -0.847 -0.821 1.00 0.00 H new ATOM 0 HB2 MET A 26 11.560 -1.293 1.849 1.00 0.00 H new ATOM 0 HB3 MET A 26 11.294 -2.734 0.887 1.00 0.00 H new ATOM 0 HG2 MET A 26 12.700 -0.284 -0.216 1.00 0.00 H new ATOM 0 HG3 MET A 26 13.557 -1.554 0.635 1.00 0.00 H new ATOM 0 HE1 MET A 26 13.685 -4.498 -1.740 1.00 0.00 H new ATOM 0 HE2 MET A 26 14.528 -3.565 -0.482 1.00 0.00 H new ATOM 0 HE3 MET A 26 12.926 -4.264 -0.148 1.00 0.00 H new ATOM 391 N TYR A 27 8.921 -3.014 -0.449 1.00 0.00 N ATOM 392 CA TYR A 27 7.846 -4.009 -0.405 1.00 0.00 C ATOM 393 C TYR A 27 7.830 -4.740 0.936 1.00 0.00 C ATOM 394 O TYR A 27 8.882 -5.069 1.486 1.00 0.00 O ATOM 395 CB TYR A 27 8.007 -5.028 -1.539 1.00 0.00 C ATOM 396 CG TYR A 27 7.054 -4.821 -2.696 1.00 0.00 C ATOM 397 CD1 TYR A 27 5.679 -4.931 -2.525 1.00 0.00 C ATOM 398 CD2 TYR A 27 7.535 -4.519 -3.964 1.00 0.00 C ATOM 399 CE1 TYR A 27 4.812 -4.745 -3.586 1.00 0.00 C ATOM 400 CE2 TYR A 27 6.673 -4.333 -5.028 1.00 0.00 C ATOM 401 CZ TYR A 27 5.315 -4.446 -4.833 1.00 0.00 C ATOM 402 OH TYR A 27 4.454 -4.262 -5.890 1.00 0.00 O ATOM 0 H TYR A 27 9.613 -3.177 -1.180 1.00 0.00 H new ATOM 0 HA TYR A 27 6.901 -3.479 -0.528 1.00 0.00 H new ATOM 0 HB2 TYR A 27 9.030 -4.981 -1.912 1.00 0.00 H new ATOM 0 HB3 TYR A 27 7.860 -6.030 -1.136 1.00 0.00 H new ATOM 0 HD1 TYR A 27 5.282 -5.165 -1.548 1.00 0.00 H new ATOM 0 HD2 TYR A 27 8.600 -4.428 -4.121 1.00 0.00 H new ATOM 0 HE1 TYR A 27 3.746 -4.834 -3.438 1.00 0.00 H new ATOM 0 HE2 TYR A 27 7.063 -4.100 -6.008 1.00 0.00 H new ATOM 0 HH TYR A 27 4.416 -5.081 -6.427 1.00 0.00 H new ATOM 412 N LYS A 28 6.627 -4.997 1.452 1.00 0.00 N ATOM 413 CA LYS A 28 6.468 -5.695 2.728 1.00 0.00 C ATOM 414 C LYS A 28 5.187 -6.531 2.726 1.00 0.00 C ATOM 415 O LYS A 28 4.096 -5.999 2.519 1.00 0.00 O ATOM 416 CB LYS A 28 6.430 -4.699 3.899 1.00 0.00 C ATOM 417 CG LYS A 28 7.671 -3.822 4.028 1.00 0.00 C ATOM 418 CD LYS A 28 8.882 -4.614 4.500 1.00 0.00 C ATOM 419 CE LYS A 28 10.187 -3.953 4.072 1.00 0.00 C ATOM 420 NZ LYS A 28 10.255 -2.519 4.483 1.00 0.00 N ATOM 0 H LYS A 28 5.749 -4.732 1.006 1.00 0.00 H new ATOM 0 HA LYS A 28 7.327 -6.354 2.856 1.00 0.00 H new ATOM 0 HB2 LYS A 28 5.557 -4.056 3.784 1.00 0.00 H new ATOM 0 HB3 LYS A 28 6.296 -5.255 4.827 1.00 0.00 H new ATOM 0 HG2 LYS A 28 7.892 -3.362 3.065 1.00 0.00 H new ATOM 0 HG3 LYS A 28 7.471 -3.012 4.730 1.00 0.00 H new ATOM 0 HD2 LYS A 28 8.858 -4.703 5.586 1.00 0.00 H new ATOM 0 HD3 LYS A 28 8.836 -5.625 4.096 1.00 0.00 H new ATOM 0 HE2 LYS A 28 11.026 -4.494 4.508 1.00 0.00 H new ATOM 0 HE3 LYS A 28 10.290 -4.024 2.989 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 11.226 -2.167 4.357 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 9.604 -1.959 3.896 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 9.982 -2.431 5.483 1.00 0.00 H new ATOM 434 N SER A 29 5.317 -7.836 2.961 1.00 0.00 N ATOM 435 CA SER A 29 4.153 -8.718 2.987 1.00 0.00 C ATOM 436 C SER A 29 3.495 -8.689 4.368 1.00 0.00 C ATOM 437 O SER A 29 4.181 -8.719 5.394 1.00 0.00 O ATOM 438 CB SER A 29 4.549 -10.152 2.601 1.00 0.00 C ATOM 439 OG SER A 29 4.308 -11.073 3.655 1.00 0.00 O ATOM 0 H SER A 29 6.208 -8.302 3.134 1.00 0.00 H new ATOM 0 HA SER A 29 3.431 -8.359 2.254 1.00 0.00 H new ATOM 0 HB2 SER A 29 3.988 -10.457 1.718 1.00 0.00 H new ATOM 0 HB3 SER A 29 5.605 -10.177 2.333 1.00 0.00 H new ATOM 0 HG SER A 29 4.571 -11.973 3.370 1.00 0.00 H new ATOM 445 N ILE A 30 2.166 -8.617 4.385 1.00 0.00 N ATOM 446 CA ILE A 30 1.412 -8.569 5.638 1.00 0.00 C ATOM 447 C ILE A 30 0.222 -9.528 5.607 1.00 0.00 C ATOM 448 O ILE A 30 -0.422 -9.696 4.568 1.00 0.00 O ATOM 449 CB ILE A 30 0.884 -7.141 5.945 1.00 0.00 C ATOM 450 CG1 ILE A 30 1.672 -6.062 5.183 1.00 0.00 C ATOM 451 CG2 ILE A 30 0.921 -6.864 7.443 1.00 0.00 C ATOM 452 CD1 ILE A 30 3.026 -5.743 5.784 1.00 0.00 C ATOM 0 H ILE A 30 1.588 -8.591 3.545 1.00 0.00 H new ATOM 0 HA ILE A 30 2.108 -8.868 6.422 1.00 0.00 H new ATOM 0 HB ILE A 30 -0.150 -7.098 5.603 1.00 0.00 H new ATOM 0 HG12 ILE A 30 1.812 -6.389 4.153 1.00 0.00 H new ATOM 0 HG13 ILE A 30 1.077 -5.149 5.149 1.00 0.00 H new ATOM 0 HG21 ILE A 30 0.547 -5.859 7.636 1.00 0.00 H new ATOM 0 HG22 ILE A 30 0.296 -7.590 7.963 1.00 0.00 H new ATOM 0 HG23 ILE A 30 1.947 -6.945 7.803 1.00 0.00 H new ATOM 0 HD11 ILE A 30 3.517 -4.974 5.188 1.00 0.00 H new ATOM 0 HD12 ILE A 30 2.895 -5.383 6.805 1.00 0.00 H new ATOM 0 HD13 ILE A 30 3.641 -6.643 5.792 1.00 0.00 H new ATOM 464 N LEU A 31 -0.076 -10.142 6.754 1.00 0.00 N ATOM 465 CA LEU A 31 -1.204 -11.067 6.853 1.00 0.00 C ATOM 466 C LEU A 31 -2.515 -10.286 6.898 1.00 0.00 C ATOM 467 O LEU A 31 -2.845 -9.659 7.907 1.00 0.00 O ATOM 468 CB LEU A 31 -1.074 -11.962 8.090 1.00 0.00 C ATOM 469 CG LEU A 31 -0.219 -13.215 7.887 1.00 0.00 C ATOM 470 CD1 LEU A 31 0.766 -13.382 9.034 1.00 0.00 C ATOM 471 CD2 LEU A 31 -1.101 -14.447 7.755 1.00 0.00 C ATOM 0 H LEU A 31 0.445 -10.016 7.622 1.00 0.00 H new ATOM 0 HA LEU A 31 -1.201 -11.709 5.972 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -0.646 -11.375 8.903 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -2.071 -12.267 8.407 1.00 0.00 H new ATOM 0 HG LEU A 31 0.348 -13.098 6.963 1.00 0.00 H new ATOM 0 HD11 LEU A 31 1.365 -14.278 8.872 1.00 0.00 H new ATOM 0 HD12 LEU A 31 1.421 -12.512 9.081 1.00 0.00 H new ATOM 0 HD13 LEU A 31 0.219 -13.476 9.972 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -0.476 -15.328 7.611 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -1.696 -14.568 8.661 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -1.765 -14.329 6.898 1.00 0.00 H new ATOM 483 N VAL A 32 -3.242 -10.316 5.786 1.00 0.00 N ATOM 484 CA VAL A 32 -4.511 -9.600 5.663 1.00 0.00 C ATOM 485 C VAL A 32 -5.686 -10.570 5.538 1.00 0.00 C ATOM 486 O VAL A 32 -5.493 -11.776 5.375 1.00 0.00 O ATOM 487 CB VAL A 32 -4.501 -8.666 4.428 1.00 0.00 C ATOM 488 CG1 VAL A 32 -5.481 -7.517 4.602 1.00 0.00 C ATOM 489 CG2 VAL A 32 -3.102 -8.127 4.158 1.00 0.00 C ATOM 0 H VAL A 32 -2.973 -10.833 4.949 1.00 0.00 H new ATOM 0 HA VAL A 32 -4.631 -9.006 6.569 1.00 0.00 H new ATOM 0 HB VAL A 32 -4.814 -9.259 3.568 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -5.452 -6.878 3.720 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -6.488 -7.914 4.730 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -5.206 -6.934 5.481 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -3.126 -7.474 3.285 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -2.756 -7.563 5.024 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -2.422 -8.958 3.971 1.00 0.00 H new ATOM 499 N THR A 33 -6.907 -10.037 5.607 1.00 0.00 N ATOM 500 CA THR A 33 -8.108 -10.859 5.489 1.00 0.00 C ATOM 501 C THR A 33 -8.615 -10.866 4.046 1.00 0.00 C ATOM 502 O THR A 33 -8.264 -9.991 3.251 1.00 0.00 O ATOM 503 CB THR A 33 -9.212 -10.351 6.425 1.00 0.00 C ATOM 504 OG1 THR A 33 -9.686 -9.078 6.013 1.00 0.00 O ATOM 505 CG2 THR A 33 -8.771 -10.236 7.869 1.00 0.00 C ATOM 0 H THR A 33 -7.088 -9.043 5.744 1.00 0.00 H new ATOM 0 HA THR A 33 -7.846 -11.877 5.778 1.00 0.00 H new ATOM 0 HB THR A 33 -10.002 -11.100 6.363 1.00 0.00 H new ATOM 0 HG1 THR A 33 -9.016 -8.395 6.226 1.00 0.00 H new ATOM 0 HG21 THR A 33 -9.601 -9.871 8.475 1.00 0.00 H new ATOM 0 HG22 THR A 33 -8.459 -11.215 8.233 1.00 0.00 H new ATOM 0 HG23 THR A 33 -7.936 -9.539 7.940 1.00 0.00 H new ATOM 513 N SER A 34 -9.447 -11.852 3.716 1.00 0.00 N ATOM 514 CA SER A 34 -10.009 -11.963 2.369 1.00 0.00 C ATOM 515 C SER A 34 -11.044 -10.864 2.120 1.00 0.00 C ATOM 516 O SER A 34 -11.226 -10.420 0.985 1.00 0.00 O ATOM 517 CB SER A 34 -10.638 -13.344 2.156 1.00 0.00 C ATOM 518 OG SER A 34 -9.660 -14.295 1.769 1.00 0.00 O ATOM 0 H SER A 34 -9.747 -12.584 4.360 1.00 0.00 H new ATOM 0 HA SER A 34 -9.196 -11.839 1.654 1.00 0.00 H new ATOM 0 HB2 SER A 34 -11.125 -13.671 3.075 1.00 0.00 H new ATOM 0 HB3 SER A 34 -11.412 -13.281 1.391 1.00 0.00 H new ATOM 0 HG SER A 34 -10.086 -15.168 1.641 1.00 0.00 H new ATOM 524 N GLN A 35 -11.712 -10.423 3.189 1.00 0.00 N ATOM 525 CA GLN A 35 -12.719 -9.372 3.096 1.00 0.00 C ATOM 526 C GLN A 35 -12.235 -8.093 3.790 1.00 0.00 C ATOM 527 O GLN A 35 -12.993 -7.434 4.507 1.00 0.00 O ATOM 528 CB GLN A 35 -14.032 -9.857 3.720 1.00 0.00 C ATOM 529 CG GLN A 35 -15.241 -9.679 2.816 1.00 0.00 C ATOM 530 CD GLN A 35 -16.183 -8.595 3.305 1.00 0.00 C ATOM 531 OE1 GLN A 35 -16.273 -7.524 2.705 1.00 0.00 O ATOM 532 NE2 GLN A 35 -16.888 -8.859 4.400 1.00 0.00 N ATOM 0 H GLN A 35 -11.570 -10.782 4.133 1.00 0.00 H new ATOM 0 HA GLN A 35 -12.889 -9.141 2.044 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -13.934 -10.912 3.977 