USER MOD reduce.3.24.130724 H: found=0, std=0, add=1018, rem=0, adj=42 USER MOD reduce.3.24.130724 removed 1016 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 122 TYR OH : rot 165:sc= 0.351 USER MOD Set 1.2: A 126 GLN : amide:sc= -0.769! K(o=-0.42!,f=-2.2) USER MOD Set 2.1: A 55 THR OG1 : rot 180:sc= 0.1 USER MOD Set 2.2: A 56 GLN :FLIP amide:sc= -3.47! C(o=-5.8!,f=-3.4!) USER MOD Set 3.1: A 52 ASN : amide:sc= -2.19! C(o=-2!,f=-11!) USER MOD Set 3.2: A 54 THR OG1 : rot 13:sc= 0.572 USER MOD Set 3.3: A 59 MET CE :methyl 173:sc= -0.346 (180deg=0) USER MOD Set 4.1: A 20 THR OG1 : rot 180:sc= 0 USER MOD Set 4.2: A 98 THR OG1 : rot -120:sc= 0.115 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 174:sc= -0.338! (180deg=-0.419!) USER MOD Single : A 3 CYS SG : rot -12:sc= -0.644! USER MOD Single : A 6 SER OG : rot -44:sc= 0.207 USER MOD Single : A 7 SER OG : rot 157:sc= -1.12 USER MOD Single : A 9 ASN : amide:sc=-0.00305 K(o=-0.0031,f=-1.5!) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot 2:sc= 0.873 USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 TYR OH : rot 180:sc= -0.0467 USER MOD Single : A 16 ASN :FLIP amide:sc= -2.99! C(o=-5.6!,f=-3!) USER MOD Single : A 27 THR OG1 : rot -130:sc= -0.232 USER MOD Single : A 28 LYS NZ :NH3+ -117:sc= -1.35 (180deg=-3.87!) USER MOD Single : A 32 LYS NZ :NH3+ 155:sc= -0.0429 (180deg=-0.4) USER MOD Single : A 34 ASN : amide:sc= -1.52 K(o=-1.5,f=-2.9!) USER MOD Single : A 42 ASN : amide:sc= -3.37! C(o=-3.4!,f=-3.2!) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ 159:sc= -1.45! (180deg=-2.04!) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 GLN :FLIP amide:sc= -0.472 F(o=-1.3!,f=-0.47) USER MOD Single : A 50 TYR OH : rot 120:sc= 0.0135 USER MOD Single : A 51 TYR OH : rot 145:sc= 0.00209 USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 HIS : no HE2:sc= -4.57! C(o=-4.6!,f=-8.2!) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 ASN : amide:sc= -0.666 X(o=-0.67,f=-0.29) USER MOD Single : A 69 CYS SG : rot -14:sc= -5.74! USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 LYS NZ :NH3+ -108:sc= -2.26 (180deg=-5.05!) USER MOD Single : A 77 THR OG1 : rot 90:sc= 0.00321 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 GLN : amide:sc= -1.22 K(o=-1.2,f=-3!) USER MOD Single : A 82 GLN :FLIP amide:sc= -2.44! C(o=-5.2!,f=-2.4!) USER MOD Single : A 84 ASN :FLIP amide:sc= -3.77 F(o=-13!,f=-3.8) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 96 CYS SG : rot 180:sc= -0.0368 USER MOD Single : A 100 MET CE :methyl -153:sc= -0.27 (180deg=-1.57!) USER MOD Single : A 107 ASN : amide:sc= 0.799 K(o=0.8,f=-1.5!) USER MOD Single : A 110 LYS NZ :NH3+ 141:sc= -1.19 (180deg=-3.12!) USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 112 LYS NZ :NH3+ 156:sc= -0.0375 (180deg=-0.325) USER MOD Single : A 113 MET CE :methyl -155:sc= -0.295 (180deg=-2.1!) USER MOD Single : A 119 SER OG : rot 180:sc= 0 USER MOD Single : A 124 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 125 HIS :FLIP no HD1:sc= -0.288 F(o=-1.1,f=-0.29) USER MOD Single : A 129 LYS NZ :NH3+ 133:sc= 1.24 (180deg=0.453) USER MOD Single : A 131 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 4.545 -30.499 -2.754 1.00 0.00 N ATOM 2 CA MET A 1 3.210 -29.848 -2.883 1.00 0.00 C ATOM 3 C MET A 1 3.011 -28.870 -1.730 1.00 0.00 C ATOM 4 O MET A 1 2.328 -27.856 -1.874 1.00 0.00 O ATOM 5 CB MET A 1 2.118 -30.919 -2.854 1.00 0.00 C ATOM 6 CG MET A 1 2.331 -31.898 -4.010 1.00 0.00 C ATOM 7 SD MET A 1 3.638 -33.071 -3.573 1.00 0.00 S ATOM 8 CE MET A 1 4.217 -33.404 -5.256 1.00 0.00 C ATOM 0 H1 MET A 1 4.642 -31.239 -3.479 1.00 0.00 H new ATOM 0 H2 MET A 1 5.292 -29.787 -2.883 1.00 0.00 H new ATOM 0 H3 MET A 1 4.633 -30.926 -1.810 1.00 0.00 H new ATOM 0 HA MET A 1 3.154 -29.305 -3.827 1.00 0.00 H new ATOM 0 HB2 MET A 1 2.142 -31.452 -1.903 1.00 0.00 H new ATOM 0 HB3 MET A 1 1.136 -30.454 -2.934 1.00 0.00 H new ATOM 0 HG2 MET A 1 1.405 -32.432 -4.224 1.00 0.00 H new ATOM 0 HG3 MET A 1 2.603 -31.355 -4.915 1.00 0.00 H new ATOM 0 HE1 MET A 1 5.040 -34.118 -5.223 1.00 0.00 H new ATOM 0 HE2 MET A 1 3.400 -33.819 -5.847 1.00 0.00 H new ATOM 0 HE3 MET A 1 4.560 -32.476 -5.713 1.00 0.00 H new ATOM 18 N GLY A 2 3.612 -29.182 -0.586 1.00 0.00 N ATOM 19 CA GLY A 2 3.494 -28.324 0.586 1.00 0.00 C ATOM 20 C GLY A 2 4.122 -26.958 0.327 1.00 0.00 C ATOM 21 O GLY A 2 5.158 -26.856 -0.330 1.00 0.00 O ATOM 0 H GLY A 2 4.182 -30.017 -0.447 1.00 0.00 H new ATOM 0 HA2 GLY A 2 2.443 -28.202 0.848 1.00 0.00 H new ATOM 0 HA3 GLY A 2 3.982 -28.797 1.438 1.00 0.00 H new ATOM 25 N CYS A 3 3.490 -25.913 0.849 1.00 0.00 N ATOM 26 CA CYS A 3 3.996 -24.557 0.668 1.00 0.00 C ATOM 27 C CYS A 3 3.539 -23.656 1.811 1.00 0.00 C ATOM 28 O CYS A 3 3.844 -22.465 1.835 1.00 0.00 O ATOM 29 CB CYS A 3 3.501 -23.988 -0.662 1.00 0.00 C ATOM 30 SG CYS A 3 4.060 -25.048 -2.019 1.00 0.00 S ATOM 0 H CYS A 3 2.632 -25.977 1.397 1.00 0.00 H new ATOM 0 HA CYS A 3 5.085 -24.594 0.664 1.00 0.00 H new ATOM 0 HB2 CYS A 3 2.413 -23.925 -0.660 1.00 0.00 H new ATOM 0 HB3 CYS A 3 3.878 -22.975 -0.799 1.00 0.00 H new ATOM 0 HG CYS A 3 4.949 -25.887 -1.576 1.00 0.00 H new ATOM 36 N GLY A 4 2.808 -24.236 2.757 1.00 0.00 N ATOM 37 CA GLY A 4 2.314 -23.476 3.900 1.00 0.00 C ATOM 38 C GLY A 4 1.095 -22.645 3.515 1.00 0.00 C ATOM 39 O GLY A 4 0.873 -21.562 4.057 1.00 0.00 O ATOM 0 H GLY A 4 2.546 -25.222 2.756 1.00 0.00 H new ATOM 0 HA2 GLY A 4 2.053 -24.158 4.710 1.00 0.00 H new ATOM 0 HA3 GLY A 4 3.101 -22.822 4.275 1.00 0.00 H new ATOM 43 N ALA A 5 0.307 -23.159 2.576 1.00 0.00 N ATOM 44 CA ALA A 5 -0.889 -22.455 2.127 1.00 0.00 C ATOM 45 C ALA A 5 -1.913 -22.366 3.253 1.00 0.00 C ATOM 46 O ALA A 5 -2.127 -23.330 3.988 1.00 0.00 O ATOM 47 CB ALA A 5 -1.504 -23.183 0.930 1.00 0.00 C ATOM 0 H ALA A 5 0.473 -24.053 2.114 1.00 0.00 H new ATOM 0 HA ALA A 5 -0.604 -21.445 1.831 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -2.397 -22.651 0.600 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -0.781 -23.218 0.115 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -1.773 -24.198 1.221 1.00 0.00 H new ATOM 53 N SER A 6 -2.543 -21.203 3.383 1.00 0.00 N ATOM 54 CA SER A 6 -3.545 -20.999 4.423 1.00 0.00 C ATOM 55 C SER A 6 -2.924 -21.170 5.805 1.00 0.00 C ATOM 56 O SER A 6 -3.590 -20.980 6.823 1.00 0.00 O ATOM 57 CB SER A 6 -4.689 -21.998 4.248 1.00 0.00 C ATOM 58 OG SER A 6 -5.791 -21.594 5.050 1.00 0.00 O ATOM 0 H SER A 6 -2.379 -20.393 2.786 1.00 0.00 H new ATOM 0 HA SER A 6 -3.933 -19.984 4.335 1.00 0.00 H new ATOM 0 HB2 SER A 6 -4.986 -22.049 3.200 1.00 0.00 H new ATOM 0 HB3 SER A 6 -4.362 -22.997 4.535 1.00 0.00 H new ATOM 0 HG SER A 6 -5.470 -21.329 5.937 1.00 0.00 H new ATOM 64 N SER A 7 -1.645 -21.532 5.834 1.00 0.00 N ATOM 65 CA SER A 7 -0.944 -21.727 7.097 1.00 0.00 C ATOM 66 C SER A 7 0.017 -20.572 7.362 1.00 0.00 C ATOM 67 O SER A 7 0.614 -20.481 8.434 1.00 0.00 O ATOM 68 CB SER A 7 -0.166 -23.043 7.064 1.00 0.00 C ATOM 69 OG SER A 7 1.089 -22.831 6.431 1.00 0.00 O ATOM 0 H SER A 7 -1.077 -21.695 5.003 1.00 0.00 H new ATOM 0 HA SER A 7 -1.682 -21.761 7.898 1.00 0.00 H new ATOM 0 HB2 SER A 7 -0.017 -23.416 8.077 1.00 0.00 H new ATOM 0 HB3 SER A 7 -0.734 -23.801 6.526 1.00 0.00 H new ATOM 0 HG SER A 7 1.722 -23.522 6.719 1.00 0.00 H new ATOM 75 N GLU A 8 0.161 -19.692 6.376 1.00 0.00 N ATOM 76 CA GLU A 8 1.052 -18.545 6.514 1.00 0.00 C ATOM 77 C GLU A 8 0.444 -17.503 7.447 1.00 0.00 C ATOM 78 O GLU A 8 -0.770 -17.300 7.459 1.00 0.00 O ATOM 79 CB GLU A 8 1.311 -17.918 5.143 1.00 0.00 C ATOM 80 CG GLU A 8 -0.020 -17.513 4.507 1.00 0.00 C ATOM 81 CD GLU A 8 -0.506 -16.197 5.107 1.00 0.00 C ATOM 82 OE1 GLU A 8 0.309 -15.495 5.682 1.00 0.00 O ATOM 83 OE2 GLU A 8 -1.686 -15.912 4.981 1.00 0.00 O ATOM 0 H GLU A 8 -0.323 -19.750 5.480 1.00 0.00 H new ATOM 0 HA GLU A 8 1.995 -18.889 6.939 1.00 0.00 H new ATOM 0 HB2 GLU A 8 1.957 -17.046 5.246 1.00 0.00 H new ATOM 0 HB3 GLU A 8 1.833 -18.627 4.500 1.00 0.00 H new ATOM 0 HG2 GLU A 8 0.100 -17.408 3.429 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -0.763 -18.293 4.671 1.00 0.00 H new ATOM 90 N ASN A 9 1.296 -16.845 8.226 1.00 0.00 N ATOM 91 CA ASN A 9 0.831 -15.825 9.160 1.00 0.00 C ATOM 92 C ASN A 9 0.788 -14.459 8.482 1.00 0.00 C ATOM 93 O ASN A 9 -0.286 -13.898 8.262 1.00 0.00 O ATOM 94 CB ASN A 9 1.760 -15.766 10.374 1.00 0.00 C ATOM 95 CG ASN A 9 1.733 -17.097 11.116 1.00 0.00 C ATOM 96 OD1 ASN A 9 0.859 -17.928 10.871 1.00 0.00 O ATOM 97 ND2 ASN A 9 2.644 -17.351 12.016 1.00 0.00 N ATOM 0 H ASN A 9 2.305 -16.998 8.230 1.00 0.00 H new ATOM 0 HA ASN A 9 -0.175 -16.088 9.486 1.00 0.00 H new ATOM 0 HB2 ASN A 9 2.777 -15.539 10.053 1.00 0.00 H new ATOM 0 HB3 ASN A 9 1.450 -14.962 11.041 1.00 0.00 H new ATOM 0 HD21 ASN A 9 2.632 -18.239 12.517 1.00 0.00 H new ATOM 0 HD22 ASN A 9 3.368 -16.661 12.218 1.00 0.00 H new ATOM 104 N SER A 10 1.962 -13.929 8.155 1.00 0.00 N ATOM 105 CA SER A 10 2.046 -12.628 7.503 1.00 0.00 C ATOM 106 C SER A 10 2.671 -12.761 6.118 1.00 0.00 C ATOM 107 O SER A 10 3.540 -13.604 5.897 1.00 0.00 O ATOM 108 CB SER A 10 2.883 -11.671 8.352 1.00 0.00 C ATOM 109 OG SER A 10 2.296 -11.551 9.640 1.00 0.00 O ATOM 0 H SER A 10 2.862 -14.377 8.329 1.00 0.00 H new ATOM 0 HA SER A 10 1.036 -12.231 7.397 1.00 0.00 H new ATOM 0 HB2 SER A 10 3.904 -12.042 8.438 1.00 0.00 H new ATOM 0 HB3 SER A 10 2.938 -10.694 7.872 1.00 0.00 H new ATOM 0 HG SER A 10 2.831 -10.939 10.188 1.00 0.00 H new ATOM 115 N SER A 11 2.223 -11.922 5.189 1.00 0.00 N ATOM 116 CA SER A 11 2.747 -11.955 3.828 1.00 0.00 C ATOM 117 C SER A 11 2.505 -10.620 3.130 1.00 0.00 C ATOM 118 O SER A 11 2.116 -9.639 3.763 1.00 0.00 O ATOM 119 CB SER A 11 2.074 -13.076 3.035 1.00 0.00 C ATOM 120 OG SER A 11 2.553 -14.332 3.501 1.00 0.00 O ATOM 0 H SER A 11 1.504 -11.217 5.352 1.00 0.00 H new ATOM 0 HA SER A 11 3.820 -12.139 3.876 1.00 0.00 H new ATOM 0 HB2 SER A 11 0.992 -13.020 3.151 1.00 0.00 H new ATOM 0 HB3 SER A 11 2.287 -12.964 1.972 1.00 0.00 H new ATOM 0 HG SER A 11 3.180 -14.189 4.240 1.00 0.00 H new ATOM 126 N VAL A 12 2.737 -10.592 1.822 1.00 0.00 N ATOM 127 CA VAL A 12 2.541 -9.371 1.048 1.00 0.00 C ATOM 128 C VAL A 12 1.813 -9.677 -0.258 1.00 0.00 C ATOM 129 O VAL A 12 2.142 -10.638 -0.952 1.00 0.00 O ATOM 130 CB VAL A 12 3.891 -8.723 0.742 1.00 0.00 C ATOM 131 CG1 VAL A 12 3.671 -7.297 0.233 1.00 0.00 C ATOM 132 CG2 VAL A 12 4.737 -8.683 2.017 1.00 0.00 C ATOM 0 H VAL A 12 3.058 -11.393 1.279 1.00 0.00 H new ATOM 0 HA VAL A 12 1.935 -8.683 1.637 1.00 0.00 H new ATOM 0 HB VAL A 12 4.408 -9.305 -0.021 1.00 0.00 H new ATOM 0 HG11 VAL A 12 4.634 -6.836 0.015 1.00 0.00 H new ATOM 0 HG12 VAL A 12 3.068 -7.324 -0.675 1.00 0.00 H new ATOM 0 HG13 VAL A 12 3.154 -6.714 0.995 1.00 0.00 H new ATOM 0 HG21 VAL A 12 5.700 -8.221 1.800 1.00 0.00 H new ATOM 0 HG22 VAL A 12 4.219 -8.101 2.779 1.00 0.00 H new ATOM 0 HG23 VAL A 12 4.895 -9.698 2.381 1.00 0.00 H new ATOM 142 N THR A 13 0.822 -8.853 -0.585 1.00 0.00 N ATOM 143 CA THR A 13 0.054 -9.049 -1.808 1.00 0.00 C ATOM 144 C THR A 13 0.039 -7.773 -2.644 1.00 0.00 C ATOM 145 O THR A 13 -0.112 -6.672 -2.113 1.00 0.00 O ATOM 146 CB THR A 13 -1.382 -9.450 -1.463 1.00 0.00 C ATOM 147 OG1 THR A 13 -1.372 -10.336 -0.353 1.00 0.00 O ATOM 148 CG2 THR A 13 -2.023 -10.144 -2.666 1.00 0.00 C ATOM 0 H THR A 13 0.534 -8.050 -0.025 1.00 0.00 H new ATOM 0 HA THR A 13 0.526 -9.843 -2.387 1.00 0.00 H new ATOM 0 HB THR A 13 -1.957 -8.559 -1.211 1.00 0.00 H new ATOM 0 HG1 THR A 13 -2.291 -10.592 -0.130 1.00 0.00 H new ATOM 0 HG21 THR A 13 -3.046 -10.429 -2.419 1.00 0.00 H new ATOM 0 HG22 THR A 13 -2.032 -9.463 -3.517 1.00 0.00 H new ATOM 0 HG23 THR A 13 -1.449 -11.035 -2.920 1.00 0.00 H new ATOM 156 N TYR A 14 0.195 -7.929 -3.954 1.00 0.00 N ATOM 157 CA TYR A 14 0.195 -6.784 -4.857 1.00 0.00 C ATOM 158 C TYR A 14 -0.989 -6.860 -5.815 1.00 0.00 C ATOM 159 O TYR A 14 -1.678 -7.879 -5.885 1.00 0.00 O ATOM 160 CB TYR A 14 1.498 -6.748 -5.656 1.00 0.00 C ATOM 161 CG TYR A 14 2.669 -6.651 -4.707 1.00 0.00 C ATOM 162 CD1 TYR A 14 2.886 -5.474 -3.981 1.00 0.00 C ATOM 163 CD2 TYR A 14 3.538 -7.737 -4.552 1.00 0.00 C ATOM 164 CE1 TYR A 14 3.971 -5.382 -3.101 1.00 0.00 C ATOM 165 CE2 TYR A 14 4.623 -7.647 -3.672 1.00 0.00 C ATOM 166 CZ TYR A 14 4.840 -6.469 -2.947 1.00 0.00 C ATOM 167 OH TYR A 14 5.908 -6.380 -2.080 1.00 0.00 O ATOM 0 H TYR A 14 0.322 -8.831 -4.412 1.00 0.00 H new ATOM 0 HA TYR A 14 0.110 -5.875 -4.262 1.00 0.00 H new ATOM 0 HB2 TYR A 14 1.586 -7.645 -6.269 1.00 0.00 H new ATOM 0 HB3 TYR A 14 1.496 -5.896 -6.336 1.00 0.00 H new ATOM 0 HD1 TYR A 14 2.216 -4.636 -4.100 1.00 0.00 H new ATOM 0 HD2 TYR A 14 3.371 -8.645 -5.112 1.00 0.00 H new ATOM 0 HE1 TYR A 14 4.138 -4.473 -2.541 1.00 0.00 H new ATOM 0 HE2 TYR A 14 5.292 -8.486 -3.552 1.00 0.00 H new ATOM 0 HH TYR A 14 6.410 -7.222 -2.091 1.00 0.00 H new ATOM 177 N VAL A 15 -1.222 -5.778 -6.551 1.00 0.00 N ATOM 178 CA VAL A 15 -2.329 -5.737 -7.498 1.00 0.00 C ATOM 179 C VAL A 15 -1.845 -5.280 -8.871 1.00 0.00 C ATOM 180 O VAL A 15 -2.049 -5.968 -9.871 1.00 0.00 O ATOM 181 CB VAL A 15 -3.411 -4.781 -6.993 1.00 0.00 C ATOM 182 CG1 VAL A 15 -2.774 -3.701 -6.118 1.00 0.00 C ATOM 183 CG2 VAL A 15 -4.105 -4.122 -8.188 1.00 0.00 C ATOM 0 H VAL A 15 -0.664 -4.925 -6.511 1.00 0.00 H new ATOM 0 HA VAL A 15 -2.743 -6.741 -7.588 1.00 0.00 H new ATOM 0 HB VAL A 15 -4.141 -5.338 -6.407 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -3.547 -3.021 -5.759 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -2.278 -4.168 -5.267 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -2.043 -3.143 -6.703 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -4.877 -3.440 -7.830 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -3.372 -3.566 -8.773 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -4.561 -4.890 -8.813 1.00 0.00 H new ATOM 193 N ASN A 16 -1.206 -4.116 -8.910 1.00 0.00 N ATOM 194 CA ASN A 16 -0.711 -3.570 -10.169 1.00 0.00 C ATOM 195 C ASN A 16 0.562 -4.289 -10.603 1.00 0.00 C ATOM 196 O ASN A 16 0.894 -4.321 -11.788 1.00 0.00 O ATOM 197 CB ASN A 16 -0.426 -2.075 -10.012 1.00 0.00 C ATOM 198 CG ASN A 16 -1.726 -1.322 -9.748 1.00 0.00 C ATOM 199 OD1 ASN A 16 -1.991 -0.899 -8.542 1.00 0.00 O flip ATOM 200 ND2 ASN A 16 -2.522 -1.115 -10.664 1.00 0.00 N flip ATOM 0 H ASN A 16 -1.019 -3.536 -8.092 1.00 0.00 H new ATOM 0 HA ASN A 16 -1.475 -3.717 -10.932 1.00 0.00 H new ATOM 0 HB2 ASN A 16 0.271 -1.913 -9.190 1.00 0.00 H new ATOM 0 HB3 ASN A 16 0.050 -1.690 -10.914 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -2.313 -1.446 -11.606 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -3.390 -0.612 -10.481 1.00 0.00 H new ATOM 207 N GLY A 17 1.271 -4.865 -9.638 1.00 0.00 N ATOM 208 CA GLY A 17 2.505 -5.582 -9.934 1.00 0.00 C ATOM 209 C GLY A 17 3.433 -5.595 -8.723 1.00 0.00 C ATOM 210 O GLY A 17 3.141 -4.976 -7.701 1.00 0.00 O