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -14.203 -9.317 4.651 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -14.904 -9.434 1.809 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -15.782 -10.623 2.750 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -16.785 -9.759 4.868 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -17.532 -8.161 4.772 1.00 0.00 H new ATOM 541 N ASP A 36 -10.962 -7.752 3.572 1.00 0.00 N ATOM 542 CA ASP A 36 -10.366 -6.560 4.174 1.00 0.00 C ATOM 543 C ASP A 36 -10.933 -5.277 3.559 1.00 0.00 C ATOM 544 O ASP A 36 -11.657 -5.318 2.560 1.00 0.00 O ATOM 545 CB ASP A 36 -8.841 -6.596 4.012 1.00 0.00 C ATOM 546 CG ASP A 36 -8.112 -5.963 5.179 1.00 0.00 C ATOM 547 OD1 ASP A 36 -8.230 -6.485 6.308 1.00 0.00 O ATOM 548 OD2 ASP A 36 -7.415 -4.949 4.965 1.00 0.00 O ATOM 0 H ASP A 36 -10.325 -8.287 2.982 1.00 0.00 H new ATOM 0 HA ASP A 36 -10.616 -6.559 5.235 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -8.516 -7.631 3.905 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -8.565 -6.078 3.093 1.00 0.00 H new ATOM 553 N LYS A 37 -10.602 -4.139 4.170 1.00 0.00 N ATOM 554 CA LYS A 37 -11.076 -2.838 3.696 1.00 0.00 C ATOM 555 C LYS A 37 -9.951 -1.805 3.729 1.00 0.00 C ATOM 556 O LYS A 37 -9.003 -1.943 4.501 1.00 0.00 O ATOM 557 CB LYS A 37 -12.253 -2.346 4.547 1.00 0.00 C ATOM 558 CG LYS A 37 -13.252 -3.432 4.924 1.00 0.00 C ATOM 559 CD LYS A 37 -14.398 -3.510 3.929 1.00 0.00 C ATOM 560 CE LYS A 37 -14.894 -4.936 3.761 1.00 0.00 C ATOM 561 NZ LYS A 37 -14.424 -5.538 2.484 1.00 0.00 N ATOM 0 H LYS A 37 -10.006 -4.092 4.996 1.00 0.00 H new ATOM 0 HA LYS A 37 -11.411 -2.962 2.666 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -11.863 -1.895 5.459 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -12.777 -1.560 4.002 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -12.743 -4.395 4.970 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -13.647 -3.233 5.920 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -15.218 -2.876 4.266 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -14.071 -3.122 2.965 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -14.547 -5.542 4.598 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -15.984 -4.947 3.789 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -14.865 -6.472 2.357 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -14.689 -4.920 1.691 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -13.390 -5.644 2.510 1.00 0.00 H new ATOM 575 N ALA A 38 -10.069 -0.773 2.885 1.00 0.00 N ATOM 576 CA ALA A 38 -9.062 0.298 2.803 1.00 0.00 C ATOM 577 C ALA A 38 -8.471 0.666 4.170 1.00 0.00 C ATOM 578 O ALA A 38 -7.262 0.539 4.376 1.00 0.00 O ATOM 579 CB ALA A 38 -9.656 1.535 2.141 1.00 0.00 C ATOM 0 H ALA A 38 -10.855 -0.655 2.245 1.00 0.00 H new ATOM 0 HA ALA A 38 -8.244 -0.087 2.194 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -8.899 2.318 2.088 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -9.990 1.284 1.134 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -10.504 1.889 2.727 1.00 0.00 H new ATOM 585 N PRO A 39 -9.308 1.138 5.124 1.00 0.00 N ATOM 586 CA PRO A 39 -8.845 1.531 6.463 1.00 0.00 C ATOM 587 C PRO A 39 -7.981 0.462 7.134 1.00 0.00 C ATOM 588 O PRO A 39 -6.999 0.782 7.810 1.00 0.00 O ATOM 589 CB PRO A 39 -10.143 1.757 7.259 1.00 0.00 C ATOM 590 CG PRO A 39 -11.257 1.275 6.387 1.00 0.00 C ATOM 591 CD PRO A 39 -10.756 1.340 4.972 1.00 0.00 C ATOM 0 HA PRO A 39 -8.206 2.413 6.414 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -10.122 1.210 8.201 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -10.270 2.811 7.505 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -11.542 0.256 6.650 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -12.144 1.896 6.513 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -11.208 0.569 4.348 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -10.983 2.299 4.507 1.00 0.00 H new ATOM 599 N ALA A 40 -8.343 -0.804 6.939 1.00 0.00 N ATOM 600 CA ALA A 40 -7.596 -1.915 7.519 1.00 0.00 C ATOM 601 C ALA A 40 -6.297 -2.169 6.752 1.00 0.00 C ATOM 602 O ALA A 40 -5.273 -2.505 7.351 1.00 0.00 O ATOM 603 CB ALA A 40 -8.452 -3.173 7.547 1.00 0.00 C ATOM 0 H ALA A 40 -9.150 -1.085 6.383 1.00 0.00 H new ATOM 0 HA ALA A 40 -7.334 -1.646 8.542 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -7.880 -3.993 7.982 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -9.344 -2.993 8.148 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -8.746 -3.436 6.531 1.00 0.00 H new ATOM 609 N VAL A 41 -6.342 -2.008 5.425 1.00 0.00 N ATOM 610 CA VAL A 41 -5.164 -2.221 4.580 1.00 0.00 C ATOM 611 C VAL A 41 -3.990 -1.370 5.053 1.00 0.00 C ATOM 612 O VAL A 41 -2.902 -1.891 5.313 1.00 0.00 O ATOM 613 CB VAL A 41 -5.440 -1.889 3.096 1.00 0.00 C ATOM 614 CG1 VAL A 41 -4.277 -2.342 2.224 1.00 0.00 C ATOM 615 CG2 VAL A 41 -6.739 -2.520 2.622 1.00 0.00 C ATOM 0 H VAL A 41 -7.181 -1.731 4.914 1.00 0.00 H new ATOM 0 HA VAL A 41 -4.919 -3.280 4.665 1.00 0.00 H new ATOM 0 HB VAL A 41 -5.542 -0.807 3.008 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -4.488 -2.101 1.182 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -3.367 -1.831 2.538 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -4.143 -3.419 2.327 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -6.905 -2.268 1.575 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -6.678 -3.603 2.729 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -7.567 -2.142 3.222 1.00 0.00 H new ATOM 625 N ILE A 42 -4.217 -0.061 5.167 1.00 0.00 N ATOM 626 CA ILE A 42 -3.176 0.858 5.615 1.00 0.00 C ATOM 627 C ILE A 42 -2.694 0.486 7.016 1.00 0.00 C ATOM 628 O ILE A 42 -1.501 0.564 7.306 1.00 0.00 O ATOM 629 CB ILE A 42 -3.664 2.323 5.606 1.00 0.00 C ATOM 630 CG1 ILE A 42 -3.944 2.779 4.171 1.00 0.00 C ATOM 631 CG2 ILE A 42 -2.637 3.239 6.261 1.00 0.00 C ATOM 632 CD1 ILE A 42 -5.414 2.952 3.865 1.00 0.00 C ATOM 0 H ILE A 42 -5.110 0.384 4.955 1.00 0.00 H new ATOM 0 HA ILE A 42 -2.347 0.770 4.913 1.00 0.00 H new ATOM 0 HB ILE A 42 -4.589 2.380 6.180 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -3.431 3.724 3.993 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -3.521 2.051 3.479 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -3.002 4.266 6.243 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -2.478 2.928 7.294 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -1.695 3.179 5.715 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -5.535 3.276 2.831 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -5.930 2.003 4.010 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -5.839 3.702 4.532 1.00 0.00 H new ATOM 644 N ARG A 43 -3.626 0.069 7.877 1.00 0.00 N ATOM 645 CA ARG A 43 -3.287 -0.328 9.242 1.00 0.00 C ATOM 646 C ARG A 43 -2.209 -1.415 9.244 1.00 0.00 C ATOM 647 O ARG A 43 -1.224 -1.315 9.973 1.00 0.00 O ATOM 648 CB ARG A 43 -4.534 -0.820 9.987 1.00 0.00 C ATOM 649 CG ARG A 43 -4.772 -0.112 11.314 1.00 0.00 C ATOM 650 CD ARG A 43 -5.155 1.347 11.112 1.00 0.00 C ATOM 651 NE ARG A 43 -6.468 1.485 10.479 1.00 0.00 N ATOM 652 CZ ARG A 43 -7.591 1.801 11.127 1.00 0.00 C ATOM 653 NH1 ARG A 43 -7.590 1.976 12.444 1.00 0.00 N ATOM 654 NH2 ARG A 43 -8.722 1.934 10.452 1.00 0.00 N ATOM 0 H ARG A 43 -4.618 -0.002 7.652 1.00 0.00 H new ATOM 0 HA ARG A 43 -2.894 0.548 9.758 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -5.407 -0.680 9.349 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -4.440 -1.891 10.168 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -5.563 -0.623 11.863 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -3.871 -0.171 11.925 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -5.161 1.857 12.075 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -4.402 1.838 10.496 1.00 0.00 H new ATOM 0 HE ARG A 43 -6.529 1.329 9.473 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -6.724 1.869 12.972 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -8.455 2.217 12.927 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -8.732 1.795 9.442 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -9.583 2.175 10.942 1.00 0.00 H new ATOM 668 N LYS A 44 -2.398 -2.444 8.413 1.00 0.00 N ATOM 669 CA LYS A 44 -1.431 -3.538 8.318 1.00 0.00 C ATOM 670 C LYS A 44 -0.148 -3.075 7.624 1.00 0.00 C ATOM 671 O LYS A 44 0.957 -3.416 8.053 1.00 0.00 O ATOM 672 CB LYS A 44 -2.037 -4.731 7.573 1.00 0.00 C ATOM 673 CG LYS A 44 -2.666 -5.761 8.500 1.00 0.00 C ATOM 674 CD LYS A 44 -3.627 -6.677 7.758 1.00 0.00 C ATOM 675 CE LYS A 44 -5.020 -6.074 7.668 1.00 0.00 C ATOM 676 NZ LYS A 44 -5.105 -5.032 6.608 1.00 0.00 N ATOM 0 H LYS A 44 -3.207 -2.541 7.800 1.00 0.00 H new ATOM 0 HA LYS A 44 -1.178 -3.852 9.331 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -2.793 -4.370 6.876 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -1.260 -5.213 6.979 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -1.882 -6.358 8.966 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -3.198 -5.251 9.303 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -3.247 -6.867 6.754 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -3.679 -7.639 8.267 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -5.744 -6.862 7.462 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -5.290 -5.637 8.629 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -6.079 -4.984 6.246 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -4.837 -4.109 7.006 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -4.458 -5.274 5.830 1.00 0.00 H new ATOM 690 N ALA A 45 -0.299 -2.286 6.558 1.00 0.00 N ATOM 691 CA ALA A 45 0.851 -1.767 5.821 1.00 0.00 C ATOM 692 C ALA A 45 1.700 -0.855 6.710 1.00 0.00 C ATOM 693 O ALA A 45 2.928 -0.903 6.656 1.00 0.00 O ATOM 694 CB ALA A 45 0.395 -1.029 4.568 1.00 0.00 C ATOM 0 H ALA A 45 -1.204 -1.994 6.188 1.00 0.00 H new ATOM 0 HA ALA A 45 1.470 -2.611 5.515 1.00 0.00 H new ATOM 0 HB1 ALA A 45 1.265 -0.650 4.032 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -0.158 -1.713 3.924 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -0.249 -0.196 4.850 1.00 0.00 H new ATOM 700 N MET A 46 1.038 -0.037 7.536 1.00 0.00 N ATOM 701 CA MET A 46 1.737 0.871 8.446 1.00 0.00 C ATOM 702 C MET A 46 2.513 0.087 9.508 1.00 0.00 C ATOM 703 O MET A 46 3.556 0.538 9.975 1.00 0.00 O ATOM 704 CB MET A 46 0.751 1.849 9.108 1.00 0.00 C ATOM 705 CG MET A 46 0.239 1.400 10.469 1.00 0.00 C ATOM 706 SD MET A 46 -1.358 2.126 10.887 1.00 0.00 S ATOM 707 CE MET A 46 -1.730 1.260 12.409 1.00 0.00 C ATOM 0 H MET A 46 0.021 0.013 7.591 1.00 0.00 H new ATOM 0 HA MET A 46 2.451 1.451 7.860 1.00 0.00 H new ATOM 0 HB2 MET A 46 1.238 2.818 9.218 1.00 0.00 H new ATOM 0 HB3 MET A 46 -0.100 1.994 8.443 1.00 0.00 H new ATOM 0 HG2 MET A 46 0.153 0.313 10.480 1.00 0.00 H new ATOM 0 HG3 MET A 46 0.967 1.670 11.234 1.00 0.00 H new ATOM 0 HE1 MET A 46 -2.722 1.547 12.757 1.00 0.00 H new ATOM 0 HE2 MET A 46 -1.704 0.185 12.232 1.00 0.00 H new ATOM 0 HE3 MET A 46 -0.990 1.521 13.166 1.00 0.00 H new ATOM 717 N ASP A 47 2.009 -1.098 9.876 1.00 0.00 N ATOM 718 CA ASP A 47 2.684 -1.937 10.869 1.00 0.00 C ATOM 719 C ASP A 47 4.107 -2.247 10.412 1.00 0.00 C ATOM 720 O ASP A 47 5.048 -2.224 11.210 1.00 0.00 O ATOM 721 CB ASP A 47 1.908 -3.240 11.101 1.00 0.00 C ATOM 722 CG ASP A 47 0.554 -3.018 11.754 1.00 0.00 C ATOM 723 OD1 ASP A 47 0.429 -2.082 12.573 1.00 0.00 O ATOM 724 OD2 ASP A 47 -0.382 -3.785 11.447 1.00 0.00 O ATOM 0 H ASP A 47 1.145 -1.493 9.504 1.00 0.00 H new ATOM 0 HA ASP A 47 2.723 -1.390 11.811 1.00 0.00 H new ATOM 0 HB2 ASP A 47 1.766 -3.746 10.146 1.00 0.00 H new ATOM 0 HB3 ASP A 47 2.503 -3.904 11.728 1.00 0.00 H new ATOM 729 N LYS A 48 4.259 -2.510 9.112 1.00 0.00 N ATOM 730 CA LYS A 48 5.571 -2.791 8.537 1.00 0.00 C ATOM 731 C LYS A 48 6.249 -1.489 8.104 1.00 0.00 C ATOM 732 O LYS A 48 7.476 -1.372 8.158 1.00 0.00 O ATOM 733 CB LYS A 48 5.458 -3.755 7.349 1.00 0.00 C ATOM 734 CG LYS A 48 6.161 -5.086 7.580 1.00 0.00 C ATOM 735 CD LYS A 48 7.648 -4.896 7.861 1.00 0.00 C ATOM 736 CE LYS A 48 7.951 -4.943 9.354 1.00 0.00 C ATOM 737 NZ LYS A 48 8.466 -3.639 9.869 1.00 0.00 N ATOM 0 H LYS A 48 3.491 -2.534 8.442 1.00 0.00 H new ATOM 0 HA LYS A 48 6.182 -3.270 9.302 1.00 0.00 H new ATOM 0 HB2 LYS A 48 4.404 -3.941 7.140 1.00 0.00 H new ATOM 0 HB3 LYS A 48 5.879 -3.279 6.463 1.00 0.00 H new ATOM 0 HG2 LYS A 48 5.695 -5.603 8.419 1.00 0.00 H new ATOM 0 HG3 LYS A 48 6.034 -5.722 6.704 1.00 0.00 H new ATOM 0 HD2 LYS A 48 8.217 -5.673 7.350 1.00 0.00 H new ATOM 0 HD3 LYS A 48 7.976 -3.940 7.453 1.00 0.00 H new ATOM 0 HE2 LYS A 48 7.046 -5.214 9.898 1.00 0.00 H new ATOM 0 HE3 LYS A 48 8.686 -5.724 9.549 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 8.038 -3.438 10.795 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 9.500 -3.689 9.969 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 8.219 -2.880 9.202 1.00 0.00 H new ATOM 751 N HIS A 49 5.437 -0.509 7.694 1.00 0.00 N ATOM 752 CA HIS A 49 5.930 0.791 7.268 1.00 0.00 C ATOM 753 C HIS A 49 5.548 1.858 8.292 1.00 0.00 C ATOM 754 O HIS A 49 4.874 2.836 7.964 1.00 0.00 O ATOM 755 CB HIS A 49 5.342 1.159 5.908 1.00 0.00 C ATOM 756 CG HIS A 49 5.590 0.148 4.838 1.00 0.00 C ATOM 757 ND1 HIS A 49 4.600 -0.649 4.310 1.00 0.00 N ATOM 758 CD2 HIS A 49 6.723 -0.174 4.181 1.00 0.00 C ATOM 759 CE1 HIS A 49 5.115 -1.419 3.370 1.00 0.00 C ATOM 760 NE2 HIS A 49 6.403 -1.151 3.270 1.00 0.00 N ATOM 0 H HIS A 49 4.422 -0.601 7.651 1.00 0.00 H new ATOM 0 HA HIS A 49 7.016 0.740 7.187 1.00 0.00 H new ATOM 0 HB2 HIS A 49 4.267 1.300 6.016 1.00 0.00 H new ATOM 0 HB3 HIS A 49 5.759 2.115 5.592 1.00 0.00 H new ATOM 0 HD1 HIS A 49 3.622 -0.645 4.600 1.00 0.00 H new ATOM 0 HD2 HIS A 49 7.700 0.256 4.341 1.00 0.00 H new ATOM 0 HE1 HIS A 49 4.574 -2.146 2.782 1.00 0.00 H new ATOM 0 HE2 HIS A 49 7.054 -1.596 2.623 1.00 0.00 H new ATOM 769 N ASN A 50 5.964 1.656 9.539 1.00 0.00 N ATOM 770 CA ASN A 50 5.653 2.598 10.615 1.00 0.00 C ATOM 771 C ASN A 50 6.499 3.871 10.497 1.00 0.00 C ATOM 772 O ASN A 50 7.225 4.238 11.424 1.00 0.00 O ATOM 773 CB ASN A 50 5.864 1.934 11.987 1.00 0.00 C ATOM 774 CG ASN A 50 4.863 2.401 13.034 1.00 0.00 C ATOM 775 OD1 ASN A 50 4.162 1.588 13.633 1.00 0.00 O ATOM 776 ND2 ASN A 50 4.786 3.711 13.269 1.00 0.00 N ATOM 0 H ASN A 50 6.517 0.850 9.831 1.00 0.00 H new ATOM 0 HA ASN A 50 4.605 2.883 10.523 1.00 0.00 H new ATOM 0 HB2 ASN A 50 5.788 0.852 11.877 1.00 0.00 H new ATOM 0 HB3 ASN A 50 6.874 2.148 12.337 1.00 0.00 H new ATOM 0 HD21 ASN A 50 4.130 4.067 13.964 1.00 0.00 H new ATOM 0 HD22 ASN A 50 5.383 4.358 12.753 1.00 0.00 H new ATOM 783 N LEU A 51 6.398 4.539 9.344 1.00 0.00 N ATOM 784 CA LEU A 51 7.152 5.768 9.095 1.00 0.00 C ATOM 785 C LEU A 51 6.263 6.839 8.457 1.00 0.00 C ATOM 786 O LEU A 51 6.300 7.055 7.243 1.00 0.00 O ATOM 787 CB LEU A 51 8.361 5.475 8.199 1.00 0.00 C ATOM 788 CG LEU A 51 9.326 4.415 8.739 1.00 0.00 C ATOM 789 CD1 LEU A 51 9.285 3.161 7.879 1.00 0.00 C ATOM 790 CD2 LEU A 51 10.742 4.969 8.810 1.00 0.00 C ATOM 0 H LEU A 51 5.801 4.248 8.570 1.00 0.00 H new ATOM 0 HA LEU A 51 7.506 6.150 10.052 1.00 0.00 H new ATOM 0 HB2 LEU A 51 8.000 5.152 7.222 1.00 0.00 H new ATOM 0 HB3 LEU A 51 8.913 6.402 8.045 1.00 0.00 H new ATOM 0 HG LEU A 51 9.010 4.147 9.747 1.00 0.00 H new ATOM 0 HD11 LEU A 51 9.978 2.422 8.281 1.00 0.00 H new ATOM 0 HD12 LEU A 51 8.275 2.751 7.881 1.00 0.00 H new ATOM 0 HD13 LEU A 51 9.573 3.411 6.858 1.00 0.00 H new ATOM 0 HD21 LEU A 51 11.414 4.202 9.196 1.00 0.00 H new ATOM 0 HD22 LEU A 51 11.066 5.267 7.813 1.00 0.00 H new ATOM 0 HD23 LEU A 51 10.761 5.835 9.472 1.00 0.00 H new ATOM 802 N GLU A 52 5.470 7.512 9.294 1.00 0.00 N ATOM 803 CA GLU A 52 4.566 8.571 8.840 1.00 0.00 C ATOM 804 C GLU A 52 3.600 8.076 7.753 1.00 0.00 C ATOM 805 O GLU A 52 3.165 8.848 6.895 1.00 0.00 O ATOM 806 CB GLU A 52 5.381 9.759 8.327 1.00 0.00 C ATOM 807 CG GLU A 52 6.091 10.530 9.429 1.00 0.00 C ATOM 808 CD GLU A 52 7.442 9.937 9.784 1.00 0.00 C ATOM 809 OE1 GLU A 52 8.444 10.309 9.137 1.00 0.00 O ATOM 810 OE2 GLU A 52 7.499 9.101 10.710 1.00 0.00 O ATOM 0 H GLU A 52 5.436 7.340 10.299 1.00 0.00 H new ATOM 0 HA GLU A 52 3.961 8.883 9.691 1.00 0.00 H new ATOM 0 HB2 GLU A 52 6.121 9.400 7.611 1.00 0.00 H new ATOM 0 HB3 GLU A 52 4.720 10.437 7.788 1.00 0.00 H new ATOM 0 HG2 GLU A 52 6.225 11.565 9.114 1.00 0.00 H new ATOM 0 HG3 GLU A 52 5.461 10.546 10.319 1.00 0.00 H new ATOM 817 N GLU A 53 3.263 6.787 7.805 1.00 0.00 N ATOM 818 CA GLU A 53 2.346 6.184 6.840 1.00 0.00 C ATOM 819 C GLU A 53 1.137 5.570 7.558 1.00 0.00 C ATOM 820 O GLU A 53 0.756 4.427 7.294 1.00 0.00 O ATOM 821 CB GLU A 53 3.078 5.115 6.015 1.00 0.00 C ATOM 822 CG GLU A 53 4.210 5.671 5.160 1.00 0.00 C ATOM 823 CD GLU A 53 5.374 4.704 5.011 1.00 0.00 C ATOM 824 OE1 GLU A 53 6.070 4.450 6.014 1.00 0.00 O ATOM 825 OE2 GLU A 53 5.593 4.208 3.887 1.00 0.00 O ATOM 0 H GLU A 53 3.614 6.138 8.509 1.00 0.00 H new ATOM 0 HA GLU A 53 1.986 6.962 6.167 1.00 0.00 H new ATOM 0 HB2 GLU A 53 3.481 4.360 6.690 1.00 0.00 H new ATOM 0 HB3 GLU A 53 2.359 4.612 5.368 1.00 0.00 H new ATOM 0 HG2 GLU A 53 3.823 5.919 4.172 1.00 0.00 H new ATOM 0 HG3 GLU A 53 4.571 6.599 5.604 1.00 0.00 H new ATOM 832 N GLU A 54 0.545 