ATOM 0 H GLY A 17 1.014 -4.850 -8.651 1.00 0.00 H new ATOM 0 HA2 GLY A 17 2.273 -6.605 -10.230 1.00 0.00 H new ATOM 0 HA3 GLY A 17 3.009 -5.112 -10.778 1.00 0.00 H new ATOM 214 N ARG A 18 4.550 -6.304 -8.848 1.00 0.00 N ATOM 215 CA ARG A 18 5.513 -6.392 -7.756 1.00 0.00 C ATOM 216 C ARG A 18 6.484 -5.218 -7.803 1.00 0.00 C ATOM 217 O ARG A 18 6.717 -4.633 -8.861 1.00 0.00 O ATOM 218 CB ARG A 18 6.291 -7.706 -7.852 1.00 0.00 C ATOM 219 CG ARG A 18 5.563 -8.790 -7.054 1.00 0.00 C ATOM 220 CD ARG A 18 4.145 -8.961 -7.601 1.00 0.00 C ATOM 221 NE ARG A 18 3.509 -10.127 -6.998 1.00 0.00 N ATOM 222 CZ ARG A 18 2.445 -10.695 -7.557 1.00 0.00 C ATOM 223 NH1 ARG A 18 1.953 -10.210 -8.665 1.00 0.00 N ATOM 224 NH2 ARG A 18 1.893 -11.738 -7.000 1.00 0.00 N ATOM 0 H ARG A 18 4.810 -6.822 -9.687 1.00 0.00 H new ATOM 0 HA ARG A 18 4.969 -6.360 -6.812 1.00 0.00 H new ATOM 0 HB2 ARG A 18 6.386 -8.009 -8.895 1.00 0.00 H new ATOM 0 HB3 ARG A 18 7.301 -7.572 -7.466 1.00 0.00 H new ATOM 0 HG2 ARG A 18 6.106 -9.733 -7.121 1.00 0.00 H new ATOM 0 HG3 ARG A 18 5.527 -8.518 -5.999 1.00 0.00 H new ATOM 0 HD2 ARG A 18 3.557 -8.068 -7.391 1.00 0.00 H new ATOM 0 HD3 ARG A 18 4.177 -9.075 -8.685 1.00 0.00 H new ATOM 0 HE ARG A 18 3.887 -10.513 -6.133 1.00 0.00 H new ATOM 0 HH11 ARG A 18 2.385 -9.396 -9.101 1.00 0.00 H new ATOM 0 HH12 ARG A 18 1.137 -10.646 -9.094 1.00 0.00 H new ATOM 0 HH21 ARG A 18 2.278 -12.118 -6.135 1.00 0.00 H new ATOM 0 HH22 ARG A 18 1.077 -12.173 -7.429 1.00 0.00 H new ATOM 238 N PRO A 19 7.046 -4.866 -6.679 1.00 0.00 N ATOM 239 CA PRO A 19 8.032 -3.754 -6.582 1.00 0.00 C ATOM 240 C PRO A 19 9.342 -4.080 -7.297 1.00 0.00 C ATOM 241 O PRO A 19 9.800 -5.222 -7.284 1.00 0.00 O ATOM 242 CB PRO A 19 8.254 -3.602 -5.077 1.00 0.00 C ATOM 243 CG PRO A 19 7.143 -4.366 -4.431 1.00 0.00 C ATOM 244 CD PRO A 19 6.778 -5.513 -5.376 1.00 0.00 C ATOM 0 HA PRO A 19 7.671 -2.843 -7.060 1.00 0.00 H new ATOM 0 HB2 PRO A 19 9.226 -3.997 -4.782 1.00 0.00 H new ATOM 0 HB3 PRO A 19 8.233 -2.553 -4.781 1.00 0.00 H new ATOM 0 HG2 PRO A 19 7.454 -4.751 -3.460 1.00 0.00 H new ATOM 0 HG3 PRO A 19 6.282 -3.721 -4.257 1.00 0.00 H new ATOM 0 HD2 PRO A 19 7.394 -6.398 -5.215 1.00 0.00 H new ATOM 0 HD3 PRO A 19 5.739 -5.825 -5.271 1.00 0.00 H new ATOM 252 N THR A 20 9.938 -3.067 -7.918 1.00 0.00 N ATOM 253 CA THR A 20 11.202 -3.252 -8.622 1.00 0.00 C ATOM 254 C THR A 20 12.347 -3.424 -7.629 1.00 0.00 C ATOM 255 O THR A 20 13.369 -4.033 -7.945 1.00 0.00 O ATOM 256 CB THR A 20 11.479 -2.046 -9.522 1.00 0.00 C ATOM 257 OG1 THR A 20 10.353 -1.809 -10.355 1.00 0.00 O ATOM 258 CG2 THR A 20 12.708 -2.324 -10.388 1.00 0.00 C ATOM 0 H THR A 20 9.569 -2.116 -7.948 1.00 0.00 H new ATOM 0 HA THR A 20 11.129 -4.151 -9.233 1.00 0.00 H new ATOM 0 HB THR A 20 11.665 -1.167 -8.904 1.00 0.00 H new ATOM 0 HG1 THR A 20 10.529 -1.036 -10.931 1.00 0.00 H new ATOM 0 HG21 THR A 20 12.904 -1.464 -11.028 1.00 0.00 H new ATOM 0 HG22 THR A 20 13.571 -2.504 -9.747 1.00 0.00 H new ATOM 0 HG23 THR A 20 12.526 -3.203 -11.006 1.00 0.00 H new ATOM 266 N PHE A 21 12.167 -2.884 -6.428 1.00 0.00 N ATOM 267 CA PHE A 21 13.189 -2.988 -5.393 1.00 0.00 C ATOM 268 C PHE A 21 12.762 -3.982 -4.318 1.00 0.00 C ATOM 269 O PHE A 21 11.620 -3.962 -3.859 1.00 0.00 O ATOM 270 CB PHE A 21 13.429 -1.617 -4.757 1.00 0.00 C ATOM 271 CG PHE A 21 14.539 -1.719 -3.740 1.00 0.00 C ATOM 272 CD1 PHE A 21 15.875 -1.735 -4.161 1.00 0.00 C ATOM 273 CD2 PHE A 21 14.234 -1.797 -2.376 1.00 0.00 C ATOM 274 CE1 PHE A 21 16.904 -1.828 -3.217 1.00 0.00 C ATOM 275 CE2 PHE A 21 15.264 -1.890 -1.433 1.00 0.00 C ATOM 276 CZ PHE A 21 16.599 -1.906 -1.852 1.00 0.00 C ATOM 0 H PHE A 21 11.329 -2.373 -6.149 1.00 0.00 H new ATOM 0 HA PHE A 21 14.112 -3.341 -5.853 1.00 0.00 H new ATOM 0 HB2 PHE A 21 13.691 -0.889 -5.525 1.00 0.00 H new ATOM 0 HB3 PHE A 21 12.516 -1.261 -4.280 1.00 0.00 H new ATOM 0 HD1 PHE A 21 16.111 -1.676 -5.213 1.00 0.00 H new ATOM 0 HD2 PHE A 21 13.204 -1.785 -2.051 1.00 0.00 H new ATOM 0 HE1 PHE A 21 17.934 -1.840 -3.541 1.00 0.00 H new ATOM 0 HE2 PHE A 21 15.028 -1.949 -0.381 1.00 0.00 H new ATOM 0 HZ PHE A 21 17.393 -1.978 -1.124 1.00 0.00 H new ATOM 286 N VAL A 22 13.686 -4.852 -3.920 1.00 0.00 N ATOM 287 CA VAL A 22 13.390 -5.856 -2.905 1.00 0.00 C ATOM 288 C VAL A 22 14.347 -5.723 -1.724 1.00 0.00 C ATOM 289 O VAL A 22 15.559 -5.609 -1.905 1.00 0.00 O ATOM 290 CB VAL A 22 13.509 -7.257 -3.505 1.00 0.00 C ATOM 291 CG1 VAL A 22 12.381 -8.141 -2.972 1.00 0.00 C ATOM 292 CG2 VAL A 22 13.408 -7.168 -5.030 1.00 0.00 C ATOM 0 H VAL A 22 14.639 -4.882 -4.282 1.00 0.00 H new ATOM 0 HA VAL A 22 12.371 -5.698 -2.552 1.00 0.00 H new ATOM 0 HB VAL A 22 14.470 -7.689 -3.227 1.00 0.00 H new ATOM 0 HG11 VAL A 22 12.468 -9.139 -3.401 1.00 0.00 H new ATOM 0 HG12 VAL A 22 12.451 -8.205 -1.886 1.00 0.00 H new ATOM 0 HG13 VAL A 22 11.419 -7.709 -3.248 1.00 0.00 H new ATOM 0 HG21 VAL A 22 13.493 -8.166 -5.459 1.00 0.00 H new ATOM 0 HG22 VAL A 22 12.447 -6.735 -5.306 1.00 0.00 H new ATOM 0 HG23 VAL A 22 14.213 -6.539 -5.412 1.00 0.00 H new ATOM 302 N GLY A 23 13.794 -5.738 -0.516 1.00 0.00 N ATOM 303 CA GLY A 23 14.609 -5.619 0.687 1.00 0.00 C ATOM 304 C GLY A 23 14.446 -6.845 1.579 1.00 0.00 C ATOM 305 O GLY A 23 14.910 -7.935 1.245 1.00 0.00 O ATOM 0 H GLY A 23 12.793 -5.831 -0.344 1.00 0.00 H new ATOM 0 HA2 GLY A 23 15.657 -5.502 0.411 1.00 0.00 H new ATOM 0 HA3 GLY A 23 14.323 -4.723 1.238 1.00 0.00 H new ATOM 309 N GLU A 24 13.783 -6.659 2.716 1.00 0.00 N ATOM 310 CA GLU A 24 13.562 -7.760 3.648 1.00 0.00 C ATOM 311 C GLU A 24 12.242 -7.577 4.390 1.00 0.00 C ATOM 312 O GLU A 24 11.348 -8.420 4.305 1.00 0.00 O ATOM 313 CB GLU A 24 14.711 -7.831 4.655 1.00 0.00 C ATOM 314 CG GLU A 24 14.576 -9.102 5.495 1.00 0.00 C ATOM 315 CD GLU A 24 15.692 -9.162 6.532 1.00 0.00 C ATOM 316 OE1 GLU A 24 16.536 -8.282 6.517 1.00 0.00 O ATOM 317 OE2 GLU A 24 15.687 -10.089 7.326 1.00 0.00 O ATOM 0 H GLU A 24 13.392 -5.765 3.013 1.00 0.00 H new ATOM 0 HA GLU A 24 13.520 -8.689 3.080 1.00 0.00 H new ATOM 0 HB2 GLU A 24 15.667 -7.828 4.132 1.00 0.00 H new ATOM 0 HB3 GLU A 24 14.698 -6.953 5.300 1.00 0.00 H new ATOM 0 HG2 GLU A 24 13.606 -9.118 5.991 1.00 0.00 H new ATOM 0 HG3 GLU A 24 14.619 -9.980 4.851 1.00 0.00 H new ATOM 324 N GLU A 25 12.128 -6.472 5.120 1.00 0.00 N ATOM 325 CA GLU A 25 10.909 -6.185 5.867 1.00 0.00 C ATOM 326 C GLU A 25 9.959 -5.327 5.035 1.00 0.00 C ATOM 327 O GLU A 25 10.348 -4.284 4.511 1.00 0.00 O ATOM 328 CB GLU A 25 11.252 -5.454 7.167 1.00 0.00 C ATOM 329 CG GLU A 25 10.007 -5.375 8.051 1.00 0.00 C ATOM 330 CD GLU A 25 9.636 -6.765 8.556 1.00 0.00 C ATOM 331 OE1 GLU A 25 10.516 -7.607 8.612 1.00 0.00 O ATOM 332 OE2 GLU A 25 8.477 -6.966 8.879 1.00 0.00 O ATOM 0 H GLU A 25 12.859 -5.766 5.210 1.00 0.00 H new ATOM 0 HA GLU A 25 10.418 -7.130 6.100 1.00 0.00 H new ATOM 0 HB2 GLU A 25 12.051 -5.978 7.692 1.00 0.00 H new ATOM 0 HB3 GLU A 25 11.619 -4.452 6.947 1.00 0.00 H new ATOM 0 HG2 GLU A 25 10.192 -4.710 8.895 1.00 0.00 H new ATOM 0 HG3 GLU A 25 9.177 -4.951 7.487 1.00 0.00 H new ATOM 339 N VAL A 26 8.714 -5.775 4.919 1.00 0.00 N ATOM 340 CA VAL A 26 7.718 -5.040 4.150 1.00 0.00 C ATOM 341 C VAL A 26 6.542 -4.641 5.036 1.00 0.00 C ATOM 342 O VAL A 26 6.030 -5.452 5.807 1.00 0.00 O ATOM 343 CB VAL A 26 7.215 -5.900 2.989 1.00 0.00 C ATOM 344 CG1 VAL A 26 6.562 -5.004 1.935 1.00 0.00 C ATOM 345 CG2 VAL A 26 8.394 -6.646 2.362 1.00 0.00 C ATOM 0 H VAL A 26 8.372 -6.637 5.344 1.00 0.00 H new ATOM 0 HA VAL A 26 8.185 -4.137 3.758 1.00 0.00 H new ATOM 0 HB VAL A 26 6.483 -6.618 3.359 1.00 0.00 H new ATOM 0 HG11 VAL A 26 6.204 -5.617 1.108 1.00 0.00 H new ATOM 0 HG12 VAL A 26 5.723 -4.470 2.381 1.00 0.00 H new ATOM 0 HG13 VAL A 26 7.293 -4.286 1.564 1.00 0.00 H new ATOM 0 HG21 VAL A 26 8.038 -7.259 1.534 1.00 0.00 H new ATOM 0 HG22 VAL A 26 9.125 -5.927 1.992 1.00 0.00 H new ATOM 0 HG23 VAL A 26 8.861 -7.284 3.112 1.00 0.00 H new ATOM 355 N THR A 27 6.119 -3.387 4.919 1.00 0.00 N ATOM 356 CA THR A 27 5.008 -2.887 5.721 1.00 0.00 C ATOM 357 C THR A 27 4.134 -1.948 4.897 1.00 0.00 C ATOM 358 O THR A 27 4.639 -1.081 4.183 1.00 0.00 O ATOM 359 CB THR A 27 5.542 -2.145 6.948 1.00 0.00 C ATOM 360 OG1 THR A 27 6.854 -2.606 7.244 1.00 0.00 O ATOM 361 CG2 THR A 27 4.626 -2.404 8.144 1.00 0.00 C ATOM 0 H THR A 27 6.525 -2.702 4.281 1.00 0.00 H new ATOM 0 HA THR A 27 4.406 -3.736 6.044 1.00 0.00 H new ATOM 0 HB THR A 27 5.570 -1.075 6.742 1.00 0.00 H new ATOM 0 HG1 THR A 27 6.913 -2.838 8.194 1.00 0.00 H new ATOM 0 HG21 THR A 27 5.008 -1.874 9.017 1.00 0.00 H new ATOM 0 HG22 THR A 27 3.621 -2.049 7.916 1.00 0.00 H new ATOM 0 HG23 THR A 27 4.595 -3.473 8.353 1.00 0.00 H new ATOM 369 N LYS A 28 2.821 -2.128 4.997 1.00 0.00 N ATOM 370 CA LYS A 28 1.887 -1.292 4.250 1.00 0.00 C ATOM 371 C LYS A 28 1.733 0.069 4.920 1.00 0.00 C ATOM 372 O LYS A 28 1.588 0.159 6.140 1.00 0.00 O ATOM 373 CB LYS A 28 0.524 -1.980 4.166 1.00 0.00 C ATOM 374 CG LYS A 28 -0.031 -2.189 5.577 1.00 0.00 C ATOM 375 CD LYS A 28 -1.301 -3.040 5.506 1.00 0.00 C ATOM 376 CE LYS A 28 -2.006 -3.018 6.863 1.00 0.00 C ATOM 377 NZ LYS A 28 -2.433 -1.626 7.179 1.00 0.00 N ATOM 0 H LYS A 28 2.382 -2.839 5.582 1.00 0.00 H new ATOM 0 HA LYS A 28 2.282 -1.146 3.245 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -0.166 -1.374 3.579 1.00 0.00 H new ATOM 0 HB3 LYS A 28 0.620 -2.938 3.656 1.00 0.00 H new ATOM 0 HG2 LYS A 28 0.714 -2.680 6.203 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -0.251 -1.227 6.039 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -1.966 -2.656 4.732 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -1.050 -4.065 5.231 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -2.872 -3.680 6.846 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -1.336 -3.389 7.639 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -1.940 -1.297 8.033 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -2.198 -1.001 6.381 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -3.460 -1.607 7.343 1.00 0.00 H new ATOM 391 N GLY A 29 1.766 1.126 4.115 1.00 0.00 N ATOM 392 CA GLY A 29 1.622 2.479 4.639 1.00 0.00 C ATOM 393 C GLY A 29 0.154 2.825 4.860 1.00 0.00 C ATOM 394 O GLY A 29 -0.260 3.136 5.977 1.00 0.00 O ATOM 0 H GLY A 29 1.890 1.073 3.104 1.00 0.00 H new ATOM 0 HA2 GLY A 29 2.166 2.569 5.579 1.00 0.00 H new ATOM 0 HA3 GLY A 29 2.067 3.191 3.944 1.00 0.00 H new ATOM 398 N PHE A 30 -0.629 2.770 3.788 1.00 0.00 N ATOM 399 CA PHE A 30 -2.051 3.077 3.876 1.00 0.00 C ATOM 400 C PHE A 30 -2.840 1.846 4.311 1.00 0.00 C ATOM 401 O PHE A 30 -2.736 0.782 3.701 1.00 0.00 O ATOM 402 CB PHE A 30 -2.566 3.561 2.519 1.00 0.00 C ATOM 403 CG PHE A 30 -1.827 4.816 2.121 1.00 0.00 C ATOM 404 CD1 PHE A 30 -2.237 6.058 2.620 1.00 0.00 C ATOM 405 CD2 PHE A 30 -0.732 4.737 1.253 1.00 0.00 C ATOM 406 CE1 PHE A 30 -1.552 7.223 2.249 1.00 0.00 C ATOM 407 CE2 PHE A 30 -0.046 5.902 0.882 1.00 0.00 C ATOM 408 CZ PHE A 30 -0.457 7.144 1.381 1.00 0.00 C ATOM 0 H PHE A 30 -0.306 2.517 2.854 1.00 0.00 H new ATOM 0 HA PHE A 30 -2.188 3.863 4.618 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -2.422 2.787 1.766 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -3.637 3.758 2.573 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -3.081 6.118 3.291 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -0.415 3.779 0.869 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -1.869 8.181 2.633 1.00 0.00 H new ATOM 0 HE2 PHE A 30 0.799 5.842 0.212 1.00 0.00 H new ATOM 0 HZ PHE A 30 0.071 8.042 1.096 1.00 0.00 H new ATOM 418 N GLU A 31 -3.629 2.000 5.370 1.00 0.00 N ATOM 419 CA GLU A 31 -4.437 0.896 5.875 1.00 0.00 C ATOM 420 C GLU A 31 -5.585 0.590 4.917 1.00 0.00 C ATOM 421 O GLU A 31 -6.153 -0.501 4.942 1.00 0.00 O ATOM 422 CB GLU A 31 -5.000 1.250 7.253 1.00 0.00 C ATOM 423 CG GLU A 31 -3.849 1.421 8.246 1.00 0.00 C ATOM 424 CD GLU A 31 -4.400 1.715 9.637 1.00 0.00 C ATOM 425 OE1 GLU A 31 -5.595 1.929 9.746 1.00 0.00 O ATOM 426 OE2 GLU A 31 -3.617 1.720 10.572 1.00 0.00 O ATOM 0 H GLU A 31 -3.726 2.871 5.891 1.00 0.00 H new ATOM 0 HA GLU A 31 -3.803 0.013 5.957 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -5.583 2.169 7.194 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -5.675 0.465 7.594 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -3.241 0.516 8.270 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -3.198 2.234 7.924 1.00 0.00 H new ATOM 433 N LYS A 32 -5.920 1.562 4.073 1.00 0.00 N ATOM 434 CA LYS A 32 -7.004 1.386 3.115 1.00 0.00 C ATOM 435 C LYS A 32 -6.579 0.446 1.991 1.00 0.00 C ATOM 436 O LYS A 32 -5.391 0.311 1.699 1.00 0.00 O ATOM 437 CB LYS A 32 -7.405 2.741 2.526 1.00 0.00 C ATOM 438 CG LYS A 32 -7.749 3.709 3.659 1.00 0.00 C ATOM 439 CD LYS A 32 -9.030 3.245 4.357 1.00 0.00 C ATOM 440 CE LYS A 32 -9.620 4.403 5.164 1.00 0.00 C ATOM 441 NZ LYS A 32 -10.214 5.403 4.233 1.00 0.00 N ATOM 0 H LYS A 32 -5.460 2.472 4.034 1.00 0.00 H new ATOM 0 HA LYS A 32 -7.856 0.949 3.635 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -6.590 3.143 1.925 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -8.262 2.622 1.863 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -6.928 3.754 4.375 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -7.882 4.716 3.263 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -9.753 2.896 3.619 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -8.814 2.403 5.014 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -10.381 4.032 5.850 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -8.844 4.870 5.771 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -10.954 5.941 4.727 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -9.473 6.055 3.905 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -10.630 4.912 3.416 1.00 0.00 H new ATOM 455 N ASP A 33 -7.557 -0.199 1.365 1.00 0.00 N ATOM 456 CA ASP A 33 -7.272 -1.120 0.271 1.00 0.00 C ATOM 457 C ASP A 33 -6.231 -2.151 0.696 1.00 0.00 C ATOM 458 O ASP A 33 -5.875 -2.240 1.871 1.00 0.00 O ATOM 459 CB ASP A 33 -6.758 -0.345 -0.944 1.00 0.00 C ATOM 460 CG ASP A 33 -7.835 0.614 -1.444 1.00 0.00 C ATOM 461 OD1 ASP A 33 -8.965 0.179 -1.589 1.00 0.00 O ATOM 462 OD2 ASP A 33 -7.512 1.767 -1.673 1.00 0.00 O ATOM 0 H ASP A 33 -8.546 -0.103 1.594 1.00 0.00 H new ATOM 0 HA ASP A 33 -8.194 -1.638 0.008 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -5.859 0.211 -0.678 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -6.480 -1.039 -1.737 1.00 0.00 H new ATOM 467 N ASN A 34 -5.747 -2.929 -0.267 1.00 0.00 N ATOM 468 CA ASN A 34 -4.753 -3.956 0.022 1.00 0.00 C ATOM 469 C ASN A 34 -3.566 -3.357 0.772 1.00 0.00 C ATOM 470 O ASN A 34 -2.991 -3.994 1.653 1.00 0.00 O ATOM 471 CB ASN A 34 -4.265 -4.592 -1.281 1.00 0.00 C ATOM 472 CG ASN A 34 -3.434 -5.834 -0.976 1.00 0.00 C ATOM 473 OD1 ASN A 34 -2.209 -5.807 -1.098 1.00 0.00 O ATOM 474 ND2 ASN A 34 -4.030 -6.926 -0.584 1.00 0.00 N ATOM 0 H ASN A 34 -6.024 -2.869 -1.247 1.00 0.00 H new ATOM 0 HA ASN A 34 -5.218 -4.718 0.647 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -5.117 -4.859 -1.906 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -3.668 -3.875 -1.844 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -3.481 -7.761 -0.378 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -5.045 -6.945 -0.484 1.00 0.00 H new ATOM 481 N GLY A 35 -3.207 -2.127 0.416 1.00 0.00 N ATOM 482 CA GLY A 35 -2.087 -1.452 1.063 1.00 0.00 C ATOM 483 C GLY A 35 -1.599 -0.280 0.220 1.00 0.00 C ATOM 484 O GLY A 35 -0.964 0.643 0.731 1.00 0.00 O ATOM 0 H GLY A 35 -3.671 -1.581 -0.310 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -2.391 -1.096 2.047 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -1.272 -2.158 1.218 1.00 0.00 H new ATOM 488 N LEU A 36 -1.901 -0.322 -1.074 1.00 0.00 N ATOM 489 CA LEU A 36 -1.490 0.746 -1.979 1.00 0.00 C ATOM 490 C LEU A 36 0.030 0.871 -2.005 1.00 0.00 C ATOM 491 O LEU A 36 0.684 0.416 -2.943 1.00 0.00 O ATOM 492 CB LEU A 36 -2.106 2.073 -1.535 1.00 0.00 C ATOM 493 CG LEU A 36 -3.601 1.880 -1.274 1.00 0.00 C ATOM 494 CD1 LEU A 36 -4.226 3.217 -0.873 1.00 0.00 C ATOM 495 CD2 LEU A 36 -4.277 1.362 -2.545 1.00 0.00 C ATOM 0 H LEU A 36 -2.424 -1.077 -1.517 1.00 0.00 H new ATOM 0 HA LEU A 36 -1.840 0.502 -2.982 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -1.612 2.431 -0.632 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -1.955 2.831 -2.303 1.00 0.00 H new ATOM 0 HG LEU A 36 -3.739 1.159 -0.468 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -5.291 3.079 -0.687 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -3.744 3.587 0.032 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -4.088 3.939 -1.678 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -5.342 1.224 -2.360 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -4.139 2.083 -3.350 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -3.832 0.409 -2.831 1.00 0.00 H new ATOM 507 N LEU A 37 0.586 1.493 -0.970 1.00 0.00 N ATOM 508 CA LEU A 37 2.032 1.673 -0.887 1.00 0.00 C ATOM 509 C LEU A 37 2.636 0.709 0.129 1.00 0.00 C ATOM 510 O LEU A 37 2.160 0.604 1.260 1.00 0.00 O ATOM 511 CB LEU A 37 2.357 3.112 -0.481 1.00 0.00 C ATOM 512 CG LEU A 37 3.874 3.313 -0.484 1.00 0.00 C ATOM 513 CD1 LEU A 37 4.351 3.579 -1.912 1.00 0.00 C ATOM 514 CD2 LEU A 37 4.232 4.508 0.402 1.00 0.00 C ATOM 0 H LEU A 37 0.063 1.878 -0.183 1.00 0.00 H new ATOM 0 HA LEU A 37 2.461 1.465 -1.867 1.00 0.00 H new ATOM 0 HB2 LEU A 37 1.885 3.811 -1.172 1.00 0.00 H new ATOM 0 HB3 LEU A 37 1.954 3.322 0.510 1.00 0.00 H new ATOM 0 HG LEU A 37 4.359 2.416 -0.099 1.00 0.00 H new ATOM 0 HD11 LEU A 37 5.432 3.722 -1.914 1.00 0.00 H new ATOM 0 HD12 LEU A 37 4.096 2.729 -2.545 1.00 0.00 H new ATOM 0 HD13 LEU A 37 3.866 4.476 -2.297 1.00 0.00 H new ATOM 0 HD21 LEU A 37 5.313 4.652 0.400 1.00 0.00 H new ATOM 0 HD22 LEU A 37 3.746 5.405 0.017 1.00 0.00 H new ATOM 0 HD23 LEU A 37 3.893 4.320 1.421 1.00 0.00 H new ATOM 526 N PHE A 38 3.686 0.007 -0.283 1.00 0.00 N ATOM 527 CA PHE A 38 4.354 -0.940 0.603 1.00 0.00 C ATOM 528 C PHE A 38 5.718 -0.404 1.027 1.00 0.00 C ATOM 529 O PHE A 38 6.567 -0.106 0.187 1.00 0.00 O ATOM 530 CB PHE A 38 4.530 -2.284 -0.107 1.00 0.00 C ATOM 531 CG PHE A 38 3.174 -2.882 -0.393 1.00 0.00 C ATOM 532 CD1 PHE A 38 2.545 -3.685 0.566 1.00 0.00 C ATOM 533 CD2 PHE A 38 2.543 -2.634 -1.619 1.00 0.00 C ATOM 534 CE1 PHE A 38 1.288 -4.239 0.301 1.00 0.00 C ATOM 535 CE2 PHE A 38 1.285 -3.188 -1.885 1.00 0.00 C ATOM 536 CZ PHE A 38 0.658 -3.990 -0.925 1.00 0.00 C ATOM 0 H PHE A 38 4.091 0.074 -1.217 1.00 0.00 H new ATOM 0 HA PHE A 38 3.737 -1.077 1.491 1.00 0.00 H new ATOM 0 HB2 PHE A 38 5.082 -2.147 -1.037 1.00 0.00 H new ATOM 0 HB3 PHE A 38 5.115 -2.962 0.514 1.00 0.00 H new ATOM 0 HD1 PHE A 38 3.031 -3.877 1.511 1.00 0.00 H new ATOM 0 HD2 PHE A 38 3.027 -2.015 -2.360 1.00 0.00 H new ATOM 0 HE1 PHE A 38 0.804 -4.858 1.041 1.00 0.00 H new ATOM 0 HE2 PHE A 38 0.799 -2.997 -2.830 1.00 0.00 H new ATOM 0 HZ PHE A 38 -0.313 -4.417 -1.130 1.00 0.00 H new ATOM 546 N ARG A 39 5.921 -0.285 2.335 1.00 0.00 N ATOM 547 CA ARG A 39 7.189 0.210 2.858 1.00 0.00 C ATOM 548 C ARG A 39 8.248 -0.887 2.826 1.00 0.00 C ATOM 549 O ARG A 39 8.199 -1.834 3.613 1.00 0.00 O ATOM 550 CB ARG A 39 7.004 0.702 4.295 1.00 0.00 C ATOM 551 CG ARG A 39 8.313 1.318 4.795 1.00 0.00 C ATOM 552 CD ARG A 39 8.057 2.068 6.103 1.00 0.00 C ATOM 553 NE ARG A 39 7.496 1.165 7.101 1.00 0.00 N ATOM 554 CZ ARG A 39 8.281 0.395 7.850 1.00 0.00 C ATOM 555 NH1 ARG A 39 9.576 0.441 7.697 1.00 0.00 N ATOM 556 NH2 ARG A 39 7.756 -0.405 8.736 1.00 0.00 N ATOM 0 H ARG A 39 5.230 -0.522 3.047 1.00 0.00 H new ATOM 0 HA ARG A 39 7.521 1.037 2.230 1.00 0.00 H new ATOM 0 HB2 ARG A 39 6.203 1.440 4.338 1.00 0.00 H new ATOM 0 HB3 ARG A 39 6.710 -0.126 4.939 1.00 0.00 H new ATOM 0 HG2 ARG A 39 9.058 0.538 4.951 1.00 0.00 H new ATOM 0 HG3 ARG A 39 8.716 1.999 4.046 1.00 0.00 H new ATOM 0 HD2 ARG A 39 8.988 2.497 6.473 1.00 0.00 H new ATOM 0 HD3 ARG A 39 7.372 2.897 5.927 1.00 0.00 H new ATOM 0 HE ARG A 39 6.485 1.123 7.227 1.00 0.00 H new ATOM 0 HH11 ARG A 39 9.986 1.067 7.004 1.00 0.00 H new ATOM 0 HH12 ARG A 39 10.179 -0.149 8.271 1.00 0.00 H new ATOM 0 HH21 ARG A 39 6.744 -0.440 8.855 1.00 0.00 H new ATOM 0 HH22 ARG A 39 8.358 -0.995 9.310 1.00 0.00 H new ATOM 570 N ILE A 40 9.205 -0.752 1.914 1.00 0.00 N ATOM 571 CA ILE A 40 10.264 -1.746 1.777 1.00 0.00 C ATOM 572 C ILE A 40 11.513 -1.301 2.531 1.00 0.00 C ATOM 573 O ILE A 40 11.958 -0.162 2.397 1.00 0.00 O ATOM 574 CB ILE A 40 10.602 -1.949 0.300 1.00 0.00 C ATOM 575 CG1 ILE A 40 9.320 -2.255 -0.479 1.00 0.00 C ATOM 576 CG2 ILE A 40 11.576 -3.118 0.154 1.00 0.00 C ATOM 577 CD1 ILE A 40 9.637 -2.339 -1.973 1.00 0.00 C ATOM 0 H ILE A 40 9.270 0.030 1.263 1.00 0.00 H new ATOM 0 HA ILE A 40 9.912 -2.687 2.200 1.00 0.00 H new ATOM 0 HB ILE A 40 11.061 -1.042 -0.094 1.00 0.00 H new ATOM 0 HG12 ILE A 40 8.889 -3.195 -0.135 1.00 0.00 H new ATOM 0 HG13 ILE A 40 8.577 -1.478 -0.297 1.00 0.00 H new ATOM 0 HG21 ILE A 40 11.816 -3.262 -0.899 1.00 0.00 H new ATOM 0 HG22 ILE A 40 12.489 -2.902 0.708 1.00 0.00 H new ATOM 0 HG23 ILE A 40 11.118 -4.025 0.549 1.00 0.00 H new ATOM 0 HD11 ILE A 40 8.724 -2.557 -2.527 1.00 0.00 H new ATOM 0 HD12 ILE A 40 10.049 -1.388 -2.312 1.00 0.00 H new ATOM 0 HD13 ILE A 40 10.365 -3.132 -2.147 1.00 0.00 H new ATOM 589 N VAL A 41 12.074 -2.209 3.323 1.00 0.00 N ATOM 590 CA VAL A 41 13.269 -1.897 4.098 1.00 0.00 C ATOM 591 C VAL A 41 14.259 -3.056 4.048 1.00 0.00 C ATOM 592 O VAL A 41 13.897 -4.206 4.300 1.00 0.00 O ATOM 593 CB VAL A 41 12.890 -1.610 5.552 1.00 0.00 C ATOM 594 CG1 VAL A 41 14.141 -1.215 6.339 1.00 0.00 C ATOM 595 CG2 VAL A 41 11.878 -0.463 5.596 1.00 0.00 C ATOM 0 H VAL A 41 11.724 -3.159 3.445 1.00 0.00 H new ATOM 0 HA VAL A 41 13.739 -1.014 3.664 1.00 0.00 H new ATOM 0 HB VAL A 41 12.450 -2.503 5.996 1.00 0.00 H new ATOM 0 HG11 VAL A 41 13.870 -1.011 7.375 1.00 0.00 H new ATOM 0 HG12 VAL A 41 14.863 -2.031 6.307 1.00 0.00 H new ATOM 0 HG13 VAL A 41 14.582 -0.322 5.897 1.00 0.00 H new ATOM 0 HG21 VAL A 41 11.607 -0.257 6.631 1.00 0.00 H new ATOM 0 HG22 VAL A 41 12.320 0.429 5.152 1.00 0.00 H new ATOM 0 HG23 VAL A 41 10.986 -0.743 5.036 1.00 0.00 H new ATOM 605 N ASN A 42 15.509 -2.747 3.720 1.00 0.00 N ATOM 606 CA ASN A 42 16.548 -3.768 3.658 1.00 0.00 C ATOM 607 C ASN A 42 17.487 -3.650 4.854 1.00 0.00 C ATOM 608 O ASN A 42 18.366 -2.790 4.885 1.00 0.00 O ATOM 609 CB ASN A 42 17.348 -3.620 2.362 1.00 0.00 C ATOM 610 CG ASN A 42 18.014 -4.945 2.006 1.00 0.00 C ATOM 611 OD1 ASN A 42 19.155 -4.963 1.542 1.00 0.00 O ATOM 612 ND2 ASN A 42 17.367 -6.062 2.197 1.00 0.00 N ATOM 0 H ASN A 42 15.826 -1.804 3.494 1.00 0.00 H new ATOM 0 HA ASN A 42 16.071 -4.748 3.681 1.00 0.00 H new ATOM 0 HB2 ASN A 42 16.689 -3.305 1.552 1.00 0.00 H new ATOM 0 HB3 ASN A 42 18.104 -2.843 2.478 1.00 0.00 H new ATOM 0 HD21 ASN A 42 17.806 -6.952 1.962 1.00 0.00 H new ATOM 0 HD22 ASN A 42 16.422 -6.045 2.581 1.00 0.00 H new ATOM 619 N LYS A 43 17.294 -4.522 5.839 1.00 0.00 N ATOM 620 CA LYS A 43 18.109 -4.488 7.049 1.00 0.00 C ATOM 621 C LYS A 43 19.593 -4.502 6.698 1.00 0.00 C ATOM 622 O LYS A 43 20.411 -3.902 7.395 1.00 0.00 O ATOM 623 CB LYS A 43 17.779 -5.692 7.933 1.00 0.00 C ATOM 624 CG LYS A 43 16.318 -5.614 8.379 1.00 0.00 C ATOM 625 CD LYS A 43 15.997 -6.803 9.286 1.00 0.00 C ATOM 626 CE LYS A 43 16.805 -6.691 10.579 1.00 0.00 C ATOM 627 NZ LYS A 43 16.078 -7.383 11.681 1.00 0.00 N ATOM 0 H LYS A 43 16.586 -5.256 5.824 1.00 0.00 H new ATOM 0 HA LYS A 43 17.886 -3.568 7.589 1.00 0.00 H new ATOM 0 HB2 LYS A 43 17.954 -6.618 7.385 1.00 0.00 H new ATOM 0 HB3 LYS A 43 18.435 -5.708 8.803 1.00 0.00 H new ATOM 0 HG2 LYS A 43 16.138 -4.679 8.910 1.00 0.00 H new ATOM 0 HG3 LYS A 43 15.661 -5.618 7.510 1.00 0.00 H new ATOM 0 HD2 LYS A 43 14.931 -6.824 9.512 1.00 0.00 H new ATOM 0 HD3 LYS A 43 16.234 -7.737 8.776 1.00 0.00 H new ATOM 0 HE2 LYS A 43 17.791 -7.136 10.444 1.00 0.00 H new ATOM 0 HE3 LYS A 43 16.960 -5.643 10.834 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 16.627 -7.307 12.561 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 15.147 -6.939 11.815 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 15.952 -8.386 11.437 1.00 0.00 H new ATOM 641 N LYS A 44 19.934 -5.194 5.616 1.00 0.00 N ATOM 642 CA LYS A 44 21.325 -5.281 5.186 1.00 0.00 C ATOM 643 C LYS A 44 21.961 -3.896 5.136 1.00 0.00 C ATOM 644 O LYS A 44 22.812 -3.563 5.961 1.00 0.00 O ATOM 645 CB LYS A 44 21.404 -5.931 3.803 1.00 0.00 C ATOM 646 CG LYS A 44 20.928 -7.382 3.892 1.00 0.00 C ATOM 647 CD LYS A 44 20.678 -7.926 2.485 1.00 0.00 C ATOM 648 CE LYS A 44 21.932 -7.733 1.632 1.00 0.00 C ATOM 649 NZ LYS A 44 23.138 -8.087 2.433 1.00 0.00 N ATOM 0 H LYS A 44 19.273 -5.699 5.025 1.00 0.00 H new ATOM 0 HA LYS A 44 21.870 -5.891 5.907 1.00 0.00 H new ATOM 0 HB2 LYS A 44 20.788 -5.378 3.094 1.00 0.00 H new ATOM 0 HB3 LYS A 44 22.428 -5.895 3.431 1.00 0.00 H new ATOM 0 HG2 LYS A 44 21.676 -7.990 4.401 1.00 0.00 H new ATOM 0 HG3 LYS A 44 20.014 -7.440 4.483 1.00 0.00 H new ATOM 0 HD2 LYS A 44 20.418 -8.983 2.534 1.00 0.00 H new ATOM 0 HD3 LYS A 44 19.833 -7.410 2.029 1.00 0.00 H new ATOM 0 HE2 LYS A 44 21.878 -8.358 0.741 1.00 0.00 H new ATOM 0 HE3 LYS A 44 21.998 -6.699 1.293 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 23.929 -8.302 1.793 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 23.396 -7.286 3.045 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 22.932 -8.920 3.021 1.00 0.00 H new ATOM 663 N LYS A 45 21.542 -3.092 4.164 1.00 0.00 N ATOM 664 CA LYS A 45 22.073 -1.741 4.021 1.00 0.00 C ATOM 665 C LYS A 45 21.197 -0.738 4.764 1.00 0.00 C ATOM 666 O LYS A 45 21.523 0.446 4.843 1.00 0.00 O ATOM 667 CB LYS A 45 22.143 -1.364 2.540 1.00 0.00 C ATOM 668 CG LYS A 45 23.148 -2.274 1.830 1.00 0.00 C ATOM 669 CD LYS A 45 23.330 -1.807 0.384 1.00 0.00 C ATOM 670 CE LYS A 45 24.262 -2.772 -0.351 1.00 0.00 C ATOM 671 NZ LYS A 45 24.647 -2.186 -1.666 1.00 0.00 N ATOM 0 H LYS A 45 20.842 -3.350 3.469 1.00 0.00 H new ATOM 0 HA LYS A 45 23.075 -1.716 4.450 1.00 0.00 H new ATOM 0 HB2 LYS A 45 21.159 -1.463 2.081 1.00 0.00 H new ATOM 0 HB3 LYS A 45 22.441 -0.321 2.433 1.00 0.00 H new ATOM 0 HG2 LYS A 45 24.104 -2.254 2.352 1.00 0.00 H new ATOM 0 HG3 LYS A 45 22.796 -3.306 1.848 1.00 0.00 H new ATOM 0 HD2 LYS A 45 22.364 -1.763 -0.119 1.00 0.00 H new ATOM 0 HD3 LYS A 45 23.745 -0.799 0.366 1.00 0.00 H new ATOM 0 HE2 LYS A 45 25.152 -2.963 0.249 1.00 0.00 H new ATOM 0 HE3 LYS A 45 23.766 -3.731 -0.499 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 25.281 -2.842 -2.166 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 23.793 -2.026 -2.238 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 25.136 -1.281 -1.513 1.00 0.00 H new ATOM 685 N LYS A 46 20.085 -1.221 5.309 1.00 0.00 N ATOM 686 CA LYS A 46 19.168 -0.356 6.043 1.00 0.00 C ATOM 687 C LYS A 46 18.705 0.806 5.168 1.00 0.00 C ATOM 688 O LYS A 46 18.553 1.930 5.645 1.00 0.00 O ATOM 689 CB LYS A 46 19.854 0.189 7.297 1.00 0.00 C ATOM 690 CG LYS A 46 19.656 -0.791 8.454 1.00 0.00 C ATOM 691 CD LYS A 46 18.526 -0.294 9.358 1.00 0.00 C ATOM 692 CE LYS A 46 17.185 -0.478 8.645 1.00 0.00 C ATOM 693 NZ LYS A 46 16.074 -0.284 9.620 1.00 0.00 N ATOM 0 H LYS A 46 19.799 -2.199 5.257 1.00 0.00 H new ATOM 0 HA LYS A 46 18.298 -0.946 6.332 1.00 0.00 H new ATOM 0 HB2 LYS A 46 20.918 0.335 7.108 1.00 0.00 H new ATOM 0 HB3 LYS A 46 19.440 1.163 7.557 1.00 0.00 H new ATOM 0 HG2 LYS A 46 19.418 -1.782 8.068 1.00 0.00 H new ATOM 0 HG3 LYS A 46 20.579 -0.885 9.026 1.00 0.00 H new ATOM 0 HD2 LYS A 46 18.529 -0.845 10.298 1.00 0.00 H new ATOM 0 HD3 LYS A 46 18.678 0.757 9.604 1.00 0.00 H new ATOM 0 HE2 LYS A 46 17.095 0.237 7.827 1.00 0.00 H new ATOM 0 HE3 LYS A 46 17.128 -1.474 8.206 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 15.162 -0.409 9.136 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 16.158 -0.983 10.386 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 16.126 0.675 10.019 1.00 0.00 H new ATOM 707 N GLN A 47 18.482 0.527 3.888 1.00 0.00 N ATOM 708 CA GLN A 47 18.018 1.555 2.964 1.00 0.00 C ATOM 709 C GLN A 47 16.514 1.431 2.739 1.00 0.00 C ATOM 710 O GLN A 47 16.022 0.374 2.343 1.00 0.00 O ATOM 711 CB GLN A 47 18.749 1.429 1.627 1.00 0.00 C ATOM 712 CG GLN A 47 18.505 0.037 1.039 1.00 0.00 C ATOM 713 CD GLN A 47 19.525 -0.250 -0.058 1.00 0.00 C ATOM 714 OE1 GLN A 47 20.321 0.702 -0.462 1.00 0.00 O flip ATOM 715 NE2 GLN A 47 19.598 -1.371 -0.561 1.00 0.00 N flip ATOM 0 H GLN A 47 18.614 -0.394 3.470 1.00 0.00 H new ATOM 0 HA GLN A 47 18.231 2.531 3.400 1.00 0.00 H new ATOM 0 HB2 GLN A 47 18.397 2.194 0.935 1.00 0.00 H new ATOM 0 HB3 GLN A 47 19.817 1.593 1.768 1.00 0.00 H new ATOM 0 HG2 GLN A 47 18.580 -0.717 1.823 1.00 0.00 H new ATOM 0 HG3 GLN A 47 17.495 -0.024 0.633 1.00 0.00 H new ATOM 0 HE21 GLN A 47 18.975 -2.114 -0.244 1.00 0.00 H new ATOM 0 HE22 GLN A 47 20.281 -1.557 -1.295 1.00 0.00 H new ATOM 724 N TRP A 48 15.791 2.515 2.995 1.00 0.00 N ATOM 725 CA TRP A 48 14.342 2.511 2.828 1.00 0.00 C ATOM 726 C TRP A 48 13.969 2.721 1.364 1.00 0.00 C ATOM 727 O TRP A 48 14.658 3.431 0.632 1.00 0.00 O ATOM 728 CB TRP A 48 13.715 3.617 3.681 1.00 0.00 C ATOM 729 CG TRP A 48 13.764 3.227 5.123 1.00 0.00 C ATOM 730 CD1 TRP A 48 14.595 2.299 5.650 1.00 0.00 C ATOM 731 CD2 TRP A 48 12.965 3.736 6.230 1.00 0.00 C ATOM 732 NE1 TRP A 48 14.357 2.206 7.010 1.00 0.00 N ATOM 733 CE2 TRP A 48 13.361 3.071 7.415 1.00 0.00 C ATOM 734 CE3 TRP A 48 11.944 4.700 6.319 1.00 0.00 C ATOM 735 CZ2 TRP A 48 12.765 3.354 8.645 1.00 0.00 C ATOM 736 CZ3 TRP A 48 11.344 4.987 7.557 1.00 0.00 C ATOM 737 CH2 TRP A 48 11.754 4.315 8.716 1.00 0.00 C ATOM 0 H TRP A 48 16.180 3.401 3.316 