6.341 8.477 1.00 0.00 N ATOM 833 CA GLU A 54 -0.605 5.880 9.246 1.00 0.00 C ATOM 834 C GLU A 54 -1.872 6.670 8.892 1.00 0.00 C ATOM 835 O GLU A 54 -2.303 7.554 9.637 1.00 0.00 O ATOM 836 CB GLU A 54 -0.298 5.988 10.745 1.00 0.00 C ATOM 837 CG GLU A 54 -1.501 5.744 11.639 1.00 0.00 C ATOM 838 CD GLU A 54 -1.120 5.442 13.076 1.00 0.00 C ATOM 839 OE1 GLU A 54 -0.482 6.303 13.718 1.00 0.00 O ATOM 840 OE2 GLU A 54 -1.466 4.344 13.563 1.00 0.00 O ATOM 0 H GLU A 54 0.848 7.288 8.703 1.00 0.00 H new ATOM 0 HA GLU A 54 -0.794 4.837 8.992 1.00 0.00 H new ATOM 0 HB2 GLU A 54 0.482 5.270 10.999 1.00 0.00 H new ATOM 0 HB3 GLU A 54 0.102 6.980 10.953 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -2.147 6.622 11.617 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -2.080 4.912 11.240 1.00 0.00 H new ATOM 847 N GLU A 55 -2.471 6.330 7.753 1.00 0.00 N ATOM 848 CA GLU A 55 -3.698 6.982 7.293 1.00 0.00 C ATOM 849 C GLU A 55 -4.622 5.956 6.627 1.00 0.00 C ATOM 850 O GLU A 55 -4.474 5.654 5.441 1.00 0.00 O ATOM 851 CB GLU A 55 -3.378 8.119 6.316 1.00 0.00 C ATOM 852 CG GLU A 55 -2.444 9.179 6.883 1.00 0.00 C ATOM 853 CD GLU A 55 -1.155 9.308 6.095 1.00 0.00 C ATOM 854 OE1 GLU A 55 -0.283 8.422 6.228 1.00 0.00 O ATOM 855 OE2 GLU A 55 -1.018 10.293 5.340 1.00 0.00 O ATOM 0 H GLU A 55 -2.125 5.602 7.127 1.00 0.00 H new ATOM 0 HA GLU A 55 -4.206 7.408 8.158 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -2.928 7.696 5.418 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -4.310 8.596 6.012 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -2.957 10.141 6.892 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -2.209 8.933 7.918 1.00 0.00 H new ATOM 862 N PRO A 56 -5.574 5.386 7.394 1.00 0.00 N ATOM 863 CA PRO A 56 -6.507 4.366 6.883 1.00 0.00 C ATOM 864 C PRO A 56 -7.472 4.884 5.812 1.00 0.00 C ATOM 865 O PRO A 56 -7.831 4.150 4.890 1.00 0.00 O ATOM 866 CB PRO A 56 -7.281 3.927 8.131 1.00 0.00 C ATOM 867 CG PRO A 56 -7.139 5.050 9.098 1.00 0.00 C ATOM 868 CD PRO A 56 -5.798 5.671 8.823 1.00 0.00 C ATOM 0 HA PRO A 56 -5.965 3.563 6.384 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -8.329 3.739 7.898 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -6.875 3.002 8.540 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -7.939 5.779 8.969 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -7.198 4.690 10.125 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -5.803 6.743 9.023 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -5.018 5.234 9.447 1.00 0.00 H new ATOM 876 N GLU A 57 -7.898 6.136 5.940 1.00 0.00 N ATOM 877 CA GLU A 57 -8.831 6.732 4.984 1.00 0.00 C ATOM 878 C GLU A 57 -8.146 7.776 4.093 1.00 0.00 C ATOM 879 O GLU A 57 -8.733 8.814 3.771 1.00 0.00 O ATOM 880 CB GLU A 57 -10.007 7.364 5.735 1.00 0.00 C ATOM 881 CG GLU A 57 -9.602 8.515 6.642 1.00 0.00 C ATOM 882 CD GLU A 57 -9.301 8.072 8.062 1.00 0.00 C ATOM 883 OE1 GLU A 57 -10.255 7.735 8.796 1.00 0.00 O ATOM 884 OE2 GLU A 57 -8.110 8.061 8.438 1.00 0.00 O ATOM 0 H GLU A 57 -7.614 6.760 6.695 1.00 0.00 H new ATOM 0 HA GLU A 57 -9.197 5.939 4.333 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -10.739 7.723 5.011 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -10.500 6.597 6.333 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -8.722 9.006 6.226 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -10.402 9.255 6.660 1.00 0.00 H new ATOM 891 N ASP A 58 -6.901 7.504 3.698 1.00 0.00 N ATOM 892 CA ASP A 58 -6.153 8.433 2.855 1.00 0.00 C ATOM 893 C ASP A 58 -5.276 7.724 1.819 1.00 0.00 C ATOM 894 O ASP A 58 -4.350 8.332 1.283 1.00 0.00 O ATOM 895 CB ASP A 58 -5.273 9.312 3.741 1.00 0.00 C ATOM 896 CG ASP A 58 -5.299 10.773 3.331 1.00 0.00 C ATOM 897 OD1 ASP A 58 -6.404 11.308 3.100 1.00 0.00 O ATOM 898 OD2 ASP A 58 -4.212 11.379 3.237 1.00 0.00 O ATOM 0 H ASP A 58 -6.394 6.655 3.947 1.00 0.00 H new ATOM 0 HA ASP A 58 -6.880 9.031 2.306 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -5.604 9.224 4.776 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -4.247 8.947 3.702 1.00 0.00 H new ATOM 903 N TYR A 59 -5.533 6.442 1.545 1.00 0.00 N ATOM 904 CA TYR A 59 -4.706 5.708 0.591 1.00 0.00 C ATOM 905 C TYR A 59 -5.506 4.952 -0.464 1.00 0.00 C ATOM 906 O TYR A 59 -6.683 4.639 -0.284 1.00 0.00 O ATOM 907 CB TYR A 59 -3.809 4.732 1.338 1.00 0.00 C ATOM 908 CG TYR A 59 -2.603 5.388 1.953 1.00 0.00 C ATOM 909 CD1 TYR A 59 -2.750 6.387 2.903 1.00 0.00 C ATOM 910 CD2 TYR A 59 -1.324 5.013 1.585 1.00 0.00 C ATOM 911 CE1 TYR A 59 -1.658 6.996 3.470 1.00 0.00 C ATOM 912 CE2 TYR A 59 -0.217 5.617 2.150 1.00 0.00 C ATOM 913 CZ TYR A 59 -0.391 6.609 3.092 1.00 0.00 C ATOM 914 OH TYR A 59 0.706 7.215 3.659 1.00 0.00 O ATOM 0 H TYR A 59 -6.292 5.902 1.962 1.00 0.00 H new ATOM 0 HA TYR A 59 -4.116 6.455 0.059 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -4.388 4.243 2.122 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -3.480 3.952 0.651 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -3.742 6.692 3.203 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -1.188 4.237 0.846 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -1.791 7.773 4.208 1.00 0.00 H new ATOM 0 HE2 TYR A 59 0.777 5.314 1.856 1.00 0.00 H new ATOM 0 HH TYR A 59 0.513 7.431 4.595 1.00 0.00 H new ATOM 924 N GLU A 60 -4.813 4.637 -1.554 1.00 0.00 N ATOM 925 CA GLU A 60 -5.375 3.886 -2.670 1.00 0.00 C ATOM 926 C GLU A 60 -4.661 2.543 -2.777 1.00 0.00 C ATOM 927 O GLU A 60 -3.505 2.418 -2.362 1.00 0.00 O ATOM 928 CB GLU A 60 -5.218 4.666 -3.979 1.00 0.00 C ATOM 929 CG GLU A 60 -6.451 5.462 -4.367 1.00 0.00 C ATOM 930 CD GLU A 60 -6.279 6.199 -5.680 1.00 0.00 C ATOM 931 OE1 GLU A 60 -5.419 7.102 -5.749 1.00 0.00 O ATOM 932 OE2 GLU A 60 -7.001 5.870 -6.644 1.00 0.00 O ATOM 0 H GLU A 60 -3.836 4.899 -1.688 1.00 0.00 H new ATOM 0 HA GLU A 60 -6.439 3.726 -2.493 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -4.371 5.346 -3.887 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -4.980 3.968 -4.781 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -7.305 4.789 -4.442 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -6.679 6.180 -3.579 1.00 0.00 H new ATOM 939 N LEU A 61 -5.340 1.537 -3.315 1.00 0.00 N ATOM 940 CA LEU A 61 -4.737 0.217 -3.438 1.00 0.00 C ATOM 941 C LEU A 61 -4.559 -0.211 -4.893 1.00 0.00 C ATOM 942 O LEU A 61 -5.497 -0.166 -5.690 1.00 0.00 O ATOM 943 CB LEU A 61 -5.575 -0.816 -2.686 1.00 0.00 C ATOM 944 CG LEU A 61 -4.931 -1.350 -1.407 1.00 0.00 C ATOM 945 CD1 LEU A 61 -5.448 -0.598 -0.190 1.00 0.00 C ATOM 946 CD2 LEU A 61 -5.182 -2.843 -1.270 1.00 0.00 C ATOM 0 H LEU A 61 -6.294 1.608 -3.668 1.00 0.00 H new ATOM 0 HA LEU A 61 -3.743 0.276 -2.996 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -6.537 -0.370 -2.434 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -5.778 -1.654 -3.352 1.00 0.00 H new ATOM 0 HG LEU A 61 -3.855 -1.189 -1.469 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -4.977 -0.994 0.710 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -5.210 0.461 -0.288 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -6.529 -0.722 -0.118 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -4.717 -3.208 -0.354 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -6.255 -3.029 -1.231 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -4.754 -3.364 -2.126 1.00 0.00 H new ATOM 958 N LEU A 62 -3.344 -0.650 -5.213 1.00 0.00 N ATOM 959 CA LEU A 62 -3.006 -1.127 -6.551 1.00 0.00 C ATOM 960 C LEU A 62 -2.476 -2.556 -6.457 1.00 0.00 C ATOM 961 O LEU A 62 -2.031 -2.972 -5.390 1.00 0.00 O ATOM 962 CB LEU A 62 -1.960 -0.217 -7.202 1.00 0.00 C ATOM 963 CG LEU A 62 -2.333 1.267 -7.269 1.00 0.00 C ATOM 964 CD1 LEU A 62 -1.922 1.985 -5.992 1.00 0.00 C ATOM 965 CD2 LEU A 62 -1.682 1.922 -8.478 1.00 0.00 C ATOM 0 H LEU A 62 -2.567 -0.685 -4.553 1.00 0.00 H new ATOM 0 HA LEU A 62 -3.902 -1.110 -7.171 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -1.024 -0.315 -6.651 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -1.772 -0.573 -8.215 1.00 0.00 H new ATOM 0 HG LEU A 62 -3.416 1.343 -7.371 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -2.197 3.038 -6.062 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -2.431 1.533 -5.141 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -0.844 1.900 -5.857 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -1.956 2.976 -8.512 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -0.598 1.831 -8.402 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -2.024 1.428 -9.388 1.00 0.00 H new ATOM 977 N GLN A 63 -2.526 -3.314 -7.551 1.00 0.00 N ATOM 978 CA GLN A 63 -2.040 -4.695 -7.517 1.00 0.00 C ATOM 979 C GLN A 63 -1.417 -5.139 -8.833 1.00 0.00 C ATOM 980 O GLN A 63 -1.941 -4.869 -9.913 1.00 0.00 O ATOM 981 CB GLN A 63 -3.167 -5.659 -7.136 1.00 0.00 C ATOM 982 CG GLN A 63 -2.805 -6.578 -5.977 1.00 0.00 C ATOM 983 CD GLN A 63 -2.242 -7.912 -6.432 1.00 0.00 C ATOM 984 OE1 GLN A 63 -1.195 -7.971 -7.069 1.00 0.00 O ATOM 985 NE2 GLN A 63 -2.930 -8.996 -6.099 1.00 0.00 N ATOM 0 H GLN A 63 -2.889 -3.006 -8.453 1.00 0.00 H new ATOM 0 HA GLN A 63 -1.258 -4.721 -6.758 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -4.054 -5.084 -6.872 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -3.427 -6.265 -8.004 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -2.074 -6.080 -5.340 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -3.692 -6.753 -5.368 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -3.797 -8.907 -5.569 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -2.592 -9.919 -6.373 1.00 0.00 H new ATOM 994 N ILE A 64 -0.305 -5.857 -8.710 1.00 0.00 N ATOM 995 CA ILE A 64 0.414 -6.399 -9.853 1.00 0.00 C ATOM 996 C ILE A 64 0.132 -7.899 -9.960 1.00 0.00 C ATOM 997 O ILE A 64 0.515 -8.674 -9.076 1.00 0.00 O ATOM 998 CB ILE A 64 1.934 -6.172 -9.713 1.00 0.00 C ATOM 999 CG1 ILE A 64 2.267 -4.681 -9.826 1.00 0.00 C ATOM 1000 CG2 ILE A 64 2.696 -6.971 -10.763 1.00 0.00 C ATOM 1001 CD1 ILE A 64 3.392 -4.242 -8.913 1.00 0.00 C ATOM 0 H ILE A 64 0.122 -6.079 -7.811 1.00 0.00 H new ATOM 0 HA ILE A 64 0.072 -5.885 -10.752 1.00 0.00 H new ATOM 0 HB ILE A 64 2.243 -6.520 -8.727 1.00 0.00 H new ATOM 0 HG12 ILE A 64 2.537 -4.455 -10.857 1.00 0.00 H new ATOM 0 HG13 ILE A 64 1.375 -4.099 -9.595 1.00 0.00 H new ATOM 0 HG21 ILE A 64 3.766 -6.797 -10.647 1.00 0.00 H new ATOM 0 HG22 ILE A 64 2.485 -8.033 -10.636 1.00 0.00 H new ATOM 0 HG23 ILE A 64 2.383 -6.656 -11.758 1.00 0.00 H new ATOM 0 HD11 ILE A 64 3.573 -3.175 -9.046 1.00 0.00 H new ATOM 0 HD12 ILE A 64 3.116 -4.437 -7.877 1.00 0.00 H new ATOM 0 HD13 ILE A 64 4.297 -4.797 -9.158 1.00 0.00 H new ATOM 1013 N LEU A 65 -0.554 -8.303 -11.027 1.00 0.00 N ATOM 1014 CA LEU A 65 -0.906 -9.705 -11.230 1.00 0.00 C ATOM 1015 C LEU A 65 -0.489 -10.187 -12.625 1.00 0.00 C ATOM 1016 O LEU A 65 0.269 -9.516 -13.325 1.00 0.00 O ATOM 1017 CB LEU A 65 -2.417 -9.885 -11.022 1.00 0.00 C ATOM 1018 CG LEU A 65 -2.923 -9.523 -9.621 1.00 0.00 C ATOM 1019 CD1 LEU A 65 -4.145 -8.622 -9.697 1.00 0.00 C ATOM 1020 CD2 LEU A 65 -3.245 -10.779 -8.833 1.00 0.00 C ATOM 0 H LEU A 65 -0.877 -7.678 -11.765 1.00 0.00 H new ATOM 0 HA LEU A 65 -0.367 -10.311 -10.502 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -2.945 -9.272 -11.753 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -2.676 -10.923 -11.229 1.00 0.00 H new ATOM 0 HG LEU A 65 -2.131 -8.979 -9.107 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -4.483 -8.381 -8.689 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -3.887 -7.703 -10.223 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -4.943 -9.135 -10.234 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -3.603 -10.504 -7.841 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -4.017 -11.347 -9.353 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -2.347 -11.390 -8.739 1.00 0.00 H new ATOM 1032 N SER A 66 -0.998 -11.353 -13.020 1.00 0.00 N ATOM 1033 CA SER A 66 -0.697 -11.930 -14.328 1.00 0.00 C ATOM 1034 C SER A 66 -1.803 -11.576 -15.314 1.00 0.00 C ATOM 1035 O SER A 66 -1.594 -10.789 -16.238 1.00 0.00 O ATOM 1036 CB SER A 66 -0.534 -13.452 -14.225 1.00 0.00 C ATOM 1037 OG SER A 66 -1.599 -14.032 -13.487 1.00 0.00 O ATOM 0 H SER A 66 -1.625 -11.919 -12.448 1.00 0.00 H new ATOM 0 HA SER A 66 0.244 -11.514 -14.687 1.00 0.00 H new ATOM 0 HB2 SER A 66 -0.502 -13.886 -15.224 1.00 0.00 H new ATOM 0 HB3 SER A 66 0.416 -13.687 -13.745 1.00 0.00 H new ATOM 0 HG SER A 66 -1.472 -15.003 -13.438 1.00 0.00 H new ATOM 1043 N ASP A 67 -2.991 -12.136 -15.085 1.00 0.00 N ATOM 1044 CA ASP A 67 -4.148 -11.852 -15.929 1.00 0.00 C ATOM 1045 C ASP A 67 -4.533 -10.376 -15.809 1.00 0.00 C ATOM 1046 O ASP A 67 -5.099 -9.792 -16.733 1.00 0.00 O ATOM 1047 CB ASP A 67 -5.329 -12.744 -15.536 1.00 0.00 C ATOM 1048 CG ASP A 67 -4.995 -14.221 -15.627 1.00 0.00 C ATOM 1049 OD1 ASP A 67 -5.159 -14.799 -16.722 1.00 0.00 O ATOM 1050 OD2 ASP A 67 -4.564 -14.797 -14.606 1.00 0.00 O ATOM 0 H ASP A 67 -3.176 -12.788 -14.323 1.00 0.00 H new ATOM 0 HA ASP A 67 -3.886 -12.065 -16.966 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -5.637 -12.506 -14.518 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -6.177 -12.526 -16.185 1.00 0.00 H new ATOM 1055 N ASP A 68 -4.189 -9.778 -14.663 1.00 0.00 N ATOM 1056 CA ASP A 68 -4.458 -8.372 -14.403 1.00 0.00 C ATOM 1057 C ASP A 68 -3.146 -7.655 -14.086 1.00 0.00 C ATOM 1058 O ASP A 68 -2.998 -7.048 -13.023 1.00 0.00 O ATOM 1059 CB ASP A 68 -5.452 -8.224 -13.246 1.00 0.00 C ATOM 1060 CG ASP A 68 -6.717 -9.032 -13.462 1.00 0.00 C ATOM 1061 OD1 ASP A 68 -7.610 -8.554 -14.190 1.00 0.00 O ATOM 1062 OD2 ASP A 68 -6.810 -10.145 -12.903 1.00 0.00 O ATOM 0 H ASP A 68 -3.718 -10.259 -13.896 1.00 0.00 H new ATOM 0 HA ASP A 68 -4.904 -7.919 -15.289 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -4.975 -8.542 -12.319 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -5.712 -7.172 -13.127 1.00 0.00 H new ATOM 1067 N ARG A 69 -2.196 -7.772 -15.027 1.00 0.00 N ATOM 1068 CA ARG A 69 -0.848 -7.180 -14.924 1.00 0.00 C ATOM 1069 C ARG A 69 -0.731 -6.144 -13.806 1.00 0.00 C ATOM 1070 O ARG A 69 0.022 -6.343 -12.854 1.00 0.00 O ATOM 1071 CB ARG A 69 -0.420 -6.560 -16.265 1.00 0.00 C ATOM 1072 CG ARG A 69 -1.569 -6.057 -17.137 1.00 0.00 C ATOM 1073 CD ARG A 69 -1.791 -6.937 -18.363 1.00 0.00 C ATOM 1074 NE ARG A 69 -0.547 -7.210 -19.090 1.00 0.00 N ATOM 1075 CZ ARG A 69 0.140 -8.354 -19.010 1.00 0.00 C ATOM 1076 NH1 ARG A 69 -0.266 -9.339 -18.217 1.00 0.00 N ATOM 1077 NH2 ARG A 69 1.245 -8.507 -19.725 1.00 0.00 N ATOM 0 H ARG A 69 -2.343 -8.288 -15.895 1.00 0.00 H new ATOM 0 HA ARG A 69 -0.175 -7.999 -14.671 1.00 0.00 H new ATOM 0 HB2 ARG A 69 0.256 -5.729 -16.065 1.00 0.00 H new ATOM 0 HB3 ARG A 69 0.146 -7.302 -16.828 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -2.484 -6.024 -16.545 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -1.359 -5.037 -17.458 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -2.241 -7.880 -18.053 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -2.500 -6.450 -19.032 1.00 0.00 H new ATOM 0 HE ARG A 69 -0.181 -6.477 -19.698 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -1.112 -9.228 -17.659 1.00 0.00 H new ATOM 0 HH12 ARG A 69 0.269 -10.206 -18.166 1.00 0.00 H new ATOM 0 HH21 ARG A 69 1.568 -7.754 -20.333 1.00 0.00 H new ATOM 0 HH22 ARG A 69 1.773 -9.378 -19.668 1.00 0.00 H new ATOM 1091 N LYS A 70 -1.480 -5.051 -13.917 1.00 0.00 N ATOM 1092 CA LYS A 70 -1.458 -4.003 -12.900 1.00 0.00 C ATOM 1093 C LYS A 70 -2.821 -3.322 -12.793 1.00 0.00 C ATOM 1094 O LYS A 70 -3.312 -2.734 -13.758 1.00 0.00 O ATOM 1095 CB LYS A 70 -0.377 -2.967 -13.210 1.00 0.00 C ATOM 1096 CG LYS A 70 0.949 -3.238 -12.515 1.00 0.00 C ATOM 1097 CD LYS A 70 1.895 -4.028 -13.405 1.00 0.00 C ATOM 1098 CE LYS A 70 2.768 -3.110 -14.246 1.00 0.00 C ATOM 1099 NZ LYS A 70 4.015 -2.715 -13.530 1.00 0.00 N ATOM 0 H LYS A 70 -2.109 -4.867 -14.699 1.00 0.00 H new ATOM 0 HA LYS A 70 -1.227 -4.471 -11.943 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -0.213 -2.938 -14.287 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -0.736 -1.981 -12.915 1.00 0.00 H new ATOM 0 HG2 LYS A 70 1.415 -2.293 -12.237 1.00 0.00 H new ATOM 0 HG3 LYS A 70 0.771 -3.790 -11.592 1.00 0.00 H new ATOM 0 HD2 LYS A 70 2.526 -4.668 -12.789 1.00 0.00 H new ATOM 0 HD3 LYS A 70 1.319 -4.683 -14.059 1.00 0.00 H new ATOM 0 HE2 LYS A 70 3.028 -3.611 -15.178 1.00 0.00 H new ATOM 0 HE3 LYS A 70 2.204 -2.216 -14.512 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 4.581 -2.090 -14.138 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 3.768 -2.214 -12.653 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 4.567 -3.566 -13.299 1.00 0.00 H new ATOM 1113 N LEU A 71 -3.424 -3.409 -11.610 1.00 0.00 N ATOM 1114 CA LEU A 71 -4.733 -2.808 -11.356 1.00 0.00 C ATOM 1115 C LEU A 71 -4.650 -1.787 -10.221 1.00 0.00 C ATOM 1116 O LEU A 71 -3.775 -1.877 -9.360 1.00 0.00 O ATOM 1117 CB LEU A 71 -5.756 -3.898 -11.010 1.00 0.00 C ATOM 1118 CG LEU A 71 -5.571 -4.562 -9.641 1.00 0.00 C ATOM 1119 CD1 LEU A 71 -6.359 -3.825 -8.568 1.00 0.00 C ATOM 1120 CD2 LEU A 71 -5.991 -6.023 -9.698 1.00 0.00 C ATOM 0 H LEU A 71 -3.024 -3.893 -10.806 1.00 0.00 