1.00 0.00 H new ATOM 0 HA TRP A 48 13.961 1.542 3.152 1.00 0.00 H new ATOM 0 HB2 TRP A 48 14.250 4.555 3.529 1.00 0.00 H new ATOM 0 HB3 TRP A 48 12.683 3.786 3.374 1.00 0.00 H new ATOM 0 HD1 TRP A 48 15.325 1.724 5.099 1.00 0.00 H new ATOM 0 HE1 TRP A 48 14.857 1.575 7.637 1.00 0.00 H new ATOM 0 HE3 TRP A 48 11.620 5.222 5.431 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 13.084 2.833 9.536 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 10.562 5.730 7.615 1.00 0.00 H new ATOM 0 HH2 TRP A 48 11.288 4.540 9.664 1.00 0.00 H new ATOM 748 N ALA A 49 12.870 2.099 0.946 1.00 0.00 N ATOM 749 CA ALA A 49 12.405 2.231 -0.431 1.00 0.00 C ATOM 750 C ALA A 49 10.883 2.166 -0.487 1.00 0.00 C ATOM 751 O ALA A 49 10.254 1.442 0.287 1.00 0.00 O ATOM 752 CB ALA A 49 12.998 1.115 -1.293 1.00 0.00 C ATOM 0 H ALA A 49 12.289 1.503 1.536 1.00 0.00 H new ATOM 0 HA ALA A 49 12.732 3.197 -0.815 1.00 0.00 H new ATOM 0 HB1 ALA A 49 12.646 1.221 -2.319 1.00 0.00 H new ATOM 0 HB2 ALA A 49 14.086 1.180 -1.274 1.00 0.00 H new ATOM 0 HB3 ALA A 49 12.686 0.147 -0.901 1.00 0.00 H new ATOM 758 N TYR A 50 10.293 2.926 -1.403 1.00 0.00 N ATOM 759 CA TYR A 50 8.841 2.945 -1.544 1.00 0.00 C ATOM 760 C TYR A 50 8.433 2.601 -2.972 1.00 0.00 C ATOM 761 O TYR A 50 9.030 3.085 -3.934 1.00 0.00 O ATOM 762 CB TYR A 50 8.299 4.327 -1.176 1.00 0.00 C ATOM 763 CG TYR A 50 8.462 4.551 0.308 1.00 0.00 C ATOM 764 CD1 TYR A 50 7.615 3.896 1.209 1.00 0.00 C ATOM 765 CD2 TYR A 50 9.459 5.411 0.782 1.00 0.00 C ATOM 766 CE1 TYR A 50 7.765 4.102 2.586 1.00 0.00 C ATOM 767 CE2 TYR A 50 9.610 5.617 2.158 1.00 0.00 C ATOM 768 CZ TYR A 50 8.763 4.963 3.060 1.00 0.00 C ATOM 769 OH TYR A 50 8.912 5.165 4.417 1.00 0.00 O ATOM 0 H TYR A 50 10.792 3.532 -2.054 1.00 0.00 H new ATOM 0 HA TYR A 50 8.422 2.198 -0.870 1.00 0.00 H new ATOM 0 HB2 TYR A 50 8.832 5.098 -1.732 1.00 0.00 H new ATOM 0 HB3 TYR A 50 7.248 4.403 -1.453 1.00 0.00 H new ATOM 0 HD1 TYR A 50 6.846 3.232 0.843 1.00 0.00 H new ATOM 0 HD2 TYR A 50 10.112 5.916 0.086 1.00 0.00 H new ATOM 0 HE1 TYR A 50 7.112 3.597 3.282 1.00 0.00 H new ATOM 0 HE2 TYR A 50 10.380 6.280 2.524 1.00 0.00 H new ATOM 0 HH TYR A 50 9.812 4.890 4.692 1.00 0.00 H new ATOM 779 N TYR A 51 7.411 1.761 -3.102 1.00 0.00 N ATOM 780 CA TYR A 51 6.924 1.360 -4.416 1.00 0.00 C ATOM 781 C TYR A 51 5.444 1.701 -4.563 1.00 0.00 C ATOM 782 O TYR A 51 4.614 1.265 -3.765 1.00 0.00 O ATOM 783 CB TYR A 51 7.125 -0.145 -4.609 1.00 0.00 C ATOM 784 CG TYR A 51 6.264 -0.627 -5.752 1.00 0.00 C ATOM 785 CD1 TYR A 51 6.561 -0.239 -7.064 1.00 0.00 C ATOM 786 CD2 TYR A 51 5.169 -1.461 -5.500 1.00 0.00 C ATOM 787 CE1 TYR A 51 5.763 -0.686 -8.124 1.00 0.00 C ATOM 788 CE2 TYR A 51 4.370 -1.908 -6.559 1.00 0.00 C ATOM 789 CZ TYR A 51 4.667 -1.520 -7.872 1.00 0.00 C ATOM 790 OH TYR A 51 3.880 -1.960 -8.916 1.00 0.00 O ATOM 0 H TYR A 51 6.907 1.347 -2.318 1.00 0.00 H new ATOM 0 HA TYR A 51 7.488 1.902 -5.175 1.00 0.00 H new ATOM 0 HB2 TYR A 51 8.174 -0.359 -4.815 1.00 0.00 H new ATOM 0 HB3 TYR A 51 6.865 -0.677 -3.694 1.00 0.00 H new ATOM 0 HD1 TYR A 51 7.406 0.405 -7.258 1.00 0.00 H new ATOM 0 HD2 TYR A 51 4.940 -1.760 -4.488 1.00 0.00 H new ATOM 0 HE1 TYR A 51 5.993 -0.387 -9.136 1.00 0.00 H new ATOM 0 HE2 TYR A 51 3.525 -2.552 -6.364 1.00 0.00 H new ATOM 0 HH TYR A 51 3.571 -2.871 -8.731 1.00 0.00 H new ATOM 800 N ASN A 52 5.121 2.483 -5.588 1.00 0.00 N ATOM 801 CA ASN A 52 3.739 2.885 -5.823 1.00 0.00 C ATOM 802 C ASN A 52 3.043 1.904 -6.762 1.00 0.00 C ATOM 803 O ASN A 52 3.523 1.637 -7.863 1.00 0.00 O ATOM 804 CB ASN A 52 3.698 4.288 -6.429 1.00 0.00 C ATOM 805 CG ASN A 52 2.257 4.682 -6.736 1.00 0.00 C ATOM 806 OD1 ASN A 52 1.337 3.894 -6.516 1.00 0.00 O ATOM 807 ND2 ASN A 52 2.004 5.861 -7.234 1.00 0.00 N ATOM 0 H ASN A 52 5.791 2.848 -6.264 1.00 0.00 H new ATOM 0 HA ASN A 52 3.216 2.886 -4.866 1.00 0.00 H new ATOM 0 HB2 ASN A 52 4.140 5.005 -5.737 1.00 0.00 H new ATOM 0 HB3 ASN A 52 4.294 4.316 -7.341 1.00 0.00 H new ATOM 0 HD21 ASN A 52 1.043 6.131 -7.442 1.00 0.00 H new ATOM 0 HD22 ASN A 52 2.768 6.512 -7.416 1.00 0.00 H new ATOM 814 N ASP A 53 1.909 1.372 -6.318 1.00 0.00 N ATOM 815 CA ASP A 53 1.151 0.427 -7.129 1.00 0.00 C ATOM 816 C ASP A 53 -0.009 1.132 -7.824 1.00 0.00 C ATOM 817 O ASP A 53 -0.355 0.807 -8.961 1.00 0.00 O ATOM 818 CB ASP A 53 0.611 -0.702 -6.248 1.00 0.00 C ATOM 819 CG ASP A 53 -0.409 -0.149 -5.258 1.00 0.00 C ATOM 820 OD1 ASP A 53 -0.355 1.039 -4.985 1.00 0.00 O ATOM 821 OD2 ASP A 53 -1.228 -0.921 -4.790 1.00 0.00 O ATOM 0 H ASP A 53 1.497 1.577 -5.408 1.00 0.00 H new ATOM 0 HA ASP A 53 1.815 0.010 -7.886 1.00 0.00 H new ATOM 0 HB2 ASP A 53 0.148 -1.469 -6.869 1.00 0.00 H new ATOM 0 HB3 ASP A 53 1.431 -1.178 -5.710 1.00 0.00 H new ATOM 826 N THR A 54 -0.605 2.099 -7.135 1.00 0.00 N ATOM 827 CA THR A 54 -1.726 2.846 -7.697 1.00 0.00 C ATOM 828 C THR A 54 -1.319 3.523 -9.000 1.00 0.00 C ATOM 829 O THR A 54 -0.369 4.305 -9.035 1.00 0.00 O ATOM 830 CB THR A 54 -2.203 3.903 -6.697 1.00 0.00 C ATOM 831 OG1 THR A 54 -1.077 4.578 -6.153 1.00 0.00 O ATOM 832 CG2 THR A 54 -2.988 3.226 -5.573 1.00 0.00 C ATOM 0 H THR A 54 -0.334 2.383 -6.194 1.00 0.00 H new ATOM 0 HA THR A 54 -2.537 2.148 -7.902 1.00 0.00 H new ATOM 0 HB THR A 54 -2.847 4.621 -7.204 1.00 0.00 H new ATOM 0 HG1 THR A 54 -0.281 4.369 -6.686 1.00 0.00 H new ATOM 0 HG21 THR A 54 -3.327 3.979 -4.862 1.00 0.00 H new ATOM 0 HG22 THR A 54 -3.851 2.708 -5.992 1.00 0.00 H new ATOM 0 HG23 THR A 54 -2.346 2.508 -5.063 1.00 0.00 H new ATOM 840 N THR A 55 -2.042 3.217 -10.072 1.00 0.00 N ATOM 841 CA THR A 55 -1.746 3.802 -11.375 1.00 0.00 C ATOM 842 C THR A 55 -2.630 5.017 -11.632 1.00 0.00 C ATOM 843 O THR A 55 -2.709 5.513 -12.756 1.00 0.00 O ATOM 844 CB THR A 55 -1.971 2.762 -12.476 1.00 0.00 C ATOM 845 OG1 THR A 55 -3.297 2.262 -12.389 1.00 0.00 O ATOM 846 CG2 THR A 55 -0.976 1.613 -12.305 1.00 0.00 C ATOM 0 H THR A 55 -2.832 2.572 -10.065 1.00 0.00 H new ATOM 0 HA THR A 55 -0.703 4.120 -11.381 1.00 0.00 H new ATOM 0 HB THR A 55 -1.822 3.226 -13.451 1.00 0.00 H new ATOM 0 HG1 THR A 55 -3.443 1.597 -13.094 1.00 0.00 H new ATOM 0 HG21 THR A 55 -1.137 0.873 -13.089 1.00 0.00 H new ATOM 0 HG22 THR A 55 0.041 1.999 -12.373 1.00 0.00 H new ATOM 0 HG23 THR A 55 -1.122 1.147 -11.331 1.00 0.00 H new ATOM 854 N GLN A 56 -3.294 5.493 -10.584 1.00 0.00 N ATOM 855 CA GLN A 56 -4.170 6.654 -10.709 1.00 0.00 C ATOM 856 C GLN A 56 -3.764 7.741 -9.721 1.00 0.00 C ATOM 857 O GLN A 56 -4.193 8.889 -9.836 1.00 0.00 O ATOM 858 CB GLN A 56 -5.621 6.243 -10.449 1.00 0.00 C ATOM 859 CG GLN A 56 -5.648 5.023 -9.527 1.00 0.00 C ATOM 860 CD GLN A 56 -5.287 3.767 -10.312 1.00 0.00 C ATOM 861 OE1 GLN A 56 -4.639 2.801 -9.720 1.00 0.00 O flip ATOM 862 NE2 GLN A 56 -5.606 3.663 -11.497 1.00 0.00 N flip ATOM 0 H GLN A 56 -3.244 5.097 -9.645 1.00 0.00 H new ATOM 0 HA GLN A 56 -4.079 7.047 -11.722 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -6.168 7.069 -9.994 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -6.119 6.012 -11.391 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -4.946 5.162 -8.705 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -6.638 4.913 -9.085 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -6.112 4.419 -11.957 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -5.364 2.820 -12.018 1.00 0.00 H new ATOM 871 N TYR A 57 -2.935 7.374 -8.748 1.00 0.00 N ATOM 872 CA TYR A 57 -2.473 8.331 -7.751 1.00 0.00 C ATOM 873 C TYR A 57 -0.997 8.108 -7.435 1.00 0.00 C ATOM 874 O TYR A 57 -0.525 6.972 -7.393 1.00 0.00 O ATOM 875 CB TYR A 57 -3.297 8.187 -6.470 1.00 0.00 C ATOM 876 CG TYR A 57 -4.711 7.791 -6.821 1.00 0.00 C ATOM 877 CD1 TYR A 57 -5.559 8.709 -7.452 1.00 0.00 C ATOM 878 CD2 TYR A 57 -5.174 6.506 -6.516 1.00 0.00 C ATOM 879 CE1 TYR A 57 -6.870 8.342 -7.778 1.00 0.00 C ATOM 880 CE2 TYR A 57 -6.486 6.139 -6.841 1.00 0.00 C ATOM 881 CZ TYR A 57 -7.333 7.057 -7.472 1.00 0.00 C ATOM 882 OH TYR A 57 -8.626 6.695 -7.794 1.00 0.00 O ATOM 0 H TYR A 57 -2.572 6.428 -8.630 1.00 0.00 H new ATOM 0 HA TYR A 57 -2.598 9.336 -8.154 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -2.849 7.436 -5.819 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -3.298 9.127 -5.918 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -5.202 9.701 -7.687 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -4.520 5.797 -6.030 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -7.524 9.050 -8.265 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -6.844 5.148 -6.605 1.00 0.00 H new ATOM 0 HH TYR A 57 -8.786 5.770 -7.514 1.00 0.00 H new ATOM 892 N GLU A 58 -0.273 9.202 -7.215 1.00 0.00 N ATOM 893 CA GLU A 58 1.144 9.115 -6.881 1.00 0.00 C ATOM 894 C GLU A 58 1.334 9.073 -5.368 1.00 0.00 C ATOM 895 O GLU A 58 0.562 9.671 -4.620 1.00 0.00 O ATOM 896 CB GLU A 58 1.891 10.317 -7.460 1.00 0.00 C ATOM 897 CG GLU A 58 1.197 11.608 -7.022 1.00 0.00 C ATOM 898 CD GLU A 58 -0.025 11.866 -7.897 1.00 0.00 C ATOM 899 OE1 GLU A 58 -0.319 11.026 -8.732 1.00 0.00 O ATOM 900 OE2 GLU A 58 -0.648 12.900 -7.721 1.00 0.00 O ATOM 0 H GLU A 58 -0.641 10.152 -7.262 1.00 0.00 H new ATOM 0 HA GLU A 58 1.546 8.198 -7.312 1.00 0.00 H new ATOM 0 HB2 GLU A 58 2.926 10.314 -7.119 1.00 0.00 H new ATOM 0 HB3 GLU A 58 1.914 10.255 -8.548 1.00 0.00 H new ATOM 0 HG2 GLU A 58 0.897 11.533 -5.977 1.00 0.00 H new ATOM 0 HG3 GLU A 58 1.890 12.446 -7.095 1.00 0.00 H new ATOM 907 N MET A 59 2.365 8.362 -4.927 1.00 0.00 N ATOM 908 CA MET A 59 2.641 8.241 -3.500 1.00 0.00 C ATOM 909 C MET A 59 3.667 9.280 -3.058 1.00 0.00 C ATOM 910 O MET A 59 4.793 9.304 -3.553 1.00 0.00 O ATOM 911 CB MET A 59 3.165 6.838 -3.187 1.00 0.00 C ATOM 912 CG MET A 59 1.988 5.872 -3.044 1.00 0.00 C ATOM 913 SD MET A 59 0.724 6.275 -4.275 1.00 0.00 S ATOM 914 CE MET A 59 -0.679 5.522 -3.414 1.00 0.00 C ATOM 0 H MET A 59 3.019 7.864 -5.531 1.00 0.00 H new ATOM 0 HA MET A 59 1.712 8.413 -2.956 1.00 0.00 H new ATOM 0 HB2 MET A 59 3.830 6.501 -3.982 1.00 0.00 H new ATOM 0 HB3 MET A 59 3.750 6.854 -2.267 1.00 0.00 H new ATOM 0 HG2 MET A 59 2.328 4.845 -3.179 1.00 0.00 H new ATOM 0 HG3 MET A 59 1.568 5.940 -2.040 1.00 0.00 H new ATOM 0 HE1 MET A 59 -1.602 5.762 -3.943 1.00 0.00 H new ATOM 0 HE2 MET A 59 -0.549 4.440 -3.383 1.00 0.00 H new ATOM 0 HE3 MET A 59 -0.733 5.910 -2.397 1.00 0.00 H new ATOM 924 N HIS A 60 3.269 10.136 -2.120 1.00 0.00 N ATOM 925 CA HIS A 60 4.167 11.162 -1.605 1.00 0.00 C ATOM 926 C HIS A 60 4.719 10.749 -0.244 1.00 0.00 C ATOM 927 O HIS A 60 3.960 10.482 0.689 1.00 0.00 O ATOM 928 CB HIS A 60 3.423 12.493 -1.476 1.00 0.00 C ATOM 929 CG HIS A 60 3.244 13.101 -2.840 1.00 0.00 C ATOM 930 ND1 HIS A 60 3.863 14.285 -3.208 1.00 0.00 N ATOM 931 CD2 HIS A 60 2.518 12.701 -3.934 1.00 0.00 C ATOM 932 CE1 HIS A 60 3.502 14.553 -4.476 1.00 0.00 C ATOM 933 NE2 HIS A 60 2.682 13.619 -4.966 1.00 0.00 N ATOM 0 H HIS A 60 2.337 10.139 -1.705 1.00 0.00 H new ATOM 0 HA HIS A 60 4.996 11.279 -2.303 1.00 0.00 H new ATOM 0 HB2 HIS A 60 2.452 12.335 -1.006 1.00 0.00 H new ATOM 0 HB3 HIS A 60 3.982 13.173 -0.833 1.00 0.00 H new ATOM 0 HD1 HIS A 60 4.480 14.850 -2.624 1.00 0.00 H new ATOM 0 HD2 HIS A 60 1.911 11.809 -3.986 1.00 0.00 H new ATOM 0 HE1 HIS A 60 3.835 15.418 -5.030 1.00 0.00 H new ATOM 942 N VAL A 61 6.042 10.694 -0.137 1.00 0.00 N ATOM 943 CA VAL A 61 6.680 10.297 1.113 1.00 0.00 C ATOM 944 C VAL A 61 7.223 11.514 1.854 1.00 0.00 C ATOM 945 O VAL A 61 7.984 12.305 1.298 1.00 0.00 O ATOM 946 CB VAL A 61 7.822 9.320 0.827 1.00 0.00 C ATOM 947 CG1 VAL A 61 8.643 9.107 2.099 1.00 0.00 C ATOM 948 CG2 VAL A 61 7.241 7.981 0.366 1.00 0.00 C ATOM 0 H VAL A 61 6.689 10.917 -0.893 1.00 0.00 H new ATOM 0 HA VAL A 61 5.932 9.812 1.740 1.00 0.00 H new ATOM 0 HB VAL A 61 8.463 9.729 0.046 1.00 0.00 H new ATOM 0 HG11 VAL A 61 9.456 8.411 1.895 1.00 0.00 H new ATOM 0 HG12 VAL A 61 9.056 10.060 2.430 1.00 0.00 H new ATOM 0 HG13 VAL A 61 8.003 8.698 2.881 1.00 0.00 H new ATOM 0 HG21 VAL A 61 8.053 7.283 0.162 1.00 0.00 H new ATOM 0 HG22 VAL A 61 6.601 7.574 1.148 1.00 0.00 H new ATOM 0 HG23 VAL A 61 6.655 8.131 -0.541 1.00 0.00 H new ATOM 958 N LEU A 62 6.828 11.654 3.115 1.00 0.00 N ATOM 959 CA LEU A 62 7.290 12.770 3.934 1.00 0.00 C ATOM 960 C LEU A 62 7.548 12.306 5.364 1.00 0.00 C ATOM 961 O LEU A 62 6.647 12.317 6.203 1.00 0.00 O ATOM 962 CB LEU A 62 6.244 13.885 3.938 1.00 0.00 C ATOM 963 CG LEU A 62 6.774 15.079 4.734 1.00 0.00 C ATOM 964 CD1 LEU A 62 7.888 15.766 3.941 1.00 0.00 C ATOM 965 CD2 LEU A 62 5.636 16.073 4.977 1.00 0.00 C ATOM 0 H LEU A 62 6.193 11.013 3.590 1.00 0.00 H new ATOM 0 HA LEU A 62 8.220 13.150 3.510 1.00 0.00 H new ATOM 0 HB2 LEU A 62 6.016 14.188 2.916 1.00 0.00 H new ATOM 0 HB3 LEU A 62 5.314 13.525 4.378 1.00 0.00 H new ATOM 0 HG LEU A 62 7.167 14.734 5.690 1.00 0.00 H new ATOM 0 HD11 LEU A 62 8.266 16.617 4.507 1.00 0.00 H new ATOM 0 HD12 LEU A 62 8.698 15.059 3.764 1.00 0.00 H new ATOM 0 HD13 LEU A 62 7.494 16.112 2.986 1.00 0.00 H new ATOM 0 HD21 LEU A 62 6.012 16.925 5.544 1.00 0.00 H new ATOM 0 HD22 LEU A 62 5.244 16.419 4.020 1.00 0.00 H new ATOM 0 HD23 LEU A 62 4.840 15.585 5.540 1.00 0.00 H new ATOM 977 N VAL A 63 8.783 11.896 5.634 1.00 0.00 N ATOM 978 CA VAL A 63 9.143 11.417 6.964 1.00 0.00 C ATOM 979 C VAL A 63 10.128 12.369 7.635 1.00 0.00 C ATOM 980 O VAL A 63 11.123 12.774 7.034 1.00 0.00 O ATOM 981 CB VAL A 63 9.768 10.024 6.862 1.00 0.00 C ATOM 982 CG1 VAL A 63 10.075 9.497 8.265 1.00 0.00 C ATOM 983 CG2 VAL A 63 8.789 9.078 6.164 1.00 0.00 C ATOM 0 H VAL A 63 9.545 11.885 4.956 1.00 0.00 H new ATOM 0 HA VAL A 63 8.237 11.370 7.568 1.00 0.00 H new ATOM 0 HB VAL A 63 10.692 10.081 6.287 1.00 0.00 H new ATOM 0 HG11 VAL A 63 10.520 8.505 8.192 1.00 0.00 H new ATOM 0 HG12 VAL A 63 10.772 10.171 8.763 1.00 0.00 H new ATOM 0 HG13 VAL A 63 9.152 9.439 8.842 1.00 0.00 H new ATOM 0 HG21 VAL A 63 9.232 8.085 6.090 1.00 0.00 H new ATOM 0 HG22 VAL A 63 7.865 9.021 6.740 1.00 0.00 H new ATOM 0 HG23 VAL A 63 8.571 9.453 5.164 1.00 0.00 H new ATOM 993 N THR A 64 9.845 12.719 8.885 1.00 0.00 N ATOM 994 CA THR A 64 10.717 13.616 9.635 1.00 0.00 C ATOM 995 C THR A 64 11.433 12.855 10.745 1.00 0.00 C ATOM 996 O THR A 64 10.815 12.087 11.483 1.00 0.00 O ATOM 997 CB THR A 64 9.897 14.757 10.242 1.00 0.00 C ATOM 998 OG1 THR A 64 9.189 15.430 9.210 1.00 0.00 O ATOM 999 CG2 THR A 64 10.833 15.740 10.947 1.00 0.00 C ATOM 0 H THR A 64 9.024 12.398 9.398 1.00 0.00 H new ATOM 0 HA THR A 64 11.460 14.028 8.952 1.00 0.00 H new ATOM 0 HB THR A 64 9.188 14.352 10.964 1.00 0.00 H new ATOM 0 HG1 THR A 64 8.662 16.160 9.597 1.00 0.00 H new ATOM 0 HG21 THR A 64 10.249 16.552 11.379 1.00 0.00 H new ATOM 0 HG22 THR A 64 11.375 15.222 11.738 1.00 0.00 H new ATOM 0 HG23 THR A 64 11.543 16.147 10.227 1.00 0.00 H new ATOM 1007 N PHE A 65 12.740 13.068 10.858 1.00 0.00 N ATOM 1008 CA PHE A 65 13.528 12.394 11.883 1.00 0.00 C ATOM 1009 C