H new ATOM 0 HA LEU A 71 -5.055 -2.292 -12.260 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -6.754 -3.462 -11.052 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -5.713 -4.670 -11.778 1.00 0.00 H new ATOM 0 HG LEU A 71 -4.514 -4.512 -9.380 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -6.211 -4.316 -7.606 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -6.012 -2.793 -8.506 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -7.419 -3.837 -8.822 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -5.853 -6.480 -8.718 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -7.040 -6.089 -9.985 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -5.380 -6.549 -10.432 1.00 0.00 H new ATOM 1132 N LYS A 72 -5.568 -0.822 -10.222 1.00 0.00 N ATOM 1133 CA LYS A 72 -5.598 0.205 -9.188 1.00 0.00 C ATOM 1134 C LYS A 72 -7.036 0.539 -8.794 1.00 0.00 C ATOM 1135 O LYS A 72 -7.866 0.867 -9.645 1.00 0.00 O ATOM 1136 CB LYS A 72 -4.869 1.465 -9.664 1.00 0.00 C ATOM 1137 CG LYS A 72 -5.196 2.710 -8.852 1.00 0.00 C ATOM 1138 CD LYS A 72 -4.486 3.941 -9.397 1.00 0.00 C ATOM 1139 CE LYS A 72 -4.198 4.957 -8.301 1.00 0.00 C ATOM 1140 NZ LYS A 72 -4.916 6.243 -8.530 1.00 0.00 N ATOM 0 H LYS A 72 -6.299 -0.732 -10.927 1.00 0.00 H new ATOM 0 HA LYS A 72 -5.085 -0.184 -8.308 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -3.794 1.288 -9.623 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -5.123 1.647 -10.708 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -6.273 2.878 -8.861 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -4.906 2.553 -7.813 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -3.551 3.642 -9.870 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -5.101 4.403 -10.169 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -4.493 4.544 -7.337 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -3.125 5.144 -8.253 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -4.434 7.006 -8.013 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -4.920 6.462 -9.547 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -5.895 6.159 -8.190 1.00 0.00 H new ATOM 1154 N ILE A 73 -7.312 0.460 -7.496 1.00 0.00 N ATOM 1155 CA ILE A 73 -8.638 0.758 -6.969 1.00 0.00 C ATOM 1156 C ILE A 73 -8.602 2.024 -6.113 1.00 0.00 C ATOM 1157 O ILE A 73 -7.654 2.238 -5.354 1.00 0.00 O ATOM 1158 CB ILE A 73 -9.182 -0.421 -6.127 1.00 0.00 C ATOM 1159 CG1 ILE A 73 -9.377 -1.661 -7.010 1.00 0.00 C ATOM 1160 CG2 ILE A 73 -10.486 -0.050 -5.424 1.00 0.00 C ATOM 1161 CD1 ILE A 73 -10.517 -1.538 -8.001 1.00 0.00 C ATOM 0 H ILE A 73 -6.630 0.190 -6.787 1.00 0.00 H new ATOM 0 HA ILE A 73 -9.303 0.916 -7.818 1.00 0.00 H new ATOM 0 HB ILE A 73 -8.446 -0.651 -5.356 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -8.454 -1.855 -7.556 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -9.556 -2.525 -6.371 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -10.840 -0.901 -4.842 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -10.313 0.797 -4.760 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -11.237 0.218 -6.167 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -10.590 -2.454 -8.587 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -11.451 -1.376 -7.463 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -10.331 -0.695 -8.667 1.00 0.00 H new ATOM 1173 N PRO A 74 -9.637 2.881 -6.231 1.00 0.00 N ATOM 1174 CA PRO A 74 -9.726 4.135 -5.467 1.00 0.00 C ATOM 1175 C PRO A 74 -9.633 3.915 -3.955 1.00 0.00 C ATOM 1176 O PRO A 74 -9.511 2.781 -3.485 1.00 0.00 O ATOM 1177 CB PRO A 74 -11.107 4.700 -5.845 1.00 0.00 C ATOM 1178 CG PRO A 74 -11.842 3.567 -6.478 1.00 0.00 C ATOM 1179 CD PRO A 74 -10.797 2.701 -7.117 1.00 0.00 C ATOM 0 HA PRO A 74 -8.900 4.805 -5.704 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -11.635 5.067 -4.965 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -11.012 5.540 -6.533 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -12.411 3.008 -5.735 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -12.554 3.930 -7.219 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -11.111 1.658 -7.166 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -10.579 3.016 -8.137 1.00 0.00 H new ATOM 1187 N GLU A 75 -9.684 5.017 -3.203 1.00 0.00 N ATOM 1188 CA GLU A 75 -9.602 4.975 -1.738 1.00 0.00 C ATOM 1189 C GLU A 75 -10.466 3.862 -1.135 1.00 0.00 C ATOM 1190 O GLU A 75 -10.129 3.317 -0.085 1.00 0.00 O ATOM 1191 CB GLU A 75 -10.012 6.329 -1.149 1.00 0.00 C ATOM 1192 CG GLU A 75 -8.984 6.914 -0.193 1.00 0.00 C ATOM 1193 CD GLU A 75 -9.264 6.559 1.253 1.00 0.00 C ATOM 1194 OE1 GLU A 75 -10.214 7.130 1.829 1.00 0.00 O ATOM 1195 OE2 GLU A 75 -8.535 5.710 1.808 1.00 0.00 O ATOM 0 H GLU A 75 -9.782 5.957 -3.587 1.00 0.00 H new ATOM 0 HA GLU A 75 -8.565 4.758 -1.481 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -10.181 7.034 -1.963 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -10.960 6.215 -0.624 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -7.992 6.553 -0.466 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -8.969 7.999 -0.301 1.00 0.00 H new ATOM 1202 N ASN A 76 -11.570 3.518 -1.802 1.00 0.00 N ATOM 1203 CA ASN A 76 -12.456 2.458 -1.318 1.00 0.00 C ATOM 1204 C ASN A 76 -11.877 1.073 -1.635 1.00 0.00 C ATOM 1205 O ASN A 76 -12.456 0.302 -2.406 1.00 0.00 O ATOM 1206 CB ASN A 76 -13.870 2.599 -1.909 1.00 0.00 C ATOM 1207 CG ASN A 76 -13.873 2.878 -3.405 1.00 0.00 C ATOM 1208 OD1 ASN A 76 -13.833 1.957 -4.218 1.00 0.00 O ATOM 1209 ND2 ASN A 76 -13.924 4.154 -3.779 1.00 0.00 N ATOM 0 H ASN A 76 -11.870 3.955 -2.673 1.00 0.00 H new ATOM 0 HA ASN A 76 -12.531 2.560 -0.235 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -14.430 1.684 -1.716 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -14.392 3.406 -1.395 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -13.931 4.395 -4.770 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -13.956 4.891 -3.075 1.00 0.00 H new ATOM 1216 N ALA A 77 -10.727 0.767 -1.026 1.00 0.00 N ATOM 1217 CA ALA A 77 -10.050 -0.520 -1.226 1.00 0.00 C ATOM 1218 C ALA A 77 -10.920 -1.715 -0.809 1.00 0.00 C ATOM 1219 O ALA A 77 -10.591 -2.861 -1.120 1.00 0.00 O ATOM 1220 CB ALA A 77 -8.727 -0.544 -0.473 1.00 0.00 C ATOM 0 H ALA A 77 -10.242 1.397 -0.387 1.00 0.00 H new ATOM 0 HA ALA A 77 -9.862 -0.618 -2.295 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -8.236 -1.504 -0.630 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -8.085 0.256 -0.840 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -8.912 -0.401 0.592 1.00 0.00 H new ATOM 1226 N ASN A 78 -12.032 -1.442 -0.121 1.00 0.00 N ATOM 1227 CA ASN A 78 -12.956 -2.488 0.319 1.00 0.00 C ATOM 1228 C ASN A 78 -13.279 -3.455 -0.831 1.00 0.00 C ATOM 1229 O ASN A 78 -13.370 -4.667 -0.627 1.00 0.00 O ATOM 1230 CB ASN A 78 -14.242 -1.837 0.854 1.00 0.00 C ATOM 1231 CG ASN A 78 -15.501 -2.632 0.548 1.00 0.00 C ATOM 1232 OD1 ASN A 78 -15.645 -3.778 0.970 1.00 0.00 O ATOM 1233 ND2 ASN A 78 -16.423 -2.025 -0.189 1.00 0.00 N ATOM 0 H ASN A 78 -12.314 -0.498 0.144 1.00 0.00 H new ATOM 0 HA ASN A 78 -12.485 -3.066 1.114 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -14.154 -1.713 1.933 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -14.339 -0.840 0.426 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -17.289 -2.510 -0.424 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -16.266 -1.073 -0.520 1.00 0.00 H new ATOM 1240 N VAL A 79 -13.450 -2.901 -2.032 1.00 0.00 N ATOM 1241 CA VAL A 79 -13.765 -3.698 -3.223 1.00 0.00 C ATOM 1242 C VAL A 79 -12.502 -4.282 -3.871 1.00 0.00 C ATOM 1243 O VAL A 79 -12.551 -5.348 -4.487 1.00 0.00 O ATOM 1244 CB VAL A 79 -14.525 -2.860 -4.275 1.00 0.00 C ATOM 1245 CG1 VAL A 79 -15.337 -3.761 -5.195 1.00 0.00 C ATOM 1246 CG2 VAL A 79 -15.424 -1.829 -3.602 1.00 0.00 C ATOM 0 H VAL A 79 -13.376 -1.899 -2.208 1.00 0.00 H new ATOM 0 HA VAL A 79 -14.399 -4.517 -2.884 1.00 0.00 H new ATOM 0 HB VAL A 79 -13.790 -2.327 -4.878 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -15.865 -3.151 -5.928 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -14.669 -4.452 -5.710 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -16.059 -4.326 -4.606 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -15.948 -1.251 -4.363 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -16.150 -2.338 -2.968 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -14.817 -1.159 -2.993 1.00 0.00 H new ATOM 1256 N PHE A 80 -11.381 -3.570 -3.731 1.00 0.00 N ATOM 1257 CA PHE A 80 -10.095 -3.993 -4.298 1.00 0.00 C ATOM 1258 C PHE A 80 -9.761 -5.451 -3.959 1.00 0.00 C