PHE A 65 14.136 13.406 12.849 1.00 0.00 C ATOM 1010 O PHE A 65 14.252 14.591 12.532 1.00 0.00 O ATOM 1011 CB PHE A 65 14.642 11.576 11.229 1.00 0.00 C ATOM 1012 CG PHE A 65 14.179 11.089 9.877 1.00 0.00 C ATOM 1013 CD1 PHE A 65 14.200 11.955 8.777 1.00 0.00 C ATOM 1014 CD2 PHE A 65 13.729 9.773 9.723 1.00 0.00 C ATOM 1015 CE1 PHE A 65 13.770 11.505 7.523 1.00 0.00 C ATOM 1016 CE2 PHE A 65 13.298 9.323 8.468 1.00 0.00 C ATOM 1017 CZ PHE A 65 13.318 10.188 7.369 1.00 0.00 C ATOM 0 H PHE A 65 13.273 13.697 10.257 1.00 0.00 H new ATOM 0 HA PHE A 65 12.869 11.730 12.442 1.00 0.00 H new ATOM 0 HB2 PHE A 65 15.540 12.185 11.121 1.00 0.00 H new ATOM 0 HB3 PHE A 65 14.906 10.729 11.862 1.00 0.00 H new ATOM 0 HD1 PHE A 65 14.548 12.970 8.896 1.00 0.00 H new ATOM 0 HD2 PHE A 65 13.714 9.104 10.571 1.00 0.00 H new ATOM 0 HE1 PHE A 65 13.787 12.173 6.675 1.00 0.00 H new ATOM 0 HE2 PHE A 65 12.950 8.308 8.349 1.00 0.00 H new ATOM 0 HZ PHE A 65 12.985 9.841 6.402 1.00 0.00 H new ATOM 1027 N ASN A 66 14.520 12.931 14.029 1.00 0.00 N ATOM 1028 CA ASN A 66 15.123 13.799 15.034 1.00 0.00 C ATOM 1029 C ASN A 66 16.608 14.000 14.748 1.00 0.00 C ATOM 1030 O ASN A 66 17.239 13.177 14.085 1.00 0.00 O ATOM 1031 CB ASN A 66 14.949 13.187 16.424 1.00 0.00 C ATOM 1032 CG ASN A 66 15.311 14.211 17.495 1.00 0.00 C ATOM 1033 OD1 ASN A 66 14.646 15.240 17.620 1.00 0.00 O ATOM 1034 ND2 ASN A 66 16.330 13.991 18.279 1.00 0.00 N ATOM 0 H ASN A 66 14.425 11.956 14.312 1.00 0.00 H new ATOM 0 HA ASN A 66 14.623 14.767 14.997 1.00 0.00 H new ATOM 0 HB2 ASN A 66 13.919 12.857 16.558 1.00 0.00 H new ATOM 0 HB3 ASN A 66 15.582 12.305 16.524 1.00 0.00 H new ATOM 0 HD21 ASN A 66 16.577 14.672 18.997 1.00 0.00 H new ATOM 0 HD22 ASN A 66 16.880 13.138 18.174 1.00 0.00 H new ATOM 1041 N GLU A 67 17.159 15.098 15.254 1.00 0.00 N ATOM 1042 CA GLU A 67 18.572 15.396 15.047 1.00 0.00 C ATOM 1043 C GLU A 67 19.425 14.168 15.341 1.00 0.00 C ATOM 1044 O GLU A 67 20.362 13.859 14.603 1.00 0.00 O ATOM 1045 CB GLU A 67 19.001 16.549 15.958 1.00 0.00 C ATOM 1046 CG GLU A 67 20.528 16.580 16.057 1.00 0.00 C ATOM 1047 CD GLU A 67 20.992 17.963 16.503 1.00 0.00 C ATOM 1048 OE1 GLU A 67 20.157 18.728 16.958 1.00 0.00 O ATOM 1049 OE2 GLU A 67 22.174 18.235 16.383 1.00 0.00 O ATOM 0 H GLU A 67 16.654 15.791 15.806 1.00 0.00 H new ATOM 0 HA GLU A 67 18.716 15.684 14.006 1.00 0.00 H new ATOM 0 HB2 GLU A 67 18.632 17.495 15.563 1.00 0.00 H new ATOM 0 HB3 GLU A 67 18.564 16.426 16.949 1.00 0.00 H new ATOM 0 HG2 GLU A 67 20.870 15.826 16.766 1.00 0.00 H new ATOM 0 HG3 GLU A 67 20.969 16.333 15.091 1.00 0.00 H new ATOM 1056 N ASP A 68 19.096 13.470 16.423 1.00 0.00 N ATOM 1057 CA ASP A 68 19.839 12.276 16.805 1.00 0.00 C ATOM 1058 C ASP A 68 19.414 11.085 15.951 1.00 0.00 C ATOM 1059 O ASP A 68 18.774 10.154 16.440 1.00 0.00 O ATOM 1060 CB ASP A 68 19.594 11.959 18.282 1.00 0.00 C ATOM 1061 CG ASP A 68 20.196 13.054 19.157 1.00 0.00 C ATOM 1062 OD1 ASP A 68 20.964 13.846 18.637 1.00 0.00 O ATOM 1063 OD2 ASP A 68 19.880 13.084 20.334 1.00 0.00 O ATOM 0 H ASP A 68 18.325 13.709 17.047 1.00 0.00 H new ATOM 0 HA ASP A 68 20.901 12.464 16.645 1.00 0.00 H new ATOM 0 HB2 ASP A 68 18.524 11.877 18.472 1.00 0.00 H new ATOM 0 HB3 ASP A 68 20.037 10.996 18.534 1.00 0.00 H new ATOM 1068 N CYS A 69 19.773 11.122 14.672 1.00 0.00 N ATOM 1069 CA CYS A 69 19.428 10.037 13.761 1.00 0.00 C ATOM 1070 C CYS A 69 20.427 9.963 12.611 1.00 0.00 C ATOM 1071 O CYS A 69 20.486 10.858 11.768 1.00 0.00 O ATOM 1072 CB CYS A 69 18.020 10.252 13.202 1.00 0.00 C ATOM 1073 SG CYS A 69 16.869 10.548 14.567 1.00 0.00 S ATOM 0 H CYS A 69 20.299 11.885 14.245 1.00 0.00 H new ATOM 0 HA CYS A 69 19.460 9.099 14.316 1.00 0.00 H new ATOM 0 HB2 CYS A 69 18.014 11.100 12.517 1.00 0.00 H new ATOM 0 HB3 CYS A 69 17.706 9.378 12.631 1.00 0.00 H new ATOM 0 HG CYS A 69 17.436 10.225 15.691 1.00 0.00 H new ATOM 1079 N ASP A 70 21.210 8.889 12.582 1.00 0.00 N ATOM 1080 CA ASP A 70 22.206 8.711 11.532 1.00 0.00 C ATOM 1081 C ASP A 70 21.549 8.189 10.258 1.00 0.00 C ATOM 1082 O ASP A 70 21.631 7.001 9.947 1.00 0.00 O ATOM 1083 CB ASP A 70 23.283 7.727 11.993 1.00 0.00 C ATOM 1084 CG ASP A 70 24.469 7.765 11.036 1.00 0.00 C ATOM 1085 OD1 ASP A 70 24.441 8.573 10.121 1.00 0.00 O ATOM 1086 OD2 ASP A 70 25.388 6.987 11.231 1.00 0.00 O ATOM 0 H ASP A 70 21.175 8.135 13.268 1.00 0.00 H new ATOM 0 HA ASP A 70 22.665 9.677 11.323 1.00 0.00 H new ATOM 0 HB2 ASP A 70 23.611 7.980 13.001 1.00 0.00 H new ATOM 0 HB3 ASP A 70 22.872 6.719 12.035 1.00 0.00 H new ATOM 1091 N ILE A 71 20.894 9.086 9.526 1.00 0.00 N ATOM 1092 CA ILE A 71 20.214 8.703 8.294 1.00 0.00 C ATOM 1093 C ILE A 71 20.830 9.420 7.096 1.00 0.00 C ATOM 1094 O ILE A 71 21.435 10.482 7.240 1.00 0.00 O ATOM 1095 CB ILE A 71 18.728 9.051 8.392 1.00 0.00 C ATOM 1096 CG1 ILE A 71 18.572 10.553 8.641 1.00 0.00 C ATOM 1097 CG2 ILE A 71 18.097 8.276 9.550 1.00 0.00 C ATOM 1098 CD1 ILE A 71 17.090 10.895 8.803 1.00 0.00 C ATOM 0 H ILE A 71 20.820 10.075 9.763 1.00 0.00 H new ATOM 0 HA ILE A 71 20.328 7.628 8.155 1.00 0.00 H new ATOM 0 HB ILE A 71 18.230 8.782 7.460 1.00 0.00 H new ATOM 0 HG12 ILE A 71 19.122 10.843 9.536 1.00 0.00 H new ATOM 0 HG13 ILE A 71 18.997 11.116 7.810 1.00 0.00 H new ATOM 0 HG21 ILE A 71 17.038 8.524 9.620 1.00 0.00 H new ATOM 0 HG22 ILE A 71 18.208 7.206 9.375 1.00 0.00 H new ATOM 0 HG23 ILE A 71 18.595 8.545 10.482 1.00 0.00 H new ATOM 0 HD11 ILE A 71 16.981 11.965 8.980 1.00 0.00 H new ATOM 0 HD12 ILE A 71 16.552 10.621 7.896 1.00 0.00 H new ATOM 0 HD13 ILE A 71 16.680 10.343 9.649 1.00 0.00 H new ATOM 1110 N LYS A 72 20.673 8.830 5.915 1.00 0.00 N ATOM 1111 CA LYS A 72 21.221 9.421 4.699 1.00 0.00 C ATOM 1112 C LYS A 72 20.134 9.578 3.640 1.00 0.00 C ATOM 1113 O LYS A 72 19.045 9.018 3.767 1.00 0.00 O ATOM 1114 CB LYS A 72 22.345 8.538 4.152 1.00 0.00 C ATOM 1115 CG LYS A 72 23.205 9.350 3.181 1.00 0.00 C ATOM 1116 CD LYS A 72 24.430 8.527 2.775 1.00 0.00 C ATOM 1117 CE LYS A 72 23.991 7.356 1.895 1.00 0.00 C ATOM 1118 NZ LYS A 72 25.165 6.839 1.136 1.00 0.00 N ATOM 0 H LYS A 72 20.175 7.951 5.774 1.00 0.00 H new ATOM 0 HA LYS A 72 21.617 10.406 4.943 1.00 0.00 H new ATOM 0 HB2 LYS A 72 22.958 8.163 4.971 1.00 0.00 H new ATOM 0 HB3 LYS A 72 21.925 7.670 3.644 1.00 0.00 H new ATOM 0 HG2 LYS A 72 22.623 9.616 2.298 1.00 0.00 H new ATOM 0 HG3 LYS A 72 23.519 10.283 3.649 1.00 0.00 H new ATOM 0 HD2 LYS A 72 25.140 9.154 2.236 1.00 0.00 H new ATOM 0 HD3 LYS A 72 24.942 8.156 3.663 1.00 0.00 H new ATOM 0 HE2 LYS A 72 23.565 6.564 2.511 1.00 0.00 H new ATOM 0 HE3 LYS A 72 23.211 7.678 1.205 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 24.868 6.042 0.537 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 25.552 7.596 0.538 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 25.895 6.517 1.803 1.00 0.00 H new ATOM 1132 N ALA A 73 20.439 10.343 2.596 1.00 0.00 N ATOM 1133 CA ALA A 73 19.481 10.568 1.521 1.00 0.00 C ATOM 1134 C ALA A 73 19.852 9.744 0.292 1.00 0.00 C ATOM 1135 O ALA A 73 21.021 9.668 -0.087 1.00 0.00 O ATOM 1136 CB ALA A 73 19.448 12.052 1.151 1.00 0.00 C ATOM 0 H ALA A 73 21.335 10.814 2.473 1.00 0.00 H new ATOM 0 HA ALA A 73 18.495 10.259 1.869 1.00 0.00 H new ATOM 0 HB1 ALA A 73 18.729 12.211 0.347 1.00 0.00 H new ATOM 0 HB2 ALA A 73 19.153 12.638 2.022 1.00 0.00 H new ATOM 0 HB3 ALA A 73 20.438 12.367 0.820 1.00 0.00 H new ATOM 1142 N LEU A 74 18.850 9.126 -0.325 1.00 0.00 N ATOM 1143 CA LEU A 74 19.084 8.312 -1.513 1.00 0.00 C ATOM 1144 C LEU A 74 18.414 8.935 -2.733 1.00 0.00 C ATOM 1145 O LEU A 74 17.678 9.915 -2.615 1.00 0.00 O ATOM 1146 CB LEU A 74 18.538 6.900 -1.292 1.00 0.00 C ATOM 1147 CG LEU A 74 18.950 6.405 0.096 1.00 0.00 C ATOM 1148 CD1 LEU A 74 18.260 5.073 0.391 1.00 0.00 C ATOM 1149 CD2 LEU A 74 20.467 6.214 0.137 1.00 0.00 C ATOM 0 H LEU A 74 17.876 9.172 -0.026 1.00 0.00 H new ATOM 0 HA LEU A 74 20.158 8.263 -1.691 1.00 0.00 H new ATOM 0 HB2 LEU A 74 17.452 6.900 -1.382 1.00 0.00 H new ATOM 0 HB3 LEU A 74 18.921 6.226 -2.059 1.00 0.00 H new ATOM 0 HG LEU A 74 18.654 7.139 0.846 1.00 0.00 H new ATOM 0 HD11 LEU A 74 18.555 4.722 1.380 1.00 0.00 H new ATOM 0 HD12 LEU A 74 17.179 5.209 0.361 1.00 0.00 H new ATOM 0 HD13 LEU A 74 18.554 4.337 -0.358 1.00 0.00 H new ATOM 0 HD21 LEU A 74 20.763 5.861 1.125 1.00 0.00 H new ATOM 0 HD22 LEU A 74 20.762 5.480 -0.613 1.00 0.00 H new ATOM 0 HD23 LEU A 74 20.959 7.164 -0.071 1.00 0.00 H new ATOM 1161 N GLY A 75 18.674 8.362 -3.903 1.00 0.00 N ATOM 1162 CA GLY A 75 18.078 8.861 -5.136 1.00 0.00 C ATOM 1163 C GLY A 75 18.062 10.385 -5.156 1.00 0.00 C ATOM 1164 O GLY A 75 19.038 11.030 -4.771 1.00 0.00 O ATOM 0 H GLY A 75 19.289 7.557 -4.023 1.00 0.00 H new ATOM 0 HA2 GLY A 75 18.640 8.488 -5.993 1.00 0.00 H new ATOM 0 HA3 GLY A 75 17.061 8.482 -5.232 1.00 0.00 H new ATOM 1168 N LYS A 76 16.949 10.955 -5.605 1.00 0.00 N ATOM 1169 CA LYS A 76 16.819 12.406 -5.673 1.00 0.00 C ATOM 1170 C LYS A 76 16.265 12.955 -4.363 1.00 0.00 C ATOM 1171 O LYS A 76 16.131 14.167 -4.193 1.00 0.00 O ATOM 1172 CB LYS A 76 15.891 12.794 -6.825 1.00 0.00 C ATOM 1173 CG LYS A 76 14.461 12.358 -6.499 1.00 0.00 C ATOM 1174 CD LYS A 76 13.597 12.460 -7.757 1.00 0.00 C ATOM 1175 CE LYS A 76 13.491 13.924 -8.187 1.00 0.00 C ATOM 1176 NZ LYS A 76 14.708 14.304 -8.959 1.00 0.00 N ATOM 0 H LYS A 76 16.129 10.439 -5.925 1.00 0.00 H new ATOM 0 HA LYS A 76 17.807 12.833 -5.844 1.00 0.00 H new ATOM 0 HB2 LYS A 76 15.926 13.871 -6.987 1.00 0.00 H new ATOM 0 HB3 LYS A 76 16.224 12.322 -7.749 1.00 0.00 H new ATOM 0 HG2 LYS A 76 14.458 11.334 -6.125 1.00 0.00 H new ATOM 0 HG3 LYS A 76 14.049 12.987 -5.710 1.00 0.00 H new ATOM 0 HD2 LYS A 76 14.033 11.865 -8.560 1.00 0.00 H new ATOM 0 HD3 LYS A 76 12.604 12.054 -7.563 1.00 0.00 H new ATOM 0 HE2 LYS A 76 12.600 14.071 -8.797 1.00 0.00 H new ATOM 0 HE3 LYS A 76 13.388 14.565 -7.311 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 15.301 14.935 -8.383 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 15.247 13.448 -9.201 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 14.426 14.794 -9.832 1.00 0.00 H new ATOM 1190 N THR A 77 15.943 12.055 -3.440 1.00 0.00 N ATOM 1191 CA THR A 77 15.390 12.458 -2.152 1.00 0.00 C ATOM 1192 C THR A 77 16.190 13.617 -1.566 1.00 0.00 C ATOM 1193 O THR A 77 17.393 13.500 -1.338 1.00 0.00 O ATOM 1194 CB THR A 77 15.411 11.276 -1.181 1.00 0.00 C ATOM 1195 OG1 THR A 77 14.724 10.177 -1.760 1.00 0.00 O ATOM 1196 CG2 THR A 77 14.726 11.677 0.127 1.00 0.00 C ATOM 0 H THR A 77 16.054 11.048 -3.558 1.00 0.00 H new ATOM 0 HA THR A 77 14.361 12.782 -2.304 1.00 0.00 H new ATOM 0 HB THR A 77 16.443 10.992 -0.976 1.00 0.00 H new ATOM 0 HG1 THR A 77 15.355 9.631 -2.274 1.00 0.00 H new ATOM 0 HG21 THR A 77 14.741 10.835 0.819 1.00 0.00 H new ATOM 0 HG22 THR A 77 15.255 12.521 0.571 1.00 0.00 H new ATOM 0 HG23 THR A 77 13.694 11.962 -0.075 1.00 0.00 H new ATOM 1204 N LYS A 78 15.512 14.735 -1.324 1.00 0.00 N ATOM 1205 CA LYS A 78 16.170 15.908 -0.761 1.00 0.00 C ATOM 1206 C LYS A 78 16.229 15.810 0.760 1.00 0.00 C ATOM 1207 O LYS A 78 15.212 15.581 1.415 1.00 0.00 O ATOM 1208 CB LYS A 78 15.416 17.176 -1.166 1.00 0.00 C ATOM 1209 CG LYS A 78 16.270 18.403 -0.844 1.00 0.00 C ATOM 1210 CD LYS A 78 17.185 18.713 -2.029 1.00 0.00 C ATOM 1211 CE LYS A 78 16.455 19.630 -3.012 1.00 0.00 C ATOM 1212 NZ LYS A 78 17.259 19.758 -4.262 1.00 0.00 N ATOM 0 H LYS A 78 14.516 14.853 -1.507 1.00 0.00 H new ATOM 0 HA LYS A 78 17.187 15.953 -1.150 1.00 0.00 H new ATOM 0 HB2 LYS A 78 15.185 17.150 -2.231 1.00 0.00 H new ATOM 0 HB3 LYS A 78 14.466 17.232 -0.635 1.00 0.00 H new ATOM 0 HG2 LYS A 78 15.630 19.259 -0.632 1.00 0.00 H new ATOM 0 HG3 LYS A 78 16.865 18.220 0.051 1.00 0.00 H new ATOM 0 HD2 LYS A 78 18.100 19.192 -1.680 1.00 0.00 H new ATOM 0 HD3 LYS A 78 17.478 17.789 -2.527 1.00 0.00 H new ATOM 0 HE2 LYS A 78 15.469 19.225 -3.241 1.00 0.00 H new ATOM 0 HE3 LYS A 78 16.300 20.612 -2.564 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 16.764 20.381 -4.931 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 18.190 20.163 -4.036 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 17.385 18.819 -4.692 1.00 0.00 H new ATOM 1226 N LEU A 79 17.424 15.985 1.314 1.00 0.00 N ATOM 1227 CA LEU A 79 17.603 15.910 2.759 1.00 0.00 C ATOM 1228 C LEU A 79 18.166 17.220 3.299 1.00 0.00 C ATOM 1229 O LEU A 79 19.155 17.741 2.785 1.00 0.00 O ATOM 1230 CB LEU A 79 18.554 14.762 3.107 1.00 0.00 C ATOM 1231 CG LEU A 79 18.818 14.759 4.614 1.00 0.00 C ATOM 1232 CD1 LEU A 79 17.492 14.637 5.365 1.00 0.00 C ATOM 1233 CD2 LEU A 79 19.715 13.571 4.970 1.00 0.00 C ATOM 0 H LEU A 79 18.277 16.178 0.789 1.00 0.00 H new ATOM 0 HA LEU A 79 16.631 15.730 3.218 1.00 0.00 H new ATOM 0 HB2 LEU A 79 18.120 13.810 2.801 1.00 0.00 H new ATOM 0 HB3 LEU A 79 19.492 14.874 2.563 1.00 0.00 H new ATOM 0 HG LEU A 79 19.312 15.688 4.898 1.00 0.00 H new ATOM 0 HD11 LEU A 79 17.681 14.635 6.439 1.00 0.00 H new ATOM 0 HD12 LEU A 79 16.851 15.481 5.111 1.00 0.00 H new ATOM 0 HD13 LEU A 79 16.998 13.708 5.082 1.00 0.00 H new ATOM 0 HD21 LEU A 79 19.904 13.567 6.043 1.00 0.00 H new ATOM 0 HD22 LEU A 79 19.219 12.643 4.685 1.00 0.00 H new ATOM 0 HD23 LEU A 79 20.661 13.656 4.435 1.00 0.00 H new ATOM 1245 N GLU A 80 17.528 17.747 4.339 1.00 0.00 N ATOM 1246 CA GLU A 80 17.973 18.999 4.941 1.00 0.00 C ATOM 1247 C GLU A 80 17.593 19.047 6.417 1.00 0.00 C ATOM 1248 O GLU A 80 16.625 18.415 6.840 1.00 0.00 O ATOM 1249 CB GLU A 80 17.339 20.184 4.209 1.00 0.00 C ATOM 1250 CG GLU A 80 15.819 20.017 4.186 1.00 0.00 C ATOM 1251 CD GLU A 80 15.181 21.162 3.407 1.00 0.00 C ATOM 1252 OE1 GLU A 80 15.908 22.055 3.003 1.00 0.00 O ATOM 1253 OE2 GLU A 80 13.975 21.129 3.223 1.00 0.00 O ATOM 0 H GLU A 80 16.708 17.331 4.780 1.00 0.00 H new ATOM 0 HA GLU A 80 19.058 19.058 4.855 1.00 0.00 H new ATOM 0 HB2 GLU A 80 17.605 21.117 4.706 1.00 0.00 H new ATOM 0 HB3 GLU A 80 17.724 20.244 3.191 1.00 0.00 H new ATOM 0 HG2 GLU A 80 15.556 19.064 3.728 1.00 0.00 H new ATOM 0 HG3 GLU A 80 15.431 19.999 5.205 1.00 0.00 H new ATOM 1260 N GLN A 81 18.361 19.800 7.197 1.00 0.00 N ATOM 1261 CA GLN A 81 18.097 19.921 8.626 1.00 0.00 C ATOM 1262 C GLN A 81 17.517 21.294 8.951 1.00 0.00 C ATOM 1263 O GLN A 81 17.778 22.271 8.248 1.00 0.00 O ATOM 1264 CB GLN A 81 19.391 19.712 9.415 1.00 0.00 C ATOM 1265 CG GLN A 81 19.067 19.600 10.906 1.00 0.00 C ATOM 1266 CD GLN A 81 20.339 19.316 11.697 1.00 0.00 C ATOM 1267 OE1 GLN A 81 21.397 19.085 11.110 1.00 0.00 O ATOM 1268 NE2 GLN A 81 20.301 19.320 13.000 1.00 0.00 N ATOM 0 H GLN A 81 19.166 20.332 6.867 1.00 0.00 H new ATOM 0 HA GLN A 81 17.372 19.158 8.908 1.00 0.00 H new ATOM 0 HB2 GLN A 81 19.896 18.809 9.073 1.00 0.00 H new ATOM 0 HB3 GLN A 81 20.074 20.544 9.242 1.00 0.00 H new ATOM 0 HG2 GLN A 81 18.609 20.525 11.257 1.00 0.00 H new ATOM 0 HG3 GLN A 81 18.342 18.803 11.070 1.00 0.00 H new ATOM 0 HE21 GLN A 81 19.424 19.512 13.484 1.00 0.00 H new ATOM 0 HE22 GLN A 81 21.148 19.132 13.536 1.00 0.00 H new ATOM 1277 N GLN A 82 16.729 21.360 10.018 1.00 0.00 N ATOM 1278 CA GLN A 82 16.115 22.618 10.426 1.00 0.00 C ATOM 1279 C GLN A 82 16.804 23.173 11.668 1.00 0.00 C ATOM 1280 O GLN A 82 17.595 22.484 12.312 1.00 0.00 O ATOM 1281 CB GLN A 82 14.628 22.404 10.718 1.00 0.00 C ATOM 1282 CG GLN A 82 14.096 21.266 9.845 1.00 0.00 C ATOM 1283 CD GLN A 82 14.446 21.522 8.383 1.00 0.00 C ATOM 1284 OE1 GLN A 82 15.161 20.647 7.730 1.00 0.00 O flip ATOM 1285 NE2 GLN A 82 14.057 22.545 7.821 1.00 0.00 N flip ATOM 0 H GLN A 82 16.501 20.563 10.613 1.00 0.00 H new ATOM 0 HA GLN A 82 16.226 23.335 9.612 1.00 0.00 H new ATOM 0 HB2 GLN A 82 14.484 22.166 11.772 1.00 0.00 H new ATOM 0 HB3 GLN A 82 14.072 23.320 10.519 1.00 0.00 H new ATOM 0 HG2 GLN A 82 14.524 20.317 10.169 1.00 0.00 H new ATOM 0 HG3 GLN A 82 13.015 21.184 9.960 1.00 0.00 H new ATOM 0 HE21 GLN A 82 13.498 23.227 8.333 1.00 0.00 H new ATOM 0 HE22 GLN A 82 14.293 22.711 6.843 1.00 0.00 H new ATOM 1294 N GLU A 83 16.501 24.425 11.999 1.00 0.00 N ATOM 1295 CA GLU A 83 17.099 25.062 13.166 1.00 0.00 C ATOM 1296 C GLU A 83 16.672 24.347 14.445 1.00 0.00 C ATOM 1297 O GLU A 83 17.457 24.208 15.381 1.00 0.00 O ATOM 1298 CB GLU A 83 16.675 26.530 13.234 1.00 0.00 C ATOM 1299 CG GLU A 83 17.495 27.250 14.306 1.00 0.00 C ATOM 1300 CD GLU A 83 18.945 27.386 13.848 1.00 0.00 C ATOM 1301 OE1 GLU A 83 19.171 27.356 12.649 1.00 0.00 O ATOM 1302 OE2 GLU A 83 19.805 27.518 14.703 1.00 0.00 O ATOM 0 H GLU A 83 15.850 25.014 11.480 1.00 0.00 H new ATOM 0 HA GLU A 83 18.183 25.001 13.074 1.00 0.00 H new ATOM 0 HB2 GLU A 83 16.824 27.008 12.266 1.00 0.00 H new ATOM 0 HB3 GLU A 83 15.612 26.602 13.465 1.00 0.00 H new ATOM 0 HG2 GLU A 83 17.072 28.236 14.499 1.00 0.00 H new ATOM 0 HG3 GLU A 83 17.451 26.695 15.243 1.00 0.00 H new ATOM 1309 N ASN A 84 15.422 23.896 14.473 1.00 0.00 N ATOM 1310 CA ASN A 84 14.898 23.201 15.644 1.00 0.00 C ATOM 1311 C ASN A 84 15.730 21.957 15.945 1.00 0.00 C ATOM 1312 O ASN A 84 15.773 21.489 17.082 1.00 0.00 O ATOM 1313 CB ASN A 84 13.443 22.796 15.402 1.00 0.00 C ATOM 1314 CG ASN A 84 13.318 22.075 14.065 1.00 0.00 C ATOM 1315 OD1 ASN A 84 14.082 21.048 13.813 1.00 0.00 O flip ATOM 1316 ND2 ASN A 84 12.502 22.458 13.226 1.00 0.00 N flip ATOM 0 H ASN A 84 14.758 23.998 13.706 1.00 0.00 H new ATOM 0 HA ASN A 84 14.951 23.876 16.498 1.00 0.00 H new ATOM 0 HB2 ASN A 84 13.099 22.148 16.208 1.00 0.00 H new ATOM 0 HB3 ASN A 84 12.805 23.680 15.409 1.00 0.00 H new ATOM 0 HD21 ASN A 84 11.905 23.261 13.424 1.00 0.00 H new ATOM 0 HD22 ASN A 84 12.423 21.972 12.333 1.00 0.00 H new ATOM 1323 N GLY A 85 16.386 21.427 14.918 1.00 0.00 N ATOM 1324 CA GLY A 85 17.224 20.246 15.087 1.00 0.00 C ATOM 1325 C GLY A 85 16.484 18.988 14.643 1.00 0.00 C ATOM 1326 O GLY A 85 16.377 18.020 15.397 1.00 0.00 O ATOM 0 H GLY A 85 16.354 21.793 13.967 1.00 0.00 H new ATOM 0 HA2 GLY A 85 18.140 20.358 14.507 1.00 0.00 H new ATOM 0 HA3 GLY A 85 17.519 20.150 16.132 1.00 0.00 H new ATOM 1330 N GLU A 86 15.974 19.010 13.416 1.00 0.00 N ATOM 1331 CA GLU A 86 15.264 17.858 12.874 1.00 0.00 C ATOM 1332 C GLU A 86 15.636 17.638 11.411 1.00 0.00 C ATOM 1333 O GLU A 86 15.976 18.582 10.698 1.00 0.00 O ATOM 1334 CB GLU A 86 13.753 18.074 12.990 1.00 0.00 C ATOM 1335 CG GLU A 86 13.355 18.120 14.466 1.00 0.00 C ATOM 1336 CD GLU A 86 11.842 18.260 14.593 1.00 0.00 C ATOM 1337 OE1 GLU A 86 11.202 18.502 13.583 1.00 0.00 O ATOM 1338 OE2 GLU A 86 11.345 18.122 15.699 1.00 0.00 O ATOM 0 H GLU A 86 16.038 19.807 12.782 1.00 0.00 H new ATOM 0 HA GLU A 86 15.551 16.976 13.447 1.00 0.00 H new ATOM 0 HB2 GLU A 86 13.469 19.004 12.497 1.00 0.00 H new ATOM 0 HB3 GLU A 86 13.220 17.269 12.484 1.00 0.00 H new ATOM 0 HG2 GLU A 86 13.688 17.213 14.970 1.00 0.00 H new ATOM 0 HG3 GLU A 86 13.849 18.958 14.959 1.00 0.00 H new ATOM 1345 N TRP A 87 15.566 16.386 10.969 1.00 0.00 N ATOM 1346 CA TRP A 87 15.893 16.054 9.587 1.00 0.00 C ATOM 1347 C TRP A 87 14.620 15.819 8.779 1.00 0.00 C ATOM 1348 O TRP A 87 13.644 15.269 9.288 1.00 0.00 O ATOM 1349 CB TRP A 87 16.766 14.799 9.543 1.00 0.00 C ATOM 1350 CG TRP A 87 18.134 15.124 10.052 1.00 0.00 C ATOM 1351 CD1 TRP A 87 18.569 14.889 11.311 1.00 0.00 C ATOM 1352 CD2 TRP A 87 19.245 15.745 9.343 1.00 0.00 C ATOM 1353 NE1 TRP A 87 19.876 15.328 11.421 1.00 0.00 N ATOM 1354 CE2 TRP A 87 20.337 15.863 10.235 1.00 0.00 C ATOM 1355 CE3 TRP A 87 19.409 16.216 8.028 1.00 0.00 C ATOM 1356 CZ2 TRP A 87 21.550 16.427 9.835 1.00 0.00 C ATOM 1357 CZ3 TRP A 87 20.628 16.782 7.621 1.00 0.00 C ATOM 1358 CH2 TRP A 87 21.696 16.886 8.524 1.00 0.00 C ATOM 0 H TRP A 87 15.288 15.590 11.543 1.00 0.00 H new ATOM 0 HA TRP A 87 16.439 16.891 9.151 1.00 0.00 H new ATOM 0 HB2 TRP A 87 16.319 14.011 10.149 1.00 0.00 H new ATOM 0 HB3 TRP A 87 16.827 14.421 8.522 1.00 0.00 H new ATOM 0 HD1 TRP A 87 17.991 14.433 12.101 1.00 0.00 H new ATOM 0 HE1 TRP A 87 20.431 15.264 12.274 1.00 0.00 H new ATOM 0 HE3 TRP A 87 18.592 16.142 7.326 1.00 0.00 H new ATOM 0 HZ2 TRP A 87 22.369 16.508 10.534 1.00 0.00 H new ATOM 0 HZ3 TRP A 87 20.744 17.139 6.608 1.00 0.00 H new ATOM 0 HH2 TRP A 87 22.632 17.321 8.206 1.00 0.00 H new ATOM 1369 N VAL A 88 14.638 16.241 7.519 1.00 0.00 N ATOM 1370 CA VAL A 88 13.475 16.083 6.655 1.00 0.00 C ATOM 1371 C VAL A 88 13.876 15.445 5.328 1.00 0.00 C ATOM 1372 O VAL A 88 14.839 15.869 4.690 1.00 0.00 O ATOM 1373 CB VAL A 88 12.828 17.444 6.395 1.00 0.00 C ATOM 1374 CG1 VAL A 88 11.679 17.281 5.398 1.00 0.00 C ATOM 1375 CG2 VAL A 88 12.283 18.007 7.710 1.00 0.00 C ATOM 0 H VAL A 88 15.439 16.692 7.076 1.00 0.00 H new ATOM 0 HA VAL A 88 12.759 15.432 7.156 1.00 0.00 H new ATOM 0 HB VAL A 88 13.571 18.127 5.985 1.00 0.00 H new ATOM 0 HG11 VAL A 88 11.218 18.251 5.213 1.00 0.00 H new ATOM 0 HG12 VAL A 88 12.064 16.878 4.462 1.00 0.00 H new ATOM 0 HG13 VAL A 88 10.935 16.598 5.809 1.00 0.00 H new ATOM 0 HG21 VAL A 88 11.821 18.977 7.527 1.00 0.00 H new ATOM 0 HG22 VAL A 88 11.539 17.323 8.118 1.00 0.00 H new ATOM 0 HG23 VAL A 88 13.100 18.123 8.423 1.00 0.00 H new ATOM 1385 N ALA A 89 13.128 14.425 4.918 1.00 0.00 N ATOM 1386 CA ALA A 89 13.407 13.744 3.659 1.00 0.00 C ATOM 1387 C ALA A 89 12.112 13.474 2.899 1.00 0.00 C ATOM 1388 O ALA A 89 11.322 12.613 3.286 1.00 0.00 O ATOM 1389 CB ALA A 89 14.127 12.422 3.927 1.00 0.00 C ATOM 0 H ALA A 89 12.330 14.054 5.435 1.00 0.00 H new ATOM 0 HA ALA A 89 14.045 14.388 3.053 1.00 0.00 H new ATOM 0 HB1 ALA A 89 14.331 11.921 2.981 1.00 0.00 H new ATOM 0 HB2 ALA A 89 15.066 12.618 4.444 1.00 0.00 H new ATOM 0 HB3 ALA A 89 13.497 11.784 4.547 1.00 0.00 H new ATOM 1395 N SER A 90 11.900 14.217 1.818 1.00 0.00 N ATOM 1396 CA SER A 90 10.683 14.069 1.028 1.00 0.00 C ATOM 1397 C SER A 90 11.018 13.677 -0.407 1.00 0.00 C ATOM 1398 O SER A 90 12.014 14.132 -0.969 1.00 0.00 O ATOM 1399 CB SER A 90 9.897 15.380 1.029 1.00 0.00 C ATOM 1400 OG SER A 90 10.574 16.334 0.222 1.00 0.00 O ATOM 0 H SER A 90 12.550 14.923 1.471 1.00 0.00 H new ATOM 0 HA SER A 90 10.077 13.281 1.475 1.00 0.00 H new ATOM 0 HB2 SER A 90 8.890 15.214 0.648 1.00 0.00 H new ATOM 0 HB3 SER A 90 9.795 15.755 2.047 1.00 0.00 H new ATOM 0 HG SER A 90 10.072 17.175 0.219 1.00 0.00 H new ATOM 1406 N VAL A 91 10.177 12.830 -0.994 1.00 0.00 N ATOM 1407 CA VAL A 91 10.383 12.397 -2.371 1.00 0.00 C ATOM 1408 C VAL A 91 9.099 11.799 -2.939 1.00 0.00 C ATOM 1409 O VAL A 91 8.391 11.061 -2.255 1.00 0.00 O ATOM 1410 CB VAL A 91 11.502 11.357 -2.432 1.00 0.00 C ATOM 1411 CG1 VAL A 91 10.998 10.031 -1.858 1.00 0.00 C ATOM 1412 CG2 VAL A 91 11.930 11.153 -3.886 1.00 0.00 C ATOM 0 H VAL A 91 9.353 12.433 -0.542 1.00 0.00 H new ATOM 0 HA VAL A 91 10.664 13.265 -2.967 1.00 0.00 H new ATOM 0 HB VAL A 91 12.354 11.705 -1.848 1.00 0.00 H new ATOM 0 HG11 VAL A 91 11.795 9.289 -1.901 1.00 0.00 H new ATOM 0 HG12 VAL A 91 10.693 10.176 -0.822 1.00 0.00 H new ATOM 0 HG13 VAL A 91 10.146 9.682 -2.442 1.00 0.00 H new ATOM 0 HG21 VAL A 91 12.728 10.412 -3.930 1.00 0.00 H new ATOM 0 HG22 VAL A 91 11.078 10.805 -4.470 1.00 0.00 H new ATOM 0 HG23 VAL A 91 12.289 12.097 -4.295 1.00 0.00 H new ATOM 1422 N VAL A 92 8.804 12.126 -4.193 1.00 0.00 N ATOM 1423 CA VAL A 92 7.598 11.621 -4.840 1.00 0.00 C ATOM 1424 C VAL A 92 7.921 10.405 -5.703 1.00 0.00 C ATOM 1425 O VAL A 92 8.910 10.395 -6.435 1.00 0.00 O ATOM 1426 CB VAL A 92 6.976 12.715 -5.709 1.00 0.00 C ATOM 1427 CG1 VAL A 92 5.717 12.173 -6.389 1.00 0.00 C ATOM 1428 CG2 VAL A 92 6.607 13.912 -4.831 1.00 0.00 C ATOM 0 H VAL A 92 9.378 12.733 -4.778 1.00 0.00 H new ATOM 0 HA VAL A 92 6.890 11.325 -4.066 1.00 0.00 H new ATOM 0 HB VAL A 92 7.692 13.028 -6.469 1.00 0.00 H new ATOM 0 HG11 VAL A 92 5.274 12.953 -7.008 1.00 0.00 H new ATOM 0 HG12 VAL A 92 5.980 11.319 -7.013 1.00 0.00 H new ATOM 0 HG13 VAL A 92 5.000 11.861 -5.630 1.00 0.00 H new ATOM 0 HG21 VAL A 92 6.163 14.693 -5.448 1.00 0.00 H new ATOM 0 HG22 VAL A 92 5.890 13.599 -4.072 1.00 0.00 H new ATOM 0 HG23 VAL A 92 7.504 14.298 -4.346 1.00 0.00 H new ATOM 1438 N VAL A 93 7.077 9.382 -5.611 1.00 0.00 N ATOM 1439 CA VAL A 93 7.282 8.163 -6.385 1.00 0.00 C ATOM 1440 C VAL A 93 6.120 7.940 -7.348 1.00 0.00 C ATOM 1441 O VAL A 93 4.955 7.994 -6.952 1.00 0.00 O ATOM 1442 CB VAL A 93 7.406 6.962 -5.446 1.00 0.00 C ATOM 1443 CG1 VAL A 93 7.756 5.713 -6.257 1.00 0.00 C ATOM 1444 CG2 VAL A 93 8.509 7.230 -4.420 1.00 0.00 C ATOM 0 H VAL A 93 6.251 9.372 -5.013 1.00 0.00 H new ATOM 0 HA VAL A 93 8.202 8.270 -6.960 1.00 0.00 H new ATOM 0 HB VAL A 93 6.459 6.805 -4.930 1.00 0.00 H new ATOM 0 HG11 VAL A 93 7.844 4.857 -5.587 1.00 0.00 H new ATOM 0 HG12 VAL A 93 6.971 5.522 -6.988 1.00 0.00 H new ATOM 0 HG13 VAL A 93 8.703 5.868 -6.774 1.00 0.00 H new ATOM 0 HG21 VAL A 93 8.598 6.375 -3.750 1.00 0.00 H new ATOM 0 HG22 VAL A 93 9.456 7.387 -4.936 1.00 0.00 H new ATOM 0 HG23 VAL A 93 8.259 8.119 -3.841 1.00 0.00 H new ATOM 1454 N TYR A 94 6.444 7.689 -8.611 1.00 0.00 N ATOM 1455 CA TYR A 94 5.415 7.465 -9.622 1.00 0.00 C ATOM 1456 C TYR A 94 5.067 5.983 -9.711 1.00 0.00 C ATOM 1457 O TYR A 94 5.864 5.123 -9.334 1.00 0.00 O ATOM 1458 CB TYR A 94 5.905 7.963 -10.983 1.00 0.00 C ATOM 1459 CG TYR A 94 6.096 9.460 -10.931 1.00 0.00 C ATOM 1460 CD1 TYR A 94 4.993 10.301 -10.736 1.00 0.00 C ATOM 1461 CD2 TYR A 94 7.377 10.007 -11.072 1.00 0.00 C ATOM 1462 CE1 TYR A 94 5.172 11.688 -10.684 1.00 0.00 C ATOM 1463 CE2 TYR A 94 7.556 11.395 -11.019 1.00 0.00 C ATOM 1464 CZ TYR A 94 6.453 12.235 -10.825 1.00 0.00 C ATOM 1465 OH TYR A 94 6.629 13.603 -10.773 1.00 0.00 O ATOM 0 H TYR A 94 7.402 7.636 -8.958 1.00 0.00 H new ATOM 0 HA TYR A 94 4.521 8.018 -9.335 1.00 0.00 H new ATOM 0 HB2 TYR A 94 6.844 7.475 -11.245 1.00 0.00 H new ATOM 0 HB3 TYR A 94 5.184 7.704 -11.758 1.00 0.00 H new ATOM 0 HD1 TYR A 94 4.005 9.879 -10.626 1.00 0.00 H new ATOM 0 HD2 TYR A 94 8.227 9.358 -11.222 1.00 0.00 H new ATOM 0 HE1 TYR A 94 4.322 12.337 -10.535 1.00 0.00 H new ATOM 0 HE2 TYR A 94 8.544 11.817 -11.128 1.00 0.00 H new ATOM 0 HH TYR A 94 7.579 13.815 -10.887 1.00 0.00 H new ATOM 1475 N PRO A 95 3.897 5.678 -10.201 1.00 0.00 N ATOM 1476 CA PRO A 95 3.427 4.269 -10.349 1.00 0.00 C ATOM 1477 C PRO A 95 4.332 3.455 -11.269 1.00 0.00 C ATOM 1478 O PRO A 95 5.001 4.005 -12.144 1.00 0.00 O ATOM 1479 CB PRO A 95 2.022 4.405 -10.945 1.00 0.00 C ATOM 1480 CG PRO A 95 1.597 5.809 -10.666 1.00 0.00 C ATOM 1481 CD PRO A 95 2.865 6.660 -10.669 1.00 0.00 C ATOM 0 HA PRO A 95 3.437 3.737 -9.398 1.00 0.00 H new ATOM 0 HB2 PRO A 95 2.030 4.204 -12.016 1.00 0.00 H new ATOM 0 HB3 PRO A 95 1.334 3.691 -10.492 1.00 0.00 H new ATOM 0 HG2 PRO A 95 0.895 6.158 -11.423 1.00 0.00 H new ATOM 0 HG3 PRO A 95 1.088 5.876 -9.704 1.00 0.00 H new ATOM 0 HD2 PRO A 95 3.093 7.050 -11.661 1.00 0.00 H new ATOM 0 HD3 PRO A 95 2.784 7.517 -10.000 1.00 0.00 H new ATOM 1489 N CYS A 96 4.349 2.142 -11.062 1.00 0.00 N ATOM 1490 CA CYS A 96 5.168 1.260 -11.885 1.00 0.00 C ATOM 1491 C CYS A 96 6.639 1.653 -11.789 1.00 0.00 C ATOM 1492 O CYS A 96 7.455 1.247 -12.617 1.00 0.00 O ATOM 1493 CB CYS A 96 4.711 1.333 -13.344 1.00 0.00 C ATOM 1494 SG CYS A 96 2.904 1.274 -13.412 1.00 0.00 S ATOM 0 H CYS A 96 3.809 1.668 -10.337 1.00 0.00 H new ATOM 0 HA CYS A 96 5.051 0.240 -11.520 1.00 0.00 H new ATOM 0 HB2 CYS A 96 5.073 2.252 -13.804 1.00 0.00 H new ATOM 0 HB3 CYS A 96 5.134 0.504 -13.911 1.00 0.00 H new ATOM 0 HG CYS A 96 2.514 1.338 -14.650 1.00 0.00 H new ATOM 1500 N GLU A 97 6.968 2.444 -10.774 1.00 0.00 N ATOM 1501 CA GLU A 97 8.345 2.885 -10.576 1.00 0.00 C ATOM 1502 C GLU A 97 8.721 2.820 -9.099 1.00 0.00 C ATOM 1503 O GLU A 97 7.897 3.091 -8.226 1.00 0.00 O ATOM 1504 CB GLU A 97 8.513 4.318 -11.084 1.00 0.00 C ATOM 1505 CG GLU A 97 8.509 4.322 -12.614 1.00 0.00 C ATOM 1506 CD GLU A 97 9.798 3.701 -13.140 1.00 0.00 C ATOM 1507 OE1 GLU A 97 10.730 3.571 -12.363 1.00 0.00 O ATOM 1508 OE2 GLU A 97 9.836 3.365 -14.311 1.00 0.00 O ATOM 0 H GLU A 97 6.306 2.791 -10.080 1.00 0.00 H new ATOM 0 HA GLU A 97 9.003 2.221 -11.137 1.00 0.00 H new ATOM 0 HB2 GLU A 97 7.706 4.946 -10.706 1.00 0.00 H new ATOM 0 HB3 GLU A 97 9.446 4.740 -10.711 1.00 0.00 H new ATOM 0 HG2 GLU A 97 7.649 3.764 -12.985 1.00 0.00 H new ATOM 0 HG3 GLU A 97 8.410 5.343 -12.983 1.00 0.00 H new ATOM 1515 N THR A 98 9.970 2.457 -8.827 1.00 0.00 N ATOM 1516 CA THR A 98 10.446 2.363 -7.451 1.00 0.00 C ATOM 1517 C THR A 98 11.727 3.172 -7.272 1.00 0.00 C ATOM 1518 O THR A 98 12.701 2.978 -8.000 1.00 0.00 O ATOM 1519 CB THR A 98 10.708 0.900 -7.088 1.00 0.00 C ATOM 1520 OG1 THR A 98 9.702 0.082 -7.671 1.00 0.00 O ATOM 1521 CG2 THR A 98 10.682 0.737 -5.567 1.00 0.00 C ATOM 0 H THR A 98 10.667 2.225 -9.535 1.00 0.00 H new ATOM 0 HA THR A 98 9.679 2.768 -6.791 1.00 0.00 H new ATOM 0 HB THR A 98 11.685 0.601 -7.466 1.00 0.00 H new ATOM 0 HG1 THR A 98 9.222 -0.399 -6.965 1.00 0.00 H new ATOM 0 HG21 THR A 98 10.869 -0.306 -5.310 1.00 0.00 H new ATOM 0 HG22 THR A 98 11.453 1.365 -5.121 1.00 0.00 H new ATOM 0 HG23 THR A 98 9.705 1.036 -5.186 1.00 0.00 H new ATOM 1529 N GLU A 99 11.720 4.076 -6.299 1.00 0.00 N ATOM 1530 CA GLU A 99 12.880 4.925 -6.049 1.00 0.00 C ATOM 1531 C GLU A 99 13.403 4.716 -4.632 1.00 0.00 C ATOM 1532 O GLU A 99 12.712 4.156 -3.781 1.00 0.00 O ATOM 1533 CB GLU A 99 12.503 6.395 -6.245 1.00 0.00 C ATOM 1534 CG GLU A 99 11.951 6.598 -7.657 1.00 0.00 C ATOM 1535 CD GLU A 99 11.658 8.075 -7.895 1.00 0.00 C ATOM 1536 OE1 GLU A 99 11.756 8.838 -6.949 1.00 0.00 O ATOM 1537 OE2 GLU A 99 11.342 8.422 -9.021 1.00 0.00 O ATOM 0 H GLU A 99 10.931 4.240 -5.674 1.00 0.00 H new ATOM 0 HA GLU A 99 13.664 4.654 -6.756 1.00 0.00 H new ATOM 0 HB2 GLU A 99 11.759 6.692 -5.506 1.00 0.00 H new ATOM 0 HB3 GLU A 99 13.376 7.029 -6.090 1.00 0.00 H new ATOM 0 HG2 GLU A 99 12.670 6.238 -8.393 1.00 0.00 H