ATOM 1259 O PHE A 80 -9.271 -6.193 -4.813 1.00 0.00 O ATOM 1260 CB PHE A 80 -8.987 -3.062 -3.790 1.00 0.00 C ATOM 1261 CG PHE A 80 -7.592 -3.502 -4.139 1.00 0.00 C ATOM 1262 CD1 PHE A 80 -7.001 -4.567 -3.480 1.00 0.00 C ATOM 1263 CD2 PHE A 80 -6.868 -2.838 -5.111 1.00 0.00 C ATOM 1264 CE1 PHE A 80 -5.717 -4.962 -3.788 1.00 0.00 C ATOM 1265 CE2 PHE A 80 -5.581 -3.226 -5.421 1.00 0.00 C ATOM 1266 CZ PHE A 80 -5.005 -4.288 -4.759 1.00 0.00 C ATOM 0 H PHE A 80 -11.337 -2.686 -3.223 1.00 0.00 H new ATOM 0 HA PHE A 80 -10.169 -3.929 -5.384 1.00 0.00 H new ATOM 0 HB2 PHE A 80 -9.152 -2.065 -4.198 1.00 0.00 H new ATOM 0 HB3 PHE A 80 -9.068 -2.980 -2.706 1.00 0.00 H new ATOM 0 HD1 PHE A 80 -7.553 -5.094 -2.716 1.00 0.00 H new ATOM 0 HD2 PHE A 80 -7.315 -2.006 -5.634 1.00 0.00 H new ATOM 0 HE1 PHE A 80 -5.269 -5.797 -3.270 1.00 0.00 H new ATOM 0 HE2 PHE A 80 -5.026 -2.698 -6.182 1.00 0.00 H new ATOM 0 HZ PHE A 80 -3.997 -4.593 -5.000 1.00 0.00 H new ATOM 1276 N TYR A 81 -10.011 -5.854 -2.710 1.00 0.00 N ATOM 1277 CA TYR A 81 -9.714 -7.219 -2.270 1.00 0.00 C ATOM 1278 C TYR A 81 -10.515 -8.265 -3.049 1.00 0.00 C ATOM 1279 O TYR A 81 -10.063 -9.400 -3.208 1.00 0.00 O ATOM 1280 CB TYR A 81 -9.955 -7.358 -0.767 1.00 0.00 C ATOM 1281 CG TYR A 81 -8.774 -6.890 0.050 1.00 0.00 C ATOM 1282 CD1 TYR A 81 -8.424 -5.548 0.082 1.00 0.00 C ATOM 1283 CD2 TYR A 81 -7.997 -7.789 0.768 1.00 0.00 C ATOM 1284 CE1 TYR A 81 -7.335 -5.113 0.807 1.00 0.00 C ATOM 1285 CE2 TYR A 81 -6.902 -7.360 1.495 1.00 0.00 C ATOM 1286 CZ TYR A 81 -6.576 -6.020 1.512 1.00 0.00 C ATOM 1287 OH TYR A 81 -5.488 -5.587 2.232 1.00 0.00 O ATOM 0 H TYR A 81 -10.416 -5.257 -1.989 1.00 0.00 H new ATOM 0 HA TYR A 81 -8.661 -7.407 -2.477 1.00 0.00 H new ATOM 0 HB2 TYR A 81 -10.837 -6.782 -0.488 1.00 0.00 H new ATOM 0 HB3 TYR A 81 -10.167 -8.401 -0.530 1.00 0.00 H new ATOM 0 HD1 TYR A 81 -9.015 -4.832 -0.470 1.00 0.00 H new ATOM 0 HD2 TYR A 81 -8.252 -8.839 0.759 1.00 0.00 H new ATOM 0 HE1 TYR A 81 -7.078 -4.064 0.822 1.00 0.00 H new ATOM 0 HE2 TYR A 81 -6.305 -8.071 2.047 1.00 0.00 H new ATOM 0 HH TYR A 81 -4.690 -5.609 1.664 1.00 0.00 H new ATOM 1297 N ALA A 82 -11.690 -7.879 -3.547 1.00 0.00 N ATOM 1298 CA ALA A 82 -12.531 -8.788 -4.324 1.00 0.00 C ATOM 1299 C ALA A 82 -12.207 -8.720 -5.826 1.00 0.00 C ATOM 1300 O ALA A 82 -12.915 -9.313 -6.643 1.00 0.00 O ATOM 1301 CB ALA A 82 -14.001 -8.474 -4.082 1.00 0.00 C ATOM 0 H ALA A 82 -12.080 -6.944 -3.426 1.00 0.00 H new ATOM 0 HA ALA A 82 -12.322 -9.804 -3.991 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -14.620 -9.156 -4.665 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -14.229 -8.593 -3.023 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -14.208 -7.448 -4.385 1.00 0.00 H new ATOM 1307 N MET A 83 -11.140 -7.995 -6.184 1.00 0.00 N ATOM 1308 CA MET A 83 -10.736 -7.853 -7.583 1.00 0.00 C ATOM 1309 C MET A 83 -9.297 -8.328 -7.807 1.00 0.00 C ATOM 1310 O MET A 83 -9.015 -9.034 -8.776 1.00 0.00 O ATOM 1311 CB MET A 83 -10.878 -6.394 -8.028 1.00 0.00 C ATOM 1312 CG MET A 83 -12.322 -5.926 -8.137 1.00 0.00 C ATOM 1313 SD MET A 83 -13.220 -6.743 -9.470 1.00 0.00 S ATOM 1314 CE MET A 83 -12.336 -6.131 -10.902 1.00 0.00 C ATOM 0 H MET A 83 -10.543 -7.499 -5.522 1.00 0.00 H new ATOM 0 HA MET A 83 -11.394 -8.482 -8.182 1.00 0.00 H new ATOM 0 HB2 MET A 83 -10.350 -5.754 -7.320 1.00 0.00 H new ATOM 0 HB3 MET A 83 -10.391 -6.269 -8.995 1.00 0.00 H new ATOM 0 HG2 MET A 83 -12.833 -6.113 -7.192 1.00 0.00 H new ATOM 0 HG3 MET A 83 -12.339 -4.848 -8.300 1.00 0.00 H new ATOM 0 HE1 MET A 83 -12.959 -6.243 -11.789 1.00 0.00 H new ATOM 0 HE2 MET A 83 -12.095 -5.078 -10.758 1.00 0.00 H new ATOM 0 HE3 MET A 83 -11.415 -6.699 -11.031 1.00 0.00 H new ATOM 1324 N ASN A 84 -8.391 -7.927 -6.913 1.00 0.00 N ATOM 1325 CA ASN A 84 -6.979 -8.302 -7.021 1.00 0.00 C ATOM 1326 C ASN A 84 -6.735 -9.765 -6.621 1.00 0.00 C ATOM 1327 O ASN A 84 -5.781 -10.384 -7.090 1.00 0.00 O ATOM 1328 CB ASN A 84 -6.118 -7.372 -6.155 1.00 0.00 C ATOM 1329 CG ASN A 84 -5.926 -7.895 -4.741 1.00 0.00 C ATOM 1330 OD1 ASN A 84 -4.814 -8.224 -4.335 1.00 0.00 O ATOM 1331 ND2 ASN A 84 -7.007 -7.976 -3.981 1.00 0.00 N ATOM 0 H ASN A 84 -8.610 -7.343 -6.106 1.00 0.00 H new ATOM 0 HA ASN A 84 -6.694 -8.197 -8.068 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -5.143 -7.244 -6.626 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -6.584 -6.387 -6.113 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -6.933 -8.321 -3.024 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -7.914 -7.694 -4.353 1.00 0.00 H new ATOM 1338 N SER A 85 -7.585 -10.306 -5.745 1.00 0.00 N ATOM 1339 CA SER A 85 -7.436 -11.689 -5.281 1.00 0.00 C ATOM 1340 C SER A 85 -7.797 -12.689 -6.387 1.00 0.00 C ATOM 1341 O SER A 85 -8.882 -13.273 -6.379 1.00 0.00 O ATOM 1342 CB SER A 85 -8.301 -11.938 -4.040 1.00 0.00 C ATOM 1343 OG SER A 85 -7.979 -11.025 -3.002 1.00 0.00 O ATOM 0 H SER A 85 -8.381 -9.810 -5.343 1.00 0.00 H new ATOM 0 HA SER A 85 -6.389 -11.839 -5.016 1.00 0.00 H new ATOM 0 HB2 SER A 85 -9.355 -11.840 -4.301 1.00 0.00 H new ATOM 0 HB3 SER A 85 -8.154 -12.959 -3.689 1.00 0.00 H new ATOM 0 HG SER A 85 -8.754 -10.455 -2.816 1.00 0.00 H new ATOM 1349 N THR A 86 -6.875 -12.882 -7.335 1.00 0.00 N ATOM 1350 CA THR A 86 -7.093 -13.813 -8.446 1.00 0.00 C ATOM 1351 C THR A 86 -5.929 -14.802 -8.584 1.00 0.00 C ATOM 1352 O THR A 86 -6.148 -16.007 -8.721 1.00 0.00 O ATOM 1353 CB THR A 86 -7.315 -13.051 -9.763 1.00 0.00 C ATOM 1354 OG1 THR A 86 -7.381 -13.949 -10.857 1.00 0.00 O ATOM 1355 CG2 THR A 86 -6.239 -12.031 -10.081 1.00 0.00 C ATOM 0 H THR A 86 -5.973 -12.407 -7.355 1.00 0.00 H new ATOM 0 HA THR A 86 -7.993 -14.386 -8.224 1.00 0.00 H new ATOM 0 HB THR A 86 -8.255 -12.519 -9.617 1.00 0.00 H new ATOM 0 HG1 THR A 86 -7.524 -13.445 -11.685 1.00 0.00 H new ATOM 0 HG21 THR A 86 -6.472 -11.539 -11.025 1.00 0.00 H new ATOM 0 HG22 THR A 86 -6.196 -11.287 -9.285 1.00 0.00 H new ATOM 0 HG23 THR A 86 -5.275 -12.533 -10.161 1.00 0.00 H new ATOM 1363 N ALA A 87 -4.696 -14.291 -8.539 1.00 0.00 N ATOM 1364 CA ALA A 87 -3.506 -15.136 -8.654 1.00 0.00 C ATOM 1365 C ALA A 87 -2.362 -14.595 -7.794 1.00 0.00 C ATOM 1366 O ALA A 87 -2.109 -15.098 -6.697 1.00 0.00 O ATOM 1367 CB ALA A 87 -3.083 -15.256 -10.114 1.00 0.00 C ATOM 0 H ALA A 87 -4.496 -13.297 -8.424 1.00 0.00 H new ATOM 0 HA ALA A 87 -3.754 -16.131 -8.284 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -2.197 -15.887 -10.185 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -3.893 -15.701 -10.692 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -2.856 -14.266 -10.510 1.00 0.00 H new ATOM 1373 N ASN A 88 -1.681 -13.564 -8.295 1.00 0.00 N ATOM 1374 CA ASN A 88 -0.568 -12.944 -7.573 1.00 0.00 C ATOM 1375 C ASN A 88 -1.086 -12.082 -6.417 1.00 0.00 C ATOM 1376 O ASN A 88 -2.287 -11.822 -6.317 1.00 0.00 O ATOM 1377 CB ASN A 88 0.273 -12.090 -8.532 1.00 0.00 C ATOM 1378 CG ASN A 88 1.673 -11.816 -8.002 1.00 0.00 C ATOM 1379 OD1 ASN A 88 2.227 -12.611 -7.244 1.00 0.00 O ATOM 1380 ND2 ASN A 88 2.258 -10.686 -8.394 1.00 0.00 N ATOM 0 H ASN A 88 -1.881 -13.139 -9.200 1.00 0.00 H new ATOM 0 HA ASN A 88 0.058 -13.735 -7.160 1.00 0.00 H new ATOM 0 HB2 ASN A 88 0.346 -12.597 -9.494 1.00 0.00 H new ATOM 0 HB3 ASN A 88 -0.236 -11.142 -8.709 1.00 0.00 H new ATOM 0 HD21 ASN A 88 3.196 -10.456 -8.065 1.00 0.00 H new ATOM 0 HD22 ASN A 88 1.768 -10.050 -9.024 1.00 0.00 H new ATOM 1387 N TYR A 89 -0.180 -11.638 -5.547 1.00 0.00 N ATOM 1388 CA TYR A 89 -0.567 -10.804 -4.411 1.00 0.00 C ATOM 1389 C TYR A 89 0.468 -9.702 -4.143 1.00 0.00 C ATOM 1390 O TYR A 89 0.858 -9.461 -2.999 1.00 0.00 O ATOM 1391 CB TYR A 89 -0.786 -11.672 -3.161 1.00 0.00 C ATOM 1392 CG TYR A 89 -2.217 -11.670 -2.651 1.00 0.00 C ATOM 1393 CD1 TYR A 89 -3.066 -10.590 -2.874 1.00 0.00 C ATOM 1394 CD2 TYR A 89 -2.716 -12.756 -1.941 1.00 0.00 C ATOM 1395 CE1 TYR A 89 -4.366 -10.594 -2.404 1.00 0.00 C ATOM 1396 CE2 TYR A 89 -4.015 -12.764 -1.469 1.00 0.00 C ATOM 1397 CZ TYR A 89 -4.835 -11.683 -1.703 1.00 0.00 C ATOM 1398 OH TYR A 89 -6.128 -11.691 -1.230 1.00 0.00 O ATOM 0 H TYR A 89 0.818 -11.840 -5.606 1.00 0.00 H new ATOM 0 HA TYR A 89 -1.507 -10.311 -4.659 1.00 0.00 H new ATOM 0 HB2 TYR A 89 -0.493 -12.697 -3.387 1.00 0.00 H new ATOM 0 HB3 TYR A 89 -0.127 -11.320 -2.367 1.00 0.00 H new ATOM 0 HD1 TYR A 89 -2.703 -9.734 -3.424 1.00 0.00 H new ATOM 0 HD2 TYR A 89 -2.078 -13.607 -1.755 1.00 0.00 H new ATOM 0 HE1 TYR A 89 -5.011 -9.747 -2.586 1.00 0.00 H new ATOM 0 HE2 TYR A 89 -4.386 -13.616 -0.918 1.00 0.00 H new ATOM 0 HH TYR A 89 -6.750 -11.559 -1.976 1.00 0.00 H new ATOM 1408 