new ATOM 0 HG3 GLU A 99 11.041 6.013 -7.788 1.00 0.00 H new ATOM 1544 N MET A 100 14.627 5.170 -4.387 1.00 0.00 N ATOM 1545 CA MET A 100 15.231 5.037 -3.066 1.00 0.00 C ATOM 1546 C MET A 100 14.816 6.196 -2.166 1.00 0.00 C ATOM 1547 O MET A 100 14.483 7.279 -2.647 1.00 0.00 O ATOM 1548 CB MET A 100 16.756 5.009 -3.189 1.00 0.00 C ATOM 1549 CG MET A 100 17.167 3.956 -4.219 1.00 0.00 C ATOM 1550 SD MET A 100 16.525 2.339 -3.719 1.00 0.00 S ATOM 1551 CE MET A 100 17.456 2.195 -2.174 1.00 0.00 C ATOM 0 H MET A 100 15.217 5.630 -5.080 1.00 0.00 H new ATOM 0 HA MET A 100 14.883 4.104 -2.623 1.00 0.00 H new ATOM 0 HB2 MET A 100 17.125 5.990 -3.489 1.00 0.00 H new ATOM 0 HB3 MET A 100 17.205 4.782 -2.222 1.00 0.00 H new ATOM 0 HG2 MET A 100 16.781 4.224 -5.203 1.00 0.00 H new ATOM 0 HG3 MET A 100 18.253 3.918 -4.302 1.00 0.00 H new ATOM 0 HE1 MET A 100 17.605 1.142 -1.936 1.00 0.00 H new ATOM 0 HE2 MET A 100 18.424 2.682 -2.286 1.00 0.00 H new ATOM 0 HE3 MET A 100 16.900 2.674 -1.368 1.00 0.00 H new ATOM 1561 N PHE A 101 14.838 5.961 -0.858 1.00 0.00 N ATOM 1562 CA PHE A 101 14.448 6.990 0.100 1.00 0.00 C ATOM 1563 C PHE A 101 15.640 7.401 0.958 1.00 0.00 C ATOM 1564 O PHE A 101 16.518 8.138 0.506 1.00 0.00 O ATOM 1565 CB PHE A 101 13.325 6.470 0.998 1.00 0.00 C ATOM 1566 CG PHE A 101 12.868 7.575 1.921 1.00 0.00 C ATOM 1567 CD1 PHE A 101 12.664 8.865 1.417 1.00 0.00 C ATOM 1568 CD2 PHE A 101 12.611 7.302 3.269 1.00 0.00 C ATOM 1569 CE1 PHE A 101 12.214 9.884 2.264 1.00 0.00 C ATOM 1570 CE2 PHE A 101 12.161 8.321 4.117 1.00 0.00 C ATOM 1571 CZ PHE A 101 11.963 9.613 3.615 1.00 0.00 C ATOM 0 H PHE A 101 15.119 5.074 -0.439 1.00 0.00 H new ATOM 0 HA PHE A 101 14.095 7.860 -0.453 1.00 0.00 H new ATOM 0 HB2 PHE A 101 12.491 6.121 0.390 1.00 0.00 H new ATOM 0 HB3 PHE A 101 13.675 5.617 1.579 1.00 0.00 H new ATOM 0 HD1 PHE A 101 12.854 9.074 0.375 1.00 0.00 H new ATOM 0 HD2 PHE A 101 12.760 6.305 3.656 1.00 0.00 H new ATOM 0 HE1 PHE A 101 12.060 10.880 1.876 1.00 0.00 H new ATOM 0 HE2 PHE A 101 11.967 8.111 5.158 1.00 0.00 H new ATOM 0 HZ PHE A 101 11.617 10.400 4.269 1.00 0.00 H new ATOM 1581 N ILE A 102 15.665 6.921 2.196 1.00 0.00 N ATOM 1582 CA ILE A 102 16.756 7.242 3.108 1.00 0.00 C ATOM 1583 C ILE A 102 17.408 5.968 3.634 1.00 0.00 C ATOM 1584 O ILE A 102 16.795 4.900 3.637 1.00 0.00 O ATOM 1585 CB ILE A 102 16.231 8.071 4.281 1.00 0.00 C ATOM 1586 CG1 ILE A 102 15.309 7.204 5.142 1.00 0.00 C ATOM 1587 CG2 ILE A 102 15.447 9.271 3.748 1.00 0.00 C ATOM 1588 CD1 ILE A 102 16.149 6.390 6.129 1.00 0.00 C ATOM 0 H ILE A 102 14.947 6.312 2.589 1.00 0.00 H new ATOM 0 HA ILE A 102 17.502 7.819 2.562 1.00 0.00 H new ATOM 0 HB ILE A 102 17.070 8.423 4.882 1.00 0.00 H new ATOM 0 HG12 ILE A 102 14.601 7.833 5.682 1.00 0.00 H new ATOM 0 HG13 ILE A 102 14.724 6.537 4.509 1.00 0.00 H new ATOM 0 HG21 ILE A 102 15.073 9.862 4.584 1.00 0.00 H new ATOM 0 HG22 ILE A 102 16.101 9.888 3.132 1.00 0.00 H new ATOM 0 HG23 ILE A 102 14.608 8.920 3.148 1.00 0.00 H new ATOM 0 HD11 ILE A 102 15.493 5.772 6.742 1.00 0.00 H new ATOM 0 HD12 ILE A 102 16.839 5.751 5.579 1.00 0.00 H new ATOM 0 HD13 ILE A 102 16.714 7.066 6.770 1.00 0.00 H new ATOM 1600 N GLU A 103 18.655 6.086 4.079 1.00 0.00 N ATOM 1601 CA GLU A 103 19.381 4.935 4.604 1.00 0.00 C ATOM 1602 C GLU A 103 20.116 5.304 5.889 1.00 0.00 C ATOM 1603 O GLU A 103 20.425 6.472 6.126 1.00 0.00 O ATOM 1604 CB GLU A 103 20.386 4.435 3.565 1.00 0.00 C ATOM 1605 CG GLU A 103 21.210 3.290 4.158 1.00 0.00 C ATOM 1606 CD GLU A 103 22.089 2.667 3.080 1.00 0.00 C ATOM 1607 OE1 GLU A 103 21.976 3.081 1.939 1.00 0.00 O ATOM 1608 OE2 GLU A 103 22.863 1.783 3.412 1.00 0.00 O ATOM 0 H GLU A 103 19.181 6.960 4.087 1.00 0.00 H new ATOM 0 HA GLU A 103 18.662 4.146 4.825 1.00 0.00 H new ATOM 0 HB2 GLU A 103 19.862 4.095 2.672 1.00 0.00 H new ATOM 0 HB3 GLU A 103 21.043 5.249 3.259 1.00 0.00 H new ATOM 0 HG2 GLU A 103 21.830 3.662 4.974 1.00 0.00 H new ATOM 0 HG3 GLU A 103 20.547 2.534 4.580 1.00 0.00 H new ATOM 1615 N GLY A 104 20.392 4.300 6.715 1.00 0.00 N ATOM 1616 CA GLY A 104 21.099 4.528 7.971 1.00 0.00 C ATOM 1617 C GLY A 104 20.244 4.109 9.162 1.00 0.00 C ATOM 1618 O GLY A 104 19.296 3.338 9.016 1.00 0.00 O ATOM 0 H GLY A 104 20.139 3.327 6.540 1.00 0.00 H new ATOM 0 HA2 GLY A 104 22.033 3.967 7.974 1.00 0.00 H new ATOM 0 HA3 GLY A 104 21.360 5.582 8.059 1.00 0.00 H new ATOM 1622 N ARG A 105 20.585 4.623 10.340 1.00 0.00 N ATOM 1623 CA ARG A 105 19.843 4.289 11.551 1.00 0.00 C ATOM 1624 C ARG A 105 18.718 5.294 11.779 1.00 0.00 C ATOM 1625 O ARG A 105 18.891 6.494 11.568 1.00 0.00 O ATOM 1626 CB ARG A 105 20.785 4.291 12.757 1.00 0.00 C ATOM 1627 CG ARG A 105 20.046 3.752 13.983 1.00 0.00 C ATOM 1628 CD ARG A 105 20.965 3.820 15.204 1.00 0.00 C ATOM 1629 NE ARG A 105 22.143 2.985 14.996 1.00 0.00 N ATOM 1630 CZ ARG A 105 23.002 2.750 15.983 1.00 0.00 C ATOM 1631 NH1 ARG A 105 22.797 3.269 17.163 1.00 0.00 N ATOM 1632 NH2 ARG A 105 24.049 2.001 15.773 1.00 0.00 N ATOM 0 H ARG A 105 21.363 5.267 10.481 1.00 0.00 H new ATOM 0 HA ARG A 105 19.411 3.296 11.431 1.00 0.00 H new ATOM 0 HB2 ARG A 105 21.661 3.677 12.548 1.00 0.00 H new ATOM 0 HB3 ARG A 105 21.143 5.302 12.950 1.00 0.00 H new ATOM 0 HG2 ARG A 105 19.143 4.335 14.162 1.00 0.00 H new ATOM 0 HG3 ARG A 105 19.732 2.723 13.808 1.00 0.00 H new ATOM 0 HD2 ARG A 105 21.269 4.852 15.383 1.00 0.00 H new ATOM 0 HD3 ARG A 105 20.427 3.488 16.092 1.00 0.00 H new ATOM 0 HE ARG A 105 22.310 2.574 14.077 1.00 0.00 H new ATOM 0 HH11 ARG A 105 21.978 3.854 17.327 1.00 0.00 H new ATOM 0 HH12 ARG A 105 23.456 3.089 17.921 1.00 0.00 H new ATOM 0 HH21 ARG A 105 24.209 1.595 14.851 1.00 0.00 H new ATOM 0 HH22 ARG A 105 24.708 1.821 16.531 1.00 0.00 H new ATOM 1646 N VAL A 106 17.563 4.794 12.210 1.00 0.00 N ATOM 1647 CA VAL A 106 16.415 5.659 12.456 1.00 0.00 C ATOM 1648 C VAL A 106 16.075 5.696 13.942 1.00 0.00 C ATOM 1649 O VAL A 106 15.987 4.657 14.597 1.00 0.00 O ATOM 1650 CB VAL A 106 15.205 5.156 11.668 1.00 0.00 C ATOM 1651 CG1 VAL A 106 14.160 6.270 11.568 1.00 0.00 C ATOM 1652 CG2 VAL A 106 15.646 4.747 10.262 1.00 0.00 C ATOM 0 H VAL A 106 17.399 3.804 12.394 1.00 0.00 H new ATOM 0 HA VAL A 106 16.670 6.667 12.130 1.00 0.00 H new ATOM 0 HB VAL A 106 14.772 4.296 12.179 1.00 0.00 H new ATOM 0 HG11 VAL A 106 13.298 5.911 11.006 1.00 0.00 H new ATOM 0 HG12 VAL A 106 13.844 6.563 12.569 1.00 0.00 H new ATOM 0 HG13 VAL A 106 14.593 7.130 11.057 1.00 0.00 H new ATOM 0 HG21 VAL A 106 14.784 4.388 9.700 1.00 0.00 H new ATOM 0 HG22 VAL A 106 16.079 5.607 9.752 1.00 0.00 H new ATOM 0 HG23 VAL A 106 16.390 3.953 10.330 1.00 0.00 H new ATOM 1662 N ASN A 107 15.881 6.902 14.468 1.00 0.00 N ATOM 1663 CA ASN A 107 15.550 7.070 15.879 1.00 0.00 C ATOM 1664 C ASN A 107 14.477 8.141 16.046 1.00 0.00 C ATOM 1665 O ASN A 107 14.667 9.290 15.646 1.00 0.00 O ATOM 1666 CB ASN A 107 16.799 7.467 16.667 1.00 0.00 C ATOM 1667 CG ASN A 107 16.398 8.168 17.961 1.00 0.00 C ATOM 1668 OD1 ASN A 107 15.436 7.764 18.615 1.00 0.00 O ATOM 1669 ND2 ASN A 107 17.082 9.202 18.371 1.00 0.00 N ATOM 0 H ASN A 107 15.947 7.773 13.941 1.00 0.00 H new ATOM 0 HA ASN A 107 15.170 6.123 16.262 1.00 0.00 H new ATOM 0 HB2 ASN A 107 17.394 6.582 16.892 1.00 0.00 H new ATOM 0 HB3 ASN A 107 17.425 8.126 16.065 1.00 0.00 H new ATOM 0 HD21 ASN A 107 16.820 9.677 19.235 1.00 0.00 H new ATOM 0 HD22 ASN A 107 17.878 9.535 17.828 1.00 0.00 H new ATOM 1676 N GLY A 108 13.348 7.757 16.634 1.00 0.00 N ATOM 1677 CA GLY A 108 12.256 8.698 16.847 1.00 0.00 C ATOM 1678 C GLY A 108 12.014 9.534 15.596 1.00 0.00 C ATOM 1679 O GLY A 108 12.716 10.516 15.349 1.00 0.00 O ATOM 0 H GLY A 108 13.167 6.810 16.968 1.00 0.00 H new ATOM 0 HA2 GLY A 108 11.348 8.155 17.109 1.00 0.00 H new ATOM 0 HA3 GLY A 108 12.491 9.351 17.687 1.00 0.00 H new ATOM 1683 N PHE A 109 11.021 9.140 14.806 1.00 0.00 N ATOM 1684 CA PHE A 109 10.715 9.855 13.572 1.00 0.00 C ATOM 1685 C PHE A 109 9.215 9.831 13.291 1.00 0.00 C ATOM 1686 O PHE A 109 8.497 8.956 13.773 1.00 0.00 O ATOM 1687 CB PHE A 109 11.463 9.214 12.402 1.00 0.00 C ATOM 1688 CG PHE A 109 11.053 7.766 12.281 1.00 0.00 C ATOM 1689 CD1 PHE A 109 11.578 6.813 13.162 1.00 0.00 C ATOM 1690 CD2 PHE A 109 10.149 7.376 11.286 1.00 0.00 C ATOM 1691 CE1 PHE A 109 11.199 5.470 13.048 1.00 0.00 C ATOM 1692 CE2 PHE A 109 9.768 6.033 11.174 1.00 0.00 C ATOM 1693 CZ PHE A 109 10.294 5.080 12.054 1.00 0.00 C ATOM 0 H PHE A 109 10.420 8.338 14.995 1.00 0.00 H new ATOM 0 HA PHE A 109 11.033 10.891 13.687 1.00 0.00 H new ATOM 0 HB2 PHE A 109 11.239 9.746 11.477 1.00 0.00 H new ATOM 0 HB3 PHE A 109 12.539 9.287 12.559 1.00 0.00 H new ATOM 0 HD1 PHE A 109 12.275 7.114 13.930 1.00 0.00 H new ATOM 0 HD2 PHE A 109 9.745 8.111 10.605 1.00 0.00 H new ATOM 0 HE1 PHE A 109 11.605 4.735 13.727 1.00 0.00 H new ATOM 0 HE2 PHE A 109 9.068 5.733 10.408 1.00 0.00 H new ATOM 0 HZ PHE A 109 10.002 4.044 11.966 1.00 0.00 H new ATOM 1703 N LYS A 110 8.753 10.799 12.505 1.00 0.00 N ATOM 1704 CA LYS A 110 7.342 10.872 12.145 1.00 0.00 C ATOM 1705 C LYS A 110 7.163 10.629 10.650 1.00 0.00 C ATOM 1706 O LYS A 110 7.885 11.194 9.829 1.00 0.00 O ATOM 1707 CB LYS A 110 6.778 12.244 12.516 1.00 0.00 C ATOM 1708 CG LYS A 110 7.116 12.560 13.974 1.00 0.00 C ATOM 1709 CD LYS A 110 8.405 13.383 14.035 1.00 0.00 C ATOM 1710 CE LYS A 110 8.073 14.865 13.853 1.00 0.00 C ATOM 1711 NZ LYS A 110 9.330 15.631 13.620 1.00 0.00 N ATOM 0 H LYS A 110 9.331 11.539 12.108 1.00 0.00 H new ATOM 0 HA LYS A 110 6.802 10.101 12.695 1.00 0.00 H new ATOM 0 HB2 LYS A 110 7.195 13.009 11.861 1.00 0.00 H new ATOM 0 HB3 LYS A 110 5.698 12.256 12.372 1.00 0.00 H new ATOM 0 HG2 LYS A 110 6.298 13.112 14.436 1.00 0.00 H new ATOM 0 HG3 LYS A 110 7.236 11.635 14.539 1.00 0.00 H new ATOM 0 HD2 LYS A 110 8.904 13.226 14.991 1.00 0.00 H new ATOM 0 HD3 LYS A 110 9.095 13.056 13.257 1.00 0.00 H new ATOM 0 HE2 LYS A 110 7.394 14.996 13.011 1.00 0.00 H new ATOM 0 HE3 LYS A 110 7.561 15.245 14.737 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 9.161 16.366 12.904 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 9.635 16.077 14.509 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 10.073 14.985 13.284 1.00 0.00 H new ATOM 1725 N SER A 111 6.200 9.781 10.304 1.00 0.00 N ATOM 1726 CA SER A 111 5.950 9.452 8.906 1.00 0.00 C ATOM 1727 C SER A 111 4.605 10.008 8.448 1.00 0.00 C ATOM 1728 O SER A 111 3.594 9.864 9.134 1.00 0.00 O ATOM 1729 CB SER A 111 5.966 7.935 8.719 1.00 0.00 C ATOM 1730 OG SER A 111 7.190 7.414 9.221 1.00 0.00 O ATOM 0 H SER A 111 5.584 9.312 10.968 1.00 0.00 H new ATOM 0 HA SER A 111 6.737 9.905 8.303 1.00 0.00 H new ATOM 0 HB2 SER A 111 5.123 7.483 9.242 1.00 0.00 H new ATOM 0 HB3 SER A 111 5.857 7.686 7.664 1.00 0.00 H new ATOM 0 HG SER A 111 7.204 6.441 9.105 1.00 0.00 H new ATOM 1736 N LYS A 112 4.604 10.639 7.277 1.00 0.00 N ATOM 1737 CA LYS A 112 3.378 11.191 6.713 1.00 0.00 C ATOM 1738 C LYS A 112 3.312 10.908 5.215 1.00 0.00 C ATOM 1739 O LYS A 112 4.200 11.305 4.461 1.00 0.00 O ATOM 1740 CB LYS A 112 3.321 12.701 6.953 1.00 0.00 C ATOM 1741 CG LYS A 112 1.920 13.218 6.622 1.00 0.00 C ATOM 1742 CD LYS A 112 1.025 13.094 7.857 1.00 0.00 C ATOM 1743 CE LYS A 112 1.152 14.357 8.709 1.00 0.00 C ATOM 1744 NZ LYS A 112 0.434 15.480 8.044 1.00 0.00 N ATOM 0 H LYS A 112 5.435 10.780 6.703 1.00 0.00 H new ATOM 0 HA LYS A 112 2.527 10.718 7.203 1.00 0.00 H new ATOM 0 HB2 LYS A 112 3.567 12.924 7.991 1.00 0.00 H new ATOM 0 HB3 LYS A 112 4.062 13.207 6.334 1.00 0.00 H new ATOM 0 HG2 LYS A 112 1.971 14.258 6.300 1.00 0.00 H new ATOM 0 HG3 LYS A 112 1.497 12.649 5.794 1.00 0.00 H new ATOM 0 HD2 LYS A 112 -0.012 12.950 7.554 1.00 0.00 H new ATOM 0 HD3 LYS A 112 1.312 12.219 8.440 1.00 0.00 H new ATOM 0 HE2 LYS A 112 0.736 14.182 9.701 1.00 0.00 H new ATOM 0 HE3 LYS A 112 2.203 14.613 8.844 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 0.165 16.189 8.755 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 1.056 15.919 7.335 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 -0.421 15.117 7.576 1.00 0.00 H new ATOM 1758 N MET A 113 2.259 10.216 4.791 1.00 0.00 N ATOM 1759 CA MET A 113 2.107 9.868 3.382 1.00 0.00 C ATOM 1760 C MET A 113 0.712 10.225 2.879 1.00 0.00 C ATOM 1761 O MET A 113 -0.219 10.401 3.665 1.00 0.00 O ATOM 1762 CB MET A 113 2.352 8.371 3.186 1.00 0.00 C ATOM 1763 CG MET A 113 3.810 8.045 3.510 1.00 0.00 C ATOM 1764 SD MET A 113 4.151 6.319 3.085 1.00 0.00 S ATOM 1765 CE MET A 113 3.284 5.566 4.483 1.00 0.00 C ATOM 0 H MET A 113 1.506 9.888 5.395 1.00 0.00 H new ATOM 0 HA MET A 113 2.839 10.438 2.810 1.00 0.00 H new ATOM 0 HB2 MET A 113 1.688 7.796 3.831 1.00 0.00 H new ATOM 0 HB3 MET A 113 2.124 8.086 2.159 1.00 0.00 H new ATOM 0 HG2 MET A 113 4.474 8.706 2.953 1.00 0.00 H new ATOM 0 HG3 MET A 113 4.005 8.215 4.569 1.00 0.00 H new ATOM 0 HE1 MET A 113 3.708 4.583 4.687 1.00 0.00 H new ATOM 0 HE2 MET A 113 3.395 6.199 5.363 1.00 0.00 H new ATOM 0 HE3 MET A 113 2.226 5.462 4.242 1.00 0.00 H new ATOM 1775 N ASP A 114 0.578 10.325 1.560 1.00 0.00 N ATOM 1776 CA ASP A 114 -0.703 10.661 0.950 1.00 0.00 C ATOM 1777 C ASP A 114 -0.763 10.133 -0.481 1.00 0.00 C ATOM 1778 O ASP A 114 0.242 9.678 -1.026 1.00 0.00 O ATOM 1779 CB ASP A 114 -0.900 12.179 0.947 1.00 0.00 C ATOM 1780 CG ASP A 114 -2.372 12.514 0.740 1.00 0.00 C ATOM 1781 OD1 ASP A 114 -3.156 11.588 0.601 1.00 0.00 O ATOM 1782 OD2 ASP A 114 -2.696 13.690 0.723 1.00 0.00 O ATOM 0 H ASP A 114 1.338 10.179 0.896 1.00 0.00 H new ATOM 0 HA ASP A 114 -1.498 10.196 1.533 1.00 0.00 H new ATOM 0 HB2 ASP A 114 -0.552 12.601 1.890 1.00 0.00 H new ATOM 0 HB3 ASP A 114 -0.301 12.630 0.156 1.00 0.00 H new ATOM 1787 N ALA A 115 -1.946 10.194 -1.084 1.00 0.00 N ATOM 1788 CA ALA A 115 -2.118 9.721 -2.453 1.00 0.00 C ATOM 1789 C ALA A 115 -2.766 10.796 -3.319 1.00 0.00 C ATOM 1790 O ALA A 115 -3.991 10.897 -3.388 1.00 0.00 O ATOM 1791 CB ALA A 115 -2.986 8.462 -2.467 1.00 0.00 C ATOM 0 H ALA A 115 -2.793 10.563 -0.651 1.00 0.00 H new ATOM 0 HA ALA A 115 -1.134 9.489 -2.860 1.00 0.00 H new ATOM 0 HB1 ALA A 115 -3.109 8.116 -3.493 1.00 0.00 H new ATOM 0 HB2 ALA A 115 -2.505 7.682 -1.876 1.00 0.00 H new ATOM 0 HB3 ALA A 115 -3.963 8.689 -2.041 1.00 0.00 H new ATOM 1797 N LEU A 116 -1.935 11.597 -3.978 1.00 0.00 N ATOM 1798 CA LEU A 116 -2.437 12.670 -4.828 1.00 0.00 C ATOM 1799 C LEU A 116 -2.671 12.161 -6.247 1.00 0.00 C ATOM 1800 O LEU A 116 -2.211 11.079 -6.616 1.00 0.00 O ATOM 1801 CB LEU A 116 -1.435 13.826 -4.855 1.00 0.00 C ATOM 1802 CG LEU A 116 -0.975 14.134 -3.428 1.00 0.00 C ATOM 1803 CD1 LEU A 116 0.141 15.179 -3.463 1.00 0.00 C ATOM 1804 CD2 LEU A 116 -2.156 14.677 -2.620 1.00 0.00 C ATOM 0 H LEU A 116 -0.918 11.524 -3.940 1.00 0.00 H new ATOM 0 HA LEU A 116 -3.384 13.022 -4.419 1.00 0.00 H new ATOM 0 HB2 LEU A 116 -0.578 13.565 -5.476 1.00 0.00 H new ATOM 0 HB3 LEU