N ASP A 90 0.888 -9.021 -5.212 1.00 0.00 N ATOM 1409 CA ASP A 90 1.854 -7.927 -5.110 1.00 0.00 C ATOM 1410 C ASP A 90 1.127 -6.600 -5.296 1.00 0.00 C ATOM 1411 O ASP A 90 0.953 -6.125 -6.418 1.00 0.00 O ATOM 1412 CB ASP A 90 2.952 -8.103 -6.165 1.00 0.00 C ATOM 1413 CG ASP A 90 4.298 -7.554 -5.731 1.00 0.00 C ATOM 1414 OD1 ASP A 90 4.667 -7.734 -4.552 1.00 0.00 O ATOM 1415 OD2 ASP A 90 4.990 -6.951 -6.577 1.00 0.00 O ATOM 0 H ASP A 90 0.571 -9.210 -6.163 1.00 0.00 H new ATOM 0 HA ASP A 90 2.324 -7.936 -4.127 1.00 0.00 H new ATOM 0 HB2 ASP A 90 3.058 -9.163 -6.395 1.00 0.00 H new ATOM 0 HB3 ASP A 90 2.645 -7.606 -7.085 1.00 0.00 H new ATOM 1420 N PHE A 91 0.664 -6.029 -4.188 1.00 0.00 N ATOM 1421 CA PHE A 91 -0.094 -4.788 -4.235 1.00 0.00 C ATOM 1422 C PHE A 91 0.701 -3.564 -3.787 1.00 0.00 C ATOM 1423 O PHE A 91 1.642 -3.654 -2.999 1.00 0.00 O ATOM 1424 CB PHE A 91 -1.384 -4.960 -3.429 1.00 0.00 C ATOM 1425 CG PHE A 91 -1.358 -4.412 -2.039 1.00 0.00 C ATOM 1426 CD1 PHE A 91 -0.857 -5.177 -1.006 1.00 0.00 C ATOM 1427 CD2 PHE A 91 -1.864 -3.154 -1.761 1.00 0.00 C ATOM 1428 CE1 PHE A 91 -0.860 -4.706 0.284 1.00 0.00 C ATOM 1429 CE2 PHE A 91 -1.863 -2.669 -0.468 1.00 0.00 C ATOM 1430 CZ PHE A 91 -1.362 -3.448 0.558 1.00 0.00 C ATOM 0 H PHE A 91 0.801 -6.406 -3.250 1.00 0.00 H new ATOM 0 HA PHE A 91 -0.338 -4.588 -5.278 1.00 0.00 H new ATOM 0 HB2 PHE A 91 -2.197 -4.481 -3.974 1.00 0.00 H new ATOM 0 HB3 PHE A 91 -1.619 -6.023 -3.376 1.00 0.00 H new ATOM 0 HD1 PHE A 91 -0.457 -6.158 -1.214 1.00 0.00 H new ATOM 0 HD2 PHE A 91 -2.262 -2.547 -2.561 1.00 0.00 H new ATOM 0 HE1 PHE A 91 -0.470 -5.318 1.084 1.00 0.00 H new ATOM 0 HE2 PHE A 91 -2.253 -1.684 -0.259 1.00 0.00 H new ATOM 0 HZ PHE A 91 -1.363 -3.074 1.571 1.00 0.00 H new ATOM 1440 N VAL A 92 0.296 -2.418 -4.327 1.00 0.00 N ATOM 1441 CA VAL A 92 0.934 -1.141 -4.033 1.00 0.00 C ATOM 1442 C VAL A 92 0.007 -0.240 -3.217 1.00 0.00 C ATOM 1443 O VAL A 92 -1.138 0.007 -3.603 1.00 0.00 O ATOM 1444 CB VAL A 92 1.341 -0.407 -5.332 1.00 0.00 C ATOM 1445 CG1 VAL A 92 2.141 0.850 -5.023 1.00 0.00 C ATOM 1446 CG2 VAL A 92 2.130 -1.332 -6.251 1.00 0.00 C ATOM 0 H VAL A 92 -0.484 -2.350 -4.981 1.00 0.00 H new ATOM 0 HA VAL A 92 1.830 -1.356 -3.450 1.00 0.00 H new ATOM 0 HB VAL A 92 0.428 -0.108 -5.847 1.00 0.00 H new ATOM 0 HG11 VAL A 92 2.414 1.346 -5.955 1.00 0.00 H new ATOM 0 HG12 VAL A 92 1.538 1.525 -4.416 1.00 0.00 H new ATOM 0 HG13 VAL A 92 3.045 0.581 -4.477 1.00 0.00 H new ATOM 0 HG21 VAL A 92 2.406 -0.795 -7.158 1.00 0.00 H new ATOM 0 HG22 VAL A 92 3.032 -1.669 -5.741 1.00 0.00 H new ATOM 0 HG23 VAL A 92 1.517 -2.195 -6.512 1.00 0.00 H new ATOM 1456 N LEU A 93 0.523 0.257 -2.097 1.00 0.00 N ATOM 1457 CA LEU A 93 -0.229 1.144 -1.221 1.00 0.00 C ATOM 1458 C LEU A 93 0.150 2.598 -1.510 1.00 0.00 C ATOM 1459 O LEU A 93 1.107 3.130 -0.945 1.00 0.00 O ATOM 1460 CB LEU A 93 0.045 0.787 0.247 1.00 0.00 C ATOM 1461 CG LEU A 93 -0.407 1.827 1.272 1.00 0.00 C ATOM 1462 CD1 LEU A 93 -1.902 1.712 1.527 1.00 0.00 C ATOM 1463 CD2 LEU A 93 0.370 1.673 2.571 1.00 0.00 C ATOM 0 H LEU A 93 1.469 0.057 -1.774 1.00 0.00 H new ATOM 0 HA LEU A 93 -1.296 1.021 -1.408 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -0.450 -0.158 0.472 1.00 0.00 H new ATOM 0 HB3 LEU A 93 1.116 0.623 0.369 1.00 0.00 H new ATOM 0 HG LEU A 93 -0.203 2.818 0.866 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -2.205 2.460 2.259 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -2.444 1.876 0.595 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -2.130 0.717 1.909 1.00 0.00 H new ATOM 0 HD21 LEU A 93 0.033 2.422 3.287 1.00 0.00 H new ATOM 0 HD22 LEU A 93 0.200 0.677 2.981 1.00 0.00 H new ATOM 0 HD23 LEU A 93 1.434 1.809 2.377 1.00 0.00 H new ATOM 1475 N LYS A 94 -0.598 3.224 -2.416 1.00 0.00 N ATOM 1476 CA LYS A 94 -0.339 4.606 -2.809 1.00 0.00 C ATOM 1477 C LYS A 94 -1.351 5.561 -2.181 1.00 0.00 C ATOM 1478 O LYS A 94 -2.551 5.445 -2.420 1.00 0.00 O ATOM 1479 CB LYS A 94 -0.385 4.732 -4.334 1.00 0.00 C ATOM 1480 CG LYS A 94 0.866 4.216 -5.028 1.00 0.00 C ATOM 1481 CD LYS A 94 0.733 4.285 -6.543 1.00 0.00 C ATOM 1482 CE LYS A 94 0.974 5.694 -7.065 1.00 0.00 C ATOM 1483 NZ LYS A 94 2.409 5.930 -7.388 1.00 0.00 N ATOM 0 H LYS A 94 -1.391 2.794 -2.893 1.00 0.00 H new ATOM 0 HA LYS A 94 0.653 4.878 -2.449 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -1.250 4.185 -4.709 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -0.531 5.779 -4.599 1.00 0.00 H new ATOM 0 HG2 LYS A 94 1.728 4.803 -4.710 1.00 0.00 H new ATOM 0 HG3 LYS A 94 1.053 3.186 -4.725 1.00 0.00 H new ATOM 0 HD2 LYS A 94 1.445 3.600 -7.003 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -0.263 3.953 -6.836 1.00 0.00 H new ATOM 0 HE2 LYS A 94 0.369 5.859 -7.957 1.00 0.00 H new ATOM 0 HE3 LYS A 94 0.646 6.418 -6.319 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 2.536 6.911 -7.708 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 2.988 5.765 -6.540 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 2.707 5.279 -8.142 1.00 0.00 H new ATOM 1497 N LYS A 95 -0.859 6.509 -1.384 1.00 0.00 N ATOM 1498 CA LYS A 95 -1.726 7.487 -0.732 1.00 0.00 C ATOM 1499 C LYS A 95 -2.510 8.294 -1.770 1.00 0.00 C ATOM 1500 O LYS A 95 -1.948 8.759 -2.764 1.00 0.00 O ATOM 1501 CB LYS A 95 -0.898 8.418 0.159 1.00 0.00 C ATOM 1502 CG LYS A 95 -1.650 9.648 0.647 1.00 0.00 C ATOM 1503 CD LYS A 95 -1.213 10.066 2.044 1.00 0.00 C ATOM 1504 CE LYS A 95 0.283 10.330 2.115 1.00 0.00 C ATOM 1505 NZ LYS A 95 0.870 9.857 3.398 1.00 0.00 N ATOM 0 H LYS A 95 0.133 6.620 -1.175 1.00 0.00 H new ATOM 0 HA LYS A 95 -2.441 6.952 -0.108 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -0.545 7.856 1.023 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -0.016 8.741 -0.393 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -1.485 10.473 -0.046 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -2.720 9.442 0.648 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -1.755 10.964 2.340 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -1.478 9.285 2.756 1.00 0.00 H new ATOM 0 HE2 LYS A 95 0.780 9.831 1.283 1.00 0.00 H new ATOM 0 HE3 LYS A 95 0.469 11.398 2.003 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 1.868 10.145 3.450 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 0.347 10.274 4.194 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 0.806 8.820 3.448 1.00 0.00 H new ATOM 1519 N ARG A 96 -3.810 8.449 -1.530 1.00 0.00 N ATOM 1520 CA ARG A 96 -4.682 9.189 -2.434 1.00 0.00 C ATOM 1521 C ARG A 96 -4.409 10.691 -2.337 1.00 0.00 C ATOM 1522 O ARG A 96 -5.002 11.394 -1.513 1.00 0.00 O ATOM 1523 CB ARG A 96 -6.150 8.881 -2.110 1.00 0.00 C ATOM 1524 CG ARG A 96 -7.147 9.555 -3.043 1.00 0.00 C ATOM 1525 CD ARG A 96 -7.891 10.685 -2.347 1.00 0.00 C ATOM 1526 NE ARG A 96 -8.622 10.220 -1.162 1.00 0.00 N ATOM 1527 CZ ARG A 96 -8.196 10.372 0.096 1.00 0.00 C ATOM 1528 NH1 ARG A 96 -7.032 10.955 0.356 1.00 0.00 N ATOM 1529 NH2 ARG A 96 -8.937 9.924 1.100 1.00 0.00 N ATOM 0 H ARG A 96 -4.284 8.068 -0.711 1.00 0.00 H new ATOM 0 HA ARG A 96 -4.476 8.876 -3.458 1.00 0.00 H new ATOM 0 HB2 ARG A 96 -6.302 7.802 -2.152 1.00 0.00 H new ATOM 0 HB3 ARG A 96 -6.358 9.193 -1.087 1.00 0.00 H new ATOM 0 HG2 ARG A 96 -6.623 9.947 -3.915 1.00 0.00 H new ATOM 0 HG3 ARG A 96 -7.862 8.817 -3.406 1.00 0.00 H new ATOM 0 HD2 ARG A 96 -7.181 11.459 -2.054 1.00 0.00 H new ATOM 0 HD3 ARG A 96 -8.590 11.143 -3.047 1.00 0.00 H new ATOM 0 HE ARG A 96 -9.515 9.749 -1.308 1.00 0.00 H new ATOM 0 HH11 ARG A 96 -6.449 11.294 -0.409 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -6.720 11.064 1.321 1.00 0.00 H new ATOM 0 HH21 ARG A 96 -9.828 9.465 0.911 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -8.616 10.038 2.061 1.00 0.00 H new ATOM 1543 N THR A 97 -3.498 11.171 -3.182 1.00 0.00 N ATOM 1544 CA THR A 97 -3.127 12.585 -3.203 1.00 0.00 C ATOM 1545 C THR A 97 -3.031 13.109 -4.639 1.00 0.00 C ATOM 1546 O THR A 97 -2.607 12.338 -5.530 1.00 0.00 O ATOM 1547 CB THR A 97 -1.798 12.794 -2.459 1.00 0.00 C ATOM 1548 OG1 THR A 97 -1.680 14.131 -2.008 1.00 0.00 O ATOM 1549 CG2 THR A 97 -0.571 12.485 -3.292 1.00 0.00 C ATOM 1550 OXT THR A 97 -3.388 14.285 -4.863 1.00 0.00 O ATOM 0 H THR A 97 -3.001 10.598 -3.864 1.00 0.00 H new ATOM 0 HA THR A 97 -3.907 13.151 -2.694 1.00 0.00 H new ATOM 0 HB THR A 97 -1.832 12.091 -1.627 1.00 0.00 H new ATOM 0 HG1 THR A 97 -0.829 14.243 -1.536 1.00 0.00 H new ATOM 0 HG21 THR A 97 0.326 12.657 -2.697 1.00 0.00 H new ATOM 0 HG22 THR A 97 -0.601 11.443 -3.611 1.00 0.00 H new ATOM 0 HG23 THR A 97 -0.554 13.132 -4.169 1.00 0.00 H new