A 116 -1.894 14.709 -5.299 1.00 0.00 H new ATOM 0 HG LEU A 116 -0.602 13.222 -2.962 1.00 0.00 H new ATOM 0 HD11 LEU A 116 0.467 15.397 -2.446 1.00 0.00 H new ATOM 0 HD12 LEU A 116 0.982 14.794 -4.039 1.00 0.00 H new ATOM 0 HD13 LEU A 116 -0.230 16.092 -3.929 1.00 0.00 H new ATOM 0 HD21 LEU A 116 -1.831 14.897 -1.603 1.00 0.00 H new ATOM 0 HD22 LEU A 116 -2.528 15.589 -3.087 1.00 0.00 H new ATOM 0 HD23 LEU A 116 -2.952 13.932 -2.593 1.00 0.00 H new ATOM 1816 N PRO A 117 -3.378 12.918 -7.041 1.00 0.00 N ATOM 1817 CA PRO A 117 -3.681 12.550 -8.454 1.00 0.00 C ATOM 1818 C PRO A 117 -2.535 12.901 -9.399 1.00 0.00 C ATOM 1819 O PRO A 117 -2.001 14.008 -9.356 1.00 0.00 O ATOM 1820 CB PRO A 117 -4.933 13.366 -8.789 1.00 0.00 C ATOM 1821 CG PRO A 117 -5.264 14.121 -7.544 1.00 0.00 C ATOM 1822 CD PRO A 117 -3.973 14.216 -6.734 1.00 0.00 C ATOM 0 HA PRO A 117 -3.826 11.476 -8.571 1.00 0.00 H new ATOM 0 HB2 PRO A 117 -4.748 14.045 -9.622 1.00 0.00 H new ATOM 0 HB3 PRO A 117 -5.757 12.717 -9.085 1.00 0.00 H new ATOM 0 HG2 PRO A 117 -5.645 15.114 -7.783 1.00 0.00 H new ATOM 0 HG3 PRO A 117 -6.041 13.609 -6.976 1.00 0.00 H new ATOM 0 HD2 PRO A 117 -3.343 15.047 -7.051 1.00 0.00 H new ATOM 0 HD3 PRO A 117 -4.160 14.346 -5.668 1.00 0.00 H new ATOM 1830 N LEU A 118 -2.165 11.951 -10.253 1.00 0.00 N ATOM 1831 CA LEU A 118 -1.078 12.172 -11.199 1.00 0.00 C ATOM 1832 C LEU A 118 -1.340 13.425 -12.028 1.00 0.00 C ATOM 1833 O LEU A 118 -2.255 13.457 -12.851 1.00 0.00 O ATOM 1834 CB LEU A 118 -0.939 10.965 -12.129 1.00 0.00 C ATOM 1835 CG LEU A 118 -0.690 9.705 -11.299 1.00 0.00 C ATOM 1836 CD1 LEU A 118 -1.084 8.473 -12.116 1.00 0.00 C ATOM 1837 CD2 LEU A 118 0.794 9.618 -10.934 1.00 0.00 C ATOM 0 H LEU A 118 -2.598 11.029 -10.309 1.00 0.00 H new ATOM 0 HA LEU A 118 -0.154 12.305 -10.637 1.00 0.00 H new ATOM 0 HB2 LEU A 118 -1.843 10.847 -12.726 1.00 0.00 H new ATOM 0 HB3 LEU A 118 -0.116 11.123 -12.826 1.00 0.00 H new ATOM 0 HG LEU A 118 -1.287 9.746 -10.388 1.00 0.00 H new ATOM 0 HD11 LEU A 118 -0.907 7.574 -11.526 1.00 0.00 H new ATOM 0 HD12 LEU A 118 -2.140 8.533 -12.379 1.00 0.00 H new ATOM 0 HD13 LEU A 118 -0.486 8.433 -13.026 1.00 0.00 H new ATOM 0 HD21 LEU A 118 0.971 8.720 -10.342 1.00 0.00 H new ATOM 0 HD22 LEU A 118 1.391 9.576 -11.845 1.00 0.00 H new ATOM 0 HD23 LEU A 118 1.078 10.496 -10.354 1.00 0.00 H new ATOM 1849 N SER A 119 -0.532 14.455 -11.805 1.00 0.00 N ATOM 1850 CA SER A 119 -0.686 15.707 -12.536 1.00 0.00 C ATOM 1851 C SER A 119 0.022 15.631 -13.884 1.00 0.00 C ATOM 1852 O SER A 119 0.534 14.580 -14.269 1.00 0.00 O ATOM 1853 CB SER A 119 -0.109 16.862 -11.719 1.00 0.00 C ATOM 1854 OG SER A 119 -1.078 17.299 -10.775 1.00 0.00 O ATOM 0 H SER A 119 0.231 14.449 -11.129 1.00 0.00 H new ATOM 0 HA SER A 119 -1.749 15.878 -12.706 1.00 0.00 H new ATOM 0 HB2 SER A 119 0.798 16.542 -11.205 1.00 0.00 H new ATOM 0 HB3 SER A 119 0.171 17.684 -12.377 1.00 0.00 H new ATOM 0 HG SER A 119 -0.711 18.039 -10.248 1.00 0.00 H new ATOM 1860 N GLU A 120 0.050 16.752 -14.597 1.00 0.00 N ATOM 1861 CA GLU A 120 0.706 16.801 -15.897 1.00 0.00 C ATOM 1862 C GLU A 120 2.167 16.381 -15.773 1.00 0.00 C ATOM 1863 O GLU A 120 2.745 15.823 -16.705 1.00 0.00 O ATOM 1864 CB GLU A 120 0.628 18.218 -16.470 1.00 0.00 C ATOM 1865 CG GLU A 120 1.400 18.281 -17.789 1.00 0.00 C ATOM 1866 CD GLU A 120 0.806 17.293 -18.788 1.00 0.00 C ATOM 1867 OE1 GLU A 120 -0.375 17.008 -18.676 1.00 0.00 O ATOM 1868 OE2 GLU A 120 1.540 16.838 -19.649 1.00 0.00 O ATOM 0 H GLU A 120 -0.371 17.632 -14.299 1.00 0.00 H new ATOM 0 HA GLU A 120 0.195 16.110 -16.568 1.00 0.00 H new ATOM 0 HB2 GLU A 120 -0.413 18.499 -16.632 1.00 0.00 H new ATOM 0 HB3 GLU A 120 1.044 18.932 -15.759 1.00 0.00 H new ATOM 0 HG2 GLU A 120 1.359 19.291 -18.196 1.00 0.00 H new ATOM 0 HG3 GLU A 120 2.451 18.049 -17.616 1.00 0.00 H new ATOM 1875 N GLU A 121 2.758 16.652 -14.613 1.00 0.00 N ATOM 1876 CA GLU A 121 4.152 16.299 -14.377 1.00 0.00 C ATOM 1877 C GLU A 121 4.366 14.801 -14.573 1.00 0.00 C ATOM 1878 O GLU A 121 5.391 14.375 -15.104 1.00 0.00 O ATOM 1879 CB GLU A 121 4.559 16.693 -12.956 1.00 0.00 C ATOM 1880 CG GLU A 121 4.472 18.213 -12.802 1.00 0.00 C ATOM 1881 CD GLU A 121 4.926 18.622 -11.405 1.00 0.00 C ATOM 1882 OE1 GLU A 121 5.120 17.740 -10.585 1.00 0.00 O ATOM 1883 OE2 GLU A 121 5.072 19.811 -11.176 1.00 0.00 O ATOM 0 H GLU A 121 2.297 17.111 -13.828 1.00 0.00 H new ATOM 0 HA GLU A 121 4.770 16.840 -15.094 1.00 0.00 H new ATOM 0 HB2 GLU A 121 3.907 16.206 -12.231 1.00 0.00 H new ATOM 0 HB3 GLU A 121 5.574 16.354 -12.750 1.00 0.00 H new ATOM 0 HG2 GLU A 121 5.095 18.699 -13.553 1.00 0.00 H new ATOM 0 HG3 GLU A 121 3.448 18.546 -12.973 1.00 0.00 H new ATOM 1890 N TYR A 122 3.389 14.009 -14.143 1.00 0.00 N ATOM 1891 CA TYR A 122 3.481 12.560 -14.281 1.00 0.00 C ATOM 1892 C TYR A 122 3.538 12.169 -15.754 1.00 0.00 C ATOM 1893 O TYR A 122 4.358 11.343 -16.155 1.00 0.00 O ATOM 1894 CB TYR A 122 2.273 11.893 -13.620 1.00 0.00 C ATOM 1895 CG TYR A 122 2.179 10.457 -14.079 1.00 0.00 C ATOM 1896 CD1 TYR A 122 3.147 9.530 -13.677 1.00 0.00 C ATOM 1897 CD2 TYR A 122 1.133 10.058 -14.918 1.00 0.00 C ATOM 1898 CE1 TYR A 122 3.070 8.202 -14.114 1.00 0.00 C ATOM 1899 CE2 TYR A 122 1.052 8.729 -15.353 1.00 0.00 C ATOM 1900 CZ TYR A 122 2.022 7.802 -14.952 1.00 0.00 C ATOM 1901 OH TYR A 122 1.944 6.493 -15.381 1.00 0.00 O ATOM 0 H TYR A 122 2.532 14.342 -13.700 1.00 0.00 H new ATOM 0 HA TYR A 122 4.394 12.223 -13.789 1.00 0.00 H new ATOM 0 HB2 TYR A 122 2.370 11.934 -12.535 1.00 0.00 H new ATOM 0 HB3 TYR A 122 1.360 12.430 -13.879 1.00 0.00 H new ATOM 0 HD1 TYR A 122 3.954 9.839 -13.029 1.00 0.00 H new ATOM 0 HD2 TYR A 122 0.388 10.775 -15.230 1.00 0.00 H new ATOM 0 HE1 TYR A 122 3.818 7.487 -13.805 1.00 0.00 H new ATOM 0 HE2 TYR A 122 0.242 8.420 -15.997 1.00 0.00 H new ATOM 0 HH TYR A 122 1.051 6.321 -15.747 1.00 0.00 H new ATOM 1911 N ARG A 123 2.665 12.770 -16.555 1.00 0.00 N ATOM 1912 CA ARG A 123 2.623 12.475 -17.982 1.00 0.00 C ATOM 1913 C ARG A 123 3.969 12.782 -18.631 1.00 0.00 C ATOM 1914 O ARG A 123 4.454 12.022 -19.468 1.00 0.00 O ATOM 1915 CB ARG A 123 1.529 13.304 -18.656 1.00 0.00 C ATOM 1916 CG ARG A 123 0.161 12.890 -18.108 1.00 0.00 C ATOM 1917 CD ARG A 123 -0.942 13.582 -18.910 1.00 0.00 C ATOM 1918 NE ARG A 123 -2.249 13.261 -18.349 1.00 0.00 N ATOM 1919 CZ ARG A 123 -2.630 13.748 -17.174 1.00 0.00 C ATOM 1920 NH1 ARG A 123 -1.829 14.527 -16.499 1.00 0.00 N ATOM 1921 NH2 ARG A 123 -3.805 13.447 -16.693 1.00 0.00 N ATOM 0 H ARG A 123 1.981 13.460 -16.243 1.00 0.00 H new ATOM 0 HA ARG A 123 2.404 11.415 -18.108 1.00 0.00 H new ATOM 0 HB2 ARG A 123 1.699 14.365 -18.475 1.00 0.00 H new ATOM 0 HB3 ARG A 123 1.560 13.156 -19.736 1.00 0.00 H new ATOM 0 HG2 ARG A 123 0.045 11.808 -18.170 1.00 0.00 H new ATOM 0 HG3 ARG A 123 0.083 13.160 -17.055 1.00 0.00 H new ATOM 0 HD2 ARG A 123 -0.788 14.661 -18.898 1.00 0.00 H new ATOM 0 HD3 ARG A 123 -0.898 13.265 -19.952 1.00 0.00 H new ATOM 0 HE ARG A 123 -2.881 12.652 -18.868 1.00 0.00 H new ATOM 0 HH11 ARG A 123 -0.910 14.762 -16.874 1.00 0.00 H new ATOM 0 HH12 ARG A 123 -2.122 14.901 -15.596 1.00 0.00 H new ATOM 0 HH21 ARG A 123 -4.431 12.838 -17.220 1.00 0.00 H new ATOM 0 HH22 ARG A 123 -4.098 13.821 -15.790 1.00 0.00 H new ATOM 1935 N GLN A 124 4.565 13.902 -18.237 1.00 0.00 N ATOM 1936 CA GLN A 124 5.859 14.299 -18.779 1.00 0.00 C ATOM 1937 C GLN A 124 6.941 13.305 -18.368 1.00 0.00 C ATOM 1938 O GLN A 124 7.840 12.994 -19.149 1.00 0.00 O ATOM 1939 CB GLN A 124 6.229 15.696 -18.278 1.00 0.00 C ATOM 1940 CG GLN A 124 7.471 16.192 -19.020 1.00 0.00 C ATOM 1941 CD GLN A 124 7.904 17.545 -18.465 1.00 0.00 C ATOM 1942 OE1 GLN A 124 7.122 18.495 -18.464 1.00 0.00 O ATOM 1943 NE2 GLN A 124 9.111 17.689 -17.990 1.00 0.00 N ATOM 0 H GLN A 124 4.176 14.547 -17.549 1.00 0.00 H new ATOM 0 HA GLN A 124 5.788 14.311 -19.867 1.00 0.00 H new ATOM 0 HB2 GLN A 124 5.398 16.383 -18.438 1.00 0.00 H new ATOM 0 HB3 GLN A 124 6.419 15.671 -17.205 1.00 0.00 H new ATOM 0 HG2 GLN A 124 8.281 15.470 -18.914 1.00 0.00 H new ATOM 0 HG3 GLN A 124 7.258 16.278 -20.086 1.00 0.00 H new ATOM 0 HE21 GLN A 124 9.757 16.900 -17.992 1.00 0.00 H new ATOM 0 HE22 GLN A 124 9.408 18.591 -17.617 1.00 0.00 H new ATOM 1952 N HIS A 125 6.845 12.811 -17.138 1.00 0.00 N ATOM 1953 CA HIS A 125 7.820 11.851 -16.634 1.00 0.00 C ATOM 1954 C HIS A 125 7.847 10.605 -17.513 1.00 0.00 C ATOM 1955 O HIS A 125 8.913 10.069 -17.816 1.00 0.00 O ATOM 1956 CB HIS A 125 7.470 11.457 -15.198 1.00 0.00 C ATOM 1957 CG HIS A 125 7.974 10.067 -14.924 1.00 0.00 C ATOM 1958 ND1 HIS A 125 7.404 8.831 -15.106 1.00 0.00 N flip ATOM 1959 CD2 HIS A 125 9.228 9.829 -14.383 1.00 0.00 C flip ATOM 1960 CE1 HIS A 125 8.287 7.841 -14.688 1.00 0.00 C flip ATOM 1961 NE2 HIS A 125 9.370 8.497 -14.262 1.00 0.00 N flip ATOM 0 H HIS A 125 6.108 13.057 -16.477 1.00 0.00 H new ATOM 0 HA HIS A 125 8.805 12.317 -16.653 1.00 0.00 H new ATOM 0 HB2 HIS A 125 7.916 12.162 -14.497 1.00 0.00 H new ATOM 0 HB3 HIS A 125 6.391 11.500 -15.050 1.00 0.00 H new ATOM 0 HD2 HIS A 125 9.958 10.577 -14.109 1.00 0.00 H new ATOM 0 HE1 HIS A 125 8.131 6.772 -14.704 1.00 0.00 H new ATOM 0 HE2 HIS A 125 10.204 8.043 -13.890 1.00 0.00 H new ATOM 1970 N GLN A 126 6.667 10.150 -17.921 1.00 0.00 N ATOM 1971 CA GLN A 126 6.565 8.961 -18.758 1.00 0.00 C ATOM 1972 C GLN A 126 7.533 9.050 -19.933 1.00 0.00 C ATOM 1973 O GLN A 126 7.897 8.034 -20.528 1.00 0.00 O ATOM 1974 CB GLN A 126 5.134 8.812 -19.281 1.00 0.00 C ATOM 1975 CG GLN A 126 4.183 8.574 -18.106 1.00 0.00 C ATOM 1976 CD GLN A 126 2.748 8.468 -18.610 1.00 0.00 C ATOM 1977 OE1 GLN A 126 2.432 8.958 -19.694 1.00 0.00 O ATOM 1978 NE2 GLN A 126 1.855 7.852 -17.885 1.00 0.00 N ATOM 0 H GLN A 126 5.774 10.583 -17.687 1.00 0.00 H new ATOM 0 HA GLN A 126 6.823 8.090 -18.155 1.00 0.00 H new ATOM 0 HB2 GLN A 126 4.839 9.709 -19.825 1.00 0.00 H new ATOM 0 HB3 GLN A 126 5.077 7.980 -19.983 1.00 0.00 H new ATOM 0 HG2 GLN A 126 4.461 7.660 -17.581 1.00 0.00 H new ATOM 0 HG3 GLN A 126 4.266 9.391 -17.389 1.00 0.00 H new ATOM 0 HE21 GLN A 126 2.119 7.447 -16.987 1.00 0.00 H new ATOM 0 HE22 GLN A 126 0.893 7.776 -18.216 1.00 0.00 H new ATOM 1987 N ALA A 127 7.944 10.269 -20.264 1.00 0.00 N ATOM 1988 CA ALA A 127 8.865 10.478 -21.375 1.00 0.00 C ATOM 1989 C ALA A 127 10.182 9.751 -21.123 1.00 0.00 C ATOM 1990 O ALA A 127 10.842 9.298 -22.058 1.00 0.00 O ATOM 1991 CB ALA A 127 9.133 11.974 -21.557 1.00 0.00 C ATOM 0 H ALA A 127 7.657 11.121 -19.783 1.00 0.00 H new ATOM 0 HA ALA A 127 8.409 10.078 -22.281 1.00 0.00 H new ATOM 0 HB1 ALA A 127 9.822 12.122 -22.389 1.00 0.00 H new ATOM 0 HB2 ALA A 127 8.195 12.489 -21.767 1.00 0.00 H new ATOM 0 HB3 ALA A 127 9.573 12.378 -20.645 1.00 0.00 H new ATOM 1997 N GLU A 128 10.556 9.641 -19.852 1.00 0.00 N ATOM 1998 CA GLU A 128 11.804 8.979 -19.487 1.00 0.00 C ATOM 1999 C GLU A 128 11.682 7.470 -19.668 1.00 0.00 C ATOM 2000 O GLU A 128 12.671 6.785 -19.927 1.00 0.00 O ATOM 2001 CB GLU A 128 12.155 9.294 -18.032 1.00 0.00 C ATOM 2002 CG GLU A 128 11.292 8.439 -17.101 1.00 0.00 C ATOM 2003 CD GLU A 128 11.953 7.083 -16.878 1.00 0.00 C ATOM 2004 OE1 GLU A 128 13.162 7.056 -16.711 1.00 0.00 O ATOM 2005 OE2 GLU A 128 11.242 6.092 -16.876 1.00 0.00 O ATOM 0 H GLU A 128 10.018 9.999 -19.063 1.00 0.00 H new ATOM 0 HA GLU A 128 12.595 9.349 -20.140 1.00 0.00 H new ATOM 0 HB2 GLU A 128 13.211 9.095 -17.851 1.00 0.00 H new ATOM 0 HB3 GLU A 128 11.990 10.352 -17.828 1.00 0.00 H new ATOM 0 HG2 GLU A 128 11.157 8.948 -16.147 1.00 0.00 H new ATOM 0 HG3 GLU A 128 10.301 8.303 -17.533 1.00 0.00 H new ATOM 2012 N LYS A 129 10.463 6.959 -19.532 1.00 0.00 N ATOM 2013 CA LYS A 129 10.224 5.528 -19.682 1.00 0.00 C ATOM 2014 C LYS A 129 10.650 5.057 -21.068 1.00 0.00 C ATOM 2015 O LYS A 129 11.216 3.973 -21.219 1.00 0.00 O ATOM 2016 CB LYS A 129 8.740 5.221 -19.471 1.00 0.00 C ATOM 2017 CG LYS A 129 8.316 5.682 -18.074 1.00 0.00 C ATOM 2018 CD LYS A 129 8.646 4.591 -17.054 1.00 0.00 C ATOM 2019 CE LYS A 129 7.467 3.622 -16.944 1.00 0.00 C ATOM 2020 NZ LYS A 129 7.835 2.492 -16.044 1.00 0.00 N ATOM 0 H LYS A 129 9.631 7.509 -19.320 1.00 0.00 H new ATOM 0 HA LYS A 129 10.814 5.000 -18.933 1.00 0.00 H new ATOM 0 HB2 LYS A 129 8.142 5.726 -20.229 1.00 0.00 H new ATOM 0 HB3 LYS A 129 8.560 4.152 -19.583 1.00 0.00 H new ATOM 0 HG2 LYS A 129 8.831 6.606 -17.813 1.00 0.00 H new ATOM 0 HG3 LYS A 129 7.248 5.897 -18.059 1.00 0.00 H new ATOM 0 HD2 LYS A 129 9.545 4.054 -17.358 1.00 0.00 H new ATOM 0 HD3 LYS A 129 8.855 5.038 -16.082 1.00 0.00 H new ATOM 0 HE2 LYS A 129 6.591 4.141 -16.554 1.00 0.00 H new ATOM 0 HE3 LYS A 129 7.200 3.243 -17.931 1.00 0.00 H new ATOM 0 HZ1 LYS A 129 7.067 2.326 -15.363 1.00 0.00 H new ATOM 0 HZ2 LYS A 129 7.988 1.633 -16.610 1.00 0.00 H new ATOM 0 HZ3 LYS A 129 8.708 2.728 -15.530 1.00 0.00 H new ATOM 2034 N ASP A 130 10.374 5.876 -22.077 1.00 0.00 N ATOM 2035 CA ASP A 130 10.734 5.532 -23.448 1.00 0.00 C ATOM 2036 C ASP A 130 10.673 6.766 -24.344 1.00 0.00 C ATOM 2037 O ASP A 130 10.092 7.785 -23.973 1.00 0.00 O ATOM 2038 CB ASP A 130 9.783 4.462 -23.985 1.00 0.00 C ATOM 2039 CG ASP A 130 10.293 3.932 -25.320 1.00 0.00 C ATOM 2040 OD1 ASP A 130 11.150 3.063 -25.302 1.00 0.00 O ATOM 2041 OD2 ASP A 130 9.822 4.404 -26.342 1.00 0.00 O ATOM 0 H ASP A 130 9.906 6.776 -21.973 1.00 0.00 H new ATOM 0 HA ASP A 130 11.753 5.146 -23.450 1.00 0.00 H new ATOM 0 HB2 ASP A 130 9.700 3.645 -23.268 1.00 0.00 H new ATOM 0 HB3 ASP A 130 8.784 4.881 -24.108 1.00 0.00 H new ATOM 2046 N LYS A 131 11.277 6.665 -25.524 1.00 0.00 N ATOM 2047 CA LYS A 131 11.285 7.779 -26.464 1.00 0.00 C ATOM 2048 C LYS A 131 11.865 7.343 -27.806 1.00 0.00 C ATOM 2049 O LYS A 131 13.011 6.923 -27.825 1.00 0.00 O ATOM 2050 CB LYS A 131 12.114 8.934 -25.898 1.00 0.00 C ATOM 2051 CG LYS A 131 11.866 10.195 -26.728 1.00 0.00 C ATOM 2052 CD LYS A 131 10.620 10.913 -26.206 1.00 0.00 C ATOM 2053 CE LYS A 131 10.441 12.236 -26.955 1.00 0.00 C ATOM 2054 NZ LYS A 131 9.250 12.952 -26.420 1.00 0.00 N ATOM 2055 OXT LYS A 131 11.156 7.435 -28.794 1.00 0.00 O ATOM 0 H LYS A 131 11.764 5.830 -25.850 1.00 0.00 H new ATOM 0 HA LYS A 131 10.258 8.110 -26.615 1.00 0.00 H new ATOM 0 HB2 LYS A 131 11.845 9.112 -24.857 1.00 0.00 H new ATOM 0 HB3 LYS A 131 13.173 8.678 -25.914 1.00 0.00 H new ATOM 0 HG2 LYS A 131 12.730 10.856 -26.671 1.00 0.00 H new ATOM 0 HG3 LYS A 131 11.734 9.932 -27.778 1.00 0.00 H new ATOM 0 HD2 LYS A 131 9.741 10.284 -26.343 1.00 0.00 H new ATOM 0 HD3 LYS A 131 10.716 11.099 -25.136 1.00 0.00 H new ATOM 0 HE2 LYS A 131 11.332 12.854 -26.841 1.00 0.00 H new ATOM 0 HE3 LYS A 131 10.317 12.049 -28.022 1.00 0.00 H new ATOM 0 HZ1 LYS A 131 9.128 13.851 -26.929 1.00 0.00 H new ATOM 0 HZ2 LYS A 131 8.403 12.363 -26.550 1.00 0.00 H new ATOM 0 HZ3 LYS A 131 9.386 13.143 -25.407 1.00 0.00 H new TER 2069 LYS A 131